----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:24:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.652323080026367 0.000000000000000 0.000000000000000 b 0.000000000000000 4.998212130000000 0.000000000000000 c -8.270591068843460 0.000000000000000 9.446741527646534 Atomic positions (fractional): *1 H 0.96996499281405 0.64778878786446 0.28669187390409 1.008 2 H 0.03003500718595 0.14778878786446 0.21330812609591 1.008 3 H 0.03003500718595 0.35221121213554 0.71330812609591 1.008 4 H 0.96996499281405 0.85221121213554 0.78669187390409 1.008 *5 H 0.48966530439314 0.23080057691435 0.28588879501739 1.008 6 H 0.51033469560686 0.73080057691435 0.21411120498261 1.008 7 H 0.51033469560686 0.76919942308565 0.71411120498261 1.008 8 H 0.48966530439314 0.26919942308565 0.78588879501739 1.008 *9 H 0.05459578551842 0.67274006581241 0.61162185380701 1.008 10 H 0.94540421448158 0.17274006581241 0.88837814619299 1.008 *11 H 0.28484081297411 0.61849484403958 0.28758073323443 1.008 12 H 0.71515918702589 0.11849484403958 0.21241926676557 1.008 13 H 0.71515918702589 0.38150515596042 0.71241926676557 1.008 14 H 0.28484081297411 0.88150515596042 0.78758073323443 1.008 *15 H 0.32044509641287 0.02533311045023 0.39801966742479 1.008 16 H 0.67955490358713 0.52533311045023 0.10198033257521 1.008 17 H 0.67955490358713 0.97466688954977 0.60198033257521 1.008 18 H 0.32044509641287 0.47466688954977 0.89801966742479 1.008 *19 H 0.79846183564021 0.63989718073199 0.37718625582111 1.008 20 H 0.20153816435979 0.13989718073199 0.12281374417889 1.008 21 H 0.20153816435979 0.36010281926801 0.62281374417889 1.008 22 H 0.79846183564021 0.86010281926801 0.87718625582111 1.008 23 H 0.94540421448158 0.32725993418759 0.38837814619299 1.008 24 H 0.05459578551842 0.82725993418759 0.11162185380701 1.008 *25 O 0.59156270715313 0.27332116384655 0.89188577464314 15.999 26 O 0.40843729284687 0.77332116384655 0.60811422535686 15.999 27 O 0.40843729284687 0.72667883615345 0.10811422535686 15.999 28 O 0.59156270715313 0.22667883615345 0.39188577464314 15.999 *29 O 0.06258274502820 0.86868682954816 0.89288055551205 15.999 30 O 0.93741725497180 0.36868682954816 0.60711944448795 15.999 31 O 0.93741725497180 0.13131317045185 0.10711944448796 15.999 32 O 0.06258274502820 0.63131317045184 0.39288055551204 15.999 *33 O 0.09049209969155 0.86132229995676 0.60959506208947 15.999 34 O 0.90950790030845 0.36132229995676 0.89040493791053 15.999 *35 O 0.38724842170962 0.64098212201628 0.39283234930103 15.999 36 O 0.61275157829038 0.14098212201628 0.10716765069897 15.999 37 O 0.61275157829038 0.35901787798372 0.60716765069896 15.999 38 O 0.38724842170962 0.85901787798372 0.89283234930104 15.999 *39 O 0.22238350701769 0.14003470682828 0.39322481844374 15.999 40 O 0.77761649298231 0.64003470682828 0.10677518155626 15.999 41 O 0.77761649298231 0.85996529317172 0.60677518155626 15.999 42 O 0.22238350701769 0.35996529317172 0.89322481844374 15.999 *43 O 0.70488326395458 0.72606017790479 0.38554780053251 15.999 44 O 0.29511673604542 0.22606017790479 0.11445219946749 15.999 45 O 0.29511673604542 0.27393982209521 0.61445219946749 15.999 46 O 0.70488326395458 0.77393982209521 0.88554780053251 15.999 47 O 0.90950790030845 0.13867770004324 0.39040493791053 15.999 48 O 0.09049209969155 0.63867770004324 0.10959506208947 15.999 *49 Al 0.66191811200442 0.53334849248284 0.49810288262164 26.982 50 Al 0.33808188799558 0.03334849248284 0.00189711737836 26.982 51 Al 0.33808188799558 0.46665150751716 0.50189711737836 26.982 52 Al 0.66191811200442 0.96665150751716 0.99810288262164 26.982 *53 Al 0.83251130052180 0.04243326999933 0.49826471704823 26.982 54 Al 0.16748869947820 0.54243326999934 0.00173528295177 26.982 55 Al 0.16748869947820 0.95756673000066 0.50173528295177 26.982 56 Al 0.83251130052180 0.45756673000067 0.99826471704823 26.982 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.652323080026367 0.000000000000000 0.000000000000000 b 0.000000000000000 4.998212130000000 0.000000000000000 c -8.270591068843460 0.000000000000000 9.446741527646534 Atomic positions (fractional): *1 H 0.96996499281405 0.64778878786446 0.28669187390409 1.008 > 1 2 H 0.03003500718595 0.14778878786446 0.21330812609591 1.008 > 2 3 H 0.03003500718595 0.35221121213554 0.71330812609591 1.008 > 3 4 H 0.96996499281405 0.85221121213554 0.78669187390409 1.008 > 4 *5 H 0.48966530439314 0.23080057691435 0.28588879501739 1.008 > 5 6 H 0.51033469560686 0.73080057691435 0.21411120498261 1.008 > 6 7 H 0.51033469560686 0.76919942308565 0.71411120498261 1.008 > 7 8 H 0.48966530439314 0.26919942308565 0.78588879501739 1.008 > 8 *9 H 0.05459578551842 0.67274006581241 0.61162185380701 1.008 > 9 10 H 0.94540421448158 0.17274006581241 0.88837814619299 1.008 > 10 *11 H 0.28484081297411 0.61849484403958 0.28758073323443 1.008 > 11 12 H 0.71515918702589 0.11849484403958 0.21241926676557 1.008 > 12 13 H 0.71515918702589 0.38150515596042 0.71241926676557 1.008 > 13 14 H 0.28484081297411 0.88150515596042 0.78758073323443 1.008 > 14 *15 H 0.32044509641287 0.02533311045023 0.39801966742479 1.008 > 15 16 H 0.67955490358713 0.52533311045023 0.10198033257521 1.008 > 16 17 H 0.67955490358713 0.97466688954977 0.60198033257521 1.008 > 17 18 H 0.32044509641287 0.47466688954977 0.89801966742479 1.008 > 18 *19 H 0.79846183564021 0.63989718073199 0.37718625582111 1.008 > 19 20 H 0.20153816435979 0.13989718073199 0.12281374417889 1.008 > 20 21 H 0.20153816435979 0.36010281926801 0.62281374417889 1.008 > 21 22 H 0.79846183564021 0.86010281926801 0.87718625582111 1.008 > 22 23 H 0.94540421448158 0.32725993418759 0.38837814619299 1.008 > 23 24 H 0.05459578551842 0.82725993418759 0.11162185380701 1.008 > 24 *25 O 0.59156270715313 0.27332116384655 0.89188577464314 15.999 > 25 26 O 0.40843729284687 0.77332116384655 0.60811422535686 15.999 > 26 27 O 0.40843729284687 0.72667883615345 0.10811422535686 15.999 > 27 28 O 0.59156270715313 0.22667883615345 0.39188577464314 15.999 > 28 *29 O 0.06258274502820 0.86868682954816 0.89288055551205 15.999 > 29 30 O 0.93741725497180 0.36868682954816 0.60711944448795 15.999 > 30 31 O 0.93741725497180 0.13131317045185 0.10711944448796 15.999 > 31 32 O 0.06258274502820 0.63131317045184 0.39288055551204 15.999 > 32 *33 O 0.09049209969155 0.86132229995676 0.60959506208947 15.999 > 33 34 O 0.90950790030845 0.36132229995676 0.89040493791053 15.999 > 34 *35 O 0.38724842170962 0.64098212201628 0.39283234930103 15.999 > 35 36 O 0.61275157829038 0.14098212201628 0.10716765069897 15.999 > 36 37 O 0.61275157829038 0.35901787798372 0.60716765069896 15.999 > 37 38 O 0.38724842170962 0.85901787798372 0.89283234930104 15.999 > 38 *39 O 0.22238350701769 0.14003470682828 0.39322481844374 15.999 > 39 40 O 0.77761649298231 0.64003470682828 0.10677518155626 15.999 > 40 41 O 0.77761649298231 0.85996529317172 0.60677518155626 15.999 > 41 42 O 0.22238350701769 0.35996529317172 0.89322481844374 15.999 > 42 *43 O 0.70488326395458 0.72606017790479 0.38554780053251 15.999 > 43 44 O 0.29511673604542 0.22606017790479 0.11445219946749 15.999 > 44 45 O 0.29511673604542 0.27393982209521 0.61445219946749 15.999 > 45 46 O 0.70488326395458 0.77393982209521 0.88554780053251 15.999 > 46 47 O 0.90950790030845 0.13867770004324 0.39040493791053 15.999 > 47 48 O 0.09049209969155 0.63867770004324 0.10959506208947 15.999 > 48 *49 Al 0.66191811200442 0.53334849248284 0.49810288262164 26.982 > 49 50 Al 0.33808188799558 0.03334849248284 0.00189711737836 26.982 > 50 51 Al 0.33808188799558 0.46665150751716 0.50189711737836 26.982 > 51 52 Al 0.66191811200442 0.96665150751716 0.99810288262164 26.982 > 52 *53 Al 0.83251130052180 0.04243326999933 0.49826471704823 26.982 > 53 54 Al 0.16748869947820 0.54243326999934 0.00173528295177 26.982 > 54 55 Al 0.16748869947820 0.95756673000066 0.50173528295177 26.982 > 55 56 Al 0.83251130052180 0.45756673000067 0.99826471704823 26.982 > 56 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.652323080026367 0.000000000000000 0.000000000000000 b 0.000000000000000 9.996424260000000 0.000000000000000 c -8.270591068843460 0.000000000000000 9.446741527646534 Atomic positions (fractional): *1 H 0.96996499281405 0.32389439393223 0.28669187390409 1.008 > 1 2 H 0.96996499281405 0.82389439393223 0.28669187390409 1.008 > 1 3 H 0.03003500718595 0.07389439393223 0.21330812609591 1.008 > 2 4 H 0.03003500718595 0.57389439393223 0.21330812609591 1.008 > 2 5 H 0.03003500718595 0.17610560606777 0.71330812609591 1.008 > 3 6 H 0.03003500718595 0.67610560606777 0.71330812609591 1.008 > 3 7 H 0.96996499281405 0.42610560606777 0.78669187390409 1.008 > 4 8 H 0.96996499281405 0.92610560606777 0.78669187390409 1.008 > 4 *9 H 0.48966530439314 0.11540028845717 0.28588879501739 1.008 > 5 10 H 0.48966530439314 0.61540028845717 0.28588879501739 1.008 > 5 11 H 0.51033469560686 0.36540028845717 0.21411120498261 1.008 > 6 12 H 0.51033469560686 0.86540028845717 0.21411120498261 1.008 > 6 13 H 0.51033469560686 0.38459971154283 0.71411120498261 1.008 > 7 14 H 0.51033469560686 0.88459971154283 0.71411120498261 1.008 > 7 15 H 0.48966530439314 0.13459971154283 0.78588879501739 1.008 > 8 16 H 0.48966530439314 0.63459971154283 0.78588879501739 1.008 > 8 *17 H 0.05459578551842 0.33637003290621 0.61162185380701 1.008 > 9 18 H 0.05459578551842 0.83637003290621 0.61162185380701 1.008 > 9 19 H 0.94540421448158 0.08637003290621 0.88837814619299 1.008 > 10 20 H 0.94540421448158 0.58637003290621 0.88837814619299 1.008 > 10 *21 H 0.28484081297411 0.30924742201979 0.28758073323443 1.008 > 11 22 H 0.28484081297411 0.80924742201979 0.28758073323443 1.008 > 11 23 H 0.71515918702589 0.05924742201979 0.21241926676557 1.008 > 12 24 H 0.71515918702589 0.55924742201979 0.21241926676557 1.008 > 12 25 H 0.71515918702589 0.19075257798021 0.71241926676557 1.008 > 13 26 H 0.71515918702589 0.69075257798021 0.71241926676557 1.008 > 13 27 H 0.28484081297411 0.44075257798021 0.78758073323443 1.008 > 14 28 H 0.28484081297411 0.94075257798021 0.78758073323443 1.008 > 14 *29 H 0.32044509641287 0.01266655522511 0.39801966742479 1.008 > 15 30 H 0.32044509641287 0.51266655522511 0.39801966742479 1.008 > 15 31 H 0.67955490358713 0.26266655522511 0.10198033257521 1.008 > 16 32 H 0.67955490358713 0.76266655522511 0.10198033257521 1.008 > 16 33 H 0.67955490358713 0.48733344477489 0.60198033257521 1.008 > 17 34 H 0.67955490358713 0.98733344477489 0.60198033257521 1.008 > 17 35 H 0.32044509641287 0.23733344477489 0.89801966742479 1.008 > 18 36 H 0.32044509641287 0.73733344477489 0.89801966742479 1.008 > 18 *37 H 0.79846183564021 0.31994859036600 0.37718625582111 1.008 > 19 38 H 0.79846183564021 0.81994859036600 0.37718625582111 1.008 > 19 39 H 0.20153816435979 0.06994859036600 0.12281374417889 1.008 > 20 40 H 0.20153816435979 0.56994859036600 0.12281374417889 1.008 > 20 41 H 0.20153816435979 0.18005140963400 0.62281374417889 1.008 > 21 42 H 0.20153816435979 0.68005140963400 0.62281374417889 1.008 > 21 43 H 0.79846183564021 0.43005140963400 0.87718625582111 1.008 > 22 44 H 0.79846183564021 0.93005140963400 0.87718625582111 1.008 > 22 45 H 0.94540421448158 0.16362996709379 0.38837814619299 1.008 > 23 46 H 0.94540421448158 0.66362996709379 0.38837814619299 1.008 > 23 47 H 0.05459578551842 0.41362996709379 0.11162185380701 1.008 > 24 48 H 0.05459578551842 0.91362996709379 0.11162185380701 1.008 > 24 *49 O 0.59156270715313 0.13666058192328 0.89188577464314 15.999 > 25 50 O 0.59156270715313 0.63666058192328 0.89188577464314 15.999 > 25 51 O 0.40843729284687 0.38666058192328 0.60811422535686 15.999 > 26 52 O 0.40843729284687 0.88666058192328 0.60811422535686 15.999 > 26 53 O 0.40843729284687 0.36333941807672 0.10811422535686 15.999 > 27 54 O 0.40843729284687 0.86333941807672 0.10811422535686 15.999 > 27 55 O 0.59156270715313 0.11333941807672 0.39188577464314 15.999 > 28 56 O 0.59156270715313 0.61333941807672 0.39188577464314 15.999 > 28 *57 O 0.06258274502820 0.43434341477408 0.89288055551205 15.999 > 29 58 O 0.06258274502820 0.93434341477408 0.89288055551205 15.999 > 29 59 O 0.93741725497180 0.18434341477408 0.60711944448795 15.999 > 30 60 O 0.93741725497180 0.68434341477408 0.60711944448795 15.999 > 30 61 O 0.93741725497180 0.06565658522592 0.10711944448796 15.999 > 31 62 O 0.93741725497180 0.56565658522592 0.10711944448796 15.999 > 31 63 O 0.06258274502820 0.31565658522592 0.39288055551204 15.999 > 32 64 O 0.06258274502820 0.81565658522592 0.39288055551204 15.999 > 32 *65 O 0.09049209969155 0.43066114997838 0.60959506208947 15.999 > 33 66 O 0.09049209969155 0.93066114997838 0.60959506208947 15.999 > 33 67 O 0.90950790030845 0.18066114997838 0.89040493791053 15.999 > 34 68 O 0.90950790030845 0.68066114997838 0.89040493791053 15.999 > 34 *69 O 0.38724842170962 0.32049106100814 0.39283234930103 15.999 > 35 70 O 0.38724842170962 0.82049106100814 0.39283234930103 15.999 > 35 71 O 0.61275157829038 0.07049106100814 0.10716765069897 15.999 > 36 72 O 0.61275157829038 0.57049106100814 0.10716765069897 15.999 > 36 73 O 0.61275157829038 0.17950893899186 0.60716765069896 15.999 > 37 74 O 0.61275157829038 0.67950893899186 0.60716765069896 15.999 > 37 75 O 0.38724842170962 0.42950893899186 0.89283234930104 15.999 > 38 76 O 0.38724842170962 0.92950893899186 0.89283234930104 15.999 > 38 *77 O 0.22238350701769 0.07001735341414 0.39322481844374 15.999 > 39 78 O 0.22238350701769 0.57001735341414 0.39322481844374 15.999 > 39 79 O 0.77761649298231 0.32001735341414 0.10677518155626 15.999 > 40 80 O 0.77761649298231 0.82001735341414 0.10677518155626 15.999 > 40 81 O 0.77761649298231 0.42998264658586 0.60677518155626 15.999 > 41 82 O 0.77761649298231 0.92998264658586 0.60677518155626 15.999 > 41 83 O 0.22238350701769 0.17998264658586 0.89322481844374 15.999 > 42 84 O 0.22238350701769 0.67998264658586 0.89322481844374 15.999 > 42 *85 O 0.70488326395458 0.36303008895240 0.38554780053251 15.999 > 43 86 O 0.70488326395458 0.86303008895240 0.38554780053251 15.999 > 43 87 O 0.29511673604542 0.11303008895240 0.11445219946749 15.999 > 44 88 O 0.29511673604542 0.61303008895240 0.11445219946749 15.999 > 44 89 O 0.29511673604542 0.13696991104760 0.61445219946749 15.999 > 45 90 O 0.29511673604542 0.63696991104760 0.61445219946749 15.999 > 45 91 O 0.70488326395458 0.38696991104760 0.88554780053251 15.999 > 46 92 O 0.70488326395458 0.88696991104760 0.88554780053251 15.999 > 46 93 O 0.90950790030845 0.06933885002162 0.39040493791053 15.999 > 47 94 O 0.90950790030845 0.56933885002162 0.39040493791053 15.999 > 47 95 O 0.09049209969155 0.31933885002162 0.10959506208947 15.999 > 48 96 O 0.09049209969155 0.81933885002162 0.10959506208947 15.999 > 48 *97 Al 0.66191811200442 0.26667424624142 0.49810288262164 26.982 > 49 98 Al 0.66191811200442 0.76667424624142 0.49810288262164 26.982 > 49 99 Al 0.33808188799558 0.01667424624142 0.00189711737836 26.982 > 50 100 Al 0.33808188799558 0.51667424624142 0.00189711737836 26.982 > 50 101 Al 0.33808188799558 0.23332575375858 0.50189711737836 26.982 > 51 102 Al 0.33808188799558 0.73332575375858 0.50189711737836 26.982 > 51 103 Al 0.66191811200442 0.48332575375858 0.99810288262164 26.982 > 52 104 Al 0.66191811200442 0.98332575375858 0.99810288262164 26.982 > 52 *105 Al 0.83251130052180 0.02121663499967 0.49826471704823 26.982 > 53 106 Al 0.83251130052180 0.52121663499967 0.49826471704823 26.982 > 53 107 Al 0.16748869947820 0.27121663499967 0.00173528295177 26.982 > 54 108 Al 0.16748869947820 0.77121663499967 0.00173528295177 26.982 > 54 109 Al 0.16748869947820 0.47878336500033 0.50173528295177 26.982 > 55 110 Al 0.16748869947820 0.97878336500033 0.50173528295177 26.982 > 55 111 Al 0.83251130052180 0.22878336500033 0.99826471704823 26.982 > 56 112 Al 0.83251130052180 0.72878336500033 0.99826471704823 26.982 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7064159 0.0000000 0.0308245 0.0000000 2.7211262 0.0000000 0.0308241 0.0000000 2.7988312 -------------------------- Born effective charges -------------------------- 1 H 0.3216878 0.0070237 0.0075382 0.0031497 0.3223171 -0.0124677 0.0410868 -0.0069045 1.3917911 2 H 0.3216878 -0.0070237 0.0075382 -0.0031497 0.3223171 0.0124677 0.0410868 0.0069045 1.3917911 3 H 0.3216878 0.0070237 0.0075382 0.0031497 0.3223171 -0.0124677 0.0410868 -0.0069045 1.3917911 4 H 0.3216878 -0.0070237 0.0075382 -0.0031497 0.3223171 0.0124677 0.0410868 0.0069045 1.3917911 5 H 0.3566000 -0.0180152 0.1898388 -0.0138712 0.3435257 0.0340179 0.1379065 0.0166469 1.4960866 6 H 0.3566000 0.0180152 0.1898388 0.0138712 0.3435257 -0.0340179 0.1379065 -0.0166469 1.4960866 7 H 0.3566000 -0.0180152 0.1898388 -0.0138712 0.3435257 0.0340179 0.1379065 0.0166469 1.4960866 8 H 0.3566000 0.0180152 0.1898388 0.0138712 0.3435257 -0.0340179 0.1379065 -0.0166469 1.4960866 9 H 0.5266093 0.3174986 0.0054733 0.2861495 0.9074875 0.0087974 0.0079549 0.0072383 0.3630760 10 H 0.5266093 -0.3174986 0.0054733 -0.2861495 0.9074875 -0.0087974 0.0079549 -0.0072383 0.3630760 11 H 0.3471843 -0.0139567 0.0847552 -0.0115911 0.3234887 -0.0498382 0.0802762 -0.0156675 1.3549863 12 H 0.3471843 0.0139567 0.0847552 0.0115911 0.3234887 0.0498382 0.0802762 0.0156675 1.3549863 13 H 0.3471843 -0.0139567 0.0847552 -0.0115911 0.3234887 -0.0498382 0.0802762 -0.0156675 1.3549863 14 H 0.3471843 0.0139567 0.0847552 0.0115911 0.3234887 0.0498382 0.0802762 0.0156675 1.3549863 15 H 0.5421937 -0.1272996 0.0067946 -0.1596926 0.7784711 0.0000401 0.0116557 -0.0061534 0.3678880 16 H 0.5421937 0.1272996 0.0067946 0.1596926 0.7784711 -0.0000401 0.0116557 0.0061534 0.3678880 17 H 0.5421937 -0.1272996 0.0067946 -0.1596926 0.7784711 0.0000401 0.0116557 -0.0061534 0.3678880 18 H 0.5421937 0.1272996 0.0067946 0.1596926 0.7784711 -0.0000401 0.0116557 0.0061534 0.3678880 19 H 0.6452826 -0.0166927 0.0303568 0.0076134 0.3989538 -0.0181799 0.0376860 -0.0099635 0.3906234 20 H 0.6452826 0.0166927 0.0303568 -0.0076134 0.3989538 0.0181799 0.0376860 0.0099635 0.3906234 21 H 0.6452826 -0.0166927 0.0303568 0.0076134 0.3989538 -0.0181799 0.0376860 -0.0099635 0.3906234 22 H 0.6452826 0.0166927 0.0303568 -0.0076134 0.3989538 0.0181799 0.0376860 0.0099635 0.3906234 23 H 0.5266093 0.3174986 0.0054733 0.2861495 0.9074875 0.0087974 0.0079549 0.0072383 0.3630760 24 H 0.5266093 -0.3174986 0.0054733 -0.2861495 0.9074875 -0.0087974 0.0079549 -0.0072383 0.3630760 25 O -1.3600682 -0.1597972 -0.2253181 -0.1718503 -1.4788136 0.0800940 -0.1735497 0.0374076 -1.9186141 26 O -1.3600682 0.1597972 -0.2253181 0.1718503 -1.4788136 -0.0800940 -0.1735497 -0.0374076 -1.9186141 27 O -1.3600682 -0.1597972 -0.2253181 -0.1718503 -1.4788136 0.0800940 -0.1735497 0.0374076 -1.9186141 28 O -1.3600682 0.1597972 -0.2253181 0.1718503 -1.4788136 -0.0800940 -0.1735497 -0.0374076 -1.9186141 29 O -1.5152434 0.0400766 -0.1949229 0.0317595 -1.6706415 0.1099089 -0.1284473 0.0673019 -1.7653713 30 O -1.5152434 -0.0400766 -0.1949229 -0.0317595 -1.6706415 -0.1099089 -0.1284473 -0.0673019 -1.7653713 31 O -1.5152434 0.0400766 -0.1949229 0.0317595 -1.6706415 0.1099089 -0.1284473 0.0673019 -1.7653713 32 O -1.5152434 -0.0400766 -0.1949229 -0.0317595 -1.6706415 -0.1099089 -0.1284473 -0.0673019 -1.7653713 33 O -1.5320013 -0.1432380 0.0192032 -0.0948954 -1.5030802 0.1601479 -0.0525060 0.1405259 -1.6666972 34 O -1.5320013 0.1432380 0.0192032 0.0948954 -1.5030802 -0.1601479 -0.0525060 -0.1405259 -1.6666972 35 O -1.6069341 0.0862778 -0.1078789 0.0041261 -1.3552535 0.1838021 -0.0620373 0.1352245 -1.7871947 36 O -1.6069341 -0.0862778 -0.1078789 -0.0041261 -1.3552535 -0.1838021 -0.0620373 -0.1352245 -1.7871947 37 O -1.6069341 0.0862778 -0.1078789 0.0041261 -1.3552535 0.1838021 -0.0620373 0.1352245 -1.7871947 38 O -1.6069341 -0.0862778 -0.1078789 -0.0041261 -1.3552535 -0.1838021 -0.0620373 -0.1352245 -1.7871947 39 O -1.3333318 -0.0852551 0.1319415 -0.0014462 -1.6141179 -0.0967839 0.1203682 -0.0853054 -1.6310033 40 O -1.3333318 0.0852551 0.1319415 0.0014462 -1.6141179 0.0967839 0.1203682 0.0853054 -1.6310033 41 O -1.3333318 -0.0852551 0.1319415 -0.0014462 -1.6141179 -0.0967839 0.1203682 -0.0853054 -1.6310033 42 O -1.3333318 0.0852551 0.1319415 0.0014462 -1.6141179 0.0967839 0.1203682 0.0853054 -1.6310033 43 O -1.3025943 -0.1368792 0.0390964 -0.1800657 -1.3500190 -0.0422090 0.0070670 -0.0845150 -1.7262765 44 O -1.3025943 0.1368792 0.0390964 0.1800657 -1.3500190 0.0422090 0.0070670 0.0845150 -1.7262765 45 O -1.3025943 -0.1368792 0.0390964 -0.1800657 -1.3500190 -0.0422090 0.0070670 -0.0845150 -1.7262765 46 O -1.3025943 0.1368792 0.0390964 0.1800657 -1.3500190 0.0422090 0.0070670 0.0845150 -1.7262765 47 O -1.5320013 -0.1432380 0.0192032 -0.0948954 -1.5030802 0.1601479 -0.0525060 0.1405259 -1.6666972 48 O -1.5320013 0.1432380 0.0192032 0.0948954 -1.5030802 -0.1601479 -0.0525060 -0.1405259 -1.6666972 49 Al 3.0438653 -0.0184877 0.0686228 0.0648934 2.8849663 0.0114235 0.0094539 0.0224268 2.5896887 50 Al 3.0438653 0.0184877 0.0686228 -0.0648934 2.8849663 -0.0114235 0.0094539 -0.0224268 2.5896887 51 Al 3.0438653 -0.0184877 0.0686228 0.0648934 2.8849663 0.0114235 0.0094539 0.0224268 2.5896887 52 Al 3.0438653 0.0184877 0.0686228 -0.0648934 2.8849663 -0.0114235 0.0094539 -0.0224268 2.5896887 53 Al 2.8667502 -0.0057546 -0.0555009 -0.0763063 3.0127157 -0.0082219 -0.0369149 -0.0206198 2.5410170 54 Al 2.8667502 0.0057546 -0.0555009 0.0763063 3.0127157 0.0082219 -0.0369149 0.0206198 2.5410170 55 Al 2.8667502 -0.0057546 -0.0555009 -0.0763063 3.0127157 -0.0082219 -0.0369149 -0.0206198 2.5410170 56 Al 2.8667502 0.0057546 -0.0555009 0.0763063 3.0127157 0.0082219 -0.0369149 0.0206198 2.5410170 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7182 Number of blocks in projector: 7182 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 227 eigenvectors found. (2) Block: 568 / 568 (2) 50 eigenvectors found. (2) Complementary block size: 59 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 227 eigenvectors found. (2) Block: 568 / 568 (2) 50 eigenvectors found. (2) Complementary block size: 59 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7182, 7057), data: False |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 31), data: (568, 59) @ (59, 31) |-- (68, 50), data: True |-- (250, 227), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 31), data: (568, 59) @ (59, 31) |-- (68, 50), data: True |-- (250, 227), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1680 - Time: 3.542 Solver_block: 200 / 1680 - Time: 3.498 Solver_block: 300 / 1680 - Time: 2.958 Solver_block: 400 / 1680 - Time: 3.058 Solver_block: 500 / 1680 - Time: 2.885 Solver_block: 600 / 1680 - Time: 3.327 Solver_block: 700 / 1680 - Time: 2.743 Solver_block: 800 / 1680 - Time: 2.630 Solver_block: 900 / 1680 - Time: 3.639 Solver_block: 1000 / 1680 - Time: 3.007 Solver_block: 1100 / 1680 - Time: 3.340 Solver_block: 1200 / 1680 - Time: 3.550 Solver_block: 1300 / 1680 - Time: 3.346 Solver_block: 1400 / 1680 - Time: 3.519 Solver_block: 1500 / 1680 - Time: 3.535 Solver_block: 1600 / 1680 - Time: 3.078 Solver_block: 1680 / 1680 - Time: 1.674 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 54.803 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7182 Number of blocks in projector: 7182 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 227 eigenvectors found. (2) Block: 568 / 568 (2) 50 eigenvectors found. (2) Complementary block size: 59 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 232 eigenvectors found. (2) Block: 500 / 568 (2) 227 eigenvectors found. (2) Block: 568 / 568 (2) 50 eigenvectors found. (2) Complementary block size: 59 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7182, 7057), data: False |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 31), data: (568, 59) @ (59, 31) |-- (68, 50), data: True |-- (250, 227), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 540), data: False |-- (568, 31), data: (568, 59) @ (59, 31) |-- (68, 50), data: True |-- (250, 227), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:27:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:27:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.652323080026367 0.000000000000000 0.000000000000000 b 0.000000000000000 4.998212130000000 0.000000000000000 c -8.270591068843460 0.000000000000000 9.446741527646534 Atomic positions (fractional): 1 H 0.96996499281405 0.64778878786446 0.28669187390409 1.008 2 H 0.03003500718595 0.14778878786446 0.21330812609591 1.008 3 H 0.03003500718595 0.35221121213554 0.71330812609591 1.008 4 H 0.96996499281405 0.85221121213554 0.78669187390409 1.008 5 H 0.48966530439314 0.23080057691435 0.28588879501739 1.008 6 H 0.51033469560686 0.73080057691435 0.21411120498261 1.008 7 H 0.51033469560686 0.76919942308565 0.71411120498261 1.008 8 H 0.48966530439314 0.26919942308565 0.78588879501739 1.008 9 H 0.05459578551842 0.67274006581241 0.61162185380701 1.008 10 H 0.94540421448158 0.17274006581241 0.88837814619299 1.008 11 H 0.28484081297411 0.61849484403958 0.28758073323443 1.008 12 H 0.71515918702589 0.11849484403958 0.21241926676557 1.008 13 H 0.71515918702589 0.38150515596042 0.71241926676557 1.008 14 H 0.28484081297411 0.88150515596042 0.78758073323443 1.008 15 H 0.32044509641287 0.02533311045023 0.39801966742479 1.008 16 H 0.67955490358713 0.52533311045023 0.10198033257521 1.008 17 H 0.67955490358713 0.97466688954977 0.60198033257521 1.008 18 H 0.32044509641287 0.47466688954977 0.89801966742479 1.008 19 H 0.79846183564021 0.63989718073199 0.37718625582111 1.008 20 H 0.20153816435979 0.13989718073199 0.12281374417889 1.008 21 H 0.20153816435979 0.36010281926801 0.62281374417889 1.008 22 H 0.79846183564021 0.86010281926801 0.87718625582111 1.008 23 H 0.94540421448158 0.32725993418759 0.38837814619299 1.008 24 H 0.05459578551842 0.82725993418759 0.11162185380701 1.008 25 O 0.59156270715313 0.27332116384655 0.89188577464314 15.999 26 O 0.40843729284687 0.77332116384655 0.60811422535686 15.999 27 O 0.40843729284687 0.72667883615345 0.10811422535686 15.999 28 O 0.59156270715313 0.22667883615345 0.39188577464314 15.999 29 O 0.06258274502820 0.86868682954816 0.89288055551205 15.999 30 O 0.93741725497180 0.36868682954816 0.60711944448795 15.999 31 O 0.93741725497180 0.13131317045185 0.10711944448796 15.999 32 O 0.06258274502820 0.63131317045184 0.39288055551204 15.999 33 O 0.09049209969155 0.86132229995676 0.60959506208947 15.999 34 O 0.90950790030845 0.36132229995676 0.89040493791053 15.999 35 O 0.38724842170962 0.64098212201628 0.39283234930103 15.999 36 O 0.61275157829038 0.14098212201628 0.10716765069897 15.999 37 O 0.61275157829038 0.35901787798372 0.60716765069896 15.999 38 O 0.38724842170962 0.85901787798372 0.89283234930104 15.999 39 O 0.22238350701769 0.14003470682828 0.39322481844374 15.999 40 O 0.77761649298231 0.64003470682828 0.10677518155626 15.999 41 O 0.77761649298231 0.85996529317172 0.60677518155626 15.999 42 O 0.22238350701769 0.35996529317172 0.89322481844374 15.999 43 O 0.70488326395458 0.72606017790479 0.38554780053251 15.999 44 O 0.29511673604542 0.22606017790479 0.11445219946749 15.999 45 O 0.29511673604542 0.27393982209521 0.61445219946749 15.999 46 O 0.70488326395458 0.77393982209521 0.88554780053251 15.999 47 O 0.90950790030845 0.13867770004324 0.39040493791053 15.999 48 O 0.09049209969155 0.63867770004324 0.10959506208947 15.999 49 Al 0.66191811200442 0.53334849248284 0.49810288262164 26.982 50 Al 0.33808188799558 0.03334849248284 0.00189711737836 26.982 51 Al 0.33808188799558 0.46665150751716 0.50189711737836 26.982 52 Al 0.66191811200442 0.96665150751716 0.99810288262164 26.982 53 Al 0.83251130052180 0.04243326999933 0.49826471704823 26.982 54 Al 0.16748869947820 0.54243326999934 0.00173528295177 26.982 55 Al 0.16748869947820 0.95756673000066 0.50173528295177 26.982 56 Al 0.83251130052180 0.45756673000067 0.99826471704823 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.652323080026367 0.000000000000000 0.000000000000000 b 0.000000000000000 9.996424260000000 0.000000000000000 c -8.270591068843460 0.000000000000000 9.446741527646534 Atomic positions (fractional): 1 H 0.96996499281405 0.32389439393223 0.28669187390409 1.008 > 1 2 H 0.96996499281405 0.82389439393223 0.28669187390409 1.008 > 1 3 H 0.03003500718595 0.07389439393223 0.21330812609591 1.008 > 3 4 H 0.03003500718595 0.57389439393223 0.21330812609591 1.008 > 3 5 H 0.03003500718595 0.17610560606777 0.71330812609591 1.008 > 5 6 H 0.03003500718595 0.67610560606777 0.71330812609591 1.008 > 5 7 H 0.96996499281405 0.42610560606777 0.78669187390409 1.008 > 7 8 H 0.96996499281405 0.92610560606777 0.78669187390409 1.008 > 7 9 H 0.48966530439314 0.11540028845717 0.28588879501739 1.008 > 9 10 H 0.48966530439314 0.61540028845717 0.28588879501739 1.008 > 9 11 H 0.51033469560686 0.36540028845717 0.21411120498261 1.008 > 11 12 H 0.51033469560686 0.86540028845717 0.21411120498261 1.008 > 11 13 H 0.51033469560686 0.38459971154283 0.71411120498261 1.008 > 13 14 H 0.51033469560686 0.88459971154283 0.71411120498261 1.008 > 13 15 H 0.48966530439314 0.13459971154283 0.78588879501739 1.008 > 15 16 H 0.48966530439314 0.63459971154283 0.78588879501739 1.008 > 15 17 H 0.05459578551842 0.33637003290621 0.61162185380701 1.008 > 17 18 H 0.05459578551842 0.83637003290621 0.61162185380701 1.008 > 17 19 H 0.94540421448158 0.08637003290621 0.88837814619299 1.008 > 19 20 H 0.94540421448158 0.58637003290621 0.88837814619299 1.008 > 19 21 H 0.28484081297411 0.30924742201979 0.28758073323443 1.008 > 21 22 H 0.28484081297411 0.80924742201979 0.28758073323443 1.008 > 21 23 H 0.71515918702589 0.05924742201979 0.21241926676557 1.008 > 23 24 H 0.71515918702589 0.55924742201979 0.21241926676557 1.008 > 23 25 H 0.71515918702589 0.19075257798021 0.71241926676557 1.008 > 25 26 H 0.71515918702589 0.69075257798021 0.71241926676557 1.008 > 25 27 H 0.28484081297411 0.44075257798021 0.78758073323443 1.008 > 27 28 H 0.28484081297411 0.94075257798021 0.78758073323443 1.008 > 27 29 H 0.32044509641287 0.01266655522511 0.39801966742479 1.008 > 29 30 H 0.32044509641287 0.51266655522511 0.39801966742479 1.008 > 29 31 H 0.67955490358713 0.26266655522511 0.10198033257521 1.008 > 31 32 H 0.67955490358713 0.76266655522511 0.10198033257521 1.008 > 31 33 H 0.67955490358713 0.48733344477489 0.60198033257521 1.008 > 33 34 H 0.67955490358713 0.98733344477489 0.60198033257521 1.008 > 33 35 H 0.32044509641287 0.23733344477489 0.89801966742479 1.008 > 35 36 H 0.32044509641287 0.73733344477489 0.89801966742479 1.008 > 35 37 H 0.79846183564021 0.31994859036600 0.37718625582111 1.008 > 37 38 H 0.79846183564021 0.81994859036600 0.37718625582111 1.008 > 37 39 H 0.20153816435979 0.06994859036600 0.12281374417889 1.008 > 39 40 H 0.20153816435979 0.56994859036600 0.12281374417889 1.008 > 39 41 H 0.20153816435979 0.18005140963400 0.62281374417889 1.008 > 41 42 H 0.20153816435979 0.68005140963400 0.62281374417889 1.008 > 41 43 H 0.79846183564021 0.43005140963400 0.87718625582111 1.008 > 43 44 H 0.79846183564021 0.93005140963400 0.87718625582111 1.008 > 43 45 H 0.94540421448158 0.16362996709379 0.38837814619299 1.008 > 45 46 H 0.94540421448158 0.66362996709379 0.38837814619299 1.008 > 45 47 H 0.05459578551842 0.41362996709379 0.11162185380701 1.008 > 47 48 H 0.05459578551842 0.91362996709379 0.11162185380701 1.008 > 47 49 O 0.59156270715313 0.13666058192328 0.89188577464314 15.999 > 49 50 O 0.59156270715313 0.63666058192328 0.89188577464314 15.999 > 49 51 O 0.40843729284687 0.38666058192328 0.60811422535686 15.999 > 51 52 O 0.40843729284687 0.88666058192328 0.60811422535686 15.999 > 51 53 O 0.40843729284687 0.36333941807672 0.10811422535686 15.999 > 53 54 O 0.40843729284687 0.86333941807672 0.10811422535686 15.999 > 53 55 O 0.59156270715313 0.11333941807672 0.39188577464314 15.999 > 55 56 O 0.59156270715313 0.61333941807672 0.39188577464314 15.999 > 55 57 O 0.06258274502820 0.43434341477408 0.89288055551205 15.999 > 57 58 O 0.06258274502820 0.93434341477408 0.89288055551205 15.999 > 57 59 O 0.93741725497180 0.18434341477408 0.60711944448795 15.999 > 59 60 O 0.93741725497180 0.68434341477408 0.60711944448795 15.999 > 59 61 O 0.93741725497180 0.06565658522592 0.10711944448796 15.999 > 61 62 O 0.93741725497180 0.56565658522592 0.10711944448796 15.999 > 61 63 O 0.06258274502820 0.31565658522592 0.39288055551204 15.999 > 63 64 O 0.06258274502820 0.81565658522592 0.39288055551204 15.999 > 63 65 O 0.09049209969155 0.43066114997838 0.60959506208947 15.999 > 65 66 O 0.09049209969155 0.93066114997838 0.60959506208947 15.999 > 65 67 O 0.90950790030845 0.18066114997838 0.89040493791053 15.999 > 67 68 O 0.90950790030845 0.68066114997838 0.89040493791053 15.999 > 67 69 O 0.38724842170962 0.32049106100814 0.39283234930103 15.999 > 69 70 O 0.38724842170962 0.82049106100814 0.39283234930103 15.999 > 69 71 O 0.61275157829038 0.07049106100814 0.10716765069897 15.999 > 71 72 O 0.61275157829038 0.57049106100814 0.10716765069897 15.999 > 71 73 O 0.61275157829038 0.17950893899186 0.60716765069896 15.999 > 73 74 O 0.61275157829038 0.67950893899186 0.60716765069896 15.999 > 73 75 O 0.38724842170962 0.42950893899186 0.89283234930104 15.999 > 75 76 O 0.38724842170962 0.92950893899186 0.89283234930104 15.999 > 75 77 O 0.22238350701769 0.07001735341414 0.39322481844374 15.999 > 77 78 O 0.22238350701769 0.57001735341414 0.39322481844374 15.999 > 77 79 O 0.77761649298231 0.32001735341414 0.10677518155626 15.999 > 79 80 O 0.77761649298231 0.82001735341414 0.10677518155626 15.999 > 79 81 O 0.77761649298231 0.42998264658586 0.60677518155626 15.999 > 81 82 O 0.77761649298231 0.92998264658586 0.60677518155626 15.999 > 81 83 O 0.22238350701769 0.17998264658586 0.89322481844374 15.999 > 83 84 O 0.22238350701769 0.67998264658586 0.89322481844374 15.999 > 83 85 O 0.70488326395458 0.36303008895240 0.38554780053251 15.999 > 85 86 O 0.70488326395458 0.86303008895240 0.38554780053251 15.999 > 85 87 O 0.29511673604542 0.11303008895240 0.11445219946749 15.999 > 87 88 O 0.29511673604542 0.61303008895240 0.11445219946749 15.999 > 87 89 O 0.29511673604542 0.13696991104760 0.61445219946749 15.999 > 89 90 O 0.29511673604542 0.63696991104760 0.61445219946749 15.999 > 89 91 O 0.70488326395458 0.38696991104760 0.88554780053251 15.999 > 91 92 O 0.70488326395458 0.88696991104760 0.88554780053251 15.999 > 91 93 O 0.90950790030845 0.06933885002162 0.39040493791053 15.999 > 93 94 O 0.90950790030845 0.56933885002162 0.39040493791053 15.999 > 93 95 O 0.09049209969155 0.31933885002162 0.10959506208947 15.999 > 95 96 O 0.09049209969155 0.81933885002162 0.10959506208947 15.999 > 95 97 Al 0.66191811200442 0.26667424624142 0.49810288262164 26.982 > 97 98 Al 0.66191811200442 0.76667424624142 0.49810288262164 26.982 > 97 99 Al 0.33808188799558 0.01667424624142 0.00189711737836 26.982 > 99 100 Al 0.33808188799558 0.51667424624142 0.00189711737836 26.982 > 99 101 Al 0.33808188799558 0.23332575375858 0.50189711737836 26.982 > 101 102 Al 0.33808188799558 0.73332575375858 0.50189711737836 26.982 > 101 103 Al 0.66191811200442 0.48332575375858 0.99810288262164 26.982 > 103 104 Al 0.66191811200442 0.98332575375858 0.99810288262164 26.982 > 103 105 Al 0.83251130052180 0.02121663499967 0.49826471704823 26.982 > 105 106 Al 0.83251130052180 0.52121663499967 0.49826471704823 26.982 > 105 107 Al 0.16748869947820 0.27121663499967 0.00173528295177 26.982 > 107 108 Al 0.16748869947820 0.77121663499967 0.00173528295177 26.982 > 107 109 Al 0.16748869947820 0.47878336500033 0.50173528295177 26.982 > 109 110 Al 0.16748869947820 0.97878336500033 0.50173528295177 26.982 > 109 111 Al 0.83251130052180 0.22878336500033 0.99826471704823 26.982 > 111 112 Al 0.83251130052180 0.72878336500033 0.99826471704823 26.982 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7064159 0.0000000 0.0308245 0.0000000 2.7211262 0.0000000 0.0308241 0.0000000 2.7988312 -------------------------- Born effective charges -------------------------- 1 H 0.3216878 0.0070237 0.0075382 0.0031497 0.3223171 -0.0124677 0.0410868 -0.0069045 1.3917911 2 H 0.3216878 -0.0070237 0.0075382 -0.0031497 0.3223171 0.0124677 0.0410868 0.0069045 1.3917911 3 H 0.3216878 0.0070237 0.0075382 0.0031497 0.3223171 -0.0124677 0.0410868 -0.0069045 1.3917911 4 H 0.3216878 -0.0070237 0.0075382 -0.0031497 0.3223171 0.0124677 0.0410868 0.0069045 1.3917911 5 H 0.3566000 -0.0180152 0.1898388 -0.0138712 0.3435257 0.0340179 0.1379065 0.0166469 1.4960866 6 H 0.3566000 0.0180152 0.1898388 0.0138712 0.3435257 -0.0340179 0.1379065 -0.0166469 1.4960866 7 H 0.3566000 -0.0180152 0.1898388 -0.0138712 0.3435257 0.0340179 0.1379065 0.0166469 1.4960866 8 H 0.3566000 0.0180152 0.1898388 0.0138712 0.3435257 -0.0340179 0.1379065 -0.0166469 1.4960866 9 H 0.5266093 0.3174986 0.0054733 0.2861495 0.9074875 0.0087974 0.0079549 0.0072383 0.3630760 10 H 0.5266093 -0.3174986 0.0054733 -0.2861495 0.9074875 -0.0087974 0.0079549 -0.0072383 0.3630760 11 H 0.3471843 -0.0139567 0.0847552 -0.0115911 0.3234887 -0.0498382 0.0802762 -0.0156675 1.3549863 12 H 0.3471843 0.0139567 0.0847552 0.0115911 0.3234887 0.0498382 0.0802762 0.0156675 1.3549863 13 H 0.3471843 -0.0139567 0.0847552 -0.0115911 0.3234887 -0.0498382 0.0802762 -0.0156675 1.3549863 14 H 0.3471843 0.0139567 0.0847552 0.0115911 0.3234887 0.0498382 0.0802762 0.0156675 1.3549863 15 H 0.5421937 -0.1272996 0.0067946 -0.1596926 0.7784711 0.0000401 0.0116557 -0.0061534 0.3678880 16 H 0.5421937 0.1272996 0.0067946 0.1596926 0.7784711 -0.0000401 0.0116557 0.0061534 0.3678880 17 H 0.5421937 -0.1272996 0.0067946 -0.1596926 0.7784711 0.0000401 0.0116557 -0.0061534 0.3678880 18 H 0.5421937 0.1272996 0.0067946 0.1596926 0.7784711 -0.0000401 0.0116557 0.0061534 0.3678880 19 H 0.6452826 -0.0166927 0.0303568 0.0076134 0.3989538 -0.0181799 0.0376860 -0.0099635 0.3906234 20 H 0.6452826 0.0166927 0.0303568 -0.0076134 0.3989538 0.0181799 0.0376860 0.0099635 0.3906234 21 H 0.6452826 -0.0166927 0.0303568 0.0076134 0.3989538 -0.0181799 0.0376860 -0.0099635 0.3906234 22 H 0.6452826 0.0166927 0.0303568 -0.0076134 0.3989538 0.0181799 0.0376860 0.0099635 0.3906234 23 H 0.5266093 0.3174986 0.0054733 0.2861495 0.9074875 0.0087974 0.0079549 0.0072383 0.3630760 24 H 0.5266093 -0.3174986 0.0054733 -0.2861495 0.9074875 -0.0087974 0.0079549 -0.0072383 0.3630760 25 O -1.3600682 -0.1597972 -0.2253181 -0.1718503 -1.4788136 0.0800940 -0.1735497 0.0374076 -1.9186141 26 O -1.3600682 0.1597972 -0.2253181 0.1718503 -1.4788136 -0.0800940 -0.1735497 -0.0374076 -1.9186141 27 O -1.3600682 -0.1597972 -0.2253181 -0.1718503 -1.4788136 0.0800940 -0.1735497 0.0374076 -1.9186141 28 O -1.3600682 0.1597972 -0.2253181 0.1718503 -1.4788136 -0.0800940 -0.1735497 -0.0374076 -1.9186141 29 O -1.5152434 0.0400766 -0.1949229 0.0317595 -1.6706415 0.1099089 -0.1284473 0.0673019 -1.7653713 30 O -1.5152434 -0.0400766 -0.1949229 -0.0317595 -1.6706415 -0.1099089 -0.1284473 -0.0673019 -1.7653713 31 O -1.5152434 0.0400766 -0.1949229 0.0317595 -1.6706415 0.1099089 -0.1284473 0.0673019 -1.7653713 32 O -1.5152434 -0.0400766 -0.1949229 -0.0317595 -1.6706415 -0.1099089 -0.1284473 -0.0673019 -1.7653713 33 O -1.5320013 -0.1432380 0.0192032 -0.0948954 -1.5030802 0.1601479 -0.0525060 0.1405259 -1.6666972 34 O -1.5320013 0.1432380 0.0192032 0.0948954 -1.5030802 -0.1601479 -0.0525060 -0.1405259 -1.6666972 35 O -1.6069341 0.0862778 -0.1078789 0.0041261 -1.3552535 0.1838021 -0.0620373 0.1352245 -1.7871947 36 O -1.6069341 -0.0862778 -0.1078789 -0.0041261 -1.3552535 -0.1838021 -0.0620373 -0.1352245 -1.7871947 37 O -1.6069341 0.0862778 -0.1078789 0.0041261 -1.3552535 0.1838021 -0.0620373 0.1352245 -1.7871947 38 O -1.6069341 -0.0862778 -0.1078789 -0.0041261 -1.3552535 -0.1838021 -0.0620373 -0.1352245 -1.7871947 39 O -1.3333318 -0.0852551 0.1319415 -0.0014462 -1.6141179 -0.0967839 0.1203682 -0.0853054 -1.6310033 40 O -1.3333318 0.0852551 0.1319415 0.0014462 -1.6141179 0.0967839 0.1203682 0.0853054 -1.6310033 41 O -1.3333318 -0.0852551 0.1319415 -0.0014462 -1.6141179 -0.0967839 0.1203682 -0.0853054 -1.6310033 42 O -1.3333318 0.0852551 0.1319415 0.0014462 -1.6141179 0.0967839 0.1203682 0.0853054 -1.6310033 43 O -1.3025943 -0.1368792 0.0390964 -0.1800657 -1.3500190 -0.0422090 0.0070670 -0.0845150 -1.7262765 44 O -1.3025943 0.1368792 0.0390964 0.1800657 -1.3500190 0.0422090 0.0070670 0.0845150 -1.7262765 45 O -1.3025943 -0.1368792 0.0390964 -0.1800657 -1.3500190 -0.0422090 0.0070670 -0.0845150 -1.7262765 46 O -1.3025943 0.1368792 0.0390964 0.1800657 -1.3500190 0.0422090 0.0070670 0.0845150 -1.7262765 47 O -1.5320013 -0.1432380 0.0192032 -0.0948954 -1.5030802 0.1601479 -0.0525060 0.1405259 -1.6666972 48 O -1.5320013 0.1432380 0.0192032 0.0948954 -1.5030802 -0.1601479 -0.0525060 -0.1405259 -1.6666972 49 Al 3.0438653 -0.0184877 0.0686228 0.0648934 2.8849663 0.0114235 0.0094539 0.0224268 2.5896887 50 Al 3.0438653 0.0184877 0.0686228 -0.0648934 2.8849663 -0.0114235 0.0094539 -0.0224268 2.5896887 51 Al 3.0438653 -0.0184877 0.0686228 0.0648934 2.8849663 0.0114235 0.0094539 0.0224268 2.5896887 52 Al 3.0438653 0.0184877 0.0686228 -0.0648934 2.8849663 -0.0114235 0.0094539 -0.0224268 2.5896887 53 Al 2.8667502 -0.0057546 -0.0555009 -0.0763063 3.0127157 -0.0082219 -0.0369149 -0.0206198 2.5410170 54 Al 2.8667502 0.0057546 -0.0555009 0.0763063 3.0127157 0.0082219 -0.0369149 0.0206198 2.5410170 55 Al 2.8667502 -0.0057546 -0.0555009 -0.0763063 3.0127157 -0.0082219 -0.0369149 -0.0206198 2.5410170 56 Al 2.8667502 0.0057546 -0.0555009 0.0763063 3.0127157 0.0082219 -0.0369149 0.0206198 2.5410170 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] Computing fc3[ 77, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0066 0.0000 0.0075] [ 0.0066 0.0000 -0.0075] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:28:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:28:45]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.652323080026367 0.000000000000000 0.000000000000000 b 0.000000000000000 4.998212130000000 0.000000000000000 c -8.270591068843460 0.000000000000000 9.446741527646534 Atomic positions (fractional): 1 H 0.96996499281405 0.64778878786446 0.28669187390409 1.008 2 H 0.03003500718595 0.14778878786446 0.21330812609591 1.008 3 H 0.03003500718595 0.35221121213554 0.71330812609591 1.008 4 H 0.96996499281405 0.85221121213554 0.78669187390409 1.008 5 H 0.48966530439314 0.23080057691435 0.28588879501739 1.008 6 H 0.51033469560686 0.73080057691435 0.21411120498261 1.008 7 H 0.51033469560686 0.76919942308565 0.71411120498261 1.008 8 H 0.48966530439314 0.26919942308565 0.78588879501739 1.008 9 H 0.05459578551842 0.67274006581241 0.61162185380701 1.008 10 H 0.94540421448158 0.17274006581241 0.88837814619299 1.008 11 H 0.28484081297411 0.61849484403958 0.28758073323443 1.008 12 H 0.71515918702589 0.11849484403958 0.21241926676557 1.008 13 H 0.71515918702589 0.38150515596042 0.71241926676557 1.008 14 H 0.28484081297411 0.88150515596042 0.78758073323443 1.008 15 H 0.32044509641287 0.02533311045023 0.39801966742479 1.008 16 H 0.67955490358713 0.52533311045023 0.10198033257521 1.008 17 H 0.67955490358713 0.97466688954977 0.60198033257521 1.008 18 H 0.32044509641287 0.47466688954977 0.89801966742479 1.008 19 H 0.79846183564021 0.63989718073199 0.37718625582111 1.008 20 H 0.20153816435979 0.13989718073199 0.12281374417889 1.008 21 H 0.20153816435979 0.36010281926801 0.62281374417889 1.008 22 H 0.79846183564021 0.86010281926801 0.87718625582111 1.008 23 H 0.94540421448158 0.32725993418759 0.38837814619299 1.008 24 H 0.05459578551842 0.82725993418759 0.11162185380701 1.008 25 O 0.59156270715313 0.27332116384655 0.89188577464314 15.999 26 O 0.40843729284687 0.77332116384655 0.60811422535686 15.999 27 O 0.40843729284687 0.72667883615345 0.10811422535686 15.999 28 O 0.59156270715313 0.22667883615345 0.39188577464314 15.999 29 O 0.06258274502820 0.86868682954816 0.89288055551205 15.999 30 O 0.93741725497180 0.36868682954816 0.60711944448795 15.999 31 O 0.93741725497180 0.13131317045185 0.10711944448796 15.999 32 O 0.06258274502820 0.63131317045184 0.39288055551204 15.999 33 O 0.09049209969155 0.86132229995676 0.60959506208947 15.999 34 O 0.90950790030845 0.36132229995676 0.89040493791053 15.999 35 O 0.38724842170962 0.64098212201628 0.39283234930103 15.999 36 O 0.61275157829038 0.14098212201628 0.10716765069897 15.999 37 O 0.61275157829038 0.35901787798372 0.60716765069896 15.999 38 O 0.38724842170962 0.85901787798372 0.89283234930104 15.999 39 O 0.22238350701769 0.14003470682828 0.39322481844374 15.999 40 O 0.77761649298231 0.64003470682828 0.10677518155626 15.999 41 O 0.77761649298231 0.85996529317172 0.60677518155626 15.999 42 O 0.22238350701769 0.35996529317172 0.89322481844374 15.999 43 O 0.70488326395458 0.72606017790479 0.38554780053251 15.999 44 O 0.29511673604542 0.22606017790479 0.11445219946749 15.999 45 O 0.29511673604542 0.27393982209521 0.61445219946749 15.999 46 O 0.70488326395458 0.77393982209521 0.88554780053251 15.999 47 O 0.90950790030845 0.13867770004324 0.39040493791053 15.999 48 O 0.09049209969155 0.63867770004324 0.10959506208947 15.999 49 Al 0.66191811200442 0.53334849248284 0.49810288262164 26.982 50 Al 0.33808188799558 0.03334849248284 0.00189711737836 26.982 51 Al 0.33808188799558 0.46665150751716 0.50189711737836 26.982 52 Al 0.66191811200442 0.96665150751716 0.99810288262164 26.982 53 Al 0.83251130052180 0.04243326999933 0.49826471704823 26.982 54 Al 0.16748869947820 0.54243326999934 0.00173528295177 26.982 55 Al 0.16748869947820 0.95756673000066 0.50173528295177 26.982 56 Al 0.83251130052180 0.45756673000067 0.99826471704823 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.652323080026367 0.000000000000000 0.000000000000000 b 0.000000000000000 9.996424260000000 0.000000000000000 c -8.270591068843460 0.000000000000000 9.446741527646534 Atomic positions (fractional): 1 H 0.96996499281405 0.32389439393223 0.28669187390409 1.008 > 1 2 H 0.96996499281405 0.82389439393223 0.28669187390409 1.008 > 1 3 H 0.03003500718595 0.07389439393223 0.21330812609591 1.008 > 3 4 H 0.03003500718595 0.57389439393223 0.21330812609591 1.008 > 3 5 H 0.03003500718595 0.17610560606777 0.71330812609591 1.008 > 5 6 H 0.03003500718595 0.67610560606777 0.71330812609591 1.008 > 5 7 H 0.96996499281405 0.42610560606777 0.78669187390409 1.008 > 7 8 H 0.96996499281405 0.92610560606777 0.78669187390409 1.008 > 7 9 H 0.48966530439314 0.11540028845717 0.28588879501739 1.008 > 9 10 H 0.48966530439314 0.61540028845717 0.28588879501739 1.008 > 9 11 H 0.51033469560686 0.36540028845717 0.21411120498261 1.008 > 11 12 H 0.51033469560686 0.86540028845717 0.21411120498261 1.008 > 11 13 H 0.51033469560686 0.38459971154283 0.71411120498261 1.008 > 13 14 H 0.51033469560686 0.88459971154283 0.71411120498261 1.008 > 13 15 H 0.48966530439314 0.13459971154283 0.78588879501739 1.008 > 15 16 H 0.48966530439314 0.63459971154283 0.78588879501739 1.008 > 15 17 H 0.05459578551842 0.33637003290621 0.61162185380701 1.008 > 17 18 H 0.05459578551842 0.83637003290621 0.61162185380701 1.008 > 17 19 H 0.94540421448158 0.08637003290621 0.88837814619299 1.008 > 19 20 H 0.94540421448158 0.58637003290621 0.88837814619299 1.008 > 19 21 H 0.28484081297411 0.30924742201979 0.28758073323443 1.008 > 21 22 H 0.28484081297411 0.80924742201979 0.28758073323443 1.008 > 21 23 H 0.71515918702589 0.05924742201979 0.21241926676557 1.008 > 23 24 H 0.71515918702589 0.55924742201979 0.21241926676557 1.008 > 23 25 H 0.71515918702589 0.19075257798021 0.71241926676557 1.008 > 25 26 H 0.71515918702589 0.69075257798021 0.71241926676557 1.008 > 25 27 H 0.28484081297411 0.44075257798021 0.78758073323443 1.008 > 27 28 H 0.28484081297411 0.94075257798021 0.78758073323443 1.008 > 27 29 H 0.32044509641287 0.01266655522511 0.39801966742479 1.008 > 29 30 H 0.32044509641287 0.51266655522511 0.39801966742479 1.008 > 29 31 H 0.67955490358713 0.26266655522511 0.10198033257521 1.008 > 31 32 H 0.67955490358713 0.76266655522511 0.10198033257521 1.008 > 31 33 H 0.67955490358713 0.48733344477489 0.60198033257521 1.008 > 33 34 H 0.67955490358713 0.98733344477489 0.60198033257521 1.008 > 33 35 H 0.32044509641287 0.23733344477489 0.89801966742479 1.008 > 35 36 H 0.32044509641287 0.73733344477489 0.89801966742479 1.008 > 35 37 H 0.79846183564021 0.31994859036600 0.37718625582111 1.008 > 37 38 H 0.79846183564021 0.81994859036600 0.37718625582111 1.008 > 37 39 H 0.20153816435979 0.06994859036600 0.12281374417889 1.008 > 39 40 H 0.20153816435979 0.56994859036600 0.12281374417889 1.008 > 39 41 H 0.20153816435979 0.18005140963400 0.62281374417889 1.008 > 41 42 H 0.20153816435979 0.68005140963400 0.62281374417889 1.008 > 41 43 H 0.79846183564021 0.43005140963400 0.87718625582111 1.008 > 43 44 H 0.79846183564021 0.93005140963400 0.87718625582111 1.008 > 43 45 H 0.94540421448158 0.16362996709379 0.38837814619299 1.008 > 45 46 H 0.94540421448158 0.66362996709379 0.38837814619299 1.008 > 45 47 H 0.05459578551842 0.41362996709379 0.11162185380701 1.008 > 47 48 H 0.05459578551842 0.91362996709379 0.11162185380701 1.008 > 47 49 O 0.59156270715313 0.13666058192328 0.89188577464314 15.999 > 49 50 O 0.59156270715313 0.63666058192328 0.89188577464314 15.999 > 49 51 O 0.40843729284687 0.38666058192328 0.60811422535686 15.999 > 51 52 O 0.40843729284687 0.88666058192328 0.60811422535686 15.999 > 51 53 O 0.40843729284687 0.36333941807672 0.10811422535686 15.999 > 53 54 O 0.40843729284687 0.86333941807672 0.10811422535686 15.999 > 53 55 O 0.59156270715313 0.11333941807672 0.39188577464314 15.999 > 55 56 O 0.59156270715313 0.61333941807672 0.39188577464314 15.999 > 55 57 O 0.06258274502820 0.43434341477408 0.89288055551205 15.999 > 57 58 O 0.06258274502820 0.93434341477408 0.89288055551205 15.999 > 57 59 O 0.93741725497180 0.18434341477408 0.60711944448795 15.999 > 59 60 O 0.93741725497180 0.68434341477408 0.60711944448795 15.999 > 59 61 O 0.93741725497180 0.06565658522592 0.10711944448796 15.999 > 61 62 O 0.93741725497180 0.56565658522592 0.10711944448796 15.999 > 61 63 O 0.06258274502820 0.31565658522592 0.39288055551204 15.999 > 63 64 O 0.06258274502820 0.81565658522592 0.39288055551204 15.999 > 63 65 O 0.09049209969155 0.43066114997838 0.60959506208947 15.999 > 65 66 O 0.09049209969155 0.93066114997838 0.60959506208947 15.999 > 65 67 O 0.90950790030845 0.18066114997838 0.89040493791053 15.999 > 67 68 O 0.90950790030845 0.68066114997838 0.89040493791053 15.999 > 67 69 O 0.38724842170962 0.32049106100814 0.39283234930103 15.999 > 69 70 O 0.38724842170962 0.82049106100814 0.39283234930103 15.999 > 69 71 O 0.61275157829038 0.07049106100814 0.10716765069897 15.999 > 71 72 O 0.61275157829038 0.57049106100814 0.10716765069897 15.999 > 71 73 O 0.61275157829038 0.17950893899186 0.60716765069896 15.999 > 73 74 O 0.61275157829038 0.67950893899186 0.60716765069896 15.999 > 73 75 O 0.38724842170962 0.42950893899186 0.89283234930104 15.999 > 75 76 O 0.38724842170962 0.92950893899186 0.89283234930104 15.999 > 75 77 O 0.22238350701769 0.07001735341414 0.39322481844374 15.999 > 77 78 O 0.22238350701769 0.57001735341414 0.39322481844374 15.999 > 77 79 O 0.77761649298231 0.32001735341414 0.10677518155626 15.999 > 79 80 O 0.77761649298231 0.82001735341414 0.10677518155626 15.999 > 79 81 O 0.77761649298231 0.42998264658586 0.60677518155626 15.999 > 81 82 O 0.77761649298231 0.92998264658586 0.60677518155626 15.999 > 81 83 O 0.22238350701769 0.17998264658586 0.89322481844374 15.999 > 83 84 O 0.22238350701769 0.67998264658586 0.89322481844374 15.999 > 83 85 O 0.70488326395458 0.36303008895240 0.38554780053251 15.999 > 85 86 O 0.70488326395458 0.86303008895240 0.38554780053251 15.999 > 85 87 O 0.29511673604542 0.11303008895240 0.11445219946749 15.999 > 87 88 O 0.29511673604542 0.61303008895240 0.11445219946749 15.999 > 87 89 O 0.29511673604542 0.13696991104760 0.61445219946749 15.999 > 89 90 O 0.29511673604542 0.63696991104760 0.61445219946749 15.999 > 89 91 O 0.70488326395458 0.38696991104760 0.88554780053251 15.999 > 91 92 O 0.70488326395458 0.88696991104760 0.88554780053251 15.999 > 91 93 O 0.90950790030845 0.06933885002162 0.39040493791053 15.999 > 93 94 O 0.90950790030845 0.56933885002162 0.39040493791053 15.999 > 93 95 O 0.09049209969155 0.31933885002162 0.10959506208947 15.999 > 95 96 O 0.09049209969155 0.81933885002162 0.10959506208947 15.999 > 95 97 Al 0.66191811200442 0.26667424624142 0.49810288262164 26.982 > 97 98 Al 0.66191811200442 0.76667424624142 0.49810288262164 26.982 > 97 99 Al 0.33808188799558 0.01667424624142 0.00189711737836 26.982 > 99 100 Al 0.33808188799558 0.51667424624142 0.00189711737836 26.982 > 99 101 Al 0.33808188799558 0.23332575375858 0.50189711737836 26.982 > 101 102 Al 0.33808188799558 0.73332575375858 0.50189711737836 26.982 > 101 103 Al 0.66191811200442 0.48332575375858 0.99810288262164 26.982 > 103 104 Al 0.66191811200442 0.98332575375858 0.99810288262164 26.982 > 103 105 Al 0.83251130052180 0.02121663499967 0.49826471704823 26.982 > 105 106 Al 0.83251130052180 0.52121663499967 0.49826471704823 26.982 > 105 107 Al 0.16748869947820 0.27121663499967 0.00173528295177 26.982 > 107 108 Al 0.16748869947820 0.77121663499967 0.00173528295177 26.982 > 107 109 Al 0.16748869947820 0.47878336500033 0.50173528295177 26.982 > 109 110 Al 0.16748869947820 0.97878336500033 0.50173528295177 26.982 > 109 111 Al 0.83251130052180 0.22878336500033 0.99826471704823 26.982 > 111 112 Al 0.83251130052180 0.72878336500033 0.99826471704823 26.982 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7064159 0.0000000 0.0308245 0.0000000 2.7211262 0.0000000 0.0308241 0.0000000 2.7988312 -------------------------- Born effective charges -------------------------- 1 H 0.3216878 0.0070237 0.0075382 0.0031497 0.3223171 -0.0124677 0.0410868 -0.0069045 1.3917911 2 H 0.3216878 -0.0070237 0.0075382 -0.0031497 0.3223171 0.0124677 0.0410868 0.0069045 1.3917911 3 H 0.3216878 0.0070237 0.0075382 0.0031497 0.3223171 -0.0124677 0.0410868 -0.0069045 1.3917911 4 H 0.3216878 -0.0070237 0.0075382 -0.0031497 0.3223171 0.0124677 0.0410868 0.0069045 1.3917911 5 H 0.3566000 -0.0180152 0.1898388 -0.0138712 0.3435257 0.0340179 0.1379065 0.0166469 1.4960866 6 H 0.3566000 0.0180152 0.1898388 0.0138712 0.3435257 -0.0340179 0.1379065 -0.0166469 1.4960866 7 H 0.3566000 -0.0180152 0.1898388 -0.0138712 0.3435257 0.0340179 0.1379065 0.0166469 1.4960866 8 H 0.3566000 0.0180152 0.1898388 0.0138712 0.3435257 -0.0340179 0.1379065 -0.0166469 1.4960866 9 H 0.5266093 0.3174986 0.0054733 0.2861495 0.9074875 0.0087974 0.0079549 0.0072383 0.3630760 10 H 0.5266093 -0.3174986 0.0054733 -0.2861495 0.9074875 -0.0087974 0.0079549 -0.0072383 0.3630760 11 H 0.3471843 -0.0139567 0.0847552 -0.0115911 0.3234887 -0.0498382 0.0802762 -0.0156675 1.3549863 12 H 0.3471843 0.0139567 0.0847552 0.0115911 0.3234887 0.0498382 0.0802762 0.0156675 1.3549863 13 H 0.3471843 -0.0139567 0.0847552 -0.0115911 0.3234887 -0.0498382 0.0802762 -0.0156675 1.3549863 14 H 0.3471843 0.0139567 0.0847552 0.0115911 0.3234887 0.0498382 0.0802762 0.0156675 1.3549863 15 H 0.5421937 -0.1272996 0.0067946 -0.1596926 0.7784711 0.0000401 0.0116557 -0.0061534 0.3678880 16 H 0.5421937 0.1272996 0.0067946 0.1596926 0.7784711 -0.0000401 0.0116557 0.0061534 0.3678880 17 H 0.5421937 -0.1272996 0.0067946 -0.1596926 0.7784711 0.0000401 0.0116557 -0.0061534 0.3678880 18 H 0.5421937 0.1272996 0.0067946 0.1596926 0.7784711 -0.0000401 0.0116557 0.0061534 0.3678880 19 H 0.6452826 -0.0166927 0.0303568 0.0076134 0.3989538 -0.0181799 0.0376860 -0.0099635 0.3906234 20 H 0.6452826 0.0166927 0.0303568 -0.0076134 0.3989538 0.0181799 0.0376860 0.0099635 0.3906234 21 H 0.6452826 -0.0166927 0.0303568 0.0076134 0.3989538 -0.0181799 0.0376860 -0.0099635 0.3906234 22 H 0.6452826 0.0166927 0.0303568 -0.0076134 0.3989538 0.0181799 0.0376860 0.0099635 0.3906234 23 H 0.5266093 0.3174986 0.0054733 0.2861495 0.9074875 0.0087974 0.0079549 0.0072383 0.3630760 24 H 0.5266093 -0.3174986 0.0054733 -0.2861495 0.9074875 -0.0087974 0.0079549 -0.0072383 0.3630760 25 O -1.3600682 -0.1597972 -0.2253181 -0.1718503 -1.4788136 0.0800940 -0.1735497 0.0374076 -1.9186141 26 O -1.3600682 0.1597972 -0.2253181 0.1718503 -1.4788136 -0.0800940 -0.1735497 -0.0374076 -1.9186141 27 O -1.3600682 -0.1597972 -0.2253181 -0.1718503 -1.4788136 0.0800940 -0.1735497 0.0374076 -1.9186141 28 O -1.3600682 0.1597972 -0.2253181 0.1718503 -1.4788136 -0.0800940 -0.1735497 -0.0374076 -1.9186141 29 O -1.5152434 0.0400766 -0.1949229 0.0317595 -1.6706415 0.1099089 -0.1284473 0.0673019 -1.7653713 30 O -1.5152434 -0.0400766 -0.1949229 -0.0317595 -1.6706415 -0.1099089 -0.1284473 -0.0673019 -1.7653713 31 O -1.5152434 0.0400766 -0.1949229 0.0317595 -1.6706415 0.1099089 -0.1284473 0.0673019 -1.7653713 32 O -1.5152434 -0.0400766 -0.1949229 -0.0317595 -1.6706415 -0.1099089 -0.1284473 -0.0673019 -1.7653713 33 O -1.5320013 -0.1432380 0.0192032 -0.0948954 -1.5030802 0.1601479 -0.0525060 0.1405259 -1.6666972 34 O -1.5320013 0.1432380 0.0192032 0.0948954 -1.5030802 -0.1601479 -0.0525060 -0.1405259 -1.6666972 35 O -1.6069341 0.0862778 -0.1078789 0.0041261 -1.3552535 0.1838021 -0.0620373 0.1352245 -1.7871947 36 O -1.6069341 -0.0862778 -0.1078789 -0.0041261 -1.3552535 -0.1838021 -0.0620373 -0.1352245 -1.7871947 37 O -1.6069341 0.0862778 -0.1078789 0.0041261 -1.3552535 0.1838021 -0.0620373 0.1352245 -1.7871947 38 O -1.6069341 -0.0862778 -0.1078789 -0.0041261 -1.3552535 -0.1838021 -0.0620373 -0.1352245 -1.7871947 39 O -1.3333318 -0.0852551 0.1319415 -0.0014462 -1.6141179 -0.0967839 0.1203682 -0.0853054 -1.6310033 40 O -1.3333318 0.0852551 0.1319415 0.0014462 -1.6141179 0.0967839 0.1203682 0.0853054 -1.6310033 41 O -1.3333318 -0.0852551 0.1319415 -0.0014462 -1.6141179 -0.0967839 0.1203682 -0.0853054 -1.6310033 42 O -1.3333318 0.0852551 0.1319415 0.0014462 -1.6141179 0.0967839 0.1203682 0.0853054 -1.6310033 43 O -1.3025943 -0.1368792 0.0390964 -0.1800657 -1.3500190 -0.0422090 0.0070670 -0.0845150 -1.7262765 44 O -1.3025943 0.1368792 0.0390964 0.1800657 -1.3500190 0.0422090 0.0070670 0.0845150 -1.7262765 45 O -1.3025943 -0.1368792 0.0390964 -0.1800657 -1.3500190 -0.0422090 0.0070670 -0.0845150 -1.7262765 46 O -1.3025943 0.1368792 0.0390964 0.1800657 -1.3500190 0.0422090 0.0070670 0.0845150 -1.7262765 47 O -1.5320013 -0.1432380 0.0192032 -0.0948954 -1.5030802 0.1601479 -0.0525060 0.1405259 -1.6666972 48 O -1.5320013 0.1432380 0.0192032 0.0948954 -1.5030802 -0.1601479 -0.0525060 -0.1405259 -1.6666972 49 Al 3.0438653 -0.0184877 0.0686228 0.0648934 2.8849663 0.0114235 0.0094539 0.0224268 2.5896887 50 Al 3.0438653 0.0184877 0.0686228 -0.0648934 2.8849663 -0.0114235 0.0094539 -0.0224268 2.5896887 51 Al 3.0438653 -0.0184877 0.0686228 0.0648934 2.8849663 0.0114235 0.0094539 0.0224268 2.5896887 52 Al 3.0438653 0.0184877 0.0686228 -0.0648934 2.8849663 -0.0114235 0.0094539 -0.0224268 2.5896887 53 Al 2.8667502 -0.0057546 -0.0555009 -0.0763063 3.0127157 -0.0082219 -0.0369149 -0.0206198 2.5410170 54 Al 2.8667502 0.0057546 -0.0555009 0.0763063 3.0127157 0.0082219 -0.0369149 0.0206198 2.5410170 55 Al 2.8667502 -0.0057546 -0.0555009 -0.0763063 3.0127157 -0.0082219 -0.0369149 -0.0206198 2.5410170 56 Al 2.8667502 0.0057546 -0.0555009 0.0763063 3.0127157 0.0082219 -0.0369149 0.0206198 2.5410170 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 10 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.56, Number of G-points: 295, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/126) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.690 ( 0.000 0.000 0.000) 0.000 1.788 ( 0.000 0.000 0.000) 0.000 3.595 ( 0.000 0.000 0.000) 0.000 3.659 ( 0.000 0.000 0.000) 0.000 4.387 ( 0.000 0.000 0.000) 0.000 4.798 ( 0.000 0.000 0.000) 0.000 5.957 ( 0.000 0.000 0.000) 0.000 6.104 ( 0.000 0.000 0.000) 0.000 6.451 ( 0.000 0.000 0.000) 0.000 6.971 ( 0.000 0.000 0.000) 0.000 7.141 ( 0.000 0.000 0.000) 0.000 7.273 ( 0.000 0.000 0.000) 0.000 7.292 ( 0.000 0.000 0.000) 0.000 7.477 ( 0.000 0.000 0.000) 0.000 7.510 ( 0.000 0.000 0.000) 0.000 7.616 ( 0.000 0.000 0.000) 0.000 7.868 ( 0.000 0.000 0.000) 0.000 7.888 ( 0.000 0.000 0.000) 0.000 7.974 ( 0.000 0.000 0.000) 0.000 8.094 ( 0.000 0.000 0.000) 0.000 8.365 ( 0.000 0.000 0.000) 0.000 8.470 ( 0.000 0.000 0.000) 0.000 8.496 ( 0.000 0.000 0.000) 0.000 8.566 ( 0.000 0.000 0.000) 0.000 8.768 ( 0.000 0.000 0.000) 0.000 8.773 ( 0.000 0.000 0.000) 0.000 9.060 ( 0.000 0.000 0.000) 0.000 9.091 ( 0.000 0.000 0.000) 0.000 9.230 ( 0.000 0.000 0.000) 0.000 9.407 ( 0.000 0.000 0.000) 0.000 9.593 ( 0.000 0.000 0.000) 0.000 9.813 ( 0.000 0.000 0.000) 0.000 10.165 ( 0.000 0.000 0.000) 0.000 10.236 ( 0.000 0.000 0.000) 0.000 10.337 ( 0.000 0.000 0.000) 0.000 10.689 ( 0.000 0.000 0.000) 0.000 10.800 ( 0.000 0.000 0.000) 0.000 10.822 ( 0.000 0.000 0.000) 0.000 10.928 ( 0.000 0.000 0.000) 0.000 11.133 ( 0.000 0.000 0.000) 0.000 11.260 ( 0.000 0.000 0.000) 0.000 11.433 ( 0.000 0.000 0.000) 0.000 11.605 ( 0.000 0.000 0.000) 0.000 11.616 ( 0.000 0.000 0.000) 0.000 11.858 ( 0.000 0.000 0.000) 0.000 12.093 ( 0.000 0.000 0.000) 0.000 12.127 ( 0.000 0.000 0.000) 0.000 12.331 ( 0.000 0.000 0.000) 0.000 12.349 ( 0.000 0.000 0.000) 0.000 12.437 ( 0.000 0.000 0.000) 0.000 12.681 ( 0.000 0.000 0.000) 0.000 12.725 ( 0.000 0.000 0.000) 0.000 13.116 ( 0.000 0.000 0.000) 0.000 13.142 ( 0.000 0.000 0.000) 0.000 13.159 ( 0.000 0.000 0.000) 0.000 13.178 ( 0.000 0.000 0.000) 0.000 13.225 ( 0.000 0.000 0.000) 0.000 13.378 ( 0.000 0.000 0.000) 0.000 13.478 ( 0.000 0.000 0.000) 0.000 13.560 ( 0.000 0.000 0.000) 0.000 13.711 ( 0.000 0.000 0.000) 0.000 14.693 ( 0.000 0.000 0.000) 0.000 14.724 ( 0.000 0.000 0.000) 0.000 14.786 ( 0.000 0.000 0.000) 0.000 14.961 ( 0.000 0.000 0.000) 0.000 15.161 ( 0.000 0.000 0.000) 0.000 15.271 ( 0.000 0.000 0.000) 0.000 15.406 ( 0.000 0.000 0.000) 0.000 15.502 ( 0.000 0.000 0.000) 0.000 15.619 ( 0.000 0.000 0.000) 0.000 15.722 ( 0.000 0.000 0.000) 0.000 15.834 ( 0.000 0.000 0.000) 0.000 16.105 ( 0.000 0.000 0.000) 0.000 16.152 ( 0.000 0.000 0.000) 0.000 16.209 ( 0.000 0.000 0.000) 0.000 16.221 ( 0.000 0.000 0.000) 0.000 16.256 ( 0.000 0.000 0.000) 0.000 16.574 ( 0.000 0.000 0.000) 0.000 16.656 ( 0.000 0.000 0.000) 0.000 16.672 ( 0.000 0.000 0.000) 0.000 16.786 ( 0.000 0.000 0.000) 0.000 17.809 ( 0.000 0.000 0.000) 0.000 17.875 ( 0.000 0.000 0.000) 0.000 17.900 ( 0.000 0.000 0.000) 0.000 18.257 ( 0.000 0.000 0.000) 0.000 18.554 ( 0.000 0.000 0.000) 0.000 18.609 ( 0.000 0.000 0.000) 0.000 18.677 ( 0.000 0.000 0.000) 0.000 18.754 ( 0.000 0.000 0.000) 0.000 19.538 ( 0.000 0.000 0.000) 0.000 19.548 ( 0.000 0.000 0.000) 0.000 19.642 ( 0.000 0.000 0.000) 0.000 20.449 ( 0.000 0.000 0.000) 0.000 20.730 ( 0.000 0.000 0.000) 0.000 20.950 ( 0.000 0.000 0.000) 0.000 21.112 ( 0.000 0.000 0.000) 0.000 22.102 ( 0.000 0.000 0.000) 0.000 23.559 ( 0.000 0.000 0.000) 0.000 24.305 ( 0.000 0.000 0.000) 0.000 24.323 ( 0.000 0.000 0.000) 0.000 24.335 ( 0.000 0.000 0.000) 0.000 24.414 ( 0.000 0.000 0.000) 0.000 25.016 ( 0.000 0.000 0.000) 0.000 25.124 ( 0.000 0.000 0.000) 0.000 25.279 ( 0.000 0.000 0.000) 0.000 25.700 ( 0.000 0.000 0.000) 0.000 25.755 ( 0.000 0.000 0.000) 0.000 26.070 ( 0.000 0.000 0.000) 0.000 26.085 ( 0.000 0.000 0.000) 0.000 27.106 ( 0.000 0.000 0.000) 0.000 27.582 ( 0.000 0.000 0.000) 0.000 27.722 ( 0.000 0.000 0.000) 0.000 28.046 ( 0.000 0.000 0.000) 0.000 28.726 ( 0.000 0.000 0.000) 0.000 29.113 ( 0.000 0.000 0.000) 0.000 29.211 ( 0.000 0.000 0.000) 0.000 29.499 ( 0.000 0.000 0.000) 0.000 29.653 ( 0.000 0.000 0.000) 0.000 29.755 ( 0.000 0.000 0.000) 0.000 29.816 ( 0.000 0.000 0.000) 0.000 30.271 ( 0.000 0.000 0.000) 0.000 31.575 ( 0.000 0.000 0.000) 0.000 31.607 ( 0.000 0.000 0.000) 0.000 31.668 ( 0.000 0.000 0.000) 0.000 32.094 ( 0.000 0.000 0.000) 0.000 32.181 ( 0.000 0.000 0.000) 0.000 32.233 ( 0.000 0.000 0.000) 0.000 32.750 ( 0.000 0.000 0.000) 0.000 33.129 ( 0.000 0.000 0.000) 0.000 33.145 ( 0.000 0.000 0.000) 0.000 33.321 ( 0.000 0.000 0.000) 0.000 33.770 ( 0.000 0.000 0.000) 0.000 33.774 ( 0.000 0.000 0.000) 0.000 33.843 ( 0.000 0.000 0.000) 0.000 33.857 ( 0.000 0.000 0.000) 0.000 34.464 ( 0.000 0.000 0.000) 0.000 34.642 ( 0.000 0.000 0.000) 0.000 34.818 ( 0.000 0.000 0.000) 0.000 34.894 ( 0.000 0.000 0.000) 0.000 35.795 ( 0.000 0.000 0.000) 0.000 36.441 ( 0.000 0.000 0.000) 0.000 90.922 ( 0.000 0.000 0.000) 0.000 91.018 ( 0.000 0.000 0.000) 0.000 91.560 ( 0.000 0.000 0.000) 0.000 91.652 ( 0.000 0.000 0.000) 0.000 93.559 ( 0.000 0.000 0.000) 0.000 93.596 ( 0.000 0.000 0.000) 0.000 94.214 ( 0.000 0.000 0.000) 0.000 94.804 ( 0.000 0.000 0.000) 0.000 94.833 ( 0.000 0.000 0.000) 0.000 95.149 ( 0.000 0.000 0.000) 0.000 95.500 ( 0.000 0.000 0.000) 0.000 97.817 ( 0.000 0.000 0.000) 0.000 98.076 ( 0.000 0.000 0.000) 0.000 98.080 ( 0.000 0.000 0.000) 0.000 98.135 ( 0.000 0.000 0.000) 0.000 99.661 ( 0.000 0.000 0.000) 0.000 102.385 ( 0.000 0.000 0.000) 0.000 102.408 ( 0.000 0.000 0.000) 0.000 102.545 ( 0.000 0.000 0.000) 0.000 102.620 ( 0.000 0.000 0.000) 0.000 107.583 ( 0.000 0.000 0.000) 0.000 107.590 ( 0.000 0.000 0.000) 0.000 107.733 ( 0.000 0.000 0.000) 0.000 107.856 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/126) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 42.883 0.000 3.768) 43.048 0.958 ( 25.554 0.000 45.464) 52.153 1.218 ( 60.303 0.000 26.110) 65.713 1.885 ( 18.050 0.000 -5.758) 18.946 2.032 ( 46.111 0.000 -3.518) 46.245 3.504 ( -27.064 0.000 9.582) 28.710 3.555 ( -8.477 0.000 3.373) 9.124 4.172 ( -22.695 0.000 4.827) 23.203 5.047 ( 25.962 0.000 -11.004) 28.198 5.848 ( -18.743 0.000 -10.570) 21.518 5.878 ( 2.957 0.000 -9.415) 9.869 6.678 ( 15.787 0.000 0.307) 15.790 6.714 ( -32.651 0.000 5.257) 33.072 7.177 ( -23.039 0.000 -5.822) 23.764 7.245 ( 6.677 0.000 -1.072) 6.762 7.262 ( -3.007 0.000 0.930) 3.148 7.340 ( -12.886 0.000 -7.762) 15.043 7.405 ( -11.180 0.000 -0.025) 11.180 7.769 ( -4.778 0.000 -7.209) 8.649 7.812 ( 2.132 0.000 10.786) 10.995 7.841 ( 2.536 0.000 -9.027) 9.377 7.897 ( -9.619 0.000 -0.039) 9.619 8.069 ( -3.065 0.000 -0.106) 3.067 8.298 ( -7.296 0.000 0.641) 7.324 8.464 ( 1.085 0.000 -1.311) 1.702 8.546 ( 4.603 0.000 2.485) 5.231 8.630 ( -2.363 0.000 6.352) 6.777 8.838 ( 9.727 0.000 -3.277) 10.264 8.966 ( 20.634 0.000 0.556) 20.642 9.169 ( 8.028 0.000 -7.824) 11.210 9.221 ( 15.836 0.000 3.401) 16.197 9.272 ( 11.314 0.000 -3.890) 11.964 9.470 ( 8.772 0.000 0.568) 8.790 9.540 ( 3.202 0.000 -6.498) 7.245 9.885 ( -0.033 0.000 7.889) 7.889 10.204 ( -1.570 0.000 7.142) 7.312 10.300 ( 9.310 0.000 -0.685) 9.335 10.462 ( 11.841 0.000 2.859) 12.181 10.684 ( -0.892 0.000 0.083) 0.896 10.750 ( -4.411 0.000 0.677) 4.463 10.866 ( 4.760 0.000 -1.973) 5.153 11.037 ( 2.276 0.000 -0.499) 2.331 11.160 ( 1.693 0.000 0.869) 1.903 11.239 ( -1.388 0.000 -1.422) 1.987 11.625 ( 0.374 0.000 1.950) 1.985 11.632 ( 0.558 0.000 1.589) 1.685 11.806 ( -2.609 0.000 -3.368) 4.260 11.836 ( -6.829 0.000 3.438) 7.645 12.058 ( -3.125 0.000 -1.270) 3.373 12.067 ( -9.065 0.000 0.166) 9.066 12.264 ( -7.619 0.000 -2.054) 7.891 12.455 ( 1.871 0.000 2.014) 2.749 12.703 ( 2.743 0.000 -2.259) 3.554 12.725 ( -3.344 0.000 0.515) 3.383 12.911 ( -11.269 0.000 -3.601) 11.830 12.939 ( -7.183 0.000 -7.965) 10.726 13.108 ( -2.448 0.000 -6.097) 6.570 13.127 ( -29.117 0.000 23.853) 37.640 13.326 ( -1.825 0.000 0.848) 2.013 13.353 ( 3.755 0.000 5.715) 6.838 13.442 ( 8.774 0.000 -0.702) 8.802 13.482 ( 22.415 0.000 -13.920) 26.386 13.650 ( 3.163 0.000 4.779) 5.731 13.721 ( -0.819 0.000 1.423) 1.641 14.643 ( -5.130 0.000 -2.712) 5.803 14.708 ( -4.311 0.000 2.164) 4.823 14.764 ( -2.462 0.000 -0.759) 2.576 14.938 ( -2.314 0.000 -1.051) 2.542 15.109 ( -2.506 0.000 -3.891) 4.628 15.242 ( -2.942 0.000 -0.349) 2.963 15.516 ( 7.354 0.000 -5.324) 9.079 15.517 ( -2.159 0.000 1.702) 2.749 15.642 ( 3.453 0.000 -3.206) 4.712 15.671 ( 0.912 0.000 -4.431) 4.524 15.847 ( 7.450 0.000 -7.745) 10.747 15.922 ( -6.228 0.000 -10.071) 11.841 16.125 ( -0.049 0.000 -3.206) 3.206 16.245 ( 2.015 0.000 -2.700) 3.369 16.373 ( -0.926 0.000 9.913) 9.956 16.376 ( 2.766 0.000 12.162) 12.473 16.599 ( -3.474 0.000 5.279) 6.320 16.712 ( 2.709 0.000 3.876) 4.729 16.943 ( 23.444 0.000 -6.475) 24.322 17.055 ( 17.060 0.000 10.142) 19.846 17.863 ( -1.159 0.000 0.403) 1.227 17.920 ( 3.270 0.000 -0.713) 3.346 18.038 ( -12.014 0.000 7.218) 14.015 18.238 ( 1.853 0.000 -5.708) 6.002 18.556 ( 0.116 0.000 -2.818) 2.820 18.629 ( 2.464 0.000 0.458) 2.507 18.680 ( 3.235 0.000 -1.386) 3.519 18.743 ( 0.869 0.000 -2.548) 2.692 19.534 ( -1.600 0.000 0.148) 1.607 19.554 ( 0.061 0.000 2.334) 2.335 20.512 ( 3.658 0.000 4.792) 6.028 20.748 ( 1.591 0.000 -1.442) 2.147 20.853 ( -2.412 0.000 -0.043) 2.413 21.013 ( -5.451 0.000 -8.790) 10.343 21.697 ( -16.151 0.000 21.673) 27.029 22.002 ( -8.848 0.000 -7.022) 11.296 23.647 ( 0.478 0.000 -1.764) 1.827 24.121 ( 0.346 0.000 -18.736) 18.739 24.374 ( -8.878 0.000 4.962) 10.171 24.464 ( 1.374 0.000 5.092) 5.274 25.026 ( 0.645 0.000 -13.287) 13.302 25.064 ( -0.266 0.000 6.204) 6.209 25.157 ( -1.626 0.000 -0.940) 1.878 25.475 ( 11.222 0.000 7.523) 13.510 25.557 ( -11.081 0.000 -2.703) 11.406 25.765 ( 0.475 0.000 -4.777) 4.800 26.116 ( -3.886 0.000 10.504) 11.200 26.676 ( -51.784 0.000 63.587) 82.005 27.133 ( -1.695 0.000 5.679) 5.927 27.500 ( -10.202 0.000 0.208) 10.204 27.822 ( -5.819 0.000 -19.170) 20.034 27.875 ( 8.840 0.000 6.508) 10.977 28.920 ( 9.236 0.000 12.450) 15.502 28.965 ( -0.335 0.000 -19.580) 19.582 29.461 ( 7.336 0.000 5.008) 8.883 29.471 ( -0.435 0.000 -3.708) 3.733 29.611 ( 1.987 0.000 -6.629) 6.920 29.781 ( 0.505 0.000 2.924) 2.967 30.152 ( 25.525 0.000 -19.727) 32.259 30.354 ( 11.671 0.000 -1.220) 11.735 31.386 ( -8.729 0.000 -2.206) 9.003 31.690 ( 1.505 0.000 1.340) 2.016 31.850 ( 12.789 0.000 6.470) 14.333 32.068 ( -0.886 0.000 -4.304) 4.395 32.162 ( -3.647 0.000 1.288) 3.867 32.216 ( -1.439 0.000 -1.036) 1.774 32.728 ( -4.858 0.000 2.640) 5.529 33.057 ( -7.485 0.000 -2.356) 7.847 33.374 ( 7.262 0.000 -0.896) 7.317 33.550 ( -0.333 0.000 -8.985) 8.992 33.733 ( -6.765 0.000 3.629) 7.677 33.774 ( 2.174 0.000 -3.943) 4.502 33.890 ( 8.066 0.000 -3.882) 8.952 34.154 ( 22.812 0.000 -29.787) 37.518 34.464 ( 2.032 0.000 -2.350) 3.107 34.670 ( 4.368 0.000 -0.756) 4.433 34.785 ( -0.238 0.000 -2.508) 2.519 34.965 ( 7.893 0.000 -0.690) 7.923 35.883 ( 0.715 0.000 0.925) 1.169 36.405 ( -2.709 0.000 -2.402) 3.620 90.927 ( 0.418 0.000 0.459) 0.621 90.997 ( -1.322 0.000 -1.604) 2.078 91.701 ( 1.328 0.000 5.972) 6.118 91.912 ( -20.199 0.000 22.491) 30.230 93.556 ( 0.123 0.000 -0.464) 0.480 93.589 ( -0.124 0.000 -0.798) 0.807 94.224 ( -1.290 0.000 2.989) 3.256 94.763 ( -11.035 0.000 -3.102) 11.462 94.852 ( 2.794 0.000 5.098) 5.813 95.696 ( 24.480 0.000 -2.241) 24.583 97.284 (-151.291 0.000 168.028) 226.103 97.787 ( -3.875 0.000 -0.899) 3.978 98.073 ( 1.184 0.000 -2.202) 2.500 98.100 ( 3.129 0.000 -2.593) 4.064 98.121 ( -1.079 0.000 -0.877) 1.391 99.530 ( -18.223 0.000 0.175) 18.223 102.391 ( 0.456 0.000 0.339) 0.568 102.405 ( -0.146 0.000 -0.262) 0.300 102.628 ( 1.857 0.000 -0.826) 2.032 102.803 ( 4.424 0.000 -5.382) 6.967 107.586 ( -0.094 0.000 -0.450) 0.459 107.588 ( 0.419 0.000 0.358) 0.551 107.866 ( 1.710 0.000 -0.312) 1.738 107.903 ( 9.332 0.000 -11.116) 14.514 ======================= Grid point 2 (3/126) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 38.423 0.000 3.624) 38.593 1.871 ( 21.891 0.000 43.555) 48.747 2.115 ( 30.213 0.000 -8.481) 31.380 2.416 ( 58.269 0.000 21.627) 62.153 2.797 ( 63.369 0.000 -4.716) 63.544 3.242 ( -34.420 0.000 23.733) 41.809 3.437 ( -16.051 0.000 6.350) 17.262 3.903 ( -20.452 0.000 0.739) 20.466 4.962 ( 0.947 0.000 -30.423) 30.438 5.379 ( -19.666 0.000 -18.418) 26.944 5.985 ( 9.670 0.000 -1.772) 9.831 6.238 ( -32.904 0.000 6.707) 33.581 6.526 ( -41.402 0.000 -7.300) 42.041 6.962 ( 16.554 0.000 -7.866) 18.328 7.148 ( -4.644 0.000 -0.815) 4.715 7.220 ( -6.031 0.000 -2.253) 6.438 7.223 ( -4.725 0.000 1.542) 4.970 7.289 ( -5.684 0.000 0.861) 5.749 7.609 ( -6.629 0.000 -4.042) 7.764 7.724 ( -3.895 0.000 -5.514) 6.751 7.766 ( -5.932 0.000 -0.227) 5.936 7.849 ( -7.973 0.000 -0.400) 7.983 8.092 ( 0.609 0.000 7.901) 7.924 8.180 ( -8.719 0.000 -0.679) 8.746 8.499 ( 5.342 0.000 -1.681) 5.601 8.637 ( 2.653 0.000 2.820) 3.872 8.664 ( -1.174 0.000 3.435) 3.630 8.893 ( 1.965 0.000 -2.333) 3.051 9.142 ( 0.488 0.000 -5.714) 5.735 9.252 ( 14.918 0.000 0.885) 14.944 9.475 ( 21.522 0.000 -3.425) 21.793 9.480 ( 10.681 0.000 4.769) 11.697 9.642 ( 18.374 0.000 -2.412) 18.531 9.725 ( 26.123 0.000 0.511) 26.128 9.969 ( -0.077 0.000 5.134) 5.134 10.282 ( -0.009 0.000 6.322) 6.322 10.458 ( 11.362 0.000 0.363) 11.368 10.640 ( 5.319 0.000 -0.243) 5.324 10.682 ( 2.587 0.000 1.321) 2.905 10.707 ( -1.800 0.000 -0.189) 1.810 10.897 ( 3.429 0.000 -2.583) 4.293 11.082 ( 1.906 0.000 -1.015) 2.159 11.174 ( -2.914 0.000 2.722) 3.988 11.197 ( -2.571 0.000 0.161) 2.576 11.620 ( -4.399 0.000 2.439) 5.030 11.636 ( -5.875 0.000 -1.866) 6.164 11.732 ( -10.792 0.000 5.968) 12.333 11.797 ( -0.382 0.000 5.708) 5.721 11.941 ( -5.556 0.000 1.673) 5.802 12.004 ( -3.043 0.000 0.517) 3.087 12.147 ( -3.683 0.000 -1.433) 3.952 12.491 ( -1.736 0.000 -0.180) 1.745 12.578 ( -10.958 0.000 -5.142) 12.104 12.620 ( -4.005 0.000 -7.242) 8.276 12.761 ( -6.368 0.000 -6.231) 8.909 12.808 ( 0.425 0.000 -1.406) 1.469 12.964 ( -15.313 0.000 3.958) 15.816 13.040 ( 1.982 0.000 -3.687) 4.186 13.283 ( -2.625 0.000 -0.479) 2.668 13.413 ( 0.476 0.000 1.281) 1.366 13.622 ( 12.304 0.000 1.604) 12.408 13.667 ( 12.575 0.000 -0.639) 12.591 13.691 ( -4.274 0.000 0.934) 4.375 13.743 ( 6.739 0.000 -0.966) 6.808 14.465 ( -14.633 0.000 -2.306) 14.814 14.659 ( -6.925 0.000 3.246) 7.648 14.709 ( -0.992 0.000 -3.214) 3.364 14.884 ( -2.084 0.000 -1.517) 2.578 15.031 ( -1.109 0.000 -3.368) 3.546 15.182 ( -3.098 0.000 -2.378) 3.906 15.439 ( -4.565 0.000 -2.960) 5.440 15.504 ( -1.031 0.000 -6.121) 6.208 15.628 ( 1.170 0.000 -1.824) 2.167 15.697 ( 5.263 0.000 -2.240) 5.720 15.816 ( -0.065 0.000 -5.443) 5.444 15.842 ( 2.412 0.000 2.072) 3.179 16.184 ( 7.418 0.000 4.728) 8.797 16.240 ( 1.639 0.000 -2.561) 3.041 16.470 ( -2.911 0.000 9.609) 10.040 16.542 ( 1.267 0.000 6.762) 6.879 16.759 ( 9.992 0.000 12.793) 16.233 16.843 ( 4.353 0.000 8.134) 9.226 17.181 ( 15.851 0.000 -2.756) 16.089 17.401 ( 12.518 0.000 6.427) 14.072 17.893 ( 1.941 0.000 5.627) 5.952 17.936 ( -7.628 0.000 -0.366) 7.637 17.987 ( 6.023 0.000 1.754) 6.274 18.159 ( -0.252 0.000 -8.369) 8.372 18.495 ( -1.256 0.000 -3.864) 4.063 18.672 ( 0.816 0.000 -1.007) 1.296 18.743 ( 5.404 0.000 0.067) 5.405 18.758 ( 7.612 0.000 0.462) 7.626 19.517 ( -1.726 0.000 0.992) 1.991 19.597 ( 0.408 0.000 3.742) 3.764 20.627 ( 0.247 0.000 3.407) 3.416 20.661 ( -6.053 0.000 -4.426) 7.498 20.766 ( -6.975 0.000 -11.349) 13.321 20.905 ( 7.759 0.000 -0.437) 7.771 21.626 ( -21.886 0.000 -17.849) 28.242 21.750 ( -6.459 0.000 12.242) 13.841 23.637 ( 0.841 0.000 -0.900) 1.231 23.923 ( 0.929 0.000 -12.595) 12.629 24.216 ( -13.929 0.000 -2.496) 14.151 24.530 ( -2.707 0.000 4.280) 5.065 24.890 ( 0.540 0.000 -7.663) 7.682 25.112 ( -1.795 0.000 2.068) 2.738 25.125 ( -3.965 0.000 1.990) 4.436 25.359 ( -9.767 0.000 -3.613) 10.414 25.692 ( -3.153 0.000 -0.953) 3.293 25.786 ( 15.042 0.000 11.828) 19.135 26.149 ( -5.710 0.000 3.204) 6.548 26.783 ( -17.299 0.000 32.632) 36.934 27.186 ( -3.267 0.000 7.655) 8.323 27.318 ( -15.129 0.000 -0.358) 15.133 27.575 ( 0.621 0.000 -9.796) 9.816 27.990 ( 5.214 0.000 -10.686) 11.890 28.818 ( 1.530 0.000 -0.757) 1.707 29.182 ( 8.401 0.000 3.505) 9.102 29.426 ( 0.936 0.000 0.341) 0.996 29.461 ( -3.481 0.000 -4.541) 5.721 29.676 ( 6.251 0.000 3.360) 7.097 29.826 ( -0.222 0.000 3.471) 3.478 30.315 ( 18.031 0.000 -4.330) 18.544 30.520 ( 11.201 0.000 -1.737) 11.335 31.311 ( 0.522 0.000 0.772) 0.932 31.717 ( -2.141 0.000 0.950) 2.342 31.979 ( 0.268 0.000 -7.319) 7.324 32.110 ( 11.501 0.000 5.369) 12.692 32.112 ( -5.747 0.000 2.496) 6.266 32.176 ( -1.261 0.000 -1.389) 1.876 32.694 ( -4.729 0.000 3.540) 5.907 32.872 ( -12.052 0.000 -3.597) 12.577 33.440 ( -5.008 0.000 -1.184) 5.146 33.469 ( 5.678 0.000 -0.681) 5.719 33.682 ( -6.532 0.000 4.256) 7.796 33.737 ( 1.912 0.000 -6.278) 6.563 33.938 ( 7.412 0.000 -7.279) 10.389 34.107 ( 5.240 0.000 -8.382) 9.885 34.461 ( 2.871 0.000 -3.667) 4.657 34.740 ( 6.048 0.000 -0.570) 6.075 34.758 ( 1.665 0.000 -3.617) 3.981 35.072 ( 7.612 0.000 -0.780) 7.652 35.911 ( -0.120 0.000 2.609) 2.612 36.311 ( -4.360 0.000 -3.879) 5.836 90.948 ( -1.796 0.000 -2.228) 2.862 90.949 ( 0.913 0.000 1.413) 1.682 91.825 ( 2.403 0.000 8.481) 8.815 91.902 ( -8.991 0.000 9.414) 13.018 93.552 ( 0.211 0.000 -0.626) 0.661 93.583 ( 0.318 0.000 -0.007) 0.318 94.247 ( -2.133 0.000 4.313) 4.812 94.575 ( -8.588 0.000 -2.987) 9.093 95.043 ( 8.983 0.000 13.369) 16.107 96.061 ( 33.459 0.000 -8.057) 34.415 97.190 ( -78.235 0.000 79.174) 111.307 97.642 ( -13.967 0.000 -4.807) 14.771 98.061 ( 0.511 0.000 -1.460) 1.546 98.087 ( -1.525 0.000 -1.252) 1.973 98.114 ( 1.308 0.000 -0.378) 1.362 99.164 ( -27.399 0.000 -3.310) 27.598 102.398 ( -0.220 0.000 -0.389) 0.447 102.404 ( 0.601 0.000 0.518) 0.794 102.652 ( 2.757 0.000 -0.866) 2.890 102.798 ( 1.643 0.000 -2.308) 2.833 107.577 ( -0.149 0.000 -0.644) 0.661 107.601 ( 0.467 0.000 0.499) 0.684 107.896 ( 3.434 0.000 -4.544) 5.696 107.896 ( 2.900 0.000 -0.248) 2.911 ======================= Grid point 3 (4/126) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 28.059 0.000 3.163) 28.237 2.428 ( 29.877 0.000 -9.428) 31.330 2.653 ( 13.198 0.000 33.194) 35.722 3.153 ( -23.936 0.000 29.947) 38.338 3.250 ( -17.737 0.000 15.438) 23.514 3.517 ( 55.777 0.000 8.714) 56.454 3.583 ( -12.875 0.000 -3.549) 13.355 3.697 ( 59.802 0.000 -5.842) 60.087 4.531 ( -1.299 0.000 -30.182) 30.210 4.864 ( -17.975 0.000 -15.331) 23.625 5.465 ( -54.973 0.000 4.165) 55.130 5.725 ( -46.613 0.000 -15.305) 49.061 6.434 ( 21.400 0.000 1.518) 21.454 7.019 ( 1.104 0.000 0.461) 1.196 7.092 ( -8.158 0.000 -1.502) 8.295 7.158 ( -5.106 0.000 0.144) 5.108 7.222 ( -4.564 0.000 1.391) 4.771 7.224 ( 15.295 0.000 -6.840) 16.755 7.485 ( -4.778 0.000 -1.814) 5.111 7.606 ( -4.942 0.000 -2.315) 5.457 7.707 ( -10.571 0.000 2.411) 10.842 7.729 ( -0.919 0.000 0.797) 1.217 8.047 ( -7.082 0.000 -1.290) 7.198 8.194 ( 0.439 0.000 5.370) 5.388 8.553 ( 3.975 0.000 -0.924) 4.081 8.684 ( 1.347 0.000 -0.808) 1.571 8.685 ( 0.357 0.000 1.477) 1.520 8.858 ( -2.336 0.000 -0.870) 2.492 9.092 ( 0.230 0.000 -2.426) 2.436 9.401 ( 5.460 0.000 0.520) 5.485 9.659 ( 6.480 0.000 3.185) 7.221 9.709 ( 12.636 0.000 -1.524) 12.727 9.932 ( 13.055 0.000 3.729) 13.577 10.045 ( 13.050 0.000 -0.847) 13.077 10.150 ( 28.525 0.000 -0.094) 28.525 10.352 ( 0.264 0.000 4.573) 4.581 10.595 ( 4.247 0.000 1.060) 4.377 10.639 ( -5.092 0.000 -0.263) 5.099 10.701 ( 3.436 0.000 -1.189) 3.636 10.737 ( 2.507 0.000 -0.439) 2.545 10.898 ( 1.469 0.000 -2.755) 3.122 10.987 ( -7.831 0.000 -2.738) 8.296 11.158 ( -3.958 0.000 1.609) 4.273 11.184 ( -2.554 0.000 3.387) 4.242 11.370 ( -17.615 0.000 -5.452) 18.440 11.615 ( -0.406 0.000 1.372) 1.431 11.750 ( -1.874 0.000 5.726) 6.025 11.881 ( -2.051 0.000 10.968) 11.158 11.970 ( -5.175 0.000 3.521) 6.259 12.026 ( 9.537 0.000 3.997) 10.341 12.145 ( 6.187 0.000 -2.468) 6.661 12.357 ( -8.715 0.000 -5.318) 10.209 12.385 ( -11.411 0.000 1.979) 11.582 12.498 ( 3.946 0.000 -11.598) 12.251 12.580 ( -8.134 0.000 -4.699) 9.394 12.696 ( -9.761 0.000 -5.511) 11.209 12.936 ( 2.401 0.000 4.690) 5.269 13.043 ( 1.924 0.000 -1.475) 2.424 13.230 ( -3.036 0.000 -2.008) 3.640 13.430 ( 2.006 0.000 -1.053) 2.266 13.567 ( -6.828 0.000 -1.387) 6.968 13.770 ( 1.102 0.000 2.002) 2.286 13.860 ( 12.286 0.000 -2.764) 12.593 13.891 ( 11.935 0.000 7.563) 14.130 14.212 ( -14.444 0.000 -2.229) 14.615 14.564 ( -8.509 0.000 -2.019) 8.745 14.665 ( -0.201 0.000 -2.230) 2.239 14.858 ( -0.203 0.000 0.378) 0.429 14.992 ( -0.175 0.000 -1.626) 1.635 15.121 ( -2.303 0.000 0.451) 2.346 15.340 ( -1.818 0.000 -5.608) 5.896 15.396 ( -2.965 0.000 -3.721) 4.758 15.645 ( 2.012 0.000 -0.369) 2.046 15.724 ( 1.789 0.000 -2.082) 2.745 15.756 ( -0.468 0.000 -1.497) 1.568 15.941 ( 3.134 0.000 4.363) 5.372 16.225 ( 0.572 0.000 -2.175) 2.248 16.389 ( 6.690 0.000 8.414) 10.750 16.526 ( -3.254 0.000 6.233) 7.031 16.600 ( -0.370 0.000 1.253) 1.307 17.019 ( 2.841 0.000 10.273) 10.659 17.095 ( 13.409 0.000 8.547) 15.901 17.308 ( 9.633 0.000 -6.534) 11.640 17.538 ( 1.888 0.000 1.589) 2.468 17.829 ( -4.524 0.000 -1.751) 4.852 18.040 ( 2.028 0.000 10.306) 10.504 18.042 ( -1.474 0.000 -6.624) 6.786 18.157 ( 11.060 0.000 1.174) 11.122 18.445 ( -0.292 0.000 -2.133) 2.153 18.665 ( 3.353 0.000 -0.974) 3.492 18.812 ( 3.484 0.000 0.094) 3.485 19.006 ( 15.291 0.000 12.312) 19.632 19.500 ( -2.046 0.000 0.176) 2.053 19.651 ( 0.669 0.000 3.134) 3.204 20.353 ( -18.268 0.000 -12.820) 22.318 20.523 ( -4.601 0.000 -3.789) 5.960 20.713 ( -5.650 0.000 -5.288) 7.739 21.010 ( 6.307 0.000 -0.283) 6.314 21.033 ( -16.916 0.000 -15.796) 23.144 21.807 ( -2.543 0.000 6.443) 6.927 23.653 ( 1.686 0.000 0.299) 1.712 23.832 ( 2.454 0.000 -6.558) 7.002 23.968 ( -11.979 0.000 -3.818) 12.573 24.477 ( -6.119 0.000 -0.233) 6.123 24.862 ( 2.510 0.000 -1.769) 3.071 25.066 ( -3.179 0.000 -1.698) 3.604 25.095 ( -3.175 0.000 1.606) 3.558 25.208 ( -5.767 0.000 -1.950) 6.088 25.677 ( -0.462 0.000 1.934) 1.988 26.049 ( -3.798 0.000 -5.017) 6.292 26.197 ( 19.570 0.000 12.616) 23.284 26.964 ( -11.352 0.000 13.952) 17.987 27.085 ( -13.036 0.000 10.090) 16.485 27.215 ( -3.047 0.000 4.215) 5.201 27.593 ( 3.735 0.000 3.696) 5.255 27.755 ( -0.386 0.000 -26.901) 26.903 28.950 ( 4.388 0.000 8.790) 9.825 29.174 ( -0.022 0.000 -7.327) 7.327 29.353 ( -2.264 0.000 -4.814) 5.320 29.575 ( 6.984 0.000 7.229) 10.052 29.783 ( 2.564 0.000 2.955) 3.912 29.854 ( -0.846 0.000 1.968) 2.142 30.550 ( 15.033 0.000 2.256) 15.201 30.592 ( 1.904 0.000 -1.089) 2.193 31.403 ( 7.696 0.000 1.289) 7.803 31.585 ( -10.323 0.000 -5.430) 11.664 31.956 ( 3.453 0.000 -1.532) 3.778 32.051 ( -5.349 0.000 1.951) 5.693 32.161 ( 1.950 0.000 -1.486) 2.451 32.318 ( 8.390 0.000 3.170) 8.969 32.653 ( -11.226 0.000 -2.695) 11.545 32.689 ( -2.233 0.000 3.405) 4.071 33.383 ( -2.884 0.000 0.928) 3.030 33.502 ( -1.769 0.000 2.868) 3.369 33.633 ( -1.043 0.000 -5.466) 5.565 33.702 ( 1.355 0.000 -1.458) 1.991 33.920 ( 3.154 0.000 -6.369) 7.108 34.104 ( 1.930 0.000 -1.169) 2.257 34.458 ( 2.104 0.000 -2.434) 3.218 34.739 ( 1.196 0.000 -2.495) 2.767 34.816 ( 4.398 0.000 0.032) 4.398 35.153 ( 4.446 0.000 -0.468) 4.470 35.939 ( -0.187 0.000 1.955) 1.964 36.202 ( -3.631 0.000 -3.228) 4.859 90.900 ( -1.222 0.000 -1.549) 1.973 90.983 ( 0.886 0.000 1.432) 1.684 91.892 ( -3.990 0.000 3.929) 5.600 91.956 ( 2.156 0.000 5.853) 6.237 93.548 ( 0.176 0.000 -0.421) 0.456 93.599 ( 0.824 0.000 0.910) 1.227 94.266 ( -1.738 0.000 2.975) 3.445 94.451 ( -4.281 0.000 -1.731) 4.618 95.498 ( 21.583 0.000 24.938) 32.981 96.431 ( 38.290 0.000 -16.248) 41.595 97.024 ( -54.612 0.000 46.423) 71.676 97.168 ( -33.356 0.000 -17.538) 37.686 98.052 ( 0.125 0.000 -0.680) 0.692 98.056 ( -0.811 0.000 -0.743) 1.100 98.126 ( 0.625 0.000 0.033) 0.626 98.775 ( -15.788 0.000 -4.128) 16.319 102.391 ( -0.164 0.000 -0.288) 0.331 102.418 ( 0.376 0.000 0.368) 0.526 102.680 ( 1.992 0.000 -0.377) 2.028 102.793 ( 0.609 0.000 -0.976) 1.150 107.568 ( -0.116 0.000 -0.461) 0.476 107.612 ( 0.238 0.000 0.328) 0.406 107.889 ( 1.252 0.000 -1.852) 2.235 107.936 ( 2.405 0.000 0.020) 2.405 ======================= Grid point 4 (5/126) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 0.000 0.000 0.000) 0.000 2.638 ( 0.000 0.000 0.000) 0.000 2.889 ( 0.000 0.000 0.000) 0.000 3.233 ( -0.000 0.000 0.000) 0.000 3.288 ( 0.000 0.000 0.000) 0.000 3.355 ( 0.000 0.000 0.000) 0.000 4.086 ( 0.000 0.000 0.000) 0.000 4.274 ( 0.000 0.000 -0.000) 0.000 4.423 ( 0.000 0.000 0.000) 0.000 4.823 ( 0.000 0.000 0.000) 0.000 4.829 ( -0.000 0.000 0.000) 0.000 4.942 ( 0.000 0.000 0.000) 0.000 6.635 ( 0.000 0.000 0.000) 0.000 6.995 ( -0.000 0.000 0.000) 0.000 7.065 ( 0.000 0.000 0.000) 0.000 7.084 ( 0.000 0.000 0.000) 0.000 7.199 ( 0.000 0.000 0.000) 0.000 7.304 ( 0.000 0.000 0.000) 0.000 7.439 ( 0.000 0.000 0.000) 0.000 7.549 ( 0.000 0.000 0.000) 0.000 7.643 ( -0.000 0.000 0.000) 0.000 7.731 ( -0.000 0.000 0.000) 0.000 7.979 ( -0.000 0.000 0.000) 0.000 8.231 ( 0.000 0.000 0.000) 0.000 8.579 ( -0.000 0.000 0.000) 0.000 8.685 ( 0.000 0.000 0.000) 0.000 8.694 ( 0.000 0.000 0.000) 0.000 8.835 ( -0.000 0.000 0.000) 0.000 9.080 ( 0.000 0.000 0.000) 0.000 9.442 ( 0.000 0.000 0.000) 0.000 9.728 ( 0.000 0.000 0.000) 0.000 9.786 ( -0.000 0.000 0.000) 0.000 10.002 ( 0.000 0.000 0.000) 0.000 10.334 ( 0.000 0.000 0.000) 0.000 10.349 ( -0.000 0.000 0.000) 0.000 10.442 ( 0.000 0.000 0.000) 0.000 10.459 ( 0.000 0.000 0.000) 0.000 10.586 ( 0.000 0.000 0.000) 0.000 10.772 ( 0.000 0.000 0.000) 0.000 10.786 ( -0.000 0.000 0.000) 0.000 10.883 ( -0.000 0.000 0.000) 0.000 10.894 ( 0.000 0.000 0.000) 0.000 11.121 ( 0.000 0.000 0.000) 0.000 11.130 ( 0.000 0.000 0.000) 0.000 11.212 ( 0.000 0.000 0.000) 0.000 11.621 ( -0.000 0.000 0.000) 0.000 11.778 ( 0.000 0.000 0.000) 0.000 11.955 ( -0.000 0.000 0.000) 0.000 11.959 ( 0.000 0.000 0.000) 0.000 12.178 ( 0.000 0.000 0.000) 0.000 12.221 ( 0.000 0.000 -0.000) 0.000 12.225 ( -0.000 0.000 0.000) 0.000 12.282 ( -0.000 0.000 0.000) 0.000 12.468 ( 0.000 0.000 0.000) 0.000 12.497 ( 0.000 0.000 0.000) 0.000 12.504 ( -0.000 0.000 0.000) 0.000 13.012 ( 0.000 0.000 0.000) 0.000 13.047 ( 0.000 0.000 0.000) 0.000 13.172 ( -0.000 0.000 -0.000) 0.000 13.445 ( -0.000 0.000 0.000) 0.000 13.495 ( 0.000 0.000 0.000) 0.000 13.788 ( 0.000 0.000 0.000) 0.000 13.987 ( -0.000 0.000 0.000) 0.000 14.036 ( 0.000 0.000 0.000) 0.000 14.078 ( 0.000 0.000 0.000) 0.000 14.435 ( 0.000 0.000 0.000) 0.000 14.649 ( 0.000 0.000 0.000) 0.000 14.866 ( 0.000 0.000 0.000) 0.000 14.981 ( 0.000 0.000 0.000) 0.000 15.121 ( -0.000 0.000 0.000) 0.000 15.275 ( 0.000 0.000 0.000) 0.000 15.349 ( 0.000 0.000 0.000) 0.000 15.659 ( 0.000 0.000 0.000) 0.000 15.714 ( 0.000 0.000 0.000) 0.000 15.754 ( 0.000 0.000 0.000) 0.000 15.998 ( 0.000 0.000 0.000) 0.000 16.213 ( 0.000 0.000 0.000) 0.000 16.540 ( 0.000 0.000 0.000) 0.000 16.542 ( -0.000 0.000 -0.000) 0.000 16.558 ( 0.000 0.000 0.000) 0.000 17.127 ( 0.000 0.000 0.000) 0.000 17.262 ( 0.000 0.000 0.000) 0.000 17.319 ( 0.000 0.000 -0.000) 0.000 17.555 ( 0.000 0.000 0.000) 0.000 17.782 ( 0.000 0.000 0.000) 0.000 17.984 ( 0.000 0.000 0.000) 0.000 18.179 ( 0.000 0.000 0.000) 0.000 18.191 ( 0.000 0.000 -0.000) 0.000 18.430 ( 0.000 0.000 0.000) 0.000 18.727 ( 0.000 0.000 0.000) 0.000 18.838 ( 0.000 0.000 0.000) 0.000 19.362 ( 0.000 0.000 0.000) 0.000 19.474 ( 0.000 0.000 0.000) 0.000 19.679 ( 0.000 0.000 0.000) 0.000 19.966 ( 0.000 0.000 0.000) 0.000 20.461 ( 0.000 0.000 0.000) 0.000 20.491 ( 0.000 0.000 0.000) 0.000 20.916 ( 0.000 0.000 0.000) 0.000 21.057 ( 0.000 0.000 0.000) 0.000 21.830 ( -0.000 0.000 0.000) 0.000 23.673 ( 0.000 0.000 0.000) 0.000 23.805 ( 0.000 0.000 0.000) 0.000 23.851 ( -0.000 0.000 0.000) 0.000 24.419 ( 0.000 0.000 0.000) 0.000 24.875 ( 0.000 0.000 0.000) 0.000 25.026 ( 0.000 0.000 0.000) 0.000 25.081 ( 0.000 0.000 0.000) 0.000 25.152 ( 0.000 0.000 0.000) 0.000 25.693 ( 0.000 0.000 -0.000) 0.000 25.980 ( 0.000 0.000 0.000) 0.000 26.595 ( 0.000 0.000 0.000) 0.000 26.687 ( -0.000 0.000 0.000) 0.000 27.217 ( 0.000 0.000 0.000) 0.000 27.289 ( 0.000 0.000 0.000) 0.000 27.451 ( 0.000 0.000 -0.000) 0.000 27.662 ( 0.000 0.000 0.000) 0.000 29.054 ( 0.000 0.000 0.000) 0.000 29.115 ( 0.000 0.000 0.000) 0.000 29.299 ( 0.000 0.000 0.000) 0.000 29.688 ( 0.000 0.000 0.000) 0.000 29.821 ( 0.000 0.000 0.000) 0.000 29.856 ( 0.000 0.000 0.000) 0.000 30.591 ( 0.000 0.000 0.000) 0.000 30.710 ( 0.000 0.000 0.000) 0.000 31.432 ( 0.000 0.000 0.000) 0.000 31.480 ( 0.000 0.000 0.000) 0.000 31.978 ( 0.000 0.000 0.000) 0.000 32.022 ( 0.000 0.000 0.000) 0.000 32.177 ( 0.000 0.000 0.000) 0.000 32.404 ( 0.000 0.000 0.000) 0.000 32.538 ( 0.000 0.000 0.000) 0.000 32.699 ( 0.000 0.000 0.000) 0.000 33.370 ( 0.000 0.000 0.000) 0.000 33.531 ( 0.000 0.000 -0.000) 0.000 33.550 ( 0.000 0.000 0.000) 0.000 33.708 ( 0.000 0.000 0.000) 0.000 33.899 ( 0.000 0.000 0.000) 0.000 34.113 ( 0.000 0.000 0.000) 0.000 34.458 ( 0.000 0.000 0.000) 0.000 34.732 ( 0.000 0.000 0.000) 0.000 34.851 ( 0.000 0.000 0.000) 0.000 35.183 ( 0.000 0.000 0.000) 0.000 35.951 ( 0.000 0.000 0.000) 0.000 36.150 ( 0.000 0.000 0.000) 0.000 90.880 ( 0.000 0.000 0.000) 0.000 91.000 ( 0.000 0.000 0.000) 0.000 91.888 ( 0.000 0.000 0.000) 0.000 92.012 ( 0.000 0.000 0.000) 0.000 93.546 ( 0.000 0.000 0.000) 0.000 93.614 ( 0.000 0.000 0.000) 0.000 94.272 ( 0.000 0.000 0.000) 0.000 94.409 ( 0.000 0.000 0.000) 0.000 96.168 ( -0.000 0.000 -0.000) 0.000 96.438 ( 0.000 0.000 0.000) 0.000 96.693 ( 0.000 0.000 -0.000) 0.000 96.836 ( -0.000 0.000 0.000) 0.000 98.045 ( 0.000 0.000 0.000) 0.000 98.049 ( 0.000 0.000 0.000) 0.000 98.131 ( 0.000 0.000 0.000) 0.000 98.639 ( 0.000 0.000 0.000) 0.000 102.388 ( 0.000 0.000 0.000) 0.000 102.423 ( 0.000 0.000 0.000) 0.000 102.693 ( 0.000 0.000 0.000) 0.000 102.791 ( 0.000 0.000 0.000) 0.000 107.564 ( 0.000 0.000 0.000) 0.000 107.616 ( 0.000 0.000 0.000) 0.000 107.886 ( 0.000 0.000 0.000) 0.000 107.955 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/126) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( 0.000 27.169 0.000) 27.169 0.999 ( 0.000 49.893 0.000) 49.893 1.479 ( 0.000 72.257 0.000) 72.257 1.931 ( 0.000 23.177 0.000) 23.177 2.322 ( 0.000 46.508 0.000) 46.508 3.859 ( 0.000 17.470 0.000) 17.470 3.927 ( 0.000 30.990 0.000) 30.990 4.556 ( 0.000 17.728 0.000) 17.728 4.832 ( 0.000 1.325 0.000) 1.325 5.920 ( 0.000 -2.984 0.000) 2.984 6.134 ( 0.000 2.488 0.000) 2.488 6.441 ( 0.000 -1.251 0.000) 1.251 6.807 ( 0.000 -17.114 0.000) 17.114 7.021 ( 0.000 -11.440 0.000) 11.440 7.224 ( 0.000 -2.941 0.000) 2.941 7.262 ( 0.000 -3.799 0.000) 3.799 7.312 ( 0.000 -5.248 0.000) 5.248 7.470 ( 0.000 -15.548 0.000) 15.548 7.634 ( 0.000 -8.076 0.000) 8.076 7.707 ( 0.000 3.558 0.000) 3.558 8.016 ( 0.000 5.302 0.000) 5.302 8.030 ( 0.000 -8.324 0.000) 8.324 8.073 ( 0.000 -1.813 0.000) 1.813 8.188 ( 0.000 -18.746 0.000) 18.746 8.357 ( 0.000 -18.680 0.000) 18.680 8.394 ( 0.000 -7.571 0.000) 7.571 8.568 ( 0.000 -2.173 0.000) 2.173 8.612 ( 0.000 -13.530 0.000) 13.530 8.686 ( 0.000 8.601 0.000) 8.601 8.898 ( 0.000 -0.445 0.000) 0.445 9.138 ( 0.000 -0.565 0.000) 0.565 9.170 ( 0.000 -1.320 0.000) 1.320 9.626 ( 0.000 0.915 0.000) 0.915 9.672 ( 0.000 5.009 0.000) 5.009 9.916 ( 0.000 14.648 0.000) 14.648 10.299 ( 0.000 2.844 0.000) 2.844 10.379 ( 0.000 17.459 0.000) 17.459 10.400 ( 0.000 8.698 0.000) 8.698 10.723 ( 0.000 -4.970 0.000) 4.970 10.863 ( 0.000 12.773 0.000) 12.773 10.901 ( 0.000 -0.884 0.000) 0.884 10.992 ( 0.000 13.140 0.000) 13.140 11.202 ( 0.000 7.490 0.000) 7.490 11.372 ( 0.000 -4.959 0.000) 4.959 11.580 ( 0.000 -3.255 0.000) 3.255 11.596 ( 0.000 -2.263 0.000) 2.263 11.866 ( 0.000 -0.345 0.000) 0.345 11.867 ( 0.000 -10.742 0.000) 10.742 12.048 ( 0.000 0.255 0.000) 0.255 12.154 ( 0.000 -15.987 0.000) 15.987 12.273 ( 0.000 -11.036 0.000) 11.036 12.296 ( 0.000 -4.795 0.000) 4.795 12.447 ( 0.000 -0.239 0.000) 0.239 12.703 ( 0.000 9.949 0.000) 9.949 12.767 ( 0.000 -9.021 0.000) 9.021 12.994 ( 0.000 -21.651 0.000) 21.651 13.080 ( 0.000 -0.774 0.000) 0.774 13.153 ( 0.000 -6.255 0.000) 6.255 13.241 ( 0.000 3.406 0.000) 3.406 13.273 ( 0.000 9.248 0.000) 9.248 13.352 ( 0.000 6.939 0.000) 6.939 13.532 ( 0.000 1.761 0.000) 1.761 13.791 ( 0.000 15.906 0.000) 15.906 14.008 ( 0.000 16.324 0.000) 16.324 14.721 ( 0.000 2.336 0.000) 2.336 14.730 ( 0.000 -2.571 0.000) 2.571 14.881 ( 0.000 2.993 0.000) 2.993 14.975 ( 0.000 1.066 0.000) 1.066 15.103 ( 0.000 -5.050 0.000) 5.050 15.243 ( 0.000 -2.564 0.000) 2.564 15.369 ( 0.000 -5.602 0.000) 5.602 15.483 ( 0.000 4.560 0.000) 4.560 15.735 ( 0.000 0.064 0.000) 0.064 15.798 ( 0.000 11.269 0.000) 11.269 15.900 ( 0.000 -2.423 0.000) 2.423 16.124 ( 0.000 -2.519 0.000) 2.519 16.141 ( 0.000 1.966 0.000) 1.966 16.186 ( 0.000 -2.738 0.000) 2.738 16.245 ( 0.000 -0.661 0.000) 0.661 16.504 ( 0.000 -2.121 0.000) 2.121 16.552 ( 0.000 -8.251 0.000) 8.251 16.761 ( 0.000 5.493 0.000) 5.493 16.859 ( 0.000 3.631 0.000) 3.631 17.407 ( 0.000 -7.562 0.000) 7.562 17.750 ( 0.000 -4.998 0.000) 4.998 17.890 ( 0.000 -1.927 0.000) 1.927 17.916 ( 0.000 -1.245 0.000) 1.245 18.326 ( 0.000 5.825 0.000) 5.825 18.547 ( 0.000 -0.518 0.000) 0.518 18.643 ( 0.000 -2.641 0.000) 2.641 18.803 ( 0.000 4.899 0.000) 4.899 19.458 ( 0.000 -1.770 0.000) 1.770 19.554 ( 0.000 0.430 0.000) 0.430 19.589 ( 0.000 2.832 0.000) 2.832 19.629 ( 0.000 -1.257 0.000) 1.257 20.449 ( 0.000 -0.562 0.000) 0.562 20.777 ( 0.000 4.883 0.000) 4.883 20.797 ( 0.000 -11.249 0.000) 11.249 21.199 ( 0.000 5.570 0.000) 5.570 22.371 ( 0.000 -8.984 0.000) 8.984 23.619 ( 0.000 5.585 0.000) 5.585 24.283 ( 0.000 1.757 0.000) 1.757 24.414 ( 0.000 -2.002 0.000) 2.002 24.469 ( 0.000 10.044 0.000) 10.044 24.730 ( 0.000 -16.250 0.000) 16.250 25.037 ( 0.000 2.180 0.000) 2.180 25.190 ( 0.000 -3.232 0.000) 3.232 25.317 ( 0.000 5.302 0.000) 5.302 25.634 ( 0.000 -5.688 0.000) 5.688 25.741 ( 0.000 -1.642 0.000) 1.642 26.156 ( 0.000 6.151 0.000) 6.151 26.235 ( 0.000 5.371 0.000) 5.371 27.512 ( 0.000 -6.040 0.000) 6.040 27.671 ( 0.000 -3.511 0.000) 3.511 27.947 ( 0.000 6.921 0.000) 6.921 28.115 ( 0.000 5.872 0.000) 5.872 28.738 ( 0.000 0.952 0.000) 0.952 29.085 ( 0.000 -2.653 0.000) 2.653 29.242 ( 0.000 2.802 0.000) 2.802 29.642 ( 0.000 -5.810 0.000) 5.810 29.733 ( 0.000 6.666 0.000) 6.666 29.925 ( 0.000 5.203 0.000) 5.203 30.272 ( 0.000 0.159 0.000) 0.159 30.367 ( 0.000 -2.014 0.000) 2.014 31.572 ( 0.000 -3.079 0.000) 3.079 31.591 ( 0.000 1.178 0.000) 1.178 31.658 ( 0.000 -0.908 0.000) 0.908 32.077 ( 0.000 -1.913 0.000) 1.913 32.247 ( 0.000 -0.236 0.000) 0.236 32.371 ( 0.000 -3.569 0.000) 3.569 32.751 ( 0.000 -5.307 0.000) 5.307 33.108 ( 0.000 -3.529 0.000) 3.529 33.255 ( 0.000 -6.145 0.000) 6.145 33.303 ( 0.000 11.118 0.000) 11.118 33.746 ( 0.000 -0.434 0.000) 0.434 33.919 ( 0.000 6.467 0.000) 6.467 33.925 ( 0.000 4.432 0.000) 4.432 34.203 ( 0.000 -5.055 0.000) 5.055 34.630 ( 0.000 -1.390 0.000) 1.390 34.639 ( 0.000 8.845 0.000) 8.845 34.874 ( 0.000 -2.059 0.000) 2.059 34.946 ( 0.000 10.974 0.000) 10.974 35.791 ( 0.000 -0.243 0.000) 0.243 36.442 ( 0.000 -0.064 0.000) 0.064 90.942 ( 0.000 0.487 0.000) 0.487 91.030 ( 0.000 1.095 0.000) 1.095 91.543 ( 0.000 -1.724 0.000) 1.724 91.636 ( 0.000 -1.602 0.000) 1.602 93.581 ( 0.000 2.192 0.000) 2.192 93.627 ( 0.000 1.825 0.000) 1.825 94.206 ( 0.000 -0.765 0.000) 0.765 94.797 ( 0.000 -3.525 0.000) 3.525 94.869 ( 0.000 0.211 0.000) 0.211 95.123 ( 0.000 -2.414 0.000) 2.414 95.471 ( 0.000 -2.745 0.000) 2.745 97.817 ( 0.000 -1.580 0.000) 1.580 97.971 ( 0.000 -9.839 0.000) 9.839 98.068 ( 0.000 -0.983 0.000) 0.983 98.867 ( 0.000 5.079 0.000) 5.079 99.536 ( 0.000 -10.355 0.000) 10.355 102.391 ( 0.000 0.694 0.000) 0.694 102.417 ( 0.000 0.847 0.000) 0.847 102.598 ( 0.000 4.774 0.000) 4.774 102.985 ( 0.000 0.042 0.000) 0.042 107.582 ( 0.000 -0.022 0.000) 0.022 107.590 ( 0.000 0.001 0.000) 0.001 107.732 ( 0.000 -0.110 0.000) 0.110 107.852 ( 0.000 -0.966 0.000) 0.966 ======================= Grid point 10 (7/126) ======================= q-point: ( 0.12 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 8.993 24.188 31.105) 40.416 1.269 ( 17.507 24.931 38.367) 48.990 1.873 ( 40.106 50.899 -4.105) 64.931 1.984 ( 24.947 24.481 -6.925) 35.632 2.616 ( 35.484 44.999 -0.169) 57.307 3.675 ( -30.733 15.001 11.390) 36.045 3.876 ( -9.472 29.920 2.440) 31.478 4.377 ( -17.902 20.488 3.251) 27.401 5.054 ( 24.111 0.409 -12.314) 27.077 5.814 ( -9.601 -1.840 -10.446) 14.307 5.914 ( -4.845 1.824 -8.804) 10.213 6.491 ( -26.100 -16.686 3.840) 31.214 6.682 ( 7.365 -4.364 1.509) 8.692 6.994 ( -20.146 -14.641 -2.811) 25.062 7.083 ( -2.089 -9.241 -1.736) 9.632 7.199 ( -7.715 -3.399 0.298) 8.435 7.307 ( 2.566 -0.767 -0.074) 2.679 7.456 ( -3.763 -5.013 -1.372) 6.417 7.624 ( 0.159 -8.017 -4.362) 9.128 7.779 ( 4.733 -4.765 0.159) 6.718 7.954 ( -11.706 4.976 2.487) 12.960 7.990 ( -2.276 3.068 -0.674) 3.879 8.010 ( -5.002 -1.100 -2.529) 5.712 8.274 ( -0.228 -4.322 0.380) 4.344 8.372 ( 7.445 -10.473 1.392) 12.924 8.547 ( 7.752 -13.325 2.390) 15.600 8.557 ( -0.171 -7.430 2.087) 7.720 8.614 ( 8.827 -8.904 -1.801) 12.667 8.736 ( 11.352 -8.631 0.217) 14.262 8.938 ( 6.649 -7.350 -2.078) 10.127 9.139 ( 1.900 -3.185 -2.046) 4.236 9.300 ( 12.658 -0.656 -0.552) 12.687 9.546 ( -3.690 3.978 -1.192) 5.555 9.771 ( 5.409 -0.117 2.987) 6.180 9.987 ( 7.730 16.914 1.724) 18.676 10.327 ( -0.904 8.089 2.662) 8.564 10.367 ( 3.117 6.070 2.856) 7.397 10.564 ( 14.205 10.714 0.965) 17.818 10.713 ( -0.703 -3.160 -0.300) 3.251 10.816 ( -2.955 6.744 -0.933) 7.422 10.952 ( 1.988 3.394 1.130) 4.092 11.003 ( 1.548 10.844 0.083) 10.954 11.240 ( 0.885 9.313 3.224) 9.895 11.283 ( -2.765 -0.078 -3.421) 4.399 11.574 ( -3.714 -8.538 -0.446) 9.322 11.602 ( -0.750 -3.126 2.082) 3.830 11.701 ( -1.029 -1.117 1.083) 1.865 11.949 ( -4.282 -2.692 -5.125) 7.200 12.001 ( 1.193 -0.510 0.088) 1.300 12.182 ( -1.784 -11.119 1.671) 11.384 12.214 ( -6.341 -4.225 -1.095) 7.698 12.252 ( -2.935 -5.483 1.289) 6.351 12.581 ( -0.251 -11.786 4.634) 12.666 12.697 ( 1.255 6.766 -2.377) 7.280 12.763 ( -2.945 -10.438 0.253) 10.848 12.923 ( -9.344 -1.028 -4.053) 10.237 13.031 ( -0.446 -19.547 -2.186) 19.674 13.149 ( -7.626 1.737 13.112) 15.268 13.165 ( -6.306 5.594 -2.429) 8.772 13.302 ( 6.621 -0.029 -10.000) 11.993 13.372 ( 0.002 1.066 3.375) 3.539 13.606 ( 6.451 7.206 3.143) 10.169 13.828 ( 5.820 13.308 0.641) 14.539 14.021 ( 5.270 16.720 -5.402) 18.344 14.666 ( -2.404 -0.567 -2.342) 3.404 14.675 ( -10.089 1.068 1.644) 10.278 14.818 ( -6.528 2.945 0.851) 7.212 14.934 ( -4.181 -0.499 -1.428) 4.446 15.065 ( -1.616 -3.087 -1.686) 3.871 15.243 ( -0.992 -1.441 0.007) 1.749 15.447 ( 2.836 -3.970 1.923) 5.244 15.512 ( 6.008 1.677 -3.446) 7.126 15.669 ( -2.701 -0.103 -2.663) 3.795 15.774 ( -4.699 7.982 0.405) 9.272 15.893 ( -6.679 1.694 -1.934) 7.156 15.935 ( 6.134 0.789 -4.964) 7.930 16.226 ( -1.658 -0.370 3.460) 3.854 16.226 ( -0.130 -1.222 -2.657) 2.927 16.268 ( 3.832 -2.613 -0.638) 4.682 16.561 ( 0.839 3.740 4.783) 6.129 16.616 ( 3.487 -2.123 4.601) 6.151 16.767 ( -5.466 8.122 4.074) 10.604 16.945 ( 11.795 0.962 -10.849) 16.055 17.116 ( 13.550 3.126 0.124) 13.906 17.835 ( -2.297 -3.915 3.652) 5.826 17.924 ( 4.389 0.545 -1.373) 4.631 17.953 ( -3.106 -6.265 6.455) 9.516 18.299 ( 0.195 4.965 -4.658) 6.811 18.533 ( -0.873 -1.354 -1.946) 2.527 18.650 ( 3.089 -1.118 -1.674) 3.687 18.798 ( -0.846 5.917 -0.790) 6.029 18.840 ( -5.920 13.857 -10.128) 18.156 19.540 ( -0.939 0.239 1.505) 1.790 19.556 ( -1.050 0.319 0.670) 1.286 20.430 ( 2.569 -12.299 8.006) 14.898 20.622 ( 1.976 -18.245 9.421) 20.628 20.787 ( 5.243 1.771 2.530) 6.085 20.946 ( 6.560 -12.859 10.143) 17.643 21.159 ( 1.127 -1.742 3.260) 3.864 22.158 ( -14.425 -4.954 -13.294) 20.232 23.638 ( 1.424 3.465 0.639) 3.800 24.145 ( -1.329 2.681 -12.710) 13.058 24.378 ( -6.448 2.387 -1.061) 6.957 24.410 ( -0.261 -6.257 -0.417) 6.276 24.960 ( 2.368 -0.497 -4.977) 5.534 25.021 ( -1.064 -7.297 2.819) 7.894 25.247 ( 4.368 -5.917 9.329) 11.880 25.260 ( 2.319 6.290 2.587) 7.185 25.705 ( -5.352 -1.620 8.009) 9.768 25.763 ( -0.407 1.697 -3.715) 4.105 26.104 ( -0.224 1.477 7.192) 7.346 26.374 ( -3.614 -2.171 16.561) 17.089 27.413 ( -7.359 -5.540 -2.899) 9.657 27.646 ( -25.282 13.113 9.049) 29.883 27.878 ( 5.999 3.691 2.985) 7.650 27.915 ( -5.004 6.682 -14.529) 16.756 28.894 ( 3.729 -1.729 1.794) 4.485 28.979 ( 3.505 1.776 -2.792) 4.820 29.389 ( 5.035 -0.597 8.231) 9.668 29.514 ( -7.644 0.755 -5.039) 9.187 29.721 ( 0.109 2.819 -2.668) 3.883 29.934 ( -4.218 8.216 3.570) 9.901 30.194 ( 11.096 2.566 -14.471) 18.415 30.390 ( 11.571 2.126 -3.673) 12.325 31.396 ( -7.772 1.008 -1.968) 8.080 31.676 ( 1.847 -0.991 0.745) 2.224 31.807 ( 10.202 -3.475 5.121) 11.933 32.054 ( -0.055 -2.114 -3.036) 3.700 32.223 ( -5.271 0.773 0.424) 5.344 32.270 ( -3.848 4.252 -1.298) 5.880 32.678 ( -5.169 -2.021 2.308) 6.011 33.031 ( -8.017 -2.922 -2.662) 8.938 33.288 ( 4.902 -8.269 0.044) 9.613 33.437 ( 11.675 -0.091 -6.741) 13.481 33.751 ( 1.999 -0.535 -2.469) 3.221 33.807 ( -9.617 6.085 2.027) 11.560 34.009 ( 3.893 5.991 0.494) 7.162 34.158 ( 5.633 -2.004 -11.585) 13.036 34.565 ( 0.724 7.823 -6.241) 10.034 34.657 ( 2.900 -0.435 -0.454) 2.968 34.887 ( 1.842 6.098 -0.844) 6.426 34.989 ( 8.302 4.971 -2.851) 10.087 35.842 ( 1.523 -2.141 3.087) 4.054 36.408 ( -2.614 0.011 -2.424) 3.565 90.935 ( 0.265 0.775 -0.101) 0.825 91.010 ( -1.179 1.220 -1.480) 2.251 91.682 ( 1.161 -1.925 5.718) 6.144 91.752 ( -7.391 -10.174 21.759) 25.131 93.579 ( 0.183 2.287 -0.434) 2.335 93.611 ( -0.312 2.098 -1.033) 2.359 94.217 ( -1.160 -0.759 2.827) 3.148 94.740 ( -9.693 -2.224 -0.881) 9.983 94.851 ( 2.012 -0.104 2.553) 3.252 95.632 ( 23.253 -7.416 -1.684) 24.465 95.986 ( -18.672 -49.388 94.366) 108.133 97.793 ( -4.307 -3.930 -0.151) 5.833 97.960 ( 1.512 -10.518 -4.256) 11.447 98.043 ( -3.575 -0.526 1.095) 3.776 98.650 ( -23.635 16.745 4.615) 29.332 99.480 ( -11.278 -6.551 0.345) 13.047 102.397 ( 0.434 0.704 0.364) 0.903 102.410 ( -0.310 0.754 -0.389) 0.904 102.619 ( 1.888 2.997 0.437) 3.569 102.920 ( -1.820 4.248 -4.040) 6.138 107.585 ( -0.085 -0.071 -0.476) 0.488 107.589 ( 0.451 0.034 0.314) 0.551 107.804 ( 6.962 -4.108 -1.943) 8.313 107.862 ( 1.987 -1.251 -0.793) 2.478 ======================= Grid point 11 (8/126) ======================= q-point: ( 0.25 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 29.243 19.830 13.654) 37.879 2.050 ( 20.708 13.448 25.119) 35.223 2.241 ( 24.782 10.220 14.226) 30.347 2.681 ( 53.338 35.898 3.183) 64.372 3.244 ( 51.350 37.337 -2.365) 63.533 3.400 ( -35.360 13.982 25.049) 45.534 3.716 ( -18.376 25.659 4.385) 31.864 4.144 ( -17.102 23.576 -0.700) 29.134 4.956 ( 1.728 -0.501 -29.858) 29.913 5.378 ( -20.184 -0.394 -17.114) 26.466 5.933 ( -13.901 -8.026 -0.552) 16.061 6.122 ( -4.198 -6.695 3.233) 8.538 6.432 ( -34.698 -8.333 -7.378) 36.439 6.937 ( 16.346 -5.861 -5.273) 18.148 7.038 ( -3.374 -5.674 -0.052) 6.602 7.103 ( -6.359 -2.764 0.299) 6.940 7.283 ( -4.676 -2.089 -0.638) 5.161 7.348 ( -8.377 0.350 -0.103) 8.385 7.594 ( -0.576 -2.656 -0.773) 2.826 7.706 ( -12.180 -1.134 -3.873) 12.831 7.777 ( -3.309 0.443 -2.540) 4.195 7.870 ( -8.561 -0.194 -1.712) 8.733 8.044 ( -1.311 1.675 7.801) 8.086 8.216 ( -5.699 1.552 -0.088) 5.907 8.480 ( 7.101 -4.631 -2.494) 8.837 8.555 ( -1.453 -4.511 4.309) 6.405 8.634 ( 0.889 -3.033 1.780) 3.628 8.838 ( 0.930 -4.120 -1.396) 4.448 8.923 ( 22.431 -21.827 -1.060) 31.316 9.099 ( 15.585 -15.064 -2.858) 21.863 9.210 ( 20.611 -13.511 -1.099) 24.669 9.441 ( 9.233 -0.571 -3.032) 9.735 9.546 ( 1.531 -0.138 4.221) 4.493 9.877 ( 2.905 -3.889 3.972) 6.272 10.143 ( 9.974 15.393 0.835) 18.361 10.355 ( -0.267 4.158 2.102) 4.667 10.471 ( 4.529 4.455 3.333) 7.174 10.706 ( -0.012 -0.717 -0.456) 0.850 10.760 ( 5.978 5.557 -2.543) 8.549 10.772 ( 0.976 4.866 1.752) 5.263 10.932 ( -4.192 1.328 -0.092) 4.398 11.044 ( 3.235 9.859 1.244) 10.451 11.246 ( -5.096 4.175 2.465) 7.034 11.292 ( 6.279 7.010 -2.909) 9.851 11.526 ( -3.593 -5.802 4.947) 8.428 11.638 ( 2.589 -0.877 0.938) 2.890 11.763 ( 1.100 0.824 5.562) 5.729 11.837 ( -4.056 2.181 0.360) 4.619 12.001 ( -3.731 -0.308 1.510) 4.037 12.062 ( -4.084 0.236 -5.834) 7.125 12.128 ( -5.365 -0.487 1.650) 5.635 12.286 ( -1.633 -15.861 4.061) 16.454 12.522 ( -6.719 -8.171 -3.021) 11.002 12.643 ( 1.221 5.888 -8.893) 10.735 12.707 ( -5.214 -9.502 -0.148) 10.840 12.722 ( -11.236 0.101 -1.538) 11.341 12.935 ( -7.173 -9.963 -3.798) 12.851 13.053 ( -2.177 4.301 -4.433) 6.549 13.136 ( -10.964 1.061 2.787) 11.362 13.343 ( 11.646 -9.952 0.228) 15.321 13.443 ( 3.548 0.330 2.825) 4.548 13.715 ( 3.873 4.031 0.431) 5.607 13.969 ( 5.175 13.907 3.307) 15.203 14.002 ( 7.427 16.063 -7.543) 19.237 14.486 ( -15.327 2.226 -1.533) 15.563 14.627 ( 0.517 -3.097 -2.151) 3.806 14.719 ( -7.575 1.976 0.353) 7.837 14.866 ( -2.554 -1.199 -0.505) 2.866 15.028 ( -1.241 -1.911 -1.223) 2.587 15.188 ( -2.528 0.034 -5.195) 5.778 15.388 ( -6.983 0.693 0.732) 7.055 15.596 ( 7.103 -0.279 -1.808) 7.335 15.651 ( -2.776 3.176 -1.176) 4.379 15.701 ( 0.346 2.139 -0.177) 2.174 15.835 ( -3.637 3.145 1.292) 4.979 15.946 ( 2.077 6.300 -8.136) 10.497 16.150 ( 3.984 -1.934 -0.196) 4.433 16.273 ( 4.055 0.719 -0.207) 4.124 16.347 ( 0.169 -6.922 7.528) 10.228 16.670 ( 0.258 6.931 6.690) 9.637 16.749 ( 5.110 -1.785 9.349) 10.803 16.826 ( 4.761 -0.359 7.797) 9.143 17.100 ( 13.783 -6.583 -3.919) 15.769 17.400 ( 12.418 -0.322 7.627) 14.577 17.836 ( -0.260 -5.799 -1.526) 6.002 17.953 ( 2.135 1.337 0.600) 2.590 18.017 ( 2.409 1.516 5.486) 6.181 18.222 ( -1.173 4.425 -4.456) 6.388 18.491 ( 0.022 0.837 -2.462) 2.601 18.688 ( 5.277 -2.058 -2.462) 6.176 18.729 ( -0.331 5.570 -1.691) 5.831 18.845 ( 4.766 5.718 1.297) 7.555 19.526 ( -2.013 0.587 0.889) 2.278 19.582 ( -0.109 -1.276 3.384) 3.618 20.484 ( -2.878 -10.199 -0.328) 10.602 20.603 ( -2.261 -9.747 0.586) 10.023 20.814 ( -8.211 3.998 -11.412) 14.616 20.933 ( 8.083 3.430 2.146) 9.039 21.399 ( -0.903 -13.993 6.991) 15.668 21.695 ( -18.235 -9.312 -12.644) 24.065 23.672 ( 2.036 4.025 0.779) 4.577 23.969 ( -1.174 3.599 -11.265) 11.884 24.208 ( -11.403 -0.047 -4.083) 12.112 24.433 ( 2.044 -7.934 -0.100) 8.194 24.840 ( -3.631 0.055 -6.308) 7.279 24.973 ( -6.708 -7.107 1.938) 9.963 25.299 ( 1.837 6.887 0.302) 7.134 25.449 ( -2.375 6.562 4.867) 8.508 25.627 ( -2.405 -2.820 -5.273) 6.445 25.857 ( 7.821 3.380 15.181) 17.408 26.182 ( -3.512 3.483 3.023) 5.797 26.562 ( -0.813 -10.794 19.487) 22.292 27.254 ( -9.041 -3.121 -3.064) 10.044 27.466 ( -14.917 15.160 11.726) 24.287 27.667 ( -5.398 7.191 -8.795) 12.578 27.994 ( 6.037 0.663 -9.493) 11.270 28.819 ( 1.065 -0.052 0.287) 1.104 29.210 ( 9.281 1.530 7.464) 12.008 29.342 ( -3.930 -0.415 -5.432) 6.717 29.558 ( 1.339 0.321 6.068) 6.222 29.663 ( 0.674 1.578 -3.572) 3.963 29.909 ( -2.783 5.812 1.341) 6.582 30.305 ( 16.117 -1.109 -2.831) 16.401 30.521 ( 9.725 -0.338 -2.518) 10.052 31.331 ( 0.357 1.927 0.639) 2.062 31.708 ( -0.724 -0.647 0.816) 1.268 31.922 ( 2.146 -4.250 -3.538) 5.932 32.061 ( 4.862 -4.379 -0.008) 6.544 32.139 ( -7.158 1.492 2.046) 7.593 32.248 ( 1.142 4.620 0.873) 4.838 32.659 ( -3.158 -1.018 3.667) 4.945 32.854 ( -10.581 -2.318 -3.330) 11.332 33.339 ( 1.141 -7.520 0.864) 7.655 33.472 ( 5.150 0.095 -5.280) 7.376 33.710 ( -6.421 3.430 1.690) 7.473 33.731 ( -0.087 0.693 -2.938) 3.020 34.025 ( 2.527 4.742 -5.912) 7.989 34.124 ( 3.461 2.029 -2.916) 4.959 34.521 ( 2.165 5.131 -4.597) 7.222 34.687 ( 2.000 -1.764 -0.797) 2.783 34.917 ( 5.028 10.896 -2.289) 12.217 35.084 ( 7.908 1.976 -1.522) 8.292 35.896 ( 0.563 -1.199 3.039) 3.315 36.313 ( -4.336 0.044 -4.044) 5.930 90.941 ( -0.329 0.257 -0.466) 0.626 90.975 ( -0.509 1.678 -0.440) 1.807 91.798 ( 1.916 -2.740 8.174) 8.831 91.837 ( -6.180 -5.762 9.925) 13.035 93.573 ( 0.057 2.223 -0.761) 2.350 93.604 ( 0.430 2.114 0.064) 2.158 94.239 ( -1.961 -0.795 4.074) 4.591 94.574 ( -8.042 -0.136 -2.755) 8.502 95.014 ( 7.894 -2.719 12.142) 14.736 95.968 ( 31.409 -9.290 -8.758) 33.905 96.561 ( -37.255 -41.515 64.662) 85.397 97.606 ( -20.518 -12.661 -4.707) 24.566 97.919 ( 0.236 -5.068 -2.275) 5.560 98.019 ( -1.129 -2.654 0.270) 2.897 98.450 ( -8.312 19.288 0.978) 21.025 99.223 ( -21.077 2.827 -1.448) 21.315 102.401 ( -0.201 0.516 -0.414) 0.691 102.411 ( 0.532 0.683 0.544) 1.023 102.656 ( 3.149 2.014 -0.341) 3.753 102.863 ( -0.904 4.108 -2.173) 4.734 107.576 ( -0.136 -0.074 -0.630) 0.649 107.601 ( 0.481 0.019 0.447) 0.657 107.851 ( 3.626 -3.171 -2.067) 5.242 107.885 ( 2.478 -1.422 -0.639) 2.928 ======================= Grid point 12 (9/126) ======================= q-point: ( 0.38 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 28.342 22.639 7.663) 37.075 2.529 ( 34.910 7.401 -5.385) 36.090 2.871 ( 11.682 20.249 30.187) 38.180 3.254 ( -10.643 10.492 20.624) 25.470 3.388 ( -12.890 10.600 19.782) 25.881 3.529 ( -4.123 15.334 2.872) 16.136 3.896 ( 21.153 22.654 -8.745) 32.205 4.050 ( 40.955 30.348 1.615) 50.999 4.548 ( -0.100 1.749 -28.701) 28.755 4.875 ( -18.633 1.344 -14.036) 23.366 5.421 ( -42.092 -2.148 0.931) 42.157 5.745 ( -40.354 1.675 -13.176) 42.484 6.379 ( 18.478 -5.842 -0.290) 19.382 6.983 ( -5.513 -7.183 1.027) 9.113 7.026 ( -3.222 1.161 2.194) 4.067 7.094 ( 11.603 -5.598 -4.397) 13.613 7.199 ( -4.685 -2.256 -1.688) 5.467 7.250 ( -5.173 -1.069 0.695) 5.328 7.481 ( -6.852 -1.701 -2.813) 7.600 7.587 ( -2.372 -4.008 -1.461) 4.882 7.671 ( -10.300 1.221 2.022) 10.567 7.813 ( 1.681 6.093 -0.404) 6.334 8.109 ( 0.442 -4.584 2.587) 5.283 8.138 ( -5.531 4.850 1.993) 7.622 8.537 ( 6.155 -5.179 -2.841) 8.532 8.591 ( -0.335 -3.040 2.526) 3.966 8.650 ( -0.458 -4.521 0.288) 4.553 8.767 ( -5.134 -7.156 -1.177) 8.885 9.032 ( 2.574 -5.622 -2.489) 6.665 9.389 ( 12.712 -4.490 0.828) 13.507 9.521 ( 20.836 -17.046 -0.466) 26.924 9.583 ( 7.904 -6.934 0.503) 10.526 9.707 ( 22.558 -11.855 2.043) 25.565 9.942 ( -0.141 -6.379 2.623) 6.898 10.252 ( 4.377 3.489 -1.013) 5.688 10.362 ( -2.823 -3.531 1.757) 4.851 10.530 ( -8.702 1.979 2.991) 9.412 10.640 ( -8.150 -1.934 -1.661) 8.540 10.674 ( -3.562 -4.907 1.482) 6.242 10.801 ( 0.966 1.627 -2.112) 2.836 10.956 ( 4.161 9.856 0.582) 10.714 11.138 ( 6.478 12.568 1.825) 14.256 11.201 ( -0.699 3.786 -0.283) 3.860 11.318 ( 1.890 10.832 -3.360) 11.498 11.509 ( -1.655 12.038 -3.513) 12.649 11.723 ( 3.111 3.871 2.855) 5.728 11.831 ( -2.643 4.918 8.384) 10.073 11.863 ( -0.758 0.177 5.348) 5.405 11.976 ( 2.008 -1.362 3.062) 3.907 12.027 ( 0.010 -2.406 2.164) 3.235 12.109 ( 3.157 -3.747 -1.384) 5.091 12.261 ( -5.715 -10.840 0.782) 12.279 12.362 ( -8.320 -3.321 -3.912) 9.776 12.521 ( -5.125 -1.300 -7.128) 8.875 12.556 ( -4.459 6.619 -2.875) 8.483 12.630 ( -4.288 -8.650 -3.605) 10.306 12.806 ( -5.302 -6.989 2.329) 9.076 12.983 ( -1.584 -2.148 -4.985) 5.654 13.012 ( -4.130 -5.565 -2.211) 7.274 13.518 ( 8.147 -10.401 -1.208) 13.268 13.539 ( 6.073 3.420 4.196) 8.135 13.734 ( -1.847 7.091 0.312) 7.335 13.931 ( -1.458 11.094 -0.487) 11.200 14.163 ( 7.315 6.853 -0.473) 10.035 14.255 ( -7.833 9.214 -1.019) 12.136 14.598 ( -3.937 1.956 -2.013) 4.835 14.626 ( -2.381 -2.891 -1.477) 4.026 14.851 ( -0.416 -0.597 1.184) 1.389 14.995 ( -1.596 -2.859 -0.323) 3.290 15.072 ( -2.711 0.275 -5.200) 5.871 15.331 ( -3.633 2.208 1.717) 4.585 15.550 ( -2.741 9.133 -3.791) 10.261 15.673 ( 3.173 0.817 0.011) 3.277 15.707 ( -1.075 -1.307 -0.922) 1.927 15.765 ( 0.944 2.265 -4.743) 5.340 15.944 ( 0.283 0.103 3.494) 3.507 16.197 ( 0.978 -2.193 -0.468) 2.446 16.362 ( 2.786 -4.776 3.295) 6.437 16.478 ( 4.197 -0.594 8.210) 9.239 16.710 ( -1.848 5.915 2.160) 6.562 16.926 ( 2.883 -8.105 8.137) 11.841 17.038 ( 8.718 -5.445 3.263) 10.784 17.182 ( 5.889 -6.966 -2.437) 9.442 17.624 ( 5.155 3.822 7.101) 9.571 17.784 ( 0.194 -3.602 -5.050) 6.206 17.949 ( 0.002 -4.704 -5.525) 7.256 18.144 ( 3.641 2.959 6.496) 8.014 18.254 ( 5.260 8.546 3.496) 10.627 18.478 ( 0.579 3.951 -0.890) 4.092 18.680 ( 1.748 1.768 -2.478) 3.510 18.819 ( 8.236 -0.218 2.307) 8.556 18.993 ( 7.918 -0.097 9.368) 12.266 19.505 ( -2.122 0.165 0.008) 2.128 19.626 ( 0.302 -2.082 3.155) 3.793 20.300 ( -14.603 -5.494 -9.713) 18.378 20.542 ( -6.434 0.924 -5.435) 8.473 20.627 ( -1.680 -6.817 -1.772) 7.242 20.922 ( -15.616 -6.028 -19.905) 26.007 21.104 ( 2.853 4.672 1.054) 5.575 21.692 ( 1.213 -10.422 7.371) 12.823 23.711 ( 1.780 4.782 0.622) 5.141 23.849 ( -0.236 0.967 -5.732) 5.818 23.986 ( -9.209 3.061 -5.086) 10.957 24.437 ( -0.797 -4.946 -0.813) 5.076 24.746 ( -0.436 -3.944 -3.102) 5.037 24.899 ( -6.442 -7.412 1.864) 9.996 25.300 ( -1.072 9.605 -0.532) 9.679 25.377 ( -4.374 12.270 -2.235) 13.217 25.606 ( 0.808 -5.545 1.004) 5.693 26.049 ( -3.592 0.029 -2.068) 4.145 26.289 ( 16.824 7.629 11.204) 21.605 26.829 ( 1.469 -12.114 20.353) 23.731 27.060 ( -14.848 5.539 -0.816) 15.868 27.425 ( -8.583 10.357 0.216) 13.453 27.574 ( 0.231 -0.107 3.034) 3.045 27.822 ( 0.743 5.697 -18.878) 19.733 28.946 ( 3.924 -0.506 8.605) 9.471 29.219 ( -0.631 3.708 -5.827) 6.936 29.339 ( 0.190 -0.354 -2.153) 2.190 29.622 ( 4.632 3.196 4.510) 7.212 29.719 ( 2.277 -4.725 3.492) 6.301 29.880 ( -2.417 1.520 -0.417) 2.885 30.519 ( 10.056 -2.938 2.049) 10.675 30.588 ( 5.383 -0.873 -0.813) 5.514 31.399 ( 5.182 0.114 0.913) 5.263 31.618 ( -7.222 2.791 -4.366) 8.889 31.911 ( 1.814 -3.507 -1.322) 4.164 32.076 ( -3.008 0.547 1.136) 3.262 32.099 ( 0.664 -4.968 -0.518) 5.039 32.336 ( 5.330 1.108 2.429) 5.961 32.642 ( -7.434 -0.002 -0.628) 7.460 32.697 ( -2.925 -0.009 1.405) 3.244 33.359 ( -0.438 -2.369 2.068) 3.175 33.467 ( 0.992 -2.372 -1.485) 2.969 33.632 ( -3.008 0.790 -4.168) 5.200 33.709 ( 0.123 1.606 -0.242) 1.628 33.974 ( 1.030 3.767 -4.893) 6.260 34.151 ( 1.713 4.282 0.160) 4.614 34.504 ( 1.671 3.765 -2.548) 4.843 34.696 ( 1.020 -2.077 -1.047) 2.540 34.965 ( 4.111 11.575 -1.173) 12.340 35.164 ( 4.580 1.449 -0.612) 4.842 35.933 ( 0.127 -0.524 1.975) 2.047 36.203 ( -3.578 0.006 -3.312) 4.875 90.908 ( -1.077 0.901 -1.405) 1.986 90.993 ( 0.757 1.032 1.255) 1.793 91.851 ( -3.263 -3.942 4.158) 6.593 91.924 ( 1.943 -3.264 5.656) 6.813 93.566 ( 0.064 1.888 -0.487) 1.951 93.622 ( 0.851 2.263 0.859) 2.566 94.258 ( -1.607 -0.827 2.818) 3.348 94.457 ( -4.053 0.548 -1.692) 4.426 95.419 ( 18.230 -7.500 22.681) 30.050 96.287 ( 34.524 -14.332 -17.825) 41.413 96.652 ( -37.245 -26.609 36.174) 58.342 97.082 ( -35.070 -14.330 -10.160) 39.223 97.913 ( 0.008 -3.169 0.461) 3.203 98.005 ( -0.034 -3.147 -1.251) 3.386 98.411 ( 1.229 17.845 -0.599) 17.897 98.917 ( -15.558 9.851 -1.968) 18.519 102.394 ( -0.130 0.469 -0.286) 0.565 102.423 ( 0.310 0.631 0.386) 0.802 102.699 ( 3.185 2.209 -0.398) 3.896 102.829 ( -1.373 2.832 -0.744) 3.234 107.567 ( -0.107 -0.042 -0.442) 0.457 107.612 ( 0.250 -0.008 0.295) 0.387 107.865 ( 1.427 -2.114 -1.219) 2.827 107.916 ( 2.010 -1.911 -0.050) 2.774 ======================= Grid point 13 (10/126) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( 0.000 28.794 0.000) 28.794 2.831 ( 0.000 16.471 0.000) 16.471 3.060 ( -0.000 14.392 0.000) 14.392 3.355 ( 0.000 8.553 0.000) 8.553 3.358 ( -0.000 7.654 0.000) 7.654 3.454 ( 0.000 9.461 0.000) 9.461 4.036 ( 0.000 1.313 -0.000) 1.313 4.428 ( 0.000 11.418 0.000) 11.418 4.618 ( 0.000 20.078 0.000) 20.078 4.732 ( 0.000 -1.526 0.000) 1.526 5.002 ( 0.000 6.818 0.000) 6.818 5.065 ( -0.000 16.581 -0.000) 16.581 6.526 ( 0.000 -10.029 0.000) 10.029 6.928 ( -0.000 -4.085 0.000) 4.085 7.058 ( 0.000 -1.861 0.000) 1.861 7.106 ( 0.000 1.232 0.000) 1.232 7.182 ( 0.000 -7.569 0.000) 7.569 7.205 ( 0.000 -0.762 0.000) 0.762 7.419 ( 0.000 -4.602 0.000) 4.602 7.552 ( 0.000 -5.281 0.000) 5.281 7.602 ( -0.000 3.502 0.000) 3.502 7.831 ( 0.000 8.089 0.000) 8.089 8.102 ( 0.000 9.164 0.000) 9.164 8.137 ( -0.000 -8.373 0.000) 8.373 8.587 ( -0.000 0.958 0.000) 0.958 8.591 ( 0.000 -9.304 -0.000) 9.304 8.639 ( 0.000 -3.640 0.000) 3.640 8.717 ( -0.000 -9.892 0.000) 9.892 9.031 ( 0.000 -4.880 0.000) 4.880 9.448 ( 0.000 -0.008 0.000) 0.008 9.622 ( 0.000 -6.298 0.000) 6.298 9.799 ( -0.000 -4.966 0.000) 4.966 9.863 ( 0.000 -12.169 0.000) 12.169 10.131 ( -0.000 -14.226 0.000) 14.226 10.167 ( 0.000 -19.246 0.000) 19.246 10.273 ( 0.000 -7.018 0.000) 7.018 10.446 ( 0.000 -2.710 0.000) 2.710 10.533 ( 0.000 -0.996 0.000) 0.996 10.706 ( 0.000 0.666 0.000) 0.666 10.794 ( 0.000 4.094 0.000) 4.094 10.993 ( 0.000 9.932 0.000) 9.932 11.195 ( 0.000 3.931 0.000) 3.931 11.227 ( 0.000 16.269 0.000) 16.269 11.285 ( 0.000 9.490 0.000) 9.490 11.467 ( 0.000 21.727 0.000) 21.727 11.760 ( -0.000 9.662 0.000) 9.662 11.868 ( 0.000 4.212 0.000) 4.212 11.886 ( 0.000 0.411 0.000) 0.411 12.045 ( 0.000 0.816 0.000) 0.816 12.128 ( -0.000 -7.366 -0.000) 7.366 12.130 ( 0.000 -14.968 0.000) 14.968 12.216 ( 0.000 -2.997 0.000) 2.997 12.219 ( -0.000 0.649 0.000) 0.649 12.402 ( 0.000 -0.377 0.000) 0.377 12.507 ( 0.000 1.783 0.000) 1.783 12.550 ( 0.000 -0.643 0.000) 0.643 12.833 ( 0.000 -8.499 0.000) 8.499 12.884 ( -0.000 -11.826 -0.000) 11.826 12.983 ( 0.000 -2.985 0.000) 2.985 13.564 ( 0.000 -8.103 0.000) 8.103 13.657 ( 0.000 5.470 0.000) 5.470 13.678 ( 0.000 12.667 0.000) 12.667 13.944 ( -0.000 -4.143 0.000) 4.143 14.089 ( 0.000 8.087 0.000) 8.087 14.337 ( 0.000 14.417 0.000) 14.417 14.500 ( 0.000 4.288 0.000) 4.288 14.609 ( 0.000 -3.642 0.000) 3.642 14.861 ( 0.000 -0.472 0.000) 0.472 14.989 ( 0.000 1.582 0.000) 1.582 15.007 ( -0.000 -6.439 -0.000) 6.439 15.316 ( 0.000 3.380 0.000) 3.380 15.500 ( 0.000 10.209 0.000) 10.209 15.684 ( 0.000 -2.962 0.000) 2.962 15.696 ( 0.000 2.222 0.000) 2.222 15.753 ( 0.000 1.419 0.000) 1.419 15.974 ( 0.000 -2.351 0.000) 2.351 16.196 ( 0.000 -1.473 0.000) 1.473 16.404 ( 0.000 -6.833 0.000) 6.833 16.593 ( 0.000 3.504 0.000) 3.504 16.688 ( 0.000 4.420 0.000) 4.420 17.035 ( -0.000 -7.249 0.000) 7.249 17.057 ( 0.000 -15.133 -0.000) 15.133 17.246 ( 0.000 -2.889 0.000) 2.889 17.719 ( 0.000 -4.421 0.000) 4.421 17.737 ( -0.000 8.316 -0.000) 8.316 17.901 ( 0.000 -6.459 0.000) 6.459 18.235 ( 0.000 1.623 0.000) 1.623 18.312 ( 0.000 9.780 0.000) 9.780 18.475 ( 0.000 5.518 0.000) 5.518 18.693 ( 0.000 -1.083 0.000) 1.083 18.917 ( 0.000 6.160 0.000) 6.160 19.217 ( 0.000 -13.363 0.000) 13.363 19.480 ( 0.000 0.590 0.000) 0.590 19.671 ( 0.000 -1.103 0.000) 1.103 19.967 ( 0.000 0.024 0.000) 0.024 20.462 ( 0.000 0.123 0.000) 0.123 20.521 ( 0.000 3.119 0.000) 3.119 20.725 ( 0.000 -14.470 0.000) 14.470 21.158 ( 0.000 6.080 0.000) 6.080 21.749 ( 0.000 -7.896 0.000) 7.896 23.729 ( 0.000 4.948 0.000) 4.948 23.816 ( 0.000 -2.811 0.000) 2.811 23.874 ( -0.000 6.460 0.000) 6.460 24.418 ( 0.000 -1.258 0.000) 1.258 24.732 ( 0.000 -7.018 0.000) 7.018 24.857 ( 0.000 -7.176 0.000) 7.176 25.282 ( 0.000 10.855 0.000) 10.855 25.329 ( 0.000 11.468 0.000) 11.468 25.624 ( 0.000 -5.343 -0.000) 5.343 25.991 ( 0.000 0.761 0.000) 0.761 26.607 ( 0.000 1.076 0.000) 1.076 26.818 ( 0.000 11.214 0.000) 11.214 27.085 ( 0.000 -7.734 0.000) 7.734 27.263 ( -0.000 -2.084 -0.000) 2.084 27.624 ( 0.000 11.927 0.000) 11.927 27.692 ( 0.000 2.723 0.000) 2.723 29.044 ( 0.000 -0.932 0.000) 0.932 29.174 ( 0.000 5.316 0.000) 5.316 29.302 ( 0.000 0.147 0.000) 0.147 29.724 ( 0.000 2.924 -0.000) 2.924 29.758 ( -0.000 -5.165 0.000) 5.165 29.843 ( 0.000 -1.432 0.000) 1.432 30.558 ( 0.000 -3.102 0.000) 3.102 30.690 ( 0.000 -2.247 0.000) 2.247 31.427 ( 0.000 0.107 0.000) 0.107 31.528 ( 0.000 4.237 0.000) 4.237 31.916 ( 0.000 -4.334 0.000) 4.334 32.061 ( 0.000 1.857 0.000) 1.857 32.108 ( 0.000 -6.259 0.000) 6.259 32.397 ( 0.000 -0.575 0.000) 0.575 32.556 ( 0.000 1.016 0.000) 1.016 32.706 ( 0.000 0.407 0.000) 0.407 33.373 ( 0.000 1.285 0.000) 1.285 33.481 ( 0.000 -5.735 0.000) 5.735 33.554 ( 0.000 1.943 0.000) 1.943 33.711 ( 0.000 1.244 0.000) 1.244 33.948 ( 0.000 3.877 0.000) 3.877 34.166 ( 0.000 4.626 0.000) 4.626 34.501 ( 0.000 3.334 0.000) 3.334 34.696 ( 0.000 -1.967 0.000) 1.967 34.990 ( 0.000 11.364 0.000) 11.364 35.194 ( 0.000 1.443 0.000) 1.443 35.947 ( 0.000 -0.396 0.000) 0.396 36.152 ( 0.000 0.056 0.000) 0.056 90.890 ( 0.000 1.050 0.000) 1.050 91.008 ( 0.000 0.877 0.000) 0.877 91.853 ( 0.000 -3.425 0.000) 3.425 91.977 ( 0.000 -3.519 0.000) 3.519 93.563 ( 0.000 1.779 0.000) 1.779 93.636 ( 0.000 2.222 0.000) 2.222 94.264 ( 0.000 -0.831 0.000) 0.831 94.416 ( 0.000 0.723 0.000) 0.723 95.972 ( -0.000 -17.521 -0.000) 17.521 96.254 ( 0.000 -17.539 0.000) 17.539 96.547 ( 0.000 -13.429 -0.000) 13.429 96.702 ( -0.000 -12.433 0.000) 12.433 97.918 ( 0.000 -3.051 0.000) 3.051 97.994 ( 0.000 -2.846 0.000) 2.846 98.427 ( 0.000 17.873 0.000) 17.873 98.782 ( 0.000 10.960 0.000) 10.960 102.391 ( 0.000 0.477 0.000) 0.477 102.428 ( 0.000 0.597 0.000) 0.597 102.724 ( 0.000 2.871 0.000) 2.871 102.811 ( 0.000 1.812 0.000) 1.812 107.563 ( 0.000 -0.024 0.000) 0.024 107.616 ( 0.000 -0.017 0.000) 0.017 107.867 ( 0.000 -1.756 0.000) 1.756 107.932 ( 0.000 -2.209 0.000) 2.209 ======================= Grid point 18 (11/126) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 0.000 33.052 0.000) 33.052 1.991 ( 0.000 48.929 0.000) 48.929 2.512 ( 0.000 35.861 0.000) 35.861 2.902 ( 0.000 65.998 0.000) 65.998 3.392 ( 0.000 56.230 0.000) 56.230 4.244 ( 0.000 19.631 0.000) 19.631 4.716 ( 0.000 44.547 0.000) 44.547 4.840 ( 0.000 -1.191 0.000) 1.191 5.110 ( 0.000 36.154 0.000) 36.154 5.868 ( 0.000 -1.816 0.000) 1.816 6.176 ( 0.000 0.711 0.000) 0.711 6.299 ( 0.000 -17.842 0.000) 17.842 6.497 ( 0.000 -6.723 0.000) 6.723 6.713 ( 0.000 -17.046 0.000) 17.046 7.053 ( 0.000 -17.795 0.000) 17.795 7.104 ( 0.000 -11.414 0.000) 11.414 7.156 ( 0.000 -13.627 0.000) 13.627 7.232 ( 0.000 -3.664 0.000) 3.664 7.355 ( 0.000 -26.866 0.000) 26.866 7.573 ( 0.000 -21.923 0.000) 21.923 7.621 ( 0.000 -16.845 0.000) 16.845 7.767 ( 0.000 -10.136 0.000) 10.136 7.976 ( 0.000 -5.458 0.000) 5.458 8.125 ( 0.000 2.707 0.000) 2.707 8.269 ( 0.000 0.945 0.000) 0.945 8.319 ( 0.000 0.628 0.000) 0.628 8.422 ( 0.000 -0.879 0.000) 0.879 8.532 ( 0.000 -1.042 0.000) 1.042 8.926 ( 0.000 10.990 0.000) 10.990 8.958 ( 0.000 2.990 0.000) 2.990 9.110 ( 0.000 -3.046 0.000) 3.046 9.134 ( 0.000 -0.555 0.000) 0.555 9.612 ( 0.000 -1.272 0.000) 1.272 9.659 ( 0.000 -2.834 0.000) 2.834 10.248 ( 0.000 15.600 0.000) 15.600 10.316 ( 0.000 -1.794 0.000) 1.794 10.541 ( 0.000 -9.424 0.000) 9.424 10.638 ( 0.000 11.327 0.000) 11.327 10.753 ( 0.000 12.197 0.000) 12.197 10.774 ( 0.000 -9.918 0.000) 9.918 11.124 ( 0.000 11.429 0.000) 11.429 11.262 ( 0.000 -2.873 0.000) 2.873 11.332 ( 0.000 12.858 0.000) 12.858 11.406 ( 0.000 3.110 0.000) 3.110 11.510 ( 0.000 1.650 0.000) 1.650 11.525 ( 0.000 -4.774 0.000) 4.774 11.703 ( 0.000 -7.547 0.000) 7.547 11.722 ( 0.000 -12.672 0.000) 12.672 11.771 ( 0.000 -12.798 0.000) 12.798 11.987 ( 0.000 -11.738 0.000) 11.738 12.117 ( 0.000 -0.883 0.000) 0.883 12.156 ( 0.000 -10.154 0.000) 10.154 12.208 ( 0.000 -6.914 0.000) 6.914 12.520 ( 0.000 -16.957 0.000) 16.957 12.873 ( 0.000 8.422 0.000) 8.422 12.984 ( 0.000 10.354 0.000) 10.354 13.089 ( 0.000 1.931 0.000) 1.931 13.179 ( 0.000 8.104 0.000) 8.104 13.310 ( 0.000 2.631 0.000) 2.631 13.477 ( 0.000 10.746 0.000) 10.746 13.490 ( 0.000 8.818 0.000) 8.818 13.597 ( 0.000 5.338 0.000) 5.338 14.089 ( 0.000 13.106 0.000) 13.106 14.298 ( 0.000 12.277 0.000) 12.277 14.692 ( 0.000 -1.189 0.000) 1.189 14.773 ( 0.000 2.667 0.000) 2.667 14.874 ( 0.000 -5.051 0.000) 5.051 14.980 ( 0.000 -1.147 0.000) 1.147 15.022 ( 0.000 -0.876 0.000) 0.876 15.169 ( 0.000 -4.578 0.000) 4.578 15.298 ( 0.000 -1.002 0.000) 1.002 15.574 ( 0.000 3.911 0.000) 3.911 15.702 ( 0.000 -2.503 0.000) 2.503 15.888 ( 0.000 0.383 0.000) 0.383 15.926 ( 0.000 -1.555 0.000) 1.555 16.077 ( 0.000 -1.263 0.000) 1.263 16.152 ( 0.000 -0.746 0.000) 0.746 16.197 ( 0.000 5.822 0.000) 5.822 16.242 ( 0.000 0.060 0.000) 0.060 16.378 ( 0.000 -9.046 0.000) 9.046 16.521 ( 0.000 3.604 0.000) 3.604 16.830 ( 0.000 1.366 0.000) 1.366 16.885 ( 0.000 -1.234 0.000) 1.234 17.223 ( 0.000 -9.876 0.000) 9.876 17.627 ( 0.000 -7.234 0.000) 7.234 17.805 ( 0.000 -6.465 0.000) 6.465 17.860 ( 0.000 -4.755 0.000) 4.755 18.412 ( 0.000 0.159 0.000) 0.159 18.555 ( 0.000 2.102 0.000) 2.102 18.629 ( 0.000 3.046 0.000) 3.046 18.940 ( 0.000 8.232 0.000) 8.232 19.427 ( 0.000 -1.429 0.000) 1.429 19.554 ( 0.000 -0.727 0.000) 0.727 19.600 ( 0.000 -1.363 0.000) 1.363 19.623 ( 0.000 0.601 0.000) 0.601 20.349 ( 0.000 -11.721 0.000) 11.721 20.635 ( 0.000 -1.848 0.000) 1.848 20.926 ( 0.000 9.698 0.000) 9.698 21.305 ( 0.000 4.967 0.000) 4.967 22.099 ( 0.000 -17.878 0.000) 17.878 23.755 ( 0.000 7.192 0.000) 7.192 24.189 ( 0.000 -16.578 0.000) 16.578 24.371 ( 0.000 6.493 0.000) 6.493 24.613 ( 0.000 2.655 0.000) 2.655 24.683 ( 0.000 10.459 0.000) 10.459 25.082 ( 0.000 -6.319 0.000) 6.319 25.114 ( 0.000 5.882 0.000) 5.882 25.390 ( 0.000 1.532 0.000) 1.532 25.503 ( 0.000 -7.005 0.000) 7.005 25.717 ( 0.000 -0.415 0.000) 0.415 26.299 ( 0.000 7.625 0.000) 7.625 26.379 ( 0.000 8.275 0.000) 8.275 27.380 ( 0.000 -6.364 0.000) 6.364 27.602 ( 0.000 -3.459 0.000) 3.459 28.104 ( 0.000 8.250 0.000) 8.250 28.246 ( 0.000 6.651 0.000) 6.651 28.769 ( 0.000 1.940 0.000) 1.940 29.017 ( 0.000 -3.822 0.000) 3.822 29.315 ( 0.000 4.314 0.000) 4.314 29.555 ( 0.000 -2.794 0.000) 2.794 29.855 ( 0.000 4.410 0.000) 4.410 29.982 ( 0.000 0.288 0.000) 0.288 30.277 ( 0.000 0.239 0.000) 0.239 30.307 ( 0.000 -3.945 0.000) 3.945 31.504 ( 0.000 -3.316 0.000) 3.316 31.601 ( 0.000 -1.364 0.000) 1.364 31.662 ( 0.000 2.215 0.000) 2.215 32.011 ( 0.000 -4.752 0.000) 4.752 32.189 ( 0.000 -4.027 0.000) 4.027 32.287 ( 0.000 -3.780 0.000) 3.780 32.815 ( 0.000 10.686 0.000) 10.686 33.008 ( 0.000 -6.470 0.000) 6.470 33.101 ( 0.000 -8.598 0.000) 8.598 33.505 ( 0.000 8.939 0.000) 8.939 33.769 ( 0.000 2.401 0.000) 2.401 33.993 ( 0.000 1.896 0.000) 1.896 34.040 ( 0.000 3.844 0.000) 3.844 34.143 ( 0.000 0.779 0.000) 0.779 34.582 ( 0.000 -3.400 0.000) 3.400 34.807 ( 0.000 -4.646 0.000) 4.646 34.890 ( 0.000 15.583 0.000) 15.583 35.197 ( 0.000 13.328 0.000) 13.328 35.790 ( 0.000 0.072 0.000) 0.072 36.428 ( 0.000 -1.591 0.000) 1.591 90.963 ( 0.000 1.701 0.000) 1.701 91.061 ( 0.000 2.065 0.000) 2.065 91.492 ( 0.000 -3.333 0.000) 3.333 91.587 ( 0.000 -3.235 0.000) 3.235 93.644 ( 0.000 4.012 0.000) 4.012 93.687 ( 0.000 4.356 0.000) 4.356 94.182 ( 0.000 -1.631 0.000) 1.631 94.696 ( 0.000 -6.454 0.000) 6.454 94.883 ( 0.000 1.399 0.000) 1.399 95.064 ( 0.000 -3.186 0.000) 3.186 95.395 ( 0.000 -4.652 0.000) 4.652 97.490 ( 0.000 -29.496 0.000) 29.496 97.906 ( 0.000 1.890 0.000) 1.890 98.051 ( 0.000 -0.557 0.000) 0.557 98.992 ( 0.000 6.880 0.000) 6.880 99.353 ( 0.000 -6.249 0.000) 6.249 102.412 ( 0.000 1.334 0.000) 1.334 102.439 ( 0.000 1.264 0.000) 1.264 102.709 ( 0.000 5.802 0.000) 5.802 102.986 ( 0.000 0.069 0.000) 0.069 107.582 ( 0.000 -0.007 0.000) 0.007 107.590 ( 0.000 -0.016 0.000) 0.016 107.729 ( 0.000 -0.098 0.000) 0.098 107.826 ( 0.000 -1.516 0.000) 1.516 ======================= Grid point 19 (12/126) ======================= q-point: ( 0.12 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 5.624 23.851 38.434) 45.581 1.979 ( -0.293 40.113 10.139) 41.375 2.482 ( 1.746 32.505 -6.348) 33.165 3.156 ( 35.458 63.447 -3.056) 72.747 3.648 ( 29.400 54.860 0.338) 62.242 4.017 ( -34.467 18.063 13.378) 41.148 4.618 ( -15.632 39.784 0.676) 42.750 4.895 ( -2.417 18.528 1.376) 18.735 5.126 ( 12.217 17.792 -13.498) 25.456 5.767 ( -18.444 -6.612 -7.378) 20.937 5.870 ( -5.801 -7.418 -6.527) 11.458 6.145 ( -21.735 -10.823 1.830) 24.349 6.616 ( 6.977 -2.586 -0.296) 7.447 6.639 ( -14.381 -18.422 -1.906) 23.448 6.889 ( -1.112 -10.796 -0.391) 10.861 7.095 ( -4.320 -7.130 0.804) 8.375 7.214 ( -4.769 -9.615 0.666) 10.753 7.274 ( 12.647 -11.464 2.537) 17.257 7.482 ( -5.900 -7.802 -2.973) 10.224 7.620 ( 6.102 -12.361 -2.544) 14.018 7.703 ( 25.047 -25.713 -0.478) 35.899 7.904 ( 19.159 -14.599 -5.099) 24.621 8.028 ( -3.376 -0.713 -3.275) 4.758 8.087 ( 3.062 -3.275 2.558) 5.161 8.257 ( 2.168 -3.208 0.855) 3.966 8.311 ( -3.693 1.208 5.123) 6.430 8.453 ( 0.320 -0.413 1.516) 1.603 8.545 ( 2.787 -1.266 -1.651) 3.478 8.789 ( -8.277 6.337 -2.237) 10.661 8.912 ( -5.264 1.781 -1.430) 5.738 9.060 ( -1.178 -4.621 -2.311) 5.299 9.279 ( 8.033 -1.115 4.070) 9.074 9.583 ( -3.159 0.656 -1.097) 3.408 9.692 ( 0.665 -4.957 4.435) 6.685 10.276 ( 2.624 5.609 0.763) 6.239 10.410 ( 6.839 6.666 2.266) 9.816 10.526 ( -4.108 -3.193 4.428) 6.832 10.663 ( 4.885 6.265 -1.871) 8.162 10.725 ( 2.234 -7.458 -3.762) 8.647 10.847 ( 4.390 7.187 1.598) 8.572 11.098 ( -6.717 5.069 0.714) 8.446 11.245 ( -0.335 -2.532 1.810) 3.130 11.308 ( -0.068 14.304 -0.497) 14.313 11.391 ( -8.064 -3.728 -2.717) 9.290 11.483 ( 0.996 3.815 0.407) 3.964 11.558 ( 2.827 -0.107 1.842) 3.376 11.639 ( 1.408 -8.269 -1.153) 8.467 11.719 ( -3.218 -11.722 0.056) 12.156 11.767 ( -1.533 -14.103 3.456) 14.601 11.983 ( -0.584 -9.199 0.288) 9.222 12.114 ( -2.207 -6.336 -1.316) 6.837 12.219 ( 5.568 1.849 3.151) 6.660 12.303 ( 3.070 -7.698 5.775) 10.101 12.510 ( 0.319 -15.517 -3.533) 15.917 12.823 ( -4.958 5.019 -0.418) 7.068 12.896 ( -2.193 3.445 -9.277) 10.136 13.066 ( -3.636 12.653 0.716) 13.184 13.181 ( -4.883 3.978 6.123) 8.784 13.277 ( -0.130 2.601 -6.530) 7.031 13.429 ( -0.655 11.317 1.436) 11.426 13.494 ( -5.039 12.180 1.421) 13.257 13.701 ( 9.919 3.241 0.144) 10.436 14.070 ( 2.906 10.390 -4.306) 11.616 14.321 ( 5.709 12.248 -3.914) 14.069 14.637 ( -4.591 -0.422 -2.485) 5.237 14.741 ( -6.378 3.487 0.224) 7.273 14.833 ( -4.919 -2.299 1.026) 5.525 14.897 ( -6.181 -3.309 0.457) 7.026 15.027 ( -0.804 0.765 -3.326) 3.506 15.187 ( -0.559 -3.748 1.932) 4.254 15.363 ( 7.370 -4.137 1.237) 8.541 15.565 ( -2.853 2.079 -2.527) 4.341 15.662 ( -2.557 -0.148 1.534) 2.986 15.825 ( -3.440 -0.979 -3.421) 4.949 15.918 ( 4.735 -0.441 -1.720) 5.057 16.049 ( -9.021 8.210 4.009) 12.839 16.133 ( 1.694 -4.282 2.823) 5.401 16.223 ( 0.751 -1.585 -2.070) 2.713 16.248 ( -1.239 1.595 0.448) 2.068 16.503 ( 7.805 -8.144 4.542) 12.160 16.622 ( 5.268 2.650 5.661) 8.175 16.834 ( 3.242 -0.353 1.946) 3.798 16.936 ( -0.711 -3.141 -7.049) 7.750 17.126 ( 8.825 -1.568 -1.562) 9.099 17.704 ( 1.754 -8.044 2.262) 8.538 17.825 ( -0.379 -7.185 4.785) 8.641 17.916 ( 3.131 -2.467 4.947) 6.353 18.345 ( -5.105 -1.824 -3.519) 6.463 18.560 ( 1.861 4.773 -2.060) 5.521 18.650 ( 3.442 1.932 -0.850) 4.038 18.946 ( 1.094 8.629 -0.086) 8.698 19.085 ( -10.990 9.365 -11.887) 18.703 19.534 ( -0.773 -1.030 2.083) 2.449 19.557 ( -2.095 -0.598 -0.675) 2.281 20.060 ( 10.155 -16.070 15.683) 24.644 20.351 ( -0.171 -13.343 -0.085) 13.345 20.759 ( 9.872 -1.114 8.159) 12.856 20.952 ( 3.276 7.729 0.176) 8.397 21.229 ( -4.725 4.591 -5.008) 8.276 21.912 ( -12.552 -16.930 -14.134) 25.376 23.758 ( 0.272 6.449 0.228) 6.458 24.132 ( -5.293 -9.778 -2.655) 11.432 24.281 ( 0.886 2.968 -8.173) 8.740 24.497 ( 1.063 7.305 -10.112) 12.520 24.881 ( -0.616 -3.272 2.947) 4.446 25.050 ( -3.222 2.569 -6.204) 7.447 25.174 ( 5.985 1.326 17.941) 18.959 25.349 ( 4.386 2.154 -0.685) 4.934 25.627 ( -2.999 -4.632 7.787) 9.544 25.760 ( -0.039 -0.737 7.099) 7.137 26.224 ( -0.724 8.578 -0.673) 8.634 26.437 ( -1.999 5.443 4.851) 7.560 27.303 ( -2.703 -4.474 -5.928) 7.904 27.706 ( -1.335 -1.872 10.327) 10.580 28.026 ( -5.577 8.436 -0.499) 10.125 28.065 ( -7.129 7.549 -12.007) 15.874 28.867 ( -1.024 -0.990 -0.039) 1.425 29.008 ( 3.929 0.526 5.715) 6.955 29.400 ( 3.992 1.893 6.142) 7.566 29.524 ( -3.511 0.589 -2.432) 4.311 29.789 ( -2.275 3.372 -4.021) 5.720 29.998 ( 0.199 -0.347 1.695) 1.742 30.211 ( 1.765 -1.079 -5.931) 6.282 30.396 ( 9.235 -1.533 -2.120) 9.598 31.421 ( -5.054 1.262 -0.841) 5.277 31.646 ( 3.238 -2.560 -0.001) 4.127 31.752 ( 5.917 -1.393 3.530) 7.030 31.979 ( -0.209 -4.874 -3.414) 5.954 32.194 ( -3.478 -2.806 2.667) 5.204 32.275 ( -1.067 -2.066 0.839) 2.472 32.767 ( -5.004 9.970 0.872) 11.189 32.940 ( -8.335 -6.062 -1.240) 10.381 33.130 ( 4.120 -6.973 -0.069) 8.099 33.514 ( 7.205 6.174 -7.656) 12.192 33.766 ( 0.124 1.900 -0.915) 2.112 33.928 ( -7.037 5.049 0.920) 8.710 34.087 ( 2.197 1.007 -0.166) 2.422 34.140 ( 2.182 2.318 -0.965) 3.326 34.586 ( 0.246 -3.366 -0.146) 3.378 34.729 ( -4.140 1.981 -1.798) 4.929 34.990 ( 9.080 9.155 -0.151) 12.895 35.203 ( 3.803 13.178 -3.329) 14.114 35.818 ( 1.280 -0.525 2.489) 2.847 36.395 ( -2.384 -1.579 -2.507) 3.803 90.961 ( 0.194 1.937 -0.124) 1.950 91.045 ( -0.956 2.222 -1.270) 2.732 91.586 ( -1.461 -6.726 12.434) 14.212 91.626 ( 0.966 -3.775 4.858) 6.228 93.647 ( 0.429 4.348 -0.057) 4.369 93.673 ( -0.510 4.298 -1.102) 4.466 94.193 ( -0.875 -1.627 2.492) 3.103 94.674 ( -6.679 -4.472 2.371) 8.381 94.851 ( 0.958 0.278 -1.543) 1.837 95.318 ( 6.246 -15.504 24.726) 29.846 95.564 ( 10.040 -8.602 12.570) 18.242 97.409 ( -7.343 -30.553 -5.099) 31.834 97.906 ( -0.272 1.919 0.245) 1.953 98.037 ( -2.498 0.002 0.945) 2.670 98.903 ( -9.813 10.312 0.278) 14.238 99.346 ( -2.780 -5.055 -0.165) 5.771 102.418 ( 0.425 1.316 0.372) 1.432 102.433 ( -0.370 1.359 -0.420) 1.469 102.715 ( 0.073 5.545 0.736) 5.594 102.964 ( -0.842 1.046 -1.968) 2.382 107.584 ( -0.027 -0.037 -0.385) 0.387 107.590 ( 0.395 0.010 0.192) 0.440 107.755 ( 2.915 -1.308 -0.042) 3.195 107.832 ( 1.087 -1.681 -0.331) 2.029 ======================= Grid point 20 (13/126) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 15.156 17.356 18.560) 29.587 2.424 ( 15.348 21.961 23.628) 35.722 2.534 ( 16.492 21.018 7.625) 27.783 3.675 ( 34.142 56.137 -2.769) 65.762 3.732 ( -33.540 18.855 23.273) 44.967 4.132 ( 35.895 46.856 -2.827) 59.093 4.302 ( -28.256 27.962 2.758) 39.848 4.714 ( -23.322 21.146 1.012) 31.498 4.979 ( 6.078 9.509 -30.056) 32.105 5.333 ( -18.642 -1.747 -8.681) 20.638 5.776 ( -13.745 0.302 -2.052) 13.901 6.013 ( 9.668 -8.417 -1.364) 12.891 6.239 ( -20.406 -8.576 -9.780) 24.199 6.761 ( 6.626 -8.792 0.857) 11.043 6.938 ( 5.521 -4.218 -1.079) 7.031 7.077 ( 0.315 -3.933 1.811) 4.342 7.122 ( -9.141 -12.083 2.584) 15.370 7.303 ( -11.529 -2.921 -2.841) 12.227 7.446 ( 6.149 -10.845 -1.018) 12.508 7.644 ( 0.295 -4.993 1.132) 5.128 7.821 ( -12.585 2.194 -1.233) 12.834 7.860 ( -1.004 -0.508 -3.927) 4.084 8.155 ( 2.874 -6.131 -1.729) 6.989 8.161 ( -0.218 4.466 3.035) 5.404 8.375 ( 19.419 -12.179 2.461) 23.054 8.450 ( 14.095 -10.166 -2.657) 17.580 8.501 ( 6.598 -4.623 3.403) 8.746 8.561 ( 2.657 -1.263 -1.783) 3.440 8.755 ( -1.412 -5.298 1.646) 5.725 8.835 ( 8.801 -6.732 -3.444) 11.604 9.039 ( 3.921 -6.687 -2.277) 8.079 9.414 ( 4.343 -3.391 2.932) 6.242 9.515 ( -3.418 -1.271 -1.058) 3.797 9.772 ( 0.987 -5.629 5.154) 7.696 10.305 ( -0.380 -2.171 1.040) 2.437 10.433 ( -6.513 5.588 -0.985) 8.638 10.573 ( -1.217 -3.768 5.386) 6.685 10.684 ( -2.266 0.839 0.184) 2.424 10.747 ( 1.205 -2.766 -0.053) 3.017 10.832 ( -5.659 1.958 -1.883) 6.277 11.006 ( -4.077 -2.839 1.839) 5.297 11.258 ( -2.982 1.331 -0.179) 3.270 11.314 ( 9.191 11.962 -1.191) 15.132 11.378 ( 7.494 3.397 1.043) 8.293 11.510 ( 1.279 -4.958 0.086) 5.121 11.583 ( -2.308 -18.993 1.237) 19.172 11.689 ( 1.368 -0.483 0.303) 1.482 11.702 ( 3.046 -8.002 3.765) 9.353 11.837 ( 2.294 -6.664 4.629) 8.432 11.961 ( -2.168 -2.781 0.826) 3.622 12.090 ( -1.118 0.376 1.890) 2.227 12.290 ( 1.881 1.224 -2.191) 3.136 12.373 ( -1.200 1.903 3.134) 3.858 12.436 ( -1.640 -9.881 -3.912) 10.753 12.706 ( -6.096 4.286 -7.142) 10.322 12.778 ( -4.000 -2.723 -0.621) 4.879 12.984 ( -6.386 17.021 -1.931) 18.282 13.138 ( -8.754 3.139 -2.865) 9.732 13.240 ( 8.446 0.762 -1.807) 8.671 13.389 ( -7.842 19.192 0.847) 20.749 13.500 ( 2.719 5.565 3.114) 6.933 13.799 ( 5.538 4.732 -2.456) 7.687 14.118 ( 8.819 3.150 -2.048) 9.586 14.318 ( 2.368 11.318 -7.890) 13.998 14.513 ( -9.252 1.208 -0.615) 9.351 14.629 ( -4.330 3.614 -2.387) 6.124 14.758 ( -8.273 0.658 1.597) 8.451 14.835 ( -3.075 -1.861 1.390) 3.854 14.962 ( -0.302 -2.051 -4.424) 4.885 15.179 ( -0.081 -1.248 -2.263) 2.586 15.439 ( -8.304 2.409 2.171) 8.915 15.511 ( 8.352 -6.490 0.580) 10.593 15.700 ( -0.868 1.638 3.935) 4.349 15.765 ( 0.348 2.713 -1.732) 3.237 15.945 ( -11.630 6.715 2.022) 13.581 15.995 ( 4.009 -1.552 -1.682) 4.616 16.127 ( -0.550 -0.385 -4.817) 4.863 16.223 ( 2.661 -3.392 0.995) 4.424 16.260 ( 1.719 -2.216 4.539) 5.336 16.630 ( 2.905 -9.226 3.735) 10.368 16.759 ( 2.147 1.694 7.220) 7.721 16.853 ( 1.277 -0.643 -0.296) 1.460 16.967 ( 10.918 -5.379 -2.056) 12.343 17.379 ( 13.324 -1.987 8.816) 16.099 17.707 ( 1.963 -6.167 -4.408) 7.830 17.912 ( 1.590 -5.000 4.725) 7.061 18.039 ( 3.113 -1.362 5.022) 6.064 18.232 ( -3.834 -3.194 1.013) 5.092 18.561 ( 2.330 4.939 -1.817) 5.755 18.688 ( 4.432 2.531 -2.813) 5.828 18.879 ( -3.515 8.453 -5.361) 10.608 18.985 ( 2.562 8.242 1.937) 8.846 19.518 ( -2.444 -1.531 0.219) 2.893 19.559 ( -0.794 -1.159 3.341) 3.625 20.239 ( -0.126 -13.489 2.765) 13.770 20.341 ( -0.626 -14.039 1.078) 14.094 20.882 ( -4.956 2.426 -8.971) 10.532 21.036 ( 7.330 6.174 3.788) 10.305 21.208 ( 4.701 -4.765 6.269) 9.171 21.437 ( -18.379 -14.004 -19.681) 30.352 23.770 ( 1.030 4.202 0.020) 4.326 24.001 ( -5.233 -1.705 -5.086) 7.494 24.210 ( 0.035 1.428 -6.288) 6.449 24.379 ( 1.699 4.022 -9.542) 10.493 24.806 ( -5.986 -4.435 -1.640) 7.628 24.932 ( -6.220 3.188 -1.111) 7.077 25.405 ( 4.854 4.441 2.039) 6.888 25.480 ( 3.034 -1.826 2.656) 4.427 25.676 ( -2.923 5.614 3.128) 7.060 25.860 ( 1.259 -2.452 19.124) 19.322 26.304 ( 1.813 8.512 3.484) 9.375 26.447 ( 0.227 -2.029 5.354) 5.731 27.220 ( -0.389 0.281 -1.987) 2.044 27.682 ( -13.213 6.104 7.100) 16.194 27.820 ( -9.193 7.710 -8.367) 14.628 28.030 ( 5.209 3.123 -5.338) 8.085 28.811 ( -0.636 -0.684 2.095) 2.294 29.195 ( 2.633 -2.815 9.256) 10.026 29.418 ( -0.967 6.414 -5.239) 8.338 29.543 ( 3.608 0.647 6.785) 7.711 29.703 ( -1.239 1.159 -6.449) 6.669 29.985 ( -4.748 1.213 0.491) 4.925 30.264 ( 11.799 -3.131 -0.779) 12.232 30.487 ( 7.053 -3.379 -2.929) 8.351 31.383 ( 0.182 3.092 0.526) 3.142 31.690 ( 1.879 -1.688 0.162) 2.531 31.837 ( 2.349 -3.828 -0.803) 4.562 31.954 ( 1.962 -5.573 -2.050) 6.254 32.143 ( -6.472 -0.951 2.027) 6.849 32.295 ( 0.835 0.533 2.366) 2.564 32.725 ( -3.385 6.230 1.882) 7.336 32.777 ( -10.256 -5.166 -2.088) 11.672 33.201 ( 4.832 -4.747 1.156) 6.872 33.507 ( 5.048 3.769 -7.477) 9.777 33.742 ( -0.626 1.967 -2.652) 3.361 33.835 ( -7.438 6.573 1.955) 10.117 34.072 ( 0.211 1.262 -3.021) 3.281 34.194 ( 3.185 3.801 1.419) 5.159 34.572 ( -0.069 -1.812 -2.296) 2.926 34.677 ( -0.852 0.513 -0.832) 1.297 35.116 ( 7.822 8.804 0.406) 11.784 35.223 ( 5.374 12.238 -4.034) 13.961 35.874 ( 1.303 -0.875 2.957) 3.347 36.303 ( -4.017 -1.341 -4.217) 5.976 90.963 ( -0.213 2.012 -0.359) 2.055 91.016 ( -0.508 2.533 -0.487) 2.629 91.695 ( -2.554 -7.292 9.089) 11.930 91.724 ( 1.431 -5.211 6.984) 8.830 93.643 ( -0.304 4.790 -1.085) 4.920 93.666 ( 0.716 4.105 0.443) 4.190 94.215 ( -1.530 -1.658 3.489) 4.154 94.568 ( -6.495 -0.521 -1.798) 6.759 94.944 ( 5.128 -4.087 8.948) 11.093 95.667 ( 17.838 -20.558 1.699) 27.271 95.920 ( -5.544 -20.403 33.117) 39.291 97.131 ( -17.471 -30.457 -10.624) 36.684 97.906 ( -0.586 2.006 0.916) 2.282 98.011 ( -2.290 0.747 0.611) 2.485 98.783 ( -5.419 13.990 -0.455) 15.010 99.245 ( -9.729 0.174 -0.827) 9.765 102.421 ( -0.333 1.358 -0.460) 1.472 102.432 ( 0.474 1.315 0.558) 1.505 102.732 ( 1.620 4.858 0.161) 5.124 102.924 ( -1.518 2.058 -1.471) 2.950 107.576 ( -0.142 0.039 -0.573) 0.592 107.601 ( 0.524 -0.065 0.351) 0.634 107.794 ( 2.600 -2.291 -0.375) 3.486 107.848 ( 1.638 -2.111 -0.341) 2.694 ======================= Grid point 21 (14/126) ======================= q-point: ( 0.38 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 30.155 7.628 14.002) 34.111 2.729 ( 30.451 15.209 -7.314) 34.815 3.193 ( 14.184 11.175 33.044) 37.656 3.628 ( -26.955 18.143 26.584) 41.981 3.724 ( -23.636 21.901 0.029) 32.222 3.929 ( -30.888 15.123 -0.618) 34.397 4.444 ( 9.872 19.539 -21.273) 30.525 4.573 ( 13.662 26.642 3.911) 30.195 4.795 ( 22.105 27.611 -16.928) 39.212 5.038 ( -2.428 22.872 -9.307) 24.812 5.501 ( -16.564 12.318 -4.996) 21.238 5.816 ( -21.041 7.482 -7.405) 23.527 6.189 ( 11.730 -12.687 -1.739) 17.366 6.832 ( 1.917 -7.703 0.093) 7.939 7.001 ( 5.060 -5.208 -2.909) 7.822 7.039 ( -8.576 -7.408 4.777) 12.299 7.127 ( -1.438 2.770 0.932) 3.257 7.141 ( 0.148 -8.109 0.300) 8.115 7.406 ( -10.363 -6.482 -1.524) 12.318 7.508 ( -7.567 -0.649 -2.197) 7.907 7.730 ( -3.840 2.632 1.988) 5.062 7.909 ( 6.731 1.799 -0.894) 7.024 8.057 ( -9.375 2.604 2.420) 10.026 8.176 ( 2.149 -3.629 0.892) 4.312 8.403 ( 0.864 -4.054 -5.120) 6.588 8.572 ( 0.018 -0.616 1.128) 1.286 8.588 ( 0.882 -0.963 1.381) 1.900 8.658 ( -5.795 -2.884 -0.981) 6.547 8.864 ( 12.291 -11.244 -1.515) 16.727 9.056 ( 28.984 -18.551 1.608) 34.450 9.285 ( 26.855 -13.860 0.076) 30.221 9.466 ( 1.374 -2.563 -1.575) 3.307 9.507 ( 4.462 -8.901 2.230) 10.204 9.815 ( -3.616 -6.261 2.450) 7.634 10.190 ( -23.076 -10.318 -0.886) 25.293 10.284 ( -7.262 -4.430 0.603) 8.528 10.490 ( -12.066 -6.493 -2.282) 13.891 10.557 ( -11.176 -3.600 2.002) 11.911 10.738 ( 2.349 7.434 4.250) 8.879 10.885 ( 5.501 1.756 0.564) 5.802 11.024 ( 1.862 -3.998 1.753) 4.746 11.217 ( -1.051 -0.839 -3.322) 3.584 11.450 ( 7.944 8.929 -0.912) 11.987 11.493 ( 7.661 -1.857 -1.645) 8.053 11.538 ( -1.235 -24.055 0.076) 24.087 11.556 ( 1.398 -3.934 -0.271) 4.184 11.761 ( 3.489 -1.682 2.232) 4.470 11.784 ( 1.054 -8.947 5.789) 10.708 11.909 ( 6.016 -0.904 0.757) 6.131 12.039 ( 4.321 9.472 5.913) 11.973 12.090 ( -1.274 2.793 1.244) 3.312 12.260 ( -0.181 4.802 -2.016) 5.211 12.346 ( -4.724 2.104 0.889) 5.248 12.396 ( -0.916 -3.139 -1.590) 3.636 12.534 ( -5.215 1.870 -5.378) 7.721 12.667 ( -11.365 -0.273 -0.739) 11.392 12.873 ( -3.688 14.219 -2.581) 14.914 13.007 ( -1.775 8.174 -2.826) 8.829 13.220 ( -6.214 20.083 -4.669) 21.534 13.417 ( 10.460 0.804 0.109) 10.491 13.599 ( 3.409 2.652 5.755) 7.195 13.842 ( 3.764 4.931 -0.840) 6.260 14.085 ( -10.968 2.852 -4.391) 12.154 14.293 ( 7.422 7.932 -5.821) 12.324 14.403 ( -2.119 0.821 0.764) 2.398 14.581 ( -1.144 1.181 -0.349) 1.681 14.653 ( -7.478 1.688 0.224) 7.669 14.841 ( 0.051 0.291 1.760) 1.785 14.920 ( 0.891 -1.191 -1.461) 2.085 15.130 ( -2.288 2.667 -3.655) 5.070 15.375 ( -2.554 0.548 1.780) 3.162 15.635 ( 5.685 -2.651 0.643) 6.306 15.692 ( -4.901 0.716 1.297) 5.120 15.730 ( -5.230 7.900 -2.887) 9.905 15.825 ( 2.492 1.048 -1.773) 3.233 15.944 ( -4.658 0.104 -0.105) 4.661 16.147 ( 1.369 -2.519 0.688) 2.948 16.262 ( 1.782 -4.156 0.162) 4.525 16.412 ( 6.295 -6.241 8.303) 12.145 16.676 ( -2.299 -10.897 1.560) 11.246 16.830 ( 3.088 -0.269 1.335) 3.375 16.929 ( 1.937 -5.119 1.131) 5.588 17.070 ( 6.028 -4.520 1.211) 7.631 17.647 ( 1.637 -1.193 8.059) 8.310 17.688 ( 8.773 -6.527 -4.969) 12.011 17.878 ( -2.356 -1.286 -5.583) 6.194 18.136 ( 2.702 -4.573 4.269) 6.815 18.342 ( 3.703 -0.631 9.841) 10.534 18.608 ( 4.219 4.375 2.053) 6.415 18.708 ( 3.457 1.544 -2.946) 4.798 18.818 ( 1.907 3.397 -1.405) 4.141 19.057 ( 0.225 6.115 4.337) 7.500 19.498 ( -0.802 -0.546 0.496) 1.090 19.591 ( -0.237 -1.249 3.258) 3.497 20.154 ( -7.917 -8.096 -6.325) 12.970 20.370 ( 0.748 -14.583 1.610) 14.691 20.625 ( -8.874 2.841 -10.299) 13.889 20.836 ( -13.829 -0.951 -18.148) 22.837 21.205 ( 4.679 5.040 3.622) 7.772 21.450 ( 5.764 -12.458 6.415) 15.152 23.778 ( 0.627 0.696 -1.057) 1.413 23.876 ( -3.940 2.695 -2.808) 5.538 24.100 ( -2.324 7.105 -6.433) 9.863 24.347 ( 4.088 -1.640 -3.475) 5.610 24.715 ( -3.945 -1.424 -0.740) 4.259 24.839 ( -5.874 2.271 0.485) 6.316 25.465 ( 1.037 6.676 0.455) 6.772 25.501 ( 1.808 -3.195 -0.637) 3.726 25.603 ( -5.061 8.699 -1.093) 10.123 26.038 ( -3.567 -1.376 1.416) 4.077 26.463 ( 12.556 9.246 12.054) 19.709 26.623 ( 4.109 -7.543 14.461) 16.820 27.210 ( -4.429 8.268 3.014) 9.852 27.494 ( -7.756 -0.537 -18.651) 20.207 27.684 ( -6.665 8.529 11.582) 15.853 27.957 ( 0.762 7.388 -10.400) 12.779 28.922 ( 2.859 -2.004 8.561) 9.246 29.252 ( -2.298 -1.692 2.937) 4.095 29.390 ( 1.610 5.625 -5.802) 8.240 29.625 ( 1.952 -3.126 -1.701) 4.059 29.679 ( 3.759 1.907 4.571) 6.218 29.903 ( -4.809 0.564 -1.751) 5.149 30.441 ( 6.997 -4.656 1.715) 8.577 30.536 ( 5.254 -4.740 -0.504) 7.094 31.422 ( 2.931 2.305 0.632) 3.782 31.675 ( -1.501 2.243 -2.752) 3.855 31.830 ( -0.969 -4.261 -0.599) 4.411 31.959 ( 1.242 -6.800 -1.104) 7.000 32.092 ( -2.648 0.090 1.209) 2.912 32.354 ( 2.750 0.926 2.033) 3.543 32.612 ( -8.168 -4.097 -1.693) 9.294 32.711 ( -2.156 1.149 1.790) 3.029 33.299 ( 5.113 -1.827 2.706) 6.066 33.475 ( 0.942 3.341 -4.094) 5.368 33.673 ( -2.504 3.239 -4.132) 5.817 33.785 ( -2.915 5.708 1.737) 6.641 34.036 ( -0.232 2.400 -2.205) 3.267 34.248 ( 1.723 4.742 1.196) 5.185 34.542 ( 0.128 -1.315 -1.969) 2.371 34.668 ( 0.184 -0.870 -0.320) 0.945 35.215 ( 4.566 10.140 0.612) 11.138 35.250 ( 3.820 10.118 -2.566) 11.115 35.919 ( 0.574 -0.890 1.750) 2.046 36.195 ( -3.254 -0.938 -3.361) 4.771 90.940 ( -0.833 2.438 -1.103) 2.803 91.026 ( 0.553 2.318 0.979) 2.577 91.745 ( -1.847 -6.413 4.223) 7.898 91.826 ( 1.434 -6.424 4.982) 8.255 93.627 ( -0.176 4.331 -0.662) 4.385 93.689 ( 0.897 4.478 0.855) 4.646 94.232 ( -1.293 -1.732 2.407) 3.235 94.472 ( -3.396 0.979 -1.542) 3.856 95.228 ( 10.810 -10.831 17.509) 23.253 95.869 ( 15.729 -25.453 -10.402) 31.677 96.160 ( -11.666 -20.924 24.166) 34.028 96.671 ( -21.231 -23.895 -13.611) 34.742 97.913 ( -0.655 2.071 1.425) 2.598 97.989 ( -0.775 0.988 -0.516) 1.357 98.744 ( 0.712 14.718 -0.622) 14.749 99.080 ( -9.967 6.118 -1.021) 11.739 102.413 ( -0.173 1.332 -0.291) 1.374 102.443 ( 0.234 1.270 0.401) 1.352 102.765 ( 2.994 4.062 -0.320) 5.056 102.884 ( -2.455 2.422 -0.392) 3.471 107.567 ( -0.097 0.098 -0.389) 0.413 107.611 ( 0.284 -0.095 0.229) 0.377 107.818 ( 1.313 -2.337 -0.347) 2.702 107.868 ( 1.278 -2.669 -0.109) 2.961 ======================= Grid point 22 (15/126) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.975 ( 0.000 18.265 0.000) 18.265 3.110 ( 0.000 8.402 0.000) 8.402 3.294 ( -0.000 -13.538 0.000) 13.538 3.345 ( -0.000 11.653 0.000) 11.653 3.678 ( 0.000 20.429 0.000) 20.429 3.729 ( 0.000 16.544 0.000) 16.544 4.257 ( 0.000 16.456 -0.000) 16.456 4.729 ( -0.000 17.219 0.000) 17.219 4.848 ( 0.000 18.339 -0.000) 18.339 5.143 ( 0.000 29.756 0.000) 29.756 5.319 ( 0.000 28.932 0.000) 28.932 5.505 ( -0.000 27.500 -0.000) 27.500 6.270 ( 0.000 -14.476 0.000) 14.476 6.832 ( -0.000 -7.873 0.000) 7.873 6.998 ( 0.000 -6.762 -0.000) 6.762 7.004 ( -0.000 -5.667 0.000) 5.667 7.161 ( -0.000 -1.622 0.000) 1.622 7.171 ( 0.000 2.025 0.000) 2.025 7.277 ( 0.000 -6.568 0.000) 6.568 7.438 ( 0.000 -4.437 0.000) 4.437 7.717 ( -0.000 6.683 0.000) 6.683 7.929 ( 0.000 -4.938 0.000) 4.938 8.020 ( 0.000 4.265 0.000) 4.265 8.218 ( 0.000 -0.620 0.000) 0.620 8.385 ( 0.000 -9.289 0.000) 9.289 8.538 ( 0.000 -3.264 0.000) 3.264 8.581 ( 0.000 0.089 0.000) 0.089 8.644 ( 0.000 1.254 0.000) 1.254 8.891 ( -0.000 -8.450 0.000) 8.450 9.426 ( 0.000 -2.102 0.000) 2.102 9.482 ( 0.000 -8.940 0.000) 8.940 9.564 ( 0.000 -15.217 0.000) 15.217 9.579 ( 0.000 -15.175 0.000) 15.175 9.792 ( -0.000 -18.413 0.000) 18.413 9.875 ( 0.000 -10.699 0.000) 10.699 10.140 ( 0.000 -6.931 0.000) 6.931 10.392 ( 0.000 -3.391 0.000) 3.391 10.505 ( 0.000 -2.979 0.000) 2.979 10.794 ( 0.000 4.416 0.000) 4.416 10.930 ( 0.000 4.772 0.000) 4.772 11.067 ( 0.000 -3.895 0.000) 3.895 11.164 ( 0.000 -3.528 0.000) 3.528 11.507 ( 0.000 3.003 -0.000) 3.003 11.513 ( -0.000 -21.955 0.000) 21.955 11.551 ( 0.000 15.928 0.000) 15.928 11.558 ( -0.000 -22.988 0.000) 22.988 11.792 ( -0.000 -9.538 0.000) 9.538 11.850 ( 0.000 -6.985 -0.000) 6.985 12.029 ( -0.000 0.019 0.000) 0.019 12.052 ( 0.000 20.116 0.000) 20.116 12.151 ( 0.000 8.652 0.000) 8.652 12.255 ( -0.000 6.298 0.000) 6.298 12.272 ( 0.000 3.618 -0.000) 3.618 12.404 ( 0.000 -2.880 0.000) 2.880 12.471 ( -0.000 -3.218 0.000) 3.218 12.502 ( 0.000 1.092 -0.000) 1.092 12.828 ( 0.000 6.947 0.000) 6.947 13.014 ( 0.000 20.400 0.000) 20.400 13.103 ( -0.000 16.012 0.000) 16.012 13.509 ( 0.000 4.064 0.000) 4.064 13.734 ( 0.000 1.878 0.000) 1.878 13.829 ( -0.000 -5.719 0.000) 5.719 13.930 ( 0.000 11.335 0.000) 11.335 14.275 ( 0.000 8.146 0.000) 8.146 14.461 ( 0.000 -6.384 0.000) 6.384 14.556 ( 0.000 6.610 0.000) 6.610 14.586 ( 0.000 -0.601 0.000) 0.601 14.847 ( 0.000 -0.321 0.000) 0.321 14.956 ( 0.000 1.706 0.000) 1.706 15.050 ( 0.000 3.716 -0.000) 3.716 15.390 ( 0.000 3.872 0.000) 3.872 15.590 ( 0.000 -4.245 0.000) 4.245 15.699 ( 0.000 7.512 -0.000) 7.512 15.704 ( -0.000 0.242 0.000) 0.242 15.853 ( -0.000 6.437 0.000) 6.437 15.896 ( 0.000 -5.689 0.000) 5.689 16.159 ( 0.000 -2.157 0.000) 2.157 16.276 ( 0.000 -5.807 0.000) 5.807 16.589 ( -0.000 -13.097 -0.000) 13.097 16.598 ( 0.000 -4.599 0.000) 4.599 16.901 ( 0.000 -5.257 0.000) 5.257 16.902 ( -0.000 -2.038 -0.000) 2.038 17.141 ( 0.000 -6.424 0.000) 6.424 17.653 ( 0.000 -2.120 0.000) 2.120 17.749 ( 0.000 -8.394 0.000) 8.394 17.843 ( 0.000 3.019 0.000) 3.019 18.186 ( 0.000 -6.137 0.000) 6.137 18.442 ( 0.000 2.623 0.000) 2.623 18.664 ( 0.000 8.801 0.000) 8.801 18.706 ( -0.000 1.480 -0.000) 1.480 18.900 ( 0.000 -13.966 0.000) 13.966 19.057 ( 0.000 7.358 0.000) 7.358 19.500 ( 0.000 1.520 0.000) 1.520 19.641 ( 0.000 -1.536 0.000) 1.536 19.959 ( 0.000 -1.179 0.000) 1.179 20.387 ( 0.000 -16.684 0.000) 16.684 20.484 ( 0.000 0.772 0.000) 0.772 20.619 ( 0.000 6.597 0.000) 6.597 21.271 ( 0.000 4.988 0.000) 4.988 21.534 ( 0.000 -12.887 0.000) 12.887 23.768 ( 0.000 -1.524 0.000) 1.524 23.834 ( 0.000 4.794 0.000) 4.794 24.036 ( 0.000 8.807 0.000) 8.807 24.362 ( 0.000 -2.765 0.000) 2.765 24.682 ( 0.000 0.874 -0.000) 0.874 24.794 ( 0.000 1.215 0.000) 1.215 25.471 ( 0.000 7.480 0.000) 7.480 25.513 ( 0.000 2.527 0.000) 2.527 25.554 ( 0.000 3.149 0.000) 3.149 25.996 ( 0.000 -0.520 0.000) 0.520 26.631 ( 0.000 1.123 -0.000) 1.123 26.993 ( 0.000 -0.626 0.000) 0.626 27.027 ( -0.000 5.838 -0.000) 5.838 27.255 ( -0.000 3.752 -0.000) 3.752 27.765 ( 0.000 4.623 0.000) 4.623 27.857 ( 0.000 10.983 0.000) 10.983 29.011 ( 0.000 -2.476 0.000) 2.476 29.289 ( 0.000 -1.955 0.000) 1.955 29.302 ( -0.000 6.737 -0.000) 6.737 29.648 ( 0.000 -4.993 0.000) 4.993 29.770 ( -0.000 0.949 0.000) 0.949 29.827 ( 0.000 0.765 0.000) 0.765 30.474 ( 0.000 -5.074 0.000) 5.074 30.609 ( 0.000 -6.009 0.000) 6.009 31.449 ( 0.000 2.184 0.000) 2.184 31.633 ( 0.000 5.849 0.000) 5.849 31.814 ( 0.000 -5.767 0.000) 5.767 31.961 ( 0.000 -7.430 0.000) 7.430 32.088 ( 0.000 1.003 0.000) 1.003 32.395 ( 0.000 0.635 0.000) 0.635 32.533 ( 0.000 -3.924 0.000) 3.924 32.706 ( 0.000 -1.059 0.000) 1.059 33.383 ( 0.000 -2.443 0.000) 2.443 33.440 ( 0.000 5.088 0.000) 5.088 33.612 ( 0.000 4.145 0.000) 4.145 33.778 ( -0.000 5.232 0.000) 5.232 34.019 ( 0.000 2.822 0.000) 2.822 34.269 ( 0.000 5.134 0.000) 5.134 34.530 ( 0.000 -1.568 0.000) 1.568 34.668 ( 0.000 -1.025 0.000) 1.025 35.252 ( 0.000 13.509 0.000) 13.509 35.265 ( 0.000 6.441 0.000) 6.441 35.934 ( 0.000 -0.982 0.000) 0.982 36.147 ( 0.000 -0.648 0.000) 0.648 90.926 ( 0.000 2.617 0.000) 2.617 91.038 ( 0.000 2.200 0.000) 2.200 91.757 ( 0.000 -5.966 0.000) 5.966 91.871 ( 0.000 -6.997 0.000) 6.997 93.622 ( 0.000 4.173 0.000) 4.173 93.703 ( 0.000 4.495 0.000) 4.495 94.238 ( 0.000 -1.771 0.000) 1.771 94.437 ( 0.000 1.343 0.000) 1.343 95.570 ( -0.000 -20.468 -0.000) 20.468 95.803 ( 0.000 -25.526 0.000) 25.526 96.220 ( 0.000 -17.743 -0.000) 17.743 96.390 ( -0.000 -17.633 0.000) 17.633 97.919 ( 0.000 2.091 0.000) 2.091 97.979 ( 0.000 1.038 0.000) 1.038 98.757 ( 0.000 14.439 0.000) 14.439 98.986 ( 0.000 8.612 0.000) 8.612 102.410 ( 0.000 1.318 0.000) 1.318 102.448 ( 0.000 1.254 0.000) 1.254 102.794 ( 0.000 3.765 0.000) 3.765 102.856 ( -0.000 2.457 0.000) 2.457 107.564 ( 0.000 0.127 0.000) 0.127 107.614 ( 0.000 -0.103 0.000) 0.103 107.825 ( 0.000 -2.242 0.000) 2.242 107.877 ( 0.000 -2.972 0.000) 2.972 ======================= Grid point 27 (16/126) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 0.000 37.822 0.000) 37.822 2.946 ( 0.000 46.318 0.000) 46.318 3.257 ( 0.000 37.252 0.000) 37.252 4.099 ( 0.000 51.442 0.000) 51.442 4.452 ( 0.000 46.824 0.000) 46.824 4.640 ( 0.000 20.401 0.000) 20.401 4.687 ( 0.000 -14.719 0.000) 14.719 5.622 ( 0.000 39.441 0.000) 39.441 5.738 ( 0.000 0.656 0.000) 0.656 5.842 ( 0.000 -0.889 0.000) 0.889 6.060 ( 0.000 19.181 0.000) 19.181 6.110 ( 0.000 -8.725 0.000) 8.725 6.354 ( 0.000 -13.499 0.000) 13.499 6.444 ( 0.000 -12.576 0.000) 12.576 6.557 ( 0.000 -19.935 0.000) 19.935 6.802 ( 0.000 -13.672 0.000) 13.672 6.836 ( 0.000 -11.422 0.000) 11.422 7.050 ( 0.000 -11.431 0.000) 11.431 7.084 ( 0.000 -11.141 0.000) 11.141 7.200 ( 0.000 -8.545 0.000) 8.545 7.278 ( 0.000 -9.708 0.000) 9.708 7.671 ( 0.000 -2.803 0.000) 2.803 7.972 ( 0.000 2.578 0.000) 2.578 8.160 ( 0.000 2.211 0.000) 2.211 8.281 ( 0.000 0.311 0.000) 0.311 8.344 ( 0.000 -0.310 0.000) 0.310 8.495 ( 0.000 6.120 0.000) 6.120 8.506 ( 0.000 -1.965 0.000) 1.965 8.969 ( 0.000 -1.332 0.000) 1.332 8.989 ( 0.000 -6.867 0.000) 6.867 9.085 ( 0.000 0.462 0.000) 0.462 9.170 ( 0.000 5.391 0.000) 5.391 9.589 ( 0.000 -2.001 0.000) 2.001 9.608 ( 0.000 -2.515 0.000) 2.515 10.027 ( 0.000 -29.398 0.000) 29.398 10.156 ( 0.000 -27.264 0.000) 27.264 10.559 ( 0.000 12.867 0.000) 12.867 10.601 ( 0.000 1.085 0.000) 1.085 10.859 ( 0.000 0.739 0.000) 0.739 10.884 ( 0.000 5.778 0.000) 5.778 11.198 ( 0.000 -6.784 0.000) 6.784 11.241 ( 0.000 -17.442 0.000) 17.442 11.279 ( 0.000 -5.053 0.000) 5.053 11.318 ( 0.000 -1.150 0.000) 1.150 11.385 ( 0.000 -10.476 0.000) 10.476 11.393 ( 0.000 -1.423 0.000) 1.423 11.545 ( 0.000 4.075 0.000) 4.075 11.672 ( 0.000 2.037 0.000) 2.037 11.748 ( 0.000 -5.266 0.000) 5.266 12.055 ( 0.000 17.606 0.000) 17.606 12.073 ( 0.000 5.204 0.000) 5.204 12.142 ( 0.000 2.810 0.000) 2.810 12.194 ( 0.000 3.763 0.000) 3.763 12.299 ( 0.000 -7.990 0.000) 7.990 12.950 ( 0.000 -0.993 0.000) 0.993 13.090 ( 0.000 1.862 0.000) 1.862 13.179 ( 0.000 7.524 0.000) 7.524 13.325 ( 0.000 2.783 0.000) 2.783 13.446 ( 0.000 13.338 0.000) 13.338 13.691 ( 0.000 10.412 0.000) 10.412 13.738 ( 0.000 14.224 0.000) 14.224 13.749 ( 0.000 8.884 0.000) 8.884 14.271 ( 0.000 3.851 0.000) 3.851 14.472 ( 0.000 4.747 0.000) 4.747 14.681 ( 0.000 -1.107 0.000) 1.107 14.748 ( 0.000 -4.109 0.000) 4.109 14.762 ( 0.000 -5.747 0.000) 5.747 14.961 ( 0.000 -0.593 0.000) 0.593 15.063 ( 0.000 4.310 0.000) 4.310 15.089 ( 0.000 -1.586 0.000) 1.586 15.334 ( 0.000 4.288 0.000) 4.288 15.650 ( 0.000 4.021 0.000) 4.021 15.666 ( 0.000 -0.739 0.000) 0.739 15.798 ( 0.000 -8.299 0.000) 8.299 15.857 ( 0.000 -4.846 0.000) 4.846 16.088 ( 0.000 1.762 0.000) 1.762 16.133 ( 0.000 -1.064 0.000) 1.064 16.199 ( 0.000 -7.465 0.000) 7.465 16.241 ( 0.000 0.035 0.000) 0.035 16.338 ( 0.000 6.823 0.000) 6.823 16.624 ( 0.000 5.601 0.000) 5.601 16.815 ( 0.000 -5.228 0.000) 5.228 16.835 ( 0.000 0.089 0.000) 0.089 17.044 ( 0.000 -7.607 0.000) 7.607 17.440 ( 0.000 -12.630 0.000) 12.630 17.669 ( 0.000 -5.084 0.000) 5.084 17.719 ( 0.000 -9.213 0.000) 9.213 18.307 ( 0.000 -9.982 0.000) 9.982 18.646 ( 0.000 6.619 0.000) 6.619 18.744 ( 0.000 6.647 0.000) 6.647 19.105 ( 0.000 7.634 0.000) 7.634 19.393 ( 0.000 -2.092 0.000) 2.092 19.529 ( 0.000 -1.192 0.000) 1.192 19.580 ( 0.000 -0.608 0.000) 0.608 19.626 ( 0.000 -0.072 0.000) 0.072 20.055 ( 0.000 -15.258 0.000) 15.258 20.682 ( 0.000 5.008 0.000) 5.008 21.138 ( 0.000 10.700 0.000) 10.700 21.393 ( 0.000 3.690 0.000) 3.690 21.694 ( 0.000 -21.108 0.000) 21.108 23.873 ( 0.000 3.996 0.000) 3.996 23.929 ( 0.000 -8.344 0.000) 8.344 24.517 ( 0.000 7.455 0.000) 7.455 24.706 ( 0.000 5.767 0.000) 5.767 24.871 ( 0.000 8.506 0.000) 8.506 24.959 ( 0.000 -5.793 0.000) 5.793 25.271 ( 0.000 8.922 0.000) 8.922 25.360 ( 0.000 -6.883 0.000) 6.883 25.386 ( 0.000 -1.654 0.000) 1.654 25.716 ( 0.000 -0.204 0.000) 0.204 26.449 ( 0.000 7.125 0.000) 7.125 26.537 ( 0.000 6.973 0.000) 6.973 27.282 ( 0.000 -2.987 0.000) 2.987 27.529 ( 0.000 -3.940 0.000) 3.940 28.262 ( 0.000 7.261 0.000) 7.261 28.365 ( 0.000 4.995 0.000) 4.995 28.807 ( 0.000 1.701 0.000) 1.701 28.945 ( 0.000 -3.183 0.000) 3.183 29.407 ( 0.000 4.768 0.000) 4.768 29.525 ( 0.000 -0.405 0.000) 0.405 29.895 ( 0.000 -0.197 0.000) 0.197 29.947 ( 0.000 -3.234 0.000) 3.234 30.219 ( 0.000 -4.271 0.000) 4.271 30.272 ( 0.000 -0.996 0.000) 0.996 31.452 ( 0.000 -1.647 0.000) 1.647 31.556 ( 0.000 -2.635 0.000) 2.635 31.698 ( 0.000 0.207 0.000) 0.207 31.894 ( 0.000 -6.554 0.000) 6.554 32.150 ( 0.000 0.916 0.000) 0.916 32.283 ( 0.000 4.136 0.000) 4.136 32.845 ( 0.000 -9.831 0.000) 9.831 32.938 ( 0.000 -7.445 0.000) 7.445 33.090 ( 0.000 15.182 0.000) 15.182 33.668 ( 0.000 7.705 0.000) 7.705 33.819 ( 0.000 1.845 0.000) 1.845 33.994 ( 0.000 -1.601 0.000) 1.601 34.084 ( 0.000 2.579 0.000) 2.579 34.217 ( 0.000 4.501 0.000) 4.501 34.500 ( 0.000 -4.464 0.000) 4.464 34.687 ( 0.000 -7.370 0.000) 7.370 35.224 ( 0.000 16.648 0.000) 16.648 35.464 ( 0.000 13.247 0.000) 13.247 35.790 ( 0.000 -0.290 0.000) 0.290 36.367 ( 0.000 -4.812 0.000) 4.812 91.014 ( 0.000 3.441 0.000) 3.441 91.113 ( 0.000 3.114 0.000) 3.114 91.412 ( 0.000 -4.576 0.000) 4.576 91.507 ( 0.000 -4.762 0.000) 4.762 93.737 ( 0.000 5.188 0.000) 5.188 93.806 ( 0.000 7.474 0.000) 7.474 94.139 ( 0.000 -2.781 0.000) 2.781 94.545 ( 0.000 -8.447 0.000) 8.447 94.935 ( 0.000 4.025 0.000) 4.025 95.010 ( 0.000 -1.882 0.000) 1.882 95.298 ( 0.000 -4.561 0.000) 4.561 96.793 ( 0.000 -37.565 0.000) 37.565 97.956 ( 0.000 2.645 0.000) 2.645 98.046 ( 0.000 0.008 0.000) 0.008 99.124 ( 0.000 5.970 0.000) 5.970 99.290 ( 0.000 -0.858 0.000) 0.858 102.441 ( 0.000 1.453 0.000) 1.453 102.464 ( 0.000 1.096 0.000) 1.096 102.818 ( 0.000 4.853 0.000) 4.853 102.987 ( 0.000 -0.113 0.000) 0.113 107.582 ( 0.000 0.039 0.000) 0.039 107.589 ( 0.000 -0.055 0.000) 0.055 107.729 ( 0.000 0.084 0.000) 0.084 107.795 ( 0.000 -1.552 0.000) 1.552 ======================= Grid point 28 (17/126) ======================= q-point: ( 0.12 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 2.366 30.854 24.308) 39.350 2.773 ( -17.307 38.359 5.876) 42.490 3.173 ( -8.298 34.997 -3.881) 36.176 4.309 ( -8.314 23.466 8.200) 26.211 4.358 ( 6.617 36.782 2.475) 37.454 4.675 ( 20.937 40.547 -2.721) 45.714 4.912 ( 16.929 4.082 -8.016) 19.170 5.213 ( -43.864 -0.976 3.624) 44.024 5.496 ( -25.171 -3.500 -2.752) 25.561 5.773 ( 1.385 -1.411 -9.806) 10.004 5.857 ( -5.101 36.847 -0.075) 37.198 6.126 ( -7.396 11.053 -0.046) 13.299 6.356 ( -6.535 -8.415 -1.698) 10.789 6.571 ( 1.695 -1.347 -4.111) 4.646 6.720 ( 15.266 -5.617 2.547) 16.465 6.901 ( 29.214 -20.633 -0.149) 35.766 6.978 ( -4.658 -5.077 2.511) 7.333 6.986 ( -10.361 -12.415 3.731) 16.595 7.193 ( 26.874 -19.605 -0.672) 33.272 7.248 ( 14.318 -13.639 -3.306) 20.049 7.427 ( 6.817 -6.990 -2.747) 10.143 7.672 ( 12.128 -3.704 -2.814) 12.989 8.044 ( 7.248 -0.982 -0.884) 7.368 8.075 ( -3.844 3.476 -7.178) 8.854 8.282 ( -2.908 2.170 1.197) 3.821 8.344 ( -1.142 1.024 4.749) 4.991 8.502 ( 0.361 1.440 0.274) 1.510 8.513 ( 0.881 0.144 -0.690) 1.129 8.840 ( -9.571 -2.225 -3.894) 10.570 8.923 ( -8.773 -4.748 0.442) 9.985 9.028 ( -2.981 4.399 -3.481) 6.352 9.260 ( 1.933 -0.277 5.669) 5.996 9.579 ( -3.823 -1.827 -0.181) 4.241 9.614 ( -0.509 -3.137 4.148) 5.225 10.041 ( -0.273 -28.268 1.336) 28.300 10.176 ( 2.261 -27.659 0.846) 27.764 10.543 ( -0.186 0.960 0.417) 1.062 10.630 ( -1.023 4.019 0.716) 4.209 10.817 ( -6.503 3.152 3.083) 7.857 10.915 ( -4.282 -1.286 -0.186) 4.475 11.032 ( -8.957 -4.899 -0.605) 10.227 11.233 ( -5.298 -17.498 3.260) 18.571 11.246 ( -4.549 -7.780 -1.965) 9.224 11.324 ( -2.670 -8.096 -1.812) 8.716 11.373 ( 5.352 -1.729 1.320) 5.777 11.513 ( 9.701 3.478 0.760) 10.334 11.536 ( 0.786 4.728 -1.580) 5.047 11.605 ( -6.838 -1.350 2.284) 7.335 11.820 ( 6.616 1.142 3.891) 7.760 11.901 ( -8.581 8.168 -0.244) 11.850 12.122 ( -0.296 3.109 -0.114) 3.125 12.246 ( 5.176 3.019 3.390) 6.885 12.338 ( 8.867 -1.823 -3.031) 9.546 12.349 ( 12.594 8.108 3.745) 15.440 12.862 ( -6.827 -0.754 -3.283) 7.613 12.969 ( -2.561 2.888 -10.182) 10.889 13.220 ( -3.472 5.708 5.844) 8.876 13.337 ( 3.937 5.514 -5.643) 8.818 13.416 ( -1.848 13.566 -1.274) 13.750 13.661 ( -4.621 11.904 4.272) 13.465 13.729 ( 0.203 7.158 -1.912) 7.411 13.851 ( 9.513 13.863 1.001) 16.843 14.228 ( -1.518 4.573 -4.147) 6.357 14.463 ( 2.348 2.740 -5.835) 6.860 14.672 ( 0.369 -0.906 -1.780) 2.031 14.717 ( -1.360 -0.128 -1.887) 2.330 14.749 ( -4.623 -6.208 2.568) 8.155 14.903 ( -6.917 1.931 1.793) 7.402 15.061 ( -3.048 1.223 -1.834) 3.761 15.128 ( 3.474 0.010 1.178) 3.668 15.308 ( 1.654 -0.351 -1.196) 2.071 15.574 ( -4.610 -0.490 -5.052) 6.857 15.670 ( -1.228 -0.263 2.460) 2.762 15.773 ( -0.542 -2.628 0.512) 2.732 15.905 ( 1.345 -2.338 1.087) 2.908 16.098 ( 0.874 1.404 -3.235) 3.633 16.113 ( -4.808 -0.882 6.685) 8.282 16.207 ( 1.614 0.240 -2.446) 2.940 16.287 ( 5.785 -7.492 1.274) 9.551 16.370 ( -2.725 4.318 4.511) 6.813 16.635 ( 2.554 -1.866 -0.272) 3.175 16.780 ( 1.401 -4.670 -6.584) 8.192 16.862 ( -2.264 -2.801 4.213) 5.542 17.094 ( 9.607 -0.695 2.891) 10.057 17.513 ( 3.094 -12.252 5.708) 13.866 17.674 ( 0.837 -6.378 0.361) 6.443 17.812 ( 3.596 -7.435 7.954) 11.466 18.240 ( -6.538 -8.755 -1.964) 11.102 18.671 ( 3.119 5.752 -1.264) 6.664 18.737 ( 0.539 5.917 -0.783) 5.993 19.118 ( 1.627 7.873 0.057) 8.039 19.217 ( -8.353 4.301 -8.430) 12.623 19.492 ( -0.824 -2.715 1.238) 3.095 19.539 ( -2.706 -1.011 -1.689) 3.346 19.843 ( 8.374 -6.522 8.206) 13.417 20.071 ( 0.960 -13.495 0.771) 13.551 20.784 ( 8.646 3.106 4.433) 10.201 21.130 ( 1.010 9.043 -1.977) 9.311 21.311 ( -5.126 3.181 -6.019) 8.522 21.554 ( -8.995 -17.166 -10.854) 22.213 23.839 ( -0.642 0.755 -2.467) 2.659 23.963 ( 0.539 -4.092 1.838) 4.518 24.400 ( -1.862 6.772 -9.379) 11.717 24.645 ( 1.953 6.670 -12.161) 14.007 24.831 ( -5.091 -1.959 -0.247) 5.460 25.040 ( 0.709 -1.299 -1.740) 2.284 25.295 ( 5.081 5.994 12.377) 14.661 25.386 ( 4.687 3.726 3.762) 7.071 25.539 ( -1.178 -3.966 8.477) 9.433 25.749 ( -0.566 -0.712 8.244) 8.294 26.395 ( -2.751 7.912 0.586) 8.397 26.543 ( -3.782 4.655 1.353) 6.148 27.256 ( 2.224 0.029 -4.657) 5.161 27.646 ( 4.613 -3.843 8.700) 10.570 28.173 ( -7.444 6.100 -3.803) 10.348 28.203 ( -7.515 6.021 -8.313) 12.721 28.854 ( -2.788 -0.141 0.090) 2.793 28.995 ( 2.047 -1.571 8.618) 8.996 29.468 ( 4.236 4.595 3.695) 7.260 29.546 ( 2.127 1.649 0.394) 2.720 29.831 ( -3.563 0.641 -4.615) 5.865 29.954 ( 1.104 -3.674 0.282) 3.847 30.160 ( -0.495 -3.262 -3.505) 4.813 30.340 ( 6.234 -3.813 -1.601) 7.481 31.441 ( -1.302 0.792 0.621) 1.645 31.581 ( 2.616 -3.290 0.525) 4.236 31.729 ( 3.549 -1.810 -0.141) 3.987 31.877 ( -0.023 -5.287 -2.089) 5.685 32.159 ( -1.664 0.354 2.266) 2.834 32.282 ( -0.464 3.786 1.146) 3.982 32.787 ( -6.999 -8.740 -0.450) 11.206 32.880 ( -6.763 -3.596 0.266) 7.664 33.139 ( 5.537 11.209 0.125) 12.503 33.650 ( 3.076 7.073 -6.087) 9.826 33.811 ( -1.002 2.010 0.128) 2.250 33.985 ( -2.113 0.429 0.835) 2.312 34.113 ( 1.369 2.427 0.717) 2.878 34.206 ( 0.039 3.493 0.083) 3.495 34.500 ( -0.189 -4.805 0.072) 4.809 34.676 ( -1.659 -5.616 0.215) 5.860 35.254 ( 4.647 14.865 -0.734) 15.591 35.468 ( 2.213 13.144 -1.687) 13.436 35.810 ( 1.360 -0.541 1.456) 2.064 36.335 ( -2.020 -4.649 -2.582) 5.688 91.017 ( 0.245 3.694 0.309) 3.715 91.100 ( -0.814 3.327 -0.908) 3.543 91.461 ( -0.092 -6.007 6.719) 9.013 91.534 ( 0.557 -5.380 3.501) 6.442 93.745 ( 0.636 5.434 0.631) 5.507 93.792 ( -0.656 7.519 -1.181) 7.639 94.150 ( -0.504 -2.718 2.133) 3.491 94.554 ( -2.972 -7.592 3.983) 9.073 94.871 ( 0.051 1.852 -5.359) 5.670 95.118 ( 3.905 -5.475 8.943) 11.190 95.409 ( 6.629 -6.677 7.495) 12.029 96.716 ( -6.435 -36.267 -4.701) 37.132 97.956 ( -0.468 2.720 0.617) 2.828 98.042 ( -1.514 0.388 1.125) 1.926 99.080 ( -4.167 7.430 -0.799) 8.556 99.291 ( -0.438 -0.941 -0.442) 1.128 102.446 ( 0.360 1.386 0.308) 1.465 102.460 ( -0.208 1.211 -0.327) 1.272 102.820 ( -0.176 4.790 0.620) 4.833 102.976 ( -0.392 0.233 -1.046) 1.141 107.584 ( 0.042 0.017 -0.244) 0.248 107.589 ( 0.291 -0.031 0.089) 0.306 107.739 ( 1.166 -0.362 0.172) 1.233 107.798 ( 0.596 -1.653 -0.194) 1.768 ======================= Grid point 29 (18/126) ======================= q-point: ( 0.25 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( -0.946 16.712 14.162) 21.926 2.875 ( 4.273 23.345 24.342) 33.997 3.045 ( 0.709 27.632 -0.520) 27.646 4.035 ( -35.285 3.480 18.243) 39.874 4.444 ( -39.950 -5.346 0.861) 40.316 4.583 ( -25.734 6.857 -6.865) 27.502 4.839 ( 26.668 37.483 -7.171) 46.558 5.130 ( 3.186 21.160 -5.528) 22.101 5.320 ( 23.554 36.344 -9.415) 44.320 5.716 ( 2.568 -6.620 -4.849) 8.599 5.773 ( 0.090 25.228 -5.519) 25.825 6.027 ( -5.024 20.260 -2.466) 21.019 6.201 ( -3.507 6.209 -3.210) 7.820 6.618 ( 6.501 -6.581 -0.901) 9.295 6.769 ( -5.645 -9.475 1.394) 11.117 6.922 ( -7.466 -9.030 8.390) 14.411 7.027 ( 7.293 2.299 -2.351) 8.001 7.162 ( 5.997 -9.512 -3.384) 11.743 7.306 ( -1.406 -1.583 -4.021) 4.544 7.501 ( 17.857 -9.483 3.000) 20.440 7.721 ( 28.923 -15.195 1.165) 32.692 7.887 ( -9.307 4.284 -6.038) 11.893 7.940 ( 22.511 -8.588 -1.718) 24.155 8.100 ( 5.999 -2.126 -4.566) 7.833 8.323 ( 7.520 0.508 -0.836) 7.583 8.372 ( 0.824 0.848 1.275) 1.739 8.494 ( -1.198 1.769 -1.147) 2.426 8.559 ( 3.440 -2.526 5.129) 6.672 8.678 ( -9.274 -2.625 0.763) 9.668 8.791 ( -4.834 0.198 -1.664) 5.116 8.929 ( -3.951 -2.663 -2.627) 5.441 9.322 ( -2.026 -4.930 3.982) 6.653 9.501 ( -5.343 -1.085 -0.676) 5.494 9.670 ( 0.463 -5.205 3.771) 6.444 10.045 ( 0.073 -24.619 0.427) 24.623 10.220 ( 0.331 -28.248 0.589) 28.256 10.425 ( -24.347 -7.860 -2.081) 25.669 10.562 ( 0.742 -10.443 -0.183) 10.471 10.750 ( -10.634 -3.138 3.803) 11.721 10.840 ( -11.408 -3.795 0.819) 12.050 10.904 ( -5.826 -3.238 4.285) 7.924 11.132 ( -4.092 -12.504 -1.711) 13.267 11.197 ( -5.330 -13.305 2.184) 14.498 11.298 ( 1.826 2.894 -3.978) 5.248 11.438 ( -4.957 -10.176 8.187) 13.970 11.552 ( 7.900 -0.275 0.831) 7.948 11.632 ( 9.408 11.226 -2.912) 14.934 11.740 ( 15.057 8.958 3.364) 17.840 11.819 ( -3.215 3.289 0.978) 4.702 12.004 ( 8.901 5.193 6.147) 11.999 12.102 ( 0.982 -0.446 -1.909) 2.192 12.294 ( -1.353 2.434 0.304) 2.801 12.433 ( 5.605 5.633 -2.505) 8.332 12.530 ( 1.140 8.866 4.318) 9.927 12.764 ( 2.547 0.739 -5.859) 6.431 12.804 ( -2.974 3.217 -7.201) 8.429 13.219 ( -5.557 4.306 5.302) 8.806 13.271 ( 3.425 12.692 -9.055) 15.963 13.389 ( -2.961 13.455 1.040) 13.816 13.664 ( 2.866 10.675 -2.074) 11.246 13.719 ( -0.945 9.142 0.957) 9.241 13.977 ( 5.173 14.601 -0.966) 15.520 14.160 ( 1.419 2.264 -4.269) 5.036 14.373 ( -2.188 -0.403 -7.208) 7.543 14.605 ( -4.290 -4.607 -4.799) 7.916 14.655 ( -4.832 5.951 -1.792) 7.873 14.709 ( -4.819 -4.896 0.566) 6.893 14.858 ( -2.347 4.606 4.419) 6.801 14.980 ( -2.818 0.488 -0.860) 2.987 15.175 ( 3.464 3.465 -2.144) 5.348 15.349 ( 1.615 -7.257 -2.190) 7.750 15.463 ( -3.108 -1.393 2.644) 4.312 15.710 ( 0.699 -1.201 3.293) 3.574 15.792 ( 1.216 -0.993 1.431) 2.124 15.903 ( -2.101 -5.300 0.177) 5.704 16.059 ( -5.619 4.654 0.125) 7.298 16.139 ( -2.909 1.027 1.173) 3.300 16.211 ( 3.146 1.195 -4.629) 5.723 16.244 ( -2.667 0.255 1.927) 3.300 16.416 ( 1.114 -9.801 0.990) 9.914 16.710 ( 6.498 -9.635 -0.267) 11.625 16.764 ( 1.005 -2.320 1.685) 3.038 16.909 ( 3.262 -2.364 3.055) 5.056 17.330 ( 12.200 -2.486 5.588) 13.647 17.607 ( 3.837 -4.063 -1.247) 5.726 17.750 ( 2.140 -11.012 9.697) 14.828 17.944 ( 2.196 -7.017 2.376) 7.727 18.127 ( -6.547 -7.386 3.762) 10.563 18.665 ( 0.304 5.297 -2.376) 5.814 18.758 ( 3.088 3.630 -1.604) 5.029 19.037 ( -3.446 7.120 -5.909) 9.874 19.152 ( 1.874 7.481 1.024) 7.780 19.486 ( -1.711 -1.128 0.018) 2.049 19.519 ( -0.090 -2.677 3.351) 4.290 20.001 ( 2.959 -9.485 3.232) 10.448 20.086 ( 0.128 -11.087 -0.005) 11.088 20.912 ( 0.694 0.826 -6.048) 6.144 21.114 ( 1.590 -2.778 -5.683) 6.523 21.191 ( -0.887 3.321 -1.401) 3.712 21.231 ( -9.239 -3.290 -8.953) 13.280 23.805 ( -0.028 0.116 -2.229) 2.232 23.966 ( -1.465 -0.764 -0.280) 1.676 24.293 ( 1.668 5.670 -7.527) 9.570 24.492 ( -0.434 4.970 -11.894) 12.898 24.751 ( -4.703 -0.376 -0.265) 4.725 24.984 ( -3.105 0.901 -1.152) 3.432 25.445 ( 3.439 0.403 -1.721) 3.867 25.502 ( 4.053 3.309 1.196) 5.367 25.759 ( 5.288 1.894 19.382) 20.180 25.820 ( -7.209 -0.155 11.942) 13.950 26.438 ( -3.042 0.855 0.712) 3.239 26.482 ( 1.842 8.130 5.814) 10.163 27.268 ( 5.249 4.356 -1.660) 7.020 27.732 ( -4.058 -0.434 -0.268) 4.090 27.961 ( -10.361 6.170 -5.110) 13.097 28.108 ( 0.493 3.971 -0.690) 4.061 28.802 ( -2.683 0.230 2.689) 3.805 29.114 ( -1.471 -4.937 8.076) 9.579 29.551 ( 2.822 5.985 -3.470) 7.471 29.605 ( 3.460 5.251 5.388) 8.281 29.707 ( -2.032 -0.272 -7.593) 7.865 29.966 ( -3.278 -2.611 1.090) 4.330 30.183 ( 8.775 -4.703 0.098) 9.957 30.385 ( 4.233 -6.562 -3.267) 8.465 31.447 ( 1.085 3.207 0.771) 3.472 31.630 ( 2.856 -3.587 0.345) 4.597 31.772 ( 3.280 -3.038 -1.271) 4.648 31.856 ( 0.483 -4.359 -1.582) 4.662 32.136 ( -4.409 1.151 1.504) 4.799 32.313 ( 1.811 1.835 1.919) 3.214 32.654 ( -9.879 -6.729 -0.428) 11.961 32.776 ( -7.412 -2.662 0.065) 7.876 33.239 ( 6.766 8.919 1.243) 11.264 33.610 ( 2.293 5.869 -6.111) 8.778 33.796 ( -0.820 3.136 -0.726) 3.322 33.950 ( -3.912 4.228 0.836) 5.821 34.101 ( -1.062 1.611 -1.564) 2.484 34.255 ( 3.098 2.488 2.523) 4.707 34.491 ( -0.675 -5.251 -0.794) 5.354 34.650 ( -1.603 -3.374 -0.178) 3.740 35.326 ( 5.826 11.713 -0.516) 13.092 35.486 ( 3.382 13.061 -1.985) 13.637 35.856 ( 1.654 -1.146 1.905) 2.771 36.251 ( -3.243 -3.974 -4.103) 6.569 91.024 ( -0.090 4.183 0.082) 4.185 91.078 ( -0.461 3.694 -0.262) 3.732 91.547 ( -0.675 -7.403 6.831) 10.096 91.602 ( 0.884 -6.996 5.002) 8.645 93.758 ( -0.491 6.047 -0.757) 6.114 93.776 ( 0.823 7.422 0.610) 7.492 94.172 ( -1.015 -2.682 2.794) 4.004 94.538 ( -3.871 -3.253 1.134) 5.182 94.865 ( 1.690 -3.201 3.580) 5.091 95.293 ( 9.243 -14.621 1.733) 17.384 95.624 ( 2.980 -11.147 13.717) 17.925 96.495 ( -11.664 -31.401 -8.938) 34.670 97.959 ( -0.764 2.903 1.346) 3.290 98.032 ( -1.744 1.183 1.155) 2.403 99.014 ( -2.579 9.277 -1.074) 9.688 99.251 ( -3.780 0.445 -1.007) 3.937 102.450 ( -0.224 1.389 -0.355) 1.451 102.459 ( 0.413 1.262 0.401) 1.387 102.829 ( 0.624 4.520 0.318) 4.574 102.953 ( -1.073 0.903 -0.875) 1.653 107.578 ( -0.106 0.179 -0.444) 0.490 107.599 ( 0.505 -0.178 0.243) 0.588 107.761 ( 1.377 -1.091 0.121) 1.761 107.807 ( 0.902 -1.938 -0.216) 2.149 ======================= Grid point 30 (19/126) ======================= q-point: ( 0.38 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 18.206 -2.038 6.411) 19.409 3.062 ( 13.660 15.456 -1.323) 20.669 3.409 ( 1.563 8.586 19.488) 21.353 3.654 ( -36.632 -15.479 13.083) 41.865 3.973 ( -31.844 2.608 6.290) 32.563 4.167 ( -23.351 20.611 11.594) 33.234 4.742 ( 3.157 9.201 -26.175) 27.924 5.264 ( -3.034 16.251 -16.876) 23.624 5.392 ( 16.542 47.743 -0.349) 50.529 5.676 ( 9.210 18.528 -8.090) 22.216 5.943 ( 19.002 13.639 1.134) 23.418 5.982 ( 1.611 32.459 0.063) 32.499 6.180 ( -1.352 19.574 2.566) 19.788 6.660 ( -0.204 -7.679 -5.907) 9.690 6.733 ( 0.619 -13.389 4.934) 14.283 6.908 ( -5.826 -12.575 -2.568) 14.095 7.031 ( 3.728 1.555 1.166) 4.204 7.225 ( 3.728 3.727 4.209) 6.746 7.300 ( 4.131 -0.080 -2.654) 4.910 7.593 ( -15.159 8.364 -3.891) 17.745 7.737 ( 2.594 -1.874 3.130) 4.477 7.910 ( 5.168 -0.319 0.678) 5.222 8.112 ( 3.574 -1.476 -1.175) 4.041 8.177 ( -10.116 7.795 0.064) 12.771 8.339 ( -1.518 -5.205 -5.280) 7.568 8.445 ( 16.772 -12.021 1.443) 20.685 8.587 ( -3.754 0.216 1.564) 4.072 8.622 ( 12.695 -1.304 -3.435) 13.216 8.726 ( 12.958 -1.183 4.628) 13.810 8.787 ( 4.588 -7.532 -0.542) 8.836 8.994 ( 22.473 -14.180 0.435) 26.576 9.315 ( -2.469 -10.621 1.120) 10.962 9.431 ( -3.815 -2.099 0.036) 4.355 9.692 ( -3.254 -6.934 0.981) 7.722 9.925 ( -32.750 -15.691 -1.004) 36.328 10.054 ( -2.504 -18.241 -0.451) 18.417 10.234 ( -4.784 -23.674 -1.955) 24.232 10.435 ( -16.182 -9.753 1.160) 18.930 10.588 ( -5.429 -21.542 0.127) 22.216 10.736 ( -4.432 -18.881 1.043) 19.423 10.980 ( 0.535 3.035 7.366) 7.985 11.087 ( -0.377 -10.366 -1.524) 10.484 11.167 ( -2.158 -9.842 1.889) 10.251 11.267 ( 1.986 4.392 -4.761) 6.776 11.480 ( -3.006 -7.206 5.998) 9.846 11.658 ( 1.493 -0.662 2.082) 2.646 11.726 ( 7.974 3.568 -2.562) 9.104 11.831 ( 5.655 10.729 -0.101) 12.129 12.032 ( 13.058 9.809 4.774) 17.015 12.142 ( 7.693 -1.526 0.224) 7.846 12.195 ( 3.146 6.888 4.516) 8.817 12.258 ( 1.918 2.254 -1.642) 3.385 12.429 ( -1.598 6.617 2.191) 7.151 12.505 ( -6.620 6.209 1.167) 9.151 12.599 ( -2.868 3.146 -12.399) 13.110 12.784 ( -5.271 12.116 0.140) 13.213 13.160 ( -7.867 14.005 -1.844) 16.169 13.291 ( 9.549 15.409 -0.606) 18.138 13.440 ( 10.613 3.561 1.919) 11.358 13.654 ( -2.071 16.325 -5.271) 17.279 13.707 ( -2.033 9.215 2.867) 9.863 13.957 ( -3.490 6.365 -4.440) 8.509 14.129 ( 0.284 4.211 -3.106) 5.241 14.315 ( 5.668 -2.169 -3.362) 6.938 14.465 ( -7.150 3.257 -3.172) 8.474 14.558 ( -5.193 -3.360 -0.197) 6.189 14.635 ( -6.127 -3.544 1.520) 7.239 14.910 ( 1.128 6.542 1.474) 6.801 14.957 ( 0.871 1.691 0.109) 1.906 15.163 ( -2.213 1.250 -3.108) 4.015 15.330 ( 3.700 -2.933 1.577) 4.977 15.564 ( 6.784 -5.919 3.572) 9.686 15.704 ( -6.979 0.192 -0.651) 7.012 15.808 ( -2.525 0.094 -1.852) 3.132 15.891 ( -3.788 -4.837 5.203) 8.050 15.895 ( -2.441 4.283 -4.321) 6.556 16.121 ( 0.660 0.341 -0.996) 1.242 16.209 ( 0.803 -0.637 -3.098) 3.263 16.300 ( 1.470 -3.994 5.049) 6.604 16.433 ( -0.105 -10.810 1.351) 10.895 16.762 ( 4.621 -7.764 -2.737) 9.440 16.822 ( -1.884 -4.542 5.580) 7.438 17.005 ( 5.517 -2.312 0.379) 5.994 17.520 ( 7.410 -8.813 -0.148) 11.515 17.623 ( 0.386 -1.630 -0.076) 1.677 17.852 ( 0.188 -3.509 0.550) 3.557 17.982 ( 1.778 -9.253 5.429) 10.874 18.201 ( 0.872 -11.724 9.897) 15.367 18.655 ( 0.777 3.706 -0.039) 3.787 18.754 ( 0.913 1.404 -3.522) 3.900 18.960 ( -0.225 8.435 -2.742) 8.872 19.184 ( 0.077 5.420 1.183) 5.548 19.507 ( 1.956 1.702 2.627) 3.691 19.568 ( 0.504 -1.131 3.726) 3.927 20.002 ( -2.721 -7.061 -3.307) 8.258 20.074 ( -0.717 -13.298 -1.126) 13.365 20.675 ( -7.463 2.552 -12.139) 14.476 20.886 ( -6.698 4.581 -9.406) 12.423 21.219 ( 3.482 -8.648 2.364) 9.618 21.295 ( 4.622 2.188 2.572) 5.724 23.780 ( -0.146 0.747 -1.465) 1.651 23.928 ( -1.649 1.701 -1.222) 2.666 24.233 ( 0.684 5.994 -5.379) 8.083 24.372 ( 0.508 2.633 -6.131) 6.692 24.714 ( -1.343 1.907 1.607) 2.833 24.924 ( -4.206 4.473 0.022) 6.140 25.466 ( 3.945 0.249 -1.126) 4.110 25.571 ( 3.159 3.538 -0.168) 4.746 25.733 ( -8.249 4.351 1.411) 9.432 25.992 ( -3.721 -3.166 4.675) 6.762 26.530 ( 5.325 -0.712 15.799) 16.688 26.653 ( 6.986 7.923 8.012) 13.258 27.343 ( 4.313 4.222 0.439) 6.051 27.497 ( -10.398 1.418 -17.428) 20.344 27.849 ( -5.967 8.109 7.228) 12.393 28.097 ( 0.824 5.929 -4.559) 7.525 28.877 ( 0.956 -1.979 8.351) 8.635 29.174 ( -2.247 -5.442 6.691) 8.913 29.495 ( -0.411 2.671 -9.232) 9.619 29.600 ( 1.325 2.017 -2.750) 3.658 29.730 ( 3.449 2.540 1.382) 4.501 29.904 ( -3.843 0.462 0.268) 3.880 30.341 ( 5.664 -5.319 1.254) 7.871 30.397 ( 3.689 -8.815 -0.337) 9.562 31.486 ( 2.558 3.797 0.508) 4.606 31.668 ( 3.174 -2.555 -0.736) 4.141 31.779 ( -1.218 -0.869 -0.703) 1.653 31.842 ( -0.434 -4.739 -0.833) 4.831 32.102 ( -1.159 1.305 0.688) 1.876 32.368 ( 3.708 -0.319 -0.016) 3.722 32.512 ( -9.309 -4.567 0.707) 10.393 32.682 ( -5.307 -4.023 0.128) 6.660 33.354 ( 5.875 7.128 1.702) 9.392 33.570 ( 0.248 5.358 -2.789) 6.046 33.760 ( -1.361 5.195 -2.416) 5.889 33.911 ( -2.556 6.236 0.939) 6.805 34.068 ( -0.795 0.768 -1.080) 1.545 34.326 ( 2.188 2.855 1.969) 4.101 34.464 ( -0.902 -5.608 -1.307) 5.829 34.633 ( -0.498 -2.894 -0.051) 2.937 35.394 ( 3.748 9.604 -0.204) 10.312 35.512 ( 2.617 13.056 -1.047) 13.357 35.894 ( 0.771 -1.766 1.007) 2.174 36.159 ( -2.455 -2.872 -3.078) 4.873 91.011 ( -0.668 4.677 -0.729) 4.780 91.087 ( 0.459 3.853 0.962) 3.998 91.604 ( -0.666 -7.505 3.679) 8.385 91.672 ( 0.754 -8.793 3.662) 9.555 93.737 ( -0.449 6.446 -0.759) 6.506 93.806 ( 0.981 7.332 1.093) 7.478 94.187 ( -0.986 -2.869 1.820) 3.538 94.489 ( -2.263 0.309 -0.880) 2.448 95.009 ( 3.655 -10.523 12.342) 16.626 95.382 ( 7.658 -21.489 -8.867) 24.476 95.806 ( -1.932 -14.329 13.212) 19.586 96.197 ( -10.303 -22.319 -9.983) 26.532 97.968 ( -0.656 3.049 1.545) 3.481 98.022 ( -0.916 1.876 0.248) 2.102 98.988 ( 0.401 9.635 -0.653) 9.666 99.170 ( -4.786 3.181 -1.028) 5.838 102.443 ( -0.150 1.536 -0.265) 1.566 102.469 ( 0.237 1.132 0.327) 1.202 102.848 ( 1.799 3.880 -0.193) 4.281 102.924 ( -1.895 1.633 -0.162) 2.507 107.572 ( -0.070 0.312 -0.301) 0.439 107.607 ( 0.300 -0.273 0.158) 0.435 107.779 ( 0.851 -1.509 0.026) 1.733 107.817 ( 0.677 -2.291 -0.101) 2.391 ======================= Grid point 31 (20/126) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.926 ( 0.000 -20.363 0.000) 20.363 3.040 ( -0.000 -10.161 -0.000) 10.161 3.286 ( 0.000 9.003 0.000) 9.003 3.499 ( -0.000 3.283 0.000) 3.283 3.945 ( 0.000 6.723 0.000) 6.723 4.123 ( -0.000 24.529 0.000) 24.529 4.543 ( 0.000 11.172 0.000) 11.172 5.035 ( 0.000 13.923 -0.000) 13.923 5.549 ( 0.000 46.139 0.000) 46.139 5.681 ( 0.000 5.350 0.000) 5.350 6.024 ( 0.000 33.842 0.000) 33.842 6.132 ( -0.000 32.051 0.000) 32.051 6.181 ( 0.000 24.551 0.000) 24.551 6.592 ( -0.000 -12.242 0.000) 12.242 6.792 ( 0.000 -11.793 0.000) 11.793 6.811 ( -0.000 -13.704 -0.000) 13.704 7.184 ( 0.000 3.104 0.000) 3.104 7.216 ( -0.000 7.350 0.000) 7.350 7.305 ( 0.000 5.512 -0.000) 5.512 7.428 ( -0.000 3.940 0.000) 3.940 7.824 ( -0.000 2.733 -0.000) 2.733 7.852 ( 0.000 -0.685 0.000) 0.685 8.119 ( -0.000 3.680 0.000) 3.680 8.162 ( 0.000 -1.096 0.000) 1.096 8.261 ( 0.000 -2.407 0.000) 2.407 8.526 ( -0.000 1.125 0.000) 1.125 8.561 ( -0.000 -8.963 0.000) 8.963 8.674 ( 0.000 5.400 0.000) 5.400 8.763 ( 0.000 -3.349 0.000) 3.349 9.190 ( 0.000 -17.076 0.000) 17.076 9.284 ( -0.000 -13.739 -0.000) 13.739 9.319 ( 0.000 -12.914 0.000) 12.914 9.355 ( -0.000 -6.896 0.000) 6.896 9.434 ( 0.000 -16.375 0.000) 16.375 9.707 ( -0.000 -5.857 0.000) 5.857 9.926 ( 0.000 -16.515 0.000) 16.515 10.192 ( 0.000 -18.854 0.000) 18.854 10.352 ( 0.000 -12.088 0.000) 12.088 10.546 ( 0.000 -28.997 0.000) 28.997 10.713 ( 0.000 -25.098 0.000) 25.098 11.038 ( 0.000 4.062 -0.000) 4.062 11.073 ( 0.000 -9.929 0.000) 9.929 11.175 ( -0.000 -7.497 0.000) 7.497 11.241 ( 0.000 3.231 0.000) 3.231 11.493 ( 0.000 -3.154 0.000) 3.154 11.665 ( 0.000 -1.586 0.000) 1.586 11.787 ( 0.000 -0.123 0.000) 0.123 11.892 ( 0.000 15.088 0.000) 15.088 12.136 ( -0.000 7.873 0.000) 7.873 12.186 ( 0.000 -9.553 0.000) 9.553 12.279 ( -0.000 -0.168 -0.000) 0.168 12.332 ( 0.000 9.290 0.000) 9.290 12.385 ( -0.000 4.485 0.000) 4.485 12.476 ( -0.000 1.743 0.000) 1.743 12.527 ( 0.000 21.235 0.000) 21.235 12.665 ( 0.000 12.394 -0.000) 12.394 13.065 ( -0.000 15.619 0.000) 15.619 13.433 ( 0.000 16.167 0.000) 16.167 13.515 ( -0.000 21.115 0.000) 21.115 13.664 ( -0.000 9.476 0.000) 9.476 13.707 ( 0.000 -5.723 0.000) 5.723 13.782 ( -0.000 5.242 -0.000) 5.242 14.159 ( 0.000 10.645 0.000) 10.645 14.356 ( 0.000 -2.523 0.000) 2.523 14.357 ( -0.000 0.060 -0.000) 0.060 14.524 ( 0.000 -4.395 0.000) 4.395 14.592 ( 0.000 -2.411 0.000) 2.411 14.911 ( 0.000 6.716 0.000) 6.716 14.996 ( 0.000 0.051 0.000) 0.051 15.096 ( 0.000 0.391 0.000) 0.391 15.465 ( 0.000 3.492 0.000) 3.492 15.530 ( 0.000 -0.430 0.000) 0.430 15.683 ( 0.000 -11.194 0.000) 11.194 15.734 ( -0.000 2.638 0.000) 2.638 15.869 ( 0.000 4.400 0.000) 4.400 15.915 ( 0.000 -3.285 0.000) 3.285 16.122 ( 0.000 -0.760 0.000) 0.760 16.184 ( 0.000 -2.930 0.000) 2.930 16.352 ( 0.000 -7.248 0.000) 7.248 16.442 ( 0.000 -8.617 0.000) 8.617 16.786 ( 0.000 -7.343 0.000) 7.343 16.834 ( 0.000 -4.989 0.000) 4.989 17.051 ( 0.000 -2.079 0.000) 2.079 17.558 ( 0.000 -10.739 0.000) 10.739 17.619 ( -0.000 -1.568 0.000) 1.568 17.865 ( 0.000 -1.689 0.000) 1.689 18.036 ( 0.000 -7.639 0.000) 7.639 18.296 ( 0.000 -16.828 0.000) 16.828 18.669 ( 0.000 2.359 0.000) 2.359 18.726 ( 0.000 0.508 -0.000) 0.508 18.944 ( 0.000 8.611 0.000) 8.611 19.188 ( 0.000 5.237 0.000) 5.237 19.546 ( 0.000 3.098 0.000) 3.098 19.623 ( 0.000 -0.057 0.000) 0.057 19.911 ( 0.000 -3.618 0.000) 3.618 20.057 ( 0.000 -14.873 0.000) 14.873 20.539 ( 0.000 4.078 0.000) 4.078 20.774 ( 0.000 8.325 0.000) 8.325 21.269 ( 0.000 -12.518 0.000) 12.518 21.343 ( 0.000 1.791 -0.000) 1.791 23.768 ( 0.000 1.655 0.000) 1.655 23.906 ( 0.000 2.255 0.000) 2.255 24.196 ( 0.000 6.896 0.000) 6.896 24.341 ( 0.000 0.487 0.000) 0.487 24.727 ( 0.000 3.458 -0.000) 3.458 24.884 ( 0.000 6.322 0.000) 6.322 25.516 ( 0.000 1.279 -0.000) 1.279 25.568 ( 0.000 2.341 0.000) 2.341 25.674 ( 0.000 5.276 0.000) 5.276 25.965 ( 0.000 -2.550 0.000) 2.550 26.651 ( 0.000 1.240 0.000) 1.240 27.016 ( -0.000 -4.195 -0.000) 4.195 27.065 ( 0.000 7.191 0.000) 7.191 27.399 ( -0.000 7.015 0.000) 7.015 27.883 ( 0.000 7.262 0.000) 7.262 28.052 ( 0.000 8.181 0.000) 8.181 28.952 ( 0.000 -2.919 0.000) 2.919 29.214 ( 0.000 -5.381 0.000) 5.381 29.402 ( 0.000 2.152 0.000) 2.152 29.608 ( 0.000 2.561 0.000) 2.561 29.743 ( -0.000 -3.771 0.000) 3.771 29.892 ( -0.000 5.584 0.000) 5.584 30.352 ( 0.000 -7.581 0.000) 7.581 30.462 ( 0.000 -7.812 0.000) 7.812 31.512 ( 0.000 3.896 0.000) 3.896 31.706 ( 0.000 -4.295 0.000) 4.295 31.738 ( 0.000 3.965 0.000) 3.965 31.831 ( 0.000 -5.356 0.000) 5.356 32.108 ( 0.000 1.014 0.000) 1.014 32.415 ( -0.000 -7.148 0.000) 7.148 32.424 ( 0.000 2.090 -0.000) 2.090 32.641 ( 0.000 -4.899 0.000) 4.899 33.418 ( -0.000 5.475 0.000) 5.475 33.552 ( 0.000 5.586 0.000) 5.586 33.724 ( 0.000 6.882 0.000) 6.882 33.899 ( 0.000 6.339 0.000) 6.339 34.056 ( 0.000 0.812 0.000) 0.812 34.357 ( 0.000 3.545 0.000) 3.545 34.445 ( 0.000 -6.354 0.000) 6.354 34.630 ( 0.000 -2.962 0.000) 2.962 35.421 ( 0.000 9.054 0.000) 9.054 35.526 ( 0.000 12.923 0.000) 12.923 35.904 ( 0.000 -2.055 0.000) 2.055 36.120 ( 0.000 -2.247 0.000) 2.247 91.000 ( 0.000 4.875 0.000) 4.875 91.099 ( 0.000 3.886 0.000) 3.886 91.622 ( 0.000 -7.383 0.000) 7.383 91.703 ( 0.000 -9.605 0.000) 9.605 93.729 ( 0.000 6.349 0.000) 6.349 93.821 ( 0.000 7.506 0.000) 7.506 94.191 ( 0.000 -3.035 0.000) 3.035 94.466 ( 0.000 1.218 0.000) 1.218 95.206 ( -0.000 -15.423 -0.000) 15.423 95.299 ( 0.000 -23.619 0.000) 23.619 95.887 ( 0.000 -14.583 -0.000) 14.583 96.036 ( 0.000 -16.798 0.000) 16.798 97.975 ( 0.000 3.076 0.000) 3.076 98.015 ( 0.000 2.165 0.000) 2.165 98.994 ( 0.000 9.228 0.000) 9.228 99.120 ( 0.000 4.823 -0.000) 4.823 102.440 ( 0.000 1.581 0.000) 1.581 102.473 ( 0.000 1.094 0.000) 1.094 102.866 ( 0.000 3.297 0.000) 3.297 102.903 ( -0.000 2.181 0.000) 2.181 107.569 ( 0.000 0.365 0.000) 0.365 107.611 ( 0.000 -0.301 0.000) 0.301 107.785 ( 0.000 -1.619 0.000) 1.619 107.821 ( 0.000 -2.467 0.000) 2.467 ======================= Grid point 36 (21/126) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( 0.000 39.868 0.000) 39.868 3.838 ( 0.000 42.717 0.000) 42.717 3.866 ( 0.000 9.605 0.000) 9.605 4.329 ( 0.000 -6.747 0.000) 6.747 4.889 ( 0.000 27.381 0.000) 27.381 4.946 ( 0.000 8.830 0.000) 8.830 5.260 ( 0.000 30.436 0.000) 30.436 5.478 ( 0.000 -11.171 0.000) 11.171 5.521 ( 0.000 -36.370 0.000) 36.370 5.794 ( 0.000 -7.768 0.000) 7.768 5.916 ( 0.000 -23.306 0.000) 23.306 5.994 ( 0.000 2.552 0.000) 2.552 6.396 ( 0.000 -4.138 0.000) 4.138 6.461 ( 0.000 -20.104 0.000) 20.104 6.521 ( 0.000 6.978 0.000) 6.978 6.733 ( 0.000 21.842 0.000) 21.842 6.885 ( 0.000 -1.162 0.000) 1.162 6.905 ( 0.000 7.425 0.000) 7.425 7.017 ( 0.000 19.218 0.000) 19.218 7.233 ( 0.000 18.713 0.000) 18.713 7.380 ( 0.000 15.500 0.000) 15.500 7.649 ( 0.000 0.718 0.000) 0.718 7.995 ( 0.000 -0.972 0.000) 0.972 8.221 ( 0.000 -1.471 0.000) 1.471 8.266 ( 0.000 -1.995 0.000) 1.995 8.306 ( 0.000 2.455 0.000) 2.455 8.469 ( 0.000 -1.247 0.000) 1.247 8.614 ( 0.000 4.499 0.000) 4.499 8.756 ( 0.000 -14.957 0.000) 14.957 8.871 ( 0.000 -13.215 0.000) 13.215 9.128 ( 0.000 4.221 0.000) 4.221 9.258 ( 0.000 2.380 0.000) 2.380 9.364 ( 0.000 -25.302 0.000) 25.302 9.497 ( 0.000 -10.161 0.000) 10.161 9.498 ( 0.000 -27.728 0.000) 27.728 9.512 ( 0.000 -13.326 0.000) 13.326 10.648 ( 0.000 0.159 0.000) 0.159 10.769 ( 0.000 4.895 0.000) 4.895 10.847 ( 0.000 -1.230 0.000) 1.230 10.863 ( 0.000 -5.901 0.000) 5.901 10.932 ( 0.000 -1.651 0.000) 1.651 11.069 ( 0.000 -4.552 0.000) 4.552 11.214 ( 0.000 -0.981 0.000) 0.981 11.243 ( 0.000 0.592 0.000) 0.592 11.418 ( 0.000 8.482 0.000) 8.482 11.507 ( 0.000 3.670 0.000) 3.670 11.527 ( 0.000 -6.532 0.000) 6.532 11.576 ( 0.000 -9.480 0.000) 9.480 11.815 ( 0.000 10.435 0.000) 10.435 12.085 ( 0.000 -2.509 0.000) 2.509 12.127 ( 0.000 -2.581 0.000) 2.581 12.160 ( 0.000 -6.024 0.000) 6.024 12.371 ( 0.000 15.034 0.000) 15.034 12.514 ( 0.000 18.988 0.000) 18.988 12.856 ( 0.000 -7.755 0.000) 7.755 13.043 ( 0.000 -6.521 0.000) 6.521 13.372 ( 0.000 10.086 0.000) 10.086 13.416 ( 0.000 5.621 0.000) 5.621 13.731 ( 0.000 14.211 0.000) 14.211 13.859 ( 0.000 5.232 0.000) 5.232 13.934 ( 0.000 10.106 0.000) 10.106 13.962 ( 0.000 6.520 0.000) 6.520 14.243 ( 0.000 -5.348 0.000) 5.348 14.448 ( 0.000 -8.757 0.000) 8.757 14.642 ( 0.000 -0.232 0.000) 0.232 14.652 ( 0.000 -1.537 0.000) 1.537 14.756 ( 0.000 2.272 0.000) 2.272 14.893 ( 0.000 -4.348 0.000) 4.348 15.123 ( 0.000 2.417 0.000) 2.417 15.155 ( 0.000 3.173 0.000) 3.173 15.444 ( 0.000 5.494 0.000) 5.494 15.614 ( 0.000 -4.606 0.000) 4.606 15.667 ( 0.000 -0.553 0.000) 0.553 15.691 ( 0.000 -9.714 0.000) 9.714 15.804 ( 0.000 7.544 0.000) 7.544 16.087 ( 0.000 -4.314 0.000) 4.314 16.093 ( 0.000 -2.189 0.000) 2.189 16.114 ( 0.000 0.218 0.000) 0.218 16.310 ( 0.000 7.560 0.000) 7.560 16.473 ( 0.000 6.664 0.000) 6.664 16.685 ( 0.000 -1.012 0.000) 1.012 16.700 ( 0.000 -5.709 0.000) 5.709 16.902 ( 0.000 8.430 0.000) 8.430 16.927 ( 0.000 -3.878 0.000) 3.878 17.128 ( 0.000 -16.443 0.000) 16.443 17.491 ( 0.000 -13.862 0.000) 13.862 17.648 ( 0.000 2.913 0.000) 2.913 18.042 ( 0.000 -15.006 0.000) 15.006 18.790 ( 0.000 6.808 0.000) 6.808 18.856 ( 0.000 4.004 0.000) 4.004 19.228 ( 0.000 4.563 0.000) 4.563 19.345 ( 0.000 -2.549 0.000) 2.549 19.525 ( 0.000 0.968 0.000) 0.968 19.575 ( 0.000 -0.069 0.000) 0.069 19.625 ( 0.000 0.067 0.000) 0.067 19.787 ( 0.000 -10.811 0.000) 10.811 20.815 ( 0.000 8.262 0.000) 8.262 21.296 ( 0.000 -11.770 0.000) 11.770 21.334 ( 0.000 2.176 0.000) 2.176 21.444 ( 0.000 1.145 0.000) 1.145 23.847 ( 0.000 -0.620 0.000) 0.620 23.906 ( 0.000 -0.525 0.000) 0.525 24.651 ( 0.000 5.855 0.000) 5.855 24.829 ( 0.000 4.705 0.000) 4.705 24.857 ( 0.000 -2.550 0.000) 2.550 25.023 ( 0.000 5.393 0.000) 5.393 25.214 ( 0.000 -5.350 0.000) 5.350 25.331 ( 0.000 -3.755 0.000) 3.755 25.465 ( 0.000 8.715 0.000) 8.715 25.692 ( 0.000 -2.429 0.000) 2.429 26.574 ( 0.000 5.177 0.000) 5.177 26.638 ( 0.000 2.796 0.000) 2.796 27.271 ( 0.000 1.811 0.000) 1.811 27.441 ( 0.000 -4.860 0.000) 4.860 28.383 ( 0.000 4.663 0.000) 4.663 28.437 ( 0.000 2.073 0.000) 2.073 28.836 ( 0.000 1.243 0.000) 1.243 28.893 ( 0.000 -2.004 0.000) 2.004 29.495 ( 0.000 3.671 0.000) 3.671 29.531 ( 0.000 0.750 0.000) 0.750 29.860 ( 0.000 -2.728 0.000) 2.728 29.873 ( 0.000 -3.598 0.000) 3.598 30.167 ( 0.000 -0.555 0.000) 0.555 30.237 ( 0.000 -2.328 0.000) 2.328 31.441 ( 0.000 0.458 0.000) 0.458 31.506 ( 0.000 -2.249 0.000) 2.249 31.677 ( 0.000 -1.303 0.000) 1.303 31.766 ( 0.000 -5.779 0.000) 5.779 32.232 ( 0.000 7.033 0.000) 7.033 32.431 ( 0.000 9.450 0.000) 9.450 32.631 ( 0.000 -11.155 0.000) 11.155 32.791 ( 0.000 -7.648 0.000) 7.648 33.382 ( 0.000 13.495 0.000) 13.495 33.793 ( 0.000 -5.442 0.000) 5.442 33.819 ( 0.000 7.065 0.000) 7.065 33.961 ( 0.000 -1.008 0.000) 1.008 34.166 ( 0.000 5.673 0.000) 5.673 34.296 ( 0.000 3.449 0.000) 3.449 34.414 ( 0.000 -4.114 0.000) 4.114 34.519 ( 0.000 -9.095 0.000) 9.095 35.514 ( 0.000 11.584 0.000) 11.584 35.735 ( 0.000 14.051 0.000) 14.051 35.766 ( 0.000 -2.328 0.000) 2.328 36.229 ( 0.000 -8.978 0.000) 8.978 91.099 ( 0.000 4.930 0.000) 4.930 91.187 ( 0.000 4.340 0.000) 4.340 91.312 ( 0.000 -5.266 0.000) 5.266 91.401 ( 0.000 -5.716 0.000) 5.716 93.849 ( 0.000 5.977 0.000) 5.977 93.978 ( 0.000 9.457 0.000) 9.457 94.069 ( 0.000 -4.288 0.000) 4.288 94.365 ( 0.000 -9.410 0.000) 9.410 94.996 ( 0.000 0.469 0.000) 0.469 95.028 ( 0.000 3.286 0.000) 3.286 95.262 ( 0.000 3.744 0.000) 3.744 96.073 ( 0.000 -32.816 0.000) 32.816 98.004 ( 0.000 2.034 0.000) 2.034 98.046 ( 0.000 -0.171 0.000) 0.171 99.223 ( 0.000 3.808 0.000) 3.808 99.288 ( 0.000 0.010 0.000) 0.010 102.467 ( 0.000 1.062 0.000) 1.062 102.480 ( 0.000 0.475 0.000) 0.475 102.900 ( 0.000 3.380 0.000) 3.380 102.979 ( 0.000 -0.753 0.000) 0.753 107.584 ( 0.000 0.088 0.000) 0.088 107.588 ( 0.000 -0.095 0.000) 0.095 107.734 ( 0.000 0.410 0.000) 0.410 107.767 ( 0.000 -1.249 0.000) 1.249 ======================= Grid point 37 (22/126) ======================= q-point: ( 0.12 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( -4.122 34.353 13.367) 37.092 3.496 ( -30.834 33.826 4.509) 45.992 3.768 ( -16.007 12.390 -0.350) 20.245 4.189 ( -24.065 -5.009 3.920) 24.892 4.712 ( -37.088 -25.962 1.134) 45.287 5.030 ( -5.740 7.699 -2.039) 9.817 5.210 ( 26.784 26.389 -2.525) 37.685 5.274 ( -30.353 -8.112 0.510) 31.422 5.572 ( 29.817 26.820 1.803) 40.145 5.839 ( 2.691 11.717 -8.036) 14.460 6.080 ( 21.901 -16.694 2.402) 27.642 6.286 ( -1.916 -5.959 -11.499) 13.092 6.421 ( 7.875 -20.560 7.444) 23.241 6.507 ( 9.061 -1.888 -0.709) 9.283 6.608 ( 9.206 13.063 2.085) 16.116 6.780 ( 20.906 -3.405 -1.476) 21.233 6.846 ( 0.948 -2.397 1.108) 2.805 6.961 ( 5.399 14.358 -0.178) 15.341 7.121 ( 11.066 18.732 -2.504) 21.900 7.175 ( 1.266 11.916 -5.962) 13.384 7.461 ( 4.679 11.009 -0.115) 11.962 7.702 ( 8.500 5.596 1.828) 10.340 8.011 ( 3.545 -2.466 -1.723) 4.649 8.164 ( -0.603 5.936 -8.927) 10.737 8.262 ( 1.415 -6.955 -0.174) 7.099 8.350 ( 1.390 0.935 3.899) 4.244 8.453 ( -2.855 -1.164 1.293) 3.343 8.594 ( 1.464 1.283 -4.608) 5.002 8.658 ( -8.788 -11.221 -0.667) 14.268 8.878 ( -2.430 -6.996 0.584) 7.429 9.058 ( -8.534 -0.339 1.031) 8.602 9.245 ( 0.217 -6.463 -3.407) 7.309 9.394 ( -1.161 -24.413 1.498) 24.487 9.444 ( -2.231 -14.314 3.223) 14.841 9.513 ( -0.256 -10.143 1.164) 10.213 9.603 ( 4.217 -19.526 3.679) 20.313 10.521 ( -21.579 -2.419 0.731) 21.726 10.664 ( -10.435 0.595 2.027) 10.647 10.783 ( -15.281 -6.804 3.868) 17.169 10.830 ( -7.679 -5.876 1.724) 9.822 10.948 ( -1.932 -0.687 1.402) 2.484 11.020 ( -2.149 -0.175 1.411) 2.577 11.124 ( -4.018 -0.818 -0.235) 4.108 11.247 ( -4.302 -3.261 -0.506) 5.422 11.408 ( 4.701 1.119 -1.269) 4.996 11.453 ( -6.400 -6.450 0.977) 9.139 11.674 ( 9.892 5.089 3.516) 11.667 11.680 ( 11.742 5.000 1.234) 12.822 11.859 ( 5.172 8.352 -0.269) 9.828 12.050 ( -2.160 2.325 1.967) 3.734 12.125 ( 0.617 -1.359 -1.522) 2.131 12.266 ( 13.931 -5.145 -2.598) 15.076 12.387 ( 3.101 10.813 1.450) 11.342 12.619 ( 9.146 14.263 0.784) 16.962 12.798 ( -5.379 -5.995 -1.490) 8.191 12.972 ( -2.375 -2.939 -7.803) 8.670 13.344 ( -3.506 7.153 0.351) 7.974 13.445 ( 5.362 3.379 -1.294) 6.469 13.697 ( 1.127 14.336 -5.535) 15.408 13.848 ( -1.719 6.642 -0.002) 6.861 13.916 ( 1.050 10.597 -0.196) 10.651 14.077 ( 6.370 7.096 3.793) 10.262 14.232 ( -0.373 -3.431 -0.884) 3.563 14.443 ( 1.930 -8.219 -3.977) 9.333 14.604 ( -3.570 -0.199 -2.302) 4.253 14.642 ( -0.182 -1.525 -0.264) 1.558 14.784 ( -0.042 2.020 1.375) 2.444 14.882 ( -3.889 -1.845 4.358) 6.126 15.068 ( -6.785 1.251 -2.739) 7.423 15.185 ( 5.726 1.326 0.673) 5.916 15.360 ( -2.477 4.912 -3.433) 6.484 15.577 ( -5.715 0.441 -6.141) 8.401 15.604 ( 1.123 -3.733 -2.694) 4.738 15.743 ( 1.716 -4.945 -1.870) 5.558 15.858 ( -0.701 1.927 8.113) 8.368 16.045 ( -1.642 -5.952 0.900) 6.240 16.114 ( 4.332 -2.947 -1.426) 5.430 16.137 ( 4.512 -0.170 -3.006) 5.425 16.305 ( -0.471 6.751 -0.920) 6.830 16.489 ( -6.354 6.717 5.357) 10.685 16.573 ( -3.526 -3.775 -6.275) 8.127 16.710 ( -2.567 -1.600 1.700) 3.470 16.806 ( -0.960 -2.595 0.829) 2.888 17.098 ( 7.665 -3.393 2.467) 8.738 17.238 ( 5.135 -8.864 12.804) 16.397 17.560 ( 3.389 -8.591 1.681) 9.387 17.687 ( 2.639 -1.302 4.913) 5.727 18.003 ( -3.806 -13.543 -1.177) 14.117 18.788 ( -0.021 5.454 -0.872) 5.523 18.842 ( -1.083 3.757 -0.478) 3.939 19.239 ( 1.594 3.971 -0.706) 4.337 19.271 ( -4.116 1.393 -5.179) 6.761 19.457 ( -0.742 -0.277 -1.037) 1.305 19.515 ( -2.951 -1.506 -2.684) 4.264 19.763 ( 5.629 -2.134 5.425) 8.104 19.848 ( 2.849 -8.138 3.241) 9.211 20.872 ( 6.163 5.583 0.442) 8.328 21.209 ( -2.376 -10.321 -10.321) 14.788 21.301 ( -1.598 4.538 -2.428) 5.389 21.387 ( -4.685 0.533 -3.467) 5.852 23.836 ( 0.165 0.825 -1.273) 1.526 23.927 ( 0.968 -1.651 1.135) 2.225 24.528 ( -3.644 5.838 -8.137) 10.657 24.706 ( -4.014 -1.612 -10.466) 11.325 24.844 ( 1.377 4.210 -3.152) 5.436 25.011 ( 0.072 -2.166 -6.079) 6.454 25.349 ( 7.316 1.871 9.465) 12.108 25.463 ( 2.129 -2.944 10.504) 11.115 25.530 ( 0.685 7.184 8.714) 11.314 25.721 ( -0.704 -2.250 8.573) 8.891 26.528 ( -5.061 5.229 1.264) 7.387 26.609 ( -5.366 1.675 0.903) 5.693 27.306 ( 6.129 4.725 -1.348) 7.856 27.552 ( 7.059 -5.635 6.192) 10.951 28.269 ( -8.277 3.510 -5.935) 10.773 28.294 ( -8.065 2.779 -6.241) 10.570 28.867 ( -2.299 1.370 1.466) 3.051 28.953 ( -0.064 -2.419 7.180) 7.577 29.564 ( 5.734 4.481 3.803) 8.211 29.585 ( 4.921 2.120 2.575) 5.945 29.814 ( -1.891 -1.954 -4.591) 5.335 29.867 ( 0.905 -4.513 -0.920) 4.694 30.122 ( -1.757 0.157 -2.971) 3.455 30.253 ( 2.362 -4.643 -2.057) 5.601 31.460 ( 1.840 1.190 0.775) 2.324 31.527 ( 1.920 -2.104 0.878) 2.981 31.684 ( 2.521 -1.835 -1.639) 3.523 31.769 ( 0.423 -5.233 -0.166) 5.252 32.225 ( -1.623 6.063 0.594) 6.304 32.409 ( -1.728 7.419 -1.225) 7.715 32.600 ( -4.930 -9.056 1.210) 10.382 32.758 ( -4.170 -7.157 -0.129) 8.284 33.406 ( 2.207 13.223 1.114) 13.452 33.760 ( -1.449 0.327 -2.271) 2.713 33.837 ( 1.952 2.745 -0.335) 3.385 33.965 ( 0.431 -1.534 0.281) 1.618 34.183 ( 0.471 4.417 0.230) 4.448 34.272 ( -0.891 2.892 -0.635) 3.092 34.409 ( -0.873 -3.820 0.336) 3.933 34.539 ( 0.660 -7.519 1.544) 7.704 35.524 ( 1.943 11.194 -0.657) 11.380 35.725 ( -1.247 10.996 0.881) 11.102 35.790 ( 3.477 -0.155 -1.295) 3.713 36.204 ( -1.300 -8.538 -2.418) 8.969 91.108 ( 0.341 5.238 1.005) 5.344 91.179 ( -0.761 4.616 -0.256) 4.686 91.341 ( 0.418 -5.910 3.673) 6.971 91.415 ( 0.120 -6.338 2.075) 6.670 93.863 ( 0.589 6.146 1.208) 6.292 93.967 ( -0.661 9.695 -0.719) 9.744 94.082 ( 0.030 -4.127 1.805) 4.505 94.376 ( -0.718 -9.860 2.550) 10.209 94.926 ( -0.316 3.437 -6.788) 7.615 95.059 ( 3.256 -1.926 -1.229) 3.978 95.340 ( 1.618 1.830 8.564) 8.905 96.034 ( -3.696 -30.464 -1.730) 30.736 98.006 ( -0.457 2.115 0.852) 2.325 98.047 ( -0.865 -0.002 1.185) 1.467 99.199 ( -1.806 4.523 -1.023) 4.977 99.283 ( -0.337 -0.335 -0.692) 0.839 102.470 ( 0.245 0.955 0.179) 1.002 102.478 ( -0.052 0.597 -0.174) 0.624 102.902 ( -0.102 3.282 0.302) 3.298 102.974 ( -0.208 -0.541 -0.503) 0.767 107.585 ( 0.092 0.070 -0.127) 0.172 107.588 ( 0.203 -0.075 0.023) 0.218 107.738 ( 0.503 0.223 0.110) 0.561 107.768 ( 0.332 -1.271 -0.089) 1.317 ======================= Grid point 38 (23/126) ======================= q-point: ( 0.25 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( -19.034 19.413 7.064) 28.091 3.335 ( -14.138 20.444 16.820) 30.013 3.528 ( -13.664 6.899 2.547) 15.517 3.770 ( -33.214 -4.115 2.222) 33.541 4.252 ( -33.934 -15.573 7.896) 38.163 4.769 ( -27.356 -7.488 4.841) 28.772 4.947 ( 0.259 8.519 -8.619) 12.122 5.534 ( 5.566 3.086 -12.519) 14.044 5.880 ( 22.617 26.220 -2.678) 34.730 5.985 ( 7.943 11.291 -8.984) 16.471 6.188 ( -2.752 -7.323 -0.328) 7.830 6.240 ( 24.754 27.464 0.090) 36.974 6.364 ( 0.417 -0.188 0.806) 0.927 6.606 ( -6.157 4.836 3.498) 8.576 6.805 ( 10.729 8.904 3.255) 14.317 6.976 ( 1.406 22.679 -5.074) 23.282 7.069 ( 18.699 -0.191 -2.537) 18.871 7.146 ( 9.221 0.554 -1.335) 9.334 7.232 ( 11.484 -2.434 -6.327) 13.336 7.286 ( 30.174 -6.461 3.000) 31.003 7.558 ( 18.358 6.801 0.159) 19.578 7.921 ( 13.041 5.671 2.132) 14.380 8.023 ( -2.712 8.825 -7.954) 12.186 8.042 ( 5.409 -3.525 -4.546) 7.897 8.282 ( 4.890 -4.820 -1.100) 6.953 8.396 ( -0.196 -3.288 -0.753) 3.379 8.452 ( -0.141 -5.705 3.471) 6.680 8.525 ( -9.925 1.567 0.304) 10.052 8.608 ( 3.653 -1.890 3.739) 5.559 8.803 ( -6.757 -0.253 -0.168) 6.763 8.921 ( -10.305 -2.942 -1.135) 10.777 9.195 ( -3.045 -10.113 -1.595) 10.681 9.322 ( -8.093 -25.537 0.631) 26.797 9.475 ( -2.098 -15.421 1.454) 15.631 9.552 ( 4.154 -9.566 1.736) 10.572 9.699 ( 3.892 -16.933 1.726) 17.460 10.226 ( -22.061 -13.073 -1.937) 25.717 10.268 ( -30.037 -11.110 1.128) 32.046 10.564 ( -20.312 -6.786 -0.567) 21.423 10.746 ( -26.688 -7.865 1.324) 27.854 10.902 ( 3.233 2.933 5.929) 7.363 11.024 ( 0.538 -0.293 2.161) 2.246 11.096 ( -1.876 -0.139 2.207) 2.900 11.234 ( -2.146 -5.296 6.695) 8.802 11.414 ( 1.308 1.925 -0.339) 2.352 11.511 ( 8.530 -2.451 0.355) 8.882 11.804 ( 0.231 3.195 0.769) 3.295 11.819 ( 4.601 1.470 0.815) 4.898 12.008 ( 16.782 13.568 1.021) 21.605 12.124 ( 5.016 3.006 -1.412) 6.016 12.130 ( 6.544 4.768 2.746) 8.549 12.376 ( 1.756 4.260 1.132) 4.744 12.512 ( 7.792 2.807 0.189) 8.285 12.692 ( -2.807 4.889 -1.702) 5.889 12.745 ( 6.814 -0.849 -4.648) 8.292 12.825 ( -2.254 -2.133 -3.939) 5.015 13.336 ( 2.872 7.808 1.167) 8.401 13.510 ( 7.328 6.462 -5.162) 11.050 13.647 ( -0.989 13.549 -2.443) 13.802 13.804 ( 0.488 5.870 -4.068) 7.159 13.930 ( -1.199 10.495 1.410) 10.657 14.195 ( 3.283 4.705 1.480) 5.925 14.208 ( 0.726 1.793 -3.011) 3.578 14.389 ( 1.290 -6.301 -8.698) 10.818 14.494 ( -6.019 -0.006 -2.344) 6.459 14.609 ( -6.271 -1.672 0.499) 6.509 14.719 ( -4.114 0.626 -2.744) 4.985 14.914 ( -4.538 -5.310 2.011) 7.269 14.990 ( 2.096 8.579 4.696) 10.002 15.257 ( -1.723 0.650 -0.428) 1.891 15.347 ( 6.500 7.413 -3.553) 10.480 15.400 ( -6.483 -3.530 -1.943) 7.633 15.599 ( 1.115 -9.356 -0.309) 9.428 15.714 ( -1.656 -3.485 -0.448) 3.884 15.892 ( -2.623 1.634 1.753) 3.553 16.086 ( 2.713 -10.019 -3.619) 10.992 16.132 ( -1.671 1.731 2.109) 3.199 16.163 ( 2.616 0.293 -1.537) 3.049 16.270 ( -1.827 3.289 -0.887) 3.865 16.410 ( -5.552 4.515 -1.350) 7.282 16.508 ( 4.449 -6.437 -1.726) 8.012 16.727 ( -3.823 -2.726 5.673) 7.364 16.864 ( 3.643 -0.310 4.461) 5.768 17.238 ( 6.132 -9.798 3.179) 11.988 17.501 ( 6.280 -4.343 12.661) 14.785 17.590 ( 1.354 -3.195 -0.605) 3.523 17.807 ( 3.125 -5.439 3.087) 6.991 17.942 ( -4.555 -10.119 4.016) 11.801 18.758 ( -1.382 3.957 -1.567) 4.475 18.818 ( -0.904 1.878 -1.478) 2.555 19.161 ( -1.232 5.192 -4.550) 7.013 19.250 ( 0.864 1.940 -0.917) 2.313 19.474 ( 1.605 -0.713 2.092) 2.732 19.483 ( 1.120 0.071 0.644) 1.294 19.863 ( 1.448 -4.360 1.902) 4.972 19.908 ( 0.862 -6.516 1.269) 6.694 20.927 ( 1.905 0.874 -7.197) 7.496 21.012 ( -1.558 -4.280 -11.136) 12.031 21.245 ( -5.365 2.422 -5.413) 7.997 21.268 ( 0.450 2.434 -0.113) 2.478 23.826 ( 0.353 2.341 -1.010) 2.574 23.944 ( 0.035 -1.893 0.196) 1.903 24.407 ( 0.071 5.405 -6.879) 8.749 24.538 ( -2.245 -0.224 -9.146) 9.420 24.793 ( -1.515 3.854 -2.384) 4.778 24.958 ( -0.171 -3.150 -1.040) 3.322 25.475 ( 4.165 2.307 -2.031) 5.177 25.539 ( 5.361 0.261 -0.388) 5.382 25.784 ( 1.131 1.622 19.763) 19.861 25.834 ( -6.664 0.247 12.138) 13.849 26.485 ( -4.538 3.808 2.643) 6.487 26.590 ( -0.398 2.046 8.210) 8.471 27.389 ( 7.443 7.490 -2.984) 10.972 27.678 ( 2.868 -4.818 -3.258) 6.485 28.068 ( -9.324 4.629 -2.272) 10.655 28.161 ( -3.578 0.893 0.655) 3.745 28.832 ( -3.515 2.832 2.600) 5.209 29.010 ( -2.872 -5.257 6.089) 8.542 29.626 ( 0.964 1.796 -5.354) 5.729 29.707 ( -1.835 -0.272 -5.758) 6.050 29.736 ( 6.175 7.020 5.425) 10.809 29.917 ( 1.335 -1.277 3.405) 3.874 30.093 ( 4.773 -3.601 -1.053) 6.071 30.238 ( 1.185 -7.716 -4.208) 8.868 31.508 ( 3.177 2.751 0.745) 4.268 31.577 ( 3.066 -1.532 1.000) 3.570 31.713 ( 4.162 -2.500 -1.385) 5.049 31.769 ( 0.295 -4.294 -0.798) 4.377 32.196 ( -3.562 4.521 0.544) 5.781 32.359 ( -1.621 1.273 -2.390) 3.156 32.534 ( -7.033 -3.662 2.699) 8.376 32.678 ( -6.156 -5.867 -0.253) 8.508 33.466 ( 3.413 11.811 1.542) 12.390 33.706 ( -1.317 2.437 -2.693) 3.863 33.858 ( 1.482 3.182 -0.433) 3.537 33.981 ( 0.880 -1.149 0.765) 1.637 34.144 ( -2.718 3.015 -2.348) 4.689 34.292 ( 1.779 -0.285 0.729) 1.944 34.400 ( -1.232 -1.764 0.928) 2.343 34.559 ( -0.271 -5.307 0.961) 5.400 35.551 ( 2.845 10.089 -0.629) 10.501 35.730 ( 0.355 10.307 0.793) 10.343 35.823 ( 3.051 -1.468 -1.143) 3.574 36.140 ( -1.840 -7.176 -3.553) 8.216 91.129 ( 0.212 6.124 1.121) 6.229 91.166 ( -0.551 5.104 0.250) 5.140 91.402 ( 0.268 -6.984 4.505) 8.315 91.450 ( 0.138 -7.929 2.843) 8.424 93.883 ( -0.110 6.421 0.581) 6.448 93.957 ( 0.268 10.323 0.607) 10.345 94.106 ( -0.475 -3.951 2.063) 4.482 94.408 ( -0.712 -9.690 3.873) 10.459 94.850 ( -0.357 2.136 -3.644) 4.239 95.079 ( 5.704 -8.019 -6.511) 11.800 95.483 ( 0.562 -1.930 10.473) 10.664 95.932 ( -5.685 -23.765 -3.112) 24.633 98.013 ( -0.680 2.260 1.520) 2.807 98.050 ( -1.098 0.426 1.483) 1.894 99.159 ( -1.355 5.326 -1.303) 5.648 99.256 ( -1.688 -0.208 -1.239) 2.104 102.473 ( -0.050 0.898 -0.191) 0.920 102.479 ( 0.295 0.667 0.198) 0.755 102.905 ( 0.206 3.011 0.188) 3.024 102.962 ( -0.549 -0.034 -0.444) 0.707 107.582 ( 0.009 0.270 -0.262) 0.376 107.594 ( 0.375 -0.269 0.108) 0.474 107.749 ( 0.674 -0.160 0.129) 0.705 107.773 ( 0.492 -1.344 -0.100) 1.435 ======================= Grid point 39 (24/126) ======================= q-point: ( 0.38 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( -4.726 2.204 2.774) 5.906 3.083 ( -32.542 -22.988 0.118) 39.842 3.349 ( -5.760 9.569 2.619) 11.472 3.699 ( -17.533 2.000 12.122) 21.409 3.973 ( -6.935 7.945 11.971) 15.953 4.598 ( -18.112 9.654 17.865) 27.210 4.812 ( 6.119 6.185 -20.556) 22.321 5.403 ( -0.711 1.469 -9.862) 9.996 5.671 ( -5.943 1.920 -14.736) 16.005 6.105 ( -8.870 -13.275 4.835) 16.682 6.191 ( 5.713 7.544 1.913) 9.655 6.469 ( 2.687 -5.142 -4.110) 7.110 6.575 ( 11.841 27.524 2.646) 30.080 6.745 ( 24.810 35.350 -1.039) 43.200 6.910 ( 3.052 21.666 -2.136) 21.983 6.962 ( 5.400 26.671 -3.546) 27.442 7.113 ( 6.850 8.749 -1.285) 11.186 7.305 ( 11.396 3.723 2.565) 12.260 7.358 ( 10.253 2.632 -2.225) 10.816 7.681 ( 14.355 -2.520 3.608) 15.015 7.815 ( -10.185 11.849 -3.743) 16.066 7.937 ( 6.892 3.569 -0.460) 7.775 8.075 ( 11.372 -8.302 -3.073) 14.412 8.092 ( 10.947 -4.381 2.384) 12.029 8.327 ( -4.221 0.071 -2.038) 4.688 8.377 ( -6.978 4.772 1.387) 8.567 8.501 ( 13.023 -8.631 1.405) 15.687 8.548 ( 16.167 -6.583 1.440) 17.515 8.703 ( -2.031 0.554 -0.566) 2.180 8.746 ( 1.355 -2.340 1.426) 3.057 8.798 ( 0.054 -3.293 1.206) 3.507 9.087 ( -8.136 -10.796 -1.849) 13.644 9.192 ( -11.885 -27.788 1.225) 30.247 9.466 ( 1.047 -18.326 -1.111) 18.389 9.575 ( -13.121 -13.439 -0.655) 18.794 9.736 ( -2.888 -8.076 -0.184) 8.578 9.778 ( -14.974 -14.100 -1.980) 20.663 10.034 ( -10.800 -26.448 -0.771) 28.578 10.260 ( -18.596 -10.006 0.717) 21.129 10.372 ( -22.737 -11.396 1.800) 25.497 10.996 ( 1.893 1.097 1.215) 2.502 11.058 ( 0.095 -0.175 2.019) 2.029 11.120 ( -1.036 3.416 5.502) 6.558 11.273 ( -1.972 -3.599 2.351) 4.730 11.474 ( 4.442 4.595 2.446) 6.843 11.646 ( 8.000 -1.780 0.318) 8.202 11.757 ( -3.623 0.429 -0.495) 3.682 11.882 ( 3.281 -3.647 -0.972) 5.001 12.168 ( 5.198 6.919 0.593) 8.674 12.247 ( 8.758 6.231 3.109) 11.189 12.281 ( 5.924 2.681 1.558) 6.686 12.372 ( -4.376 7.482 0.865) 8.711 12.587 ( -2.625 0.742 -6.976) 7.490 12.603 ( -3.101 6.305 -0.304) 7.033 12.665 ( 11.080 7.791 -1.689) 13.650 12.975 ( 6.631 3.002 4.626) 8.624 13.420 ( 5.351 11.888 -1.889) 13.173 13.530 ( 7.469 8.780 -3.770) 12.128 13.575 ( -5.906 11.144 0.315) 12.616 13.812 ( 6.183 1.386 -4.091) 7.542 13.902 ( -5.606 6.168 0.862) 8.380 14.069 ( -8.015 5.805 -5.003) 11.089 14.248 ( 2.460 1.678 -5.620) 6.360 14.300 ( 2.037 -2.023 -3.577) 4.586 14.431 ( -3.881 -5.479 0.534) 6.736 14.501 ( -2.958 0.082 -1.240) 3.209 14.642 ( -6.491 6.785 2.136) 9.630 14.923 ( 2.655 -3.384 0.947) 4.405 15.045 ( -1.419 5.425 0.401) 5.622 15.162 ( -5.408 -0.541 -4.308) 6.935 15.334 ( 1.034 -0.863 6.288) 6.431 15.465 ( 6.730 2.096 -1.956) 7.315 15.631 ( 0.087 -13.203 2.230) 13.390 15.708 ( -1.294 -2.497 3.451) 4.451 15.846 ( -4.822 1.913 -1.162) 5.316 15.945 ( -3.718 -3.356 -7.647) 9.141 16.156 ( 1.332 1.885 -2.779) 3.612 16.189 ( -0.893 -0.551 0.970) 1.429 16.252 ( 1.655 0.521 1.138) 2.075 16.357 ( -1.015 0.265 -0.421) 1.131 16.591 ( 4.530 -5.794 1.676) 7.544 16.737 ( -2.217 -4.294 2.713) 5.542 16.976 ( 4.273 0.225 2.825) 5.127 17.317 ( 1.173 -12.205 0.439) 12.269 17.592 ( 0.605 -1.270 -0.536) 1.506 17.698 ( 2.658 -8.602 6.269) 10.971 17.862 ( 2.956 -2.661 2.694) 4.804 17.985 ( -1.947 -8.641 6.599) 11.046 18.728 ( -0.918 2.893 -0.150) 3.039 18.776 ( -0.930 0.697 -2.781) 3.014 19.114 ( 0.453 6.798 -2.605) 7.294 19.250 ( 0.556 0.968 -0.518) 1.231 19.551 ( 3.265 0.996 3.816) 5.121 19.554 ( 3.500 0.947 4.382) 5.687 19.857 ( -1.937 -6.179 -1.562) 6.661 19.890 ( -2.251 -5.694 -2.738) 6.707 20.739 ( -3.998 3.964 -10.301) 11.739 20.928 ( -0.135 -2.738 -5.562) 6.201 21.135 ( -1.854 2.299 -2.860) 4.111 21.306 ( 2.265 -1.632 0.899) 2.933 23.822 ( 0.265 3.221 -0.219) 3.239 23.935 ( -0.698 -1.027 -0.522) 1.347 24.339 ( 0.552 4.433 -5.003) 6.707 24.411 ( -1.217 0.922 -6.267) 6.450 24.787 ( 0.868 5.034 2.002) 5.487 24.966 ( -0.283 -0.918 1.835) 2.071 25.508 ( 5.283 3.520 -2.179) 6.712 25.607 ( 3.673 0.130 -1.258) 3.884 25.796 ( -9.047 2.466 4.320) 10.324 25.920 ( -5.244 -3.751 5.774) 8.655 26.576 ( 3.128 4.870 12.177) 13.483 26.749 ( 3.246 0.772 10.547) 11.062 27.407 ( 2.374 3.463 -8.231) 9.240 27.524 ( -4.746 0.063 -10.836) 11.830 28.008 ( -3.056 7.464 5.701) 9.877 28.170 ( 1.074 0.957 -0.056) 1.440 28.867 ( -1.036 1.436 7.131) 7.348 29.052 ( -2.285 -6.360 6.665) 9.492 29.506 ( -1.484 0.707 -9.296) 9.440 29.640 ( 1.263 -2.329 -4.122) 4.900 29.793 ( -1.993 6.737 -2.540) 7.471 29.972 ( 2.652 5.988 4.042) 7.695 30.191 ( -0.168 -10.472 -3.270) 10.972 30.235 ( 7.017 -6.180 3.839) 10.108 31.562 ( 3.266 3.546 0.131) 4.822 31.633 ( 2.724 -0.542 0.746) 2.876 31.750 ( 0.767 -2.026 -0.296) 2.187 31.767 ( 2.140 -3.002 -0.842) 3.782 32.147 ( -3.025 2.878 0.193) 4.180 32.305 ( -1.624 -5.045 -2.400) 5.818 32.482 ( -4.556 1.080 2.647) 5.379 32.591 ( -4.837 -4.288 -0.228) 6.468 33.530 ( 2.722 9.058 1.002) 9.511 33.662 ( -1.126 3.121 -1.279) 3.556 33.868 ( 0.933 5.260 -0.746) 5.395 34.005 ( 0.487 1.519 0.937) 1.850 34.079 ( -1.934 1.859 -1.758) 3.207 34.304 ( 0.106 -6.485 -0.873) 6.544 34.406 ( -0.223 2.128 1.452) 2.586 34.559 ( -0.437 -4.207 0.225) 4.236 35.584 ( 2.080 8.892 -0.112) 9.132 35.749 ( 0.803 10.247 0.550) 10.293 35.843 ( 1.513 -3.190 -0.942) 3.654 36.077 ( -1.135 -5.364 -2.438) 6.000 91.129 ( -0.524 7.097 -0.151) 7.118 91.180 ( 0.450 5.426 1.344) 5.608 91.451 ( -0.003 -7.560 2.740) 8.041 91.484 ( 0.115 -9.684 2.030) 9.895 93.874 ( -0.632 6.943 -0.443) 6.986 93.988 ( 1.016 10.768 1.778) 10.961 94.115 ( -0.820 -4.275 0.985) 4.463 94.443 ( -0.286 -6.571 2.296) 6.967 94.843 ( -0.064 -4.233 3.642) 5.585 95.043 ( 4.102 -12.404 -10.580) 16.812 95.604 ( -0.639 -5.380 8.452) 10.039 95.814 ( -3.917 -15.352 -3.686) 16.267 98.023 ( -0.513 2.288 1.415) 2.739 98.052 ( -0.678 0.932 0.800) 1.403 99.135 ( -0.082 5.209 -0.797) 5.270 99.211 ( -2.075 0.881 -1.086) 2.502 102.470 ( -0.047 1.121 -0.170) 1.135 102.485 ( 0.193 0.437 0.170) 0.507 102.913 ( 0.760 2.519 -0.096) 2.633 102.948 ( -0.934 0.628 -0.064) 1.128 107.580 ( 0.004 0.473 -0.183) 0.507 107.600 ( 0.243 -0.457 0.068) 0.522 107.759 ( 0.462 -0.468 0.076) 0.662 107.779 ( 0.359 -1.444 -0.050) 1.489 ======================= Grid point 40 (25/126) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( 0.000 -12.360 0.000) 12.360 2.738 ( -0.000 -16.618 0.000) 16.618 3.401 ( 0.000 2.872 0.000) 2.872 3.497 ( -0.000 -2.409 0.000) 2.409 4.127 ( 0.000 12.672 0.000) 12.672 4.642 ( -0.000 -3.412 0.001) 3.412 4.648 ( 0.000 27.137 -0.000) 27.137 5.305 ( 0.000 10.782 0.000) 10.782 5.533 ( 0.000 -6.132 0.000) 6.132 6.073 ( -0.000 -12.705 0.000) 12.705 6.252 ( 0.000 -9.437 0.000) 9.437 6.422 ( 0.000 -6.454 0.000) 6.454 6.658 ( 0.000 29.635 0.000) 29.635 6.904 ( 0.000 31.723 0.000) 31.723 6.913 ( -0.000 29.671 0.000) 29.671 6.997 ( -0.000 28.183 0.000) 28.183 7.309 ( 0.000 11.218 0.000) 11.218 7.393 ( 0.000 4.218 0.000) 4.218 7.505 ( 0.000 20.675 0.000) 20.675 7.572 ( -0.000 11.112 0.000) 11.112 7.840 ( -0.000 0.917 -0.000) 0.917 7.871 ( 0.000 0.704 0.000) 0.704 8.130 ( -0.000 -2.892 -0.000) 2.892 8.155 ( 0.000 -1.808 0.000) 1.808 8.339 ( 0.000 -6.524 0.000) 6.524 8.365 ( -0.000 11.598 0.000) 11.598 8.624 ( -0.000 5.771 0.000) 5.771 8.667 ( 0.000 -10.740 0.000) 10.740 8.720 ( -0.000 -2.045 0.000) 2.045 8.890 ( 0.000 -13.140 0.000) 13.140 8.940 ( 0.000 -21.151 0.000) 21.151 9.005 ( -0.000 -26.248 0.000) 26.248 9.056 ( -0.000 -10.193 0.000) 10.193 9.156 ( 0.000 -12.832 0.000) 12.832 9.522 ( 0.000 -18.388 0.000) 18.388 9.649 ( 0.000 -2.971 0.000) 2.971 9.763 ( 0.000 -19.573 0.000) 19.573 9.934 ( 0.000 -23.755 0.000) 23.755 10.166 ( 0.000 -8.568 -0.000) 8.568 10.182 ( -0.000 -20.429 0.000) 20.429 11.010 ( 0.000 1.166 0.000) 1.166 11.072 ( 0.000 -0.600 0.000) 0.600 11.165 ( 0.000 3.194 0.000) 3.194 11.259 ( 0.000 -1.499 0.000) 1.499 11.545 ( 0.000 6.558 0.000) 6.558 11.672 ( 0.000 1.186 0.000) 1.186 11.758 ( 0.000 -2.614 0.000) 2.614 11.893 ( 0.000 -10.230 -0.000) 10.230 12.245 ( 0.000 10.816 0.000) 10.816 12.287 ( -0.000 5.131 -0.000) 5.131 12.309 ( -0.000 4.940 -0.000) 4.940 12.409 ( 0.000 -0.765 0.000) 0.765 12.491 ( -0.000 4.743 -0.000) 4.743 12.519 ( -0.000 1.527 0.000) 1.527 12.925 ( -0.000 15.956 -0.000) 15.956 12.928 ( 0.000 12.757 0.000) 12.757 13.421 ( 0.000 19.138 0.000) 19.138 13.580 ( 0.000 1.709 -0.000) 1.709 13.619 ( -0.000 -1.858 0.000) 1.858 13.779 ( 0.000 2.207 -0.000) 2.207 13.819 ( 0.000 7.467 0.000) 7.467 13.989 ( 0.000 9.339 0.000) 9.339 14.237 ( -0.000 -2.403 0.000) 2.403 14.279 ( 0.000 -8.133 0.000) 8.133 14.383 ( -0.000 2.404 0.000) 2.404 14.521 ( -0.000 -3.259 0.000) 3.259 14.587 ( 0.000 13.671 0.000) 13.671 14.961 ( 0.000 -1.764 0.000) 1.764 15.032 ( 0.000 2.637 0.000) 2.637 15.072 ( 0.000 -2.275 0.000) 2.275 15.418 ( 0.000 -8.800 0.000) 8.800 15.521 ( 0.000 0.686 0.000) 0.686 15.615 ( 0.000 5.010 0.000) 5.010 15.724 ( -0.000 -8.380 0.000) 8.380 15.791 ( 0.000 -0.182 0.000) 0.182 15.869 ( 0.000 -4.385 0.000) 4.385 16.152 ( 0.000 -0.138 0.000) 0.138 16.162 ( -0.000 2.970 0.000) 2.970 16.314 ( 0.000 0.160 0.000) 0.160 16.327 ( -0.000 -2.277 -0.000) 2.277 16.643 ( 0.000 -4.655 0.000) 4.655 16.733 ( 0.000 -4.331 0.000) 4.331 17.031 ( 0.000 -0.177 0.000) 0.177 17.316 ( 0.000 -13.184 0.000) 13.184 17.593 ( 0.000 -0.677 0.000) 0.677 17.752 ( 0.000 -8.571 -0.000) 8.571 17.921 ( 0.000 -3.278 0.000) 3.278 18.013 ( -0.000 -8.960 0.000) 8.960 18.733 ( 0.000 2.310 0.000) 2.310 18.736 ( -0.000 0.650 -0.000) 0.650 19.101 ( 0.000 7.110 0.000) 7.110 19.252 ( 0.000 0.851 0.000) 0.851 19.615 ( 0.000 3.501 0.000) 3.501 19.643 ( 0.000 2.208 0.000) 2.208 19.815 ( 0.000 -8.799 0.000) 8.799 19.821 ( 0.000 -5.496 0.000) 5.496 20.638 ( 0.000 5.767 0.000) 5.767 20.885 ( 0.000 -1.059 0.000) 1.059 21.108 ( 0.000 0.076 0.000) 0.076 21.329 ( 0.000 -3.287 0.000) 3.287 23.824 ( 0.000 3.502 0.000) 3.502 23.924 ( 0.000 -0.445 0.000) 0.445 24.307 ( 0.000 4.130 0.000) 4.130 24.361 ( 0.000 0.895 0.000) 0.895 24.820 ( 0.000 5.700 0.000) 5.700 24.977 ( 0.000 1.544 0.000) 1.544 25.561 ( -0.000 2.711 -0.000) 2.711 25.592 ( 0.000 0.788 0.000) 0.788 25.757 ( -0.000 3.248 0.000) 3.248 25.898 ( 0.000 -3.958 0.000) 3.958 26.695 ( 0.000 3.382 0.000) 3.382 26.909 ( 0.000 -6.079 -0.000) 6.079 27.240 ( 0.000 9.283 0.000) 9.283 27.470 ( -0.000 -0.126 0.000) 0.126 28.041 ( 0.000 7.751 0.000) 7.751 28.168 ( 0.000 2.985 0.000) 2.985 28.919 ( 0.000 0.247 0.000) 0.247 29.088 ( 0.000 -6.683 0.000) 6.683 29.422 ( 0.000 1.608 0.000) 1.608 29.630 ( 0.000 -6.939 0.000) 6.939 29.738 ( 0.000 8.983 0.000) 8.983 30.029 ( -0.000 7.541 0.000) 7.541 30.162 ( 0.000 -10.907 0.000) 10.907 30.319 ( 0.000 -6.751 0.000) 6.751 31.591 ( 0.000 3.598 0.000) 3.598 31.657 ( -0.000 -0.802 0.000) 0.802 31.755 ( 0.000 -2.065 0.000) 2.065 31.776 ( -0.000 -0.127 0.000) 0.127 32.128 ( 0.000 1.123 0.000) 1.123 32.271 ( 0.000 -6.698 0.000) 6.698 32.467 ( 0.000 2.033 -0.000) 2.033 32.551 ( 0.000 -3.445 0.000) 3.445 33.558 ( -0.000 7.302 0.000) 7.302 33.645 ( 0.000 3.269 0.000) 3.269 33.869 ( -0.000 7.049 0.000) 7.049 34.011 ( 0.000 4.025 0.000) 4.025 34.057 ( 0.000 0.006 0.000) 0.006 34.294 ( 0.000 -8.205 0.000) 8.205 34.416 ( 0.000 2.693 0.000) 2.693 34.557 ( 0.000 -4.072 0.000) 4.072 35.600 ( 0.000 8.404 0.000) 8.404 35.760 ( 0.000 10.281 -0.000) 10.281 35.847 ( -0.000 -3.838 0.000) 3.838 36.053 ( 0.000 -4.531 0.000) 4.531 91.123 ( 0.000 7.427 0.000) 7.427 91.194 ( 0.000 5.626 0.000) 5.626 91.469 ( 0.000 -7.783 0.000) 7.783 91.499 ( 0.000 -10.401 0.000) 10.401 93.865 ( 0.000 7.013 0.000) 7.013 94.010 ( 0.000 11.374 0.000) 11.374 94.113 ( 0.000 -4.745 0.000) 4.745 94.454 ( 0.000 -4.151 0.000) 4.151 94.914 ( 0.000 -12.816 -0.000) 12.816 94.958 ( -0.000 -9.400 0.000) 9.400 95.664 ( 0.000 -7.175 -0.000) 7.175 95.750 ( 0.000 -11.114 0.000) 11.114 98.030 ( 0.000 2.229 0.000) 2.229 98.051 ( 0.000 1.202 0.000) 1.202 99.132 ( 0.000 4.750 0.000) 4.750 99.184 ( -0.000 1.754 -0.000) 1.754 102.468 ( 0.000 1.208 0.000) 1.208 102.488 ( 0.000 0.347 0.000) 0.347 102.921 ( 0.000 2.052 0.000) 2.052 102.938 ( -0.000 1.146 0.000) 1.146 107.578 ( 0.000 0.553 0.000) 0.553 107.602 ( 0.000 -0.527 0.000) 0.527 107.763 ( 0.000 -0.580 0.000) 0.580 107.781 ( 0.000 -1.494 0.000) 1.494 ======================= Grid point 45 (26/126) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.385 ( 0.000 -37.274 0.000) 37.274 3.385 ( 0.000 37.274 0.000) 37.274 4.568 ( 0.000 -12.349 0.000) 12.349 4.568 ( 0.000 12.349 0.000) 12.349 4.868 ( 0.000 -4.995 0.000) 4.995 4.868 ( 0.000 4.995 0.000) 4.995 5.301 ( 0.000 -14.934 0.000) 14.934 5.301 ( 0.000 14.934 0.000) 14.934 5.586 ( 0.000 -9.119 0.000) 9.119 5.586 ( 0.000 9.119 0.000) 9.119 5.910 ( 0.000 -21.071 0.000) 21.071 5.910 ( 0.000 21.071 0.000) 21.071 6.216 ( 0.000 -8.564 0.000) 8.564 6.216 ( 0.000 8.564 0.000) 8.564 6.716 ( 0.000 -9.553 0.000) 9.553 6.716 ( 0.000 9.553 0.000) 9.553 6.943 ( 0.000 -4.700 0.000) 4.700 6.943 ( 0.000 4.700 0.000) 4.700 7.561 ( 0.000 -15.357 0.000) 15.357 7.561 ( 0.000 15.357 0.000) 15.357 7.675 ( 0.000 -0.978 0.000) 0.978 7.675 ( 0.000 0.978 0.000) 0.978 8.000 ( 0.000 -8.641 0.000) 8.641 8.000 ( 0.000 8.641 0.000) 8.641 8.356 ( 0.000 -1.118 0.000) 1.118 8.356 ( 0.000 1.118 0.000) 1.118 8.482 ( 0.000 -6.430 0.000) 6.430 8.482 ( 0.000 6.430 0.000) 6.430 8.587 ( 0.000 -3.126 0.000) 3.126 8.587 ( 0.000 3.126 0.000) 3.126 9.096 ( 0.000 -0.187 0.000) 0.187 9.096 ( 0.000 0.187 0.000) 0.187 9.285 ( 0.000 -7.263 0.000) 7.263 9.285 ( 0.000 7.263 0.000) 7.263 9.358 ( 0.000 -1.253 0.000) 1.253 9.358 ( 0.000 1.253 0.000) 1.253 10.669 ( 0.000 -4.330 0.000) 4.330 10.669 ( 0.000 4.330 0.000) 4.330 10.878 ( 0.000 -0.050 0.000) 0.050 10.878 ( 0.000 0.050 0.000) 0.050 10.977 ( 0.000 -3.149 0.000) 3.149 10.977 ( 0.000 3.149 0.000) 3.149 11.322 ( 0.000 -4.626 0.000) 4.626 11.322 ( 0.000 4.626 0.000) 4.626 11.358 ( 0.000 -1.721 0.000) 1.721 11.358 ( 0.000 1.721 0.000) 1.721 11.551 ( 0.000 -1.815 0.000) 1.815 11.551 ( 0.000 1.815 0.000) 1.815 12.016 ( 0.000 -8.783 0.000) 8.783 12.016 ( 0.000 8.783 0.000) 8.783 12.069 ( 0.000 -1.785 0.000) 1.785 12.069 ( 0.000 1.785 0.000) 1.785 12.652 ( 0.000 -12.431 0.000) 12.431 12.652 ( 0.000 12.431 0.000) 12.431 12.842 ( 0.000 -13.374 0.000) 13.374 12.842 ( 0.000 13.374 0.000) 13.374 13.488 ( 0.000 -0.185 0.000) 0.185 13.488 ( 0.000 0.185 0.000) 0.185 13.922 ( 0.000 -0.631 0.000) 0.631 13.922 ( 0.000 0.631 0.000) 0.631 14.034 ( 0.000 -4.248 0.000) 4.248 14.034 ( 0.000 4.248 0.000) 4.248 14.224 ( 0.000 -9.746 0.000) 9.746 14.224 ( 0.000 9.746 0.000) 9.746 14.652 ( 0.000 -0.134 0.000) 0.134 14.652 ( 0.000 0.134 0.000) 0.134 14.816 ( 0.000 -3.555 0.000) 3.555 14.816 ( 0.000 3.555 0.000) 3.555 15.163 ( 0.000 -1.600 0.000) 1.600 15.163 ( 0.000 1.600 0.000) 1.600 15.524 ( 0.000 -4.922 0.000) 4.922 15.524 ( 0.000 4.922 0.000) 4.922 15.628 ( 0.000 -3.771 0.000) 3.771 15.628 ( 0.000 3.771 0.000) 3.771 15.962 ( 0.000 -7.459 0.000) 7.459 15.962 ( 0.000 7.459 0.000) 7.459 16.099 ( 0.000 -1.252 0.000) 1.252 16.099 ( 0.000 1.252 0.000) 1.252 16.530 ( 0.000 -10.947 0.000) 10.947 16.530 ( 0.000 10.947 0.000) 10.947 16.600 ( 0.000 -3.283 0.000) 3.283 16.600 ( 0.000 3.283 0.000) 3.283 16.909 ( 0.000 -3.427 0.000) 3.427 16.909 ( 0.000 3.427 0.000) 3.427 17.172 ( 0.000 -16.682 0.000) 16.682 17.172 ( 0.000 16.682 0.000) 16.682 17.779 ( 0.000 -10.132 0.000) 10.132 17.779 ( 0.000 10.132 0.000) 10.132 18.882 ( 0.000 -1.798 0.000) 1.798 18.882 ( 0.000 1.798 0.000) 1.798 19.295 ( 0.000 -2.566 0.000) 2.566 19.295 ( 0.000 2.566 0.000) 2.566 19.561 ( 0.000 -1.803 0.000) 1.803 19.561 ( 0.000 1.803 0.000) 1.803 19.645 ( 0.000 -3.118 0.000) 3.118 19.645 ( 0.000 3.118 0.000) 3.118 21.015 ( 0.000 -11.945 0.000) 11.945 21.015 ( 0.000 11.945 0.000) 11.945 21.430 ( 0.000 -2.781 0.000) 2.781 21.430 ( 0.000 2.781 0.000) 2.781 23.872 ( 0.000 -2.248 0.000) 2.248 23.872 ( 0.000 2.248 0.000) 2.248 24.756 ( 0.000 -4.798 0.000) 4.798 24.756 ( 0.000 4.798 0.000) 4.798 24.982 ( 0.000 -7.045 0.000) 7.045 24.982 ( 0.000 7.045 0.000) 7.045 25.238 ( 0.000 -5.208 0.000) 5.208 25.238 ( 0.000 5.208 0.000) 5.208 25.611 ( 0.000 -5.723 0.000) 5.723 25.611 ( 0.000 5.723 0.000) 5.723 26.647 ( 0.000 -1.809 0.000) 1.809 26.647 ( 0.000 1.809 0.000) 1.809 27.341 ( 0.000 -4.739 0.000) 4.739 27.341 ( 0.000 4.739 0.000) 4.739 28.444 ( 0.000 -1.374 0.000) 1.374 28.444 ( 0.000 1.374 0.000) 1.374 28.861 ( 0.000 -1.348 0.000) 1.348 28.861 ( 0.000 1.348 0.000) 1.348 29.539 ( 0.000 -0.546 0.000) 0.546 29.539 ( 0.000 0.546 0.000) 0.546 29.828 ( 0.000 -0.372 0.000) 0.372 29.828 ( 0.000 0.372 0.000) 0.372 30.188 ( 0.000 -2.205 0.000) 2.205 30.188 ( 0.000 2.205 0.000) 2.205 31.466 ( 0.000 -1.805 0.000) 1.805 31.466 ( 0.000 1.805 0.000) 1.805 31.682 ( 0.000 -2.266 0.000) 2.266 31.682 ( 0.000 2.266 0.000) 2.266 32.412 ( 0.000 -10.382 0.000) 10.382 32.412 ( 0.000 10.382 0.000) 10.382 32.623 ( 0.000 -9.204 0.000) 9.204 32.623 ( 0.000 9.204 0.000) 9.204 33.624 ( 0.000 -10.597 0.000) 10.597 33.624 ( 0.000 10.597 0.000) 10.597 33.926 ( 0.000 -3.291 0.000) 3.291 33.926 ( 0.000 3.291 0.000) 3.291 34.308 ( 0.000 -7.647 0.000) 7.647 34.308 ( 0.000 7.647 0.000) 7.647 34.367 ( 0.000 -4.450 0.000) 4.450 34.367 ( 0.000 4.450 0.000) 4.450 35.686 ( 0.000 -5.999 0.000) 5.999 35.686 ( 0.000 5.999 0.000) 5.999 36.010 ( 0.000 -12.769 0.000) 12.769 36.010 ( 0.000 12.769 0.000) 12.769 91.204 ( 0.000 -5.465 0.000) 5.465 91.204 ( 0.000 5.465 0.000) 5.465 91.286 ( 0.000 -5.498 0.000) 5.498 91.286 ( 0.000 5.498 0.000) 5.498 93.968 ( 0.000 -5.662 0.000) 5.662 93.968 ( 0.000 5.662 0.000) 5.662 94.173 ( 0.000 -9.788 0.000) 9.788 94.173 ( 0.000 9.788 0.000) 9.788 95.024 ( 0.000 -1.948 0.000) 1.948 95.024 ( 0.000 1.948 0.000) 1.948 95.524 ( 0.000 -21.282 0.000) 21.282 95.524 ( 0.000 21.282 0.000) 21.282 98.035 ( 0.000 -1.015 0.000) 1.015 98.035 ( 0.000 1.015 0.000) 1.015 99.275 ( 0.000 -1.493 0.000) 1.493 99.275 ( 0.000 1.493 0.000) 1.493 102.481 ( 0.000 -0.337 0.000) 0.337 102.481 ( 0.000 0.337 0.000) 0.337 102.953 ( 0.000 -1.908 0.000) 1.908 102.953 ( 0.000 1.908 0.000) 1.908 107.586 ( 0.000 -0.110 0.000) 0.110 107.586 ( 0.000 0.110 0.000) 0.110 107.746 ( 0.000 -0.822 0.000) 0.822 107.746 ( 0.000 0.822 0.000) 0.822 ======================= Grid point 47 (27/126) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.364 ( -12.019 -32.874 6.530) 35.606 3.364 ( -12.019 32.874 6.530) 35.606 4.136 ( -37.361 -30.463 3.469) 48.330 4.136 ( -37.361 30.463 3.469) 48.330 4.614 ( -29.526 -29.230 -0.559) 41.551 4.614 ( -29.526 29.230 -0.559) 41.551 5.528 ( 1.393 -9.935 -3.140) 10.512 5.528 ( 1.393 9.935 -3.140) 10.512 5.767 ( 33.827 -10.561 -0.029) 35.437 5.767 ( 33.827 10.561 -0.029) 35.437 6.155 ( 4.691 -0.324 4.451) 6.475 6.155 ( 4.691 0.324 4.451) 6.475 6.240 ( 31.091 -15.197 -5.433) 35.031 6.240 ( 31.091 15.197 -5.433) 35.031 6.682 ( -3.410 -7.333 -2.190) 8.378 6.682 ( -3.410 7.333 -2.190) 8.378 6.994 ( 9.212 -5.774 -1.218) 10.940 6.994 ( 9.212 5.774 -1.218) 10.940 7.532 ( -3.007 -2.376 -3.401) 5.124 7.532 ( -3.007 2.376 -3.401) 5.124 7.719 ( 5.546 -12.232 1.528) 13.517 7.719 ( 5.546 12.232 1.528) 13.517 8.049 ( 6.112 -10.026 0.368) 11.747 8.049 ( 6.112 10.026 0.368) 11.747 8.316 ( -1.149 -5.385 -5.390) 7.705 8.316 ( -1.149 5.385 -5.390) 7.705 8.474 ( -1.672 -2.685 2.092) 3.793 8.474 ( -1.672 2.685 2.092) 3.793 8.576 ( 0.405 -5.102 -1.332) 5.288 8.576 ( 0.405 5.102 -1.332) 5.288 9.058 ( -5.551 -2.206 -1.083) 6.071 9.058 ( -5.551 2.206 -1.083) 6.071 9.239 ( -2.685 -11.113 -0.499) 11.444 9.239 ( -2.685 11.113 -0.499) 11.444 9.424 ( 2.246 -3.672 4.634) 6.325 9.424 ( 2.246 3.672 4.634) 6.325 10.562 ( -24.673 -6.553 -0.083) 25.528 10.562 ( -24.673 6.553 -0.083) 25.528 10.759 ( -7.188 -2.443 7.565) 10.718 10.759 ( -7.188 2.443 7.565) 10.718 10.999 ( -3.007 -3.033 -1.093) 4.409 10.999 ( -3.007 3.033 -1.093) 4.409 11.172 ( -9.545 -4.460 -0.496) 10.548 11.172 ( -9.545 4.460 -0.496) 10.548 11.381 ( 2.770 -0.874 0.508) 2.949 11.381 ( 2.770 0.874 0.508) 2.949 11.737 ( 11.122 -1.371 3.666) 11.791 11.737 ( 11.122 1.371 3.666) 11.791 12.046 ( 5.886 -6.945 -1.379) 9.208 12.046 ( 5.886 6.945 -1.379) 9.208 12.123 ( 9.525 -7.032 -1.394) 11.922 12.123 ( 9.525 7.032 -1.394) 11.922 12.622 ( -2.501 -10.991 0.052) 11.272 12.622 ( -2.501 10.991 0.052) 11.272 12.856 ( 1.728 -8.786 -2.938) 9.424 12.856 ( 1.728 8.786 -2.938) 9.424 13.454 ( 0.205 -2.698 -2.379) 3.603 13.454 ( 0.205 2.698 -2.379) 3.603 13.903 ( 2.756 -3.628 -4.983) 6.751 13.903 ( 2.756 3.628 -4.983) 6.751 14.101 ( 3.962 -7.521 2.508) 8.863 14.101 ( 3.962 7.521 2.508) 8.863 14.225 ( -2.328 -8.977 2.059) 9.499 14.225 ( -2.328 8.977 2.059) 9.499 14.628 ( 0.920 -1.283 -4.102) 4.395 14.628 ( 0.920 1.283 -4.102) 4.395 14.836 ( -3.261 -3.103 4.237) 6.181 14.836 ( -3.261 3.103 4.237) 6.181 15.134 ( -0.982 -4.593 -0.286) 4.706 15.134 ( -0.982 4.593 -0.286) 4.706 15.480 ( -2.522 -6.755 -3.633) 8.074 15.480 ( -2.522 6.755 -3.633) 8.074 15.640 ( 2.612 -3.776 -3.555) 5.807 15.640 ( 2.612 3.776 -3.555) 5.807 15.938 ( -3.029 -4.512 1.818) 5.730 15.938 ( -3.029 4.512 1.818) 5.730 16.106 ( 4.157 -1.397 -2.734) 5.168 16.106 ( 4.157 1.397 -2.734) 5.168 16.465 ( -2.962 -7.445 -4.868) 9.375 16.465 ( -2.962 7.445 -4.868) 9.375 16.635 ( -5.086 -6.935 5.650) 10.290 16.635 ( -5.086 6.935 5.650) 10.290 16.869 ( 0.339 -10.209 2.654) 10.554 16.869 ( 0.339 10.209 2.654) 10.554 17.337 ( 7.732 -11.180 9.030) 16.319 17.337 ( 7.732 11.180 9.030) 16.319 17.771 ( -0.393 -8.526 -0.384) 8.543 17.771 ( -0.393 8.526 -0.384) 8.543 18.865 ( -1.827 -1.663 -0.605) 2.543 18.865 ( -1.827 1.663 -0.605) 2.543 19.280 ( -0.137 -0.529 -2.589) 2.646 19.280 ( -0.137 0.529 -2.589) 2.646 19.478 ( -1.694 -1.891 -2.610) 3.642 19.478 ( -1.694 1.891 -2.610) 3.642 19.754 ( 3.866 -1.626 4.733) 6.324 19.754 ( 3.866 1.626 4.733) 6.324 21.009 ( 2.326 -8.347 -4.206) 9.632 21.009 ( 2.326 8.347 -4.206) 9.632 21.378 ( -3.024 -2.060 -3.857) 5.316 21.378 ( -3.024 2.060 -3.857) 5.316 23.878 ( 0.622 -2.822 0.181) 2.896 23.878 ( 0.622 2.822 0.181) 2.896 24.634 ( -4.576 -4.753 -7.665) 10.114 24.634 ( -4.576 4.753 -7.665) 10.114 24.942 ( 1.413 -4.602 -7.191) 8.654 24.942 ( 1.413 4.602 -7.191) 8.654 25.400 ( 4.714 -3.067 10.473) 11.887 25.400 ( 4.714 3.067 10.473) 11.887 25.653 ( 0.014 -4.709 8.953) 10.116 25.653 ( 0.014 4.709 8.953) 10.116 26.603 ( -5.978 -2.212 1.249) 6.496 26.603 ( -5.978 2.212 1.249) 6.496 27.425 ( 7.672 -6.647 2.676) 10.497 27.425 ( 7.672 6.647 2.676) 10.497 28.313 ( -8.465 -0.764 -6.141) 10.486 28.313 ( -8.465 0.764 -6.141) 10.486 28.905 ( -1.290 -2.304 4.135) 4.906 28.905 ( -1.290 2.304 4.135) 4.906 29.615 ( 6.296 -0.266 4.431) 7.703 29.615 ( 6.296 0.266 4.431) 7.703 29.798 ( -0.206 -1.550 -3.646) 3.967 29.798 ( -0.206 1.550 -3.646) 3.967 30.166 ( -0.928 -3.739 -2.565) 4.629 30.166 ( -0.928 3.739 -2.565) 4.629 31.490 ( 2.770 -1.744 0.527) 3.315 31.490 ( 2.770 1.744 0.527) 3.315 31.687 ( 1.051 -2.402 -0.412) 2.654 31.687 ( 1.051 2.402 -0.412) 2.654 32.380 ( -2.903 -8.658 -1.416) 9.241 32.380 ( -2.903 8.658 -1.416) 9.241 32.606 ( -3.186 -7.794 1.072) 8.488 32.606 ( -3.186 7.794 1.072) 8.488 33.639 ( 0.599 -9.734 1.373) 9.849 33.639 ( 0.599 9.734 1.373) 9.849 33.922 ( 0.776 -3.402 -1.246) 3.705 33.922 ( 0.776 3.402 -1.246) 3.705 34.274 ( -1.482 -3.666 -2.127) 4.490 34.274 ( -1.482 3.666 -2.127) 4.490 34.406 ( 1.247 -4.608 2.815) 5.542 34.406 ( 1.247 4.608 2.815) 5.542 35.694 ( 0.806 -6.021 0.336) 6.084 35.694 ( 0.806 6.021 0.336) 6.084 35.996 ( 0.122 -11.951 -2.105) 12.136 35.996 ( 0.122 11.951 -2.105) 12.136 91.219 ( 0.117 -5.455 1.980) 5.804 91.219 ( 0.117 5.455 1.980) 5.804 91.291 ( -0.045 -5.618 0.784) 5.672 91.291 ( -0.045 5.618 0.784) 5.672 93.983 ( 0.282 -5.621 1.701) 5.880 93.983 ( 0.282 5.621 1.701) 5.880 94.171 ( -0.284 -10.415 0.356) 10.425 94.171 ( -0.284 10.415 0.356) 10.425 95.000 ( 1.148 -3.728 -4.964) 6.314 95.000 ( 1.148 3.728 -4.964) 6.314 95.541 ( -1.136 -18.052 3.692) 18.461 95.541 ( -1.136 18.052 3.692) 18.461 98.038 ( -0.543 -1.013 1.071) 1.571 98.038 ( -0.543 1.013 1.071) 1.571 99.263 ( -0.796 -1.933 -0.922) 2.285 99.263 ( -0.796 1.933 -0.922) 2.285 102.482 ( 0.099 -0.213 0.007) 0.235 102.482 ( 0.099 0.213 0.007) 0.235 102.952 ( -0.102 -1.752 -0.079) 1.756 102.952 ( -0.102 1.752 -0.079) 1.756 107.587 ( 0.139 -0.093 -0.041) 0.172 107.587 ( 0.139 0.093 -0.041) 0.172 107.748 ( 0.291 -0.759 0.009) 0.813 107.748 ( 0.291 0.759 0.009) 0.813 ======================= Grid point 49 (28/126) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.086 ( -32.644 -24.322 3.152) 40.831 3.086 ( -32.644 24.322 3.152) 40.831 3.800 ( -25.416 -18.996 9.934) 33.249 3.800 ( -25.416 18.996 9.934) 33.249 4.286 ( -11.634 -26.372 2.758) 28.955 4.286 ( -11.634 26.372 2.758) 28.955 5.379 ( -9.267 -20.635 -3.859) 22.947 5.379 ( -9.267 20.636 -3.859) 22.947 5.975 ( -1.587 -8.335 -6.823) 10.888 5.975 ( -1.587 8.335 -6.823) 10.888 6.324 ( 5.489 -9.084 0.311) 10.618 6.324 ( 5.489 9.084 0.311) 10.618 6.678 ( 28.608 -13.661 -1.638) 31.745 6.678 ( 28.608 13.661 -1.638) 31.745 6.842 ( 37.759 -20.687 -1.010) 43.066 6.842 ( 37.759 20.687 -1.010) 43.066 7.149 ( 11.436 -4.862 0.370) 12.432 7.149 ( 11.436 4.862 0.370) 12.432 7.425 ( -2.061 -6.211 -4.136) 7.742 7.425 ( -2.061 6.211 -4.136) 7.742 7.830 ( 8.408 -14.748 -1.129) 17.014 7.830 ( 8.408 14.749 -1.129) 17.014 8.114 ( -0.278 -8.645 -3.622) 9.377 8.114 ( -0.278 8.645 -3.622) 9.377 8.272 ( 4.849 -8.186 1.668) 9.659 8.272 ( 4.849 8.186 1.668) 9.659 8.485 ( 0.033 -8.330 0.313) 8.336 8.485 ( 0.033 8.330 0.313) 8.336 8.595 ( 2.121 -8.208 2.437) 8.821 8.595 ( 2.121 8.208 2.437) 8.821 8.906 ( -12.592 -8.235 -1.098) 15.086 8.906 ( -12.592 8.235 -1.098) 15.086 9.189 ( -2.824 -10.555 -2.455) 11.199 9.189 ( -2.824 10.555 -2.455) 11.199 9.518 ( 3.068 -2.615 3.615) 5.415 9.518 ( 3.068 2.615 3.615) 5.415 10.120 ( -33.063 -3.372 0.045) 33.235 10.120 ( -33.063 3.372 0.045) 33.235 10.583 ( -25.331 -6.698 0.512) 26.207 10.583 ( -25.331 6.698 0.512) 26.207 10.980 ( 1.960 -3.869 3.172) 5.374 10.980 ( 1.960 3.869 3.172) 5.374 11.147 ( -2.371 -3.862 5.913) 7.450 11.147 ( -2.371 3.862 5.913) 7.450 11.451 ( 6.098 -2.727 0.478) 6.697 11.451 ( 6.098 2.727 0.478) 6.697 11.838 ( 0.410 -1.628 0.345) 1.714 11.838 ( 0.410 1.628 0.345) 1.714 12.142 ( 6.927 -2.139 1.072) 7.329 12.142 ( 6.927 2.139 1.072) 7.329 12.308 ( 13.782 -9.850 -0.910) 16.964 12.308 ( 13.782 9.850 -0.910) 16.964 12.637 ( 5.823 -7.737 1.310) 9.772 12.637 ( 5.823 7.737 1.310) 9.772 12.777 ( -4.618 -1.255 -4.711) 6.715 12.777 ( -4.618 1.255 -4.711) 6.715 13.491 ( 8.436 -6.063 -2.215) 10.622 13.491 ( 8.436 6.063 -2.215) 10.622 13.869 ( 0.061 -3.372 -4.102) 5.311 13.869 ( 0.061 3.372 -4.102) 5.311 14.133 ( -3.565 -12.924 -0.752) 13.428 14.133 ( -3.565 12.924 -0.752) 13.428 14.225 ( 2.602 -0.259 -0.353) 2.639 14.225 ( 2.602 0.259 -0.353) 2.639 14.553 ( -4.183 -3.931 -5.246) 7.776 14.553 ( -4.183 3.931 -5.246) 7.776 14.808 ( -3.525 -5.782 2.375) 7.176 14.808 ( -3.525 5.782 2.375) 7.176 15.184 ( 2.746 -9.806 2.988) 10.613 15.184 ( 2.746 9.806 2.988) 10.613 15.373 ( -6.415 -5.309 -1.034) 8.391 15.373 ( -6.415 5.309 -1.034) 8.391 15.603 ( 3.292 -7.974 -6.744) 10.950 15.603 ( 3.292 7.974 -6.744) 10.950 15.939 ( -0.839 -4.271 0.131) 4.354 15.939 ( -0.839 4.271 0.131) 4.354 16.149 ( 2.419 -0.937 1.603) 3.050 16.149 ( 2.419 0.937 1.603) 3.050 16.353 ( -1.939 -4.484 -5.813) 7.593 16.353 ( -1.939 4.484 -5.813) 7.593 16.610 ( -4.273 -8.306 4.102) 10.202 16.610 ( -4.273 8.306 4.102) 10.202 16.980 ( 2.818 -11.725 6.944) 13.915 16.980 ( 2.818 11.725 6.944) 13.915 17.522 ( 4.109 -3.952 4.983) 7.572 17.522 ( 4.109 3.952 4.983) 7.572 17.785 ( 0.858 -4.042 3.367) 5.330 17.785 ( 0.858 4.042 3.367) 5.330 18.819 ( -2.482 -1.785 -1.358) 3.346 18.819 ( -2.482 1.785 -1.358) 3.346 19.240 ( 0.032 -2.505 -2.590) 3.604 19.240 ( 0.032 2.505 -2.590) 3.604 19.479 ( 2.705 -0.678 0.812) 2.904 19.479 ( 2.705 0.678 0.812) 2.904 19.830 ( 0.481 -1.176 1.925) 2.307 19.830 ( 0.481 1.176 1.925) 2.307 20.953 ( 0.986 -1.934 -9.025) 9.283 20.953 ( 0.986 1.934 -9.025) 9.283 21.283 ( -2.589 -0.880 -3.271) 4.263 21.283 ( -2.589 0.880 -3.271) 4.263 23.888 ( 0.341 -3.420 0.123) 3.439 23.888 ( 0.341 3.420 0.123) 3.439 24.498 ( -1.432 -3.467 -7.075) 8.008 24.498 ( -1.432 3.467 -7.075) 8.008 24.879 ( -0.065 -4.393 -2.480) 5.046 24.879 ( -0.065 4.393 -2.480) 5.046 25.520 ( 5.645 -1.900 -0.912) 6.026 25.520 ( 5.645 1.900 -0.912) 6.026 25.819 ( -3.843 -1.537 15.052) 15.611 25.819 ( -3.843 1.537 15.052) 15.611 26.568 ( -3.196 -3.574 6.751) 8.280 26.568 ( -3.196 3.574 6.751) 8.280 27.548 ( 6.550 -7.796 -3.702) 10.834 27.548 ( 6.550 7.796 -3.702) 10.834 28.142 ( -6.827 -2.550 -0.229) 7.291 28.142 ( -6.827 2.550 -0.229) 7.291 28.909 ( -3.358 -4.627 3.767) 6.847 28.909 ( -3.358 4.627 3.767) 6.847 29.666 ( -1.306 -2.646 -5.824) 6.528 29.666 ( -1.306 2.646 -5.824) 6.528 29.868 ( 8.270 -5.197 6.988) 12.010 29.868 ( 8.270 5.197 6.988) 12.010 30.101 ( -1.013 -4.959 -4.829) 6.995 30.101 ( -1.013 4.959 -4.829) 6.995 31.552 ( 4.377 -1.572 0.802) 4.720 31.552 ( 4.377 1.572 0.802) 4.720 31.701 ( 1.829 -1.798 -0.650) 2.645 31.701 ( 1.829 1.798 -0.650) 2.645 32.302 ( -4.771 -5.513 -1.727) 7.492 32.302 ( -4.771 5.513 -1.727) 7.492 32.564 ( -4.429 -5.005 1.387) 6.826 32.564 ( -4.429 5.005 1.387) 6.826 33.662 ( -0.026 -6.799 1.094) 6.887 33.662 ( -0.026 6.799 1.094) 6.887 33.929 ( 2.157 -3.508 -0.752) 4.186 33.929 ( 2.157 3.508 -0.752) 4.186 34.222 ( -1.863 -4.567 -2.150) 5.381 34.222 ( -1.863 4.567 -2.150) 5.381 34.452 ( 0.457 -4.944 2.253) 5.452 34.452 ( 0.457 4.944 2.253) 5.452 35.715 ( 1.133 -6.188 0.651) 6.324 35.715 ( 1.133 6.188 0.651) 6.324 35.967 ( 0.476 -9.903 -2.915) 10.334 35.967 ( 0.476 9.903 -2.915) 10.334 91.251 ( 0.133 -3.719 2.576) 4.526 91.251 ( 0.133 3.719 2.576) 4.526 91.303 ( -0.073 -4.279 1.234) 4.454 91.303 ( -0.073 4.279 1.234) 4.454 94.006 ( -0.390 -5.566 1.476) 5.772 94.006 ( -0.390 5.566 1.476) 5.772 94.185 ( 0.477 -11.665 2.063) 11.856 94.185 ( 0.477 11.665 2.063) 11.856 94.938 ( 1.234 -6.120 -7.157) 9.497 94.938 ( 1.234 6.120 -7.157) 9.497 95.575 ( -1.542 -11.380 4.495) 12.333 95.575 ( -1.542 11.380 4.495) 12.333 98.045 ( -0.744 -0.939 1.584) 1.986 98.045 ( -0.744 0.939 1.584) 1.986 99.233 ( -1.125 -2.244 -1.348) 2.849 99.233 ( -1.125 2.244 -1.348) 2.849 102.484 ( 0.127 -0.133 -0.004) 0.184 102.484 ( 0.127 0.133 -0.004) 0.184 102.949 ( -0.120 -1.363 -0.092) 1.371 102.949 ( -0.120 1.363 -0.092) 1.371 107.588 ( 0.186 -0.301 -0.066) 0.360 107.588 ( 0.186 0.301 -0.066) 0.360 107.754 ( 0.416 -0.625 0.021) 0.751 107.754 ( 0.416 0.625 0.021) 0.751 ======================= Grid point 51 (29/126) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( -23.717 -15.288 0.847) 28.230 2.673 ( -23.717 15.288 0.847) 28.230 3.555 ( -18.825 -10.419 4.933) 22.074 3.555 ( -18.825 10.419 4.933) 22.074 4.332 ( 2.062 -21.231 8.728) 23.047 4.332 ( 2.062 21.231 8.728) 23.047 5.220 ( -5.224 -20.656 -3.804) 21.644 5.220 ( -5.224 20.656 -3.804) 21.644 5.819 ( -4.688 -12.700 -7.486) 15.469 5.819 ( -4.688 12.700 -7.486) 15.469 6.251 ( -5.429 -8.649 -1.396) 10.306 6.251 ( -5.429 8.649 -1.396) 10.306 7.099 ( 12.605 -5.304 -2.883) 13.976 7.099 ( 12.605 5.304 -2.883) 13.976 7.213 ( 19.211 -6.909 -0.192) 20.417 7.213 ( 19.211 6.909 -0.192) 20.417 7.319 ( 10.853 -0.700 0.786) 10.904 7.319 ( 10.853 0.700 0.786) 10.904 7.568 ( 27.004 -17.205 0.615) 32.025 7.568 ( 27.004 17.205 0.615) 32.025 7.921 ( 6.201 -4.764 -3.296) 8.486 7.921 ( 6.201 4.764 -3.296) 8.486 8.036 ( 0.040 -1.899 -0.830) 2.073 8.036 ( 0.040 1.899 -0.830) 2.073 8.408 ( 2.245 -7.280 3.969) 8.590 8.408 ( 2.245 7.280 3.969) 8.590 8.480 ( -1.897 -19.802 0.551) 19.900 8.480 ( -1.897 19.802 0.551) 19.900 8.627 ( -6.373 -3.073 1.441) 7.221 8.627 ( -6.373 3.073 1.441) 7.221 8.760 ( 0.644 -5.378 0.914) 5.493 8.760 ( 0.644 5.378 0.914) 5.493 9.081 ( -6.124 -12.619 -4.452) 14.716 9.081 ( -6.124 12.619 -4.452) 14.716 9.553 ( -9.844 -7.917 0.470) 12.641 9.553 ( -9.844 7.917 0.470) 12.641 9.703 ( -13.720 -5.009 -1.075) 14.645 9.703 ( -13.720 5.009 -1.075) 14.645 10.218 ( -22.822 -4.297 1.275) 23.258 10.218 ( -22.822 4.297 1.275) 23.258 11.034 ( 1.334 -1.939 0.838) 2.499 11.034 ( 1.334 1.939 0.838) 2.499 11.197 ( -2.208 -3.797 6.031) 7.461 11.197 ( -2.208 3.797 6.031) 7.461 11.568 ( 8.569 -4.836 0.849) 9.876 11.568 ( 8.569 4.836 0.849) 9.876 11.802 ( -4.091 -3.784 -0.975) 5.657 11.802 ( -4.091 3.784 -0.975) 5.657 12.262 ( 6.769 -2.342 1.809) 7.387 12.262 ( 6.769 2.342 1.809) 7.387 12.402 ( 2.161 -5.178 -0.611) 5.644 12.402 ( 2.161 5.178 -0.611) 5.644 12.609 ( -5.888 -2.547 -4.215) 7.676 12.609 ( -5.888 2.547 -4.215) 7.676 12.890 ( 16.455 -9.890 4.578) 19.737 12.890 ( 16.455 9.890 4.578) 19.737 13.590 ( 7.524 -3.767 -3.250) 9.020 13.590 ( 7.524 3.767 -3.250) 9.020 13.800 ( -3.556 -4.698 -2.007) 6.224 13.800 ( -3.556 4.698 -2.007) 6.224 14.017 ( -8.135 -10.768 -2.036) 13.648 14.017 ( -8.135 10.768 -2.036) 13.648 14.225 ( 0.097 -1.812 -4.064) 4.451 14.225 ( 0.097 1.812 -4.064) 4.451 14.454 ( -0.335 -4.559 -1.567) 4.832 14.454 ( -0.335 4.559 -1.567) 4.832 14.827 ( 1.096 -7.674 2.419) 8.121 14.827 ( 1.096 7.674 2.419) 8.121 15.130 ( -7.332 -3.887 -3.285) 8.925 15.130 ( -7.332 3.887 -3.285) 8.925 15.379 ( 0.804 -9.042 4.496) 10.130 15.379 ( 0.804 9.042 4.496) 10.130 15.611 ( 4.774 -8.026 -0.389) 9.346 15.611 ( 4.774 8.026 -0.389) 9.346 15.877 ( -4.157 -1.903 -3.446) 5.725 15.877 ( -4.157 1.903 -3.446) 5.725 16.186 ( 0.210 -1.324 -0.260) 1.365 16.186 ( 0.210 1.324 -0.260) 1.365 16.295 ( 1.482 -4.016 -2.180) 4.803 16.295 ( 1.482 4.016 -2.180) 4.803 16.632 ( 0.071 -6.218 3.135) 6.964 16.632 ( 0.071 6.218 3.135) 6.964 17.070 ( 0.162 -9.908 3.396) 10.475 17.070 ( 0.162 9.908 3.396) 10.475 17.594 ( 1.593 -2.085 1.549) 3.047 17.594 ( 1.593 2.085 1.549) 3.047 17.866 ( 1.291 -3.141 4.913) 5.972 17.866 ( 1.291 3.141 4.913) 5.972 18.770 ( -1.593 -1.329 -1.294) 2.446 18.770 ( -1.593 1.330 -1.294) 2.446 19.222 ( 0.779 -3.639 -1.503) 4.013 19.222 ( 0.779 3.639 -1.503) 4.013 19.564 ( 4.568 -0.759 4.063) 6.160 19.564 ( 4.568 0.759 4.063) 6.160 19.812 ( -2.904 -1.576 -2.001) 3.863 19.812 ( -2.904 1.576 -2.001) 3.863 20.832 ( -1.173 -5.211 -7.804) 9.457 20.832 ( -1.173 5.211 -7.804) 9.457 21.233 ( -0.451 -5.242 -1.604) 5.500 21.233 ( -0.451 5.242 -1.604) 5.500 23.891 ( -0.114 -3.187 0.119) 3.192 23.891 ( -0.114 3.187 0.119) 3.192 24.403 ( -0.547 -1.823 -5.525) 5.843 24.403 ( -0.547 1.823 -5.525) 5.843 24.896 ( 1.694 -5.284 2.376) 6.036 24.896 ( 1.694 5.284 2.376) 6.036 25.578 ( 4.768 -2.871 -1.990) 5.910 25.578 ( 4.768 2.871 -1.990) 5.910 25.850 ( -7.606 -3.139 5.546) 9.923 25.850 ( -7.606 3.139 5.546) 9.923 26.691 ( 1.629 -5.525 10.867) 12.300 26.691 ( 1.629 5.525 10.867) 12.300 27.485 ( -0.479 -3.596 -9.629) 10.290 27.485 ( -0.479 3.596 -9.629) 10.290 28.132 ( -0.181 -4.480 3.715) 5.823 28.132 ( -0.181 4.480 3.715) 5.823 28.935 ( -2.025 -5.015 6.151) 8.190 28.935 ( -2.025 5.015 6.151) 8.190 29.556 ( -1.150 -4.138 -6.955) 8.175 29.556 ( -1.150 4.138 -6.955) 8.175 29.976 ( -1.085 -10.391 -2.292) 10.696 29.976 ( -1.085 10.391 -2.292) 10.696 30.106 ( 5.409 -6.731 3.443) 9.296 30.106 ( 5.409 6.731 3.443) 9.296 31.620 ( 3.094 -1.842 0.402) 3.623 31.620 ( 3.094 1.842 0.402) 3.623 31.727 ( 2.539 -0.518 -0.160) 2.596 31.727 ( 2.539 0.518 -0.160) 2.596 32.213 ( -4.412 -3.869 -1.168) 5.983 32.213 ( -4.412 3.869 -1.168) 5.983 32.521 ( -3.169 -2.667 0.913) 4.241 32.521 ( -3.169 2.667 0.913) 4.241 33.665 ( -0.484 -3.434 0.224) 3.475 33.665 ( -0.484 3.434 0.224) 3.475 33.962 ( 2.440 -4.077 0.302) 4.761 33.962 ( 2.440 4.077 0.302) 4.761 34.169 ( -1.859 -6.102 -1.713) 6.605 34.169 ( -1.859 6.102 -1.713) 6.605 34.474 ( -0.169 -4.114 0.979) 4.232 34.474 ( -0.169 4.114 0.979) 4.232 35.738 ( 0.703 -6.303 0.588) 6.369 35.738 ( 0.703 6.303 0.588) 6.369 35.943 ( 0.635 -7.973 -1.992) 8.243 35.943 ( 0.635 7.973 -1.992) 8.243 91.281 ( 0.140 -3.827 1.694) 4.188 91.281 ( 0.140 3.827 1.694) 4.188 91.317 ( -0.116 -1.666 0.950) 1.922 91.317 ( -0.116 1.666 0.950) 1.922 94.006 ( -0.758 -6.078 0.297) 6.132 94.006 ( -0.758 6.078 0.297) 6.132 94.232 ( 0.938 -12.555 2.982) 12.938 94.232 ( 0.938 12.555 2.982) 12.938 94.866 ( 0.575 -5.521 -5.624) 7.902 94.866 ( 0.575 5.521 -5.624) 7.902 95.603 ( -1.081 -5.353 2.794) 6.134 95.603 ( -1.081 5.353 2.794) 6.134 98.054 ( -0.508 -0.727 1.173) 1.471 98.054 ( -0.508 0.727 1.173) 1.471 99.203 ( -0.794 -1.775 -0.986) 2.180 99.203 ( -0.794 1.775 -0.986) 2.180 102.485 ( 0.080 -0.392 -0.013) 0.400 102.485 ( 0.080 0.392 -0.013) 0.400 102.946 ( -0.068 -0.832 -0.050) 0.837 102.946 ( -0.068 0.832 -0.050) 0.837 107.590 ( 0.123 -0.531 -0.052) 0.548 107.590 ( 0.123 0.531 -0.052) 0.548 107.759 ( 0.298 -0.512 0.021) 0.593 107.759 ( 0.298 0.512 0.021) 0.593 ======================= Grid point 53 (30/126) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 0.000 -5.083 0.000) 5.083 2.498 ( 0.000 5.083 0.000) 5.083 3.444 ( 0.000 -2.282 0.000) 2.282 3.444 ( 0.000 2.283 0.000) 2.283 4.425 ( 0.000 -15.386 0.000) 15.386 4.425 ( 0.000 15.386 0.000) 15.386 5.153 ( 0.000 -21.007 0.000) 21.007 5.153 ( 0.000 21.007 0.000) 21.007 5.723 ( 0.000 -17.891 0.000) 17.891 5.723 ( 0.000 17.891 0.000) 17.891 6.200 ( 0.000 -6.978 0.000) 6.978 6.200 ( 0.000 6.978 0.000) 6.978 7.114 ( 0.000 -5.792 0.000) 5.792 7.114 ( 0.000 5.792 0.000) 5.792 7.334 ( 0.000 -3.037 0.000) 3.037 7.334 ( 0.000 3.037 0.000) 3.037 7.477 ( 0.000 -2.239 0.000) 2.239 7.477 ( -0.000 2.239 0.000) 2.239 7.812 ( 0.000 -5.497 0.000) 5.497 7.812 ( -0.000 5.497 0.000) 5.497 7.935 ( -0.000 -2.742 0.000) 2.742 7.935 ( -0.000 2.742 0.000) 2.742 8.146 ( 0.000 -10.992 0.000) 10.992 8.146 ( -0.000 10.992 0.000) 10.992 8.309 ( 0.000 -14.266 0.000) 14.266 8.309 ( 0.000 14.266 0.000) 14.266 8.431 ( 0.000 -9.636 0.000) 9.636 8.431 ( 0.000 9.636 0.000) 9.636 8.712 ( 0.000 -7.835 0.000) 7.835 8.712 ( 0.000 7.835 0.000) 7.835 8.768 ( -0.000 -5.670 -0.000) 5.670 8.768 ( 0.000 5.670 -0.000) 5.670 8.965 ( -0.000 -3.575 -0.000) 3.575 8.965 ( -0.000 3.575 0.000) 3.575 9.375 ( 0.000 -7.173 0.000) 7.173 9.375 ( 0.000 7.173 0.000) 7.173 9.677 ( 0.000 -3.201 0.000) 3.201 9.677 ( -0.000 3.201 0.000) 3.201 10.044 ( 0.000 -2.811 0.000) 2.811 10.044 ( -0.000 2.811 0.000) 2.811 11.048 ( 0.000 -1.812 0.000) 1.812 11.048 ( 0.000 1.812 0.000) 1.812 11.220 ( 0.000 -2.219 0.000) 2.219 11.220 ( 0.000 2.219 0.000) 2.219 11.692 ( -0.000 -4.608 0.000) 4.608 11.692 ( 0.000 4.608 0.000) 4.608 11.713 ( -0.000 -1.831 -0.000) 1.831 11.713 ( 0.000 1.831 0.000) 1.831 12.351 ( 0.000 -1.716 0.000) 1.716 12.351 ( 0.000 1.716 0.000) 1.716 12.396 ( 0.000 -0.643 0.000) 0.643 12.396 ( -0.000 0.643 0.000) 0.643 12.524 ( -0.000 -0.192 -0.000) 0.192 12.524 ( -0.000 0.192 -0.000) 0.192 13.088 ( 0.000 -0.736 0.000) 0.736 13.088 ( -0.000 0.736 0.000) 0.736 13.590 ( 0.000 -0.343 0.000) 0.343 13.590 ( 0.000 0.343 0.000) 0.343 13.764 ( 0.000 -5.937 0.000) 5.937 13.764 ( 0.000 5.937 0.000) 5.937 13.929 ( -0.000 -11.063 0.000) 11.063 13.929 ( -0.000 11.063 0.000) 11.063 14.188 ( 0.000 -1.105 0.000) 1.105 14.188 ( 0.000 1.105 0.000) 1.105 14.459 ( 0.000 -3.809 0.000) 3.809 14.459 ( 0.000 3.809 0.000) 3.809 14.867 ( 0.000 -10.986 0.000) 10.986 14.867 ( 0.000 10.986 0.000) 10.986 15.029 ( -0.000 -1.282 0.000) 1.282 15.029 ( 0.000 1.282 0.000) 1.282 15.413 ( -0.000 -6.822 0.000) 6.822 15.413 ( 0.000 6.822 0.000) 6.822 15.689 ( 0.000 -0.204 0.000) 0.204 15.689 ( 0.000 0.204 0.000) 0.204 15.785 ( -0.000 -1.179 0.000) 1.179 15.785 ( 0.000 1.179 0.000) 1.179 16.175 ( 0.000 -1.344 0.000) 1.344 16.175 ( 0.000 1.344 -0.000) 1.344 16.302 ( 0.000 -0.002 0.000) 0.002 16.302 ( 0.000 0.002 0.000) 0.002 16.658 ( -0.000 -3.838 0.000) 3.838 16.658 ( 0.000 3.838 -0.000) 3.838 17.087 ( 0.000 -7.472 0.000) 7.472 17.087 ( 0.000 7.472 0.000) 7.472 17.617 ( 0.000 -3.802 0.000) 3.802 17.617 ( 0.000 3.802 0.000) 3.802 17.911 ( 0.000 -2.155 0.000) 2.155 17.911 ( 0.000 2.155 0.000) 2.155 18.749 ( 0.000 -0.351 0.000) 0.351 18.749 ( 0.000 0.351 0.000) 0.351 19.218 ( 0.000 -4.110 0.000) 4.110 19.218 ( 0.000 4.110 0.000) 4.110 19.685 ( 0.000 -4.270 0.000) 4.270 19.685 ( 0.000 4.270 0.000) 4.270 19.718 ( 0.000 -4.852 0.000) 4.852 19.718 ( 0.000 4.852 0.000) 4.852 20.768 ( 0.000 -7.117 0.000) 7.117 20.768 ( 0.000 7.117 0.000) 7.117 21.220 ( 0.000 -7.083 0.000) 7.083 21.220 ( 0.000 7.083 0.000) 7.083 23.890 ( 0.000 -2.738 0.000) 2.738 23.890 ( 0.000 2.738 0.000) 2.738 24.360 ( 0.000 -1.215 0.000) 1.215 24.360 ( 0.000 1.215 0.000) 1.215 24.935 ( 0.000 -4.933 0.000) 4.933 24.935 ( 0.000 4.933 0.000) 4.933 25.599 ( -0.000 -0.615 0.000) 0.615 25.599 ( 0.000 0.615 0.000) 0.615 25.820 ( 0.000 -3.481 0.000) 3.481 25.820 ( 0.000 3.481 0.000) 3.481 26.788 ( 0.000 -5.667 0.000) 5.667 26.788 ( 0.000 5.667 0.000) 5.667 27.403 ( 0.000 -6.237 0.000) 6.237 27.403 ( 0.000 6.237 0.000) 6.237 28.161 ( 0.000 -3.602 0.000) 3.602 28.161 ( 0.000 3.602 0.000) 3.602 28.970 ( 0.000 -4.616 0.000) 4.616 28.970 ( 0.000 4.616 0.000) 4.616 29.496 ( 0.000 -5.699 -0.000) 5.699 29.496 ( 0.000 5.699 0.000) 5.699 29.940 ( 0.000 -10.911 0.000) 10.911 29.940 ( 0.000 10.911 0.000) 10.911 30.180 ( 0.000 -7.306 -0.000) 7.306 30.180 ( 0.000 7.306 0.000) 7.306 31.643 ( 0.000 -1.420 -0.000) 1.420 31.643 ( 0.000 1.420 0.000) 1.420 31.752 ( -0.000 -1.401 0.000) 1.401 31.752 ( 0.000 1.401 0.000) 1.401 32.168 ( 0.000 -3.356 0.000) 3.356 32.168 ( 0.000 3.356 0.000) 3.356 32.503 ( 0.000 -1.725 0.000) 1.725 32.503 ( 0.000 1.725 0.000) 1.725 33.662 ( 0.000 -2.192 0.000) 2.192 33.662 ( 0.000 2.192 0.000) 2.192 33.987 ( -0.000 -4.338 0.000) 4.338 33.987 ( 0.000 4.338 0.000) 4.338 34.140 ( 0.000 -6.654 0.000) 6.654 34.140 ( 0.000 6.654 0.000) 6.654 34.478 ( 0.000 -3.629 0.000) 3.629 34.478 ( 0.000 3.629 0.000) 3.629 35.747 ( 0.000 -6.181 0.000) 6.181 35.747 ( 0.000 6.181 -0.000) 6.181 35.935 ( 0.000 -7.293 0.000) 7.293 35.935 ( 0.000 7.293 -0.000) 7.293 91.294 ( 0.000 -9.473 0.000) 9.473 91.294 ( 0.000 9.473 0.000) 9.473 91.322 ( 0.000 -7.114 0.000) 7.114 91.322 ( 0.000 7.114 0.000) 7.114 94.001 ( 0.000 -6.376 0.000) 6.376 94.001 ( 0.000 6.376 0.000) 6.376 94.263 ( 0.000 -13.011 0.000) 13.011 94.263 ( 0.000 13.011 0.000) 13.011 94.831 ( 0.000 -2.787 0.000) 2.787 94.831 ( 0.000 2.787 0.000) 2.787 95.613 ( 0.000 -2.234 0.000) 2.234 95.613 ( 0.000 2.234 0.000) 2.234 98.058 ( 0.000 -0.562 0.000) 0.562 98.058 ( 0.000 0.562 0.000) 0.562 99.190 ( 0.000 -1.215 0.000) 1.215 99.190 ( 0.000 1.215 -0.000) 1.215 102.486 ( 0.000 -0.498 0.000) 0.498 102.486 ( 0.000 0.498 0.000) 0.498 102.946 ( 0.000 -0.415 0.000) 0.415 102.946 ( 0.000 0.415 0.000) 0.415 107.590 ( 0.000 -0.623 0.000) 0.623 107.590 ( 0.000 0.623 0.000) 0.623 107.762 ( 0.000 -0.470 0.000) 0.470 107.762 ( 0.000 0.470 0.000) 0.470 ======================= Grid point 99 (31/126) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( -7.106 0.000 20.402) 21.604 0.430 ( -11.859 0.000 20.688) 23.846 1.487 ( 7.925 0.000 56.329) 56.883 1.582 ( 2.809 0.000 -9.986) 10.373 1.678 ( 4.025 0.000 1.467) 4.285 3.659 ( -0.605 0.000 5.428) 5.462 3.739 ( 1.101 0.000 6.290) 6.386 4.294 ( 17.011 0.000 -7.832) 18.727 5.000 ( -26.951 0.000 16.920) 31.822 5.731 ( 1.422 0.000 -19.188) 19.241 5.961 ( -7.950 0.000 -13.509) 15.674 6.388 ( 13.856 0.000 -13.902) 19.628 6.998 ( 11.479 0.000 2.789) 11.813 7.171 ( -8.146 0.000 2.623) 8.558 7.272 ( -1.798 0.000 -1.211) 2.168 7.289 ( 3.477 0.000 0.810) 3.570 7.383 ( -7.222 0.000 -4.815) 8.680 7.523 ( -2.147 0.000 0.943) 2.345 7.684 ( 2.656 0.000 -10.898) 11.217 7.752 ( 4.675 0.000 -9.897) 10.945 7.823 ( 10.475 0.000 10.973) 15.170 8.087 ( -10.560 0.000 4.315) 11.407 8.118 ( -1.188 0.000 2.252) 2.546 8.330 ( 0.137 0.000 -2.957) 2.960 8.481 ( 4.781 0.000 1.698) 5.074 8.556 ( -3.930 0.000 4.875) 6.262 8.613 ( 9.243 0.000 -0.061) 9.243 8.783 ( -6.657 0.000 0.249) 6.662 8.786 ( -0.933 0.000 1.652) 1.898 9.037 ( 7.624 0.000 -1.207) 7.719 9.044 ( -6.962 0.000 -4.514) 8.298 9.192 ( -0.824 0.000 -3.354) 3.454 9.425 ( 0.258 0.000 1.053) 1.084 9.522 ( -4.628 0.000 -5.125) 6.905 9.974 ( -2.105 0.000 9.411) 9.643 10.163 ( 7.432 0.000 0.861) 7.482 10.331 ( -5.385 0.000 6.946) 8.789 10.401 ( 0.880 0.000 5.095) 5.171 10.710 ( -1.071 0.000 1.942) 2.218 10.788 ( 3.958 0.000 -0.592) 4.002 10.849 ( -6.750 0.000 1.943) 7.025 10.946 ( 5.413 0.000 -0.731) 5.462 11.124 ( 6.148 0.000 -1.105) 6.247 11.218 ( 0.102 0.000 -3.456) 3.457 11.646 ( 0.285 0.000 3.312) 3.324 11.675 ( -2.130 0.000 4.579) 5.051 11.686 ( 11.922 0.000 3.493) 12.424 11.886 ( 3.153 0.000 2.309) 3.908 12.075 ( -1.253 0.000 -2.462) 2.762 12.124 ( 1.355 0.000 -1.008) 1.689 12.353 ( -3.855 0.000 1.316) 4.074 12.402 ( 4.074 0.000 -3.173) 5.163 12.612 ( 6.579 0.000 1.631) 6.779 12.717 ( 2.285 0.000 -1.385) 2.672 12.827 ( 13.199 0.000 0.282) 13.202 12.955 ( -6.264 0.000 -10.523) 12.246 13.041 ( -1.831 0.000 -7.633) 7.850 13.114 ( -4.564 0.000 -5.838) 7.411 13.215 ( 13.058 0.000 0.660) 13.075 13.381 ( 0.250 0.000 4.533) 4.540 13.480 ( -5.597 0.000 4.959) 7.478 13.483 ( -3.498 0.000 -3.814) 5.175 13.737 ( 0.723 0.000 1.939) 2.070 13.783 ( -4.604 0.000 0.728) 4.661 14.689 ( 5.439 0.000 -2.403) 5.946 14.751 ( -4.274 0.000 -3.392) 5.457 14.889 ( -5.963 0.000 -3.406) 6.867 14.932 ( 1.353 0.000 -2.563) 2.898 15.207 ( -9.785 0.000 2.992) 10.232 15.300 ( -1.492 0.000 -0.185) 1.503 15.382 ( 1.756 0.000 -1.676) 2.428 15.461 ( 5.439 0.000 -3.335) 6.380 15.696 ( 4.207 0.000 0.718) 4.268 15.742 ( -9.937 0.000 -3.695) 10.602 15.788 ( -14.129 0.000 -6.010) 15.354 16.000 ( -10.723 0.000 -6.704) 12.646 16.102 ( -1.352 0.000 -4.599) 4.793 16.174 ( -0.561 0.000 -2.473) 2.536 16.471 ( -0.438 0.000 13.896) 13.903 16.497 ( 1.627 0.000 2.483) 2.969 16.715 ( 4.949 0.000 9.471) 10.686 16.724 ( -8.342 0.000 4.122) 9.305 16.887 ( -23.189 0.000 13.901) 27.037 16.906 ( 15.204 0.000 9.744) 18.058 17.835 ( 2.868 0.000 -1.563) 3.266 17.922 ( -1.829 0.000 0.978) 2.074 18.110 ( 1.423 0.000 -8.831) 8.945 18.311 ( -12.970 0.000 -3.123) 13.341 18.589 ( 2.204 0.000 -1.955) 2.946 18.590 ( -10.653 0.000 -1.448) 10.751 18.631 ( 1.027 0.000 -2.610) 2.805 18.717 ( -0.800 0.000 -3.036) 3.139 19.560 ( 1.555 0.000 1.933) 2.481 19.569 ( -1.958 0.000 1.836) 2.684 20.498 ( 3.672 0.000 4.226) 5.598 20.683 ( 4.349 0.000 -2.855) 5.202 20.872 ( -2.433 0.000 -4.367) 4.999 21.012 ( -4.617 0.000 -8.456) 9.634 21.585 ( 45.349 0.000 4.751) 45.597 22.049 ( -4.732 0.000 -5.179) 7.015 23.612 ( 2.205 0.000 0.948) 2.400 23.972 ( -0.077 0.000 -15.497) 15.497 24.472 ( 16.267 0.000 4.033) 16.759 24.523 ( -6.560 0.000 3.806) 7.584 24.724 ( 16.676 0.000 7.889) 18.448 25.114 ( 1.143 0.000 6.191) 6.295 25.165 ( 1.158 0.000 3.068) 3.279 25.317 ( 6.412 0.000 3.762) 7.434 25.613 ( 7.690 0.000 -7.464) 10.717 25.708 ( -10.247 0.000 -4.797) 11.314 26.304 ( -1.944 0.000 19.802) 19.897 27.130 ( 35.826 0.000 -10.011) 37.198 27.182 ( 2.336 0.000 6.816) 7.205 27.562 ( 1.138 0.000 -2.035) 2.331 27.821 ( -13.446 0.000 -14.473) 19.756 27.914 ( 9.660 0.000 9.703) 13.692 28.894 ( 7.047 0.000 10.000) 12.234 28.942 ( -12.689 0.000 -12.893) 18.090 29.431 ( 0.576 0.000 -5.024) 5.057 29.531 ( -29.100 0.000 7.315) 30.005 29.591 ( -4.247 0.000 -2.423) 4.889 29.793 ( 0.934 0.000 2.361) 2.539 29.902 ( -8.214 0.000 4.918) 9.574 30.227 ( 1.972 0.000 -3.950) 4.415 31.516 ( -11.080 0.000 -1.662) 11.204 31.638 ( 4.491 0.000 -2.649) 5.214 31.729 ( 12.159 0.000 7.412) 14.240 32.084 ( -4.542 0.000 -1.699) 4.850 32.192 ( 0.971 0.000 0.830) 1.277 32.228 ( -1.559 0.000 -0.468) 1.628 32.805 ( -0.037 0.000 4.862) 4.862 33.094 ( 6.501 0.000 -2.335) 6.908 33.186 ( 2.909 0.000 1.228) 3.158 33.304 ( -0.264 0.000 -1.597) 1.619 33.729 ( 1.155 0.000 -0.688) 1.344 33.842 ( -3.581 0.000 3.294) 4.866 33.847 ( 1.614 0.000 -1.096) 1.951 33.860 ( 4.142 0.000 1.101) 4.286 34.442 ( -1.489 0.000 -1.505) 2.117 34.669 ( -3.410 0.000 2.389) 4.163 34.732 ( 4.127 0.000 -7.316) 8.400 34.874 ( 1.952 0.000 -2.066) 2.842 35.895 ( 0.156 0.000 6.165) 6.167 36.388 ( 0.730 0.000 -4.845) 4.900 90.924 ( 0.539 0.000 0.313) 0.624 91.005 ( -1.215 0.000 -1.194) 1.704 91.731 ( 1.932 0.000 6.886) 7.152 92.178 ( -4.983 0.000 -3.376) 6.019 93.558 ( -0.597 0.000 -0.089) 0.604 93.580 ( 0.151 0.000 -1.199) 1.209 94.293 ( -1.902 0.000 6.838) 7.097 94.827 ( -0.180 0.000 -5.389) 5.392 94.882 ( -0.356 0.000 7.122) 7.131 95.448 ( 2.719 0.000 -4.855) 5.564 97.823 ( -1.448 0.000 0.595) 1.566 97.897 ( 18.300 0.000 -0.940) 18.324 98.081 ( 0.746 0.000 0.189) 0.770 98.127 ( -0.635 0.000 -0.721) 0.961 99.672 ( 0.690 0.000 0.908) 1.141 99.732 ( 5.777 0.000 -0.388) 5.790 102.387 ( 0.364 0.000 0.158) 0.397 102.405 ( -0.397 0.000 -0.247) 0.467 102.560 ( 7.284 0.000 0.577) 7.307 102.613 ( -0.935 0.000 -0.583) 1.102 107.582 ( 0.662 0.000 -0.093) 0.668 107.587 ( -0.979 0.000 -0.272) 1.016 107.750 ( -3.077 0.000 1.196) 3.301 107.845 ( 0.298 0.000 -0.940) 0.986 ======================= Grid point 100 (32/126) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 28.458 0.000 14.363) 31.878 1.242 ( 63.175 0.000 10.650) 64.067 1.640 ( 21.457 0.000 -14.002) 25.622 1.880 ( 51.803 0.000 -10.260) 52.809 2.506 ( 8.442 0.000 61.895) 62.468 3.672 ( -8.270 0.000 6.847) 10.737 3.720 ( -12.655 0.000 7.197) 14.559 4.155 ( -12.292 0.000 -15.793) 20.012 4.874 ( -17.367 0.000 1.487) 17.431 5.494 ( -20.098 0.000 -21.098) 29.138 5.693 ( 18.961 0.000 -2.474) 19.122 6.520 ( 25.146 0.000 -14.288) 28.922 6.841 ( -31.865 0.000 6.341) 32.490 6.996 ( -28.437 0.000 -10.047) 30.160 7.234 ( -5.560 0.000 0.289) 5.568 7.246 ( 2.842 0.000 1.317) 3.132 7.322 ( -3.932 0.000 2.005) 4.414 7.408 ( -10.041 0.000 0.025) 10.041 7.587 ( 2.096 0.000 -7.859) 8.134 7.663 ( 0.436 0.000 -6.999) 7.013 7.919 ( -13.969 0.000 0.348) 13.974 7.987 ( -5.947 0.000 5.337) 7.990 8.147 ( 0.985 0.000 6.648) 6.721 8.271 ( -2.940 0.000 -2.662) 3.967 8.451 ( -3.350 0.000 0.087) 3.351 8.643 ( 2.147 0.000 5.836) 6.219 8.704 ( -2.311 0.000 -1.873) 2.975 8.787 ( 10.307 0.000 0.118) 10.307 9.013 ( 19.736 0.000 3.961) 20.129 9.019 ( 10.094 0.000 -5.568) 11.528 9.189 ( 9.056 0.000 -4.748) 10.225 9.254 ( 20.475 0.000 0.529) 20.482 9.457 ( 4.067 0.000 -1.594) 4.369 9.498 ( 7.786 0.000 1.367) 7.905 10.040 ( -2.466 0.000 5.704) 6.215 10.294 ( 7.884 0.000 -0.617) 7.909 10.368 ( -0.961 0.000 7.638) 7.699 10.538 ( 7.783 0.000 3.461) 8.518 10.705 ( -2.356 0.000 1.684) 2.896 10.776 ( -5.914 0.000 1.464) 6.093 10.834 ( 3.167 0.000 -0.636) 3.230 11.017 ( 5.445 0.000 -0.984) 5.533 11.170 ( 1.331 0.000 -4.953) 5.129 11.193 ( 3.468 0.000 0.509) 3.506 11.689 ( -1.230 0.000 4.290) 4.462 11.697 ( -3.027 0.000 3.059) 4.303 11.804 ( 1.862 0.000 2.804) 3.366 11.922 ( -5.603 0.000 4.522) 7.200 11.986 ( -1.179 0.000 -5.683) 5.804 12.055 ( -5.707 0.000 -1.459) 5.890 12.271 ( -9.304 0.000 2.147) 9.548 12.414 ( 3.026 0.000 -4.477) 5.404 12.629 ( -6.376 0.000 -9.002) 11.032 12.653 ( 0.348 0.000 -0.266) 0.438 12.820 ( -3.363 0.000 -0.611) 3.418 12.836 ( -5.784 0.000 -2.686) 6.377 12.975 ( -0.533 0.000 -6.883) 6.904 13.041 ( 4.214 0.000 -5.973) 7.310 13.243 ( -1.478 0.000 -6.557) 6.721 13.437 ( 8.450 0.000 3.314) 9.077 13.456 ( 2.378 0.000 1.122) 2.629 13.566 ( 4.012 0.000 6.782) 7.880 13.740 ( -2.270 0.000 1.023) 2.490 13.750 ( -2.099 0.000 1.135) 2.386 14.598 ( -8.360 0.000 -3.370) 9.014 14.716 ( 0.658 0.000 -1.136) 1.312 14.773 ( -7.887 0.000 -0.122) 7.888 14.899 ( -1.499 0.000 -1.650) 2.229 15.084 ( -7.963 0.000 0.378) 7.972 15.236 ( -5.110 0.000 -0.026) 5.110 15.437 ( 4.253 0.000 0.088) 4.254 15.521 ( -2.461 0.000 -0.794) 2.586 15.556 ( 1.903 0.000 -5.782) 6.087 15.639 ( -4.294 0.000 -4.624) 6.310 15.800 ( 1.202 0.000 1.993) 2.327 15.868 ( -2.282 0.000 4.367) 4.927 16.105 ( 7.483 0.000 2.643) 7.937 16.172 ( 4.083 0.000 -4.399) 6.002 16.590 ( -1.189 0.000 5.563) 5.688 16.615 ( -1.864 0.000 11.108) 11.264 16.758 ( 2.805 0.000 8.997) 9.424 16.827 ( 3.681 0.000 5.773) 6.847 16.986 ( 8.285 0.000 2.791) 8.743 17.252 ( 15.776 0.000 6.410) 17.029 17.902 ( 3.681 0.000 5.721) 6.803 17.939 ( 2.436 0.000 1.708) 2.975 18.003 ( -3.897 0.000 -6.326) 7.430 18.108 ( -4.248 0.000 -7.525) 8.641 18.491 ( -2.560 0.000 -3.018) 3.958 18.639 ( 7.008 0.000 0.820) 7.056 18.659 ( -0.342 0.000 -4.453) 4.466 18.669 ( 4.725 0.000 0.476) 4.749 19.558 ( -2.391 0.000 1.550) 2.850 19.613 ( 1.367 0.000 2.775) 3.094 20.631 ( 4.377 0.000 5.934) 7.373 20.698 ( -3.468 0.000 -3.567) 4.975 20.784 ( -8.445 0.000 -11.242) 14.061 20.796 ( 5.107 0.000 -2.021) 5.492 21.778 ( -17.577 0.000 -13.712) 22.293 21.858 ( 3.456 0.000 3.571) 4.970 23.627 ( 0.177 0.000 0.533) 0.562 23.813 ( 0.830 0.000 -9.728) 9.763 24.396 ( -13.045 0.000 -1.969) 13.193 24.661 ( 0.666 0.000 10.277) 10.299 24.816 ( -1.874 0.000 -2.720) 3.303 25.159 ( -2.164 0.000 1.966) 2.924 25.184 ( -2.217 0.000 1.502) 2.677 25.460 ( -10.690 0.000 -6.422) 12.470 25.602 ( 18.329 0.000 7.044) 19.636 25.609 ( 5.899 0.000 -10.285) 11.857 26.396 ( -16.101 0.000 11.889) 20.015 27.218 ( -3.651 0.000 3.834) 5.294 27.287 ( -1.627 0.000 7.488) 7.663 27.472 ( -7.935 0.000 -3.704) 8.757 27.546 ( -4.425 0.000 -2.335) 5.004 27.906 ( -8.669 0.000 -7.758) 11.633 28.805 ( 1.528 0.000 3.961) 4.245 29.081 ( 7.081 0.000 0.059) 7.082 29.405 ( 2.455 0.000 0.479) 2.501 29.446 ( -0.248 0.000 -7.192) 7.196 29.602 ( 5.654 0.000 7.851) 9.675 29.846 ( 1.351 0.000 2.261) 2.633 30.044 ( 12.817 0.000 2.179) 13.001 30.301 ( 14.065 0.000 -3.414) 14.473 31.378 ( -7.244 0.000 1.394) 7.377 31.693 ( 5.710 0.000 -0.908) 5.782 31.956 ( -5.870 0.000 -6.261) 8.582 31.993 ( 11.449 0.000 6.516) 13.174 32.189 ( -2.123 0.000 -1.279) 2.479 32.198 ( -2.453 0.000 1.837) 3.065 32.812 ( -6.597 0.000 4.749) 8.129 32.993 ( -9.070 0.000 -3.680) 9.788 33.348 ( 7.959 0.000 -1.381) 8.078 33.350 ( 12.219 0.000 -5.481) 13.392 33.701 ( -1.954 0.000 -2.430) 3.118 33.817 ( -0.554 0.000 0.722) 0.911 33.827 ( -5.944 0.000 4.434) 7.415 33.971 ( 7.756 0.000 -3.148) 8.371 34.413 ( 0.307 0.000 -1.487) 1.519 34.681 ( 3.072 0.000 -7.039) 7.680 34.685 ( 1.796 0.000 2.145) 2.797 34.936 ( 8.552 0.000 -2.148) 8.818 35.967 ( -1.641 0.000 6.778) 6.974 36.309 ( -1.476 0.000 -6.426) 6.594 90.947 ( 1.068 0.000 1.401) 1.762 90.959 ( -2.064 0.000 -1.851) 2.773 91.863 ( 2.205 0.000 8.345) 8.631 92.054 ( -6.427 0.000 -1.651) 6.635 93.548 ( -0.302 0.000 -0.244) 0.388 93.574 ( 0.637 0.000 -0.408) 0.756 94.347 ( -4.051 0.000 7.882) 8.863 94.665 ( -8.265 0.000 -5.857) 10.129 95.031 ( 6.455 0.000 11.136) 12.872 95.571 ( 22.365 0.000 -9.443) 24.277 97.767 ( -7.353 0.000 -1.248) 7.458 97.958 ( 1.610 0.000 -3.931) 4.248 98.098 ( -1.472 0.000 -1.172) 1.882 98.099 ( 0.797 0.000 0.581) 0.986 99.053 ( -79.726 0.000 31.245) 85.630 99.513 ( -22.501 0.000 -2.205) 22.609 102.398 ( -0.181 0.000 -0.440) 0.475 102.399 ( 0.734 0.000 0.418) 0.844 102.608 ( 1.830 0.000 -0.966) 2.069 102.695 ( 8.775 0.000 -3.308) 9.378 107.573 ( -0.196 0.000 -0.609) 0.640 107.595 ( 0.887 0.000 0.232) 0.917 107.800 ( 4.754 0.000 -0.659) 4.800 107.852 ( 2.414 0.000 -0.878) 2.568 ======================= Grid point 101 (33/126) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 30.258 0.000 11.245) 32.280 1.867 ( 32.772 0.000 -12.692) 35.144 2.295 ( 60.448 0.000 11.198) 61.476 2.661 ( 67.731 0.000 -7.566) 68.152 3.268 ( 6.129 0.000 36.248) 36.763 3.581 ( -12.542 0.000 -9.838) 15.941 3.594 ( -14.593 0.000 6.988) 16.180 3.642 ( -12.897 0.000 -24.458) 27.650 4.633 ( -23.498 0.000 14.548) 27.637 4.971 ( -16.686 0.000 -12.802) 21.032 6.007 ( 5.548 0.000 4.305) 7.022 6.308 ( -45.374 0.000 -11.225) 46.742 6.392 ( -30.359 0.000 8.144) 31.433 6.709 ( 26.302 0.000 -15.351) 30.454 7.187 ( -4.965 0.000 4.919) 6.989 7.204 ( -7.287 0.000 0.924) 7.345 7.252 ( -7.851 0.000 0.618) 7.875 7.302 ( -5.564 0.000 -0.360) 5.575 7.544 ( -1.985 0.000 -1.081) 2.260 7.592 ( 0.753 0.000 -5.806) 5.855 7.755 ( -5.874 0.000 -2.072) 6.229 7.899 ( -10.988 0.000 4.196) 11.762 8.158 ( -8.625 0.000 -1.122) 8.698 8.251 ( -0.443 0.000 6.332) 6.347 8.466 ( 5.165 0.000 -1.186) 5.300 8.649 ( 0.557 0.000 -4.586) 4.619 8.715 ( -0.705 0.000 3.885) 3.948 8.840 ( 2.279 0.000 -2.901) 3.689 9.064 ( 1.809 0.000 -2.258) 2.893 9.305 ( 11.276 0.000 3.976) 11.956 9.411 ( 23.612 0.000 -2.387) 23.733 9.529 ( 13.598 0.000 0.342) 13.602 9.639 ( 20.060 0.000 1.777) 20.139 9.747 ( 25.593 0.000 1.076) 25.615 10.048 ( -2.655 0.000 1.945) 3.291 10.348 ( 3.438 0.000 -1.425) 3.721 10.501 ( 6.373 0.000 4.767) 7.959 10.648 ( 3.528 0.000 0.592) 3.577 10.707 ( 0.443 0.000 0.482) 0.655 10.727 ( -3.383 0.000 1.577) 3.733 10.857 ( 1.492 0.000 -0.879) 1.732 11.038 ( -1.205 0.000 -2.255) 2.557 11.149 ( 4.517 0.000 -4.840) 6.621 11.223 ( -1.305 0.000 1.343) 1.872 11.578 ( -14.269 0.000 -3.136) 14.610 11.661 ( -6.161 0.000 -0.011) 6.161 11.866 ( -6.556 0.000 4.587) 8.001 11.894 ( 6.119 0.000 4.180) 7.411 11.967 ( 3.929 0.000 -3.507) 5.267 12.016 ( -0.239 0.000 0.837) 0.870 12.146 ( -7.363 0.000 -2.638) 7.821 12.374 ( 0.326 0.000 -3.449) 3.464 12.447 ( -9.123 0.000 1.034) 9.181 12.575 ( -10.337 0.000 0.704) 10.361 12.701 ( -9.296 0.000 -2.117) 9.534 12.759 ( -4.368 0.000 -2.157) 4.871 12.951 ( -1.794 0.000 -0.432) 1.845 12.966 ( 5.500 0.000 -3.234) 6.380 13.225 ( 2.403 0.000 -3.697) 4.409 13.407 ( -1.463 0.000 -1.649) 2.204 13.615 ( 0.482 0.000 -1.492) 1.568 13.714 ( 5.863 0.000 2.600) 6.414 13.747 ( 3.371 0.000 0.321) 3.386 13.803 ( 8.587 0.000 8.194) 11.869 14.399 ( -13.243 0.000 -2.777) 13.532 14.650 ( -6.345 0.000 -3.699) 7.344 14.685 ( -4.153 0.000 1.060) 4.286 14.871 ( -1.011 0.000 0.437) 1.101 15.013 ( -3.363 0.000 0.868) 3.473 15.178 ( -4.058 0.000 1.625) 4.371 15.378 ( -7.229 0.000 -0.502) 7.247 15.437 ( -4.479 0.000 0.241) 4.486 15.590 ( 3.905 0.000 -2.074) 4.421 15.633 ( 6.888 0.000 -2.397) 7.293 15.783 ( -2.404 0.000 0.633) 2.486 15.950 ( 1.806 0.000 5.620) 5.903 16.173 ( 3.466 0.000 -3.829) 5.165 16.340 ( 10.486 0.000 8.250) 13.342 16.599 ( -0.218 0.000 -1.922) 1.934 16.649 ( -7.197 0.000 5.062) 8.799 16.964 ( 10.858 0.000 4.795) 11.870 17.016 ( 7.369 0.000 6.249) 9.661 17.095 ( 11.855 0.000 -5.828) 13.210 17.512 ( 8.746 0.000 6.892) 11.135 17.853 ( -4.294 0.000 -6.032) 7.404 18.003 ( 0.008 0.000 -4.734) 4.734 18.013 ( 7.815 0.000 -0.834) 7.859 18.091 ( 3.904 0.000 11.642) 12.279 18.441 ( -0.963 0.000 -0.714) 1.199 18.613 ( 1.566 0.000 -2.248) 2.739 18.750 ( 4.957 0.000 0.508) 4.983 18.861 ( 16.682 0.000 8.689) 18.809 19.536 ( -2.531 0.000 0.167) 2.536 19.662 ( 1.042 0.000 1.769) 2.053 20.490 ( -13.260 0.000 -8.585) 15.796 20.555 ( -5.109 0.000 -5.125) 7.237 20.744 ( -0.589 0.000 1.527) 1.636 20.914 ( 7.383 0.000 2.499) 7.795 21.196 ( -27.386 0.000 -21.196) 34.630 21.911 ( -3.022 0.000 4.950) 5.799 23.651 ( 0.476 0.000 2.664) 2.706 23.747 ( 2.278 0.000 -4.930) 5.431 24.124 ( -15.107 0.000 -5.513) 16.081 24.678 ( -15.599 0.000 7.616) 17.359 24.792 ( 4.777 0.000 -0.985) 4.878 25.096 ( -4.428 0.000 -3.968) 5.946 25.156 ( -3.390 0.000 0.762) 3.474 25.258 ( -5.417 0.000 -5.536) 7.745 25.578 ( 6.764 0.000 -8.583) 10.928 25.981 ( 20.851 0.000 7.722) 22.235 26.216 ( -16.614 0.000 4.123) 17.118 27.226 ( -15.604 0.000 -4.869) 16.346 27.272 ( 0.587 0.000 1.330) 1.454 27.302 ( -4.777 0.000 3.023) 5.653 27.615 ( 1.089 0.000 9.832) 9.893 27.616 ( -9.056 0.000 -10.487) 13.856 28.951 ( 4.586 0.000 7.318) 8.636 29.084 ( 3.403 0.000 -7.431) 8.173 29.343 ( -1.861 0.000 -4.701) 5.056 29.537 ( 6.404 0.000 6.682) 9.255 29.764 ( 4.151 0.000 3.885) 5.685 29.870 ( -0.120 0.000 -0.013) 0.121 30.312 ( 19.162 0.000 3.124) 19.415 30.486 ( 12.297 0.000 -0.988) 12.336 31.359 ( 0.405 0.000 3.747) 3.769 31.679 ( -8.707 0.000 -5.241) 10.163 31.855 ( 6.937 0.000 -3.206) 7.642 32.142 ( -1.398 0.000 -1.600) 2.125 32.160 ( -4.620 0.000 2.244) 5.136 32.219 ( 8.416 0.000 4.030) 9.331 32.775 ( -5.200 0.000 3.930) 6.518 32.788 ( -11.243 0.000 -4.227) 12.011 33.392 ( 1.812 0.000 -2.332) 2.953 33.455 ( 7.453 0.000 -0.043) 7.453 33.612 ( -3.799 0.000 -5.221) 6.456 33.791 ( -6.675 0.000 5.273) 8.507 33.842 ( 2.145 0.000 0.876) 2.317 34.018 ( 6.294 0.000 -4.542) 7.762 34.419 ( 1.484 0.000 0.387) 1.533 34.662 ( 4.692 0.000 -4.980) 6.842 34.765 ( 4.121 0.000 2.810) 4.988 35.037 ( 8.939 0.000 -2.546) 9.295 36.014 ( -3.888 0.000 6.726) 7.769 36.200 ( -1.735 0.000 -6.200) 6.439 90.910 ( -1.721 0.000 -1.202) 2.099 90.983 ( 0.912 0.000 1.563) 1.810 91.952 ( -3.585 0.000 -3.187) 4.797 91.983 ( 1.089 0.000 6.054) 6.151 93.545 ( -0.008 0.000 0.033) 0.034 93.588 ( 1.271 0.000 0.291) 1.303 94.362 ( -6.073 0.000 5.833) 8.420 94.499 ( -5.449 0.000 -3.985) 6.750 95.390 ( 18.471 0.000 18.103) 25.863 95.779 ( 29.062 0.000 -17.964) 34.166 97.477 ( -26.677 0.000 -12.370) 29.405 97.873 ( -10.545 0.000 -0.694) 10.567 98.064 ( -1.220 0.000 -0.766) 1.441 98.114 ( 0.061 0.000 0.631) 0.634 98.472 ( -55.024 0.000 30.727) 63.023 99.021 ( -27.827 0.000 -10.524) 29.751 102.390 ( -0.117 0.000 -0.354) 0.373 102.414 ( 0.562 0.000 0.334) 0.654 102.642 ( 3.168 0.000 0.117) 3.170 102.747 ( 4.010 0.000 -2.076) 4.515 107.565 ( -0.022 0.000 -0.416) 0.417 107.608 ( 0.543 0.000 0.160) 0.566 107.846 ( 2.829 0.000 -0.468) 2.867 107.894 ( 3.638 0.000 0.235) 3.646 ======================= Grid point 102 (34/126) ======================= q-point: ( 0.38 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 19.857 0.000 9.503) 22.014 2.221 ( 33.567 0.000 -8.928) 34.734 2.944 ( 1.476 0.000 -52.514) 52.535 3.084 ( 9.982 0.000 11.440) 15.183 3.336 ( -18.330 0.000 -15.441) 23.967 3.409 ( -2.455 0.000 -1.883) 3.094 3.598 ( 60.468 0.000 -4.676) 60.649 3.623 ( 33.395 0.000 -0.033) 33.395 4.624 ( -18.384 0.000 31.172) 36.190 4.928 ( 0.081 0.000 25.919) 25.919 5.449 ( -53.559 0.000 -9.948) 54.475 5.542 ( -53.354 0.000 3.374) 53.461 6.551 ( 13.168 0.000 10.120) 16.608 6.885 ( 21.743 0.000 -12.054) 24.860 7.089 ( -9.356 0.000 -0.359) 9.362 7.123 ( -7.277 0.000 -2.554) 7.712 7.229 ( 1.125 0.000 6.350) 6.449 7.231 ( -4.202 0.000 0.036) 4.202 7.493 ( -5.445 0.000 2.958) 6.197 7.549 ( 1.559 0.000 -3.029) 3.407 7.693 ( 1.677 0.000 -4.093) 4.423 7.792 ( -12.434 0.000 4.587) 13.253 8.029 ( -6.410 0.000 -0.646) 6.443 8.264 ( -3.753 0.000 0.371) 3.771 8.531 ( 4.857 0.000 -1.018) 4.962 8.639 ( 4.631 0.000 -1.846) 4.986 8.729 ( -2.339 0.000 2.323) 3.296 8.819 ( 0.595 0.000 -3.426) 3.478 9.072 ( 1.432 0.000 0.599) 1.552 9.435 ( 2.357 0.000 2.454) 3.403 9.662 ( 14.099 0.000 -2.782) 14.371 9.673 ( 6.813 0.000 -1.558) 6.989 10.012 ( 9.819 0.000 2.719) 10.188 10.045 ( 15.068 0.000 1.417) 15.134 10.134 ( 23.282 0.000 -1.190) 23.312 10.387 ( 6.153 0.000 -2.176) 6.526 10.650 ( 2.967 0.000 4.852) 5.687 10.651 ( -10.422 0.000 0.585) 10.439 10.714 ( 5.645 0.000 -0.856) 5.709 10.722 ( 1.322 0.000 2.300) 2.653 10.870 ( 1.366 0.000 -0.010) 1.366 10.941 ( -5.118 0.000 -1.897) 5.459 11.152 ( 2.140 0.000 -6.084) 6.449 11.182 ( -5.884 0.000 0.654) 5.920 11.300 ( -16.137 0.000 0.471) 16.144 11.591 ( 0.436 0.000 -3.687) 3.713 11.789 ( -4.006 0.000 -6.444) 7.587 11.957 ( -2.859 0.000 0.118) 2.861 11.958 ( -2.347 0.000 -5.820) 6.275 12.062 ( 8.887 0.000 0.463) 8.899 12.079 ( 6.785 0.000 -4.348) 8.058 12.388 ( -9.538 0.000 7.511) 12.140 12.398 ( 2.158 0.000 1.235) 2.487 12.416 ( -9.330 0.000 -0.731) 9.359 12.563 ( -7.463 0.000 2.985) 8.038 12.658 ( -8.176 0.000 5.732) 9.986 13.003 ( 2.716 0.000 2.668) 3.807 13.007 ( 4.239 0.000 -1.718) 4.574 13.183 ( -1.970 0.000 -1.827) 2.687 13.379 ( 2.678 0.000 -3.341) 4.281 13.556 ( -4.044 0.000 0.080) 4.045 13.748 ( 2.617 0.000 -2.393) 3.546 13.875 ( 8.624 0.000 1.524) 8.757 14.048 ( 7.217 0.000 5.096) 8.834 14.196 ( -12.390 0.000 1.250) 12.453 14.473 ( -7.511 0.000 -3.989) 8.504 14.670 ( -1.692 0.000 2.693) 3.181 14.868 ( -0.303 0.000 -0.141) 0.334 15.001 ( -1.374 0.000 2.504) 2.856 15.136 ( -3.016 0.000 -0.790) 3.118 15.344 ( -3.898 0.000 7.692) 8.623 15.386 ( -3.453 0.000 2.234) 4.113 15.630 ( 3.237 0.000 -1.038) 3.400 15.676 ( 3.007 0.000 -1.013) 3.173 15.781 ( -1.015 0.000 2.499) 2.698 16.014 ( -0.747 0.000 2.024) 2.157 16.187 ( 3.086 0.000 -0.980) 3.238 16.530 ( 4.636 0.000 3.341) 5.714 16.536 ( -1.610 0.000 -5.913) 6.128 16.560 ( -5.037 0.000 -3.913) 6.378 17.038 ( 4.158 0.000 -10.422) 11.220 17.147 ( 11.282 0.000 -2.952) 11.662 17.298 ( 9.548 0.000 7.009) 11.844 17.639 ( -4.296 0.000 7.087) 8.287 17.753 ( -0.206 0.000 -4.408) 4.413 17.989 ( 0.720 0.000 1.879) 2.012 18.063 ( 4.800 0.000 -8.493) 9.756 18.274 ( 0.756 0.000 10.172) 10.200 18.440 ( -0.377 0.000 1.747) 1.787 18.687 ( 6.207 0.000 2.388) 6.651 18.814 ( 3.125 0.000 0.103) 3.127 19.307 ( 16.236 0.000 13.670) 21.224 19.488 ( -2.560 0.000 -1.236) 2.843 19.675 ( -0.018 0.000 -1.142) 1.142 20.037 ( -22.385 0.000 -20.680) 30.476 20.462 ( -1.101 0.000 -1.587) 1.932 20.527 ( -5.308 0.000 -1.188) 5.440 20.921 ( -0.569 0.000 0.142) 0.586 21.034 ( 3.892 0.000 2.496) 4.624 21.893 ( -5.949 0.000 2.203) 6.343 23.697 ( -0.917 0.000 3.956) 4.061 23.743 ( 3.958 0.000 -2.061) 4.463 23.923 ( -6.388 0.000 0.189) 6.391 24.543 ( -12.557 0.000 5.998) 13.916 24.840 ( 3.323 0.000 -0.766) 3.410 24.997 ( 0.902 0.000 -4.962) 5.044 25.110 ( -3.451 0.000 -0.138) 3.453 25.158 ( -2.060 0.000 -2.311) 3.096 25.576 ( 6.819 0.000 -8.133) 10.614 26.117 ( -8.803 0.000 9.429) 12.899 26.372 ( 21.198 0.000 3.895) 21.553 26.821 ( -15.178 0.000 -18.776) 24.144 27.121 ( -2.747 0.000 -20.932) 21.111 27.242 ( -4.440 0.000 -1.562) 4.707 27.655 ( -2.287 0.000 24.656) 24.762 27.694 ( -2.596 0.000 2.712) 3.754 29.030 ( 1.183 0.000 -3.390) 3.590 29.085 ( 4.187 0.000 0.587) 4.227 29.305 ( -0.028 0.000 1.593) 1.593 29.676 ( 2.731 0.000 2.239) 3.531 29.819 ( 0.387 0.000 0.226) 0.448 29.843 ( -0.220 0.000 -3.373) 3.380 30.580 ( 2.211 0.000 0.013) 2.211 30.619 ( 13.832 0.000 3.460) 14.258 31.453 ( 3.979 0.000 3.432) 5.255 31.460 ( -6.692 0.000 -5.137) 8.437 31.955 ( 4.968 0.000 1.049) 5.077 32.095 ( -6.976 0.000 2.010) 7.260 32.127 ( 3.250 0.000 -1.663) 3.650 32.357 ( 5.788 0.000 0.217) 5.792 32.596 ( -8.113 0.000 -2.511) 8.493 32.753 ( -4.933 0.000 2.530) 5.544 33.369 ( -1.060 0.000 -1.544) 1.873 33.477 ( -2.639 0.000 -6.893) 7.381 33.571 ( 4.788 0.000 4.808) 6.786 33.782 ( -4.938 0.000 6.555) 8.207 33.897 ( 2.274 0.000 2.703) 3.532 34.053 ( 5.662 0.000 -3.367) 6.588 34.459 ( 1.176 0.000 2.560) 2.817 34.685 ( 4.674 0.000 -2.304) 5.211 34.851 ( 1.865 0.000 3.094) 3.612 35.117 ( 6.672 0.000 -2.833) 7.249 36.022 ( -5.603 0.000 5.467) 7.829 36.128 ( 1.025 0.000 -3.485) 3.633 90.887 ( -0.610 0.000 0.341) 0.699 91.002 ( -0.126 0.000 0.276) 0.303 91.866 ( -0.563 0.000 -5.725) 5.753 92.026 ( -1.595 0.000 0.497) 1.670 93.548 ( 0.008 0.000 0.496) 0.496 93.605 ( 0.806 0.000 -0.490) 0.944 94.325 ( -5.814 0.000 2.295) 6.251 94.412 ( -1.426 0.000 -1.906) 2.380 95.928 ( 32.256 0.000 -29.375) 43.627 96.002 ( 28.132 0.000 19.693) 34.340 96.628 ( -40.126 0.000 -33.688) 52.393 97.600 ( -33.589 0.000 8.672) 34.691 98.048 ( -0.373 0.000 0.073) 0.380 98.112 ( -1.831 0.000 1.034) 2.103 98.232 ( -20.152 0.000 14.876) 25.048 98.652 ( -6.252 0.000 -6.970) 9.363 102.387 ( 0.065 0.000 -0.071) 0.096 102.421 ( 0.193 0.000 -0.049) 0.199 102.687 ( 1.527 0.000 1.105) 1.885 102.770 ( 2.204 0.000 -1.058) 2.444 107.563 ( 0.130 0.000 0.033) 0.134 107.613 ( 0.201 0.000 -0.199) 0.283 107.877 ( 1.507 0.000 0.545) 1.603 107.947 ( 1.867 0.000 1.136) 2.185 ======================= Grid point 103 (35/126) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( -12.037 0.000 5.691) 13.315 2.436 ( -0.124 0.000 -26.062) 26.063 2.454 ( 23.207 0.000 -48.004) 53.319 2.809 ( 9.982 0.000 -21.950) 24.113 2.972 ( -24.637 0.000 4.446) 25.035 3.372 ( 9.948 0.000 -3.042) 10.402 4.219 ( -8.279 0.000 7.510) 11.178 4.407 ( 25.738 0.000 1.154) 25.764 4.649 ( -7.065 0.000 -3.996) 8.116 4.732 ( -11.263 0.000 4.434) 12.105 4.952 ( -20.084 0.000 28.146) 34.576 5.422 ( 16.685 0.000 24.969) 30.031 6.731 ( -13.254 0.000 6.931) 14.957 7.003 ( 1.588 0.000 -4.316) 4.599 7.009 ( 4.758 0.000 3.216) 5.743 7.034 ( 9.315 0.000 -4.082) 10.170 7.171 ( -1.029 0.000 -2.721) 2.909 7.377 ( 6.265 0.000 6.645) 9.133 7.484 ( -1.859 0.000 4.081) 4.484 7.571 ( 4.786 0.000 -0.706) 4.838 7.635 ( -12.041 0.000 -0.150) 12.042 7.680 ( 3.064 0.000 -3.875) 4.940 7.992 ( 1.749 0.000 0.705) 1.886 8.181 ( -3.156 0.000 -4.552) 5.539 8.566 ( 1.632 0.000 -0.969) 1.898 8.697 ( 0.501 0.000 0.300) 0.584 8.719 ( -3.051 0.000 2.263) 3.799 8.797 ( 4.508 0.000 -2.238) 5.033 9.116 ( 0.725 0.000 3.667) 3.738 9.462 ( -2.137 0.000 2.010) 2.934 9.670 ( -0.826 0.000 -5.453) 5.515 9.751 ( 4.301 0.000 -3.396) 5.480 9.991 ( -4.056 0.000 -0.142) 4.059 10.284 ( 4.729 0.000 -5.145) 6.988 10.359 ( -9.852 0.000 2.493) 10.162 10.487 ( -1.514 0.000 1.354) 2.031 10.503 ( 7.697 0.000 5.165) 9.269 10.564 ( -8.804 0.000 -1.646) 8.957 10.748 ( 1.545 0.000 -3.515) 3.840 10.829 ( -4.621 0.000 5.382) 7.094 10.911 ( 5.575 0.000 2.077) 5.949 10.931 ( 2.020 0.000 3.336) 3.900 11.066 ( 2.439 0.000 -3.959) 4.650 11.113 ( -0.722 0.000 -1.142) 1.351 11.243 ( 2.286 0.000 2.575) 3.443 11.568 ( 3.804 0.000 -5.235) 6.471 11.657 ( 3.103 0.000 -9.905) 10.379 11.782 ( -4.802 0.000 -11.876) 12.811 11.924 ( -2.205 0.000 1.001) 2.421 12.158 ( -5.858 0.000 0.461) 5.876 12.179 ( 10.705 0.000 -2.408) 10.972 12.232 ( 1.886 0.000 -2.919) 3.475 12.302 ( -6.767 0.000 1.354) 6.901 12.508 ( 9.886 0.000 -3.430) 10.464 12.614 ( -1.120 0.000 11.809) 11.862 12.702 ( -2.925 0.000 11.334) 11.705 12.973 ( -6.826 0.000 -1.706) 7.036 13.041 ( 2.503 0.000 -0.601) 2.574 13.207 ( 3.007 0.000 2.901) 4.178 13.410 ( 5.334 0.000 -2.192) 5.767 13.529 ( -0.886 0.000 2.526) 2.677 13.743 ( 1.378 0.000 -3.063) 3.359 14.005 ( -10.310 0.000 -4.154) 11.116 14.020 ( 6.294 0.000 1.139) 6.396 14.084 ( -5.517 0.000 4.840) 7.339 14.458 ( 6.067 0.000 -0.764) 6.115 14.695 ( -0.672 0.000 3.691) 3.752 14.854 ( -0.222 0.000 -0.862) 0.890 15.034 ( -1.465 0.000 5.785) 5.968 15.113 ( -0.177 0.000 2.358) 2.365 15.402 ( -2.210 0.000 6.493) 6.859 15.405 ( 0.796 0.000 3.716) 3.800 15.659 ( 0.805 0.000 1.702) 1.883 15.714 ( 1.821 0.000 0.831) 2.001 15.813 ( -1.408 0.000 6.145) 6.304 15.967 ( -4.373 0.000 -2.485) 5.030 16.236 ( 1.635 0.000 2.564) 3.041 16.403 ( -4.888 0.000 -7.565) 9.007 16.442 ( 0.180 0.000 -8.002) 8.004 16.564 ( 1.492 0.000 -3.974) 4.245 16.931 ( 1.522 0.000 -11.945) 12.042 17.143 ( -3.247 0.000 -10.521) 11.011 17.458 ( -1.542 0.000 6.781) 6.955 17.597 ( -6.827 0.000 2.071) 7.134 17.741 ( 5.562 0.000 -3.015) 6.326 17.973 ( 0.030 0.000 -8.484) 8.485 18.066 ( 2.790 0.000 5.770) 6.409 18.294 ( -9.069 0.000 -1.581) 9.205 18.470 ( -0.366 0.000 3.858) 3.876 18.713 ( -2.805 0.000 -1.081) 3.006 18.837 ( -0.014 0.000 -0.066) 0.068 19.090 ( -13.890 0.000 -16.795) 21.795 19.479 ( 0.704 0.000 0.036) 0.705 19.633 ( -1.000 0.000 -3.845) 3.973 20.187 ( 22.486 0.000 17.739) 28.641 20.489 ( 3.645 0.000 2.396) 4.362 20.683 ( 7.358 0.000 10.441) 12.774 20.967 ( 7.036 0.000 8.222) 10.821 21.072 ( -1.505 0.000 0.513) 1.590 21.788 ( -6.936 0.000 -4.259) 8.139 23.702 ( -4.016 0.000 2.685) 4.830 23.836 ( 8.382 0.000 0.752) 8.416 23.931 ( -0.835 0.000 10.028) 10.063 24.509 ( -4.761 0.000 8.149) 9.438 24.875 ( 2.529 0.000 -0.077) 2.530 25.013 ( 5.694 0.000 -1.138) 5.807 25.059 ( -1.252 0.000 -1.987) 2.348 25.142 ( 2.849 0.000 -0.728) 2.941 25.559 ( 5.722 0.000 -8.690) 10.405 26.161 ( -5.373 0.000 11.337) 12.546 26.259 ( -10.939 0.000 -27.531) 29.624 26.777 ( 17.871 0.000 3.434) 18.198 26.806 ( -4.442 0.000 -19.135) 19.644 27.150 ( -0.803 0.000 -6.415) 6.465 27.648 ( -4.435 0.000 1.830) 4.797 27.975 ( 0.231 0.000 24.191) 24.192 28.919 ( -2.281 0.000 -10.004) 10.261 29.206 ( 3.902 0.000 7.152) 8.147 29.365 ( 1.647 0.000 4.826) 5.100 29.607 ( -6.311 0.000 -8.290) 10.419 29.791 ( -1.881 0.000 -2.581) 3.194 29.814 ( 1.627 0.000 -3.138) 3.535 30.599 ( 0.968 0.000 0.746) 1.221 30.683 ( -5.512 0.000 -2.048) 5.880 31.478 ( 9.295 0.000 3.425) 9.906 31.498 ( -3.550 0.000 1.484) 3.848 31.988 ( -0.325 0.000 0.881) 0.939 32.026 ( -3.691 0.000 0.288) 3.703 32.184 ( 2.318 0.000 0.874) 2.477 32.375 ( -1.678 0.000 -2.654) 3.140 32.541 ( 4.202 0.000 0.446) 4.226 32.676 ( -4.854 0.000 -2.095) 5.287 33.338 ( 0.435 0.000 -2.018) 2.064 33.403 ( 3.482 0.000 -5.132) 6.202 33.683 ( -0.540 0.000 5.433) 5.459 33.811 ( -4.874 0.000 9.167) 10.382 33.967 ( 2.922 0.000 1.529) 3.298 34.101 ( 3.147 0.000 1.545) 3.506 34.512 ( -0.830 0.000 5.165) 5.231 34.734 ( 3.562 0.000 0.489) 3.596 34.883 ( -2.802 0.000 2.896) 4.030 35.153 ( 3.056 0.000 -2.698) 4.077 35.992 ( -6.210 0.000 3.492) 7.125 36.151 ( 5.078 0.000 -0.117) 5.080 90.901 ( 0.630 0.000 1.848) 1.952 90.986 ( -1.099 0.000 -1.233) 1.652 91.788 ( 2.192 0.000 -8.768) 9.038 91.943 ( -3.549 0.000 -7.088) 7.927 93.556 ( -0.180 0.000 0.816) 0.835 93.596 ( -0.119 0.000 -1.449) 1.454 94.264 ( -3.565 0.000 -0.632) 3.620 94.408 ( 2.639 0.000 -0.338) 2.660 95.584 ( -24.558 0.000 -33.271) 41.353 95.946 ( 33.380 0.000 -43.665) 54.963 96.818 ( 35.482 0.000 17.278) 39.466 97.169 ( -40.308 0.000 8.724) 41.241 98.053 ( 0.362 0.000 0.714) 0.800 98.095 ( -1.945 0.000 1.043) 2.207 98.187 ( -7.384 0.000 7.417) 10.466 98.615 ( 7.895 0.000 -2.372) 8.244 102.390 ( 0.231 0.000 0.243) 0.335 102.419 ( -0.176 0.000 -0.395) 0.432 102.707 ( -0.821 0.000 1.237) 1.484 102.787 ( 1.488 0.000 -0.416) 1.545 107.569 ( 0.250 0.000 0.443) 0.508 107.610 ( -0.019 0.000 -0.498) 0.499 107.908 ( 0.805 0.000 1.885) 2.050 107.964 ( -1.140 0.000 0.675) 1.325 ======================= Grid point 104 (36/126) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -19.664 0.000 -52.841) 56.381 1.860 ( -34.780 0.000 3.098) 34.917 2.441 ( 41.584 0.000 -28.868) 50.622 2.611 ( -30.070 0.000 3.117) 30.232 3.015 ( 13.744 0.000 -3.635) 14.217 3.424 ( -59.352 0.000 -1.304) 59.366 3.566 ( 9.894 0.000 -2.805) 10.283 3.790 ( -53.114 0.000 2.602) 53.177 5.174 ( 30.799 0.000 11.176) 32.764 5.250 ( 0.004 0.000 29.236) 29.236 5.371 ( 54.814 0.000 -3.606) 54.933 5.995 ( 34.153 0.000 7.025) 34.868 6.435 ( -27.459 0.000 0.437) 27.462 7.003 ( 4.560 0.000 -0.156) 4.563 7.137 ( 7.460 0.000 -0.836) 7.507 7.141 ( 4.495 0.000 -1.607) 4.774 7.226 ( 6.442 0.000 6.707) 9.300 7.329 ( -18.411 0.000 0.646) 18.422 7.539 ( 3.939 0.000 2.132) 4.479 7.624 ( 8.941 0.000 -0.934) 8.990 7.699 ( 5.070 0.000 -0.634) 5.110 7.715 ( 14.389 0.000 2.345) 14.579 8.065 ( -3.614 0.000 -5.742) 6.785 8.075 ( 6.605 0.000 1.198) 6.713 8.558 ( -1.480 0.000 -0.166) 1.489 8.636 ( -2.148 0.000 -4.975) 5.419 8.690 ( -4.927 0.000 1.881) 5.274 8.882 ( 4.460 0.000 1.015) 4.574 9.197 ( 0.616 0.000 8.099) 8.122 9.422 ( -7.987 0.000 2.391) 8.337 9.530 ( -5.194 0.000 -8.846) 10.258 9.703 ( -5.762 0.000 -2.769) 6.393 9.892 ( -10.026 0.000 1.156) 10.092 10.092 ( -22.400 0.000 3.541) 22.678 10.135 ( -26.247 0.000 -1.637) 26.297 10.248 ( -4.186 0.000 -4.396) 6.070 10.569 ( -2.885 0.000 -1.003) 3.055 10.672 ( 0.452 0.000 2.744) 2.781 10.724 ( -0.404 0.000 -1.198) 1.264 10.775 ( -8.404 0.000 4.266) 9.425 10.971 ( -3.346 0.000 2.161) 3.983 11.074 ( 9.057 0.000 5.685) 10.693 11.081 ( 9.026 0.000 -3.306) 9.612 11.109 ( -0.537 0.000 -3.541) 3.581 11.431 ( 17.391 0.000 -0.611) 17.401 11.549 ( 0.391 0.000 -4.259) 4.277 11.626 ( 9.264 0.000 -10.201) 13.780 11.641 ( 3.893 0.000 -2.315) 4.530 11.936 ( 2.020 0.000 1.530) 2.534 11.980 ( -9.745 0.000 -1.246) 9.825 12.184 ( -3.885 0.000 1.337) 4.109 12.366 ( 10.670 0.000 0.273) 10.673 12.400 ( 14.567 0.000 -0.518) 14.577 12.548 ( 10.749 0.000 -15.681) 19.011 12.765 ( 2.811 0.000 8.838) 9.275 12.793 ( -0.507 0.000 5.571) 5.594 12.861 ( -5.671 0.000 0.539) 5.697 13.070 ( 1.235 0.000 1.476) 1.924 13.266 ( 0.900 0.000 1.655) 1.884 13.415 ( -0.564 0.000 -2.568) 2.630 13.614 ( 5.481 0.000 2.890) 6.196 13.707 ( -1.139 0.000 -3.106) 3.309 13.792 ( -12.404 0.000 -1.457) 12.490 13.979 ( -10.917 0.000 6.588) 12.751 14.256 ( 14.737 0.000 1.870) 14.855 14.507 ( 7.140 0.000 -6.176) 9.441 14.741 ( 0.257 0.000 4.010) 4.018 14.858 ( 2.032 0.000 -0.510) 2.095 15.102 ( -2.407 0.000 9.393) 9.697 15.185 ( 1.685 0.000 5.553) 5.803 15.443 ( -0.554 0.000 4.158) 4.195 15.484 ( 4.193 0.000 1.600) 4.488 15.682 ( -1.453 0.000 0.592) 1.569 15.710 ( 0.451 0.000 -4.140) 4.165 15.911 ( -3.550 0.000 7.910) 8.670 15.913 ( -1.505 0.000 11.884) 11.979 16.238 ( -5.427 0.000 -4.168) 6.843 16.273 ( -0.520 0.000 1.340) 1.438 16.376 ( 1.917 0.000 -4.622) 5.004 16.501 ( -0.707 0.000 -6.572) 6.610 16.804 ( -0.135 0.000 -8.696) 8.697 16.807 ( -13.209 0.000 -17.020) 21.545 17.424 ( -11.563 0.000 5.187) 12.674 17.507 ( -8.316 0.000 -3.725) 9.112 17.812 ( 7.574 0.000 -3.029) 8.157 17.865 ( -1.317 0.000 -6.222) 6.360 18.078 ( -8.834 0.000 -2.555) 9.196 18.198 ( 3.842 0.000 6.326) 7.402 18.522 ( -0.176 0.000 4.830) 4.833 18.686 ( -0.599 0.000 -0.508) 0.786 18.811 ( -3.546 0.000 0.188) 3.551 18.845 ( -6.159 0.000 -3.055) 6.875 19.493 ( 1.137 0.000 0.171) 1.149 19.568 ( -0.484 0.000 -4.111) 4.139 20.582 ( 5.441 0.000 2.577) 6.021 20.603 ( 6.152 0.000 3.157) 6.914 20.779 ( 3.426 0.000 8.960) 9.593 21.001 ( -5.919 0.000 -3.150) 6.705 21.458 ( 23.105 0.000 19.577) 30.284 21.587 ( -3.897 0.000 -15.047) 15.544 23.674 ( -3.145 0.000 1.924) 3.687 23.972 ( 9.228 0.000 2.937) 9.684 24.127 ( 2.255 0.000 14.740) 14.911 24.550 ( -3.978 0.000 5.097) 6.465 24.940 ( 2.126 0.000 6.349) 6.696 25.034 ( 4.090 0.000 -4.842) 6.338 25.072 ( 1.916 0.000 -1.504) 2.435 25.227 ( 10.037 0.000 -0.903) 10.077 25.554 ( 8.964 0.000 -6.108) 10.847 25.749 ( -7.258 0.000 -31.115) 31.951 26.191 ( -6.648 0.000 5.665) 8.734 26.505 ( -6.725 0.000 -14.983) 16.423 27.067 ( 18.287 0.000 -0.264) 18.289 27.070 ( 2.992 0.000 -8.128) 8.661 27.702 ( -1.323 0.000 14.829) 14.888 28.135 ( -5.994 0.000 2.237) 6.398 28.853 ( 1.456 0.000 7.036) 7.185 29.251 ( -7.489 0.000 -7.820) 10.828 29.428 ( 0.115 0.000 -0.311) 0.332 29.450 ( 2.162 0.000 2.815) 3.550 29.714 ( -3.263 0.000 -2.676) 4.220 29.788 ( 0.778 0.000 -3.473) 3.559 30.541 ( -9.902 0.000 1.298) 9.986 30.622 ( -1.334 0.000 1.605) 2.087 31.392 ( -9.860 0.000 -0.001) 9.860 31.647 ( 6.495 0.000 0.211) 6.499 32.021 ( 3.332 0.000 -0.802) 3.428 32.029 ( 2.152 0.000 4.929) 5.378 32.190 ( -2.089 0.000 1.486) 2.564 32.233 ( -10.685 0.000 -4.608) 11.636 32.615 ( 1.842 0.000 -3.308) 3.787 32.710 ( 13.564 0.000 2.719) 13.834 33.348 ( 4.765 0.000 -1.637) 5.038 33.432 ( 6.756 0.000 -3.330) 7.532 33.679 ( -5.582 0.000 2.278) 6.029 33.855 ( -5.197 0.000 8.496) 9.960 33.992 ( 1.125 0.000 -2.596) 2.829 34.204 ( 3.727 0.000 7.096) 8.015 34.550 ( -3.844 0.000 5.500) 6.710 34.791 ( 1.366 0.000 2.447) 2.803 34.851 ( -6.505 0.000 3.166) 7.235 35.137 ( -1.170 0.000 -1.893) 2.226 35.939 ( -5.206 0.000 1.541) 5.429 36.250 ( 6.875 0.000 0.964) 6.942 90.945 ( 1.428 0.000 2.356) 2.755 90.952 ( -1.045 0.000 -1.222) 1.608 91.700 ( 3.770 0.000 -12.369) 12.931 91.782 ( -2.237 0.000 -9.858) 10.108 93.562 ( -0.341 0.000 0.754) 0.828 93.582 ( 0.185 0.000 -0.316) 0.367 94.219 ( -1.244 0.000 -0.644) 1.401 94.476 ( 6.944 0.000 0.020) 6.944 95.053 ( -8.890 0.000 -14.872) 17.327 95.760 ( 30.342 0.000 -59.821) 67.076 96.671 ( -38.953 0.000 3.489) 39.109 97.430 ( 23.656 0.000 8.488) 25.133 98.077 ( 1.203 0.000 1.172) 1.680 98.084 ( -0.675 0.000 0.126) 0.686 98.185 ( -4.960 0.000 6.237) 7.969 98.812 ( 21.935 0.000 -0.719) 21.946 102.398 ( 0.254 0.000 0.398) 0.473 102.407 ( -0.454 0.000 -0.557) 0.718 102.698 ( -2.370 0.000 1.172) 2.644 102.803 ( 1.259 0.000 -0.251) 1.284 107.579 ( 0.237 0.000 0.570) 0.617 107.601 ( -0.212 0.000 -0.685) 0.717 107.938 ( -2.676 0.000 -0.016) 2.676 107.951 ( 0.471 0.000 3.429) 3.461 ======================= Grid point 105 (37/126) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( -21.087 0.000 -53.755) 57.743 1.323 ( -43.440 0.000 3.170) 43.555 2.162 ( -42.508 0.000 -2.190) 42.564 2.337 ( -58.790 0.000 2.133) 58.829 2.837 ( -57.012 0.000 -1.920) 57.044 2.865 ( 41.705 0.000 -7.335) 42.345 3.364 ( 15.237 0.000 0.236) 15.239 3.862 ( 17.692 0.000 -2.755) 17.905 5.507 ( -12.507 0.000 20.112) 23.684 5.648 ( 19.802 0.000 6.587) 20.869 6.022 ( 1.483 0.000 0.266) 1.506 6.109 ( 26.680 0.000 -5.571) 27.255 6.541 ( 34.690 0.000 -6.237) 35.246 7.039 ( -9.220 0.000 -1.262) 9.306 7.148 ( 8.313 0.000 -0.986) 8.371 7.230 ( 10.519 0.000 -0.854) 10.553 7.244 ( 6.241 0.000 3.587) 7.199 7.327 ( -1.703 0.000 3.465) 3.861 7.642 ( 9.545 0.000 -2.117) 9.777 7.689 ( 5.727 0.000 -8.021) 9.856 7.846 ( 7.946 0.000 8.117) 11.359 7.934 ( -0.287 0.000 3.486) 3.498 7.999 ( 9.431 0.000 -0.074) 9.431 8.178 ( 6.667 0.000 -0.818) 6.717 8.529 ( -3.624 0.000 1.981) 4.130 8.546 ( 0.001 0.000 -5.901) 5.901 8.619 ( -6.682 0.000 0.331) 6.690 8.913 ( 0.346 0.000 -1.762) 1.796 9.251 ( -16.613 0.000 -1.199) 16.656 9.302 ( -3.947 0.000 8.463) 9.338 9.337 ( -8.241 0.000 -6.383) 10.424 9.539 ( -13.299 0.000 1.890) 13.433 9.735 ( -25.532 0.000 1.197) 25.560 9.761 ( -16.569 0.000 9.112) 18.909 9.861 ( -7.038 0.000 -3.895) 8.044 10.141 ( -1.054 0.000 -6.125) 6.215 10.453 ( -9.807 0.000 0.404) 9.815 10.640 ( -11.558 0.000 -0.317) 11.563 10.691 ( -0.912 0.000 2.166) 2.350 10.731 ( -2.232 0.000 1.422) 2.646 10.947 ( -2.922 0.000 1.556) 3.311 10.997 ( -0.171 0.000 -6.423) 6.425 11.185 ( 5.994 0.000 0.177) 5.996 11.212 ( -0.643 0.000 4.673) 4.717 11.583 ( 6.828 0.000 -2.829) 7.391 11.630 ( 10.700 0.000 -3.093) 11.138 11.677 ( 2.362 0.000 2.312) 3.306 11.684 ( 7.624 0.000 -7.260) 10.528 11.927 ( 6.111 0.000 -0.471) 6.129 12.008 ( 4.264 0.000 1.597) 4.554 12.206 ( 3.205 0.000 3.307) 4.605 12.328 ( 3.323 0.000 -23.942) 24.171 12.543 ( 9.196 0.000 -9.501) 13.222 12.598 ( 12.410 0.000 -0.917) 12.444 12.816 ( -3.363 0.000 3.399) 4.781 12.845 ( 3.040 0.000 2.630) 4.019 12.899 ( 4.708 0.000 3.718) 5.999 13.130 ( 2.025 0.000 4.384) 4.829 13.294 ( 1.634 0.000 -0.046) 1.635 13.336 ( -2.850 0.000 -6.193) 6.817 13.624 ( -11.862 0.000 2.622) 12.148 13.632 ( -3.173 0.000 -3.104) 4.439 13.692 ( 2.152 0.000 -0.013) 2.152 13.905 ( -12.416 0.000 8.497) 15.045 14.504 ( 15.534 0.000 2.519) 15.737 14.551 ( 10.125 0.000 -6.027) 11.783 14.798 ( 0.636 0.000 3.842) 3.895 14.892 ( 3.727 0.000 -1.116) 3.890 15.195 ( -1.814 0.000 9.240) 9.416 15.255 ( -1.114 0.000 4.438) 4.576 15.456 ( 1.408 0.000 -5.281) 5.465 15.503 ( -0.524 0.000 -3.979) 4.014 15.702 ( 1.871 0.000 3.237) 3.739 15.726 ( 6.991 0.000 5.650) 8.989 16.031 ( -4.651 0.000 11.518) 12.421 16.058 ( -1.016 0.000 15.726) 15.759 16.152 ( -2.791 0.000 -1.978) 3.421 16.275 ( -0.947 0.000 1.433) 1.718 16.344 ( -5.588 0.000 -9.701) 11.196 16.364 ( -1.880 0.000 1.774) 2.584 16.537 ( -1.001 0.000 -4.196) 4.314 16.742 ( -1.960 0.000 2.184) 2.935 17.225 ( -17.021 0.000 -7.718) 18.689 17.368 ( -11.424 0.000 23.374) 26.016 17.825 ( 1.996 0.000 -2.291) 3.038 17.848 ( 4.959 0.000 -7.019) 8.594 17.993 ( -4.697 0.000 1.711) 4.999 18.298 ( 0.220 0.000 3.418) 3.425 18.591 ( 0.869 0.000 6.138) 6.200 18.648 ( -1.595 0.000 -2.277) 2.780 18.754 ( -4.984 0.000 1.879) 5.327 18.780 ( -2.382 0.000 0.614) 2.460 19.522 ( 1.132 0.000 1.807) 2.132 19.526 ( 0.712 0.000 -2.498) 2.598 20.521 ( -3.227 0.000 -4.867) 5.840 20.689 ( 5.412 0.000 -9.078) 10.569 20.838 ( -5.503 0.000 -8.275) 9.938 21.007 ( 5.481 0.000 8.670) 10.257 21.268 ( -1.664 0.000 -31.355) 31.399 21.912 ( 13.076 0.000 8.913) 15.825 23.663 ( -1.390 0.000 0.732) 1.571 24.162 ( 12.237 0.000 -2.616) 12.513 24.323 ( -2.411 0.000 17.909) 18.071 24.501 ( -5.191 0.000 -1.096) 5.305 24.953 ( 4.042 0.000 -22.627) 22.985 25.010 ( -0.449 0.000 -6.698) 6.714 25.131 ( 5.487 0.000 5.983) 8.118 25.276 ( -4.703 0.000 -22.783) 23.263 25.383 ( 13.614 0.000 -2.619) 13.864 25.704 ( 11.479 0.000 4.785) 12.437 26.116 ( -8.689 0.000 1.349) 8.793 26.253 ( -9.323 0.000 -3.416) 9.929 27.039 ( 4.638 0.000 -5.250) 7.005 27.295 ( 15.335 0.000 -2.064) 15.473 27.940 ( -7.943 0.000 -9.645) 12.495 27.954 ( 1.292 0.000 21.289) 21.328 28.938 ( -9.353 0.000 -15.242) 17.883 29.099 ( 3.533 0.000 19.637) 19.953 29.449 ( -0.507 0.000 -4.641) 4.668 29.480 ( 1.214 0.000 1.364) 1.826 29.672 ( -1.740 0.000 2.106) 2.732 29.763 ( 0.355 0.000 -1.321) 1.368 30.488 ( -5.402 0.000 9.412) 10.852 30.543 ( -11.855 0.000 0.088) 11.855 31.323 ( 1.397 0.000 1.906) 2.363 31.668 ( 1.229 0.000 -3.313) 3.534 31.986 ( -12.762 0.000 -5.532) 13.910 32.084 ( 4.975 0.000 -0.407) 4.991 32.127 ( -1.573 0.000 6.225) 6.421 32.195 ( 1.922 0.000 0.487) 1.983 32.637 ( 5.097 0.000 -1.536) 5.323 32.936 ( 11.852 0.000 2.176) 12.051 33.449 ( 10.428 0.000 0.232) 10.431 33.462 ( -0.672 0.000 -1.582) 1.719 33.635 ( -0.222 0.000 0.449) 0.501 33.871 ( -5.092 0.000 5.842) 7.750 33.941 ( -1.711 0.000 -4.421) 4.741 34.367 ( 8.490 0.000 2.299) 8.796 34.536 ( -4.882 0.000 2.630) 5.546 34.785 ( -8.072 0.000 3.435) 8.773 34.815 ( -0.461 0.000 -1.147) 1.236 35.074 ( -4.811 0.000 -1.528) 5.048 35.888 ( -3.222 0.000 -0.204) 3.229 36.351 ( 5.964 0.000 -0.249) 5.969 90.930 ( -0.529 0.000 -0.436) 0.686 90.991 ( 1.493 0.000 1.053) 1.828 91.584 ( 0.554 0.000 -8.246) 8.265 91.665 ( -0.203 0.000 -5.183) 5.187 93.563 ( -0.311 0.000 0.113) 0.331 93.589 ( 0.428 0.000 0.228) 0.485 94.213 ( -0.631 0.000 1.742) 1.853 94.594 ( 11.643 0.000 -4.281) 12.405 94.868 ( -3.863 0.000 -2.475) 4.588 95.301 ( 12.019 0.000 -56.438) 57.704 96.147 ( -34.333 0.000 -1.514) 34.366 97.718 ( 8.483 0.000 2.844) 8.947 98.078 ( 0.025 0.000 -0.418) 0.419 98.111 ( 1.334 0.000 0.973) 1.651 98.205 ( -3.655 0.000 7.427) 8.278 99.180 ( 27.997 0.000 -1.430) 28.033 102.394 ( -0.459 0.000 -0.458) 0.648 102.406 ( 0.123 0.000 0.339) 0.361 102.672 ( -2.930 0.000 1.020) 3.103 102.812 ( 1.160 0.000 -1.650) 2.017 107.588 ( -0.223 0.000 -0.690) 0.725 107.588 ( 0.086 0.000 0.417) 0.426 107.897 ( -2.464 0.000 -0.317) 2.484 108.008 ( 0.880 0.000 3.688) 3.792 ======================= Grid point 106 (38/126) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( 5.162 0.000 69.586) 69.777 0.730 ( -45.488 0.000 7.473) 46.098 1.182 ( -77.222 0.000 5.351) 77.408 1.879 ( -16.190 0.000 -6.713) 17.527 2.015 ( -43.998 0.000 -5.131) 44.296 3.433 ( 31.657 0.000 4.093) 31.920 3.554 ( 7.499 0.000 3.234) 8.166 4.066 ( 18.991 0.000 -5.142) 19.675 5.310 ( -37.774 0.000 14.454) 40.445 5.904 ( 1.489 0.000 -9.055) 9.177 5.946 ( 17.460 0.000 -1.665) 17.540 6.514 ( -9.258 0.000 -10.849) 14.262 6.637 ( 33.678 0.000 -1.613) 33.717 7.201 ( 20.438 0.000 -4.934) 21.025 7.262 ( 9.100 0.000 0.720) 9.128 7.278 ( -7.231 0.000 1.778) 7.447 7.419 ( 7.360 0.000 -0.402) 7.371 7.420 ( 11.387 0.000 1.594) 11.498 7.606 ( 1.856 0.000 -3.641) 4.087 7.724 ( 9.108 0.000 -7.986) 12.113 7.869 ( -4.824 0.000 -10.746) 11.779 8.059 ( 1.049 0.000 11.312) 11.360 8.119 ( -0.663 0.000 1.688) 1.813 8.257 ( 9.086 0.000 -2.699) 9.479 8.496 ( -5.449 0.000 0.340) 5.460 8.506 ( 5.121 0.000 -3.006) 5.938 8.541 ( -3.157 0.000 2.579) 4.077 8.850 ( -4.386 0.000 -0.936) 4.485 8.973 ( -19.711 0.000 0.618) 19.721 9.108 ( -9.772 0.000 -5.812) 11.370 9.251 ( -8.006 0.000 1.005) 8.069 9.392 ( -16.824 0.000 -2.680) 17.036 9.483 ( -10.945 0.000 1.011) 10.992 9.636 ( -2.444 0.000 -2.932) 3.817 9.867 ( -0.896 0.000 10.446) 10.484 10.095 ( 3.063 0.000 -2.693) 4.079 10.351 ( -7.974 0.000 4.523) 9.167 10.442 ( -12.041 0.000 1.178) 12.098 10.702 ( -0.971 0.000 1.347) 1.660 10.744 ( 2.459 0.000 -0.120) 2.462 10.912 ( -5.442 0.000 2.308) 5.911 10.966 ( 0.830 0.000 -6.396) 6.450 11.145 ( -8.629 0.000 -13.517) 16.036 11.237 ( 1.962 0.000 -1.205) 2.302 11.441 ( -1.337 0.000 -2.793) 3.096 11.628 ( -2.007 0.000 1.948) 2.796 11.659 ( -2.750 0.000 3.594) 4.526 11.789 ( 8.495 0.000 -0.693) 8.523 12.054 ( 8.801 0.000 -1.289) 8.895 12.075 ( 2.535 0.000 0.463) 2.577 12.263 ( 12.034 0.000 5.964) 13.431 12.318 ( 4.765 0.000 2.599) 5.428 12.479 ( -3.445 0.000 -0.153) 3.448 12.697 ( 3.724 0.000 -1.602) 4.054 12.783 ( -4.238 0.000 1.050) 4.366 13.028 ( 9.691 0.000 1.235) 9.770 13.040 ( 12.365 0.000 2.708) 12.657 13.174 ( -4.213 0.000 -8.986) 9.925 13.201 ( 0.069 0.000 -0.890) 0.892 13.289 ( 0.387 0.000 -1.455) 1.505 13.513 ( -9.927 0.000 5.665) 11.430 13.569 ( -1.755 0.000 -1.192) 2.122 13.707 ( 0.798 0.000 0.402) 0.894 13.838 ( -8.221 0.000 4.682) 9.461 14.628 ( 8.999 0.000 -4.484) 10.054 14.736 ( 9.576 0.000 0.665) 9.599 14.874 ( 6.284 0.000 1.892) 6.562 14.925 ( 3.404 0.000 -2.152) 4.027 15.255 ( -3.417 0.000 5.173) 6.200 15.283 ( 0.586 0.000 1.523) 1.632 15.429 ( 4.140 0.000 -3.235) 5.254 15.432 ( -0.328 0.000 -5.138) 5.148 15.730 ( -0.946 0.000 -3.777) 3.894 15.919 ( -10.776 0.000 -1.940) 10.949 15.946 ( 10.895 0.000 -0.402) 10.903 16.171 ( 2.176 0.000 -9.943) 10.178 16.197 ( -2.726 0.000 -5.254) 5.919 16.266 ( 3.401 0.000 13.520) 13.941 16.287 ( -3.825 0.000 5.649) 6.822 16.368 ( -0.147 0.000 10.331) 10.332 16.608 ( 6.499 0.000 7.146) 9.659 16.703 ( -6.316 0.000 -1.473) 6.486 16.911 ( -15.225 0.000 -2.872) 15.493 17.624 ( -21.612 0.000 -25.693) 33.574 17.828 ( 2.316 0.000 -2.570) 3.459 17.952 ( -3.722 0.000 1.167) 3.900 18.110 ( 19.791 0.000 20.455) 28.462 18.319 ( 1.026 0.000 11.390) 11.436 18.604 ( -0.321 0.000 -2.205) 2.228 18.670 ( -0.416 0.000 -1.677) 1.728 18.756 ( -1.121 0.000 -1.037) 1.527 19.253 ( 58.032 0.000 94.283) 110.712 19.527 ( 1.770 0.000 0.660) 1.889 19.559 ( -0.122 0.000 2.315) 2.319 19.756 ( -51.670 0.000 -78.533) 94.006 20.449 ( -0.483 0.000 -0.809) 0.942 20.722 ( -1.310 0.000 -3.997) 4.206 20.965 ( -2.187 0.000 -4.180) 4.718 21.104 ( 0.572 0.000 -0.682) 0.890 22.082 ( 3.334 0.000 0.893) 3.452 23.605 ( -4.865 0.000 -4.378) 6.545 24.157 ( 3.489 0.000 -14.568) 14.980 24.252 ( -5.854 0.000 -24.180) 24.878 24.497 ( -3.891 0.000 12.889) 13.463 24.544 ( -8.674 0.000 4.022) 9.561 24.999 ( 4.023 0.000 2.574) 4.777 25.131 ( -0.215 0.000 0.830) 0.857 25.280 ( 0.523 0.000 1.940) 2.009 25.533 ( 13.561 0.000 -5.458) 14.618 25.870 ( -6.278 0.000 4.311) 7.616 26.073 ( 2.430 0.000 8.809) 9.138 26.375 ( 15.223 0.000 28.660) 32.452 27.078 ( 4.477 0.000 0.962) 4.579 27.466 ( 12.148 0.000 -1.719) 12.269 27.777 ( -3.701 0.000 -0.541) 3.740 28.109 ( -6.662 0.000 0.742) 6.704 28.731 ( -0.499 0.000 0.876) 1.008 29.199 ( -3.453 0.000 -8.014) 8.726 29.478 ( 0.701 0.000 -3.288) 3.362 29.517 ( 4.264 0.000 13.267) 13.936 29.667 ( -1.940 0.000 -0.156) 1.946 29.766 ( -0.384 0.000 1.614) 1.659 30.340 ( -10.777 0.000 -2.740) 11.120 30.556 ( -5.533 0.000 -7.737) 9.512 31.471 ( 10.416 0.000 5.730) 11.888 31.639 ( 1.445 0.000 -3.665) 3.940 31.734 ( -12.819 0.000 -4.304) 13.522 32.133 ( -3.614 0.000 2.166) 4.213 32.150 ( 3.844 0.000 0.115) 3.845 32.232 ( 0.783 0.000 0.834) 1.144 32.715 ( 5.302 0.000 1.573) 5.531 33.075 ( 5.956 0.000 -1.835) 6.232 33.379 ( -6.726 0.000 -0.603) 6.753 33.600 ( 2.450 0.000 -6.875) 7.299 33.685 ( 4.963 0.000 -0.294) 4.972 33.792 ( -6.239 0.000 -18.076) 19.122 33.859 ( -4.468 0.000 3.541) 5.701 34.142 ( -23.655 0.000 -40.237) 46.675 34.489 ( -3.510 0.000 -0.013) 3.510 34.714 ( -7.197 0.000 3.146) 7.855 34.734 ( 3.731 0.000 -6.570) 7.555 34.948 ( -5.608 0.000 -4.073) 6.931 35.839 ( -3.578 0.000 3.214) 4.809 36.404 ( 3.557 0.000 -2.505) 4.350 90.922 ( -0.054 0.000 -0.282) 0.287 91.014 ( 0.742 0.000 0.382) 0.834 91.651 ( 1.078 0.000 1.809) 2.106 91.926 ( 24.695 0.000 42.253) 48.940 93.561 ( -0.054 0.000 0.441) 0.445 93.591 ( 0.231 0.000 -0.758) 0.792 94.241 ( -0.979 0.000 4.395) 4.502 94.726 ( 15.755 0.000 2.729) 15.990 94.836 ( -2.581 0.000 3.847) 4.632 95.639 ( 15.905 0.000 43.533) 46.348 95.747 ( 42.765 0.000 90.899) 100.457 97.809 ( 1.951 0.000 1.205) 2.293 98.075 ( 0.354 0.000 -0.372) 0.513 98.132 ( 0.450 0.000 0.129) 0.468 98.350 ( 10.570 0.000 22.767) 25.101 99.517 ( 19.175 0.000 -0.929) 19.198 102.385 ( -0.136 0.000 -0.168) 0.217 102.409 ( -0.077 0.000 0.165) 0.182 102.641 ( -2.554 0.000 0.424) 2.589 102.745 ( -5.193 0.000 -9.357) 10.702 107.580 ( 0.120 0.000 -0.465) 0.480 107.592 ( -0.111 0.000 0.288) 0.308 107.863 ( -1.338 0.000 -0.579) 1.458 107.997 ( -5.200 0.000 -9.180) 10.551 ======================= Grid point 107 (39/126) ======================= q-point: ( 0.00 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 15.680 46.745 4.749) 49.533 1.518 ( -4.522 38.030 28.664) 47.836 1.607 ( -4.276 38.461 36.758) 53.373 1.837 ( -5.915 24.862 -3.328) 25.771 2.245 ( 9.891 48.123 -6.568) 49.566 3.941 ( 4.173 17.213 6.742) 18.951 3.980 ( -0.321 29.780 4.561) 30.129 4.437 ( 14.535 15.693 -9.990) 23.608 5.029 ( -27.880 2.373 16.079) 32.272 5.707 ( 1.831 -1.828 -17.934) 18.119 5.993 ( -10.084 3.022 -12.871) 16.628 6.356 ( 15.213 -1.626 -10.402) 18.501 6.825 ( 8.806 -17.107 2.440) 19.395 7.077 ( -9.298 -10.409 4.122) 14.553 7.224 ( -2.967 -2.985 -0.060) 4.210 7.276 ( 1.007 -2.659 1.454) 3.194 7.312 ( -4.049 -5.151 -0.211) 6.555 7.379 ( 7.748 -17.621 -7.827) 20.779 7.530 ( 0.893 -0.420 -5.775) 5.858 7.711 ( 4.903 -4.575 -3.418) 7.527 7.965 ( 0.220 -4.258 -0.480) 4.291 8.064 ( -4.165 -5.837 -0.410) 7.183 8.128 ( -5.817 -2.672 4.826) 8.017 8.196 ( 1.971 -12.416 0.450) 12.579 8.376 ( 6.757 -12.449 1.556) 14.250 8.415 ( -2.547 -11.090 1.124) 11.434 8.517 ( 0.768 -5.506 1.231) 5.694 8.650 ( 0.189 -6.934 -1.099) 7.023 8.707 ( -3.770 2.811 2.166) 5.178 8.870 ( 2.122 0.363 -2.323) 3.167 9.090 ( 3.198 0.379 -1.806) 3.692 9.201 ( -3.337 -1.286 -0.059) 3.576 9.599 ( -3.874 4.956 -0.353) 6.300 9.685 ( 3.948 9.026 -0.411) 9.861 9.995 ( -2.136 7.492 6.083) 9.884 10.291 ( 2.783 6.715 -1.475) 7.417 10.422 ( 5.636 7.179 4.790) 10.307 10.473 ( -6.625 11.009 5.510) 13.981 10.740 ( -1.149 -3.533 1.756) 4.110 10.873 ( -4.878 6.458 0.912) 8.145 10.922 ( 3.537 5.453 1.709) 6.721 10.998 ( -1.457 12.709 -0.036) 12.792 11.179 ( 3.802 6.426 -2.524) 7.882 11.310 ( -1.507 2.747 -5.259) 6.122 11.601 ( 0.390 -4.724 -0.355) 4.754 11.634 ( 2.643 -1.687 4.233) 5.267 11.683 ( 0.070 -1.955 1.460) 2.441 11.890 ( 9.145 -3.196 -0.354) 9.694 12.001 ( -2.511 -2.556 -1.327) 3.821 12.167 ( 3.453 -11.973 0.652) 12.478 12.247 ( -0.276 -5.602 -3.208) 6.461 12.352 ( -6.958 -5.428 3.279) 9.414 12.532 ( 8.985 -10.486 0.467) 13.817 12.679 ( -2.391 8.545 -2.297) 9.165 12.789 ( 1.131 -7.581 1.029) 7.734 12.939 ( 2.881 1.949 -2.874) 4.512 12.961 ( 3.025 -18.180 -6.469) 19.532 13.121 ( 2.729 0.698 -7.361) 7.882 13.165 ( 2.459 5.534 -2.318) 6.484 13.298 ( -1.483 3.902 -1.515) 4.441 13.367 ( -4.831 -1.249 7.011) 8.605 13.615 ( 0.329 3.207 0.327) 3.241 13.787 ( 4.034 11.818 2.235) 12.686 14.083 ( -11.269 14.321 0.739) 18.238 14.680 ( 0.597 -4.983 -3.479) 6.107 14.713 ( 2.941 2.176 -2.991) 4.726 14.872 ( -0.223 -0.002 -1.325) 1.344 14.955 ( 1.633 1.787 -2.159) 3.244 15.144 ( -9.072 -5.239 4.047) 11.231 15.325 ( -7.001 0.583 3.227) 7.731 15.378 ( 2.622 -4.430 -0.365) 5.161 15.461 ( 3.904 3.369 -2.518) 5.739 15.690 ( 8.319 4.822 -5.538) 11.096 15.713 ( -4.609 0.683 1.698) 4.959 15.884 ( -3.292 1.111 -2.849) 4.494 16.006 ( -5.162 1.384 -5.820) 7.902 16.181 ( 3.510 1.312 0.467) 3.776 16.215 ( -6.115 3.285 -7.533) 10.244 16.329 ( -2.728 -6.200 10.039) 12.111 16.536 ( 7.839 -5.800 1.324) 9.841 16.634 ( -1.578 -0.725 8.557) 8.731 16.778 ( 1.088 2.535 3.307) 4.307 16.932 ( 8.602 2.710 7.993) 12.051 17.074 ( -21.185 7.818 -1.429) 22.627 17.819 ( 3.856 -4.248 -2.617) 6.306 17.899 ( -1.862 0.350 0.681) 2.013 18.093 ( -5.307 -4.430 3.785) 7.881 18.275 ( -3.234 2.799 -2.926) 5.182 18.544 ( -2.881 -1.472 -1.183) 3.445 18.602 ( 0.681 -1.375 -3.301) 3.641 18.738 ( 3.116 7.727 -4.826) 9.629 18.905 ( -13.827 14.547 -11.569) 23.166 19.553 ( 1.346 -0.325 1.772) 2.249 19.581 ( -1.430 0.475 1.240) 1.952 20.440 ( 4.542 -10.224 5.815) 12.609 20.606 ( 13.289 -18.920 11.260) 25.717 20.739 ( 1.040 0.996 -2.039) 2.496 20.910 ( 14.552 -17.604 14.381) 26.990 21.151 ( 1.514 2.515 0.092) 2.937 22.161 ( -4.018 -4.279 -15.470) 16.547 23.640 ( -0.204 4.751 1.722) 5.058 24.044 ( -1.354 5.178 -14.742) 15.683 24.324 ( 5.903 -4.793 -0.547) 7.623 24.530 ( -4.130 -7.901 -2.513) 9.263 24.807 ( 11.503 6.729 8.537) 15.826 25.057 ( 0.672 -3.838 2.568) 4.666 25.186 ( 4.910 -0.440 0.480) 4.953 25.281 ( 0.771 0.197 4.058) 4.135 25.632 ( 6.058 0.892 -6.364) 8.831 25.838 ( -6.466 7.948 0.488) 10.258 26.253 ( -0.534 -5.998 19.486) 20.396 26.514 ( 3.349 -8.982 11.738) 15.155 27.430 ( -2.528 -9.424 -8.350) 12.842 27.740 ( 9.474 9.946 -9.082) 16.467 27.857 ( 7.731 2.437 5.235) 9.649 27.947 ( -8.983 7.008 -6.004) 12.878 28.905 ( 1.608 0.751 5.579) 5.854 28.946 ( -4.021 2.287 -2.877) 5.448 29.403 ( 3.545 -0.914 7.814) 8.629 29.635 ( -11.863 1.008 -2.476) 12.160 29.706 ( -0.494 1.033 -1.089) 1.580 29.883 ( 8.822 7.946 -6.257) 13.421 30.088 ( -15.352 11.716 -7.757) 20.811 30.246 ( 2.036 2.077 -3.966) 4.918 31.514 ( -9.728 -0.279 -1.462) 9.841 31.622 ( 4.029 -1.192 -2.014) 4.659 31.720 ( 9.345 -0.833 6.795) 11.584 32.055 ( -3.127 -3.244 -2.487) 5.146 32.249 ( 0.318 1.855 0.489) 1.944 32.309 ( -1.138 3.361 -2.927) 4.600 32.774 ( -1.387 -2.743 3.236) 4.463 33.091 ( -4.688 1.416 -2.678) 5.581 33.169 ( 9.211 2.257 -4.815) 10.636 33.241 ( -0.563 -5.970 -1.470) 6.174 33.753 ( -3.110 1.013 0.902) 3.393 33.908 ( -0.155 4.426 -1.766) 4.767 33.915 ( 7.136 5.410 -0.401) 8.964 34.010 ( 0.231 8.112 -5.066) 9.566 34.542 ( -2.314 11.491 -2.108) 11.909 34.656 ( -2.177 -1.341 1.963) 3.224 34.835 ( 7.787 3.711 -4.656) 9.803 34.878 ( -2.682 5.564 -3.791) 7.247 35.879 ( -0.847 -1.082 6.676) 6.816 36.389 ( 0.855 -0.154 -4.986) 5.061 90.931 ( 0.371 0.788 0.184) 0.890 91.014 ( -0.903 0.913 -1.254) 1.795 91.711 ( 1.831 -2.025 6.489) 7.040 91.985 ( -3.089 -14.543 9.713) 17.759 93.576 ( -0.135 2.006 -0.154) 2.017 93.603 ( -0.137 2.245 -1.339) 2.618 94.284 ( -2.009 -0.941 6.675) 7.034 94.798 ( 0.712 -2.891 -4.832) 5.676 94.870 ( -0.186 -1.142 6.070) 6.179 95.399 ( 2.572 -4.937 -4.548) 7.188 96.804 ( 16.886 -77.234 71.885) 106.854 97.822 ( -0.298 -5.271 -0.416) 5.296 97.911 ( 0.397 -4.869 -2.032) 5.290 98.120 ( -4.952 -3.470 1.426) 6.213 99.042 ( -1.563 -12.383 14.922) 19.454 99.528 ( 1.666 -11.661 -0.927) 11.816 102.393 ( 0.381 0.711 0.184) 0.828 102.414 ( -0.586 0.852 -0.272) 1.069 102.611 ( 0.867 5.030 1.189) 5.241 102.853 ( 1.425 8.260 -8.153) 11.693 107.581 ( 0.501 -0.018 -0.090) 0.509 107.587 ( -0.607 0.026 -0.257) 0.660 107.746 ( -1.381 -0.275 1.201) 1.851 107.839 ( 0.224 -0.739 -1.036) 1.292 ======================= Grid point 108 (40/126) ======================= q-point: ( 0.12 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 16.337 28.148 11.630) 34.561 1.678 ( 12.822 25.116 -10.930) 30.244 1.903 ( 45.469 52.217 1.892) 69.265 2.498 ( 28.056 30.722 18.785) 45.650 2.587 ( 19.771 22.340 34.822) 45.853 3.932 ( -13.737 20.314 8.148) 25.841 3.979 ( -11.205 25.303 6.975) 28.539 4.276 ( -6.501 14.681 -22.300) 27.478 4.886 ( -18.560 1.190 4.397) 19.110 5.498 ( -17.255 0.945 -18.177) 25.081 5.718 ( 15.269 1.821 -4.226) 15.947 6.502 ( 14.446 -3.267 -9.161) 17.415 6.643 ( -22.998 -16.603 1.137) 28.387 6.857 ( -29.753 -13.003 -8.772) 33.634 7.106 ( -1.700 -8.328 4.012) 9.399 7.210 ( -7.051 -3.100 0.873) 7.751 7.317 ( -0.389 -0.302 0.870) 1.000 7.438 ( -0.125 -3.966 -0.255) 3.977 7.507 ( 5.255 -3.435 -4.947) 7.993 7.672 ( 1.490 -0.772 -7.717) 7.898 7.939 ( -6.425 -3.900 -0.951) 7.576 8.000 ( -13.085 -2.959 1.000) 13.453 8.128 ( 2.745 1.864 8.143) 8.793 8.238 ( 3.157 -5.569 -2.541) 6.888 8.413 ( -1.301 -3.551 1.687) 4.141 8.574 ( 7.908 -13.384 0.809) 15.567 8.600 ( 10.406 -13.580 3.236) 17.412 8.635 ( 3.517 -12.230 0.478) 12.734 8.755 ( 11.660 -5.129 1.835) 12.870 8.850 ( 2.586 -4.228 -5.216) 7.195 9.107 ( 0.433 -3.199 -1.144) 3.425 9.275 ( 11.543 1.902 -1.372) 11.779 9.562 ( -0.808 5.263 1.970) 5.678 9.790 ( 10.020 8.265 -0.565) 13.001 10.077 ( 2.455 8.553 5.446) 10.432 10.311 ( 3.928 2.440 -2.820) 5.416 10.493 ( -0.762 10.751 5.941) 12.307 10.605 ( 9.747 4.650 2.651) 11.120 10.741 ( -2.653 -2.092 2.907) 4.456 10.825 ( -3.593 6.229 1.810) 7.415 10.951 ( -0.034 8.743 -1.278) 8.836 11.022 ( 2.317 6.647 0.908) 7.097 11.180 ( 4.429 2.776 -3.995) 6.579 11.290 ( 1.891 7.743 -1.588) 8.127 11.614 ( -2.388 -9.637 4.210) 10.784 11.652 ( -3.576 -2.827 2.099) 5.018 11.771 ( 3.095 -2.922 4.334) 6.075 11.914 ( -4.232 -1.449 2.423) 5.088 11.984 ( 3.770 -1.623 -2.148) 4.633 12.094 ( -5.932 1.643 -6.785) 9.161 12.250 ( -5.052 -13.729 3.314) 15.000 12.315 ( -0.197 -6.337 2.272) 6.735 12.515 ( -0.785 -7.617 -9.245) 12.004 12.605 ( -3.725 5.098 -1.669) 6.530 12.779 ( -3.121 -5.940 0.180) 6.712 12.860 ( -4.892 3.298 -2.476) 6.399 12.923 ( -2.376 -18.096 -4.835) 18.881 13.080 ( -4.335 9.147 -4.891) 11.241 13.123 ( 3.105 -3.519 -4.267) 6.343 13.289 ( 5.250 2.483 0.597) 5.838 13.454 ( -0.809 -0.733 4.066) 4.210 13.626 ( 6.191 2.928 0.269) 6.854 13.897 ( 0.486 8.545 2.722) 8.981 13.967 ( 0.567 15.251 -0.771) 15.281 14.603 ( -4.477 0.689 -3.457) 5.699 14.660 ( -4.962 -3.028 -2.516) 6.334 14.818 ( -5.402 2.505 -1.303) 6.095 14.905 ( -3.207 0.936 -0.944) 3.472 15.068 ( -5.306 -3.753 2.248) 6.877 15.224 ( -7.031 0.200 -1.047) 7.112 15.466 ( 8.524 -3.024 -0.460) 9.056 15.506 ( -3.015 4.379 3.206) 6.209 15.623 ( 2.360 4.453 -5.526) 7.479 15.712 ( -6.110 3.980 -4.434) 8.534 15.848 ( 2.706 3.971 -2.347) 5.348 15.936 ( -3.829 7.054 4.670) 9.286 16.076 ( 4.373 -1.467 -2.073) 5.057 16.209 ( 3.660 1.913 -2.286) 4.721 16.427 ( -1.630 -8.493 8.537) 12.152 16.702 ( 9.638 -3.551 2.958) 10.689 16.734 ( 0.253 2.834 9.379) 9.801 16.876 ( -5.904 1.930 5.118) 8.048 16.924 ( 7.738 -3.367 3.065) 8.978 17.256 ( 15.595 -0.051 6.670) 16.962 17.821 ( -0.407 -7.694 -2.875) 8.224 17.908 ( 2.971 0.663 -0.834) 3.156 18.066 ( -2.461 2.671 3.450) 5.009 18.197 ( -0.277 6.283 -3.100) 7.011 18.482 ( -1.425 0.096 -2.003) 2.460 18.594 ( 4.129 -1.654 -2.947) 5.336 18.726 ( -2.612 6.850 -3.456) 8.105 18.775 ( 5.459 7.284 0.310) 9.107 19.565 ( -2.201 0.395 1.046) 2.469 19.601 ( 0.991 -0.988 2.512) 2.876 20.516 ( -0.187 -9.167 2.188) 9.426 20.616 ( -1.584 -9.828 -3.490) 10.549 20.824 ( 3.591 5.491 0.298) 6.568 20.861 ( -4.185 3.165 -7.242) 8.943 21.477 ( 3.652 -19.688 12.764) 23.746 21.799 ( -13.309 -10.368 -17.068) 23.999 23.666 ( 0.569 4.443 2.129) 4.959 23.878 ( 0.162 5.257 -10.266) 11.535 24.336 ( -8.612 -4.069 -2.533) 9.856 24.458 ( -0.873 -15.006 3.637) 15.465 24.858 ( -4.938 3.512 -1.048) 6.150 25.076 ( -4.500 -5.543 2.675) 7.624 25.257 ( 3.663 3.694 0.014) 5.202 25.432 ( 8.907 -2.722 -1.276) 9.400 25.610 ( -4.751 6.812 -3.594) 9.049 25.790 ( 8.749 9.465 2.307) 13.094 26.390 ( -14.033 -0.851 10.360) 17.464 26.711 ( 3.544 -19.804 14.212) 24.632 27.288 ( -1.432 -8.107 -3.092) 8.794 27.666 ( -1.018 10.008 -11.770) 15.484 27.754 ( -9.656 12.006 0.625) 15.420 27.911 ( -7.076 1.434 -0.734) 7.257 28.828 ( -0.152 1.939 4.244) 4.668 29.119 ( 8.060 3.201 1.862) 8.870 29.398 ( -9.323 3.336 -2.909) 10.320 29.579 ( 5.595 -1.906 7.467) 9.524 29.629 ( -2.823 5.364 -4.834) 7.753 29.931 ( 3.767 9.751 -3.107) 10.906 30.046 ( 10.606 -0.210 1.553) 10.721 30.321 ( 12.937 1.403 -3.172) 13.394 31.391 ( -6.513 1.362 1.396) 6.799 31.675 ( 5.479 -1.394 -0.697) 5.697 31.893 ( -0.193 -4.138 0.228) 4.149 31.987 ( 4.000 -2.537 -0.763) 4.798 32.241 ( -2.750 3.090 0.942) 4.242 32.254 ( -2.566 4.428 -0.192) 5.121 32.764 ( -5.868 -2.696 5.350) 8.386 32.960 ( -8.210 -1.924 -4.005) 9.335 33.271 ( 8.886 -5.816 -2.324) 10.872 33.296 ( 9.018 -3.587 -3.573) 10.342 33.715 ( -2.931 1.648 -0.814) 3.460 33.850 ( -5.824 4.077 1.747) 7.320 33.952 ( -0.004 6.653 -2.868) 7.245 34.027 ( 7.009 4.782 -2.015) 8.721 34.490 ( -1.638 7.643 -0.887) 7.867 34.674 ( -0.310 -0.216 1.657) 1.700 34.812 ( 4.865 11.045 -5.881) 13.426 34.933 ( 9.606 0.233 -2.155) 9.848 35.953 ( -1.686 -1.212 7.297) 7.587 36.308 ( -1.369 -0.208 -6.665) 6.808 90.946 ( -0.069 0.326 0.650) 0.731 90.977 ( -0.823 1.448 -1.158) 2.029 91.835 ( 2.112 -2.771 7.809) 8.551 91.975 ( -5.044 -7.192 1.339) 8.886 93.570 ( -0.311 2.235 -0.351) 2.284 93.594 ( 0.691 2.058 -0.384) 2.205 94.334 ( -3.931 -1.269 7.543) 8.600 94.655 ( -7.353 -0.998 -5.669) 9.338 95.006 ( 5.881 -2.373 10.288) 12.086 95.507 ( 20.601 -6.271 -9.279) 23.448 97.387 ( -14.439 -48.077 27.456) 57.217 97.787 ( -3.134 -20.624 -1.196) 20.895 97.920 ( -0.834 -2.226 4.361) 4.967 98.049 ( -3.772 -1.444 -1.904) 4.465 98.852 ( -37.370 -2.345 12.526) 39.483 99.469 ( -12.104 -7.430 -1.557) 14.288 102.402 ( -0.381 0.675 -0.404) 0.874 102.406 ( 0.720 0.745 0.453) 1.131 102.628 ( 0.243 4.010 0.289) 4.028 102.814 ( 3.875 6.523 -4.365) 8.754 107.573 ( -0.294 0.038 -0.526) 0.604 107.594 ( 0.881 -0.028 0.192) 0.902 107.785 ( 3.362 -1.173 0.285) 3.572 107.844 ( 2.180 -0.882 -0.952) 2.537 ======================= Grid point 109 (41/126) ======================= q-point: ( 0.25 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 23.716 27.100 11.276) 37.736 1.892 ( 39.165 5.329 -10.845) 40.986 2.640 ( 45.359 37.219 5.606) 58.941 3.115 ( 46.785 35.013 -2.006) 58.470 3.333 ( 10.770 7.640 32.670) 35.238 3.702 ( -8.676 6.383 -30.494) 32.340 3.806 ( -16.987 22.185 2.470) 28.051 3.913 ( -11.531 29.143 -0.600) 31.347 4.664 ( -23.180 2.718 14.367) 27.407 5.007 ( -17.611 3.806 -10.827) 21.020 5.947 ( -9.562 -7.737 2.304) 12.515 6.147 ( -22.965 -11.246 -5.116) 26.078 6.310 ( -26.674 -8.659 2.128) 28.125 6.721 ( 24.693 0.533 -13.288) 28.047 7.092 ( -7.228 -7.908 2.860) 11.088 7.129 ( -5.658 -1.424 3.089) 6.602 7.270 ( -5.138 -1.682 -0.595) 5.439 7.360 ( -7.383 -1.417 0.968) 7.580 7.551 ( 3.612 -1.845 -3.301) 5.230 7.580 ( -5.255 1.984 -5.014) 7.529 7.773 ( -8.465 2.733 -0.237) 8.899 7.888 ( -7.440 -3.201 2.870) 8.592 8.158 ( -4.741 0.803 1.484) 5.032 8.245 ( -5.058 0.349 4.266) 6.626 8.427 ( 5.752 -5.157 -1.934) 7.964 8.593 ( 0.417 -2.673 -2.230) 3.506 8.677 ( -1.146 -4.362 2.365) 5.093 8.794 ( -0.277 -4.143 -2.449) 4.821 8.901 ( 17.659 -16.889 -0.743) 24.447 9.107 ( 19.608 -19.228 2.630) 27.588 9.184 ( 23.630 -14.137 -1.350) 27.569 9.401 ( 7.210 0.741 -0.424) 7.260 9.613 ( 3.421 -1.880 1.664) 4.243 9.921 ( 6.686 0.780 0.479) 6.748 10.175 ( 4.251 11.187 1.314) 12.040 10.344 ( 4.699 0.766 -1.714) 5.060 10.568 ( 2.216 7.150 3.315) 8.187 10.707 ( 1.014 0.132 0.603) 1.188 10.756 ( 0.092 3.751 2.342) 4.423 10.810 ( -5.655 4.174 1.897) 7.280 10.905 ( 0.480 5.629 -2.557) 6.201 11.077 ( 3.835 8.865 1.656) 9.799 11.224 ( 6.397 5.421 -3.487) 9.081 11.265 ( -3.527 3.619 -0.339) 5.065 11.505 ( -6.196 -2.057 -4.216) 7.772 11.733 ( 0.308 0.376 5.068) 5.092 11.815 ( 3.708 -1.801 -3.637) 5.497 11.940 ( 2.373 -3.487 -4.792) 6.384 11.961 ( -2.862 2.959 9.501) 10.355 12.018 ( 1.094 -2.656 0.331) 2.892 12.171 ( -6.224 0.603 -1.929) 6.544 12.292 ( -2.432 -13.534 -4.107) 14.351 12.418 ( -4.624 -6.726 0.717) 8.193 12.531 ( -4.511 7.836 0.664) 9.066 12.677 ( -7.961 -4.680 -1.988) 9.446 12.746 ( -11.332 -1.414 2.453) 11.680 12.846 ( 0.098 -9.085 -3.296) 9.665 12.971 ( -1.741 5.520 -3.242) 6.634 13.061 ( -5.576 -3.527 -3.711) 7.570 13.374 ( 8.198 -10.238 -0.772) 13.139 13.516 ( 2.387 3.005 3.220) 5.010 13.739 ( 3.899 1.722 1.672) 4.578 13.881 ( 4.240 14.040 -4.141) 15.240 14.085 ( 5.094 11.148 7.467) 14.352 14.410 ( -13.013 3.018 -4.303) 14.034 14.595 ( -1.495 -3.680 -0.963) 4.087 14.712 ( -6.728 2.197 -0.601) 7.103 14.872 ( -1.417 0.043 0.596) 1.538 15.044 ( -3.573 -2.878 3.418) 5.721 15.110 ( -6.382 0.142 -1.145) 6.485 15.429 ( -7.996 3.680 0.692) 8.829 15.565 ( -2.226 6.750 -3.337) 7.852 15.582 ( 5.944 1.412 -0.965) 6.186 15.659 ( 5.236 3.193 -2.619) 6.669 15.770 ( -3.811 -0.479 -1.141) 4.007 15.991 ( -0.963 3.245 5.335) 6.318 16.156 ( 3.728 -1.603 -2.030) 4.537 16.318 ( 7.991 -3.356 4.690) 9.855 16.499 ( 0.806 -4.649 4.637) 6.616 16.747 ( -2.812 3.608 -0.545) 4.607 16.886 ( 8.736 -7.246 2.257) 11.573 16.958 ( 4.355 -4.210 1.778) 6.313 17.052 ( 9.385 -2.578 0.207) 9.735 17.569 ( 13.204 2.700 8.427) 15.895 17.744 ( -1.736 -6.495 -5.082) 8.427 17.908 ( 0.906 -4.430 -2.691) 5.262 18.114 ( 3.146 4.877 1.634) 6.029 18.245 ( 3.235 9.142 5.528) 11.162 18.469 ( 0.376 3.625 0.752) 3.721 18.630 ( 2.299 0.766 -1.993) 3.137 18.716 ( 6.961 -0.897 0.571) 7.042 18.929 ( 10.353 5.629 7.295) 13.860 19.537 ( -2.522 -0.132 -0.359) 2.551 19.641 ( 0.604 -1.674 1.763) 2.505 20.410 ( -9.745 -7.375 -5.926) 13.582 20.592 ( -6.739 -1.109 -5.996) 9.088 20.638 ( -1.181 -5.058 -0.078) 5.194 20.943 ( -2.446 -0.200 -6.095) 6.571 21.145 ( -16.137 -2.330 -12.938) 20.814 21.766 ( -0.087 -13.217 8.965) 15.971 23.710 ( 0.668 4.773 3.164) 5.766 23.788 ( 1.084 3.886 -5.504) 6.824 24.107 ( -12.356 -0.959 -5.114) 13.406 24.500 ( -3.054 -15.505 4.840) 16.528 24.752 ( -5.423 2.082 -1.744) 6.065 25.012 ( -7.077 -5.697 1.021) 9.142 25.285 ( 1.396 7.691 -1.888) 8.041 25.410 ( -3.248 10.264 -6.575) 12.615 25.518 ( 4.570 -3.245 -5.060) 7.551 26.084 ( 16.305 7.157 7.249) 19.226 26.210 ( -12.300 1.101 1.224) 12.409 26.964 ( 2.891 -16.188 15.946) 22.906 27.249 ( -9.147 2.011 2.748) 9.760 27.400 ( -4.437 1.136 -23.439) 23.882 27.702 ( -3.642 7.112 6.008) 9.997 27.759 ( -8.734 10.459 0.236) 13.628 28.956 ( 3.695 0.258 7.082) 7.992 29.143 ( 3.154 5.531 -7.110) 9.544 29.332 ( -1.390 0.123 -0.598) 1.518 29.598 ( 2.670 2.688 2.664) 4.632 29.719 ( 2.830 -3.537 4.732) 6.551 29.901 ( -1.986 2.943 -2.196) 4.174 30.317 ( 18.893 0.220 3.480) 19.212 30.475 ( 10.309 -1.292 -1.501) 10.497 31.374 ( -0.028 1.511 3.375) 3.698 31.684 ( -6.412 0.318 -3.906) 7.515 31.828 ( 5.657 -2.112 -3.154) 6.813 32.068 ( 1.601 -5.684 0.234) 5.910 32.185 ( -6.480 0.968 1.765) 6.785 32.275 ( 4.329 3.861 1.326) 5.950 32.751 ( -5.913 -0.945 3.573) 6.973 32.780 ( -8.097 -0.933 -2.404) 8.497 33.337 ( 4.819 -3.211 -2.918) 6.485 33.387 ( 6.651 -6.235 0.390) 9.125 33.633 ( -4.590 2.194 -3.703) 6.292 33.797 ( -5.679 2.583 3.485) 7.146 33.927 ( 0.690 5.226 -1.184) 5.402 34.087 ( 5.303 5.605 -2.662) 8.163 34.479 ( 0.149 5.139 0.811) 5.205 34.672 ( 0.634 0.256 -1.128) 1.320 34.867 ( 7.486 10.210 -1.302) 12.727 35.046 ( 9.117 1.379 -2.005) 9.437 36.005 ( -3.711 -0.779 6.935) 7.904 36.199 ( -1.592 -0.205 -6.303) 6.505 90.918 ( -1.617 0.884 -0.963) 2.079 90.992 ( 0.881 0.946 1.261) 1.806 91.907 ( -3.078 -4.308 -2.175) 5.724 91.948 ( 1.148 -3.500 5.381) 6.521 93.563 ( -0.108 1.939 -0.102) 1.945 93.611 ( 1.315 2.221 0.305) 2.599 94.348 ( -5.750 -1.319 5.584) 8.123 94.500 ( -4.986 0.100 -3.924) 6.345 95.333 ( 16.399 -5.400 16.722) 24.036 95.687 ( 26.248 -8.862 -17.307) 32.665 97.202 ( -27.099 -25.001 -8.542) 37.847 97.664 ( -24.167 -31.978 10.865) 41.529 97.944 ( -3.817 -1.801 1.910) 4.633 98.017 ( -1.770 -7.782 4.727) 9.275 98.504 ( -19.447 14.191 3.151) 24.279 99.166 ( -21.479 5.670 -3.293) 22.457 102.393 ( -0.129 0.510 -0.310) 0.610 102.421 ( 0.473 0.747 0.371) 0.959 102.649 ( 2.967 2.340 -0.260) 3.787 102.822 ( 1.446 4.859 -1.308) 5.236 107.565 ( -0.080 0.029 -0.349) 0.359 107.608 ( 0.572 -0.059 0.131) 0.590 107.829 ( 2.485 -1.519 0.001) 2.913 107.878 ( 3.182 -1.507 -0.050) 3.522 ======================= Grid point 110 (42/126) ======================= q-point: ( 0.38 0.10 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 29.371 18.490 -0.240) 34.708 2.430 ( 31.863 18.437 1.752) 36.854 3.019 ( 4.444 9.197 -45.440) 46.574 3.224 ( 9.101 15.033 0.502) 17.580 3.368 ( -8.760 3.004 -18.057) 20.293 3.596 ( -17.223 19.491 3.639) 26.264 3.813 ( 23.254 24.308 0.438) 33.643 4.012 ( 44.467 30.567 -2.176) 54.004 4.663 ( -16.681 3.169 29.519) 34.054 4.935 ( -3.219 0.773 24.492) 24.715 5.351 ( -43.681 -5.492 -5.960) 44.426 5.616 ( -43.573 5.390 0.729) 43.911 6.450 ( 11.851 -9.258 6.889) 16.541 6.916 ( 19.297 1.605 -8.668) 21.216 6.994 ( -4.420 -5.030 -0.990) 6.769 7.122 ( -3.643 -3.756 3.257) 6.163 7.167 ( -6.782 -2.700 -0.489) 7.316 7.281 ( -6.744 1.143 2.175) 7.177 7.418 ( -6.041 -6.970 -2.247) 9.493 7.543 ( 1.153 0.190 -1.712) 2.072 7.696 ( -4.681 -0.040 -1.426) 4.894 7.846 ( -3.614 5.583 3.570) 7.548 8.096 ( -3.363 3.068 -1.038) 4.669 8.213 ( -5.052 -3.823 1.825) 6.594 8.506 ( 5.083 -2.568 -0.849) 5.758 8.570 ( 4.707 -4.847 -3.511) 7.615 8.667 ( -3.245 -4.810 2.060) 6.157 8.747 ( -2.821 -6.189 -1.361) 6.937 9.015 ( 3.144 -5.586 0.876) 6.470 9.424 ( 8.341 -3.515 2.393) 9.362 9.507 ( 18.528 -13.364 -1.064) 22.869 9.562 ( 15.713 -9.923 -1.641) 18.656 9.749 ( 20.221 -14.998 1.051) 25.198 9.969 ( -0.501 -5.357 -0.092) 5.381 10.213 ( 2.163 1.551 -2.658) 3.762 10.380 ( -0.836 -3.194 0.218) 3.308 10.577 ( -12.484 -4.181 1.251) 13.225 10.613 ( -8.306 -1.067 -0.816) 8.414 10.739 ( -4.519 -0.799 3.283) 5.643 10.785 ( 0.999 3.479 0.560) 3.662 10.938 ( 6.093 10.395 -1.992) 12.213 11.143 ( 2.904 11.038 -1.005) 11.458 11.223 ( 0.751 9.386 0.871) 9.456 11.286 ( 4.213 5.606 1.755) 7.229 11.413 ( 1.127 12.324 -4.047) 13.021 11.688 ( 3.716 6.735 -7.129) 10.488 11.875 ( -0.611 3.789 -2.116) 4.382 11.957 ( -6.281 -1.528 1.616) 6.663 12.012 ( 6.129 -3.983 -2.179) 7.627 12.022 ( 2.559 -1.023 -3.223) 4.240 12.083 ( 2.327 2.252 -2.244) 3.940 12.227 ( -3.069 -13.156 -0.924) 13.540 12.351 ( -8.330 -3.515 5.646) 10.659 12.464 ( -7.821 2.653 0.440) 8.270 12.557 ( -3.402 -2.441 -0.395) 4.206 12.646 ( -8.889 -0.468 6.896) 11.260 12.835 ( -0.881 -8.552 -0.044) 8.597 12.918 ( -2.319 -6.118 0.631) 6.573 12.978 ( -0.502 -3.000 -0.101) 3.043 13.470 ( 7.984 -5.288 -3.358) 10.148 13.602 ( 5.163 2.734 2.351) 6.298 13.740 ( -3.652 9.613 -0.577) 10.299 13.936 ( 4.018 5.333 0.953) 6.745 14.149 ( -8.802 -1.741 -1.451) 9.089 14.299 ( 4.366 14.649 4.314) 15.883 14.541 ( -3.991 4.473 -1.853) 6.274 14.646 ( -3.521 -1.750 3.520) 5.277 14.863 ( -0.560 -0.388 -0.369) 0.775 15.011 ( -3.669 1.921 -0.369) 4.158 15.064 ( -3.504 -6.296 6.154) 9.476 15.334 ( -3.577 3.344 -1.106) 5.020 15.532 ( -2.159 8.179 2.342) 8.777 15.620 ( 3.752 -1.652 -3.295) 5.260 15.706 ( 2.723 3.548 1.031) 4.590 15.751 ( -0.359 -2.107 2.145) 3.028 16.008 ( -3.077 -0.921 1.430) 3.516 16.177 ( 2.403 -1.066 -0.537) 2.683 16.399 ( -0.037 -7.049 -1.146) 7.142 16.575 ( 2.612 2.640 -0.022) 3.714 16.671 ( -1.140 2.946 -5.125) 6.021 16.939 ( 3.990 -6.796 -8.193) 11.368 17.078 ( 6.242 -11.404 6.591) 14.575 17.167 ( 7.023 -2.712 -4.461) 8.751 17.678 ( 1.171 -5.191 -4.250) 6.811 17.765 ( 1.144 5.480 5.343) 7.739 17.927 ( 0.090 -4.709 4.888) 6.788 18.154 ( 4.192 5.487 -5.656) 8.926 18.359 ( 0.641 5.146 6.289) 8.152 18.486 ( -0.902 6.346 1.863) 6.675 18.666 ( 3.788 -0.206 0.898) 3.899 18.853 ( 7.905 1.952 0.610) 8.165 19.231 ( 5.458 -6.787 8.954) 12.491 19.487 ( -1.591 0.129 -0.975) 1.870 19.667 ( 0.872 -0.978 0.095) 1.314 19.996 ( -15.584 -3.321 -17.900) 23.965 20.463 ( -1.279 0.107 -1.693) 2.125 20.558 ( -4.410 3.328 0.368) 5.537 20.726 ( -0.195 -14.009 0.255) 14.013 21.149 ( 2.340 6.584 2.313) 7.360 21.816 ( -5.381 -7.761 4.629) 10.518 23.749 ( -0.501 3.328 2.122) 3.979 23.773 ( 2.131 3.104 -0.355) 3.782 23.936 ( -5.418 2.498 0.870) 6.029 24.491 ( -5.652 -7.127 5.142) 10.449 24.697 ( 1.057 -3.069 -1.480) 3.567 24.913 ( -6.267 -6.522 -0.615) 9.066 25.248 ( 1.702 10.681 -5.238) 12.017 25.330 ( -0.605 10.034 -1.143) 10.116 25.537 ( 5.527 -2.897 -5.144) 8.088 26.088 ( -6.657 -2.217 5.869) 9.148 26.440 ( 17.549 5.903 2.656) 18.704 26.893 ( -11.006 5.277 -21.351) 24.593 27.054 ( -7.435 -4.420 -8.894) 12.407 27.273 ( 1.082 2.269 7.078) 7.511 27.639 ( -3.568 1.751 -1.054) 4.112 27.805 ( -3.351 7.300 14.037) 16.172 29.024 ( 0.792 -0.632 -3.155) 3.313 29.142 ( 3.978 5.145 -0.241) 6.508 29.312 ( -0.437 0.528 1.721) 1.852 29.699 ( 3.001 0.327 1.845) 3.538 29.780 ( -0.324 -2.174 1.827) 2.858 29.831 ( -1.078 -0.930 -4.151) 4.388 30.546 ( 2.421 -3.292 0.189) 4.090 30.609 ( 12.001 -1.342 2.405) 12.313 31.441 ( 0.471 0.168 2.864) 2.907 31.514 ( -2.659 3.888 -4.270) 6.358 31.911 ( 3.649 -3.469 1.149) 5.164 32.075 ( 1.896 -5.156 -1.021) 5.588 32.111 ( -5.683 0.648 1.363) 5.880 32.357 ( 4.428 0.040 -0.603) 4.469 32.607 ( -6.812 0.634 -1.830) 7.083 32.754 ( -4.443 0.153 2.817) 5.263 33.350 ( 2.065 -0.534 -2.395) 3.207 33.484 ( -1.839 -2.569 -1.013) 3.318 33.528 ( 2.503 -0.411 1.496) 2.945 33.778 ( -3.853 1.208 4.168) 5.803 33.947 ( 1.154 3.517 2.007) 4.210 34.117 ( 4.318 5.440 -3.274) 7.678 34.508 ( 0.418 3.789 2.824) 4.744 34.681 ( 1.819 -0.447 -0.320) 1.900 34.957 ( 4.571 9.896 0.808) 10.931 35.133 ( 6.278 2.022 -2.110) 6.925 36.017 ( -5.396 -0.526 5.424) 7.669 36.129 ( 1.058 0.065 -3.306) 3.472 90.897 ( -0.618 1.076 0.398) 1.303 91.009 ( -0.044 0.770 0.158) 0.787 91.833 ( -0.559 -3.212 -5.227) 6.160 91.985 ( -1.209 -3.998 -0.172) 4.180 93.565 ( 0.008 1.746 0.404) 1.792 93.628 ( 0.803 2.247 -0.432) 2.426 94.314 ( -5.510 -1.080 2.198) 6.030 94.418 ( -1.236 0.595 -1.885) 2.331 95.790 ( 25.017 -13.473 -27.406) 39.477 95.870 ( 22.711 -12.034 15.463) 29.995 96.476 ( -26.932 -12.807 -28.187) 41.035 97.378 ( -36.833 -24.069 15.208) 46.554 97.916 ( -0.275 -2.969 -0.862) 3.104 98.037 ( -4.465 -6.704 5.047) 9.506 98.417 ( 1.048 17.669 1.118) 17.736 98.868 ( -13.307 12.441 -2.067) 18.334 102.390 ( 0.066 0.494 -0.041) 0.500 102.427 ( 0.104 0.659 -0.046) 0.669 102.699 ( 3.318 1.862 0.453) 3.831 102.816 ( -0.631 3.440 -0.357) 3.515 107.563 ( 0.086 0.024 0.073) 0.116 107.613 ( 0.224 -0.025 -0.184) 0.291 107.859 ( 1.330 -1.616 0.572) 2.170 107.922 ( 1.812 -2.313 0.687) 3.018 ======================= Grid point 111 (43/126) ======================= q-point: (-0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( -16.988 16.313 -14.323) 27.566 2.598 ( 23.039 15.916 -37.524) 46.820 2.643 ( 2.633 18.638 -20.753) 28.018 2.973 ( 12.778 16.098 -16.810) 26.552 3.160 ( -22.907 16.611 5.639) 28.852 3.436 ( 6.638 3.519 -0.508) 7.530 4.284 ( 4.995 10.249 8.032) 13.946 4.586 ( -13.806 8.584 -5.186) 17.064 4.669 ( 15.523 12.588 2.596) 20.153 4.834 ( -4.081 8.165 13.730) 16.488 5.070 ( -22.814 12.067 17.951) 31.437 5.467 ( 16.663 4.643 23.719) 29.357 6.619 ( -6.048 -10.439 7.449) 14.179 6.906 ( 2.380 -4.024 -2.168) 5.153 7.000 ( -4.206 -1.295 -2.807) 5.219 7.109 ( 5.363 1.719 -0.329) 5.642 7.158 ( 4.677 -2.261 -3.841) 6.461 7.246 ( -0.793 -9.590 4.217) 10.506 7.409 ( 5.280 -6.684 1.153) 8.596 7.559 ( 0.675 -0.983 0.774) 1.422 7.598 ( -3.286 0.580 -1.341) 3.596 7.850 ( -1.231 10.068 0.950) 10.188 8.048 ( 0.562 1.002 -3.036) 3.246 8.139 ( -3.769 -1.309 -1.893) 4.416 8.536 ( 4.151 -2.285 -2.847) 5.528 8.641 ( -4.302 -5.399 1.551) 7.075 8.657 ( 1.034 -4.191 1.697) 4.638 8.696 ( 2.640 -8.215 0.145) 8.630 9.072 ( 0.681 -4.659 3.913) 6.122 9.468 ( -1.730 -0.023 2.004) 2.648 9.570 ( 1.616 -6.460 -4.909) 8.273 9.776 ( 4.430 -3.098 -2.518) 5.963 9.862 ( -9.498 -11.706 0.471) 15.082 10.125 ( -16.212 -16.122 -3.055) 23.066 10.148 ( 21.517 -16.890 0.215) 27.355 10.253 ( -0.796 -8.977 -1.289) 9.104 10.462 ( -5.986 -3.220 1.366) 6.933 10.541 ( 3.608 -2.209 0.791) 4.303 10.686 ( -3.699 -1.150 -1.639) 4.206 10.812 ( 1.325 3.574 0.558) 3.852 11.000 ( -0.196 8.813 2.084) 9.058 11.150 ( 1.037 5.556 -2.595) 6.219 11.250 ( -0.016 17.724 2.153) 17.854 11.373 ( -1.956 12.564 5.123) 13.708 11.464 ( 8.211 18.354 0.402) 20.111 11.691 ( 6.365 8.354 -5.283) 11.756 11.732 ( -2.638 7.083 -8.850) 11.638 11.813 ( -6.779 4.878 -7.602) 11.293 11.959 ( -1.956 -0.143 -2.427) 3.120 12.084 ( -5.878 -11.040 -1.406) 12.586 12.126 ( 7.525 -8.878 -0.957) 11.678 12.195 ( 4.722 -1.805 -0.520) 5.082 12.278 ( -5.001 -0.753 -0.096) 5.058 12.464 ( 5.589 -4.459 3.366) 7.903 12.557 ( 2.306 -5.016 -0.389) 5.534 12.681 ( -1.759 -2.468 9.325) 9.805 12.774 ( -4.847 -8.164 0.568) 9.512 12.962 ( 3.566 -6.601 0.070) 7.503 13.018 ( 0.642 -1.601 5.665) 5.922 13.508 ( 3.788 -2.651 -5.434) 7.135 13.653 ( -6.939 1.445 1.757) 7.303 13.719 ( 3.544 10.967 3.320) 11.993 13.927 ( -3.744 -1.424 -0.560) 4.045 14.111 ( 5.801 7.941 0.956) 9.881 14.329 ( -5.561 14.125 0.532) 15.190 14.527 ( 3.110 4.569 0.563) 5.555 14.673 ( -1.596 -2.613 5.388) 6.197 14.840 ( -0.554 -1.094 -1.394) 1.857 14.993 ( -0.148 -1.433 1.739) 2.258 15.118 ( -1.150 -2.047 7.680) 8.031 15.306 ( -0.660 0.336 1.089) 1.317 15.542 ( 1.087 6.250 0.683) 6.380 15.639 ( 3.482 -1.834 -1.719) 4.294 15.739 ( -1.250 -0.471 1.867) 2.295 15.821 ( 0.555 2.558 7.336) 7.789 15.949 ( -3.061 -1.724 -1.242) 3.726 16.204 ( 0.343 -2.497 0.653) 2.604 16.353 ( -0.429 -4.174 -3.479) 5.451 16.477 ( -5.047 2.444 -8.166) 9.906 16.645 ( 3.052 4.054 -4.721) 6.931 16.858 ( 1.186 -5.667 -10.063) 11.610 17.090 ( -4.517 -6.091 -9.746) 12.348 17.246 ( 2.792 -9.647 7.401) 12.476 17.628 ( -2.636 -1.733 -4.547) 5.534 17.815 ( 0.767 4.263 2.745) 5.128 18.000 ( -0.567 -4.183 5.355) 6.819 18.098 ( 0.890 5.974 -6.087) 8.575 18.337 ( -8.697 2.581 -3.871) 9.864 18.502 ( -0.832 4.363 2.943) 5.328 18.706 ( 0.498 1.132 0.608) 1.379 18.894 ( -2.848 4.755 -1.837) 5.840 19.007 ( -9.064 -7.789 -12.792) 17.506 19.483 ( 0.483 0.310 -0.321) 0.657 19.603 ( -0.797 -2.499 -3.871) 4.676 20.158 ( 18.395 -2.889 13.231) 22.842 20.502 ( 4.397 0.622 3.401) 5.593 20.629 ( 1.371 -5.152 4.417) 6.923 20.865 ( 12.927 -6.264 16.010) 21.509 21.149 ( -3.447 4.982 -1.377) 6.213 21.720 ( -9.310 -6.770 -3.224) 11.954 23.753 ( -3.245 4.372 2.009) 5.804 23.825 ( 5.420 -1.287 0.764) 5.623 23.991 ( 1.136 6.338 11.467) 13.151 24.502 ( -3.936 -1.814 7.409) 8.583 24.737 ( 4.696 -6.199 0.865) 7.825 24.836 ( -1.769 -7.353 -1.499) 7.710 25.243 ( 5.210 9.990 -3.904) 11.924 25.341 ( 2.242 11.536 0.772) 11.777 25.531 ( 3.767 -2.027 -6.245) 7.570 26.094 ( -4.089 -4.178 0.097) 5.846 26.344 ( -8.852 5.740 -18.853) 21.604 26.707 ( 2.132 -6.442 -11.562) 13.406 26.896 ( 3.948 10.328 1.194) 11.121 27.280 ( 2.656 10.300 -9.091) 13.992 27.616 ( -2.199 -2.806 4.807) 5.984 28.010 ( -0.648 3.193 20.364) 20.623 28.915 ( -2.330 -0.634 -9.808) 10.101 29.233 ( 3.303 1.606 5.084) 6.272 29.357 ( 0.618 0.287 2.307) 2.406 29.643 ( -4.612 2.538 -6.892) 8.673 29.732 ( -2.510 -3.444 -1.794) 4.624 29.842 ( 2.548 1.107 -0.316) 2.796 30.566 ( 0.341 -3.083 0.704) 3.180 30.661 ( -3.841 -2.358 -2.239) 5.032 31.461 ( -0.925 -0.154 2.765) 2.919 31.549 ( 5.670 3.680 1.497) 6.923 31.933 ( -1.427 -4.117 1.500) 4.608 32.051 ( -0.974 0.477 -1.145) 1.577 32.121 ( 0.739 -5.181 1.574) 5.465 32.360 ( -0.843 -1.097 -3.226) 3.510 32.568 ( 2.955 1.643 1.121) 3.562 32.693 ( -4.377 1.138 -1.245) 4.691 33.336 ( -0.384 0.549 -1.947) 2.059 33.415 ( 3.202 0.910 -4.541) 5.630 33.652 ( 0.356 -2.497 7.145) 7.578 33.786 ( -3.415 -0.466 5.324) 6.342 34.006 ( 1.837 2.174 3.472) 4.490 34.132 ( 2.666 3.611 -2.070) 4.943 34.558 ( -0.812 3.173 5.184) 6.132 34.709 ( 0.853 -1.735 1.276) 2.317 35.006 ( -0.143 10.590 1.581) 10.708 35.170 ( 2.523 2.150 -2.047) 3.896 35.991 ( -6.216 -0.213 3.654) 7.214 36.153 ( 5.040 0.132 -0.055) 5.042 90.911 ( 0.502 1.002 1.813) 2.131 90.994 ( -0.898 0.889 -1.208) 1.748 91.757 ( 1.697 -2.931 -8.240) 8.909 91.905 ( -2.888 -3.735 -7.166) 8.581 93.572 ( -0.048 1.760 0.769) 1.921 93.620 ( -0.157 2.358 -1.281) 2.688 94.257 ( -3.397 -0.741 -0.535) 3.518 94.415 ( 2.596 0.688 -0.396) 2.715 95.454 ( -15.473 -11.694 -29.508) 35.312 95.841 ( 22.755 -9.618 -38.090) 45.400 96.672 ( 27.250 -14.278 17.257) 35.273 97.011 ( -32.673 -15.103 9.604) 37.254 97.913 ( 0.165 -4.075 0.490) 4.107 98.028 ( -2.037 -4.290 1.189) 4.895 98.465 ( -1.887 17.389 4.003) 17.944 98.766 ( 4.050 11.420 -1.695) 12.235 102.394 ( 0.207 0.494 0.261) 0.596 102.424 ( -0.186 0.589 -0.406) 0.739 102.737 ( -0.471 2.740 1.106) 2.992 102.808 ( 1.001 1.854 -0.361) 2.138 107.569 ( 0.205 0.000 0.469) 0.512 107.610 ( -0.012 0.023 -0.467) 0.468 107.885 ( 0.389 -2.134 1.514) 2.645 107.937 ( -0.699 -2.479 0.406) 2.608 ======================= Grid point 112 (44/126) ======================= q-point: (-0.38 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( -22.700 9.818 -41.903) 48.658 2.179 ( -31.963 22.364 -8.900) 40.012 2.595 ( 37.670 15.206 -27.738) 49.190 2.769 ( -34.544 10.290 6.443) 36.615 3.207 ( 10.693 21.025 -4.094) 23.941 3.530 ( -15.635 18.196 2.780) 24.151 3.928 ( 0.571 25.876 -3.511) 26.119 4.043 ( -53.309 25.065 1.567) 58.929 5.101 ( 31.231 -6.088 8.906) 33.042 5.277 ( 4.059 2.125 25.273) 25.685 5.389 ( 34.898 3.560 1.507) 35.111 6.012 ( 29.069 1.413 7.883) 30.152 6.416 ( -24.896 -2.763 1.784) 25.112 6.967 ( 2.007 -7.179 -0.186) 7.457 7.002 ( 7.551 -3.300 -0.176) 8.243 7.120 ( 3.271 -3.068 -1.073) 4.611 7.221 ( -1.749 -5.042 -0.322) 5.346 7.279 ( 2.890 -5.166 3.178) 6.719 7.522 ( 4.812 -0.886 0.498) 4.918 7.580 ( 6.482 -4.604 -0.685) 7.980 7.673 ( 11.207 2.856 2.189) 11.770 7.854 ( 1.776 6.118 2.396) 6.806 7.984 ( -2.083 -3.821 -6.289) 7.647 8.131 ( 4.914 3.308 -0.855) 5.985 8.524 ( -2.087 -4.879 -3.622) 6.425 8.574 ( -2.400 -2.856 -1.163) 3.907 8.651 ( -2.783 -3.276 2.780) 5.120 8.805 ( 4.941 -6.095 1.538) 7.996 9.129 ( -3.139 -6.344 6.839) 9.842 9.379 ( -16.324 -8.472 -1.234) 18.433 9.510 ( -0.501 -2.636 -2.972) 4.004 9.555 ( -20.157 -16.512 1.629) 26.107 9.691 ( -21.298 -7.561 -0.548) 22.607 9.858 ( -4.356 -11.377 -4.698) 13.057 10.262 ( -0.146 1.432 -0.655) 1.582 10.301 ( -0.874 2.212 -2.407) 3.384 10.496 ( 3.543 -0.531 0.414) 3.607 10.665 ( 5.841 -7.048 0.175) 9.155 10.683 ( 8.742 -4.671 2.089) 10.130 10.834 ( 3.351 0.218 -1.097) 3.532 10.950 ( -9.296 9.199 1.734) 13.192 11.110 ( -4.905 11.637 0.186) 12.630 11.216 ( -5.258 9.017 0.541) 10.452 11.404 ( -3.274 15.147 4.129) 16.038 11.439 ( -2.507 3.665 -9.142) 10.163 11.672 ( 1.921 6.015 -1.869) 6.585 11.675 ( 2.257 3.973 -4.621) 6.499 11.785 ( 8.250 8.366 -0.031) 11.750 11.930 ( 0.905 -0.542 -0.258) 1.086 12.012 ( 0.538 0.212 -0.211) 0.616 12.149 ( -4.036 -4.886 2.543) 6.829 12.201 ( 4.689 -13.304 -3.971) 14.654 12.380 ( 12.610 -3.572 -2.158) 13.283 12.601 ( 8.516 -3.649 0.477) 9.277 12.623 ( 7.988 -6.054 0.174) 10.025 12.730 ( 3.085 -1.768 -4.054) 5.392 12.779 ( -0.193 -2.695 4.465) 5.219 13.003 ( 4.005 -7.081 -1.850) 8.343 13.093 ( -0.963 -1.330 5.991) 6.212 13.437 ( -2.050 0.749 -5.708) 6.110 13.574 ( -11.443 -7.657 5.842) 14.956 13.748 ( -1.992 7.207 0.919) 7.533 13.950 ( 3.278 15.493 1.294) 15.889 14.232 ( -11.012 14.028 5.269) 18.596 14.264 ( 14.232 2.973 -1.511) 14.617 14.575 ( 5.873 4.676 -3.230) 8.173 14.718 ( -1.836 -3.331 5.702) 6.854 14.838 ( 1.553 -1.995 0.239) 2.540 15.030 ( 0.446 -2.419 3.174) 4.016 15.212 ( 1.359 -0.145 5.366) 5.537 15.332 ( 1.316 -3.783 2.432) 4.686 15.595 ( 3.695 5.705 2.013) 7.089 15.659 ( 2.395 -0.346 -3.678) 4.403 15.731 ( -3.341 -1.516 2.469) 4.423 15.812 ( -2.661 -2.229 0.337) 3.488 16.030 ( 1.224 3.411 8.738) 9.460 16.195 ( -1.301 -2.144 1.693) 3.026 16.294 ( -1.566 -3.232 -6.971) 7.842 16.339 ( -3.662 0.010 1.060) 3.813 16.611 ( 1.632 6.821 -5.721) 9.051 16.723 ( -2.696 -3.736 -9.888) 10.908 16.837 ( -7.105 0.373 -10.740) 12.882 17.318 ( -7.786 -7.669 7.744) 13.394 17.483 ( -7.289 -1.440 -5.740) 9.389 17.833 ( -0.687 1.564 -3.350) 3.761 17.945 ( -1.874 1.476 -6.392) 6.823 18.061 ( -5.012 -0.781 0.888) 5.150 18.228 ( 2.541 1.256 3.120) 4.216 18.528 ( -1.497 2.194 3.757) 4.601 18.723 ( 1.069 4.073 0.001) 4.211 18.788 ( -5.770 -1.103 0.282) 5.881 18.882 ( -2.227 3.163 -2.129) 4.415 19.494 ( 1.597 -0.040 -0.278) 1.622 19.548 ( 0.066 -1.714 -3.648) 4.032 20.441 ( 5.476 -9.671 3.658) 11.700 20.549 ( 1.671 -9.365 -4.010) 10.324 20.804 ( 7.906 3.368 13.462) 15.971 21.021 ( -7.498 2.467 -5.169) 9.435 21.366 ( 4.589 -6.552 6.755) 10.470 21.533 ( 9.061 -6.802 1.264) 11.400 23.714 ( -3.955 3.768 0.643) 5.501 23.956 ( 9.342 -1.149 2.644) 9.777 24.192 ( 0.793 5.907 14.861) 16.011 24.526 ( -5.876 -2.637 6.607) 9.227 24.841 ( 3.332 -3.288 1.529) 4.924 24.859 ( 7.239 -7.135 3.609) 10.786 25.271 ( 4.645 6.471 -5.078) 9.446 25.357 ( 1.919 8.970 -6.760) 11.395 25.553 ( 8.186 1.018 -0.236) 8.252 25.753 ( -6.014 -0.354 -27.966) 28.607 26.225 ( -5.974 3.555 3.758) 7.903 26.481 ( -7.417 -1.693 -9.985) 12.553 27.085 ( 13.945 3.407 0.862) 14.381 27.210 ( 7.464 10.437 -11.013) 16.909 27.730 ( 1.201 2.769 14.858) 15.161 28.138 ( -6.242 0.281 1.644) 6.461 28.843 ( 1.243 -1.132 5.798) 6.036 29.246 ( -7.252 -3.088 -11.911) 14.283 29.355 ( 2.256 1.189 6.548) 7.027 29.526 ( -1.400 1.186 -5.735) 6.021 29.702 ( -0.893 1.435 3.083) 3.516 29.857 ( 2.053 4.230 -2.390) 5.274 30.500 ( -9.261 -3.598 0.501) 9.948 30.615 ( -1.203 -1.244 1.387) 2.218 31.399 ( -8.062 0.901 0.727) 8.145 31.663 ( 4.673 1.541 -0.282) 4.929 31.958 ( 1.703 -4.659 2.420) 5.519 32.051 ( 2.249 0.343 -1.196) 2.570 32.126 ( -2.924 -4.699 2.586) 6.109 32.268 ( -3.886 1.422 -3.511) 5.427 32.611 ( -0.167 1.693 -2.099) 2.702 32.722 ( 10.434 -0.596 2.349) 10.712 33.317 ( 1.297 -3.202 -1.523) 3.776 33.455 ( 7.474 3.152 -2.397) 8.458 33.684 ( -3.875 0.934 3.177) 5.097 33.813 ( -3.262 -2.339 6.017) 7.233 34.055 ( 1.057 3.966 -0.740) 4.171 34.163 ( 2.120 -1.933 2.513) 3.813 34.607 ( -2.574 3.548 6.099) 7.511 34.727 ( -1.370 -3.169 1.784) 3.886 34.997 ( -3.654 10.344 1.696) 11.100 35.157 ( -1.423 2.758 -1.162) 3.314 35.935 ( -5.862 -0.318 1.751) 6.126 36.253 ( 6.908 0.172 1.032) 6.987 90.945 ( 0.164 0.453 1.230) 1.321 90.970 ( 0.267 1.495 -0.082) 1.521 91.668 ( 2.547 -2.955 -10.988) 11.660 91.756 ( -1.814 -2.585 -9.346) 9.865 93.582 ( -0.102 2.074 0.893) 2.260 93.605 ( -0.010 2.208 -0.457) 2.254 94.215 ( -1.285 -0.482 -0.487) 1.456 94.478 ( 6.623 0.116 -0.522) 6.645 95.018 ( -7.246 -3.293 -12.948) 15.199 95.613 ( 20.319 -12.129 -49.187) 54.583 96.529 ( -36.611 -13.061 5.206) 39.218 97.326 ( 27.037 -12.556 9.349) 31.242 97.937 ( 0.669 -5.401 2.752) 6.099 98.009 ( -0.505 -4.137 -1.355) 4.382 98.451 ( -4.378 17.244 2.914) 18.028 98.932 ( 18.696 8.730 -0.762) 20.648 102.402 ( 0.223 0.503 0.431) 0.699 102.413 ( -0.404 0.600 -0.571) 0.922 102.712 ( -3.679 1.857 0.679) 4.177 102.841 ( 3.027 2.822 0.143) 4.141 107.579 ( 0.196 -0.025 0.609) 0.640 107.601 ( -0.205 0.064 -0.655) 0.689 107.905 ( -1.438 -3.352 1.760) 4.050 107.920 ( -1.409 -2.212 0.607) 2.692 ======================= Grid point 113 (45/126) ======================= q-point: (-0.25 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -19.404 20.050 -36.312) 45.794 1.562 ( -38.822 20.558 -5.134) 44.228 2.345 ( -29.805 9.435 3.759) 31.488 2.706 ( -50.054 42.884 2.939) 65.978 3.011 ( 41.301 14.228 -8.009) 44.411 3.216 ( -46.463 33.996 -5.120) 57.799 3.691 ( 12.526 29.186 2.193) 31.836 4.112 ( 17.266 23.632 -2.755) 29.397 5.480 ( -8.006 -2.579 17.530) 19.443 5.640 ( 18.349 -2.050 8.056) 20.144 5.919 ( 35.944 -11.682 -1.768) 37.836 6.077 ( -15.000 0.371 -2.349) 15.187 6.476 ( 29.643 -5.387 -3.916) 30.382 6.956 ( -9.001 -9.875 -2.308) 13.559 7.041 ( 4.518 -4.637 -0.928) 6.541 7.119 ( 3.045 -5.778 1.117) 6.627 7.296 ( 8.471 -1.174 0.779) 8.587 7.379 ( 4.325 -0.916 2.377) 5.020 7.562 ( 5.308 -5.133 -4.050) 8.421 7.723 ( 12.849 -0.600 -0.664) 12.880 7.860 ( -2.280 -3.358 -3.500) 5.359 7.899 ( 9.529 5.190 3.049) 11.271 7.985 ( 6.203 0.871 6.894) 9.315 8.202 ( 5.637 0.407 -1.044) 5.747 8.428 ( -0.030 -7.653 -6.570) 10.086 8.524 ( -6.571 -2.509 1.650) 7.224 8.634 ( -2.798 1.654 0.859) 3.362 8.834 ( -0.847 -6.309 -1.946) 6.657 8.944 ( -27.688 -23.534 0.756) 36.346 9.212 ( -23.647 -17.484 3.125) 29.574 9.228 ( -9.158 -7.669 2.465) 12.196 9.431 ( -5.722 -6.164 -3.388) 9.068 9.540 ( -2.018 2.490 3.325) 4.619 9.775 ( -0.966 -5.819 -3.476) 6.846 10.159 ( -12.509 15.491 2.276) 20.041 10.268 ( 1.066 8.577 -4.037) 9.540 10.460 ( -6.776 0.047 1.087) 6.863 10.709 ( -3.936 3.863 -0.416) 5.531 10.766 ( -2.508 3.830 1.474) 4.809 10.828 ( -5.774 5.963 1.986) 8.535 10.914 ( 5.613 -0.313 0.580) 5.651 11.057 ( -3.117 9.920 2.236) 10.636 11.144 ( 0.656 8.542 -6.374) 10.678 11.324 ( -0.889 1.464 -0.071) 1.714 11.452 ( 7.718 -5.474 -1.698) 9.613 11.633 ( -3.911 -0.597 1.375) 4.189 11.700 ( -0.881 2.100 -0.216) 2.287 11.888 ( 7.137 3.795 1.309) 8.189 11.975 ( 3.782 0.986 -0.230) 3.915 12.088 ( 7.322 2.798 -0.451) 7.851 12.160 ( 0.929 -13.831 -8.469) 16.244 12.193 ( 3.470 -2.881 4.287) 6.223 12.460 ( 6.397 -5.113 -10.678) 13.457 12.698 ( 2.974 -15.398 -0.487) 15.691 12.732 ( 8.217 9.454 -0.982) 12.565 12.767 ( 7.279 -0.043 -8.689) 11.335 12.838 ( 9.265 1.525 5.770) 11.021 13.047 ( 3.478 -10.961 0.129) 11.500 13.148 ( -0.388 -2.302 3.950) 4.588 13.326 ( -2.447 0.736 -7.223) 7.662 13.504 ( -9.499 -3.638 8.887) 13.507 13.696 ( -5.120 7.283 -1.906) 9.104 13.927 ( -6.442 15.682 -1.648) 17.033 14.202 ( -6.196 17.427 9.262) 20.685 14.447 ( 15.538 -1.269 -4.405) 16.200 14.631 ( 6.167 2.982 -1.691) 7.056 14.773 ( 0.533 -2.100 4.696) 5.171 14.885 ( 3.727 -1.218 0.597) 3.966 15.080 ( 0.120 -3.806 4.231) 5.692 15.266 ( -0.826 -1.802 3.336) 3.881 15.389 ( 3.450 -2.988 -1.010) 4.675 15.618 ( -1.094 4.943 -2.885) 5.827 15.646 ( 4.880 -0.818 -3.746) 6.206 15.764 ( -1.295 -0.221 9.145) 9.239 15.843 ( -0.396 -4.090 4.728) 6.264 16.062 ( -4.509 -1.739 3.392) 5.905 16.171 ( -0.548 -2.109 -7.461) 7.773 16.253 ( -0.125 -1.856 1.919) 2.673 16.315 ( -2.345 -3.802 1.576) 4.737 16.558 ( 1.326 6.898 -5.870) 9.154 16.580 ( -3.140 3.971 -2.208) 5.523 16.747 ( -1.248 2.387 2.566) 3.720 17.182 ( -14.616 -2.300 -3.072) 15.112 17.376 ( -8.477 -1.821 17.603) 19.622 17.760 ( 0.959 -1.514 -5.217) 5.516 17.880 ( 0.032 -1.086 -3.454) 3.621 18.035 ( -4.662 -0.580 4.839) 6.744 18.323 ( 2.249 1.260 2.764) 3.780 18.555 ( -1.094 -0.561 3.330) 3.550 18.720 ( -4.775 0.958 0.359) 4.883 18.747 ( 3.435 6.286 -0.947) 7.225 18.872 ( 1.181 6.998 5.310) 8.864 19.510 ( 1.290 -0.700 -1.517) 2.111 19.535 ( 1.669 0.228 0.609) 1.791 20.384 ( -4.430 -15.143 -13.303) 20.637 20.556 ( 0.774 -9.010 -5.606) 10.639 20.821 ( -5.844 -0.540 -8.452) 10.290 20.981 ( -6.820 -3.157 -3.578) 8.324 21.138 ( 0.110 -0.063 -2.287) 2.291 22.000 ( 19.602 -1.696 10.029) 22.084 23.668 ( -2.933 2.647 0.331) 3.965 24.129 ( 10.836 -2.532 -0.065) 11.128 24.327 ( -2.430 1.339 7.775) 8.255 24.516 ( -5.584 2.477 5.058) 7.931 24.918 ( 6.456 0.947 -1.069) 6.612 25.005 ( -0.067 -7.618 -5.429) 9.355 25.135 ( 1.156 -1.360 -14.848) 14.955 25.255 ( 0.046 5.792 -4.844) 7.550 25.475 ( 7.088 2.920 -10.189) 12.751 25.747 ( 7.969 1.827 4.056) 9.127 26.139 ( -5.935 3.362 2.143) 7.149 26.314 ( -6.906 5.013 -1.108) 8.605 27.246 ( 12.789 11.879 -5.824) 18.401 27.293 ( 15.388 2.962 -1.268) 15.722 27.928 ( -6.839 0.124 -7.207) 9.936 28.007 ( 1.867 4.043 16.553) 17.141 28.924 ( -8.139 -1.584 -12.662) 15.136 29.071 ( 2.100 -2.486 15.165) 15.510 29.391 ( -4.381 -1.673 -8.301) 9.534 29.482 ( 3.965 0.658 6.111) 7.314 29.750 ( -0.294 3.319 3.153) 4.588 29.851 ( 2.770 7.093 -3.857) 8.536 30.411 ( -7.762 -4.847 5.212) 10.531 30.568 ( -8.248 -0.073 1.488) 8.381 31.346 ( 0.738 2.087 2.029) 3.003 31.667 ( 0.474 0.141 -3.051) 3.091 31.920 ( -9.372 -5.124 -2.672) 11.010 32.074 ( 3.012 -1.609 -0.024) 3.415 32.142 ( 1.373 -0.726 2.809) 3.210 32.241 ( 2.296 3.177 0.188) 3.924 32.609 ( 2.800 0.094 -0.904) 2.944 32.914 ( 10.689 -2.909 2.204) 11.295 33.319 ( 0.099 -7.879 -1.155) 7.964 33.545 ( 3.865 4.518 1.324) 6.091 33.670 ( 1.496 4.422 -0.179) 4.672 33.830 ( -3.745 -2.535 4.490) 6.372 34.020 ( -0.867 5.288 -3.986) 6.678 34.229 ( 2.303 -7.684 -0.026) 8.022 34.634 ( -2.055 4.607 3.441) 6.106 34.709 ( -3.109 -3.065 0.622) 4.410 34.944 ( -4.958 7.683 -0.657) 9.168 35.101 ( -4.774 4.255 -0.817) 6.447 35.874 ( -4.711 -0.838 0.864) 4.862 36.355 ( 5.942 0.128 -0.350) 5.954 90.940 ( -0.354 0.876 -0.135) 0.955 91.002 ( 1.496 1.109 0.854) 2.049 91.564 ( -0.132 -1.879 -5.536) 5.847 91.648 ( -0.131 -1.724 -4.871) 5.169 93.585 ( -0.295 2.215 0.043) 2.235 93.611 ( 0.563 2.075 0.371) 2.182 94.209 ( -0.753 -0.477 1.869) 2.070 94.572 ( 10.234 -1.880 -5.222) 11.642 94.876 ( -2.562 0.598 0.357) 2.655 95.212 ( 5.468 -6.485 -37.187) 38.142 96.056 ( -32.090 -8.260 -0.208) 33.137 97.693 ( 12.147 -6.444 3.206) 14.119 97.978 ( -0.125 -6.327 -2.421) 6.775 98.023 ( 3.217 -7.703 6.395) 10.516 98.454 ( 3.301 19.471 0.575) 19.757 99.223 ( 21.417 2.149 -1.286) 21.563 102.399 ( -0.403 0.649 -0.475) 0.900 102.411 ( 0.171 0.627 0.436) 0.783 102.661 ( -3.819 1.267 0.049) 4.024 102.888 ( 3.436 4.246 -0.346) 5.474 107.588 ( 0.063 -0.016 0.475) 0.479 107.589 ( -0.219 0.100 -0.664) 0.706 107.876 ( -2.514 -2.242 -0.059) 3.370 107.921 ( -2.727 -5.617 1.945) 6.540 ======================= Grid point 114 (46/126) ======================= q-point: (-0.12 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 0.454 21.277 47.332) 51.896 1.034 ( -21.711 35.546 -2.114) 41.706 1.988 ( -40.854 51.088 5.874) 65.678 2.062 ( -24.103 26.384 0.095) 35.736 2.528 ( -32.435 44.130 -8.231) 55.383 3.570 ( 35.033 12.072 2.561) 37.143 3.884 ( 7.705 30.567 2.967) 31.662 4.292 ( 14.632 22.165 -4.578) 26.951 5.327 ( -34.478 1.268 13.961) 37.219 5.862 ( 3.756 -2.840 -8.004) 9.286 5.986 ( 13.771 2.609 -1.990) 14.156 6.427 ( 23.500 -14.905 -2.344) 27.927 6.534 ( 1.826 -3.293 -9.891) 10.584 7.017 ( 22.109 -13.770 -1.515) 26.091 7.132 ( 0.271 -12.936 3.705) 13.459 7.196 ( 7.983 -3.122 0.310) 8.577 7.313 ( -3.531 -2.146 0.419) 4.153 7.451 ( -0.608 -10.996 -3.812) 11.654 7.608 ( 9.616 4.217 -2.934) 10.903 7.711 ( -6.147 -6.571 -4.642) 10.125 7.923 ( 10.616 9.620 -2.056) 14.473 8.045 ( 2.941 -3.628 2.437) 5.268 8.114 ( -2.210 -1.546 7.125) 7.618 8.260 ( 2.189 -4.851 0.272) 5.329 8.347 ( -8.830 -13.447 -1.687) 16.175 8.441 ( 2.849 -6.079 -3.940) 7.784 8.583 ( -12.153 -10.555 2.388) 16.273 8.656 ( -3.179 -1.980 0.617) 3.796 8.748 ( -9.353 -12.297 1.741) 15.548 8.915 ( -7.993 -8.616 -3.460) 12.251 9.159 ( -6.053 -4.155 -1.630) 7.521 9.306 ( -9.376 -2.636 0.376) 9.747 9.586 ( 3.064 1.040 0.863) 3.349 9.724 ( -5.148 1.386 0.824) 5.395 10.015 ( -10.090 15.279 3.671) 18.674 10.261 ( 3.606 12.618 -1.849) 13.253 10.377 ( -6.075 1.189 2.707) 6.757 10.566 ( -11.648 12.190 1.374) 16.916 10.739 ( -1.976 -0.427 1.477) 2.503 10.850 ( 2.267 6.648 1.697) 7.226 10.932 ( -2.812 2.607 0.192) 3.840 11.031 ( -4.091 12.934 2.192) 13.741 11.152 ( 5.134 7.682 -3.791) 9.987 11.360 ( 2.989 -5.053 2.328) 6.316 11.555 ( 8.758 -2.729 -6.803) 11.420 11.609 ( -2.081 -2.990 2.545) 4.444 11.694 ( 1.695 1.559 0.341) 2.328 11.825 ( 1.589 4.921 -15.189) 16.045 12.015 ( 1.040 0.731 -0.121) 1.277 12.116 ( 3.632 -13.297 -1.098) 13.828 12.262 ( 4.122 -3.910 -1.010) 5.771 12.268 ( 9.074 -9.642 8.544) 15.757 12.403 ( 0.315 0.722 -1.227) 1.458 12.715 ( -0.357 1.960 0.099) 1.994 12.750 ( 1.349 -4.470 -1.125) 4.802 12.860 ( 9.798 1.050 -2.119) 10.079 13.030 ( 2.453 -12.239 -1.845) 12.618 13.122 ( 10.068 -2.427 3.466) 10.921 13.172 ( 1.906 2.811 -3.665) 4.997 13.203 ( -1.663 -1.702 -3.779) 4.466 13.517 ( -5.288 1.829 2.380) 6.081 13.560 ( -7.719 4.319 3.304) 9.442 13.808 ( -4.301 15.775 -2.598) 16.555 14.199 ( -9.233 16.726 5.850) 19.980 14.607 ( 13.533 -3.047 -4.028) 14.445 14.696 ( 4.400 -1.234 -1.080) 4.696 14.843 ( 2.454 0.161 2.319) 3.380 14.936 ( 3.579 0.580 -1.626) 3.974 15.149 ( -0.483 -4.272 6.134) 7.490 15.289 ( -1.822 -3.446 3.942) 5.544 15.408 ( 2.652 -2.067 -2.003) 3.914 15.531 ( -5.388 3.935 -3.510) 7.539 15.677 ( 3.703 -1.297 -6.086) 7.241 15.787 ( -6.526 -1.013 3.367) 7.413 15.902 ( 5.180 -1.928 -1.196) 5.656 16.019 ( 1.964 -1.047 0.856) 2.384 16.197 ( -1.743 -3.115 0.425) 3.595 16.238 ( -0.599 -1.406 5.609) 5.814 16.321 ( -4.115 -1.555 3.895) 5.875 16.511 ( 1.652 -2.303 -5.862) 6.511 16.549 ( -3.181 -0.347 4.764) 5.739 16.728 ( 0.561 3.878 2.481) 4.637 16.924 ( -11.069 2.043 -5.051) 12.338 17.510 ( -13.254 -8.283 -5.753) 16.654 17.778 ( 4.066 -5.350 3.772) 7.706 17.893 ( -0.823 -0.224 6.940) 6.992 18.053 ( -4.951 -6.546 12.041) 14.572 18.336 ( -2.029 3.137 -0.333) 3.750 18.571 ( -1.750 -2.025 1.872) 3.267 18.654 ( -2.924 -1.248 -1.551) 3.537 18.763 ( 2.626 5.841 -4.273) 7.699 19.358 ( 28.640 2.041 30.501) 41.889 19.535 ( 5.955 0.498 7.346) 9.470 19.572 ( 0.932 1.273 0.720) 1.734 19.712 ( -28.039 -1.836 -34.082) 44.171 20.454 ( -1.269 -0.308 -1.355) 1.882 20.756 ( 1.399 0.457 -1.763) 2.297 20.804 ( -2.780 -7.370 -3.776) 8.735 21.197 ( 0.368 5.528 0.044) 5.541 22.254 ( 9.902 -1.308 -4.515) 10.961 23.638 ( -1.983 4.531 0.671) 4.991 24.239 ( 7.640 0.432 -6.629) 10.124 24.305 ( -1.506 2.664 -10.677) 11.107 24.484 ( 6.829 4.772 -2.124) 8.597 24.685 ( -9.877 -1.144 -3.286) 10.471 25.014 ( 3.953 1.113 1.183) 4.273 25.125 ( 4.330 -0.482 -3.202) 5.407 25.290 ( -0.306 1.613 0.331) 1.675 25.560 ( 10.204 2.656 0.896) 10.582 25.810 ( -3.209 -5.805 7.243) 9.821 26.177 ( -3.320 9.030 0.115) 9.621 26.295 ( 2.059 -0.245 13.626) 13.783 27.419 ( 10.664 -1.084 0.904) 10.757 27.536 ( 23.994 15.710 -1.477) 28.717 27.751 ( -1.881 1.401 -5.864) 6.316 28.160 ( -5.021 4.481 0.000) 6.730 28.739 ( 0.096 0.872 1.810) 2.011 29.184 ( -8.213 -4.331 -7.938) 12.216 29.276 ( 0.174 -1.766 9.914) 10.072 29.628 ( 4.387 -1.010 5.587) 7.175 29.753 ( -2.068 3.679 0.038) 4.221 29.842 ( 3.877 8.022 -4.175) 9.840 30.330 ( -8.486 -0.882 -0.880) 8.577 30.461 ( -9.256 -5.025 -3.317) 11.042 31.474 ( 9.073 -0.027 5.132) 10.424 31.632 ( 0.640 -0.040 -3.224) 3.288 31.719 ( -11.161 -1.659 -3.159) 11.717 32.095 ( -1.079 -3.175 0.858) 3.461 32.218 ( 4.277 0.209 0.019) 4.282 32.293 ( 4.766 2.785 0.141) 5.521 32.676 ( 5.907 -0.885 2.020) 6.305 33.069 ( 8.128 -3.038 0.503) 8.691 33.263 ( -5.022 -8.144 -2.727) 9.949 33.468 ( -15.570 1.218 -5.411) 16.528 33.767 ( 10.256 5.725 -1.783) 11.880 33.808 ( -4.497 -1.065 2.262) 5.146 33.952 ( 0.651 6.316 -5.206) 8.211 34.143 ( -2.971 -1.916 -12.186) 12.689 34.604 ( -2.383 6.408 -2.702) 7.352 34.688 ( -1.500 0.635 0.429) 1.684 34.837 ( -2.379 4.785 -4.703) 7.119 34.992 ( -5.709 6.485 -3.595) 9.358 35.835 ( -3.438 -0.228 3.778) 5.113 36.405 ( 3.519 -0.071 -2.611) 4.382 90.934 ( 0.068 0.964 -0.743) 1.219 91.023 ( 0.732 0.914 -0.020) 1.172 91.635 ( 1.041 -1.622 1.806) 2.642 91.708 ( 3.352 -10.467 27.579) 29.688 93.580 ( -0.117 2.053 -0.221) 2.069 93.618 ( 0.402 2.243 -0.745) 2.398 94.235 ( -1.206 -0.657 4.363) 4.574 94.689 ( 13.329 -3.129 1.480) 13.771 94.849 ( -1.808 0.650 -0.590) 2.010 95.321 ( 13.820 -14.350 50.176) 53.986 95.654 ( -18.518 -4.500 4.528) 19.587 97.805 ( 2.407 -2.418 0.894) 3.526 97.942 ( 0.239 -6.240 -3.153) 6.995 98.132 ( -2.208 -8.067 6.317) 10.481 98.647 ( 21.990 16.494 4.444) 27.845 99.462 ( 12.100 -6.562 -1.181) 13.816 102.391 ( -0.092 0.688 -0.177) 0.716 102.418 ( 0.080 0.863 0.278) 0.910 102.611 ( -2.227 2.928 -0.251) 3.687 102.914 ( 3.182 5.464 -4.402) 7.704 107.581 ( 0.062 0.070 -0.462) 0.471 107.592 ( -0.139 0.009 0.260) 0.295 107.826 ( -6.213 -4.705 -0.236) 7.797 107.868 ( -3.604 -2.896 -0.793) 4.691 ======================= Grid point 115 (47/126) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 0.734 21.321 44.102) 48.991 2.035 ( 13.115 45.653 9.792) 48.498 2.443 ( -6.487 36.545 -5.009) 37.452 2.938 ( -9.116 64.983 3.437) 65.709 3.337 ( 7.338 56.960 -4.833) 57.634 4.265 ( 15.062 14.534 0.843) 20.948 4.751 ( -1.116 44.000 2.440) 44.081 4.889 ( -2.757 17.694 0.220) 17.909 5.145 ( -19.390 18.097 6.313) 27.264 5.687 ( 2.966 0.601 -14.392) 14.707 6.054 ( -16.154 1.661 -10.574) 19.378 6.310 ( 17.598 -6.460 -3.286) 19.032 6.443 ( 6.857 -15.365 -0.774) 16.843 6.776 ( -5.885 -17.326 3.663) 18.661 7.018 ( 6.193 -16.297 -5.609) 18.314 7.083 ( -13.767 -12.962 -2.104) 19.026 7.110 ( 10.058 -13.440 0.365) 16.791 7.252 ( 3.814 -4.693 1.305) 6.187 7.353 ( 3.205 -25.216 0.467) 25.423 7.552 ( -7.029 -21.381 -1.433) 22.553 7.634 ( -5.254 -11.610 -2.070) 12.911 7.680 ( 1.902 -10.237 -3.224) 10.900 7.928 ( 6.733 -8.017 -4.593) 11.432 8.107 ( -2.838 -4.663 -2.249) 5.904 8.307 ( -3.039 1.090 2.784) 4.263 8.397 ( 1.191 -0.222 6.048) 6.169 8.448 ( 0.559 1.662 2.592) 3.129 8.538 ( -0.852 -0.740 0.365) 1.186 8.834 ( 1.810 5.766 -3.974) 7.233 8.946 ( -5.526 2.288 -2.776) 6.594 9.119 ( 8.858 3.304 0.348) 9.461 9.164 ( -3.435 -0.981 2.030) 4.109 9.633 ( -0.551 -0.328 2.210) 2.301 9.700 ( 0.505 -2.954 2.434) 3.861 10.266 ( -0.861 15.009 1.781) 15.139 10.377 ( 0.616 0.276 3.904) 3.962 10.502 ( 6.071 -4.508 -1.760) 7.764 10.646 ( -2.601 -4.255 -1.653) 5.254 10.755 ( -7.577 9.898 3.162) 12.860 10.823 ( 2.587 0.264 3.744) 4.559 11.148 ( -0.997 9.384 0.109) 9.438 11.217 ( 2.880 -3.018 -4.311) 5.999 11.325 ( -2.179 13.282 -0.036) 13.460 11.446 ( -2.509 0.709 3.678) 4.508 11.515 ( 2.086 7.706 -2.384) 8.332 11.554 ( -0.094 -7.369 3.531) 8.171 11.634 ( -4.751 -4.813 -1.112) 6.853 11.731 ( 3.521 -10.438 0.550) 11.030 11.793 ( 2.697 -12.978 2.534) 13.495 11.985 ( 0.889 -3.752 0.039) 3.856 12.123 ( 1.858 -12.999 1.560) 13.224 12.147 ( 3.059 -5.297 -1.106) 6.216 12.282 ( 3.629 -7.372 2.590) 8.616 12.489 ( -1.455 -16.457 -3.123) 16.814 12.862 ( -1.789 4.612 -4.283) 6.543 12.881 ( -3.250 6.296 -2.831) 7.630 13.071 ( -0.342 9.800 -1.620) 9.939 13.170 ( -0.579 4.950 -7.003) 8.595 13.332 ( 2.929 3.424 8.226) 9.379 13.409 ( 10.982 11.950 -1.702) 16.319 13.479 ( -7.393 11.005 -2.153) 13.431 13.660 ( -0.806 2.846 0.353) 2.979 14.028 ( 0.371 11.462 -2.609) 11.761 14.328 ( -8.003 9.051 -0.953) 12.119 14.600 ( 3.551 -2.194 -4.310) 6.000 14.755 ( 2.042 1.313 -4.107) 4.771 14.865 ( -1.010 -1.018 -1.836) 2.330 14.979 ( 4.213 -0.173 -2.414) 4.858 15.045 ( -9.482 -3.295 5.776) 11.582 15.283 ( 3.938 -4.319 3.226) 6.676 15.310 ( -8.469 -1.418 3.827) 9.401 15.524 ( 5.305 1.142 -4.039) 6.765 15.718 ( -1.183 1.030 4.738) 4.991 15.790 ( 1.019 2.867 -8.210) 8.756 15.890 ( -1.775 0.338 -0.496) 1.874 16.065 ( 8.080 1.923 -5.374) 9.893 16.138 ( -0.495 -4.784 2.880) 5.606 16.254 ( -1.535 1.395 -2.747) 3.442 16.268 ( -6.103 0.580 4.156) 7.406 16.387 ( 8.900 -7.426 3.469) 12.099 16.638 ( 1.275 0.750 8.730) 8.855 16.807 ( -2.989 -0.273 -2.213) 3.729 16.949 ( 7.975 -0.994 6.448) 10.304 17.112 ( -13.255 -2.167 -1.808) 13.552 17.692 ( 0.656 -7.129 -1.122) 7.247 17.867 ( -0.478 -6.076 1.038) 6.183 17.982 ( -2.619 -5.352 12.682) 14.012 18.349 ( -0.402 1.147 -5.031) 5.176 18.545 ( -1.709 2.254 -1.042) 3.014 18.615 ( -0.046 3.678 -1.513) 3.978 18.909 ( 2.331 9.116 -2.421) 9.716 19.150 ( -13.077 9.080 -13.544) 20.902 19.543 ( 1.240 -0.978 1.078) 1.912 19.577 ( -0.923 -0.908 0.343) 1.340 20.037 ( 14.236 -18.086 19.109) 29.915 20.356 ( -0.466 -12.868 0.547) 12.888 20.682 ( 8.614 -2.119 5.356) 10.362 20.902 ( 3.282 8.043 -1.128) 8.760 21.248 ( -3.715 5.010 -4.760) 7.847 21.928 ( -6.841 -16.824 -14.939) 23.517 23.762 ( -0.252 5.828 0.621) 5.867 24.123 ( -0.856 -6.082 -9.840) 11.599 24.204 ( 1.623 0.712 -5.816) 6.080 24.426 ( -0.393 1.892 -6.857) 7.124 24.923 ( -0.191 2.903 7.447) 7.995 25.037 ( 0.473 -0.327 -2.783) 2.842 25.167 ( 8.043 2.018 4.105) 9.252 25.312 ( 1.805 2.589 5.167) 6.054 25.625 ( 1.323 -1.937 -3.557) 4.260 25.897 ( -0.655 -0.671 16.555) 16.582 26.271 ( -4.491 8.144 2.257) 9.570 26.521 ( -0.483 4.257 9.712) 10.615 27.259 ( -1.662 -6.968 -10.834) 12.988 27.719 ( 6.830 -4.151 5.087) 9.474 28.026 ( 2.916 8.740 -4.615) 10.305 28.101 ( -6.191 7.854 -6.160) 11.745 28.925 ( -3.557 0.954 3.410) 5.019 28.996 ( 2.830 2.038 4.895) 6.011 29.397 ( 3.614 0.840 5.843) 6.921 29.582 ( -3.846 -2.607 2.512) 5.282 29.802 ( -3.698 3.953 -4.938) 7.327 29.949 ( 3.636 0.388 -3.087) 4.785 30.189 ( -4.426 0.681 -5.757) 7.293 30.277 ( 1.778 -0.207 -3.125) 3.601 31.503 ( -4.907 -0.988 0.352) 5.017 31.596 ( 1.565 -1.189 -0.655) 2.072 31.712 ( 4.617 -0.012 4.009) 6.115 31.958 ( -1.388 -5.843 -3.921) 7.172 32.236 ( 1.096 -2.908 3.302) 4.534 32.292 ( -0.094 -2.486 0.579) 2.554 32.843 ( -1.486 10.301 2.736) 10.762 33.009 ( -0.906 -6.655 0.198) 6.720 33.088 ( 0.088 -8.520 -1.154) 8.598 33.351 ( 0.468 10.942 -12.100) 16.320 33.794 ( -3.073 2.844 2.261) 4.759 33.977 ( 2.196 2.222 -1.503) 3.467 34.018 ( 4.266 3.879 -1.060) 5.863 34.110 ( -0.480 4.400 -1.975) 4.847 34.608 ( -1.527 -3.530 2.045) 4.356 34.776 ( -2.213 -1.873 -2.573) 3.877 34.870 ( 3.794 15.409 -0.673) 15.883 35.125 ( 0.639 14.194 -5.665) 15.296 35.862 ( -1.652 -0.669 6.189) 6.440 36.373 ( 0.900 -1.720 -5.186) 5.537 90.959 ( 0.159 2.101 0.234) 2.120 91.043 ( -0.450 2.064 -1.336) 2.500 91.651 ( 1.526 -3.977 5.414) 6.889 91.725 ( -1.403 -10.892 12.560) 16.684 93.639 ( 0.425 4.198 -0.227) 4.226 93.670 ( -0.494 4.551 -1.185) 4.728 94.255 ( -2.198 -1.957 6.226) 6.886 94.712 ( 2.848 -5.727 -2.606) 6.907 94.843 ( 0.236 -1.228 2.743) 3.014 95.257 ( 1.484 -8.513 -1.750) 8.817 95.823 ( 4.653 -26.198 46.266) 53.372 97.427 ( -2.139 -30.749 -6.007) 31.403 97.916 ( -0.089 2.394 1.350) 2.750 98.073 ( -1.047 -1.103 0.959) 1.797 99.021 ( -0.999 4.168 3.080) 5.278 99.331 ( 1.491 -6.347 -2.235) 6.892 102.415 ( 0.381 1.336 0.208) 1.405 102.436 ( -0.505 1.285 -0.256) 1.405 102.725 ( 0.446 5.769 1.465) 5.969 102.940 ( 0.100 2.086 -3.867) 4.395 107.581 ( 0.291 0.016 -0.062) 0.298 107.587 ( -0.345 0.048 -0.203) 0.403 107.740 ( -0.507 -0.295 0.948) 1.115 107.817 ( 0.214 -1.367 -0.814) 1.605 ======================= Grid point 116 (48/126) ======================= q-point: ( 0.12 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( -3.386 31.867 4.555) 32.368 2.328 ( 2.880 37.418 -3.438) 37.686 2.720 ( 7.187 13.616 51.399) 53.655 3.128 ( 30.521 62.655 0.840) 69.699 3.599 ( 31.530 55.066 -4.235) 63.595 4.250 ( -11.048 13.680 -4.415) 18.130 4.649 ( -16.426 35.591 1.310) 39.221 4.750 ( -7.227 17.455 -11.740) 22.242 4.999 ( -15.727 22.004 6.717) 27.868 5.547 ( -18.643 3.233 -11.050) 21.911 5.720 ( 8.097 -2.783 -4.560) 9.700 6.195 ( -27.117 -17.238 2.208) 32.208 6.508 ( -14.945 -16.812 -10.632) 24.880 6.532 ( 7.758 -3.749 -6.816) 10.987 6.925 ( -0.624 -8.670 5.165) 10.111 7.110 ( -1.826 -7.090 0.651) 7.351 7.203 ( 3.739 -12.255 -1.732) 12.929 7.332 ( 6.295 -8.843 1.189) 10.920 7.429 ( -9.156 -2.069 -1.719) 9.543 7.566 ( 7.332 -14.293 -0.945) 16.091 7.719 ( 27.591 -24.530 1.325) 36.943 7.792 ( 15.015 -7.668 -4.646) 17.489 7.984 ( -1.033 -9.781 -1.967) 10.030 8.035 ( 7.581 -11.235 -3.726) 14.056 8.287 ( 1.045 -3.853 2.340) 4.628 8.428 ( -7.106 0.091 2.418) 7.506 8.494 ( 0.753 -0.255 2.531) 2.653 8.559 ( 0.451 2.928 3.475) 4.566 8.764 ( -4.436 1.943 -0.527) 4.871 8.852 ( -4.417 3.494 -2.949) 6.358 9.027 ( -5.011 -4.478 -1.407) 6.866 9.330 ( 9.485 2.836 0.671) 9.923 9.587 ( -5.981 -0.908 1.287) 6.185 9.779 ( 3.314 -4.241 3.035) 6.179 10.306 ( 1.365 6.362 1.901) 6.779 10.435 ( 2.414 10.277 -0.771) 10.585 10.573 ( 5.281 -8.421 0.006) 9.940 10.638 ( 4.788 -9.308 -2.688) 10.807 10.742 ( -3.121 11.332 7.886) 14.155 10.909 ( 0.087 3.354 4.119) 5.312 11.086 ( -4.097 3.223 -2.646) 5.846 11.203 ( 4.750 2.099 -4.904) 7.143 11.321 ( 0.845 14.421 1.297) 14.503 11.360 ( -10.679 -8.030 -0.254) 13.364 11.538 ( -3.188 -6.780 3.073) 8.098 11.560 ( 5.450 5.961 0.051) 8.077 11.661 ( 0.924 -9.658 1.745) 9.858 11.748 ( -1.096 -10.842 1.904) 11.063 11.863 ( -0.042 -7.275 4.656) 8.637 12.005 ( -1.260 -3.890 2.869) 4.995 12.114 ( -0.197 -2.444 0.521) 2.507 12.232 ( 3.080 -5.390 -1.730) 6.445 12.328 ( 5.427 -0.487 -4.262) 6.918 12.409 ( -0.547 -17.239 -5.271) 18.035 12.737 ( -5.083 2.072 -3.311) 6.411 12.823 ( -3.548 0.972 -0.416) 3.702 13.021 ( -1.069 6.632 -2.362) 7.121 13.129 ( 0.310 10.293 -1.834) 10.460 13.282 ( -8.199 7.235 -1.420) 11.027 13.483 ( -5.092 11.258 -3.141) 12.749 13.509 ( 2.754 11.283 5.699) 12.937 13.658 ( 9.792 1.046 -2.632) 10.193 14.029 ( -0.013 5.300 0.620) 5.336 14.241 ( 2.081 10.674 -4.255) 11.677 14.570 ( -1.613 -1.956 -2.110) 3.299 14.674 ( -3.527 2.241 -5.225) 6.690 14.835 ( -2.660 -1.355 -0.604) 3.046 14.943 ( -4.269 2.486 -2.163) 5.393 14.971 ( -7.172 -3.698 3.814) 8.925 15.222 ( -7.673 -0.830 1.725) 7.908 15.391 ( 8.972 -4.499 0.392) 10.045 15.570 ( -5.086 0.889 2.845) 5.895 15.680 ( 4.073 1.110 -3.901) 5.748 15.772 ( -3.000 2.659 1.290) 4.211 15.910 ( 4.192 1.925 -1.781) 4.945 16.058 ( 3.216 1.411 -5.306) 6.363 16.126 ( -7.754 6.976 -0.044) 10.430 16.191 ( 2.058 -3.189 0.721) 3.863 16.299 ( -0.768 -3.185 6.048) 6.879 16.570 ( 8.881 -8.753 1.494) 12.558 16.759 ( 0.266 -6.594 -1.711) 6.817 16.789 ( 4.005 0.298 8.084) 9.027 16.961 ( -4.323 1.378 3.363) 5.648 17.231 ( 15.078 -2.505 5.700) 16.313 17.679 ( -0.533 -6.226 -0.658) 6.283 17.892 ( 2.566 -3.248 -2.022) 4.607 18.078 ( -1.138 -2.088 7.534) 7.900 18.272 ( -1.292 0.534 -0.690) 1.559 18.530 ( 0.573 4.774 -0.610) 4.847 18.607 ( 3.066 3.160 -2.895) 5.269 18.894 ( -5.731 8.951 -6.294) 12.352 18.944 ( 4.476 9.182 0.826) 10.248 19.553 ( -2.194 -1.722 0.110) 2.791 19.582 ( 0.764 -1.208 1.963) 2.429 20.273 ( 0.286 -14.929 4.531) 15.604 20.350 ( -0.100 -14.629 -0.087) 14.630 20.882 ( -1.547 -0.842 -2.229) 2.841 20.956 ( 7.054 6.414 2.186) 9.781 21.210 ( 3.783 -5.203 7.510) 9.888 21.516 ( -16.099 -15.357 -20.829) 30.478 23.769 ( -0.174 4.053 1.092) 4.201 23.972 ( -0.546 2.491 -9.274) 9.618 24.207 ( -0.683 -6.880 0.616) 6.941 24.310 ( -1.959 2.196 -7.168) 7.748 24.888 ( -6.895 -1.685 -0.039) 7.098 25.014 ( -3.683 0.098 1.442) 3.957 25.329 ( 6.956 3.604 1.396) 7.958 25.400 ( 5.232 -0.270 -3.840) 6.495 25.750 ( 1.837 5.923 10.317) 12.037 25.943 ( 0.697 5.000 4.203) 6.569 26.370 ( -1.139 1.107 11.105) 11.218 26.521 ( -6.129 -1.505 1.516) 6.491 27.184 ( 3.571 -2.386 0.971) 4.403 27.736 ( 0.713 -0.705 -14.889) 14.923 27.956 ( -9.463 7.639 1.154) 12.216 27.997 ( -3.651 6.757 2.161) 7.978 28.867 ( -2.984 1.733 5.128) 6.181 29.187 ( 7.589 2.755 5.071) 9.534 29.448 ( -7.397 0.778 -2.133) 7.737 29.566 ( -0.005 1.606 7.026) 7.207 29.670 ( -2.024 0.826 -6.850) 7.191 30.029 ( 8.629 -1.483 1.702) 8.920 30.085 ( 0.283 3.106 -5.114) 5.991 30.328 ( 9.896 -1.196 -3.460) 10.551 31.430 ( -4.843 2.368 1.585) 5.619 31.646 ( 4.634 -1.554 0.077) 4.888 31.807 ( 0.647 -4.515 0.445) 4.583 31.903 ( 2.196 -4.949 -2.325) 5.892 32.249 ( -4.890 -1.755 1.827) 5.508 32.302 ( 0.586 -0.140 1.424) 1.546 32.814 ( -5.832 7.758 3.573) 10.343 32.910 ( -10.189 -4.390 -1.622) 11.212 33.131 ( 6.173 -6.421 0.566) 8.925 33.313 ( 10.151 5.722 -9.422) 14.985 33.768 ( -3.810 3.426 1.002) 5.221 33.938 ( -4.248 4.025 0.002) 5.852 34.045 ( -0.171 3.389 -2.199) 4.044 34.127 ( 6.006 4.692 -0.755) 7.659 34.588 ( -3.406 -1.173 0.366) 3.621 34.700 ( -2.858 1.859 -0.474) 3.442 34.990 ( 9.661 8.748 0.387) 13.039 35.092 ( 5.495 14.954 -6.185) 17.091 35.927 ( -1.704 -1.282 7.381) 7.683 36.292 ( -1.095 -1.679 -6.891) 7.177 90.968 ( -0.329 2.056 0.611) 2.170 91.016 ( -0.338 2.433 -1.113) 2.697 91.753 ( 1.756 -5.341 6.346) 8.479 91.802 ( -2.665 -9.391 4.849) 10.899 93.640 ( -0.376 4.839 -0.650) 4.897 93.656 ( 0.806 4.149 -0.115) 4.228 94.297 ( -3.603 -2.409 6.671) 7.955 94.626 ( -4.789 -1.945 -5.091) 7.255 94.944 ( 4.458 -3.587 8.156) 9.963 95.332 ( 15.532 -10.744 -8.011) 20.515 96.409 ( -6.286 -40.395 41.858) 58.509 97.233 ( -9.721 -33.491 -11.881) 36.842 97.935 ( -0.960 2.251 2.841) 3.750 98.045 ( -2.341 0.560 -1.012) 2.611 98.932 ( -13.174 6.921 2.493) 15.089 99.320 ( -1.411 -5.351 -2.139) 5.933 102.423 ( -0.478 1.350 -0.400) 1.486 102.428 ( 0.666 1.324 0.444) 1.548 102.735 ( -1.380 5.745 1.021) 5.996 102.905 ( 1.599 2.892 -2.952) 4.431 107.575 ( -0.383 0.125 -0.383) 0.556 107.593 ( 0.794 -0.057 0.144) 0.809 107.763 ( 1.611 -0.937 0.788) 2.024 107.819 ( 1.541 -1.474 -0.845) 2.294 ======================= Grid point 117 (49/126) ======================= q-point: ( 0.25 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 24.213 15.372 -2.481) 28.787 2.416 ( 11.694 29.321 4.000) 31.819 3.391 ( 3.319 9.982 36.015) 37.520 3.616 ( 26.537 47.263 -5.596) 54.492 3.855 ( 1.680 20.576 -26.799) 33.829 4.093 ( 27.261 42.032 -3.585) 50.227 4.364 ( -18.436 30.298 1.930) 35.519 4.556 ( -13.728 21.351 8.484) 26.764 4.739 ( -25.400 11.178 3.095) 27.923 5.142 ( -18.569 11.084 -3.056) 21.840 5.726 ( -19.675 -6.923 -3.678) 21.179 6.003 ( 10.108 -5.858 0.117) 11.683 6.078 ( -20.464 -10.302 -1.680) 22.973 6.699 ( 17.496 -4.255 -6.933) 19.294 6.944 ( -2.975 -5.587 1.463) 6.496 7.083 ( -0.930 -6.911 -0.078) 6.974 7.170 ( -2.955 -7.115 -1.426) 7.835 7.252 ( -10.150 -5.118 0.258) 11.370 7.440 ( 2.342 -8.531 1.033) 8.906 7.629 ( -2.714 0.609 -3.703) 4.632 7.805 ( 2.223 -2.424 -0.236) 3.298 7.843 ( -5.613 0.828 2.890) 6.367 8.112 ( 4.724 -7.220 -0.965) 8.683 8.214 ( 0.262 -4.164 1.538) 4.447 8.372 ( 5.578 -0.113 -1.622) 5.810 8.439 ( 21.225 -20.565 1.961) 29.619 8.533 ( 5.159 -8.177 0.845) 9.706 8.625 ( 1.109 4.263 3.949) 5.916 8.713 ( -2.577 -2.610 -5.357) 6.492 8.822 ( 11.190 -8.061 1.813) 13.910 9.003 ( 5.049 -6.787 -1.153) 8.537 9.420 ( 3.770 -0.077 -0.945) 3.887 9.529 ( -3.289 -4.600 0.621) 5.689 9.846 ( 1.212 -5.890 1.745) 6.261 10.331 ( -0.699 -2.058 1.099) 2.435 10.387 ( -6.263 4.857 -2.741) 8.386 10.602 ( -4.516 -10.581 -1.496) 11.601 10.690 ( 2.745 -0.655 0.584) 2.882 10.822 ( 0.954 3.971 2.659) 4.873 10.845 ( -11.163 4.076 4.406) 12.674 11.024 ( -1.166 -2.125 -1.026) 2.632 11.233 ( -5.400 -5.266 -0.276) 7.548 11.277 ( 11.948 9.480 -1.481) 15.323 11.379 ( 5.368 10.718 0.300) 11.991 11.532 ( 1.105 -10.014 -0.203) 10.077 11.602 ( -5.504 -19.436 -0.364) 20.203 11.702 ( 6.959 4.698 3.649) 9.156 11.792 ( 2.427 -6.357 -0.271) 6.810 11.866 ( -0.873 -7.151 -0.927) 7.263 12.024 ( 1.663 3.108 -0.901) 3.638 12.123 ( -1.094 0.104 2.513) 2.743 12.225 ( 2.287 -10.288 -1.146) 10.601 12.316 ( 2.188 8.809 -7.521) 11.788 12.388 ( 0.742 -7.364 0.235) 7.405 12.640 ( -8.283 2.061 2.608) 8.925 12.775 ( -2.978 -1.856 0.870) 3.615 12.964 ( -7.502 14.013 1.145) 15.936 13.062 ( -8.156 7.893 -2.449) 11.611 13.218 ( 1.799 11.906 -1.797) 12.175 13.334 ( -1.171 7.132 -3.785) 8.159 13.599 ( 1.646 6.716 3.722) 7.853 13.777 ( 6.340 2.374 0.884) 6.827 14.091 ( 9.570 4.295 -1.201) 10.558 14.193 ( -6.342 3.657 -3.337) 8.046 14.508 ( -5.715 0.201 1.102) 5.823 14.583 ( -1.158 6.436 -1.114) 6.633 14.759 ( -5.522 1.556 -0.417) 5.752 14.878 ( -3.213 1.290 0.659) 3.524 14.942 ( -3.686 -3.349 4.134) 6.473 15.155 ( -4.004 1.432 0.255) 4.260 15.453 ( -6.382 -3.498 -0.773) 7.319 15.536 ( 6.716 -0.817 -0.629) 6.795 15.713 ( 3.808 3.290 -1.863) 5.366 15.765 ( -0.816 3.849 1.974) 4.402 15.788 ( -5.502 4.530 -8.311) 10.949 16.045 ( -5.502 1.267 1.746) 5.910 16.117 ( 3.040 -1.941 0.247) 3.615 16.234 ( 2.369 -3.432 1.041) 4.298 16.404 ( 3.757 -5.003 7.104) 9.466 16.657 ( 4.166 -11.081 -3.031) 12.220 16.767 ( 3.793 -5.350 -1.344) 6.695 16.913 ( 1.813 -0.591 1.943) 2.722 17.006 ( 4.951 -2.470 2.518) 6.079 17.510 ( 13.199 -6.824 0.996) 14.892 17.692 ( 0.774 -1.155 5.926) 6.087 17.837 ( -0.033 -1.984 -7.014) 7.290 18.149 ( 0.145 -1.941 4.211) 4.639 18.346 ( 4.668 -0.037 4.705) 6.628 18.567 ( 4.233 2.765 2.569) 5.671 18.634 ( 4.028 3.593 -0.939) 5.478 18.792 ( -1.134 7.313 -2.468) 7.801 19.063 ( 5.232 7.204 5.959) 10.713 19.519 ( -2.004 -1.608 -0.559) 2.629 19.610 ( 0.356 -1.371 1.332) 1.945 20.210 ( -7.276 -11.344 -5.954) 14.734 20.373 ( 0.750 -14.529 1.293) 14.606 20.677 ( -10.086 1.871 -9.495) 13.978 20.889 ( -12.870 -1.806 -15.991) 20.606 21.181 ( 2.221 4.376 2.782) 5.641 21.463 ( 4.050 -15.094 12.101) 19.766 23.779 ( -0.875 1.240 0.968) 1.800 23.878 ( -0.407 3.770 -4.085) 5.573 24.120 ( -5.635 2.822 -3.833) 7.377 24.287 ( 2.624 -3.755 1.107) 4.713 24.784 ( -6.484 -0.036 -0.151) 6.486 24.947 ( -7.511 0.358 0.989) 7.585 25.416 ( 6.315 0.685 -2.417) 6.796 25.429 ( 4.469 2.103 -1.649) 5.207 25.648 ( -7.210 9.983 -6.991) 14.161 26.130 ( -3.529 -0.786 2.372) 4.324 26.362 ( 7.923 11.732 4.785) 14.943 26.700 ( 5.774 -9.638 17.908) 21.141 27.290 ( -0.615 1.546 6.259) 6.476 27.421 ( -6.977 1.460 -24.352) 25.374 27.850 ( -7.425 7.222 2.395) 10.631 27.955 ( -5.620 8.772 1.657) 10.549 28.956 ( 1.350 -0.271 7.072) 7.205 29.279 ( 4.554 6.995 -7.273) 11.071 29.337 ( -5.077 -0.291 3.277) 6.050 29.585 ( 1.331 -2.828 -1.197) 3.347 29.675 ( 2.587 -0.347 4.373) 5.092 29.956 ( -5.429 1.608 -3.190) 6.499 30.300 ( 15.645 -2.296 3.816) 16.267 30.426 ( 7.892 -3.818 -2.289) 9.061 31.419 ( -0.581 2.860 2.701) 3.977 31.681 ( -2.110 -0.916 -1.588) 2.795 31.784 ( 4.301 -2.292 -2.633) 5.539 31.938 ( 1.376 -6.616 0.069) 6.757 32.175 ( -6.367 -1.532 0.732) 6.589 32.328 ( 1.679 1.074 0.297) 2.015 32.733 ( -9.958 -2.657 -1.637) 10.435 32.787 ( -5.095 2.200 3.510) 6.566 33.251 ( 6.145 -3.574 3.925) 8.120 33.352 ( 8.574 3.671 -6.332) 11.273 33.699 ( -5.487 4.263 -1.293) 7.068 33.876 ( -5.127 4.654 1.564) 7.099 34.017 ( 0.229 3.565 -1.737) 3.973 34.199 ( 4.856 5.118 -1.110) 7.142 34.547 ( -2.091 -0.123 0.408) 2.134 34.673 ( -1.098 -0.257 0.179) 1.141 35.122 ( 8.743 9.528 -3.526) 13.403 35.133 ( 7.252 12.571 0.023) 14.513 35.984 ( -3.342 -1.349 6.913) 7.796 36.186 ( -1.161 -1.252 -6.220) 6.451 90.950 ( -1.404 2.414 -0.577) 2.851 91.023 ( 0.835 2.262 0.769) 2.531 91.791 ( -2.026 -7.032 -0.370) 7.328 91.845 ( 1.179 -6.736 3.873) 7.859 93.626 ( -0.303 4.376 -0.424) 4.407 93.678 ( 1.355 4.524 0.419) 4.741 94.310 ( -4.937 -2.514 4.902) 7.397 94.503 ( -3.642 0.126 -3.776) 5.248 95.194 ( 11.456 -8.013 13.232) 19.250 95.447 ( 19.002 -14.519 -14.914) 28.184 96.607 ( -18.651 -31.650 8.851) 37.788 96.889 ( -17.490 -37.413 -0.723) 41.306 97.952 ( -2.389 1.870 2.567) 3.974 97.997 ( -1.245 1.585 -1.169) 2.330 98.789 ( -7.637 12.913 0.738) 15.020 99.214 ( -9.075 0.568 -1.720) 9.254 102.413 ( -0.251 1.367 -0.296) 1.421 102.442 ( 0.424 1.266 0.401) 1.394 102.731 ( 0.949 5.143 -0.230) 5.235 102.899 ( 0.001 2.807 -0.583) 2.867 107.566 ( -0.178 0.172 -0.224) 0.334 107.606 ( 0.603 -0.130 0.098) 0.625 107.796 ( 1.637 -1.649 0.461) 2.369 107.840 ( 2.227 -2.114 -0.380) 3.094 ======================= Grid point 118 (50/126) ======================= q-point: ( 0.38 0.20 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( 39.904 7.417 -6.163) 41.053 2.777 ( 24.071 15.595 9.029) 30.069 3.289 ( 4.779 17.186 -43.430) 46.950 3.452 ( -13.467 5.015 -17.768) 22.852 3.723 ( -19.782 25.758 1.327) 32.505 4.023 ( -30.955 16.953 4.816) 35.620 4.452 ( 3.704 33.347 7.475) 34.375 4.708 ( 0.069 11.118 18.802) 21.844 4.732 ( 32.648 34.322 -0.269) 47.370 5.029 ( -8.483 11.751 19.381) 24.201 5.398 ( -13.567 14.812 -1.929) 20.179 5.783 ( -20.813 12.677 2.359) 24.484 6.218 ( 9.413 -12.736 4.394) 16.435 6.802 ( 2.917 -11.846 -3.160) 12.603 6.913 ( 4.607 -6.216 -4.636) 9.019 7.110 ( 3.317 0.955 -2.722) 4.396 7.119 ( 1.038 -14.713 0.093) 14.750 7.142 ( -6.478 3.588 2.042) 7.681 7.377 ( -15.099 1.400 -1.256) 15.216 7.494 ( -3.316 -4.325 1.382) 5.622 7.767 ( -5.793 5.214 0.447) 7.807 7.902 ( 4.372 -1.140 1.413) 4.734 8.068 ( -6.086 0.116 -0.752) 6.133 8.206 ( 0.887 -1.493 -0.146) 1.743 8.383 ( 1.521 -5.468 4.349) 7.150 8.505 ( -0.842 -2.782 -6.098) 6.755 8.619 ( -2.447 -2.953 0.248) 3.843 8.666 ( -1.437 1.324 1.597) 2.524 8.850 ( 10.237 -10.211 0.319) 14.463 9.116 ( 30.158 -18.026 3.552) 35.314 9.275 ( 27.618 -13.838 -1.038) 30.909 9.451 ( 2.704 -2.295 0.228) 3.554 9.510 ( 3.254 -9.876 -2.202) 10.629 9.838 ( -5.072 -7.081 -0.309) 8.716 10.152 ( -20.790 -8.622 -2.329) 22.627 10.292 ( -9.170 -6.222 0.123) 11.082 10.445 ( -9.448 -7.835 -1.716) 12.394 10.584 ( -11.819 -2.269 0.550) 12.048 10.796 ( -0.540 4.154 1.143) 4.342 10.909 ( 3.816 5.588 0.909) 6.827 11.020 ( 2.961 -3.984 -3.976) 6.360 11.206 ( -2.287 -4.413 5.150) 7.157 11.440 ( 7.629 7.365 -0.105) 10.604 11.464 ( 7.466 2.823 -1.110) 8.059 11.527 ( -1.331 -20.185 -0.060) 20.229 11.561 ( 1.892 -5.819 -0.218) 6.123 11.749 ( 2.912 -1.814 -6.428) 7.286 11.828 ( 2.455 -9.410 0.582) 9.742 11.944 ( 10.642 6.159 1.925) 12.445 12.033 ( 0.105 -0.011 -1.220) 1.225 12.110 ( 0.152 6.368 -6.519) 9.114 12.218 ( 1.787 0.832 -5.315) 5.668 12.282 ( 0.850 -2.290 2.847) 3.751 12.411 ( -1.691 1.424 2.714) 3.501 12.536 ( -10.483 4.582 1.498) 11.538 12.712 ( -13.875 0.750 4.705) 14.671 12.837 ( -3.337 8.326 -1.397) 9.078 12.999 ( 1.482 13.009 4.052) 13.705 13.160 ( -4.807 20.120 -0.693) 20.698 13.425 ( 9.389 3.233 0.121) 9.931 13.686 ( 5.857 2.863 2.402) 6.947 13.865 ( 2.388 2.927 2.249) 4.396 13.981 ( -12.605 0.965 -4.329) 13.363 14.221 ( 8.387 6.292 -1.036) 10.535 14.467 ( -3.650 0.574 4.217) 5.606 14.588 ( -0.383 1.393 1.526) 2.101 14.675 ( -8.083 3.715 2.415) 9.218 14.855 ( -0.904 0.154 0.062) 0.920 14.983 ( -0.726 0.169 5.544) 5.594 15.079 ( -4.395 3.625 -0.435) 5.714 15.388 ( -0.660 0.843 -0.492) 1.178 15.568 ( 1.862 -2.499 -5.395) 6.231 15.658 ( -0.933 2.180 -1.225) 2.669 15.748 ( -1.779 4.032 1.290) 4.592 15.797 ( 4.876 3.476 0.519) 6.011 15.970 ( -6.288 -2.497 0.010) 6.766 16.146 ( 1.617 -1.900 -0.263) 2.509 16.270 ( 1.125 -5.543 0.589) 5.687 16.530 ( 5.208 -9.498 0.012) 10.832 16.599 ( -1.828 -6.765 -6.982) 9.892 16.844 ( 5.214 -5.051 -1.248) 7.366 16.919 ( 0.068 -2.893 1.049) 3.079 17.096 ( 4.998 -4.243 -1.931) 6.834 17.589 ( 4.006 -3.963 -2.309) 6.090 17.792 ( 0.883 -3.972 0.186) 4.073 17.838 ( 1.807 -1.757 6.230) 6.720 18.172 ( 0.322 -3.871 -0.997) 4.010 18.417 ( 1.858 0.278 -2.970) 3.514 18.671 ( 1.280 5.289 2.599) 6.030 18.695 ( 2.985 2.802 2.284) 4.688 18.821 ( 6.670 -2.092 0.320) 6.997 19.143 ( -6.852 0.500 1.649) 7.065 19.503 ( 0.072 1.593 0.781) 1.775 19.638 ( 0.254 -1.615 -0.588) 1.737 19.933 ( -3.378 -2.808 -10.135) 11.046 20.390 ( 0.057 -15.245 0.331) 15.249 20.494 ( -2.075 -0.281 -0.533) 2.160 20.661 ( -4.310 6.789 1.475) 8.176 21.268 ( 1.558 5.133 2.110) 5.764 21.594 ( -3.510 -13.654 7.127) 15.797 23.767 ( -0.302 -0.106 0.089) 0.333 23.855 ( -1.682 3.388 1.149) 3.953 24.051 ( -0.658 8.016 2.252) 8.352 24.360 ( 2.521 -3.456 3.934) 5.811 24.711 ( -3.979 1.981 0.817) 4.519 24.840 ( -6.291 0.022 -1.016) 6.373 25.435 ( 3.252 6.819 -7.817) 10.871 25.471 ( 4.924 1.906 -2.016) 5.652 25.526 ( -1.063 4.897 0.213) 5.015 26.046 ( -4.414 -1.936 0.698) 4.871 26.573 ( 8.448 6.528 1.910) 10.846 26.929 ( -8.475 -0.953 -27.780) 29.060 27.024 ( 5.693 0.707 11.489) 12.842 27.347 ( -4.130 5.255 10.549) 12.488 27.725 ( -4.680 6.461 -10.071) 12.848 27.959 ( -3.186 7.956 10.453) 13.517 29.001 ( -0.378 -1.728 -2.740) 3.261 29.245 ( 1.508 2.230 -5.435) 6.065 29.329 ( 0.340 2.923 4.564) 5.430 29.640 ( 1.507 -4.277 2.246) 5.061 29.765 ( 3.494 -0.379 3.157) 4.724 29.839 ( -4.483 1.532 -4.110) 6.272 30.456 ( 2.828 -5.507 -0.048) 6.191 30.551 ( 8.343 -4.696 1.225) 9.652 31.464 ( 0.438 2.133 3.275) 3.933 31.601 ( -0.232 4.314 -3.602) 5.625 31.834 ( 1.067 -4.107 0.948) 4.348 31.942 ( 0.897 -7.026 -0.540) 7.104 32.112 ( -3.114 -0.224 0.630) 3.185 32.355 ( 2.964 -0.274 -1.862) 3.511 32.594 ( -7.017 -2.222 0.019) 7.361 32.749 ( -4.678 -1.462 1.376) 5.091 33.377 ( 5.329 1.336 -0.055) 5.494 33.408 ( 2.404 0.802 2.722) 3.719 33.601 ( -2.726 5.554 -1.780) 6.438 33.835 ( -4.037 4.237 2.380) 6.318 34.012 ( 0.803 2.725 -0.057) 2.841 34.233 ( 3.131 5.579 -2.559) 6.891 34.543 ( -0.690 -1.360 2.055) 2.559 34.669 ( 0.032 -0.938 0.319) 0.991 35.196 ( 6.695 11.677 -1.786) 13.578 35.229 ( 4.019 9.057 0.491) 9.921 36.000 ( -4.823 -1.274 5.164) 7.180 36.126 ( 1.091 -0.545 -2.724) 2.984 90.933 ( -0.606 2.590 0.438) 2.696 91.037 ( 0.106 2.100 -0.071) 2.104 91.743 ( -0.532 -5.666 -4.010) 6.962 91.869 ( -0.441 -7.471 -1.377) 7.609 93.623 ( 0.019 4.110 0.214) 4.116 93.696 ( 0.743 4.563 -0.320) 4.634 94.281 ( -4.703 -2.212 1.899) 5.534 94.436 ( -0.681 1.091 -1.835) 2.241 95.436 ( 10.808 -19.631 -19.900) 29.970 95.589 ( 16.301 -15.044 7.522) 23.423 96.185 ( -9.993 -15.615 -18.103) 25.912 96.770 ( -23.436 -32.427 17.152) 43.531 97.923 ( -1.308 2.331 -1.223) 2.940 97.992 ( -1.070 0.556 1.475) 1.905 98.750 ( 0.369 14.726 1.047) 14.768 99.056 ( -8.988 6.696 -0.856) 11.241 102.409 ( 0.007 1.339 -0.014) 1.340 102.448 ( -0.004 1.274 -0.020) 1.274 102.762 ( 3.130 3.980 0.018) 5.063 102.881 ( -2.154 2.757 0.110) 3.500 107.565 ( -0.001 0.175 0.142) 0.226 107.612 ( 0.263 -0.101 -0.139) 0.314 107.820 ( 0.900 -2.077 0.534) 2.326 107.866 ( 1.492 -2.932 0.022) 3.290 ======================= Grid point 119 (51/126) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( -21.203 11.550 -25.480) 35.102 2.938 ( 21.685 17.414 -40.358) 49.013 3.052 ( 21.621 14.815 -3.088) 26.391 3.322 ( -13.597 13.305 -11.965) 22.473 3.407 ( 3.662 -4.543 6.945) 9.071 3.523 ( -7.926 15.590 0.552) 17.498 4.699 ( 4.500 27.736 12.682) 30.829 4.808 ( -12.395 23.103 -0.366) 26.221 5.051 ( -6.239 14.873 19.754) 25.502 5.186 ( 14.309 31.163 2.577) 34.388 5.437 ( -13.867 24.569 9.569) 29.791 5.649 ( 9.504 16.171 14.731) 23.850 6.342 ( -3.446 -16.603 6.182) 18.049 6.794 ( 5.642 -10.912 -3.835) 12.869 6.958 ( 5.195 -4.452 -2.190) 7.184 7.013 ( -5.053 -6.338 -1.487) 8.242 7.120 ( 3.999 -1.237 -2.477) 4.864 7.139 ( -9.986 -2.572 -2.821) 10.691 7.272 ( 9.424 -2.967 2.259) 10.135 7.494 ( -1.536 -2.923 2.802) 4.330 7.702 ( -1.608 6.670 -0.025) 6.862 7.942 ( 1.548 -5.155 -0.000) 5.383 8.017 ( -3.841 4.396 -0.168) 5.840 8.166 ( -0.542 -0.256 -4.319) 4.360 8.438 ( 3.120 -6.662 2.512) 7.774 8.527 ( 2.843 -3.960 -0.204) 4.879 8.597 ( 1.022 -0.998 -0.821) 1.648 8.643 ( -3.857 2.893 3.325) 5.857 8.929 ( 0.930 -9.192 3.530) 9.890 9.413 ( -1.740 -10.152 -5.169) 11.524 9.440 ( -2.491 -3.321 0.538) 4.186 9.558 ( -20.335 -14.772 0.358) 25.137 9.605 ( 20.098 -13.544 1.076) 24.260 9.758 ( 2.876 -18.122 -3.047) 18.600 9.887 ( -0.870 -10.267 1.211) 10.374 10.115 ( 2.029 -6.278 -2.546) 7.072 10.395 ( 1.526 -4.081 0.319) 4.369 10.490 ( -1.298 -3.787 -1.482) 4.268 10.755 ( -3.214 5.588 -2.615) 6.957 10.928 ( -0.998 2.613 -0.716) 2.887 11.029 ( 0.856 -5.578 0.435) 5.660 11.240 ( -1.090 0.623 2.026) 2.384 11.457 ( 2.142 -12.844 -2.687) 13.296 11.519 ( 1.612 -13.610 -2.001) 13.851 11.572 ( -0.108 -14.521 1.292) 14.579 11.599 ( 1.994 7.052 4.051) 8.373 11.743 ( 1.864 -3.003 -1.018) 3.678 11.813 ( -6.549 -5.510 -3.193) 9.135 11.955 ( -0.660 8.934 -2.516) 9.305 12.041 ( 0.029 5.495 -5.569) 7.824 12.087 ( -0.416 16.267 -0.696) 16.288 12.199 ( 5.750 1.837 -3.878) 7.175 12.284 ( -3.137 1.042 0.685) 3.376 12.396 ( 0.377 2.724 -1.244) 3.018 12.435 ( 4.046 -6.438 -1.802) 7.815 12.676 ( -2.950 2.557 8.536) 9.386 12.862 ( 3.040 9.900 3.662) 10.985 13.037 ( -3.533 16.792 -0.478) 17.166 13.175 ( 3.983 16.144 5.898) 17.643 13.511 ( 3.287 5.261 -1.039) 6.289 13.662 ( -13.836 -0.549 -1.057) 13.887 13.877 ( 2.123 -0.549 1.957) 2.940 13.969 ( 8.386 9.633 3.878) 13.348 14.290 ( 2.680 7.440 0.602) 7.930 14.518 ( 4.149 -2.373 2.484) 5.387 14.563 ( -8.613 4.425 2.662) 10.043 14.619 ( -2.191 -1.703 3.260) 4.281 14.839 ( -1.219 1.676 -1.241) 2.416 14.971 ( -2.966 0.002 3.096) 4.287 15.135 ( 2.623 3.247 5.334) 6.773 15.353 ( -1.900 3.070 -2.509) 4.396 15.584 ( 6.985 -3.174 -1.936) 7.913 15.659 ( 2.509 3.133 -1.650) 4.339 15.707 ( -3.135 0.141 -0.490) 3.176 15.874 ( -4.459 -0.774 -1.645) 4.815 15.915 ( 4.416 0.526 6.199) 7.629 16.153 ( -0.287 -2.153 -0.376) 2.204 16.278 ( -0.622 -3.151 -0.290) 3.224 16.431 ( -5.374 -7.597 -8.185) 12.393 16.587 ( 5.561 -8.404 -4.506) 11.039 16.801 ( 0.953 -1.764 -8.318) 8.557 16.952 ( -1.951 -5.903 -0.572) 6.243 17.133 ( 0.382 -3.230 4.096) 5.230 17.597 ( 0.612 -1.494 -4.017) 4.329 17.845 ( -1.434 -0.611 0.145) 1.565 17.866 ( -1.002 -7.863 6.890) 10.503 18.134 ( -1.324 -4.490 -3.999) 6.156 18.298 ( -3.930 -5.276 -13.170) 14.722 18.659 ( -3.954 5.370 0.323) 6.676 18.760 ( 0.506 2.591 2.789) 3.841 18.853 ( -1.401 -1.666 -0.732) 2.296 19.023 ( -1.224 7.806 -2.648) 8.333 19.490 ( -1.004 0.488 -1.630) 1.976 19.558 ( -0.405 -1.663 -4.200) 4.535 20.078 ( 10.840 -4.843 7.012) 13.789 20.370 ( -1.431 -13.832 -1.978) 14.046 20.597 ( 7.080 2.785 10.361) 12.854 20.811 ( 9.840 1.392 16.201) 19.007 21.247 ( -4.241 4.501 -2.441) 6.649 21.532 ( -10.183 -11.139 -1.122) 15.134 23.799 ( 1.365 -0.735 2.534) 2.971 23.847 ( 0.151 4.150 0.861) 4.241 24.156 ( 1.273 8.942 12.014) 15.030 24.440 ( -1.176 -2.590 6.348) 6.956 24.686 ( -0.642 -0.091 0.598) 0.882 24.787 ( 1.114 2.208 0.475) 2.519 25.397 ( 6.035 4.950 -7.913) 11.115 25.521 ( 3.262 4.458 -1.329) 5.682 25.528 ( -0.115 4.246 1.165) 4.405 26.011 ( -1.474 -4.322 -5.388) 7.063 26.447 ( -6.873 3.445 -20.790) 22.166 26.617 ( -3.191 -0.920 -3.368) 4.730 27.144 ( 2.144 13.005 0.871) 13.209 27.501 ( 3.209 11.295 -9.402) 15.043 27.552 ( 1.944 -3.244 9.465) 10.192 28.092 ( -1.763 4.808 14.154) 15.052 28.886 ( -2.688 -2.319 -9.547) 10.185 29.208 ( 0.709 -4.038 -2.813) 4.972 29.425 ( 2.213 5.897 3.763) 7.337 29.649 ( -1.331 -1.566 -1.230) 2.394 29.720 ( -4.828 2.321 -1.524) 5.569 29.852 ( 3.835 -0.260 1.579) 4.155 30.484 ( 0.187 -4.988 0.690) 5.039 30.579 ( -1.984 -5.954 -2.369) 6.708 31.482 ( -3.583 2.211 2.870) 5.096 31.636 ( 6.526 4.816 -0.038) 8.110 31.832 ( -2.011 -5.790 1.528) 6.317 31.957 ( 1.897 -7.398 -0.754) 7.675 32.094 ( -1.739 1.125 1.174) 2.381 32.349 ( 0.602 0.245 -3.858) 3.912 32.557 ( 0.796 -3.287 2.073) 3.967 32.698 ( -2.092 -1.362 -0.877) 2.646 33.370 ( -6.844 2.433 -0.537) 7.284 33.443 ( 5.988 2.995 -1.190) 6.800 33.653 ( 3.465 3.393 4.770) 6.803 33.813 ( -3.448 3.232 2.549) 5.370 34.040 ( 1.502 1.388 1.607) 2.601 34.227 ( 1.551 4.993 -3.494) 6.288 34.573 ( -0.499 -2.370 3.676) 4.402 34.676 ( -0.104 -1.704 0.717) 1.852 35.250 ( -0.528 11.710 -0.074) 11.722 35.262 ( 2.912 8.332 -0.111) 8.827 35.982 ( -5.938 -0.692 4.045) 7.218 36.151 ( 4.693 -0.528 0.114) 4.724 90.944 ( 0.289 2.428 1.610) 2.927 91.024 ( -0.537 2.186 -1.172) 2.538 91.676 ( 0.723 -5.064 -6.824) 8.529 91.799 ( -1.549 -6.738 -6.780) 9.683 93.631 ( 0.226 4.146 0.763) 4.222 93.689 ( -0.264 4.553 -1.117) 4.696 94.233 ( -2.939 -1.640 -0.287) 3.378 94.434 ( 2.494 1.130 -0.788) 2.849 95.182 ( -4.309 -14.075 -20.812) 25.492 95.613 ( 9.242 -11.950 -25.226) 29.404 96.289 ( 8.841 -22.495 14.985) 28.438 96.620 ( -13.177 -22.372 8.757) 27.401 97.901 ( -0.039 1.792 -0.672) 1.914 97.988 ( -0.569 0.092 -0.243) 0.626 98.786 ( -1.127 13.971 2.731) 14.280 98.980 ( 1.956 9.162 -0.810) 9.404 102.413 ( 0.185 1.322 0.282) 1.365 102.443 ( -0.213 1.275 -0.403) 1.354 102.803 ( 0.173 3.580 0.809) 3.675 102.853 ( 0.119 2.504 -0.255) 2.520 107.570 ( 0.113 0.129 0.498) 0.527 107.610 ( -0.009 -0.040 -0.386) 0.388 107.835 ( -0.188 -2.592 0.857) 2.736 107.877 ( -0.015 -3.179 -0.021) 3.179 ======================= Grid point 120 (52/126) ======================= q-point: (-0.38 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( -22.278 16.916 -30.965) 41.729 2.574 ( -28.570 16.251 -14.302) 35.845 2.919 ( -15.877 11.075 -3.558) 19.682 3.013 ( 15.547 20.171 -14.647) 29.379 3.706 ( 38.025 18.594 -1.635) 42.360 4.034 ( 22.981 20.155 6.990) 31.356 4.494 ( -15.777 30.613 -3.391) 34.606 4.659 ( -28.327 36.359 2.940) 46.185 5.156 ( 7.100 20.061 1.675) 21.347 5.362 ( -6.351 8.381 25.722) 27.789 5.566 ( 14.920 15.080 2.674) 21.381 6.047 ( 15.808 2.209 9.549) 18.600 6.258 ( -15.117 -14.016 3.528) 20.914 6.811 ( -3.105 -5.740 -1.569) 6.712 6.921 ( 8.754 -11.872 -6.280) 16.032 7.013 ( -3.803 -9.323 -0.939) 10.113 7.114 ( 2.028 0.064 -0.509) 2.092 7.150 ( 8.845 -3.770 1.490) 9.730 7.454 ( 10.365 -6.249 3.113) 12.497 7.527 ( 4.550 1.533 -1.494) 5.028 7.737 ( 2.676 1.382 3.438) 4.571 7.913 ( -5.187 0.762 0.225) 5.248 8.003 ( 8.647 5.182 -2.615) 10.414 8.152 ( 2.928 -1.263 -1.957) 3.741 8.445 ( -3.478 -0.919 -5.303) 6.408 8.555 ( 1.911 -0.878 -1.452) 2.556 8.598 ( -1.292 -1.057 7.717) 7.895 8.696 ( 1.864 -3.741 1.643) 4.491 8.916 ( -22.926 -15.986 3.112) 28.122 9.063 ( -16.496 -15.326 2.582) 22.664 9.273 ( -25.152 -14.096 -1.075) 28.853 9.412 ( -3.043 -8.327 -5.651) 10.513 9.533 ( -3.195 -5.248 4.204) 7.444 9.734 ( -0.849 -3.813 -5.146) 6.460 10.185 ( 24.578 -9.740 -1.258) 26.468 10.266 ( 8.185 -4.091 -0.959) 9.200 10.485 ( 5.655 -4.919 -4.108) 8.547 10.533 ( 16.361 -4.434 1.437) 17.012 10.687 ( -2.745 5.148 0.785) 5.887 10.888 ( -2.103 0.431 -0.209) 2.156 11.016 ( -4.772 -5.256 1.154) 7.192 11.232 ( 0.571 4.210 -1.679) 4.569 11.435 ( -2.777 -12.981 -3.576) 13.748 11.475 ( -4.615 -6.630 -1.466) 8.210 11.556 ( -6.415 -3.066 2.948) 7.697 11.613 ( -7.347 3.169 3.662) 8.800 11.674 ( -2.355 -8.226 -2.867) 9.024 11.732 ( 0.160 -7.993 -1.380) 8.112 11.856 ( -5.863 7.124 -6.595) 11.341 11.965 ( -2.130 0.619 3.956) 4.536 12.061 ( -0.005 3.293 -1.534) 3.633 12.262 ( 6.591 7.508 -4.893) 11.125 12.314 ( 3.193 -0.522 1.049) 3.401 12.426 ( 2.046 -4.085 2.663) 5.288 12.579 ( 16.750 3.189 -0.755) 17.067 12.732 ( 1.265 1.903 0.311) 2.306 12.953 ( 1.733 5.856 -1.824) 6.374 13.009 ( 4.204 17.171 1.584) 17.749 13.294 ( 4.407 18.270 1.690) 18.869 13.476 ( -12.486 -0.040 4.375) 13.231 13.511 ( -2.938 4.609 0.857) 5.533 13.882 ( -3.141 6.588 2.015) 7.571 14.164 ( 5.677 3.616 3.176) 7.443 14.353 ( 8.337 7.632 -2.868) 11.661 14.490 ( -7.195 7.793 7.820) 13.178 14.619 ( 1.670 -3.727 4.610) 6.160 14.641 ( 3.606 1.287 -1.050) 3.970 14.804 ( 0.024 -1.139 -1.222) 1.671 15.009 ( -0.538 0.342 4.880) 4.922 15.211 ( -0.231 -0.271 2.592) 2.616 15.320 ( 3.768 2.024 -2.741) 5.080 15.606 ( -1.403 -6.429 -2.278) 6.963 15.657 ( -0.153 -0.557 1.088) 1.232 15.742 ( 4.406 6.052 0.548) 7.506 15.809 ( 1.678 0.460 -2.185) 2.793 16.050 ( 0.444 -0.891 3.346) 3.491 16.148 ( 0.667 -2.353 2.207) 3.294 16.222 ( -2.305 -3.937 -6.190) 7.690 16.289 ( -4.099 -3.532 -0.146) 5.413 16.583 ( 3.111 -6.728 -6.438) 9.817 16.721 ( 0.127 -0.523 -4.523) 4.554 16.857 ( -3.233 0.631 -4.744) 5.775 17.177 ( -7.698 -6.476 9.200) 13.632 17.460 ( -8.137 -1.132 -7.640) 11.219 17.803 ( -5.141 -4.279 2.575) 7.167 17.886 ( -2.282 -6.140 -5.450) 8.521 18.045 ( -3.006 -2.335 -5.907) 7.027 18.156 ( 4.867 -7.816 -0.866) 9.249 18.626 ( -3.499 5.012 3.295) 6.944 18.768 ( -3.148 1.643 1.788) 3.976 18.876 ( 1.986 8.382 3.344) 9.241 18.984 ( -0.205 7.557 -2.661) 8.015 19.481 ( 1.984 -1.286 -0.626) 2.446 19.514 ( 0.820 -1.560 -3.573) 3.984 20.227 ( 0.742 -10.879 0.822) 10.935 20.315 ( 0.496 -12.405 -2.681) 12.701 20.884 ( 8.011 4.156 13.237) 16.021 21.099 ( -7.338 5.009 -6.743) 11.153 21.246 ( 0.928 -4.942 5.643) 7.558 21.345 ( 7.249 -10.183 6.937) 14.295 23.799 ( -2.603 3.732 0.605) 4.590 23.932 ( 6.828 -1.029 1.866) 7.153 24.316 ( -3.216 5.202 11.606) 13.119 24.509 ( -2.539 2.428 11.646) 12.164 24.732 ( 5.365 -3.582 1.286) 6.578 24.879 ( 4.976 4.078 6.183) 8.923 25.366 ( 3.885 3.676 -12.297) 13.410 25.452 ( -1.293 2.334 -7.764) 8.210 25.624 ( 4.972 4.354 3.209) 7.347 25.717 ( -5.793 -2.910 -22.172) 23.101 26.323 ( -1.386 5.171 1.156) 5.478 26.457 ( -6.748 -0.303 -5.580) 8.762 27.192 ( 4.011 6.936 0.446) 8.025 27.425 ( 9.933 10.134 -10.063) 17.397 27.805 ( 6.409 4.336 14.479) 16.417 28.147 ( -6.748 0.566 -0.519) 6.791 28.806 ( 1.034 -2.255 3.491) 4.283 29.146 ( -1.602 -5.597 -8.544) 10.339 29.453 ( -0.335 6.781 2.095) 7.105 29.542 ( -3.805 2.039 -6.337) 7.668 29.744 ( 0.316 1.442 5.870) 6.053 29.915 ( 4.010 1.136 -0.707) 4.227 30.411 ( -8.514 -5.170 -0.424) 9.970 30.556 ( -0.249 -4.756 0.832) 4.835 31.434 ( -5.932 2.619 1.574) 6.673 31.703 ( 0.985 2.042 -0.250) 2.281 31.846 ( 1.409 -5.995 0.646) 6.192 31.975 ( 1.483 -6.670 -0.400) 6.845 32.088 ( -1.080 0.377 1.846) 2.172 32.286 ( -1.226 1.031 -3.804) 4.127 32.660 ( 8.008 -5.086 2.581) 9.832 32.677 ( 1.381 2.615 -1.445) 3.292 33.266 ( -5.754 -0.270 -0.587) 5.790 33.536 ( 6.719 4.278 0.960) 8.023 33.743 ( 2.198 4.951 2.800) 6.097 33.799 ( -2.988 1.410 2.745) 4.295 34.084 ( 1.272 0.233 1.386) 1.895 34.194 ( 0.113 3.473 -3.402) 4.863 34.611 ( -1.277 -3.548 3.700) 5.283 34.683 ( -0.254 -1.627 0.833) 1.845 35.204 ( -4.788 9.740 -0.337) 10.859 35.287 ( -0.386 10.211 0.658) 10.240 35.930 ( -6.535 -0.238 2.297) 6.931 36.248 ( 6.615 -0.881 1.171) 6.776 90.969 ( -0.146 1.985 1.044) 2.248 91.010 ( 0.620 2.436 -0.111) 2.516 91.591 ( 0.733 -4.559 -8.088) 9.314 91.681 ( -1.000 -4.874 -7.802) 9.254 93.648 ( 0.402 4.502 1.120) 4.657 93.669 ( -0.446 4.220 -0.825) 4.323 94.198 ( -1.380 -1.210 -0.135) 1.840 94.477 ( 5.757 -0.385 -2.414) 6.255 94.935 ( -3.468 -4.504 -7.573) 9.469 95.377 ( 7.328 -9.982 -30.603) 33.014 96.192 ( -28.069 -19.649 6.708) 34.913 96.918 ( 23.133 -26.188 8.771) 36.026 97.902 ( 0.007 1.076 0.553) 1.210 97.976 ( 1.043 0.299 -1.652) 1.977 98.777 ( -2.498 14.484 2.163) 14.856 99.086 ( 11.422 6.278 -0.537) 13.044 102.421 ( 0.283 1.337 0.478) 1.448 102.433 ( -0.348 1.307 -0.576) 1.470 102.772 ( -3.552 3.787 0.213) 5.196 102.893 ( 3.556 2.264 0.357) 4.231 107.579 ( 0.117 0.060 0.648) 0.661 107.602 ( -0.221 0.019 -0.561) 0.604 107.834 ( -1.732 -3.260 0.986) 3.821 107.869 ( -0.932 -2.782 -0.075) 2.935 ======================= Grid point 121 (53/126) ======================= q-point: (-0.25 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -16.228 28.772 -18.340) 37.782 2.044 ( -21.066 26.043 -7.183) 34.258 2.654 ( -16.333 20.533 4.727) 26.660 3.329 ( 40.839 19.847 -10.684) 46.646 3.785 ( -38.731 57.126 5.850) 69.265 4.078 ( -22.140 47.993 -7.006) 53.316 4.330 ( 14.201 29.311 4.454) 32.873 4.681 ( 23.953 25.261 -2.097) 34.875 5.369 ( 15.234 -5.066 3.657) 16.465 5.552 ( -4.944 -1.500 15.896) 16.715 5.810 ( 15.674 3.088 0.215) 15.977 6.038 ( -11.870 -6.834 -0.462) 13.705 6.357 ( 18.017 -5.790 0.262) 18.926 6.735 ( -4.910 -9.084 -1.293) 10.406 6.928 ( -5.140 -7.486 -4.023) 9.932 6.989 ( 7.128 -8.433 -2.783) 11.387 7.107 ( 4.640 -14.078 -0.564) 14.834 7.350 ( 7.930 0.022 0.975) 7.990 7.460 ( -4.431 -6.865 1.004) 8.233 7.648 ( 4.490 -6.281 0.833) 7.766 7.877 ( 11.841 3.933 3.279) 12.901 7.936 ( 0.128 -4.966 2.585) 5.599 8.083 ( 3.786 10.093 -3.948) 11.480 8.159 ( -0.262 -3.205 0.244) 3.225 8.293 ( -14.109 -11.432 -4.247) 18.649 8.435 ( -14.733 -8.114 -1.364) 16.875 8.511 ( -14.242 -7.488 3.049) 16.377 8.672 ( -11.048 -8.111 2.301) 13.897 8.717 ( 3.676 1.891 0.492) 4.163 8.893 ( -9.303 -8.917 0.853) 12.915 9.112 ( -2.258 -5.996 5.115) 8.199 9.295 ( -1.714 -6.684 -6.867) 9.734 9.586 ( -0.951 1.023 3.337) 3.618 9.648 ( 1.193 -6.463 -4.183) 7.790 10.300 ( -0.019 -3.508 0.694) 3.576 10.404 ( 8.124 5.010 -3.522) 10.174 10.482 ( -2.198 -0.233 -1.247) 2.538 10.696 ( 4.315 -4.593 1.022) 6.385 10.772 ( 3.104 -0.865 1.465) 3.539 10.922 ( -4.177 0.132 4.454) 6.108 10.960 ( 8.033 -0.491 -0.633) 8.073 11.214 ( 0.466 -1.573 -4.009) 4.332 11.319 ( -2.608 6.744 0.575) 7.254 11.361 ( -6.872 13.017 1.155) 14.765 11.551 ( 3.566 -19.137 -1.470) 19.522 11.570 ( -5.951 4.451 1.123) 7.516 11.628 ( -0.919 -4.752 -0.406) 4.857 11.721 ( -1.869 -12.805 1.245) 13.000 11.732 ( -1.339 -5.862 -2.763) 6.617 11.988 ( -1.426 -6.838 1.289) 7.103 12.080 ( 3.878 -2.787 0.849) 4.851 12.232 ( -0.582 6.600 -6.122) 9.021 12.287 ( -3.311 -5.708 -4.427) 7.946 12.536 ( 2.234 -5.882 4.319) 7.632 12.751 ( 5.296 2.614 -1.768) 6.164 12.845 ( 16.643 5.652 3.218) 17.869 12.938 ( 7.769 4.983 -8.057) 12.251 13.083 ( -1.197 15.175 3.217) 15.558 13.330 ( 0.823 12.717 -1.363) 12.816 13.417 ( -1.172 11.019 -4.556) 11.982 13.484 ( -5.229 1.534 10.191) 11.557 13.831 ( -7.049 5.708 -0.435) 9.081 14.164 ( -5.113 6.836 1.205) 8.621 14.439 ( 10.944 5.875 -6.240) 13.900 14.531 ( -7.304 6.229 8.369) 12.736 14.668 ( 6.866 5.941 -0.910) 9.126 14.743 ( 4.841 -1.648 3.771) 6.354 14.832 ( 3.827 -4.232 1.308) 5.854 15.058 ( 0.208 0.606 3.452) 3.511 15.200 ( -2.757 -4.482 0.958) 5.349 15.367 ( 5.276 0.402 -3.610) 6.406 15.591 ( 1.354 -4.629 1.623) 5.089 15.633 ( -4.416 -0.853 0.838) 4.575 15.807 ( 2.768 1.863 3.582) 4.895 15.870 ( 7.743 5.217 -3.927) 10.128 16.005 ( -5.604 -4.166 0.182) 6.985 16.118 ( 1.274 -1.897 -4.588) 5.125 16.200 ( 2.290 -2.882 -0.188) 3.686 16.266 ( -2.506 -0.130 1.007) 2.704 16.519 ( -1.644 -7.056 -6.522) 9.748 16.654 ( -3.118 2.194 -1.845) 4.236 16.815 ( 0.124 2.103 -1.386) 2.522 17.118 ( -12.984 -5.440 2.265) 14.259 17.299 ( -7.582 -4.714 9.271) 12.871 17.729 ( -5.014 -3.707 -2.542) 6.733 17.799 ( -0.494 -6.036 -2.104) 6.412 17.948 ( -4.219 -6.590 -0.582) 7.846 18.276 ( 7.074 -5.443 1.492) 9.050 18.623 ( -3.323 5.955 3.410) 7.624 18.717 ( -4.882 0.869 -0.178) 4.962 18.937 ( 1.151 9.966 -1.973) 10.224 19.033 ( 8.058 8.205 8.022) 14.021 19.492 ( 1.992 -1.271 -2.031) 3.116 19.528 ( 2.895 -0.882 1.161) 3.241 20.084 ( -9.402 -12.083 -11.132) 18.929 20.346 ( 1.373 -12.544 0.979) 12.657 20.823 ( -10.319 0.974 -11.278) 15.317 21.002 ( -5.833 5.239 -2.857) 8.345 21.198 ( 5.754 4.134 5.729) 9.111 21.809 ( 17.074 -14.738 12.176) 25.632 23.769 ( -1.512 5.923 -0.104) 6.113 24.044 ( 6.958 -6.076 -0.667) 9.262 24.367 ( -2.682 3.251 5.944) 7.286 24.628 ( -3.514 7.635 10.692) 13.600 24.835 ( 3.877 -4.556 0.188) 5.985 25.056 ( -1.318 7.119 -13.232) 15.083 25.080 ( 0.181 -1.622 -0.093) 1.635 25.337 ( 3.979 1.646 -11.306) 12.098 25.502 ( -0.617 0.104 -3.660) 3.713 25.747 ( 1.793 -1.014 1.248) 2.408 26.246 ( -2.075 6.418 0.997) 6.818 26.419 ( -1.810 4.878 2.041) 5.589 27.271 ( 5.354 0.484 0.850) 5.443 27.511 ( 13.325 8.402 -5.691) 16.749 27.960 ( -2.716 3.279 -9.495) 10.406 28.102 ( 5.399 5.071 16.448) 18.039 28.880 ( -4.111 -2.339 -4.815) 6.749 29.013 ( 0.624 -3.273 2.386) 4.098 29.411 ( -4.105 3.265 -5.003) 7.249 29.518 ( 2.124 2.881 4.730) 5.932 29.803 ( 0.067 1.903 2.763) 3.356 29.945 ( 3.361 1.834 -3.295) 5.051 30.315 ( -6.065 -4.916 3.142) 8.415 30.526 ( -6.064 -3.851 0.371) 7.194 31.397 ( -0.765 2.762 1.799) 3.384 31.677 ( -1.849 0.215 -1.340) 2.293 31.817 ( -5.314 -4.285 -1.732) 7.043 31.993 ( 1.252 -5.774 0.211) 5.912 32.123 ( 2.988 -0.888 1.084) 3.301 32.250 ( 1.006 -1.035 -1.502) 2.083 32.700 ( 3.687 6.597 -0.592) 7.581 32.821 ( 9.421 -5.769 2.018) 11.230 33.191 ( -4.490 -3.640 0.055) 5.781 33.630 ( -0.011 4.164 3.616) 5.515 33.790 ( 2.868 3.677 -0.996) 4.768 33.813 ( 1.399 3.588 2.059) 4.367 34.085 ( -0.058 0.945 -3.061) 3.204 34.160 ( -0.379 0.961 -1.348) 1.698 34.617 ( -2.401 -4.251 1.575) 5.130 34.698 ( 1.558 -0.690 0.362) 1.742 35.109 ( -7.508 9.841 -0.646) 12.395 35.266 ( -2.692 10.828 -0.459) 11.167 35.865 ( -5.520 -0.038 1.909) 5.841 36.346 ( 5.606 -1.232 -0.333) 5.749 90.967 ( -0.425 1.931 0.068) 1.979 91.035 ( 1.484 2.145 0.482) 2.652 91.512 ( -0.744 -3.342 -2.660) 4.336 91.596 ( 0.031 -3.478 -3.977) 5.283 93.651 ( -0.371 4.220 -0.472) 4.262 93.673 ( 0.639 4.304 0.763) 4.418 94.192 ( -1.089 -1.286 1.945) 2.573 94.524 ( 8.108 -3.074 -5.869) 10.471 94.891 ( -0.998 1.051 4.062) 4.312 95.097 ( 1.370 -4.590 -19.254) 19.841 95.841 ( -25.376 -12.655 0.881) 28.370 97.289 ( 15.156 -30.547 4.365) 34.378 97.905 ( -0.218 1.016 0.059) 1.041 97.993 ( 2.871 0.315 0.100) 2.890 98.801 ( 3.716 14.627 0.781) 15.112 99.243 ( 10.274 0.436 -0.937) 10.325 102.420 ( -0.356 1.320 -0.478) 1.448 102.432 ( 0.318 1.395 0.511) 1.519 102.727 ( -2.305 4.596 -0.262) 5.149 102.945 ( 2.841 1.726 0.221) 3.332 107.588 ( -0.022 -0.007 0.442) 0.443 107.591 ( -0.235 0.085 -0.475) 0.537 107.807 ( -3.259 -3.243 0.668) 4.645 107.851 ( -1.310 -2.395 -0.075) 2.731 ======================= Grid point 122 (54/126) ======================= q-point: (-0.12 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -4.084 30.829 27.989) 41.838 1.858 ( 4.642 43.053 -3.067) 43.411 2.560 ( -3.708 31.028 0.427) 31.252 3.239 ( -37.463 61.791 4.476) 72.399 3.573 ( -24.984 56.109 -6.342) 61.746 3.858 ( 35.641 15.995 -0.852) 39.074 4.636 ( 13.352 40.382 2.334) 42.596 4.875 ( 6.733 30.956 -1.109) 31.699 5.373 ( -24.402 5.629 10.799) 27.272 5.799 ( 9.885 -5.439 -6.596) 13.069 5.929 ( 20.031 -13.971 0.788) 24.434 6.112 ( 18.735 -5.733 -1.880) 19.682 6.511 ( -6.099 -0.105 -10.100) 11.799 6.666 ( 15.227 -19.001 0.021) 24.349 6.876 ( 3.436 -12.453 -0.500) 12.928 7.085 ( 8.324 -8.649 0.043) 12.004 7.184 ( 5.610 -10.721 -1.651) 12.212 7.238 ( -13.642 -10.491 -0.990) 17.238 7.550 ( 3.962 -6.850 2.717) 8.367 7.617 ( -16.134 -14.166 -2.601) 21.628 7.743 ( -14.197 -21.988 2.284) 26.272 7.911 ( -13.117 -11.610 -7.140) 18.916 8.005 ( -15.606 -9.409 -1.053) 18.254 8.093 ( 5.741 3.431 1.778) 6.921 8.252 ( 4.080 1.281 2.192) 4.805 8.301 ( 1.938 -5.062 3.240) 6.315 8.443 ( -3.126 3.639 0.987) 4.898 8.570 ( -3.414 -4.556 -0.083) 5.694 8.815 ( 6.336 5.293 -1.422) 8.378 8.905 ( 10.231 5.922 -1.091) 11.871 9.081 ( -5.049 -2.806 -2.428) 6.266 9.232 ( -3.774 -5.041 1.666) 6.513 9.577 ( 3.089 -1.245 -1.347) 3.593 9.684 ( -0.883 -3.672 3.895) 5.425 10.284 ( -3.310 4.534 1.608) 5.839 10.394 ( -7.687 5.037 1.173) 9.265 10.446 ( 5.360 0.758 -2.640) 6.023 10.718 ( -4.857 1.852 2.022) 5.578 10.767 ( 0.170 -9.607 0.405) 9.617 10.847 ( -7.945 10.797 1.189) 13.458 11.123 ( 3.530 6.003 3.678) 7.876 11.187 ( 4.351 -2.314 -2.649) 5.595 11.335 ( -0.056 12.224 1.419) 12.306 11.429 ( 7.284 -3.840 1.041) 8.300 11.484 ( -2.009 13.674 -0.750) 13.841 11.545 ( -4.117 -4.613 1.151) 6.289 11.649 ( 5.142 -9.022 -0.293) 10.389 11.710 ( 3.232 -18.565 -1.928) 18.943 11.746 ( -0.666 -8.177 0.022) 8.205 11.980 ( 0.189 -7.101 -0.379) 7.114 12.116 ( -1.581 -2.886 -4.517) 5.588 12.140 ( 1.742 -11.142 -0.357) 11.283 12.210 ( -0.817 -1.944 1.371) 2.515 12.543 ( -2.537 -13.660 -0.668) 13.909 12.842 ( 5.311 7.225 0.633) 8.989 12.955 ( 2.941 6.335 -4.383) 8.246 13.079 ( 0.905 13.127 -0.541) 13.169 13.120 ( 9.946 3.003 7.669) 12.914 13.298 ( -1.810 7.136 -8.403) 11.171 13.325 ( 3.716 10.501 -2.939) 11.520 13.589 ( 2.000 6.621 6.315) 9.366 13.665 ( -11.538 5.371 -2.107) 12.900 14.097 ( -3.060 12.392 -2.947) 13.100 14.439 ( -8.934 5.592 3.847) 11.220 14.564 ( 9.602 0.373 -5.439) 11.042 14.737 ( 4.680 5.081 -2.014) 7.195 14.852 ( 2.954 -0.199 3.369) 4.485 14.918 ( 4.483 -2.853 0.762) 5.369 15.092 ( -4.063 -0.972 4.320) 6.010 15.189 ( 0.968 -5.146 2.002) 5.606 15.364 ( -2.708 -2.176 0.708) 3.545 15.566 ( -1.834 0.408 -3.529) 3.998 15.664 ( 4.156 -0.693 0.475) 4.240 15.845 ( 0.156 0.725 -1.644) 1.803 15.909 ( 6.677 2.882 -5.983) 9.417 15.975 ( 2.353 -2.562 1.390) 3.746 16.155 ( 2.131 -0.214 1.382) 2.549 16.211 ( -2.154 -0.784 1.613) 2.803 16.283 ( 2.523 -1.747 4.089) 5.113 16.377 ( -4.960 -8.379 -5.642) 11.253 16.592 ( -6.071 3.417 2.707) 7.474 16.802 ( 1.684 2.679 1.776) 3.629 16.934 ( -7.553 -2.011 -4.025) 8.791 17.327 ( -10.342 -9.618 2.532) 14.349 17.678 ( -1.428 -5.104 3.618) 6.417 17.838 ( -0.319 -6.922 10.136) 12.279 17.892 ( -4.013 -8.017 0.841) 9.005 18.361 ( 4.645 -1.994 -1.921) 5.407 18.600 ( -4.342 4.116 1.057) 6.075 18.647 ( -2.827 2.107 -0.940) 3.649 18.920 ( 1.079 8.947 -2.717) 9.412 19.364 ( 12.865 -0.457 8.423) 15.383 19.531 ( 4.444 -0.771 4.693) 6.509 19.592 ( 4.243 0.212 3.605) 5.572 19.685 ( -16.678 -1.121 -15.233) 22.615 20.357 ( -0.594 -11.722 0.506) 11.748 20.629 ( -1.529 -1.499 -3.938) 4.482 20.910 ( -0.152 9.122 -3.852) 9.903 21.302 ( 0.900 4.904 0.903) 5.067 22.048 ( 5.850 -16.736 -1.878) 17.828 23.759 ( -0.255 6.550 0.344) 6.564 24.119 ( 6.558 -11.499 -2.668) 13.504 24.379 ( -2.867 5.879 -3.569) 7.451 24.540 ( -1.934 3.464 -17.006) 17.463 24.770 ( -2.856 8.560 11.006) 14.233 25.010 ( 6.007 -3.007 0.440) 6.732 25.125 ( 1.752 2.969 -5.674) 6.639 25.306 ( -0.261 -0.155 -3.053) 3.069 25.607 ( 4.205 -0.100 17.129) 17.638 25.702 ( -2.644 -2.917 -3.460) 5.241 26.352 ( 0.176 5.038 7.538) 9.068 26.375 ( -1.737 9.650 0.704) 9.831 27.345 ( 3.514 -4.391 -1.989) 5.965 27.585 ( 3.060 -3.031 0.935) 4.408 27.950 ( 13.288 11.956 -5.859) 18.811 28.267 ( -2.657 5.740 -1.142) 6.428 28.766 ( 1.641 1.632 3.306) 4.035 29.071 ( -3.963 -5.506 2.231) 7.141 29.327 ( -1.378 4.453 0.584) 4.698 29.583 ( -1.197 -2.000 3.343) 4.075 29.838 ( 1.867 3.345 0.335) 3.845 29.938 ( 2.989 1.661 -3.877) 5.169 30.296 ( -2.681 -2.995 1.656) 4.347 30.384 ( -10.000 -3.001 -3.657) 11.062 31.464 ( 4.578 -0.862 2.813) 5.442 31.644 ( -1.076 -0.817 -0.082) 1.354 31.687 ( -6.904 0.559 -2.166) 7.258 32.003 ( 0.417 -5.779 -1.474) 5.978 32.178 ( 2.167 -3.049 1.606) 4.071 32.268 ( 2.148 -2.744 0.227) 3.492 32.772 ( 5.486 8.798 1.193) 10.437 32.963 ( 6.748 -6.441 0.913) 9.373 33.127 ( -4.122 -5.499 -0.390) 6.884 33.560 ( -8.876 6.211 -4.821) 11.858 33.806 ( -2.736 1.245 2.710) 4.047 33.890 ( 9.407 5.032 -2.611) 10.983 34.036 ( 0.260 2.292 -3.650) 4.318 34.137 ( -0.441 2.281 -1.391) 2.708 34.603 ( -1.594 -3.429 1.537) 4.081 34.740 ( 4.949 -1.044 -1.056) 5.167 34.971 ( -8.735 12.066 -2.183) 15.055 35.201 ( -2.591 12.383 -3.304) 13.076 35.833 ( -3.465 0.036 3.747) 5.104 36.392 ( 3.341 -1.499 -2.740) 4.573 90.961 ( -0.111 1.936 -0.354) 1.971 91.052 ( 0.812 2.000 -0.472) 2.209 91.558 ( -0.545 -5.767 11.989) 13.315 91.587 ( 0.850 -3.272 1.552) 3.720 93.641 ( 0.006 3.978 -0.553) 4.016 93.684 ( 0.169 4.494 -0.285) 4.506 94.213 ( -1.527 -1.588 4.335) 4.863 94.607 ( 9.975 -5.115 -0.491) 11.221 94.860 ( -1.185 0.784 -4.069) 4.310 95.143 ( 2.706 -5.461 19.192) 20.136 95.537 ( -15.432 -7.041 2.539) 17.151 97.453 ( 4.938 -30.697 -0.913) 31.105 97.905 ( 0.264 1.962 0.122) 1.983 98.047 ( 1.832 -1.252 1.952) 2.955 98.909 ( 9.296 10.728 0.800) 14.218 99.331 ( 3.551 -4.785 -1.360) 6.112 102.412 ( -0.089 1.340 -0.168) 1.353 102.440 ( 0.011 1.296 0.251) 1.320 102.707 ( -0.027 5.623 0.097) 5.624 102.969 ( 1.202 1.179 -1.530) 2.275 107.582 ( -0.076 0.057 -0.358) 0.370 107.592 ( -0.185 -0.010 0.216) 0.284 107.762 ( -3.537 -1.745 0.555) 3.983 107.831 ( -0.896 -1.742 -0.463) 2.013 ======================= Grid point 123 (55/126) ======================= q-point: ( 0.00 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( -0.717 27.855 36.976) 46.300 2.968 ( 9.306 45.847 2.998) 46.878 3.202 ( -5.899 37.838 -4.442) 38.552 4.117 ( -5.890 50.502 1.574) 50.868 4.405 ( 4.219 46.158 -4.177) 46.538 4.519 ( 23.135 9.191 -5.129) 25.417 4.912 ( -25.558 -3.964 12.531) 28.739 5.570 ( -0.384 5.459 -17.146) 17.998 5.641 ( 4.822 34.084 1.380) 34.451 5.834 ( -6.848 2.670 2.783) 7.860 6.047 ( -18.781 17.620 -1.871) 25.821 6.114 ( 22.236 -6.098 0.492) 23.063 6.289 ( 5.017 -8.862 -5.104) 11.391 6.469 ( -6.107 -14.176 0.877) 15.461 6.576 ( 5.749 -22.875 -1.032) 23.608 6.728 ( -4.197 -21.809 -5.378) 22.851 6.795 ( 1.721 -5.041 -1.026) 5.425 7.021 ( 5.554 -9.436 -1.047) 10.999 7.080 ( 2.079 -11.880 -0.814) 12.088 7.208 ( -1.388 -4.844 -0.219) 5.044 7.350 ( -7.104 -12.656 6.479) 15.894 7.623 ( -2.886 -0.815 -2.996) 4.239 7.901 ( 6.255 1.932 -6.673) 9.348 8.060 ( -2.752 -0.380 -7.766) 8.248 8.320 ( -0.546 -0.129 0.912) 1.070 8.398 ( 1.065 -0.361 5.954) 6.059 8.461 ( 0.683 0.502 -2.429) 2.573 8.550 ( -3.591 0.370 2.220) 4.238 8.924 ( -4.647 -2.344 -3.671) 6.369 8.938 ( 4.822 1.123 -3.414) 6.014 9.086 ( -3.778 -1.746 3.194) 5.246 9.242 ( 5.020 3.395 3.487) 6.992 9.630 ( -0.959 -0.821 1.870) 2.256 9.636 ( 1.522 -3.432 3.052) 4.838 10.051 ( 0.758 -30.802 1.677) 30.857 10.145 ( 1.598 -27.590 -0.816) 27.649 10.565 ( 2.339 11.868 0.723) 12.118 10.629 ( -2.824 5.117 1.504) 6.035 10.863 ( 5.315 1.050 1.550) 5.635 10.923 ( -5.879 4.017 3.196) 7.804 11.161 ( 5.202 -4.921 -2.401) 7.552 11.241 ( 0.707 -6.927 -2.505) 7.400 11.261 ( -2.956 -10.475 -0.918) 10.923 11.322 ( 1.049 -6.596 -1.646) 6.879 11.385 ( -8.873 -10.214 2.998) 13.858 11.492 ( 1.548 0.464 3.402) 3.766 11.504 ( 0.339 0.235 2.329) 2.366 11.727 ( 1.456 1.511 3.784) 4.327 11.788 ( 0.672 -2.751 3.992) 4.895 12.027 ( -7.290 13.912 -0.650) 15.719 12.060 ( 5.739 7.128 -1.372) 9.253 12.182 ( 9.489 7.010 0.126) 11.798 12.217 ( 0.814 0.270 1.570) 1.788 12.293 ( -4.172 -5.892 -0.086) 7.220 12.904 ( -1.787 -1.327 -3.323) 4.000 12.947 ( -5.420 3.033 -9.066) 10.990 13.246 ( 2.394 6.140 0.939) 6.657 13.277 ( -2.187 6.197 -3.498) 7.445 13.436 ( -0.563 7.647 1.992) 7.922 13.633 ( 7.864 9.568 -4.432) 13.154 13.762 ( 1.946 12.653 1.860) 12.936 13.783 ( -3.682 11.437 1.510) 12.110 14.217 ( -1.494 6.203 -4.272) 7.679 14.388 ( 1.326 -1.538 -6.878) 7.171 14.604 ( 3.949 0.379 -2.471) 4.674 14.769 ( -5.778 0.628 1.864) 6.104 14.820 ( -4.654 -3.301 -1.184) 5.827 14.959 ( 6.593 -1.388 -1.870) 6.992 15.045 ( -5.780 3.672 1.941) 7.118 15.200 ( -0.555 -3.551 5.563) 6.623 15.307 ( -5.111 1.360 0.165) 5.291 15.518 ( 4.209 -0.776 -6.026) 7.391 15.732 ( -3.618 -1.427 1.477) 4.160 15.788 ( 1.878 -2.690 0.640) 3.343 15.894 ( 1.552 -0.506 1.748) 2.392 16.019 ( 5.863 -2.723 -1.271) 6.588 16.081 ( 5.543 -4.331 -9.624) 11.921 16.209 ( -0.939 -3.022 1.638) 3.564 16.245 ( 1.017 -1.616 4.593) 4.974 16.410 ( -0.283 6.872 1.024) 6.953 16.648 ( -1.775 0.162 3.317) 3.766 16.774 ( -3.265 -2.397 -1.852) 4.454 16.908 ( 4.492 -2.704 5.304) 7.458 17.061 ( -5.578 -1.848 2.470) 6.375 17.541 ( -1.137 -8.767 2.884) 9.299 17.689 ( -0.008 -9.336 3.924) 10.127 17.849 ( 1.313 -8.290 10.592) 13.514 18.270 ( -0.109 -9.014 -3.061) 9.520 18.643 ( -0.326 7.001 -0.118) 7.010 18.733 ( -1.059 6.862 -1.112) 7.032 19.083 ( 2.024 7.773 -1.786) 8.228 19.268 ( -8.592 2.949 -9.112) 12.867 19.501 ( -0.101 -2.859 0.023) 2.861 19.557 ( -1.494 -0.795 -1.078) 2.006 19.802 ( 8.591 -6.308 10.740) 15.130 20.073 ( 0.126 -13.996 1.328) 14.060 20.699 ( 6.709 2.964 1.822) 7.557 21.080 ( 2.083 8.693 -4.408) 9.967 21.325 ( -3.827 1.766 -5.899) 7.250 21.567 ( -5.642 -16.793 -11.183) 20.950 23.832 ( -1.044 0.696 -1.967) 2.333 23.952 ( 2.212 -4.510 0.261) 5.030 24.348 ( -3.156 8.449 -11.179) 14.363 24.518 ( 2.011 5.649 -10.265) 11.889 24.921 ( -5.873 -2.645 2.058) 6.762 25.005 ( 1.958 -1.431 -2.549) 3.518 25.236 ( 8.861 2.862 4.108) 10.178 25.432 ( 1.659 9.148 11.976) 15.161 25.565 ( -0.398 -3.637 -1.223) 3.858 25.882 ( 0.527 -0.931 18.553) 18.584 26.463 ( -5.618 9.442 0.882) 11.022 26.617 ( -1.466 4.678 6.880) 8.448 27.170 ( 1.165 -1.534 -9.197) 9.397 27.625 ( 6.238 -5.388 5.169) 9.730 28.178 ( -0.830 6.597 -6.162) 9.066 28.248 ( -4.430 6.388 -5.463) 9.501 28.932 ( -5.046 -0.143 3.745) 6.285 29.019 ( 5.416 0.189 9.381) 10.834 29.446 ( 2.738 3.782 3.043) 5.573 29.553 ( -1.368 -0.350 2.875) 3.203 29.824 ( -0.663 -1.442 -6.489) 6.680 29.928 ( 0.687 -2.247 -1.042) 2.570 30.161 ( -4.359 -2.786 -4.881) 7.112 30.248 ( 2.774 -2.015 -2.524) 4.257 31.476 ( -0.851 -1.357 2.117) 2.655 31.574 ( -0.892 -1.280 1.390) 2.090 31.695 ( 0.651 -2.155 -0.192) 2.260 31.847 ( 0.421 -4.919 -3.725) 6.185 32.191 ( 0.655 -0.340 3.312) 3.393 32.291 ( 0.486 3.243 0.639) 3.341 32.848 ( -0.817 -9.343 0.294) 9.383 32.922 ( 1.752 -7.494 -1.295) 7.804 33.118 ( -2.369 15.122 2.518) 15.512 33.561 ( -0.507 10.058 -8.972) 13.488 33.848 ( -2.147 1.841 2.519) 3.788 33.991 ( 1.653 -0.802 -0.449) 1.892 34.086 ( 2.754 3.663 0.636) 4.627 34.203 ( -0.720 4.413 -1.279) 4.651 34.522 ( -1.376 -4.664 1.888) 5.216 34.672 ( 1.859 -6.840 -1.431) 7.231 35.219 ( -0.738 17.028 -0.147) 17.044 35.408 ( 1.644 13.846 -4.519) 14.658 35.846 ( -1.869 -1.058 4.984) 5.427 36.310 ( 0.785 -4.712 -5.160) 7.032 91.019 ( 0.132 3.878 0.631) 3.932 91.098 ( -0.240 3.479 -1.075) 3.649 91.536 ( -0.659 -8.336 8.370) 11.832 91.554 ( 1.027 -5.694 4.136) 7.112 93.740 ( 0.663 5.810 0.346) 5.858 93.790 ( -0.574 7.403 -1.156) 7.514 94.203 ( -2.131 -3.258 5.500) 6.739 94.566 ( 4.090 -8.806 0.059) 9.709 94.834 ( 0.434 0.658 -2.012) 2.161 95.107 ( -1.142 -5.666 -0.926) 5.854 95.505 ( 1.126 -9.048 21.686) 23.525 96.721 ( -1.127 -36.924 -6.913) 37.582 97.970 ( -0.136 2.786 1.501) 3.168 98.065 ( -0.153 0.038 1.157) 1.168 99.122 ( -0.828 5.123 0.175) 5.193 99.270 ( 1.004 -0.677 -1.906) 2.258 102.443 ( 0.319 1.427 0.186) 1.474 102.461 ( -0.368 1.139 -0.200) 1.213 102.830 ( 0.273 4.577 1.125) 4.721 102.965 ( -0.143 0.678 -1.876) 2.000 107.582 ( 0.134 0.070 -0.012) 0.152 107.588 ( -0.227 0.009 -0.110) 0.252 107.735 ( -0.201 -0.126 0.601) 0.646 107.789 ( 0.187 -1.419 -0.569) 1.540 ======================= Grid point 124 (56/126) ======================= q-point: ( 0.12 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( -16.685 26.711 12.579) 33.913 3.091 ( -7.254 37.251 3.455) 38.107 3.121 ( 0.268 26.626 27.262) 38.108 4.261 ( 24.054 43.634 -6.684) 50.271 4.529 ( 10.099 25.724 -12.660) 30.397 4.607 ( -10.173 14.656 5.247) 18.596 4.780 ( 5.129 16.016 1.237) 16.862 5.223 ( -26.568 9.498 -5.040) 28.661 5.425 ( -34.435 -2.887 0.701) 34.563 5.635 ( 0.693 0.004 0.790) 1.051 5.821 ( -11.662 27.498 -4.684) 30.234 6.092 ( -8.263 10.700 -4.529) 14.258 6.242 ( -8.253 -0.033 -5.564) 9.953 6.481 ( 10.635 -1.402 -5.667) 12.132 6.772 ( 13.053 -13.211 3.243) 18.853 6.882 ( 16.248 -11.686 -0.319) 20.017 6.992 ( 1.534 -2.428 0.309) 2.888 7.105 ( 12.665 -18.240 2.437) 22.339 7.180 ( 11.697 -16.072 0.216) 19.879 7.229 ( 24.406 -18.313 1.527) 30.551 7.358 ( -4.734 -5.078 -1.615) 7.128 7.666 ( 11.927 -2.172 3.296) 12.563 7.902 ( -1.411 0.113 -8.994) 9.105 7.934 ( 8.405 -0.795 -8.069) 11.678 8.287 ( -2.930 0.835 0.721) 3.131 8.420 ( -2.278 -0.326 0.251) 2.315 8.516 ( 1.309 1.786 2.146) 3.084 8.554 ( 2.136 -3.081 3.290) 4.987 8.780 ( -8.399 -1.455 -1.518) 8.658 8.924 ( -3.335 -4.188 -1.286) 5.505 9.003 ( -11.772 7.910 1.883) 14.307 9.343 ( 2.896 -1.991 1.471) 3.810 9.586 ( -6.116 0.200 0.733) 6.163 9.694 ( 0.697 -4.667 2.826) 5.500 10.057 ( -1.194 -29.173 0.351) 29.199 10.181 ( 3.515 -28.807 -0.690) 29.029 10.547 ( -2.135 1.526 -0.141) 2.628 10.650 ( -3.397 7.076 0.734) 7.884 10.891 ( -4.985 -1.633 2.879) 5.984 10.946 ( -0.726 1.034 2.753) 3.029 11.039 ( -10.348 -6.114 2.259) 12.230 11.177 ( -1.481 1.539 -6.049) 6.415 11.255 ( -5.024 -10.799 -1.639) 12.022 11.289 ( -2.684 -14.672 2.111) 15.064 11.389 ( 9.600 1.385 -2.242) 9.955 11.523 ( 3.182 -3.599 2.078) 5.234 11.629 ( 2.097 8.324 8.057) 11.772 11.664 ( -8.044 -4.123 2.900) 9.493 11.906 ( -7.315 7.689 0.935) 10.654 11.941 ( 6.866 0.018 6.075) 9.168 12.103 ( -3.780 1.245 -2.215) 4.555 12.244 ( 10.955 1.023 -4.822) 12.013 12.291 ( 5.631 5.867 1.098) 8.206 12.403 ( 14.425 5.971 -1.861) 15.722 12.759 ( -7.046 0.905 -3.975) 8.140 12.824 ( -3.130 0.165 -2.316) 3.897 13.187 ( -0.797 10.781 -4.014) 11.532 13.309 ( 1.158 3.834 1.351) 4.227 13.411 ( -2.322 7.445 -0.822) 7.842 13.648 ( -1.903 4.648 -5.018) 7.100 13.733 ( 0.442 11.890 2.553) 12.169 13.880 ( 6.361 17.490 1.053) 18.640 14.131 ( -2.699 5.047 -3.469) 6.692 14.323 ( 1.335 -1.653 -6.895) 7.215 14.627 ( -2.007 6.692 -3.429) 7.782 14.656 ( -1.727 -3.674 -1.038) 4.191 14.772 ( -2.227 -4.160 0.781) 4.783 14.965 ( -7.145 0.758 2.513) 7.612 15.007 ( 2.386 5.894 -2.267) 6.751 15.198 ( -9.171 -2.001 4.525) 10.420 15.290 ( 5.082 -4.411 -0.569) 6.753 15.534 ( -2.410 -3.638 1.315) 4.557 15.682 ( 1.805 -1.168 -1.763) 2.780 15.821 ( -1.462 0.868 2.511) 3.033 15.899 ( 0.503 -3.874 -1.710) 4.265 16.065 ( 6.219 -3.223 -8.831) 11.271 16.093 ( 1.607 1.457 2.432) 3.259 16.243 ( -0.414 -3.593 4.814) 6.022 16.256 ( -1.865 0.083 -2.536) 3.148 16.449 ( 2.153 0.745 3.200) 3.928 16.591 ( -3.403 -8.481 -2.076) 9.371 16.798 ( 2.522 0.145 5.486) 6.039 16.948 ( -3.822 -2.683 2.398) 5.250 17.179 ( 12.919 -2.081 2.696) 13.360 17.575 ( 1.281 -4.062 2.337) 4.858 17.772 ( 3.495 -8.361 3.301) 9.644 17.965 ( -0.988 -8.613 6.682) 10.946 18.214 ( -2.554 -6.922 0.243) 7.383 18.652 ( 0.288 6.667 -0.079) 6.673 18.708 ( 1.249 6.437 -1.919) 6.832 19.052 ( -5.676 6.431 -5.985) 10.459 19.118 ( 3.662 7.435 0.274) 8.293 19.511 ( -2.249 -2.163 -0.859) 3.236 19.533 ( 1.440 -3.652 2.045) 4.426 19.998 ( 2.938 -10.502 5.815) 12.359 20.084 ( -0.076 -11.459 -0.006) 11.460 20.850 ( 5.136 -1.408 1.601) 5.561 21.035 ( 0.415 -0.956 -8.518) 8.582 21.200 ( -1.872 2.185 -1.625) 3.305 21.283 ( -9.196 -5.240 -10.817) 15.134 23.801 ( -1.056 0.212 -0.509) 1.191 23.959 ( 0.793 -1.424 -2.884) 3.313 24.233 ( -0.149 6.057 -3.741) 7.120 24.398 ( 0.214 5.148 -9.905) 11.165 24.844 ( -6.934 -1.720 1.377) 7.276 25.009 ( 0.018 -1.594 0.547) 1.685 25.379 ( 4.501 1.443 0.080) 4.727 25.429 ( 2.623 2.350 -4.089) 5.396 25.840 ( 7.771 3.663 20.818) 22.521 26.003 ( -6.519 1.886 6.324) 9.276 26.461 ( 1.231 5.823 5.042) 7.800 26.563 ( -7.918 5.355 -0.862) 9.597 27.182 ( 6.351 1.952 2.605) 7.137 27.686 ( 2.339 -4.066 -10.401) 11.410 28.079 ( -6.995 5.165 0.358) 8.703 28.133 ( -3.734 5.851 -1.167) 7.038 28.897 ( -5.017 1.459 6.169) 8.084 29.194 ( 1.849 -2.197 8.362) 8.841 29.481 ( 0.790 2.979 -4.058) 5.095 29.619 ( 1.592 3.160 5.475) 6.519 29.684 ( -4.690 0.765 -7.974) 9.283 29.987 ( 6.294 -2.735 3.549) 7.726 30.069 ( 0.626 -3.248 -4.746) 5.785 30.269 ( 6.291 -4.435 -4.419) 8.875 31.474 ( -2.480 1.630 2.185) 3.685 31.609 ( 2.105 -1.963 1.904) 3.451 31.710 ( 2.275 -4.951 -1.578) 5.673 31.818 ( 1.867 -3.545 -2.792) 4.884 32.217 ( -3.510 -0.502 2.379) 4.270 32.306 ( 0.999 1.650 0.817) 2.095 32.784 ( -7.693 -7.489 0.185) 10.738 32.871 ( -5.539 -5.019 -1.024) 7.544 33.177 ( 4.253 12.353 3.630) 13.560 33.483 ( 5.109 9.955 -8.455) 14.024 33.836 ( -3.477 2.922 1.923) 4.932 33.991 ( -0.863 0.933 -0.133) 1.278 34.109 ( -1.568 3.150 -0.829) 3.615 34.209 ( 4.364 3.549 0.126) 5.626 34.516 ( -2.451 -4.746 1.270) 5.490 34.662 ( -0.454 -4.573 -1.416) 4.809 35.247 ( 4.104 14.568 0.354) 15.139 35.394 ( 4.545 14.741 -4.466) 16.059 35.897 ( -1.523 -1.973 6.331) 6.804 36.233 ( -0.694 -4.338 -6.615) 7.941 91.031 ( -0.245 4.259 0.835) 4.347 91.078 ( -0.191 3.861 -0.877) 3.964 91.613 ( -0.939 -9.009 5.264) 10.476 91.627 ( 1.049 -7.440 4.331) 8.672 93.758 ( -0.102 6.158 -0.234) 6.163 93.767 ( 0.547 7.657 -0.165) 7.678 94.238 ( -3.056 -3.553 5.545) 7.260 94.566 ( -0.741 -4.719 -3.452) 5.894 94.871 ( 2.532 -3.404 5.101) 6.634 95.112 ( 7.747 -9.938 -6.139) 14.016 95.824 ( -1.760 -19.398 25.813) 32.337 96.540 ( -6.978 -33.569 -12.272) 36.416 97.988 ( -0.857 2.768 2.358) 3.736 98.062 ( -1.323 0.925 0.103) 1.618 99.071 ( -5.355 6.392 0.240) 8.342 99.263 ( 0.513 -0.975 -1.964) 2.252 102.451 ( -0.268 1.324 -0.221) 1.369 102.455 ( 0.470 1.280 0.244) 1.385 102.839 ( -1.090 4.452 0.964) 4.684 102.944 ( 0.705 1.262 -1.650) 2.193 107.578 ( -0.331 0.192 -0.228) 0.446 107.592 ( 0.593 -0.087 0.118) 0.611 107.748 ( 0.718 -0.529 0.630) 1.092 107.789 ( 0.934 -1.451 -0.631) 1.837 ======================= Grid point 125 (57/126) ======================= q-point: ( 0.25 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( -2.497 15.962 1.083) 16.193 2.994 ( -3.333 27.893 1.597) 28.137 3.597 ( -0.003 11.460 27.777) 30.048 4.117 ( 4.348 16.881 -36.583) 40.524 4.309 ( -36.240 -17.543 10.032) 41.494 4.494 ( -28.175 11.799 -0.449) 30.549 4.873 ( -2.668 25.881 13.253) 29.199 5.089 ( -4.625 21.621 0.824) 22.126 5.161 ( 20.389 39.827 -2.782) 44.830 5.486 ( -8.102 19.094 -10.781) 23.376 5.749 ( 10.299 -9.209 1.521) 13.899 5.980 ( -1.582 30.594 -2.038) 30.702 6.207 ( 0.568 18.572 3.178) 18.851 6.531 ( 6.993 -9.934 -7.099) 14.071 6.792 ( -3.035 -10.646 1.145) 11.130 6.921 ( -2.603 -7.507 -6.498) 10.264 7.064 ( 2.233 -1.701 1.414) 3.143 7.199 ( 4.698 -2.519 4.639) 7.066 7.257 ( -4.710 -5.835 3.092) 8.111 7.551 ( 20.911 -9.331 0.095) 22.899 7.748 ( 8.762 -9.319 -3.490) 13.259 7.777 ( 14.896 -4.365 1.372) 15.583 7.939 ( 24.588 -8.143 1.272) 25.933 8.010 ( 9.519 -3.190 -1.405) 10.138 8.310 ( -1.831 2.565 0.219) 3.159 8.359 ( 4.848 -1.462 -1.526) 5.288 8.479 ( -6.670 0.621 -0.607) 6.727 8.656 ( 2.978 -4.834 2.993) 6.419 8.724 ( 2.082 0.704 -1.482) 2.651 8.752 ( -13.051 1.883 1.133) 13.235 8.909 ( -3.867 -0.560 1.165) 4.077 9.346 ( -1.738 -6.503 -1.817) 6.972 9.496 ( -5.751 0.234 -0.077) 5.756 9.724 ( -0.414 -7.081 1.156) 7.187 10.050 ( 0.321 -24.952 0.031) 24.954 10.204 ( 0.785 -28.536 -1.769) 28.602 10.372 ( -23.712 -8.683 -2.318) 25.358 10.571 ( -3.485 -9.378 0.753) 10.033 10.798 ( -11.982 -10.540 1.226) 16.005 10.869 ( -13.416 -3.187 1.602) 13.882 11.029 ( -1.722 5.663 2.921) 6.600 11.082 ( -0.544 -13.742 -0.536) 13.763 11.172 ( -0.049 -1.368 -4.423) 4.630 11.259 ( -4.633 -11.117 1.703) 12.164 11.514 ( 6.859 5.800 -2.006) 9.204 11.598 ( 4.364 -5.978 3.305) 8.106 11.640 ( 1.383 0.871 2.243) 2.775 11.822 ( -1.934 11.541 0.786) 11.728 11.856 ( 12.874 6.952 4.933) 15.440 12.031 ( 5.103 -5.013 -3.587) 8.002 12.121 ( 6.360 3.930 0.302) 7.482 12.240 ( 0.088 8.500 -2.645) 8.902 12.443 ( 6.412 6.834 2.716) 9.757 12.490 ( 4.729 6.412 -7.807) 11.155 12.650 ( -8.104 -0.940 3.589) 8.913 12.804 ( 0.286 6.182 1.677) 6.412 13.184 ( 3.831 10.380 0.760) 11.091 13.286 ( -5.543 4.872 1.505) 7.532 13.389 ( -2.056 13.339 -0.835) 13.523 13.548 ( 3.904 9.448 -5.561) 11.638 13.790 ( -1.072 7.531 3.406) 8.335 13.908 ( 2.236 13.496 -4.392) 14.368 14.118 ( 1.753 1.530 0.295) 2.345 14.241 ( -1.024 0.226 -4.960) 5.069 14.499 ( -4.212 -0.711 -2.820) 5.119 14.677 ( -4.703 2.257 2.781) 5.912 14.729 ( -4.531 -3.718 1.594) 6.075 14.934 ( -1.891 3.570 2.719) 4.870 14.993 ( -3.132 6.423 1.926) 7.401 15.166 ( -0.687 0.875 1.847) 2.156 15.319 ( -1.456 -7.622 -0.868) 7.809 15.506 ( 2.596 -3.518 0.127) 4.374 15.738 ( 6.131 -0.117 -1.903) 6.420 15.786 ( -5.753 -0.332 -2.461) 6.266 15.877 ( 0.369 0.478 -1.855) 1.951 16.011 ( -4.295 -5.635 -1.406) 7.224 16.094 ( 1.474 1.650 -3.270) 3.948 16.198 ( -2.529 -0.952 -0.405) 2.732 16.317 ( 1.656 -4.195 3.574) 5.754 16.458 ( -2.871 -5.618 3.118) 7.037 16.637 ( 8.930 -7.630 -2.105) 11.933 16.871 ( -0.947 -3.362 1.568) 3.828 16.957 ( 2.957 -1.990 1.732) 3.963 17.380 ( 10.727 -5.695 0.398) 12.151 17.640 ( 1.068 -2.875 4.520) 5.462 17.800 ( 3.370 -3.367 -5.439) 7.230 18.031 ( -1.407 -9.602 6.417) 11.634 18.235 ( 1.925 -9.657 2.357) 10.126 18.651 ( 0.280 6.110 0.495) 6.137 18.717 ( 1.462 3.496 -0.650) 3.844 18.955 ( -1.606 7.894 -1.277) 8.156 19.187 ( 2.005 4.628 2.496) 5.628 19.500 ( 1.279 0.212 1.331) 1.858 19.578 ( 1.323 -2.000 1.593) 2.879 20.009 ( -3.092 -8.184 -4.537) 9.855 20.078 ( -0.510 -13.270 -0.013) 13.280 20.687 ( -8.529 0.294 -11.599) 14.401 20.914 ( -5.568 2.343 -5.840) 8.402 21.208 ( 2.973 -8.062 5.015) 9.949 21.269 ( 2.999 2.382 4.951) 6.260 23.786 ( -1.292 0.790 0.730) 1.681 23.921 ( 0.209 1.085 -3.156) 3.344 24.208 ( -0.879 5.333 -0.790) 5.463 24.316 ( 1.510 3.961 -3.206) 5.315 24.777 ( -4.879 0.435 2.168) 5.357 24.988 ( -4.170 1.903 0.169) 4.587 25.382 ( 4.898 -0.369 -2.881) 5.694 25.509 ( 5.279 2.622 0.760) 5.943 25.823 ( -8.251 7.130 -7.337) 13.143 26.100 ( -4.934 -2.122 3.632) 6.484 26.591 ( 3.138 -0.487 12.228) 12.634 26.606 ( 9.250 11.107 9.493) 17.293 27.300 ( -0.006 -0.313 -2.796) 2.814 27.454 ( -2.696 1.359 -14.244) 14.560 27.987 ( -7.102 6.469 2.357) 9.891 28.106 ( -2.891 6.153 1.609) 6.986 28.949 ( -1.769 -0.213 7.295) 7.509 29.272 ( -3.010 -4.735 3.645) 6.690 29.416 ( 0.573 4.005 -5.670) 6.965 29.553 ( 0.708 0.822 -3.803) 3.954 29.701 ( 2.566 2.804 2.049) 4.318 29.956 ( -4.482 -1.128 -2.277) 5.152 30.232 ( 12.097 -4.061 3.681) 13.280 30.313 ( 5.890 -7.360 -2.327) 9.709 31.480 ( -0.023 2.897 1.915) 3.473 31.645 ( -0.001 -2.169 0.852) 2.330 31.738 ( 4.429 -2.243 -1.407) 5.160 31.823 ( 1.757 -5.017 -1.360) 5.487 32.162 ( -5.142 1.016 0.568) 5.272 32.328 ( 1.436 -0.676 -0.647) 1.714 32.657 ( -9.668 -4.300 0.621) 10.599 32.769 ( -6.625 -4.501 -0.506) 8.025 33.306 ( 5.046 8.729 5.206) 11.347 33.481 ( 6.237 8.233 -5.297) 11.608 33.791 ( -4.490 4.488 0.108) 6.349 33.965 ( -2.854 3.883 0.536) 4.849 34.068 ( -0.937 1.567 -1.520) 2.376 34.285 ( 4.503 3.364 0.248) 5.626 34.486 ( -2.747 -4.887 0.369) 5.618 34.638 ( -0.538 -3.276 -0.828) 3.422 35.325 ( 5.278 11.600 0.404) 12.751 35.426 ( 5.949 14.234 -2.775) 15.675 35.947 ( -2.840 -2.490 6.072) 7.151 36.143 ( -0.438 -3.238 -5.464) 6.366 91.020 ( -1.160 4.643 -0.371) 4.801 91.085 ( 0.776 3.945 0.602) 4.065 91.636 ( -1.009 -8.183 0.888) 8.292 91.685 ( 0.867 -9.040 2.129) 9.327 93.737 ( -0.537 6.627 -0.752) 6.691 93.795 ( 1.413 7.387 0.705) 7.554 94.248 ( -3.951 -3.758 3.820) 6.658 94.499 ( -1.290 -0.940 -3.494) 3.841 95.032 ( 6.057 -7.815 9.866) 13.968 95.139 ( 10.013 -15.087 -10.996) 21.185 96.038 ( -8.378 -23.342 15.473) 29.231 96.247 ( -8.805 -26.726 -10.903) 30.178 98.000 ( -1.594 2.626 1.847) 3.585 98.036 ( -1.194 1.986 -0.687) 2.416 99.006 ( -3.329 8.789 0.341) 9.405 99.222 ( -3.199 0.493 -1.261) 3.473 102.443 ( -0.204 1.495 -0.264) 1.532 102.467 ( 0.419 1.088 0.320) 1.209 102.832 ( -0.010 4.566 -0.122) 4.567 102.939 ( -0.228 1.352 -0.191) 1.385 107.572 ( -0.196 0.333 -0.111) 0.402 107.602 ( 0.539 -0.237 0.094) 0.596 107.767 ( 0.878 -1.102 0.457) 1.481 107.799 ( 1.334 -1.830 -0.439) 2.307 ======================= Grid point 126 (58/126) ======================= q-point: ( 0.38 0.30 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( 21.084 -2.044 -1.271) 21.221 3.074 ( 9.806 13.389 1.708) 16.684 3.443 ( -28.837 -8.597 -7.376) 30.983 3.712 ( 8.241 22.562 -38.700) 45.548 3.954 ( -36.237 0.443 3.093) 36.372 4.106 ( -21.603 -0.237 0.483) 21.610 4.860 ( -11.693 10.966 21.956) 27.186 5.140 ( -3.975 18.585 13.662) 23.406 5.465 ( 12.960 44.169 7.522) 46.641 5.571 ( 17.199 23.642 -1.895) 29.298 5.940 ( 12.947 14.398 -0.871) 19.383 5.977 ( 5.360 31.287 -0.616) 31.749 6.265 ( -1.562 23.149 4.233) 23.584 6.496 ( 3.827 -14.941 -8.640) 17.679 6.773 ( 0.135 -9.453 -5.547) 10.961 6.800 ( 0.457 -12.500 0.657) 12.526 7.141 ( 1.615 1.600 4.210) 4.784 7.239 ( 2.950 3.132 -1.061) 4.432 7.353 ( 2.003 -0.439 6.257) 6.584 7.514 ( -12.078 6.841 -3.239) 14.254 7.800 ( 0.614 -0.458 2.899) 2.999 7.923 ( -1.166 1.088 0.024) 1.594 8.078 ( 3.706 0.112 -1.440) 3.978 8.170 ( -1.047 0.211 -0.358) 1.127 8.320 ( -5.482 -1.447 2.257) 6.102 8.476 ( 12.291 -9.443 0.662) 15.514 8.546 ( -0.140 1.930 -1.826) 2.661 8.582 ( 11.639 -5.378 -1.972) 12.972 8.792 ( 8.918 -0.446 1.802) 9.109 8.832 ( 10.669 -7.166 4.017) 13.465 9.006 ( 21.043 -12.396 0.673) 24.432 9.282 ( -1.173 -12.418 -4.041) 13.112 9.428 ( -3.522 -1.759 -0.560) 3.977 9.699 ( -5.679 -7.524 -0.452) 9.438 9.897 ( -30.346 -16.346 -1.254) 34.491 10.036 ( -5.150 -18.863 -1.234) 19.592 10.194 ( -2.004 -21.979 -1.423) 22.116 10.460 ( -14.217 -12.036 1.197) 18.666 10.606 ( -8.992 -21.181 1.126) 23.038 10.752 ( -4.360 -21.006 0.587) 21.461 10.996 ( 0.937 2.377 -5.459) 6.027 11.080 ( -0.921 -8.070 -1.189) 8.208 11.185 ( 0.728 -3.884 1.230) 4.139 11.235 ( 0.154 -3.583 2.137) 4.175 11.485 ( -1.712 -2.880 -4.748) 5.811 11.669 ( -0.015 -0.971 -0.794) 1.254 11.754 ( 7.565 1.027 3.277) 8.308 11.829 ( 5.275 11.949 -0.202) 13.063 12.095 ( 7.348 -3.805 -1.464) 8.403 12.124 ( 1.768 6.777 -3.575) 7.864 12.161 ( 15.854 12.041 -0.384) 19.912 12.265 ( 3.329 4.404 0.975) 5.606 12.385 ( -0.347 10.170 -6.784) 12.229 12.519 ( -5.452 6.295 2.717) 8.759 12.604 ( -6.322 0.647 8.192) 10.368 12.802 ( -6.626 11.226 2.708) 13.314 13.113 ( -9.136 16.138 -2.370) 18.695 13.312 ( 9.771 14.519 2.733) 17.713 13.510 ( 12.263 4.629 3.729) 13.628 13.576 ( 0.916 15.339 -0.860) 15.390 13.761 ( -2.102 7.201 0.928) 7.559 13.890 ( -9.342 1.609 -0.689) 9.504 14.054 ( 3.723 5.527 -3.100) 7.350 14.293 ( 7.130 1.649 1.153) 7.408 14.449 ( -1.800 -0.952 0.539) 2.106 14.581 ( -10.307 -2.335 2.769) 10.925 14.685 ( -7.728 -1.519 3.430) 8.590 14.927 ( -1.101 6.619 1.363) 6.847 15.019 ( -0.777 -0.116 3.532) 3.618 15.127 ( -4.388 0.927 0.322) 4.496 15.387 ( 9.230 1.733 3.453) 10.006 15.536 ( 0.030 -2.751 -7.620) 8.101 15.649 ( -1.890 -2.353 -0.174) 3.023 15.774 ( -1.028 -2.836 -1.899) 3.564 15.851 ( -0.737 3.501 -1.854) 4.029 15.925 ( -2.130 -4.977 -2.085) 5.801 16.110 ( 2.369 -0.880 0.373) 2.555 16.187 ( 0.416 -2.815 1.750) 3.341 16.340 ( 0.206 -5.349 -2.073) 5.741 16.449 ( -1.656 -6.796 -0.914) 7.054 16.732 ( 5.399 -6.454 -0.614) 8.437 16.843 ( -1.254 -5.560 -1.864) 5.997 17.033 ( 3.649 -1.562 1.571) 4.269 17.494 ( 5.348 -6.107 0.062) 8.118 17.679 ( -1.784 -5.164 3.348) 6.408 17.812 ( 4.731 -2.834 -3.267) 6.410 18.045 ( -2.071 -7.896 -0.219) 8.166 18.251 ( 1.773 -15.818 -7.438) 17.570 18.666 ( 0.351 2.992 0.708) 3.094 18.745 ( 0.275 1.413 3.403) 3.694 18.953 ( -0.110 8.737 2.043) 8.974 19.204 ( -1.860 3.874 0.498) 4.326 19.549 ( 0.203 2.834 0.886) 2.976 19.616 ( 0.551 -0.292 -0.832) 1.039 19.874 ( 1.444 -3.376 -5.338) 6.479 20.068 ( -0.830 -14.938 0.686) 14.977 20.542 ( -0.539 3.889 0.417) 3.948 20.815 ( -3.622 7.976 2.579) 9.132 21.290 ( -0.393 -10.279 2.879) 10.682 21.364 ( -0.238 -1.205 5.161) 5.305 23.781 ( -0.956 1.820 1.316) 2.441 23.900 ( 0.341 1.402 -0.706) 1.606 24.209 ( 0.293 7.105 3.505) 7.927 24.349 ( 1.199 1.261 3.740) 4.125 24.757 ( -2.642 2.899 2.245) 4.520 24.904 ( -4.150 5.039 -2.422) 6.963 25.455 ( 7.371 0.033 -1.217) 7.471 25.564 ( 0.520 3.615 -0.144) 3.655 25.639 ( -0.880 5.606 -7.198) 9.166 26.006 ( -5.193 -2.316 -2.027) 6.037 26.666 ( -0.329 2.622 1.553) 3.065 26.943 ( -7.399 0.533 -26.709) 27.720 27.042 ( 14.119 3.556 19.452) 24.297 27.442 ( -2.413 3.127 3.330) 5.166 27.887 ( -5.654 9.333 -5.602) 12.266 28.111 ( -2.254 6.828 6.879) 9.951 28.958 ( -2.389 -2.216 -2.569) 4.150 29.195 ( -1.659 -5.104 -7.110) 8.908 29.427 ( 0.961 3.694 6.151) 7.239 29.590 ( 2.377 0.894 2.126) 3.312 29.745 ( 1.320 -2.497 1.155) 3.051 29.885 ( -1.094 3.843 -2.538) 4.733 30.326 ( 2.975 -7.712 -0.911) 8.316 30.430 ( 5.277 -6.748 1.440) 8.686 31.519 ( 1.238 2.925 2.314) 3.930 31.657 ( 2.016 0.878 -0.353) 2.227 31.768 ( 0.215 -1.942 -0.162) 1.961 31.821 ( 0.157 -4.856 -1.039) 4.968 32.122 ( -1.374 1.482 1.126) 2.313 32.335 ( 2.947 -2.219 -2.648) 4.541 32.537 ( -8.234 -2.489 1.299) 8.699 32.676 ( -4.940 -5.340 -0.710) 7.309 33.423 ( 2.546 5.224 3.507) 6.787 33.521 ( 3.295 7.324 -0.318) 8.038 33.728 ( -2.197 6.772 -0.569) 7.142 33.933 ( -2.805 5.052 0.968) 5.859 34.049 ( 0.323 0.971 -0.738) 1.262 34.329 ( 2.563 3.837 -1.797) 4.952 34.463 ( -1.517 -6.065 1.451) 6.418 34.627 ( 0.130 -3.259 -0.554) 3.308 35.395 ( 3.498 10.142 0.278) 10.732 35.480 ( 4.515 12.779 -1.404) 13.625 35.964 ( -3.952 -2.432 4.708) 6.610 36.101 ( 1.137 -2.086 -1.844) 3.008 91.005 ( -0.508 4.742 0.254) 4.775 91.096 ( 0.166 3.857 -0.256) 3.869 91.613 ( -0.452 -7.134 -2.635) 7.618 91.694 ( 0.079 -9.730 -1.918) 9.918 93.728 ( 0.017 6.322 -0.050) 6.323 93.815 ( 0.647 7.478 -0.290) 7.511 94.224 ( -3.586 -3.616 1.373) 5.274 94.456 ( 0.313 0.629 -2.015) 2.134 95.073 ( 4.771 -15.719 -14.596) 21.975 95.291 ( 8.191 -14.381 9.863) 19.267 95.877 ( -4.121 -14.294 -11.408) 18.747 96.179 ( -10.348 -25.319 11.456) 29.654 97.980 ( -1.255 3.011 -0.992) 3.410 98.022 ( -0.783 1.917 0.234) 2.083 98.993 ( 0.120 9.499 0.996) 9.552 99.154 ( -4.178 3.448 -0.234) 5.422 102.440 ( 0.010 1.568 -0.011) 1.568 102.472 ( 0.043 1.067 0.002) 1.068 102.844 ( 1.832 3.935 -0.118) 4.342 102.925 ( -1.774 1.729 0.224) 2.488 107.570 ( -0.052 0.378 0.175) 0.420 107.608 ( 0.261 -0.266 -0.068) 0.379 107.783 ( 0.483 -1.543 0.371) 1.659 107.813 ( 1.004 -2.322 -0.259) 2.544 ======================= Grid point 127 (59/126) ======================= q-point: (-0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( -21.022 -7.380 -11.765) 25.196 2.995 ( 29.076 -9.610 -6.698) 31.347 3.309 ( 1.664 7.858 -7.873) 11.248 3.399 ( -9.015 3.898 -11.117) 14.834 3.578 ( -2.780 15.890 -13.000) 20.718 3.738 ( 5.266 12.408 -10.576) 17.133 5.094 ( -7.265 8.723 28.254) 30.450 5.365 ( 3.422 16.713 18.780) 25.372 5.574 ( -7.013 43.343 2.861) 43.999 5.743 ( 5.784 10.704 5.199) 13.231 6.020 ( -2.548 22.186 -0.130) 22.332 6.094 ( 9.043 20.030 -1.918) 22.060 6.198 ( -12.395 26.129 0.959) 28.936 6.509 ( 11.488 -6.131 -7.014) 14.791 6.795 ( 1.534 -12.875 2.225) 13.155 6.852 ( 4.371 -5.412 1.485) 7.113 7.174 ( -8.135 5.302 -0.928) 9.755 7.190 ( -4.688 8.770 -1.486) 10.055 7.315 ( 1.795 4.916 1.615) 5.476 7.491 ( 3.262 3.315 4.191) 6.261 7.792 ( -8.675 1.326 -1.385) 8.885 7.880 ( 7.080 -0.580 1.187) 7.202 8.093 ( -0.772 4.088 -1.113) 4.306 8.141 ( -1.875 -0.123 -1.926) 2.691 8.319 ( 4.421 -4.472 2.716) 6.850 8.534 ( 1.467 0.691 -0.056) 1.623 8.574 ( -1.064 -2.835 2.294) 3.798 8.667 ( 3.042 -1.762 0.715) 3.587 8.787 ( -3.935 -1.738 1.723) 4.634 9.125 ( -15.869 -16.245 -5.231) 23.304 9.297 ( -0.392 -12.983 -0.394) 12.995 9.321 ( 12.829 -13.594 -0.090) 18.692 9.347 ( -2.269 -8.874 0.214) 9.162 9.414 ( 5.117 -15.163 -1.505) 16.073 9.731 ( -2.089 -5.540 2.462) 6.412 9.930 ( 5.009 -14.279 0.115) 15.132 10.186 ( 1.387 -19.677 -0.514) 19.733 10.313 ( -2.368 -12.950 -3.549) 13.635 10.578 ( -0.636 -30.084 2.989) 30.238 10.722 ( -1.916 -23.214 0.963) 23.313 10.915 ( 0.138 0.988 -7.993) 8.055 11.076 ( 1.796 -8.108 -0.168) 8.307 11.154 ( -2.208 -8.581 -1.420) 8.973 11.291 ( 2.140 -2.396 -1.319) 3.473 11.399 ( 0.124 -1.632 -4.861) 5.129 11.636 ( -0.090 -0.585 -2.768) 2.830 11.855 ( -2.578 3.662 5.591) 7.164 11.899 ( 0.556 9.085 1.757) 9.270 12.118 ( 1.542 4.951 -1.323) 5.352 12.142 ( -3.605 6.507 -5.830) 9.451 12.171 ( 3.389 -3.472 -1.676) 5.133 12.291 ( -3.089 6.502 -1.884) 7.441 12.400 ( 4.187 5.039 -0.813) 6.602 12.534 ( -6.286 19.946 -0.826) 20.930 12.581 ( 5.656 10.348 1.704) 11.916 12.725 ( -2.327 3.731 6.437) 7.795 13.122 ( 3.706 15.795 5.018) 16.982 13.411 ( -3.981 13.928 -2.669) 14.729 13.557 ( 3.360 17.211 3.430) 17.868 13.655 ( -15.147 1.488 0.472) 15.227 13.710 ( 3.288 14.162 3.203) 14.888 13.859 ( 11.135 0.942 3.552) 11.726 14.160 ( 6.363 7.831 0.809) 10.122 14.368 ( -1.831 2.035 2.011) 3.397 14.436 ( -0.526 -3.392 4.344) 5.536 14.541 ( 1.810 -4.159 2.059) 4.981 14.607 ( -6.124 -1.725 1.478) 6.532 14.924 ( -2.083 5.582 -1.728) 6.204 15.017 ( -3.471 3.242 5.999) 7.651 15.158 ( 2.445 -1.353 4.073) 4.940 15.373 ( -5.225 -1.928 -5.252) 7.655 15.581 ( 9.809 3.596 -0.589) 10.464 15.635 ( -6.679 -4.656 -4.564) 9.334 15.696 ( 5.629 -2.832 -0.508) 6.321 15.871 ( -1.144 -0.423 -3.218) 3.441 15.896 ( 3.051 -2.624 4.259) 5.860 16.136 ( 0.198 0.837 0.526) 1.008 16.244 ( 0.089 0.537 3.349) 3.393 16.281 ( -1.852 -4.561 -4.900) 6.945 16.399 ( 1.553 -9.044 -3.805) 9.934 16.731 ( 2.092 -4.447 -7.437) 8.914 16.823 ( -1.757 -7.897 1.663) 8.259 17.085 ( -1.988 -2.199 3.456) 4.553 17.535 ( 1.022 -6.160 -2.634) 6.777 17.708 ( -3.650 -6.685 6.481) 10.001 17.801 ( 2.438 -4.963 -5.510) 7.806 17.974 ( -3.050 -8.606 -4.981) 10.400 18.100 ( 0.234 -13.519 -14.583) 19.887 18.678 ( -1.038 1.946 2.216) 3.127 18.793 ( -0.141 0.843 3.246) 3.357 18.989 ( -0.172 9.043 3.793) 9.807 19.179 ( -0.713 6.738 -0.941) 6.840 19.512 ( -2.655 2.028 -3.723) 5.002 19.538 ( -0.603 -0.336 -4.410) 4.464 19.972 ( 5.827 -5.605 3.497) 8.809 20.078 ( 0.050 -13.819 0.958) 13.852 20.670 ( 7.165 4.239 11.512) 14.206 20.897 ( 3.479 6.237 10.609) 12.789 21.272 ( -4.336 -6.714 0.611) 8.016 21.354 ( -5.719 -1.518 -0.857) 5.978 23.800 ( -0.130 1.003 2.794) 2.972 23.909 ( 1.298 1.899 0.070) 2.301 24.311 ( -0.228 6.234 10.888) 12.548 24.427 ( 0.631 0.887 6.609) 6.699 24.722 ( -3.446 3.341 0.383) 4.815 24.873 ( 2.669 5.152 0.099) 5.803 25.477 ( 2.937 4.295 -6.558) 8.371 25.587 ( 4.673 1.709 0.633) 5.016 25.609 ( -0.694 3.512 -1.356) 3.828 25.918 ( -0.312 -4.954 -8.692) 10.010 26.476 ( -6.742 1.188 -17.006) 18.332 26.672 ( -3.677 3.945 -5.468) 7.680 27.370 ( 2.427 8.765 0.618) 9.116 27.498 ( 5.908 -1.802 12.303) 13.766 27.730 ( -0.246 11.620 -7.032) 13.584 28.188 ( -2.879 4.139 8.346) 9.750 28.831 ( -2.707 -2.581 -8.730) 9.497 29.102 ( 0.433 -6.028 -6.002) 8.517 29.547 ( 2.116 4.811 6.310) 8.213 29.631 ( -0.209 0.860 2.921) 3.052 29.775 ( -2.744 0.679 0.942) 2.979 29.844 ( 2.628 1.894 -2.462) 4.068 30.366 ( 2.067 -7.083 0.947) 7.439 30.433 ( -2.881 -7.991 -2.296) 8.799 31.542 ( -3.308 3.501 2.655) 5.500 31.706 ( 4.700 -1.329 -0.424) 4.902 31.743 ( -2.730 0.651 0.740) 2.903 31.824 ( 2.069 -5.491 -0.761) 5.916 32.122 ( -2.161 1.395 1.475) 2.965 32.362 ( 5.395 -0.086 -3.789) 6.593 32.461 ( -4.457 -4.737 2.383) 6.927 32.627 ( 0.793 -5.045 -1.353) 5.283 33.446 ( -5.803 5.537 2.145) 8.303 33.543 ( 3.543 6.010 -0.857) 7.029 33.757 ( 2.715 6.165 3.037) 7.389 33.907 ( -1.984 5.629 0.444) 5.985 34.061 ( 1.243 0.681 0.862) 1.659 34.312 ( 0.446 3.292 -3.941) 5.154 34.480 ( -0.459 -6.338 2.939) 7.001 34.624 ( 0.473 -3.522 -0.607) 3.605 35.426 ( -0.134 9.263 0.611) 9.284 35.509 ( 1.974 11.974 -1.281) 12.203 35.959 ( -5.080 -1.639 4.470) 6.962 36.126 ( 3.782 -2.127 0.318) 4.351 91.012 ( 0.225 4.460 1.091) 4.597 91.083 ( -0.369 3.740 -1.280) 3.970 91.560 ( -0.050 -6.355 -5.029) 8.104 91.643 ( -0.424 -8.640 -5.311) 10.150 93.736 ( 0.510 6.229 0.636) 6.282 93.805 ( -0.430 7.197 -1.278) 7.323 94.189 ( -2.219 -2.872 0.034) 3.629 94.450 ( 2.372 -0.127 -2.607) 3.527 94.933 ( 0.091 -9.946 -10.354) 14.358 95.390 ( 2.383 -10.266 -8.772) 13.711 95.839 ( -1.008 -20.640 7.242) 21.897 96.169 ( -1.665 -21.654 5.158) 22.322 97.954 ( -0.258 3.045 -1.156) 3.267 98.010 ( -0.156 1.624 -0.993) 1.910 99.015 ( -0.808 8.964 1.949) 9.209 99.124 ( 1.178 5.308 0.144) 5.439 102.443 ( 0.167 1.553 0.261) 1.583 102.469 ( -0.194 1.166 -0.323) 1.226 102.872 ( 0.479 3.131 0.492) 3.206 102.902 ( -0.361 2.226 -0.156) 2.260 107.574 ( 0.030 0.319 0.458) 0.559 107.608 ( -0.028 -0.210 -0.256) 0.332 107.789 ( -0.337 -1.828 0.385) 1.899 107.819 ( 0.281 -2.521 -0.218) 2.546 ======================= Grid point 128 (60/126) ======================= q-point: (-0.38 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( -17.316 10.577 -13.138) 24.173 2.853 ( -17.102 13.285 -17.234) 27.676 3.167 ( -10.372 14.311 0.356) 17.677 3.384 ( 28.471 8.503 -13.970) 32.834 3.763 ( 43.318 -4.684 -4.785) 43.833 4.120 ( 36.987 0.508 2.445) 37.071 5.277 ( -11.688 9.968 18.598) 24.122 5.383 ( -22.137 49.456 1.709) 54.211 5.591 ( 0.538 25.635 7.730) 26.780 5.857 ( -1.850 11.878 6.662) 13.744 5.901 ( -17.647 8.198 -0.727) 19.472 6.010 ( -5.103 31.567 2.361) 32.064 6.173 ( 4.459 3.349 1.571) 5.793 6.559 ( 9.209 -12.383 -8.398) 17.569 6.764 ( -7.698 0.038 1.536) 7.850 6.851 ( -2.600 -6.656 -3.285) 7.865 7.148 ( -1.672 3.819 5.369) 6.797 7.173 ( 3.040 2.948 1.054) 4.364 7.363 ( -1.673 -0.354 3.351) 3.762 7.615 ( 0.824 3.745 -3.627) 5.278 7.728 ( 8.136 1.725 4.362) 9.391 7.916 ( -4.200 0.027 0.788) 4.273 8.118 ( -0.267 -1.500 -0.311) 1.555 8.167 ( 14.434 9.465 -0.741) 17.277 8.381 ( -19.351 -11.333 -4.407) 22.854 8.482 ( 7.470 -4.870 1.279) 9.008 8.580 ( -9.354 -2.924 3.003) 10.250 8.626 ( -8.737 -2.796 1.229) 9.255 8.697 ( -18.615 -2.850 2.142) 18.954 8.829 ( -1.220 -6.874 2.473) 7.406 8.984 ( -19.047 -13.741 -0.620) 23.494 9.242 ( 2.160 -8.502 -5.235) 10.215 9.437 ( 5.344 -5.361 0.679) 7.600 9.663 ( -2.743 -4.171 -1.627) 5.250 9.928 ( 33.268 -15.116 -0.656) 36.547 10.055 ( 1.201 -18.575 -0.398) 18.618 10.248 ( 2.704 -21.687 -1.481) 21.905 10.418 ( 27.065 -7.918 0.033) 28.199 10.611 ( -0.945 -23.363 2.125) 23.478 10.721 ( 0.972 -14.336 0.570) 14.380 10.828 ( 0.821 -5.295 -5.287) 7.528 11.110 ( 0.370 -9.401 -0.243) 9.411 11.126 ( 3.675 -8.524 -1.262) 9.368 11.241 ( 4.866 -9.785 -10.159) 14.921 11.393 ( -1.999 1.684 3.513) 4.378 11.609 ( 0.291 -0.217 -2.485) 2.511 11.819 ( -8.366 0.298 2.853) 8.844 11.858 ( -10.555 9.270 3.934) 14.588 11.942 ( -13.503 11.177 -3.757) 17.927 12.097 ( -9.007 9.495 -2.971) 13.421 12.128 ( -0.698 1.316 -1.242) 1.939 12.259 ( 1.961 1.303 -0.457) 2.398 12.427 ( 2.512 7.109 -0.370) 7.549 12.491 ( 4.272 7.721 2.114) 9.074 12.745 ( 6.483 8.212 -3.774) 11.122 12.826 ( 7.966 6.511 5.386) 11.613 13.160 ( -4.918 13.373 -2.506) 14.467 13.344 ( -0.525 14.338 4.005) 14.896 13.485 ( -11.217 3.157 7.441) 13.825 13.642 ( 2.559 14.656 -1.413) 14.945 13.760 ( -1.602 16.305 1.892) 16.492 14.025 ( 3.093 7.108 1.126) 7.833 14.176 ( -0.802 1.060 1.218) 1.803 14.432 ( 2.040 0.487 4.705) 5.152 14.527 ( 5.604 -1.108 2.858) 6.388 14.588 ( 2.275 -4.386 1.520) 5.169 14.653 ( 7.631 1.944 5.095) 9.379 14.829 ( -3.621 4.595 -5.584) 8.087 15.038 ( -5.663 -1.594 5.766) 8.237 15.227 ( -1.335 5.108 0.745) 5.332 15.338 ( 5.818 -3.107 2.978) 7.237 15.461 ( -5.891 -5.278 -4.397) 9.050 15.663 ( 2.780 0.726 -2.088) 3.552 15.799 ( 5.872 -1.615 -1.669) 6.314 15.810 ( 0.838 -3.275 -0.434) 3.408 16.005 ( 0.851 -0.266 1.401) 1.661 16.128 ( -0.179 1.217 -1.618) 2.032 16.172 ( 2.054 0.291 -5.974) 6.324 16.277 ( -1.101 1.990 3.908) 4.522 16.420 ( 1.205 -9.004 -0.084) 9.085 16.661 ( 1.393 -4.298 -5.509) 7.125 16.807 ( -0.901 -5.892 -1.041) 6.050 17.042 ( -10.455 -7.185 4.873) 13.590 17.420 ( -7.160 -3.522 -7.011) 10.622 17.678 ( -4.875 -10.577 -6.586) 13.380 17.728 ( -4.095 -6.244 2.064) 7.747 17.944 ( -1.910 -7.163 -7.691) 10.682 17.979 ( 9.365 -8.764 -1.501) 12.913 18.702 ( -1.051 3.438 3.912) 5.313 18.807 ( -1.790 1.408 0.738) 2.394 19.049 ( 1.388 8.375 4.949) 9.827 19.157 ( -0.390 8.080 -1.532) 8.234 19.463 ( 0.707 -0.011 -1.251) 1.437 19.484 ( 0.373 -1.296 -3.368) 3.628 20.026 ( -2.500 -9.123 -0.706) 9.486 20.082 ( 0.823 -10.414 -0.046) 10.447 20.959 ( 5.706 3.032 12.758) 14.301 21.166 ( 8.383 -5.049 13.249) 16.471 21.189 ( -5.054 0.601 -4.424) 6.743 21.212 ( -3.191 2.484 -1.631) 4.361 23.833 ( -0.697 0.275 2.880) 2.976 23.935 ( 2.210 0.918 -0.464) 2.438 24.402 ( -4.009 3.902 7.997) 9.760 24.557 ( 3.821 0.614 8.226) 9.091 24.743 ( -0.266 4.372 7.687) 8.848 24.957 ( 3.955 2.871 5.344) 7.242 25.434 ( 4.191 3.638 -9.729) 11.201 25.515 ( -4.937 3.861 -9.832) 11.659 25.648 ( 0.662 -2.021 -9.974) 10.198 25.689 ( -1.432 0.693 -7.169) 7.344 26.378 ( 4.367 0.773 1.769) 4.775 26.495 ( -6.643 3.216 -8.684) 11.397 27.346 ( -3.874 8.219 1.050) 9.147 27.601 ( 7.790 7.250 -5.882) 12.159 27.889 ( 9.875 3.849 12.356) 16.279 28.153 ( -6.302 -0.331 -4.079) 7.514 28.772 ( 1.638 -0.627 2.659) 3.185 29.035 ( 0.558 -5.336 -6.832) 8.686 29.590 ( -0.536 6.447 0.465) 6.486 29.627 ( -4.108 5.745 -3.906) 8.071 29.749 ( -0.125 -0.253 5.639) 5.646 29.902 ( 4.375 -1.940 -0.092) 4.787 30.297 ( -7.774 -6.121 -1.201) 9.967 30.429 ( 0.942 -7.753 1.211) 7.903 31.499 ( -5.411 3.578 1.535) 6.666 31.689 ( -4.509 -3.681 1.175) 5.938 31.781 ( 3.509 -0.321 -0.818) 3.618 31.851 ( 2.056 -5.177 -0.206) 5.574 32.106 ( -1.411 1.609 1.451) 2.586 32.323 ( -2.046 2.741 -3.710) 5.046 32.528 ( 7.499 -7.420 2.024) 10.742 32.668 ( 6.504 -3.447 -1.239) 7.464 33.347 ( -8.505 7.812 0.666) 11.567 33.620 ( 5.244 4.059 1.787) 6.868 33.822 ( -0.495 3.388 3.130) 4.639 33.895 ( 1.320 6.405 -0.634) 6.570 34.099 ( 1.156 1.204 1.909) 2.536 34.252 ( -0.833 2.296 -4.667) 5.268 34.508 ( -0.860 -6.096 2.582) 6.676 34.627 ( 1.181 -3.920 -0.743) 4.161 35.404 ( -3.910 10.253 0.728) 10.997 35.510 ( 0.239 11.048 -1.108) 11.106 35.923 ( -6.270 -0.563 2.984) 6.967 36.210 ( 5.586 -3.123 1.251) 6.521 91.028 ( -0.240 3.951 0.540) 3.995 91.069 ( 0.661 3.557 -0.377) 3.637 91.490 ( -0.334 -5.506 -5.350) 7.684 91.565 ( -0.230 -6.567 -5.563) 8.609 93.756 ( 0.632 5.984 0.801) 6.071 93.779 ( -0.585 7.032 -1.041) 7.132 94.164 ( -1.420 -2.281 0.229) 2.697 94.447 ( 4.373 -3.162 -5.664) 7.824 94.864 ( -0.354 -1.732 0.531) 1.846 95.236 ( 0.482 -4.154 -16.045) 16.582 95.787 ( -17.197 -19.722 6.095) 26.867 96.359 ( 15.018 -28.047 5.020) 32.209 97.945 ( 0.209 2.687 -0.322) 2.714 97.998 ( 1.149 1.483 -1.697) 2.529 99.017 ( -1.197 9.512 1.814) 9.757 99.184 ( 5.551 3.622 0.046) 6.629 102.450 ( 0.216 1.442 0.412) 1.515 102.460 ( -0.301 1.298 -0.457) 1.409 102.850 ( -2.289 3.742 -0.003) 4.387 102.931 ( 2.554 1.480 0.328) 2.969 107.582 ( 0.023 0.185 0.584) 0.613 107.602 ( -0.259 -0.113 -0.392) 0.483 107.782 ( -1.276 -1.851 0.346) 2.275 107.816 ( -0.309 -2.342 -0.177) 2.369 ======================= Grid point 129 (61/126) ======================= q-point: (-0.25 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( -9.470 29.866 -6.537) 32.006 2.567 ( 1.148 26.032 -6.539) 26.865 3.114 ( 1.043 24.265 2.723) 24.440 3.699 ( 36.275 13.799 -10.582) 40.228 4.436 ( 49.932 -14.057 0.505) 51.876 4.697 ( 33.055 0.031 2.974) 33.188 4.939 ( -39.040 53.498 3.731) 66.333 5.181 ( -20.995 40.643 -1.302) 45.764 5.481 ( -16.418 -4.054 6.247) 18.028 5.787 ( 1.283 11.011 0.077) 11.086 5.892 ( -3.440 20.169 5.856) 21.282 6.039 ( 4.786 18.046 -1.506) 18.730 6.277 ( 5.821 -2.809 1.780) 6.705 6.618 ( 6.232 -16.089 -1.110) 17.290 6.672 ( 1.112 -0.835 -5.957) 6.117 6.819 ( 3.204 -4.932 -1.954) 6.197 7.024 ( -9.837 5.081 -2.014) 11.254 7.280 ( -13.412 -8.626 4.467) 16.560 7.364 ( 1.520 -0.262 2.725) 3.131 7.486 ( -5.866 -8.510 1.211) 10.407 7.702 ( -33.553 -18.112 -0.912) 38.140 7.976 ( -8.260 -4.409 0.565) 9.380 8.008 ( 3.751 2.701 4.488) 6.443 8.161 ( -4.494 -1.512 2.368) 5.300 8.280 ( -1.705 6.695 -4.916) 8.479 8.306 ( -10.936 -3.207 -3.674) 11.974 8.478 ( 2.300 -1.635 -0.583) 2.882 8.528 ( -2.408 -1.455 0.837) 2.935 8.783 ( 7.524 -1.841 8.517) 11.513 8.804 ( 1.040 -1.215 -0.632) 1.720 8.993 ( 5.649 -4.212 3.009) 7.662 9.202 ( 2.336 -1.729 -6.563) 7.178 9.518 ( 4.505 -5.287 -0.363) 6.955 9.589 ( -1.652 -2.404 -1.990) 3.531 10.029 ( -0.332 -24.689 -1.081) 24.715 10.190 ( -0.182 -26.034 -1.570) 26.082 10.417 ( 25.324 -6.331 -2.774) 26.251 10.598 ( -1.957 -14.887 2.854) 15.284 10.685 ( 2.229 1.030 -0.646) 2.539 10.828 ( 6.799 -7.491 -0.390) 10.124 10.885 ( 18.582 -6.776 1.763) 19.858 11.116 ( 3.654 -14.360 -2.827) 15.085 11.198 ( 6.010 -4.632 1.367) 7.710 11.236 ( 6.323 -13.003 -3.314) 14.833 11.425 ( 3.003 -1.713 1.860) 3.926 11.525 ( -9.963 -0.708 -0.341) 9.994 11.686 ( -13.906 9.815 -2.314) 17.178 11.725 ( -13.193 9.724 4.132) 16.903 11.794 ( 3.986 0.644 -0.616) 4.085 11.918 ( -9.641 7.081 -1.212) 12.023 12.130 ( -0.492 3.135 1.200) 3.392 12.253 ( -0.572 2.769 -3.324) 4.364 12.424 ( -2.615 9.876 -4.440) 11.140 12.522 ( -8.776 4.474 4.714) 10.921 12.779 ( 6.953 -0.000 -0.507) 6.972 13.007 ( 6.624 6.509 4.044) 10.129 13.093 ( 3.632 9.526 -2.158) 10.421 13.362 ( 0.386 12.478 -0.765) 12.508 13.488 ( -6.762 5.525 7.591) 11.570 13.613 ( -1.536 14.958 -3.552) 15.451 13.740 ( -0.362 11.119 0.224) 11.127 13.962 ( -7.555 9.523 -1.917) 12.306 14.226 ( 3.574 1.062 0.754) 3.804 14.517 ( 5.519 0.792 -0.209) 5.579 14.595 ( 0.479 3.664 -3.071) 4.805 14.675 ( 3.595 -6.171 4.018) 8.195 14.730 ( 1.267 -2.466 -1.153) 3.002 14.862 ( 4.202 6.774 7.318) 10.821 15.044 ( 0.108 -3.500 4.965) 6.076 15.176 ( -3.010 4.531 -1.656) 5.686 15.351 ( -2.735 -2.917 -1.640) 4.321 15.512 ( 6.373 -1.677 4.400) 7.924 15.647 ( -0.347 1.936 -1.888) 2.726 15.790 ( -0.177 -3.832 0.099) 3.838 15.888 ( 2.123 -4.399 -1.140) 5.016 15.967 ( 4.066 1.664 -5.016) 6.668 16.118 ( 1.462 1.148 -0.009) 1.859 16.181 ( 4.479 1.338 -1.623) 4.948 16.303 ( -1.385 2.726 -1.341) 3.338 16.355 ( -4.349 -6.720 -5.768) 9.867 16.648 ( 0.184 -2.717 0.118) 2.725 16.805 ( 2.887 -4.073 -0.305) 5.002 16.961 ( -11.873 -8.408 7.446) 16.343 17.228 ( -9.719 -1.902 -0.042) 9.904 17.536 ( -4.457 -14.604 -2.115) 15.414 17.708 ( -3.228 -3.121 0.831) 4.566 17.800 ( -3.191 -8.193 -6.379) 10.862 18.136 ( 9.330 -8.630 1.423) 12.789 18.733 ( -2.039 4.410 3.230) 5.834 18.762 ( -2.984 3.397 -1.112) 4.657 19.128 ( -0.734 8.617 -1.724) 8.818 19.173 ( 6.330 5.640 6.187) 10.496 19.461 ( 1.689 -1.379 -1.059) 2.424 19.510 ( 3.288 -0.807 1.817) 3.842 19.905 ( -8.151 -6.526 -5.540) 11.821 20.082 ( -0.873 -12.825 -0.259) 12.857 20.868 ( -10.248 3.356 -8.320) 13.621 21.145 ( -0.925 7.920 -1.409) 8.098 21.281 ( 6.346 3.880 6.542) 9.906 21.496 ( 10.915 -15.010 9.503) 20.851 23.853 ( -0.143 1.509 1.595) 2.200 23.943 ( 0.715 -2.449 -2.068) 3.284 24.451 ( -0.048 4.513 5.457) 7.082 24.724 ( 6.137 -0.586 7.160) 9.448 24.831 ( -4.067 5.553 7.210) 9.968 25.054 ( -4.010 0.211 -8.214) 9.144 25.233 ( 1.510 7.909 -1.668) 8.223 25.348 ( 4.401 0.237 -15.697) 16.304 25.489 ( -6.174 -0.707 -1.481) 6.388 25.727 ( 0.423 -0.952 0.818) 1.324 26.367 ( 0.649 5.295 -1.047) 5.437 26.495 ( 3.771 2.704 3.811) 6.004 27.309 ( -2.245 3.424 0.637) 4.143 27.606 ( 0.624 1.673 -7.355) 7.568 28.050 ( 6.216 5.188 -4.927) 9.478 28.194 ( 8.003 3.720 13.998) 16.548 28.845 ( -0.889 -0.934 -0.433) 1.360 28.946 ( 0.814 -3.110 -3.773) 4.957 29.505 ( -4.700 5.752 -2.784) 7.933 29.586 ( -2.150 3.527 1.240) 4.313 29.822 ( 1.869 0.061 2.726) 3.306 29.935 ( 2.050 -2.158 -1.995) 3.583 30.211 ( -4.055 -5.276 1.978) 6.943 30.424 ( -3.510 -6.160 0.239) 7.094 31.451 ( -2.779 2.611 0.985) 3.938 31.634 ( -4.428 -3.694 0.707) 5.810 31.778 ( -2.315 -0.895 -0.721) 2.585 31.874 ( 1.592 -5.801 -0.415) 6.030 32.124 ( 1.148 1.542 0.782) 2.075 32.264 ( -0.078 3.278 -2.257) 3.980 32.673 ( 8.976 -7.660 1.147) 11.856 32.764 ( 8.121 -2.453 -0.951) 8.537 33.241 ( -7.522 8.596 1.223) 11.488 33.712 ( 1.649 3.715 3.322) 5.249 33.821 ( -1.757 2.110 0.724) 2.839 33.927 ( 3.582 4.362 -1.361) 5.806 34.119 ( -0.832 2.764 -0.782) 2.991 34.195 ( 0.465 2.028 -1.858) 2.790 34.517 ( -1.379 -5.425 1.557) 5.810 34.639 ( 2.098 -4.920 -1.327) 5.511 35.341 ( -5.743 12.514 0.609) 13.782 35.489 ( -0.793 10.921 -1.576) 11.063 35.867 ( -5.544 0.119 2.346) 6.021 36.296 ( 4.797 -4.020 -0.167) 6.261 91.021 ( -0.531 3.562 -0.072) 3.602 91.088 ( 1.384 3.252 0.208) 3.541 91.432 ( -0.998 -4.576 -1.317) 4.865 91.510 ( 0.234 -5.042 -2.786) 5.766 93.748 ( -0.626 5.446 -0.785) 5.538 93.789 ( 0.906 7.190 0.721) 7.282 94.156 ( -1.446 -2.402 1.833) 3.350 94.443 ( 5.651 -5.133 -5.619) 9.479 94.926 ( 0.336 2.536 7.995) 8.394 95.041 ( -0.681 -0.464 -12.765) 12.792 95.576 ( -16.758 -13.131 1.347) 21.333 96.614 ( 11.955 -34.783 2.499) 36.865 97.948 ( 0.323 2.574 0.008) 2.594 98.008 ( 2.090 0.965 -0.451) 2.346 99.039 ( 1.953 9.409 0.881) 9.649 99.256 ( 4.189 0.875 -0.503) 4.309 102.448 ( -0.337 1.389 -0.374) 1.477 102.460 ( 0.193 1.276 0.398) 1.350 102.822 ( -1.104 4.577 -0.258) 4.715 102.967 ( 1.702 0.570 0.289) 1.818 107.588 ( -0.126 0.026 0.350) 0.373 107.592 ( -0.273 0.008 -0.255) 0.374 107.763 ( -1.826 -1.366 0.277) 2.297 107.807 ( -0.568 -2.013 -0.186) 2.099 ======================= Grid point 130 (62/126) ======================= q-point: (-0.12 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( -4.128 35.616 18.502) 40.347 2.693 ( 20.678 39.757 -2.234) 44.869 3.221 ( 7.623 33.615 0.227) 34.470 4.121 ( 32.467 11.010 -4.532) 34.582 4.413 ( -33.208 50.646 2.937) 60.633 4.664 ( -25.899 49.166 -3.357) 55.672 5.078 ( -10.220 -2.706 7.261) 12.825 5.176 ( 47.936 -7.106 0.874) 48.468 5.548 ( 19.307 -5.847 2.662) 20.348 5.786 ( 3.237 7.999 -7.427) 11.385 5.897 ( 0.604 29.375 0.343) 29.383 6.116 ( 8.478 8.563 -0.330) 12.055 6.359 ( 3.108 -9.943 -0.861) 10.453 6.548 ( -4.469 5.808 -8.478) 11.207 6.689 ( -4.282 -6.431 2.150) 8.020 6.865 ( -10.123 -21.152 -2.160) 23.549 6.926 ( 10.689 -6.467 -1.121) 12.543 6.985 ( -17.837 -12.471 1.219) 21.799 7.188 ( -29.232 -16.423 -0.769) 33.538 7.329 ( -11.303 -12.451 2.879) 17.061 7.468 ( -9.192 -8.525 1.306) 12.604 7.706 ( -11.380 -5.256 -0.369) 12.540 7.976 ( -4.574 1.049 -6.617) 8.112 8.147 ( 0.431 2.692 -2.154) 3.475 8.284 ( 2.218 2.072 1.837) 3.547 8.294 ( 4.494 1.600 2.442) 5.360 8.490 ( -0.833 -4.018 -0.725) 4.167 8.564 ( -1.214 5.867 3.387) 6.882 8.859 ( 9.871 1.910 -2.933) 10.473 8.942 ( 5.413 -3.995 -0.058) 6.727 9.091 ( 1.180 -7.549 1.527) 7.791 9.165 ( 1.372 7.823 -0.834) 7.986 9.551 ( 4.626 -1.496 -0.717) 4.914 9.609 ( 0.882 -4.116 2.652) 4.975 10.020 ( 0.806 -28.088 -0.007) 28.099 10.157 ( -1.126 -26.724 -0.916) 26.764 10.533 ( 0.755 -0.747 -0.438) 1.149 10.643 ( -0.111 1.935 1.848) 2.678 10.778 ( 6.628 1.390 -0.316) 6.780 10.928 ( 8.444 -1.050 0.636) 8.532 11.051 ( 1.725 -2.482 0.473) 3.059 11.186 ( 8.756 -18.750 -0.029) 20.693 11.282 ( 2.559 -13.371 0.887) 13.642 11.347 ( 6.568 -3.551 3.560) 8.272 11.383 ( -7.272 1.556 0.197) 7.439 11.489 ( -4.303 -1.293 -3.236) 5.537 11.562 ( 4.614 -0.936 0.715) 4.762 11.602 ( -5.852 6.453 2.675) 9.113 11.792 ( -4.492 -3.708 0.786) 5.878 11.923 ( 9.400 11.455 1.683) 14.913 12.131 ( -1.384 4.093 0.045) 4.321 12.168 ( -4.095 7.497 -2.039) 8.783 12.268 ( -9.908 8.966 -2.597) 13.613 12.402 ( -10.101 -2.566 1.531) 10.534 12.900 ( 6.522 -1.421 -0.466) 6.692 13.068 ( 1.994 5.251 -3.979) 6.884 13.182 ( 0.906 4.848 5.901) 7.691 13.368 ( -3.046 6.682 -0.059) 7.344 13.409 ( 1.118 10.712 -4.741) 11.767 13.583 ( 3.552 14.442 -3.038) 15.180 13.752 ( -0.805 7.044 0.959) 7.155 13.835 ( -5.488 11.915 -0.737) 13.139 14.261 ( 0.849 2.883 -1.105) 3.202 14.480 ( -2.122 1.251 -7.178) 7.589 14.578 ( 7.087 0.532 -5.545) 9.014 14.768 ( 1.721 -5.911 3.717) 7.192 14.823 ( -0.971 -1.837 8.291) 8.547 14.905 ( -0.249 1.237 0.674) 1.431 15.088 ( -2.480 2.030 1.189) 3.418 15.164 ( -1.539 2.751 2.825) 4.233 15.335 ( 0.086 0.164 1.301) 1.314 15.562 ( 4.439 -0.297 -7.807) 8.986 15.679 ( 2.379 2.304 4.432) 5.533 15.771 ( 0.372 -6.401 -1.031) 6.495 15.885 ( -0.710 -4.626 -0.851) 4.757 15.977 ( 6.159 0.177 -5.676) 8.378 16.134 ( 1.514 -4.113 -4.423) 6.226 16.213 ( -2.728 -0.957 0.222) 2.900 16.245 ( -2.113 1.177 -3.681) 4.404 16.306 ( 5.955 2.913 6.731) 9.447 16.651 ( -1.320 2.156 1.116) 2.763 16.830 ( -1.445 -5.548 -1.075) 5.833 16.856 ( -4.608 1.019 0.997) 4.823 17.150 ( -9.764 -7.504 4.845) 13.234 17.521 ( -4.949 -13.009 8.519) 16.319 17.663 ( 0.097 -6.431 -0.801) 6.482 17.742 ( -1.331 -7.889 2.850) 8.493 18.253 ( 6.025 -9.080 -1.057) 10.948 18.682 ( -4.131 5.239 -0.430) 6.685 18.751 ( -0.744 5.999 0.509) 6.067 19.096 ( -0.002 8.059 -2.144) 8.339 19.350 ( 6.377 -0.914 1.789) 6.686 19.513 ( 3.596 -0.653 3.883) 5.333 19.586 ( 3.202 -0.391 3.807) 4.990 19.664 ( -10.877 -0.919 -8.326) 13.728 20.065 ( -0.893 -15.132 0.344) 15.162 20.679 ( -2.385 5.027 -4.571) 7.201 21.112 ( 1.148 10.268 -4.026) 11.089 21.386 ( 1.165 3.051 0.331) 3.282 21.664 ( 3.618 -19.710 -0.987) 20.064 23.867 ( 0.251 3.714 -1.047) 3.867 23.920 ( 0.661 -6.727 -0.706) 6.796 24.510 ( 0.593 6.422 -0.925) 6.515 24.653 ( -4.237 7.120 -17.298) 19.180 24.916 ( 7.118 -0.760 6.273) 9.518 24.941 ( -3.332 3.536 5.591) 7.407 25.182 ( 3.484 -0.309 -13.390) 13.839 25.345 ( -3.318 5.958 4.057) 7.935 25.529 ( -0.534 -5.424 16.777) 17.640 25.710 ( 0.272 1.190 -0.735) 1.425 26.463 ( 3.405 5.686 6.655) 9.392 26.546 ( -1.235 6.811 1.817) 7.156 27.276 ( -1.585 -1.810 -3.728) 4.437 27.519 ( 0.654 -3.502 -0.884) 3.671 28.161 ( 10.421 9.183 -2.708) 14.151 28.373 ( -0.686 4.507 -0.878) 4.643 28.797 ( 3.044 1.378 3.691) 4.979 28.971 ( -1.228 -4.385 2.813) 5.353 29.428 ( -2.843 5.338 -0.228) 6.052 29.563 ( -3.492 -0.117 1.968) 4.010 29.865 ( 2.441 -0.588 -1.884) 3.139 29.929 ( 1.400 -1.904 -1.958) 3.069 30.213 ( 0.113 -4.540 1.350) 4.738 30.327 ( -7.172 -3.057 -2.728) 8.260 31.451 ( 0.385 -0.194 1.421) 1.485 31.590 ( -3.261 -3.164 1.291) 4.724 31.720 ( -3.154 0.473 -0.801) 3.288 31.878 ( 0.896 -6.377 -2.096) 6.772 32.148 ( 0.846 0.880 1.336) 1.810 32.267 ( 1.814 3.651 -0.062) 4.077 32.798 ( 6.350 -8.316 0.465) 10.474 32.864 ( 7.041 -3.875 -0.974) 8.095 33.161 ( -6.401 10.477 2.027) 12.444 33.691 ( -4.564 6.876 -3.345) 8.905 33.832 ( 0.512 0.631 1.837) 2.009 33.958 ( 3.426 1.563 -1.143) 3.935 34.077 ( -0.440 2.663 -1.938) 3.323 34.209 ( 0.925 4.156 0.305) 4.269 34.517 ( -1.129 -4.734 1.553) 5.109 34.654 ( 2.777 -6.512 -1.691) 7.278 35.265 ( -4.922 15.466 0.095) 16.230 35.449 ( -0.407 12.179 -3.052) 12.563 35.834 ( -3.646 -0.115 3.190) 4.846 36.334 ( 2.868 -4.528 -2.670) 5.988 91.015 ( -0.205 3.541 0.056) 3.547 91.104 ( 0.809 3.204 -0.440) 3.333 91.447 ( -0.883 -5.588 5.935) 8.199 91.506 ( 0.703 -4.750 1.162) 4.941 93.736 ( -0.065 5.402 -0.306) 5.411 93.802 ( 0.282 7.252 -0.236) 7.262 94.170 ( -1.718 -2.860 3.968) 5.184 94.485 ( 6.371 -6.955 -1.344) 9.528 94.892 ( -0.489 2.601 -7.024) 7.506 95.075 ( -0.169 -1.425 10.720) 10.815 95.390 ( -9.559 -7.074 3.093) 12.287 96.746 ( 5.451 -37.367 -1.904) 37.810 97.956 ( 0.350 2.695 0.508) 2.765 98.040 ( 1.440 0.152 1.037) 1.781 99.091 ( 3.776 7.436 0.059) 8.340 99.282 ( 0.926 -0.648 -1.137) 1.603 102.441 ( -0.096 1.462 -0.136) 1.471 102.465 ( -0.077 1.092 0.173) 1.108 102.815 ( 0.249 4.919 0.162) 4.928 102.981 ( 0.426 0.162 -0.603) 0.756 107.583 ( -0.157 0.082 -0.205) 0.271 107.592 ( -0.213 -0.055 0.179) 0.283 107.742 ( -1.447 -0.512 0.369) 1.579 107.796 ( -0.386 -1.655 -0.351) 1.735 ======================= Grid point 131 (63/126) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( -2.502 32.833 25.001) 41.344 3.814 ( 14.256 26.368 -1.860) 30.033 3.889 ( -11.135 34.327 1.954) 36.141 4.391 ( 2.602 -8.912 5.609) 10.847 4.859 ( 5.642 16.829 -2.108) 17.874 4.979 ( -16.662 15.507 2.090) 22.857 5.216 ( 0.679 26.741 -4.104) 27.063 5.439 ( 23.374 -11.774 -7.961) 27.356 5.556 ( -5.667 -29.062 1.270) 29.636 5.681 ( -14.928 -10.068 -2.613) 18.194 5.930 ( 33.103 -15.379 -0.696) 36.508 6.009 ( -25.486 -10.221 0.072) 27.459 6.210 ( -0.438 -10.383 -8.821) 13.631 6.488 ( 3.057 3.827 -2.898) 5.691 6.598 ( -1.183 -0.937 4.540) 4.784 6.733 ( -3.068 15.821 1.335) 16.171 6.875 ( 2.537 -6.318 -1.333) 6.938 6.888 ( 1.653 17.826 -1.577) 17.972 7.018 ( -2.605 19.607 1.034) 19.806 7.224 ( -8.762 13.220 0.322) 15.864 7.402 ( 1.471 15.391 1.335) 15.518 7.639 ( 2.524 2.725 -0.522) 3.751 7.917 ( 3.957 -0.820 -6.887) 7.985 8.079 ( -1.217 1.571 -10.595) 10.780 8.268 ( -0.786 -5.122 1.029) 5.283 8.378 ( -1.171 -1.241 2.491) 3.020 8.457 ( 3.170 -0.072 0.111) 3.173 8.586 ( -4.665 1.921 -2.226) 5.514 8.766 ( -5.294 -12.461 1.230) 13.595 8.876 ( 2.055 -9.668 -0.086) 9.884 9.121 ( 3.566 1.544 -0.146) 3.889 9.212 ( -1.379 -9.139 -2.198) 9.500 9.419 ( -0.537 -21.180 2.712) 21.359 9.492 ( -0.251 -21.704 0.775) 21.719 9.533 ( -0.109 -9.916 3.091) 10.387 9.571 ( 4.043 -12.892 3.264) 13.900 10.681 ( 5.153 1.289 2.267) 5.775 10.786 ( -5.064 3.623 0.752) 6.272 10.839 ( 10.167 -2.573 1.287) 10.566 10.894 ( 0.207 1.236 1.457) 1.922 10.987 ( -3.883 -5.260 4.025) 7.678 11.084 ( -1.897 -4.298 1.225) 4.856 11.203 ( 10.829 0.042 -0.621) 10.847 11.238 ( -11.654 0.854 -0.750) 11.709 11.398 ( -10.134 4.709 -1.407) 11.263 11.484 ( 7.760 -3.105 -2.432) 8.705 11.556 ( -1.280 -0.865 3.590) 3.909 11.638 ( 7.228 -5.409 5.560) 10.602 11.827 ( -0.076 7.452 0.875) 7.503 12.111 ( 0.383 -2.970 -2.200) 3.716 12.126 ( -1.052 -1.560 3.381) 3.869 12.186 ( -9.946 -3.779 2.458) 10.920 12.385 ( -0.334 14.145 1.133) 14.195 12.496 ( 4.365 17.818 -1.980) 18.452 12.830 ( 0.094 -6.109 -2.055) 6.446 12.961 ( -4.997 -3.235 -6.522) 8.830 13.354 ( 0.596 6.697 -1.320) 6.852 13.419 ( -0.669 6.000 -0.770) 6.086 13.619 ( -0.352 9.295 -6.158) 11.155 13.789 ( 4.492 4.281 -8.485) 10.512 13.925 ( -0.354 7.478 3.693) 8.347 14.038 ( 4.037 9.899 2.875) 11.070 14.225 ( 0.444 -4.381 -1.448) 4.635 14.361 ( 0.864 -1.812 -7.674) 7.932 14.609 ( 1.621 0.908 -0.449) 1.911 14.686 ( -1.804 -5.682 3.466) 6.895 14.836 ( -4.867 3.097 3.320) 6.656 14.944 ( 0.550 -0.104 3.493) 3.538 15.129 ( 0.025 2.147 0.177) 2.154 15.167 ( -4.133 0.511 0.857) 4.252 15.349 ( -3.189 2.709 -4.324) 6.018 15.514 ( 1.767 0.708 -7.178) 7.426 15.622 ( -0.605 -7.154 -1.807) 7.404 15.704 ( 2.242 -7.015 -0.241) 7.368 15.916 ( 1.079 1.921 -0.718) 2.318 15.920 ( 6.406 -2.792 -5.642) 8.981 16.043 ( 3.407 -0.658 -2.221) 4.120 16.146 ( -2.127 -3.355 3.244) 5.129 16.297 ( 0.637 6.000 0.060) 6.034 16.527 ( -1.180 2.945 -4.053) 5.147 16.634 ( 1.526 -1.201 4.632) 5.023 16.781 ( -6.741 4.721 1.820) 8.429 16.844 ( 0.051 -3.492 2.567) 4.334 17.049 ( -1.009 -0.274 3.140) 3.310 17.321 ( -0.008 -10.353 13.826) 17.273 17.541 ( 2.195 -8.138 3.388) 9.084 17.703 ( 1.194 -3.185 5.805) 6.728 18.016 ( 0.232 -14.629 -1.970) 14.763 18.792 ( -0.708 6.882 0.269) 6.923 18.852 ( -0.589 4.331 -0.462) 4.395 19.204 ( 1.507 4.175 -2.067) 4.896 19.285 ( -3.433 -0.717 -5.061) 6.157 19.467 ( -3.036 -0.090 -2.276) 3.796 19.537 ( -3.336 -1.595 -2.855) 4.671 19.736 ( 5.494 -1.194 7.201) 9.136 19.840 ( 2.465 -8.444 3.890) 9.618 20.787 ( 4.317 5.845 -2.166) 7.582 21.137 ( -1.034 -8.888 -11.824) 14.828 21.291 ( -0.356 3.007 -3.433) 4.578 21.412 ( -3.275 -1.086 -4.423) 5.610 23.835 ( -0.876 1.110 -0.271) 1.440 23.916 ( 1.438 -1.213 0.438) 1.931 24.500 ( -3.772 6.417 -10.903) 13.201 24.612 ( 1.022 2.786 -12.726) 13.067 24.866 ( -2.541 -1.421 2.154) 3.622 24.966 ( 0.171 -2.958 -4.076) 5.039 25.304 ( 5.824 4.307 5.080) 8.847 25.488 ( -0.179 -4.063 0.540) 4.102 25.618 ( 1.807 8.531 14.460) 16.886 25.846 ( 0.811 -2.932 17.482) 17.744 26.619 ( -5.073 5.831 2.617) 8.160 26.690 ( -2.442 2.247 4.742) 5.787 27.205 ( 3.692 4.894 -5.165) 8.016 27.499 ( 5.735 -7.230 3.304) 9.802 28.290 ( -3.070 4.524 -6.613) 8.580 28.342 ( -4.512 2.708 -5.748) 7.793 28.934 ( -2.415 0.676 5.472) 6.019 29.003 ( 3.621 -1.655 9.479) 10.282 29.526 ( 2.246 3.600 1.457) 4.486 29.567 ( 1.295 1.631 4.498) 4.957 29.773 ( 0.403 -2.651 -7.349) 7.823 29.856 ( -0.128 -4.809 -0.835) 4.882 30.124 ( -2.780 -0.096 -4.257) 5.085 30.203 ( 0.615 -2.515 -3.316) 4.207 31.461 ( -0.260 0.097 1.884) 1.905 31.537 ( -0.962 -2.545 2.770) 3.882 31.651 ( -0.471 -1.011 -2.221) 2.485 31.753 ( 0.787 -4.659 -1.394) 4.927 32.245 ( 0.089 5.594 1.248) 5.732 32.403 ( 0.577 6.234 -2.279) 6.662 32.656 ( -0.699 -8.601 2.013) 8.861 32.778 ( 0.724 -7.192 -1.167) 7.321 33.410 ( -0.456 13.544 2.585) 13.796 33.745 ( -1.481 6.514 -5.257) 8.501 33.834 ( 0.503 -2.507 2.555) 3.614 33.965 ( -0.336 -1.373 0.108) 1.418 34.174 ( 1.647 5.158 0.861) 5.483 34.276 ( -1.424 2.752 -1.632) 3.502 34.435 ( -1.244 -3.749 1.750) 4.321 34.518 ( 2.912 -7.994 -0.105) 8.508 35.514 ( -1.005 11.888 0.165) 11.932 35.677 ( 3.057 12.125 -3.906) 13.101 35.816 ( -2.786 -1.268 3.400) 4.575 36.178 ( 0.570 -8.566 -4.628) 9.752 91.114 ( 0.223 5.569 1.345) 5.733 91.183 ( -0.223 5.041 -0.265) 5.052 91.379 ( -0.165 -7.413 5.029) 8.959 91.430 ( 0.487 -6.592 2.459) 7.053 93.868 ( 0.417 6.814 1.573) 7.005 93.961 ( 0.023 9.388 -1.118) 9.455 94.122 ( -1.604 -4.820 4.390) 6.714 94.371 ( 2.842 -10.304 0.178) 10.690 94.877 ( -0.123 3.573 -5.288) 6.383 95.027 ( -1.937 -3.025 -3.304) 4.881 95.417 ( 0.741 0.749 12.178) 12.223 96.038 ( 0.037 -29.788 -3.442) 29.986 98.021 ( -0.099 2.158 1.573) 2.673 98.065 ( -0.005 -0.157 1.448) 1.457 99.210 ( -0.461 3.506 -0.885) 3.645 99.270 ( 0.484 0.091 -1.574) 1.649 102.468 ( 0.188 1.012 0.114) 1.035 102.479 ( -0.189 0.534 -0.106) 0.576 102.906 ( 0.123 3.041 0.532) 3.090 102.969 ( -0.111 -0.293 -0.837) 0.894 107.584 ( 0.017 0.106 0.028) 0.111 107.588 ( -0.148 -0.054 -0.021) 0.159 107.736 ( -0.043 0.223 0.248) 0.336 107.763 ( 0.137 -1.114 -0.325) 1.168 ======================= Grid point 132 (64/126) ======================= q-point: ( 0.12 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.052 ( -21.687 25.239 15.192) 36.580 3.681 ( -10.611 25.963 12.251) 30.607 3.779 ( -20.025 26.963 5.033) 33.961 4.288 ( -27.405 -13.258 4.334) 30.751 4.737 ( -15.459 -10.266 -5.079) 19.239 4.882 ( -13.570 6.508 -6.970) 16.585 5.177 ( -11.549 3.168 -2.767) 12.291 5.281 ( 6.179 1.782 0.992) 6.507 5.575 ( 10.611 9.919 -3.774) 15.008 5.647 ( 20.047 25.610 -5.298) 32.952 5.995 ( -5.215 -0.390 -12.392) 13.450 6.151 ( 19.464 -14.175 4.191) 24.441 6.471 ( 9.447 -2.598 -4.137) 10.635 6.578 ( 15.996 -15.311 5.462) 22.806 6.650 ( 9.618 -2.522 1.834) 10.111 6.738 ( 13.929 4.671 -0.255) 14.694 6.862 ( 5.677 1.217 -2.708) 6.406 6.963 ( 6.107 16.453 0.984) 17.578 7.082 ( 5.974 15.075 0.790) 16.235 7.115 ( -5.870 7.012 2.502) 9.481 7.437 ( 2.498 12.267 -2.231) 12.716 7.753 ( 11.297 9.348 3.077) 14.983 7.905 ( 6.276 -2.382 -7.002) 9.700 7.940 ( 2.427 4.335 -11.174) 12.229 8.267 ( -1.311 -3.965 1.133) 4.328 8.379 ( 0.770 -4.834 -1.250) 5.052 8.487 ( -1.845 -1.775 1.666) 3.054 8.561 ( 3.640 1.304 1.418) 4.118 8.687 ( -7.980 -6.708 2.872) 10.813 8.876 ( -2.219 -4.071 -0.966) 4.736 9.069 ( -9.203 -3.097 0.208) 9.712 9.192 ( 0.524 -15.937 -1.595) 16.025 9.410 ( -3.628 -27.581 0.831) 27.831 9.515 ( -0.420 -14.097 1.232) 14.157 9.546 ( -1.324 -4.189 2.228) 4.926 9.664 ( 3.366 -15.544 1.638) 15.989 10.527 ( -21.529 -2.495 -0.544) 21.680 10.678 ( -20.123 -2.451 -0.277) 20.274 10.806 ( -11.935 -2.435 -0.674) 12.199 10.903 ( -1.012 -1.198 3.307) 3.660 10.995 ( -2.677 -0.584 2.134) 3.473 11.081 ( -5.070 -5.506 2.839) 8.005 11.128 ( -0.558 0.830 1.164) 1.534 11.248 ( -1.358 -0.552 -0.980) 1.764 11.398 ( 8.667 0.969 0.868) 8.764 11.478 ( -4.660 -5.694 1.312) 7.474 11.678 ( 11.174 6.848 0.600) 13.119 11.792 ( 4.068 4.255 4.938) 7.684 11.864 ( 3.797 2.405 0.802) 4.566 12.072 ( 0.755 -1.195 -2.632) 2.988 12.134 ( -2.453 4.393 4.769) 6.932 12.250 ( 13.157 -3.693 1.069) 13.707 12.419 ( 3.841 9.038 0.895) 9.861 12.593 ( 9.640 11.451 -3.723) 15.424 12.760 ( -7.040 -2.292 -2.285) 7.748 12.826 ( -1.461 -0.787 -2.400) 2.918 13.352 ( -0.558 3.077 -0.036) 3.127 13.388 ( 0.857 4.681 -3.715) 6.037 13.558 ( 4.735 9.714 -4.814) 11.830 13.766 ( 2.991 5.169 -5.657) 8.226 13.963 ( -0.850 10.054 2.948) 10.511 14.122 ( 3.610 5.643 0.337) 6.707 14.207 ( -0.099 0.510 -1.605) 1.686 14.282 ( 1.887 -1.107 -9.048) 9.308 14.598 ( -7.940 -0.572 0.408) 7.971 14.652 ( -1.698 -3.474 1.577) 4.175 14.804 ( -5.496 7.037 1.409) 9.039 14.986 ( 1.738 1.397 4.508) 5.029 15.078 ( -10.757 -4.349 1.810) 11.743 15.181 ( 8.245 6.432 -2.159) 10.678 15.279 ( -0.906 2.163 -2.761) 3.623 15.464 ( -3.152 -2.328 0.189) 3.923 15.585 ( -0.008 -8.933 -0.618) 8.955 15.714 ( 1.232 -9.063 -1.242) 9.230 15.853 ( 3.782 -1.619 -7.187) 8.281 15.984 ( 5.704 -4.211 -6.165) 9.396 16.116 ( 3.008 1.005 4.800) 5.753 16.181 ( -0.622 -1.467 2.478) 2.946 16.297 ( -2.341 3.654 0.065) 4.340 16.418 ( -0.674 -3.986 -5.223) 6.605 16.581 ( -11.298 6.746 3.506) 13.618 16.823 ( 1.744 3.024 6.250) 7.159 16.863 ( -2.768 -5.212 1.878) 6.193 17.131 ( 9.599 -4.328 0.490) 10.541 17.514 ( 4.121 -2.266 7.848) 9.149 17.603 ( 0.769 -6.398 5.356) 8.379 17.794 ( 1.009 -6.467 3.110) 7.247 18.001 ( -0.296 -12.904 1.055) 12.950 18.778 ( -1.838 5.596 0.347) 5.900 18.827 ( -1.502 4.325 -0.964) 4.679 19.154 ( -3.253 4.023 -4.523) 6.872 19.219 ( 2.400 2.406 -1.027) 3.551 19.464 ( 1.992 -2.373 1.451) 3.421 19.473 ( -0.507 -1.646 -1.150) 2.071 19.864 ( 1.760 -3.557 3.590) 5.352 19.908 ( 0.983 -6.029 1.719) 6.346 20.839 ( 4.290 0.358 -2.454) 4.955 20.942 ( -2.841 -5.251 -12.443) 13.802 21.258 ( 0.575 2.618 -0.812) 2.801 21.274 ( -5.122 1.333 -5.898) 7.925 23.827 ( -0.713 2.664 0.753) 2.859 23.936 ( 0.976 -1.348 -0.470) 1.729 24.358 ( -0.955 5.723 -5.957) 8.316 24.470 ( -0.156 1.397 -9.747) 9.848 24.834 ( -4.071 0.927 1.181) 4.339 24.951 ( 1.030 -3.749 0.290) 3.899 25.409 ( 3.219 1.619 -0.745) 3.680 25.454 ( 3.619 0.042 -2.735) 4.536 25.915 ( 3.542 3.845 18.835) 19.547 26.019 ( -5.006 -0.527 9.730) 10.955 26.575 ( -4.422 5.846 3.209) 8.002 26.676 ( -3.308 3.739 5.191) 7.202 27.261 ( 7.264 6.077 -0.874) 9.511 27.575 ( 4.402 -6.990 -7.279) 11.010 28.167 ( -5.804 3.670 -1.167) 6.966 28.214 ( -4.030 2.173 -1.960) 4.980 28.938 ( -5.455 2.972 6.651) 9.101 29.118 ( -2.723 -4.892 8.344) 10.048 29.545 ( 2.717 3.127 -6.524) 7.728 29.658 ( -0.535 -0.478 -8.004) 8.036 29.727 ( 3.925 4.164 7.458) 9.400 29.913 ( 4.540 -4.417 6.167) 8.840 30.020 ( 0.344 -0.431 -6.284) 6.309 30.165 ( 2.226 -5.569 -5.944) 8.445 31.493 ( 0.633 0.619 2.117) 2.295 31.570 ( 0.341 -2.542 2.933) 3.896 31.641 ( 3.237 -0.788 -1.940) 3.855 31.745 ( 1.197 -3.906 -2.143) 4.613 32.251 ( -2.316 3.875 1.780) 4.852 32.362 ( -1.372 2.758 -2.750) 4.130 32.642 ( -4.720 -5.529 2.214) 7.600 32.741 ( -3.319 -6.704 -1.428) 7.615 33.456 ( 1.129 13.620 3.573) 14.126 33.671 ( 0.898 7.626 -5.303) 9.331 33.864 ( -0.972 -0.350 2.189) 2.421 33.969 ( 1.223 -2.873 0.051) 3.123 34.173 ( -3.131 3.338 -0.927) 4.670 34.264 ( 2.438 1.363 0.053) 2.793 34.432 ( -1.903 -2.591 1.285) 3.462 34.553 ( 1.646 -5.802 -0.334) 6.040 35.518 ( 1.172 11.882 0.365) 11.945 35.672 ( 3.707 12.755 -4.079) 13.895 35.840 ( -1.435 -3.657 4.776) 6.184 36.114 ( -0.049 -7.674 -5.611) 9.507 91.138 ( 0.138 6.297 1.487) 6.472 91.172 ( -0.372 5.597 -0.306) 5.617 91.439 ( -0.059 -8.306 4.108) 9.267 91.468 ( 0.367 -8.216 2.308) 8.542 93.893 ( -0.272 7.197 1.148) 7.293 93.949 ( 0.775 10.391 -0.451) 10.429 94.153 ( -2.204 -5.030 4.253) 6.946 94.410 ( 2.508 -10.632 -0.379) 10.931 94.836 ( 0.042 0.432 -0.539) 0.692 94.966 ( 1.679 -5.056 -6.116) 8.111 95.585 ( -0.289 -5.107 12.633) 13.629 95.955 ( -2.942 -23.670 -5.966) 24.587 98.038 ( -0.685 2.134 1.992) 2.999 98.075 ( -0.791 0.298 0.956) 1.276 99.177 ( -2.186 4.132 -0.719) 4.730 99.255 ( 0.084 -0.340 -1.684) 1.720 102.473 ( -0.080 0.828 -0.091) 0.837 102.475 ( 0.274 0.728 0.099) 0.784 102.911 ( -0.500 2.750 0.502) 2.840 102.959 ( 0.238 0.173 -0.779) 0.833 107.582 ( -0.171 0.218 -0.082) 0.289 107.590 ( 0.328 -0.143 0.090) 0.369 107.743 ( 0.388 -0.030 0.289) 0.485 107.763 ( 0.541 -1.060 -0.364) 1.244 ======================= Grid point 133 (65/126) ======================= q-point: ( 0.25 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( -24.865 16.677 2.312) 30.029 3.482 ( -22.224 12.129 0.603) 25.325 3.660 ( -29.942 -6.728 0.991) 30.705 4.054 ( -11.948 8.063 26.502) 30.168 4.380 ( -37.510 -14.355 2.386) 40.234 4.505 ( 4.726 14.977 -29.841) 33.722 4.949 ( -13.668 -6.277 8.488) 17.270 5.376 ( 1.120 -3.794 -2.808) 4.851 5.637 ( -4.967 10.315 -10.742) 15.699 5.943 ( 29.178 33.888 3.153) 44.829 6.165 ( 31.046 24.016 -0.457) 39.253 6.224 ( 3.288 -1.975 -3.862) 5.443 6.409 ( -6.176 -0.454 1.973) 6.500 6.656 ( -3.471 -5.348 -0.313) 6.383 6.833 ( 7.244 20.220 -0.613) 21.487 6.885 ( 3.242 20.553 -2.502) 20.957 7.100 ( 6.727 4.987 5.019) 9.763 7.154 ( 10.787 -7.172 0.636) 12.969 7.197 ( 7.233 3.721 5.101) 9.601 7.318 ( 36.766 -12.528 0.118) 38.842 7.550 ( 22.271 5.031 -1.171) 22.862 7.869 ( 3.316 9.258 -5.496) 11.266 7.925 ( 7.012 -2.672 -4.556) 8.779 7.983 ( 11.131 4.939 3.368) 12.634 8.290 ( 4.695 -3.750 1.327) 6.153 8.373 ( -1.068 -2.125 -1.080) 2.612 8.496 ( -2.583 0.197 -0.138) 2.594 8.541 ( -4.292 -1.678 2.604) 5.293 8.721 ( 2.771 -1.208 4.879) 5.739 8.777 ( -7.755 1.087 -2.433) 8.200 8.909 ( -10.551 -4.817 0.206) 11.600 9.159 ( -3.564 -13.892 -1.770) 14.450 9.341 ( -7.516 -27.688 0.977) 28.707 9.469 ( -3.531 -15.242 -1.320) 15.701 9.580 ( 2.804 -10.819 0.231) 11.179 9.704 ( 2.207 -12.682 -1.400) 12.948 10.174 ( -27.066 -9.340 -2.556) 28.746 10.287 ( -25.226 -14.097 0.491) 28.902 10.556 ( -19.857 -6.976 -0.171) 21.048 10.757 ( -25.958 -8.866 -0.191) 27.431 10.968 ( 2.152 1.053 0.832) 2.536 11.074 ( -0.120 -2.445 1.740) 3.003 11.158 ( 0.640 4.449 2.258) 5.030 11.246 ( 3.098 1.348 -4.562) 5.677 11.479 ( -0.441 -1.270 3.909) 4.133 11.546 ( 7.062 -3.302 2.815) 8.289 11.734 ( 4.286 4.460 -4.882) 7.880 11.834 ( 0.858 -3.742 -1.588) 4.155 12.075 ( 12.324 9.226 0.486) 15.402 12.127 ( 8.758 9.644 6.568) 14.589 12.211 ( 5.037 5.593 3.233) 8.191 12.403 ( 2.727 3.561 0.593) 4.525 12.500 ( 6.821 2.774 -3.421) 8.119 12.602 ( -2.718 4.555 0.568) 5.335 12.663 ( -1.771 2.418 -0.934) 3.140 12.888 ( 7.262 -1.534 4.662) 8.765 13.349 ( 1.738 4.886 -0.882) 5.260 13.391 ( 6.513 8.232 -2.373) 10.762 13.627 ( 5.928 7.475 0.342) 9.547 13.706 ( -1.925 8.774 -4.709) 10.142 13.966 ( -2.166 9.061 1.690) 9.468 14.113 ( -3.930 4.883 -8.340) 10.433 14.149 ( 2.072 -0.487 -3.713) 4.280 14.245 ( 2.900 1.019 -0.119) 3.076 14.482 ( -5.284 -1.622 -0.014) 5.527 14.614 ( -8.102 -5.572 0.024) 9.833 14.758 ( -4.879 5.708 5.229) 9.151 14.960 ( -4.973 -3.172 0.946) 5.974 15.072 ( -1.034 5.191 3.611) 6.408 15.211 ( -4.820 -0.268 -1.675) 5.110 15.305 ( 9.789 9.347 1.825) 13.657 15.413 ( -2.815 -4.397 0.422) 5.238 15.620 ( 2.399 -13.896 -1.003) 14.137 15.724 ( 1.553 -4.809 0.746) 5.109 15.839 ( 2.415 -1.443 -2.915) 4.051 15.925 ( -1.042 -2.725 -8.007) 8.522 16.137 ( -0.502 1.850 -4.377) 4.779 16.170 ( -1.737 -1.158 -0.936) 2.288 16.291 ( -0.921 1.309 5.769) 5.987 16.381 ( -1.858 -5.684 0.303) 5.988 16.554 ( 1.447 2.828 2.617) 4.116 16.787 ( -3.769 -5.042 -0.486) 6.313 16.955 ( 3.306 2.668 3.555) 5.539 17.269 ( 6.417 -6.594 1.246) 9.285 17.596 ( 0.324 -1.696 1.811) 2.502 17.690 ( 3.466 -7.288 0.510) 8.087 17.837 ( 1.545 -5.971 2.793) 6.771 18.020 ( 0.808 -10.769 -0.609) 10.816 18.759 ( -2.100 3.831 1.649) 4.669 18.784 ( -2.384 2.967 -0.975) 3.929 19.096 ( -0.217 6.324 -0.946) 6.398 19.239 ( 0.922 0.470 0.246) 1.064 19.516 ( 4.830 0.771 2.734) 5.603 19.537 ( 3.582 -1.668 3.046) 4.989 19.874 ( -1.941 -5.229 -1.062) 5.678 19.892 ( -1.935 -5.118 -3.533) 6.513 20.715 ( -3.983 2.586 -8.273) 9.539 20.890 ( 1.480 -4.758 -1.067) 5.096 21.158 ( -3.507 2.904 -1.428) 4.772 21.291 ( 1.786 -0.814 2.466) 3.152 23.830 ( -0.762 3.331 1.348) 3.674 23.930 ( 0.249 -0.408 -1.717) 1.783 24.310 ( -0.188 4.416 -1.009) 4.534 24.377 ( -0.094 1.590 -3.899) 4.212 24.814 ( -1.662 3.136 2.574) 4.385 24.979 ( 0.490 -2.877 1.304) 3.196 25.416 ( 4.242 3.400 -2.520) 5.992 25.529 ( 5.667 -0.601 -0.060) 5.699 25.931 ( -9.182 3.942 -3.738) 10.669 26.050 ( -5.976 -2.732 4.074) 7.731 26.645 ( 0.982 5.534 10.670) 12.060 26.780 ( 4.312 4.420 8.691) 10.661 27.304 ( 0.639 1.757 -9.057) 9.247 27.452 ( 1.706 -1.953 -9.243) 9.600 28.106 ( -4.531 5.271 3.260) 7.678 28.190 ( -1.532 2.076 2.426) 3.542 28.963 ( -4.107 2.040 6.645) 8.074 29.155 ( -4.528 -6.383 4.721) 9.140 29.455 ( -0.743 1.635 -6.229) 6.482 29.579 ( 2.160 -1.025 -4.080) 4.729 29.788 ( -0.588 6.391 -2.712) 6.967 29.957 ( 1.378 2.194 -0.133) 2.594 30.139 ( 4.789 -7.060 -2.084) 8.782 30.151 ( 8.166 -6.577 4.278) 11.325 31.526 ( 1.853 2.034 0.651) 2.828 31.619 ( 1.228 -0.773 2.870) 3.216 31.695 ( 5.169 -1.982 -0.040) 5.536 31.734 ( 1.314 -3.479 -2.429) 4.442 32.214 ( -4.764 3.533 0.929) 6.003 32.309 ( -1.635 -1.157 -1.928) 2.780 32.586 ( -6.358 -2.358 1.880) 7.037 32.658 ( -5.142 -5.468 -1.450) 7.645 33.519 ( 1.291 10.826 2.910) 11.284 33.642 ( 1.777 6.712 -2.259) 7.302 33.861 ( -0.833 2.401 0.023) 2.542 33.999 ( 1.537 -1.492 0.785) 2.281 34.105 ( -3.403 3.239 -1.176) 4.843 34.300 ( 0.875 -3.586 0.709) 3.758 34.416 ( -0.961 0.356 -0.194) 1.043 34.557 ( 0.430 -4.439 -0.979) 4.566 35.553 ( 2.232 10.619 0.898) 10.888 35.685 ( 4.348 11.170 -3.391) 12.457 35.880 ( -2.056 -4.166 4.968) 6.802 36.053 ( 0.605 -5.827 -3.988) 7.087 91.137 ( -0.820 7.070 -0.257) 7.122 91.182 ( 0.634 5.713 0.844) 5.810 91.471 ( -0.273 -8.170 1.231) 8.267 91.494 ( 0.270 -9.805 0.765) 9.839 93.881 ( -1.030 7.540 -0.482) 7.625 93.978 ( 1.824 10.751 0.743) 10.930 94.157 ( -2.948 -5.356 2.246) 6.513 94.429 ( 2.270 -7.219 -2.120) 7.859 94.875 ( 1.293 -6.676 3.272) 7.546 94.919 ( 2.491 -6.295 -4.277) 8.008 95.703 ( -2.693 -10.043 8.222) 13.256 95.823 ( -3.150 -15.518 -6.422) 17.088 98.047 ( -1.113 1.952 1.226) 2.560 98.068 ( -0.923 1.008 -0.000) 1.367 99.143 ( -1.562 4.951 -0.050) 5.192 99.229 ( -1.348 -0.078 -0.914) 1.630 102.469 ( -0.065 1.076 -0.165) 1.090 102.483 ( 0.304 0.448 0.167) 0.566 102.907 ( -0.129 2.891 -0.054) 2.894 102.956 ( -0.149 0.255 -0.048) 0.299 107.579 ( -0.094 0.428 -0.016) 0.439 107.596 ( 0.351 -0.361 0.091) 0.512 107.753 ( 0.505 -0.363 0.222) 0.660 107.769 ( 0.754 -1.164 -0.300) 1.419 ======================= Grid point 134 (66/126) ======================= q-point: ( 0.38 0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( -4.856 1.178 0.282) 5.005 3.049 ( -32.596 -20.375 -2.572) 38.526 3.364 ( -6.272 10.188 -0.759) 11.988 3.814 ( -32.124 -9.858 -2.360) 33.685 4.167 ( -2.826 14.954 -9.599) 17.994 4.282 ( 4.683 19.449 -15.518) 25.318 4.941 ( -7.823 -2.223 15.345) 17.367 5.391 ( 1.432 -8.219 2.798) 8.800 5.521 ( -3.523 9.802 7.825) 13.028 6.083 ( -5.081 -9.241 -5.080) 11.706 6.298 ( -0.966 -7.348 4.331) 8.584 6.388 ( 7.152 14.690 -0.181) 16.339 6.594 ( 8.967 13.954 -1.871) 16.692 6.702 ( 26.618 40.020 -2.479) 48.127 6.885 ( 3.834 27.158 1.682) 27.479 6.959 ( 5.706 28.027 1.635) 28.649 7.180 ( 1.414 4.161 6.331) 7.707 7.313 ( 10.732 4.497 -1.705) 11.760 7.389 ( 9.835 2.035 4.789) 11.126 7.696 ( 7.617 4.039 -2.686) 9.031 7.787 ( 5.281 3.467 1.641) 6.527 7.927 ( 2.308 0.930 -0.497) 2.537 8.038 ( 11.469 -6.051 -0.529) 12.978 8.135 ( 3.697 -2.347 1.424) 4.605 8.298 ( -0.436 0.863 -0.391) 1.043 8.394 ( 1.345 0.780 -0.118) 1.560 8.487 ( 14.146 -2.989 -2.080) 14.608 8.614 ( 1.125 -0.631 3.334) 3.575 8.669 ( 2.749 -2.317 0.007) 3.595 8.759 ( 5.503 -5.736 0.281) 7.954 8.879 ( -2.167 -2.792 4.420) 5.660 9.013 ( -8.396 -12.600 -5.081) 15.971 9.211 ( -12.070 -26.806 0.226) 29.399 9.442 ( 0.061 -21.310 -0.746) 21.323 9.561 ( -13.033 -9.652 -0.495) 16.226 9.717 ( 2.506 -11.549 -1.469) 11.909 9.731 ( -17.047 -12.674 -2.222) 21.358 10.032 ( -12.256 -25.813 0.561) 28.581 10.278 ( -17.732 -11.444 0.886) 21.123 10.383 ( -21.612 -11.113 -1.093) 24.327 10.991 ( 1.412 1.311 -0.688) 2.046 11.073 ( -0.361 -0.406 -1.876) 1.953 11.144 ( -0.497 2.303 -4.488) 5.069 11.244 ( 1.039 -0.914 -1.687) 2.182 11.496 ( 2.898 3.493 -2.815) 5.341 11.676 ( 4.471 -1.020 1.717) 4.897 11.721 ( 1.436 -1.598 -1.268) 2.495 11.860 ( 3.805 -5.632 -0.914) 6.859 12.177 ( 6.230 9.903 -0.231) 11.702 12.279 ( 1.108 6.632 1.021) 6.801 12.344 ( -1.280 6.058 1.878) 6.471 12.409 ( 3.647 7.423 2.074) 8.526 12.508 ( 1.139 -0.144 1.165) 1.635 12.591 ( -6.650 0.964 -0.554) 6.742 12.710 ( 11.376 12.517 3.984) 17.377 13.046 ( 1.452 7.451 2.646) 8.040 13.398 ( 3.395 10.918 0.372) 11.440 13.498 ( 8.549 5.441 -0.158) 10.134 13.592 ( -0.446 8.337 2.078) 8.604 13.736 ( 4.076 1.301 -2.930) 5.186 13.930 ( -8.107 1.802 0.280) 8.310 13.979 ( -0.213 10.178 -0.554) 10.195 14.136 ( 4.478 0.523 -2.302) 5.062 14.320 ( 2.499 -1.118 3.252) 4.251 14.445 ( -2.780 -3.620 0.410) 4.583 14.489 ( -4.655 -0.281 0.011) 4.664 14.736 ( -10.282 7.505 6.632) 14.354 14.958 ( 1.338 -2.749 1.324) 3.331 15.058 ( -2.590 4.007 2.068) 5.200 15.118 ( -6.168 -1.640 0.542) 6.405 15.388 ( 0.806 -7.813 -4.449) 9.027 15.499 ( 8.998 7.992 5.375) 13.181 15.580 ( -1.114 -7.722 -3.553) 8.573 15.753 ( -2.686 -4.931 -3.246) 6.486 15.771 ( -1.177 0.951 -4.528) 4.774 15.864 ( 1.530 -3.121 1.171) 3.668 16.123 ( 2.577 0.614 -0.550) 2.706 16.137 ( 1.336 -1.958 -1.009) 2.576 16.319 ( -1.166 0.237 -1.067) 1.598 16.381 ( -3.037 -0.626 5.008) 5.890 16.616 ( 3.267 -2.676 -0.177) 4.227 16.731 ( -1.451 -4.550 -2.558) 5.418 17.024 ( 1.848 0.806 1.719) 2.650 17.331 ( -0.301 -10.457 1.592) 10.582 17.603 ( -0.308 -2.313 0.624) 2.415 17.713 ( 3.079 -6.682 -4.449) 8.598 17.883 ( 2.688 -6.216 -1.602) 6.960 17.977 ( 0.146 -9.328 -7.601) 12.034 18.743 ( -1.905 3.128 0.246) 3.670 18.769 ( -1.329 1.014 3.250) 3.655 19.108 ( 0.328 6.930 2.186) 7.274 19.257 ( 0.121 0.789 1.282) 1.510 19.606 ( 1.297 2.617 -0.010) 2.921 19.632 ( 2.300 1.909 1.279) 3.251 19.796 ( 0.602 -4.420 -4.144) 6.089 19.823 ( -1.287 -9.089 -0.869) 9.221 20.640 ( 0.385 5.856 1.625) 6.090 20.907 ( -0.611 -2.562 3.914) 4.718 21.133 ( -1.786 0.473 2.607) 3.196 21.343 ( -0.116 -3.027 2.899) 4.193 23.835 ( -0.785 3.194 1.021) 3.444 23.915 ( 0.617 -0.095 -1.093) 1.259 24.324 ( -0.015 4.300 4.027) 5.892 24.378 ( -0.068 1.099 3.708) 3.868 24.832 ( -0.749 4.626 1.524) 4.928 24.975 ( -0.797 0.744 -1.824) 2.126 25.480 ( 7.280 2.716 -0.935) 7.826 25.593 ( 2.625 -0.550 0.465) 2.722 25.750 ( -4.187 5.445 -7.068) 9.856 25.946 ( -6.465 -3.790 -3.202) 8.150 26.714 ( -2.316 2.994 -0.136) 3.787 26.892 ( -2.873 -4.440 -9.193) 10.605 27.193 ( 8.178 9.275 4.682) 13.222 27.454 ( 1.660 -2.066 -0.594) 2.716 28.072 ( -4.713 8.473 -0.368) 9.703 28.212 ( -1.936 2.623 5.083) 6.039 28.933 ( -3.757 0.175 -3.323) 5.019 29.079 ( -2.658 -5.944 -6.468) 9.177 29.455 ( -0.220 1.027 6.770) 6.851 29.620 ( 3.073 -4.171 3.356) 6.173 29.731 ( -0.276 6.416 -2.283) 6.816 29.984 ( 3.907 4.401 -2.674) 6.464 30.155 ( 0.993 -7.807 0.038) 7.870 30.298 ( 3.633 -6.490 1.395) 7.568 31.570 ( 2.973 2.316 0.550) 3.808 31.666 ( 0.069 0.055 2.086) 2.088 31.730 ( 2.258 -1.978 -1.516) 3.364 31.758 ( 2.526 -1.466 0.094) 2.922 32.165 ( -3.431 2.301 1.446) 4.377 32.267 ( -0.868 -3.813 -1.208) 4.092 32.513 ( -5.347 -0.217 0.249) 5.357 32.573 ( -3.739 -4.126 -1.212) 5.698 33.556 ( 1.255 7.014 0.408) 7.137 33.653 ( -0.665 4.597 1.408) 4.853 33.858 ( 1.060 6.191 -0.168) 6.283 34.017 ( -0.093 1.911 0.042) 1.914 34.064 ( -1.191 1.895 0.266) 2.254 34.310 ( -0.973 -7.763 1.811) 8.030 34.401 ( 0.640 2.748 -2.096) 3.515 34.549 ( 0.467 -4.266 -1.120) 4.435 35.592 ( 1.308 9.118 0.781) 9.245 35.705 ( 3.694 9.005 -2.821) 10.134 35.904 ( -2.718 -3.064 4.660) 6.205 36.037 ( 1.334 -4.347 -0.881) 4.631 91.124 ( -0.295 7.193 -0.228) 7.202 91.192 ( 0.072 5.639 -0.432) 5.656 91.464 ( -0.271 -7.709 -1.570) 7.871 91.492 ( 0.126 -10.176 -1.548) 10.294 93.867 ( -0.294 7.255 -0.150) 7.263 93.998 ( 0.886 10.818 -1.019) 10.902 94.134 ( -2.303 -5.367 0.727) 5.885 94.424 ( 1.972 -5.414 -3.745) 6.872 94.845 ( 1.075 -5.646 -4.939) 7.578 95.030 ( 1.860 -11.283 10.742) 15.689 95.652 ( -1.987 -7.272 -6.985) 10.277 95.782 ( -2.606 -14.207 3.607) 14.888 98.034 ( -0.922 2.125 -0.806) 2.453 98.054 ( -0.635 1.109 -0.376) 1.333 99.135 ( -0.192 4.951 0.828) 5.023 99.200 ( -1.718 1.150 0.244) 2.081 102.468 ( 0.053 1.196 -0.007) 1.197 102.487 ( 0.092 0.336 0.006) 0.348 102.911 ( 0.754 2.622 -0.081) 2.729 102.949 ( -0.892 0.589 0.163) 1.081 107.579 ( -0.031 0.526 0.160) 0.551 107.601 ( 0.181 -0.464 0.023) 0.498 107.761 ( 0.295 -0.615 0.145) 0.697 107.776 ( 0.599 -1.348 -0.238) 1.494 ======================= Grid point 135 (67/126) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( -6.471 -10.053 -2.074) 12.134 2.717 ( 6.946 -15.666 -2.519) 17.321 3.373 ( 1.154 0.413 -3.841) 4.032 3.415 ( -4.381 -1.581 -7.331) 8.685 3.928 ( -10.715 19.673 -10.391) 24.694 4.166 ( 15.828 24.146 -19.355) 34.758 5.050 ( -6.937 -11.418 14.262) 19.542 5.489 ( 3.730 -11.792 6.224) 13.846 5.698 ( 3.990 7.811 15.501) 17.811 5.978 ( 0.568 -5.928 -3.916) 7.127 6.258 ( -4.736 5.159 0.829) 7.052 6.416 ( 2.794 -8.994 -3.267) 9.968 6.711 ( -0.141 32.833 7.215) 33.617 6.929 ( 1.823 27.518 1.326) 27.610 6.968 ( 0.974 33.258 1.449) 33.304 7.037 ( 0.543 24.138 5.097) 24.677 7.324 ( -2.081 10.896 1.297) 11.169 7.409 ( -1.568 4.886 1.956) 5.492 7.485 ( -5.732 20.772 -1.927) 21.635 7.619 ( 4.551 9.650 4.157) 11.450 7.791 ( -9.858 0.327 -3.438) 10.445 7.895 ( 7.107 1.483 0.979) 7.326 8.099 ( 0.548 -1.613 -1.522) 2.285 8.188 ( 8.630 -3.865 2.398) 9.755 8.316 ( -0.573 4.583 -3.580) 5.844 8.378 ( -8.403 -2.833 2.573) 9.233 8.626 ( 4.546 -0.551 -3.918) 6.027 8.664 ( -1.702 -0.461 1.921) 2.608 8.678 ( -6.334 -11.091 -1.625) 12.875 8.877 ( 1.046 -11.960 -1.351) 12.082 8.949 ( -0.906 -15.625 0.686) 15.666 9.010 ( -5.481 -25.929 -0.205) 26.503 9.072 ( -3.340 -10.176 1.367) 10.797 9.150 ( 12.705 -12.307 -0.413) 17.693 9.541 ( -1.496 -16.860 1.943) 17.037 9.680 ( 7.697 -4.367 3.305) 9.447 9.749 ( -0.863 -18.150 -1.455) 18.228 9.970 ( 1.116 -24.363 3.161) 24.592 10.107 ( -1.130 -8.493 -5.146) 9.995 10.174 ( -2.378 -22.499 -0.800) 22.638 10.977 ( -0.073 3.577 -5.642) 6.681 11.035 ( 2.140 0.962 -2.684) 3.565 11.079 ( -1.800 -0.818 -2.450) 3.148 11.190 ( 1.002 -4.948 -8.693) 10.053 11.511 ( 0.481 7.794 -0.260) 7.813 11.661 ( 0.342 1.972 -1.570) 2.544 11.799 ( -1.476 -4.928 2.321) 5.644 11.862 ( 2.128 -9.527 -2.293) 10.028 12.232 ( -1.676 8.965 0.295) 9.125 12.283 ( 4.697 7.415 -0.399) 8.787 12.313 ( -4.740 8.824 1.643) 10.150 12.407 ( -10.779 2.676 -2.713) 11.433 12.502 ( 7.526 4.487 0.656) 8.787 12.644 ( 1.768 -1.410 9.528) 9.793 12.901 ( -13.903 13.726 -1.413) 19.588 12.914 ( 6.744 12.139 -2.242) 14.066 13.481 ( 3.475 19.520 4.875) 20.417 13.541 ( -3.135 2.753 -0.886) 4.265 13.662 ( -5.435 1.789 1.767) 5.988 13.761 ( 11.644 0.450 0.004) 11.652 13.895 ( -0.423 3.919 4.845) 6.246 14.029 ( 2.384 7.880 2.752) 8.680 14.219 ( 6.843 -0.880 0.143) 6.901 14.359 ( -0.985 -4.691 4.251) 6.407 14.424 ( -2.158 1.260 4.207) 4.893 14.517 ( 4.636 0.912 0.753) 4.785 14.639 ( -10.680 10.215 4.354) 15.406 14.982 ( -1.306 0.027 1.280) 1.829 15.047 ( -4.379 -1.849 1.603) 5.016 15.126 ( 4.455 0.153 4.274) 6.175 15.287 ( -1.022 -6.294 -8.323) 10.485 15.565 ( -0.299 -2.355 2.079) 3.156 15.593 ( -3.173 -7.086 -7.871) 11.056 15.647 ( 3.051 2.310 1.107) 3.984 15.782 ( 3.304 1.494 -0.333) 3.641 15.939 ( 4.844 0.149 4.541) 6.641 16.149 ( 1.202 -3.178 -2.183) 4.039 16.180 ( 2.279 -2.488 1.963) 3.903 16.289 ( -2.119 2.117 1.883) 3.538 16.367 ( -2.390 5.975 -0.850) 6.491 16.623 ( -0.838 -7.302 -0.798) 7.393 16.682 ( 0.475 -3.393 -4.281) 5.483 17.031 ( -3.860 -2.776 -0.262) 4.761 17.311 ( -1.012 -15.073 -2.725) 15.351 17.616 ( 0.126 -2.865 1.542) 3.256 17.663 ( -0.014 -6.424 -7.004) 9.504 17.851 ( -0.961 -4.033 -6.812) 7.974 17.875 ( 2.741 -7.260 -7.556) 10.831 18.737 ( -0.753 2.883 1.875) 3.521 18.798 ( -0.317 -0.261 2.809) 2.839 19.148 ( -0.355 6.755 3.794) 7.756 19.266 ( -0.843 1.758 0.800) 2.108 19.545 ( -1.932 1.253 -5.091) 5.588 19.567 ( -3.153 2.745 -4.551) 6.179 19.843 ( 2.327 -7.362 2.068) 7.994 19.869 ( 3.678 -6.089 2.231) 7.455 20.765 ( 5.052 5.242 10.846) 13.062 20.983 ( 0.214 -1.324 8.233) 8.341 21.158 ( -0.745 0.848 4.086) 4.239 21.342 ( -3.120 -2.134 0.078) 3.781 23.838 ( -0.737 2.599 1.492) 3.086 23.922 ( 1.228 -0.536 -0.107) 1.345 24.409 ( -0.840 3.584 8.730) 9.474 24.451 ( 0.638 1.068 6.766) 6.879 24.807 ( -2.820 4.889 0.334) 5.653 24.943 ( 0.787 0.847 -1.771) 2.115 25.572 ( 5.558 4.177 -4.076) 8.059 25.606 ( -0.151 1.440 1.660) 2.203 25.664 ( 0.636 1.807 -3.379) 3.885 25.816 ( -0.370 -5.022 -9.566) 10.810 26.531 ( -5.798 4.295 -13.428) 15.244 26.705 ( -3.020 -1.196 -9.897) 10.416 27.478 ( 1.114 2.109 4.210) 4.839 27.497 ( 10.913 1.801 11.253) 15.778 27.958 ( -4.064 10.731 -5.508) 12.728 28.227 ( -4.699 -0.985 2.267) 5.309 28.811 ( -1.318 1.084 -6.595) 6.813 28.980 ( 0.449 -5.908 -5.761) 8.264 29.568 ( 0.860 -0.031 9.002) 9.044 29.683 ( -0.483 -3.060 2.878) 4.229 29.772 ( 4.062 6.718 3.031) 8.415 29.958 ( -1.056 6.934 -5.673) 9.021 30.191 ( 2.651 -9.600 1.991) 10.157 30.284 ( -3.652 -7.075 -2.702) 8.408 31.605 ( -0.974 2.402 1.211) 2.861 31.666 ( -1.415 -1.072 0.539) 1.855 31.749 ( 0.220 -1.349 -0.347) 1.410 31.775 ( 1.406 0.186 -0.159) 1.427 32.147 ( -2.163 1.296 1.846) 3.125 32.283 ( 3.769 -5.880 0.794) 7.029 32.445 ( -2.738 1.665 -1.658) 3.608 32.535 ( 1.476 -3.592 -1.547) 4.180 33.571 ( -1.374 6.176 1.143) 6.429 33.647 ( 0.066 3.582 -0.131) 3.585 33.883 ( 0.525 6.097 1.455) 6.290 34.005 ( -0.637 2.675 -0.863) 2.882 34.077 ( 0.815 2.000 2.269) 3.132 34.323 ( -0.972 -6.813 1.715) 7.092 34.380 ( 0.902 1.894 -2.378) 3.171 34.542 ( 0.850 -4.496 -1.488) 4.811 35.606 ( -0.508 8.317 0.706) 8.362 35.714 ( 2.100 7.565 -2.549) 8.255 35.921 ( -3.699 -1.563 4.890) 6.328 36.062 ( 2.407 -4.251 0.614) 4.924 91.124 ( 0.306 6.679 0.100) 6.687 91.173 ( -0.458 5.228 -1.703) 5.517 91.427 ( -0.355 -6.811 -3.342) 7.595 91.462 ( 0.156 -9.186 -3.172) 9.719 93.870 ( 0.405 6.894 0.450) 6.920 93.977 ( -0.215 9.704 -2.597) 10.048 94.117 ( -1.255 -4.176 0.542) 4.394 94.387 ( 1.935 -6.853 -6.244) 9.471 94.831 ( 0.255 0.624 1.676) 1.806 95.173 ( -1.011 -12.173 8.675) 14.982 95.548 ( -0.986 -6.699 -5.762) 8.891 95.788 ( 0.910 -15.795 0.233) 15.822 98.010 ( -0.252 2.286 -1.369) 2.676 98.038 ( -0.082 0.903 -1.342) 1.619 99.149 ( -0.387 4.638 1.521) 4.897 99.197 ( 0.615 2.018 0.846) 2.273 102.470 ( 0.108 1.140 0.170) 1.158 102.486 ( -0.107 0.447 -0.166) 0.489 102.923 ( 0.338 1.932 0.240) 1.976 102.937 ( -0.313 1.200 -0.059) 1.242 107.582 ( -0.029 0.467 0.334) 0.574 107.602 ( -0.056 -0.413 -0.068) 0.422 107.764 ( -0.182 -0.708 0.097) 0.737 107.779 ( 0.244 -1.460 -0.209) 1.495 ======================= Grid point 136 (68/126) ======================= q-point: (-0.38 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 2.839 6.475 -2.401) 7.467 2.993 ( 23.532 -11.882 -8.243) 27.620 3.229 ( 9.552 3.429 -5.700) 11.640 3.524 ( 8.174 10.537 -2.854) 13.638 3.787 ( 14.818 5.701 -6.387) 17.113 4.304 ( 26.965 14.934 -8.343) 31.933 5.069 ( -7.426 -17.917 6.374) 20.415 5.637 ( 6.086 -13.910 4.972) 15.976 5.909 ( 5.595 -1.295 4.123) 7.070 6.044 ( 6.952 8.592 3.802) 11.688 6.219 ( -4.620 9.873 3.924) 11.586 6.440 ( 6.154 6.148 -3.265) 9.291 6.589 ( -27.081 25.837 1.439) 37.457 6.774 ( -27.089 37.386 1.645) 46.198 6.921 ( -10.006 18.386 -1.386) 20.978 7.048 ( -2.693 25.410 3.509) 25.792 7.223 ( -1.266 6.537 6.774) 9.498 7.314 ( -9.782 7.862 3.727) 13.092 7.408 ( -9.057 1.118 2.633) 9.498 7.587 ( -14.657 -1.699 -4.642) 15.468 7.908 ( 4.648 8.293 4.159) 10.377 7.942 ( -2.030 7.061 0.191) 7.349 8.039 ( -9.668 -5.653 -2.226) 11.419 8.151 ( -8.538 -6.182 2.629) 10.864 8.315 ( 9.721 0.443 -4.817) 10.859 8.388 ( 5.088 -4.375 3.603) 7.616 8.444 ( -8.737 -8.458 -1.331) 12.233 8.580 ( -18.457 -7.626 2.706) 20.153 8.609 ( -8.419 -0.584 -4.978) 9.798 8.777 ( 0.720 -2.541 2.106) 3.378 8.811 ( 3.105 -3.446 0.878) 4.721 9.093 ( 10.758 -4.644 -1.272) 11.786 9.171 ( 11.620 -26.361 -0.566) 28.814 9.481 ( -2.759 -18.309 0.318) 18.519 9.583 ( 6.401 -12.392 0.228) 13.949 9.717 ( 6.551 -7.698 -2.131) 10.331 9.809 ( 12.245 -16.064 0.730) 20.212 10.060 ( 6.519 -28.465 1.295) 29.231 10.254 ( 25.033 -8.416 0.128) 26.410 10.330 ( 22.949 -12.572 -1.644) 26.218 10.877 ( -1.236 4.296 -6.894) 8.217 11.024 ( -1.588 -0.740 -1.269) 2.163 11.059 ( 0.869 -2.222 -1.960) 3.088 11.097 ( 5.627 -3.622 -9.013) 11.226 11.476 ( -5.205 3.961 0.990) 6.615 11.650 ( -6.608 0.981 0.280) 6.686 11.728 ( 1.393 -3.551 -2.224) 4.416 11.890 ( -0.636 -3.433 -0.099) 3.493 12.168 ( -7.882 6.001 -1.128) 9.971 12.228 ( -7.342 4.078 0.663) 8.425 12.256 ( -7.837 11.117 1.034) 13.640 12.361 ( 3.499 6.796 0.291) 7.650 12.601 ( -7.391 9.001 0.636) 11.664 12.650 ( 2.757 7.657 1.771) 8.328 12.805 ( 1.474 -1.205 -1.002) 2.151 12.914 ( -4.696 -0.255 5.465) 7.210 13.432 ( -9.866 13.452 -0.233) 16.684 13.563 ( 1.609 8.701 -0.461) 8.860 13.655 ( 0.695 12.878 5.446) 13.999 13.876 ( -4.301 2.588 1.794) 5.331 13.908 ( 2.576 1.504 0.420) 3.013 14.135 ( 6.468 6.277 1.087) 9.079 14.267 ( -0.729 1.673 -0.381) 1.864 14.409 ( 2.489 -7.534 -0.833) 7.978 14.501 ( 1.503 -1.407 5.533) 5.904 14.552 ( -2.041 10.194 6.466) 12.243 14.689 ( 7.536 0.403 7.281) 10.487 14.941 ( -6.681 -5.300 2.279) 8.828 14.970 ( -1.945 8.455 -7.017) 11.158 15.209 ( 3.901 -3.587 -0.654) 5.340 15.314 ( 7.665 -3.681 3.156) 9.070 15.434 ( -4.789 -1.255 -4.648) 6.791 15.617 ( 0.947 -3.418 2.764) 4.497 15.703 ( 1.668 -1.173 4.898) 5.305 15.801 ( 3.384 2.911 -4.809) 6.562 16.066 ( 0.531 2.573 -4.985) 5.635 16.120 ( 3.509 -4.095 3.655) 6.515 16.215 ( 0.252 -4.469 -2.263) 5.015 16.267 ( -2.457 5.716 4.043) 7.420 16.379 ( 1.903 5.962 2.645) 6.794 16.575 ( -2.234 -5.538 -3.226) 6.788 16.654 ( 1.028 -6.869 -0.816) 6.993 16.907 ( -7.561 -5.100 -3.145) 9.647 17.234 ( -0.171 -15.867 -7.760) 17.664 17.510 ( -7.239 -2.160 -7.936) 10.957 17.639 ( -2.122 -4.466 2.922) 5.743 17.792 ( 0.829 -5.833 -8.717) 10.521 17.838 ( 4.192 -5.637 0.184) 7.027 18.765 ( 0.373 2.685 2.727) 3.845 18.823 ( 0.214 0.146 1.014) 1.047 19.191 ( -0.146 5.399 3.884) 6.653 19.263 ( -0.215 2.253 0.418) 2.301 19.476 ( -1.264 1.011 -2.235) 2.759 19.488 ( -1.123 2.036 -1.848) 2.970 19.871 ( -0.816 -5.826 -0.222) 5.887 19.907 ( 0.072 -6.902 -0.623) 6.930 21.003 ( 3.173 1.695 12.039) 12.565 21.086 ( -0.828 -2.813 7.386) 7.947 21.220 ( 3.014 2.890 3.593) 5.508 21.275 ( -1.639 1.775 -1.982) 3.125 23.850 ( -0.986 1.758 2.142) 2.941 23.936 ( 0.730 -1.050 -0.380) 1.334 24.474 ( -1.893 3.215 5.287) 6.471 24.553 ( 3.199 -0.645 4.558) 5.606 24.843 ( -0.810 4.719 9.931) 11.025 24.974 ( 1.066 -1.148 5.311) 5.538 25.515 ( 1.286 3.947 -9.542) 10.406 25.576 ( -4.583 1.507 -9.479) 10.636 25.634 ( 0.099 0.868 -10.071) 10.109 25.685 ( 1.776 -0.952 -2.930) 3.556 26.406 ( 3.308 2.541 -1.827) 4.554 26.525 ( -1.979 -0.674 -9.745) 9.966 27.511 ( -5.572 8.013 2.733) 10.136 27.695 ( 2.475 1.355 -0.044) 2.821 27.963 ( 8.894 3.953 5.576) 11.217 28.123 ( -2.618 -2.660 -5.429) 6.588 28.791 ( 1.984 2.410 1.869) 3.638 28.937 ( 1.331 -4.431 -4.008) 6.122 29.668 ( -0.016 0.480 3.417) 3.451 29.711 ( 0.583 1.264 0.613) 1.521 29.796 ( -4.707 5.656 -0.960) 7.420 29.891 ( 1.896 2.715 -1.551) 3.657 30.170 ( -5.914 -6.321 -1.227) 8.742 30.260 ( 1.966 -8.703 2.163) 9.180 31.567 ( -4.806 3.052 0.644) 5.729 31.634 ( -4.277 -1.372 0.633) 4.536 31.751 ( 0.625 -2.291 -0.217) 2.385 31.781 ( -1.074 -2.451 0.392) 2.704 32.159 ( 1.016 3.653 1.374) 4.033 32.368 ( 1.207 -4.278 3.324) 5.550 32.405 ( 5.250 1.309 -4.330) 6.930 32.579 ( 6.483 -4.752 -1.233) 8.132 33.525 ( -5.234 8.766 0.254) 10.213 33.683 ( 3.543 1.588 0.699) 3.945 33.897 ( -1.669 3.836 2.002) 4.638 33.982 ( -0.425 1.342 -1.155) 1.821 34.137 ( 1.773 3.061 3.561) 5.020 34.297 ( -0.926 1.570 -3.257) 3.732 34.387 ( 0.354 -4.583 1.482) 4.830 34.534 ( 1.129 -5.249 -2.243) 5.819 35.598 ( -2.249 8.597 1.112) 8.955 35.702 ( 0.925 7.119 -2.521) 7.609 35.912 ( -4.984 0.307 3.728) 6.231 36.120 ( 3.590 -5.746 1.224) 6.885 91.126 ( -0.377 5.715 -0.622) 5.761 91.152 ( 0.651 4.744 -0.769) 4.849 91.375 ( -0.742 -5.819 -3.316) 6.739 91.424 ( 0.295 -7.363 -3.125) 8.005 93.881 ( -0.063 6.313 0.141) 6.315 93.945 ( 0.412 9.034 -1.818) 9.224 94.106 ( -1.349 -3.317 0.611) 3.632 94.337 ( 2.555 -7.662 -6.100) 10.121 94.890 ( 0.127 4.491 6.714) 8.079 95.186 ( -3.273 -3.076 -1.125) 4.630 95.464 ( -5.546 -9.609 -1.134) 11.152 95.847 ( 7.477 -22.197 -0.403) 23.426 97.995 ( 0.265 2.111 -0.858) 2.294 98.023 ( 0.744 0.781 -1.575) 1.909 99.162 ( -0.175 5.130 1.488) 5.345 99.232 ( 2.427 1.185 0.639) 2.775 102.475 ( 0.064 0.935 0.241) 0.968 102.480 ( -0.219 0.675 -0.241) 0.749 102.914 ( -1.033 2.508 -0.026) 2.713 102.951 ( 1.261 0.509 0.206) 1.375 107.586 ( -0.087 0.277 0.401) 0.496 107.598 ( -0.261 -0.249 -0.144) 0.388 107.758 ( -0.652 -0.565 0.055) 0.864 107.778 ( -0.098 -1.462 -0.165) 1.474 ======================= Grid point 137 (69/126) ======================= q-point: (-0.25 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( 8.811 26.522 -0.178) 27.948 3.090 ( 16.449 25.523 -4.956) 30.766 3.498 ( 20.705 -1.233 -1.640) 20.806 3.746 ( 28.361 6.878 -0.568) 29.189 4.127 ( 36.070 -15.052 -2.545) 39.168 4.706 ( 36.255 -2.872 -1.761) 36.411 5.040 ( -3.514 -11.729 2.806) 12.562 5.730 ( -6.634 -0.757 2.396) 7.093 5.879 ( -25.862 24.501 -0.870) 35.636 6.069 ( 3.451 -1.830 -2.986) 4.917 6.116 ( -22.123 25.049 -0.146) 33.420 6.331 ( -0.228 0.277 3.231) 3.251 6.377 ( -8.827 14.173 0.909) 16.721 6.552 ( 7.085 10.340 -1.150) 12.587 6.767 ( -12.172 10.848 -0.090) 16.304 7.022 ( -4.001 21.030 -0.876) 21.425 7.141 ( -28.858 -7.699 4.369) 30.185 7.203 ( -26.126 -2.101 -4.049) 26.521 7.255 ( -7.812 4.430 6.297) 10.969 7.370 ( -7.397 1.727 5.501) 9.379 7.541 ( -15.589 6.573 -1.631) 16.996 7.874 ( -14.411 -0.520 -2.341) 14.609 8.059 ( -5.687 -2.522 -2.739) 6.798 8.195 ( 5.324 6.910 7.817) 11.713 8.288 ( -2.442 -2.407 -2.561) 4.280 8.359 ( -2.625 -0.675 -3.762) 4.637 8.390 ( 2.946 -1.195 -1.516) 3.522 8.555 ( 5.539 -5.851 4.562) 9.259 8.646 ( 3.345 -2.048 6.229) 7.361 8.798 ( 4.559 -1.313 -0.691) 4.794 8.923 ( 7.813 -6.143 -1.645) 10.074 9.228 ( 7.271 1.859 0.880) 7.556 9.315 ( 8.754 -23.312 -0.023) 24.901 9.416 ( -2.655 -17.909 -2.530) 18.281 9.527 ( -4.103 -11.719 -0.800) 12.442 9.640 ( -5.379 -20.166 -3.506) 21.164 10.211 ( 21.961 -13.325 -2.647) 25.823 10.281 ( 29.468 -11.572 1.680) 31.703 10.561 ( 15.495 -8.028 -1.370) 17.505 10.679 ( 19.713 -9.744 -3.421) 22.254 10.826 ( 5.294 4.504 0.238) 6.955 11.002 ( -0.444 0.207 0.245) 0.548 11.046 ( 6.396 -4.670 -2.101) 8.193 11.145 ( 6.275 -2.918 -0.067) 6.921 11.416 ( -2.214 -0.241 -1.110) 2.488 11.519 ( -9.214 -2.653 0.991) 9.640 11.747 ( 0.801 0.927 -2.640) 2.910 11.804 ( -9.647 3.881 -1.069) 10.453 12.019 ( -10.681 9.489 -0.135) 14.288 12.105 ( -11.227 11.554 2.980) 16.384 12.185 ( -4.876 1.853 3.054) 6.045 12.369 ( -1.055 7.848 0.427) 7.930 12.515 ( -8.953 1.085 -0.123) 9.019 12.704 ( -2.728 9.499 0.166) 9.885 12.741 ( 1.850 -3.520 -0.761) 4.048 13.013 ( 0.884 -4.976 7.194) 8.792 13.321 ( -2.594 12.525 0.486) 12.800 13.549 ( -4.509 5.004 -0.190) 6.738 13.676 ( 0.105 11.902 -2.292) 12.121 13.858 ( 1.935 4.595 -0.152) 4.988 13.917 ( -2.336 12.179 0.355) 12.406 14.126 ( -3.714 4.218 -4.510) 7.206 14.242 ( -1.272 -0.120 -0.379) 1.332 14.439 ( 2.995 -14.118 -0.334) 14.436 14.580 ( 6.221 5.767 -1.312) 8.584 14.648 ( -1.127 3.309 7.880) 8.621 14.790 ( 0.044 2.982 -7.045) 7.650 14.849 ( -4.440 -4.506 5.592) 8.443 15.039 ( 6.304 1.617 9.930) 11.873 15.227 ( -0.959 -1.138 -2.936) 3.292 15.321 ( 2.402 0.736 -1.588) 2.972 15.502 ( 7.228 -1.540 1.412) 7.524 15.658 ( -0.287 0.073 3.311) 3.324 15.768 ( 2.681 1.014 -7.153) 7.706 15.789 ( -1.248 -2.274 4.073) 4.829 15.972 ( 0.748 -1.898 -4.932) 5.337 16.142 ( -0.799 0.401 -5.717) 5.787 16.204 ( 1.388 -0.619 0.991) 1.815 16.298 ( -0.519 4.789 2.403) 5.383 16.412 ( -0.847 6.407 -2.827) 7.053 16.563 ( 3.353 -5.259 3.277) 7.045 16.673 ( 2.132 -6.375 -0.289) 6.728 16.839 ( -2.806 -4.038 6.208) 7.920 17.148 ( -1.272 -14.583 -1.981) 14.772 17.283 ( -11.483 -0.628 -5.406) 12.707 17.600 ( -4.318 -10.338 -3.389) 11.705 17.693 ( -2.457 0.608 -1.842) 3.130 17.936 ( 6.266 -10.384 0.947) 12.165 18.802 ( -0.116 2.908 1.867) 3.457 18.831 ( 0.761 2.530 -0.162) 2.647 19.259 ( -0.233 3.941 -0.140) 3.951 19.260 ( 2.099 3.296 3.741) 5.410 19.456 ( 0.333 1.004 0.529) 1.183 19.499 ( 2.175 -0.290 2.280) 3.164 19.805 ( -5.282 -3.608 -3.375) 7.232 19.865 ( -2.667 -8.238 -2.483) 9.008 20.952 ( -7.686 5.008 -4.489) 10.213 21.237 ( 3.104 -10.025 5.468) 11.833 21.286 ( 2.347 5.171 0.746) 5.727 21.345 ( 5.571 2.004 4.773) 7.605 23.858 ( -1.096 0.676 1.503) 1.979 23.925 ( -0.438 -0.991 -1.647) 1.971 24.535 ( 2.595 3.943 4.467) 6.498 24.681 ( 6.615 -2.952 5.026) 8.816 24.954 ( -4.067 5.729 10.140) 12.336 25.070 ( -2.449 0.573 2.364) 3.451 25.311 ( -0.167 0.825 -10.127) 10.162 25.353 ( -0.585 -0.831 -17.858) 17.887 25.532 ( -4.885 5.367 -0.468) 7.272 25.701 ( -0.429 -1.922 1.579) 2.524 26.453 ( 4.283 3.402 -0.371) 5.483 26.526 ( 6.679 0.294 2.481) 7.131 27.402 ( -7.359 5.498 -1.739) 9.349 27.595 ( -7.030 -2.524 -7.555) 10.623 28.149 ( 10.821 4.461 1.346) 11.782 28.240 ( 9.882 0.676 10.423) 14.379 28.844 ( 0.346 0.659 -0.160) 0.761 28.895 ( 0.923 -1.969 -4.142) 4.678 29.620 ( -5.792 4.978 -2.970) 8.194 29.642 ( -4.355 1.958 -1.026) 4.884 29.810 ( 1.767 -0.897 1.812) 2.685 29.888 ( -0.895 -2.164 0.071) 2.343 30.129 ( -0.482 -1.873 1.418) 2.398 30.290 ( -0.694 -6.943 0.775) 7.020 31.503 ( -4.363 2.649 0.298) 5.113 31.575 ( -4.515 -1.850 0.817) 4.947 31.740 ( -2.850 -2.555 0.898) 3.931 31.768 ( -0.146 -4.506 -0.776) 4.574 32.195 ( 1.938 5.500 0.421) 5.846 32.378 ( 2.316 7.447 -1.377) 7.920 32.505 ( 7.339 -8.755 0.892) 11.459 32.670 ( 7.187 -6.054 -0.822) 9.433 33.453 ( -4.580 10.921 0.141) 11.843 33.743 ( 2.746 -1.581 1.175) 3.380 33.884 ( -2.944 3.942 1.074) 5.036 33.968 ( -0.232 0.181 -0.244) 0.382 34.190 ( -0.373 4.289 0.645) 4.353 34.251 ( 1.462 3.676 -1.558) 4.252 34.410 ( -0.216 -4.946 1.773) 5.259 34.516 ( 0.923 -6.964 -2.894) 7.597 35.571 ( -3.214 9.659 1.097) 10.239 35.684 ( 1.198 7.401 -2.456) 7.889 35.878 ( -5.100 2.060 2.577) 6.074 36.181 ( 3.216 -7.419 0.043) 8.086 91.108 ( -0.556 4.970 -0.482) 5.025 91.165 ( 1.223 4.365 -0.028) 4.533 91.333 ( -1.059 -5.139 -0.784) 5.305 91.398 ( 0.403 -5.957 -1.509) 6.159 93.866 ( -0.942 6.147 -0.570) 6.245 93.950 ( 1.556 8.370 -0.407) 8.523 94.096 ( -1.806 -3.309 1.589) 4.091 94.316 ( 3.260 -7.497 -3.848) 9.036 94.985 ( -0.345 3.490 7.044) 7.868 95.094 ( -2.237 4.644 -4.812) 7.052 95.357 ( -7.002 -6.591 -0.488) 9.629 95.961 ( 7.411 -29.325 0.021) 30.247 97.995 ( 0.457 1.957 -0.143) 2.015 98.024 ( 1.252 0.472 -0.519) 1.436 99.184 ( 1.148 5.190 0.694) 5.360 99.269 ( 1.887 0.182 -0.069) 1.897 102.472 ( -0.266 0.946 -0.212) 1.005 102.480 ( 0.018 0.625 0.210) 0.659 102.901 ( -0.427 3.236 -0.131) 3.266 102.969 ( 0.817 -0.347 0.188) 0.907 107.589 ( -0.209 0.066 0.232) 0.320 107.592 ( -0.286 -0.061 -0.062) 0.298 107.748 ( -0.826 -0.208 0.056) 0.854 107.773 ( -0.268 -1.382 -0.153) 1.416 ======================= Grid point 138 (70/126) ======================= q-point: (-0.12 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( 0.522 36.670 12.446) 38.728 3.438 ( 32.669 34.772 -1.249) 47.728 3.777 ( 17.504 8.649 0.855) 19.543 4.150 ( 25.090 4.155 0.096) 25.431 4.720 ( 41.708 -28.439 2.188) 50.528 5.020 ( -1.440 -2.956 -1.259) 3.521 5.219 ( 5.038 16.613 -2.285) 17.510 5.338 ( 1.839 5.679 5.890) 8.386 5.514 ( -29.396 29.619 -3.519) 41.879 5.819 ( -3.188 -2.154 -10.853) 11.515 6.075 ( -14.480 -7.536 2.088) 16.457 6.288 ( -8.247 -13.769 -5.271) 16.893 6.434 ( 4.920 -6.883 2.292) 8.766 6.534 ( -21.531 -6.238 1.817) 22.490 6.595 ( -7.836 9.358 1.269) 12.271 6.783 ( -12.549 -0.107 -0.231) 12.551 6.843 ( -6.602 4.749 0.043) 8.132 6.946 ( -4.847 17.747 -1.674) 18.473 7.153 ( -13.537 16.649 0.528) 21.465 7.286 ( -4.802 11.561 3.496) 12.998 7.457 ( -6.411 9.206 -0.068) 11.218 7.664 ( -5.775 0.874 -1.760) 6.100 7.970 ( -0.514 -1.647 -5.152) 5.433 8.207 ( -1.983 -0.471 -5.688) 6.042 8.271 ( -0.699 -2.172 -0.008) 2.282 8.341 ( -0.061 3.820 5.102) 6.374 8.425 ( 2.934 -0.895 -1.579) 3.450 8.651 ( -1.458 1.674 1.562) 2.715 8.757 ( 1.661 -13.642 5.377) 14.757 8.856 ( 2.633 -8.552 -1.253) 9.035 9.014 ( 10.838 2.309 -3.047) 11.493 9.273 ( -1.147 0.246 -2.557) 2.813 9.371 ( 0.985 -21.444 2.667) 21.631 9.444 ( 5.080 -19.924 1.733) 20.634 9.506 ( 0.984 -10.830 0.796) 10.904 9.537 ( -3.233 -21.566 -1.608) 21.866 10.497 ( 21.936 -0.046 -1.709) 22.003 10.628 ( 6.234 -2.023 0.361) 6.564 10.729 ( 21.493 -7.273 -1.558) 22.744 10.811 ( 5.165 -12.773 1.555) 13.865 10.963 ( 3.964 1.850 2.096) 4.851 11.034 ( 3.243 3.229 2.231) 5.091 11.123 ( 3.133 -1.855 -0.482) 3.673 11.292 ( 4.944 -1.887 3.138) 6.152 11.403 ( 4.240 -3.597 -2.450) 6.075 11.460 ( 1.313 -2.268 2.466) 3.598 11.623 ( -11.406 4.332 -1.035) 12.244 11.643 ( -9.784 -0.749 -1.935) 10.002 11.871 ( -8.094 11.599 0.727) 14.163 12.079 ( -1.006 3.632 4.214) 5.654 12.155 ( -3.735 -1.387 1.463) 4.245 12.332 ( -13.248 -4.198 2.828) 14.182 12.369 ( -0.895 13.150 -0.190) 13.181 12.585 ( -9.218 16.425 -2.183) 18.961 12.809 ( 5.195 -7.148 -0.713) 8.865 13.060 ( -1.585 -5.944 -0.091) 6.153 13.352 ( 2.049 10.447 0.723) 10.670 13.459 ( -5.506 4.351 -0.009) 7.018 13.650 ( 4.850 11.176 -6.484) 13.801 13.870 ( -0.908 13.183 -4.617) 13.998 13.889 ( 1.318 5.167 0.899) 5.408 14.008 ( -3.623 5.176 -1.486) 6.491 14.229 ( 0.941 -4.659 -1.271) 4.920 14.441 ( -0.886 -8.633 -2.842) 9.132 14.611 ( 2.172 2.090 -4.985) 5.826 14.651 ( 2.093 -0.161 -0.219) 2.110 14.830 ( -3.215 1.453 10.855) 11.414 14.865 ( 1.123 -2.407 1.767) 3.190 15.143 ( -2.135 0.597 0.898) 2.392 15.200 ( -2.509 -0.565 2.993) 3.947 15.398 ( 5.934 5.331 -1.372) 8.094 15.553 ( 3.594 -0.102 -4.461) 5.730 15.667 ( -0.603 -4.112 -4.809) 6.356 15.682 ( -0.815 -6.243 -1.950) 6.591 15.818 ( 1.353 3.921 4.476) 6.103 15.968 ( 5.634 -0.515 -6.868) 8.898 16.065 ( -0.063 -1.573 -4.303) 4.582 16.184 ( -3.796 -2.960 -0.513) 4.841 16.318 ( -1.983 6.684 -2.841) 7.529 16.417 ( 7.425 6.892 5.025) 11.308 16.667 ( -0.122 -4.858 -3.410) 5.936 16.683 ( 4.593 -3.449 4.282) 7.164 16.926 ( -0.327 4.550 5.633) 7.248 17.049 ( -12.541 -1.167 1.883) 12.735 17.204 ( -2.908 -15.917 10.675) 19.384 17.494 ( -1.464 -12.652 -1.857) 12.871 17.667 ( -1.658 1.716 1.534) 2.837 18.011 ( 3.549 -13.676 -0.896) 14.157 18.800 ( -0.975 5.648 0.203) 5.735 18.850 ( 0.978 3.528 0.231) 3.668 19.226 ( -0.781 4.881 -1.948) 5.313 19.330 ( 1.599 -1.143 -0.374) 2.001 19.518 ( 2.854 1.290 3.874) 4.982 19.581 ( 2.157 -0.215 3.776) 4.354 19.649 ( -6.681 -0.506 -5.015) 8.369 19.798 ( -1.689 -10.765 -0.595) 10.913 20.810 ( -2.118 7.991 -4.676) 9.498 21.253 ( 1.488 -8.433 -6.551) 10.782 21.319 ( 1.313 0.881 -1.238) 2.008 21.447 ( 1.150 -0.386 1.837) 2.201 23.854 ( -1.024 -0.395 -0.045) 1.099 23.901 ( 0.247 -0.153 -0.759) 0.812 24.626 ( 2.990 5.281 -0.635) 6.102 24.786 ( -1.503 3.057 -15.362) 15.735 24.846 ( 0.276 -0.221 2.827) 2.849 25.044 ( -1.331 0.301 -2.981) 3.278 25.161 ( 1.206 2.444 -0.800) 2.841 25.406 ( -0.770 -5.472 10.481) 11.848 25.509 ( -1.370 7.484 7.207) 10.479 25.709 ( -0.634 -1.573 2.406) 2.944 26.568 ( 4.546 4.556 5.639) 8.557 26.635 ( 1.988 2.099 3.421) 4.479 27.283 ( -4.247 2.293 -4.209) 6.404 27.442 ( -1.613 -4.241 -2.329) 5.101 28.318 ( 7.599 6.430 -0.534) 9.969 28.433 ( 1.661 1.169 0.599) 2.118 28.822 ( 3.046 1.244 2.457) 4.106 28.899 ( 0.486 -2.886 1.970) 3.528 29.528 ( -4.116 4.176 0.037) 5.863 29.571 ( -4.413 0.713 0.982) 4.577 29.828 ( 1.575 -2.225 -3.325) 4.300 29.876 ( -0.371 -3.332 -0.857) 3.461 30.154 ( 1.281 -0.639 0.232) 1.450 30.257 ( -2.962 -3.831 -1.396) 5.040 31.461 ( -2.222 1.252 0.832) 2.683 31.536 ( -2.901 -2.160 1.674) 3.985 31.697 ( -2.987 -1.869 -0.599) 3.575 31.759 ( 0.379 -5.219 -0.960) 5.320 32.224 ( 1.348 6.446 0.392) 6.597 32.401 ( 2.858 8.296 -1.703) 8.938 32.608 ( 4.066 -9.784 1.713) 10.733 32.749 ( 4.846 -6.838 -0.861) 8.425 33.408 ( -2.629 12.312 1.240) 12.650 33.789 ( 1.375 -5.006 1.369) 5.369 33.834 ( -2.944 6.552 -2.104) 7.485 33.967 ( -0.508 -0.158 0.616) 0.814 34.162 ( -0.030 5.812 -1.403) 5.979 34.288 ( 1.232 3.556 0.759) 3.840 34.426 ( -0.495 -4.198 1.585) 4.514 34.497 ( 1.422 -8.887 -2.022) 9.225 35.538 ( -2.750 10.893 0.604) 11.251 35.678 ( 2.411 9.033 -2.769) 9.751 35.836 ( -4.511 1.939 2.177) 5.371 36.205 ( 1.929 -8.408 -2.314) 8.931 91.102 ( -0.186 5.029 0.462) 5.053 91.181 ( 0.751 4.441 0.042) 4.504 91.332 ( -0.795 -5.797 2.888) 6.525 91.400 ( 0.493 -5.693 0.859) 5.779 93.854 ( -0.347 6.296 0.416) 6.319 93.964 ( 1.026 8.366 -0.606) 8.450 94.099 ( -1.821 -3.930 3.102) 5.328 94.332 ( 3.312 -8.245 -1.331) 8.984 94.961 ( -0.705 3.865 -6.482) 7.579 95.079 ( -3.102 0.537 3.160) 4.461 95.301 ( -2.182 0.816 5.109) 5.615 96.039 ( 3.960 -31.863 -1.229) 32.132 98.004 ( 0.364 2.035 0.668) 2.172 98.043 ( 0.894 -0.013 0.873) 1.250 99.208 ( 1.576 4.322 -0.340) 4.613 99.281 ( 0.562 -0.033 -0.886) 1.049 102.467 ( -0.095 1.077 -0.080) 1.084 102.481 ( -0.098 0.452 0.085) 0.470 102.899 ( 0.142 3.424 0.087) 3.428 102.977 ( 0.179 -0.659 -0.241) 0.724 107.585 ( -0.194 0.118 -0.060) 0.235 107.590 ( -0.219 -0.106 0.131) 0.276 107.738 ( -0.577 0.154 0.134) 0.612 107.767 ( -0.180 -1.250 -0.221) 1.282 ======================= Grid point 139 (71/126) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.551 ( -2.100 -31.000 14.196) 34.161 3.551 ( -2.100 31.000 14.196) 34.161 4.582 ( 0.239 -6.524 1.654) 6.734 4.582 ( 0.239 6.524 1.654) 6.734 4.824 ( 4.803 -11.761 -3.019) 13.058 4.824 ( 4.803 11.761 -3.019) 13.058 5.350 ( -9.200 -17.269 2.729) 19.756 5.350 ( -9.200 17.269 2.729) 19.756 5.543 ( 5.123 -10.317 -4.880) 12.510 5.543 ( 5.123 10.317 -4.880) 12.510 5.761 ( 8.311 -15.267 -10.486) 20.300 5.761 ( 8.311 15.267 -10.486) 20.300 6.285 ( -4.847 -13.880 4.822) 15.473 6.285 ( -4.847 13.880 4.822) 15.473 6.699 ( -0.471 -9.231 -2.509) 9.578 6.699 ( -0.471 9.231 -2.509) 9.578 6.947 ( -3.400 -5.778 1.850) 6.955 6.947 ( -3.400 5.778 1.850) 6.955 7.545 ( -2.048 -12.209 -1.322) 12.450 7.545 ( -2.048 12.209 -1.322) 12.450 7.673 ( 2.584 -7.273 -0.931) 7.775 7.673 ( 2.584 7.273 -0.931) 7.775 7.956 ( 2.527 -10.404 -3.843) 11.376 7.956 ( 2.527 10.404 -3.843) 11.376 8.298 ( -2.248 -6.676 -4.041) 8.121 8.298 ( -2.248 6.676 -4.041) 8.121 8.502 ( 0.743 -8.008 1.230) 8.135 8.502 ( 0.743 8.008 1.230) 8.135 8.585 ( -2.636 -5.593 0.564) 6.209 8.585 ( -2.636 5.593 0.564) 6.209 9.075 ( 0.278 -1.950 -2.155) 2.920 9.075 ( 0.278 1.950 -2.155) 2.920 9.269 ( -0.139 -7.251 -0.094) 7.253 9.269 ( -0.139 7.251 -0.094) 7.253 9.437 ( 1.854 -1.735 5.389) 5.958 9.437 ( 1.854 1.735 5.389) 5.958 10.714 ( 1.223 -3.700 2.914) 4.866 10.714 ( 1.223 3.700 2.914) 4.866 10.898 ( 8.643 -2.548 2.355) 9.313 10.898 ( 8.643 2.548 2.355) 9.313 10.999 ( -4.627 -3.427 1.601) 5.977 10.999 ( -4.627 3.427 1.601) 5.977 11.293 ( -4.662 -5.697 -1.868) 7.595 11.293 ( -4.662 5.697 -1.868) 7.595 11.365 ( -2.913 -7.029 -0.562) 7.630 11.365 ( -2.913 7.029 -0.562) 7.630 11.586 ( 9.145 -3.661 3.889) 10.590 11.586 ( 9.145 3.661 3.889) 10.590 11.998 ( -3.051 -7.962 -1.706) 8.696 11.998 ( -3.051 7.962 -1.706) 8.696 12.118 ( -4.588 -1.886 3.936) 6.332 12.118 ( -4.588 1.886 3.936) 6.332 12.650 ( -0.300 -11.234 -0.210) 11.240 12.650 ( -0.300 11.234 -0.210) 11.240 12.806 ( -0.108 -11.811 -3.109) 12.214 12.806 ( -0.108 11.811 -3.109) 12.214 13.464 ( -3.075 -2.415 -2.184) 4.479 13.464 ( -3.075 2.415 -2.184) 4.479 13.768 ( 4.652 -5.290 -9.291) 11.659 13.768 ( 4.652 5.290 -9.291) 11.659 14.081 ( 2.009 -6.758 1.923) 7.308 14.081 ( 2.009 6.758 1.923) 7.308 14.244 ( 0.660 -8.533 -0.691) 8.587 14.244 ( 0.660 8.533 -0.691) 8.587 14.627 ( -0.413 -0.939 1.017) 1.444 14.627 ( -0.413 0.939 1.017) 1.444 14.913 ( -1.879 -3.676 6.458) 7.664 14.913 ( -1.879 3.676 6.458) 7.664 15.157 ( -2.072 -1.874 -0.747) 2.891 15.157 ( -2.072 1.874 -0.747) 2.891 15.447 ( -0.258 -7.489 -4.854) 8.929 15.447 ( -0.258 7.489 -4.854) 8.929 15.583 ( 1.131 -4.505 -5.216) 6.984 15.583 ( 1.131 4.505 -5.216) 6.984 15.918 ( 2.769 -1.688 -7.068) 7.776 15.918 ( 2.769 1.688 -7.068) 7.776 16.075 ( 0.158 -3.508 3.883) 5.235 16.075 ( 0.158 3.508 3.883) 5.235 16.448 ( -0.329 -7.786 -4.261) 8.882 16.448 ( -0.329 7.786 -4.261) 8.882 16.715 ( 3.540 -7.034 6.269) 10.066 16.715 ( 3.540 7.034 6.269) 10.066 16.950 ( -10.312 -8.466 1.762) 13.457 16.950 ( -10.312 8.466 1.763) 13.457 17.327 ( 6.119 -10.025 12.222) 16.951 17.327 ( 6.119 10.025 12.222) 16.951 17.769 ( 0.046 -8.646 -0.579) 8.666 17.769 ( 0.046 8.646 -0.579) 8.666 18.883 ( -0.687 -1.610 0.095) 1.752 18.883 ( -0.687 1.610 0.095) 1.752 19.259 ( -0.313 -1.732 -2.997) 3.476 19.259 ( -0.313 1.732 -2.997) 3.476 19.493 ( -4.075 -2.309 -3.567) 5.887 19.493 ( -4.075 2.309 -3.567) 5.887 19.742 ( 4.170 -2.002 5.947) 7.534 19.742 ( 4.170 2.002 5.947) 7.534 20.934 ( 1.440 -8.972 -6.651) 11.261 20.934 ( 1.440 8.972 -6.651) 11.261 21.374 ( -1.427 -3.269 -4.635) 5.849 21.374 ( -1.427 3.269 -4.635) 5.849 23.877 ( 0.107 -2.527 0.713) 2.628 23.877 ( 0.107 2.527 0.713) 2.628 24.601 ( -2.481 -3.454 -11.919) 12.655 24.601 ( -2.481 3.454 -11.919) 12.655 24.894 ( 0.309 -3.556 -1.214) 3.770 24.894 ( 0.309 3.556 -1.214) 3.770 25.399 ( 2.022 -4.791 3.004) 6.005 25.399 ( 2.022 4.791 3.004) 6.005 25.760 ( 1.318 -5.671 15.894) 16.927 25.760 ( 1.318 5.671 15.894) 16.927 26.695 ( -3.645 -1.805 3.649) 5.464 26.695 ( -3.645 1.805 3.649) 5.464 27.342 ( 4.999 -7.995 -0.323) 9.435 27.342 ( 4.999 7.995 -0.323) 9.435 28.353 ( -4.392 -1.496 -6.320) 7.840 28.353 ( -4.392 1.496 -6.320) 7.840 28.963 ( 0.789 -2.035 7.587) 7.895 28.963 ( 0.789 2.035 7.587) 7.895 29.579 ( 2.779 -1.410 3.116) 4.407 29.579 ( 2.779 1.410 3.116) 4.407 29.768 ( -0.392 -2.840 -4.348) 5.208 29.768 ( -0.392 2.840 -4.348) 5.208 30.152 ( -1.140 -2.372 -3.703) 4.544 30.152 ( -1.140 2.372 -3.703) 4.544 31.484 ( -0.647 -2.159 1.690) 2.817 31.484 ( -0.647 2.159 1.690) 2.817 31.672 ( 0.178 -2.920 -0.836) 3.043 31.672 ( 0.178 2.920 -0.836) 3.043 32.389 ( -0.130 -7.523 -1.680) 7.709 32.389 ( -0.130 7.523 -1.680) 7.709 32.635 ( 0.267 -6.340 0.849) 6.402 32.635 ( 0.267 6.340 0.849) 6.402 33.650 ( 0.234 -10.206 2.271) 10.458 33.650 ( 0.234 10.206 2.271) 10.458 33.911 ( -0.929 -4.641 -1.410) 4.938 33.911 ( -0.929 4.641 -1.410) 4.938 34.281 ( -1.210 -3.975 -1.589) 4.449 34.281 ( -1.210 3.975 -1.589) 4.449 34.399 ( 2.061 -1.955 2.116) 3.542 34.399 ( 2.061 1.955 2.116) 3.542 35.694 ( -0.101 -6.291 0.860) 6.350 35.694 ( -0.101 6.291 0.860) 6.350 35.971 ( 0.049 -11.879 -3.431) 12.364 35.971 ( 0.049 11.879 -3.431) 12.364 91.237 ( 0.081 -6.625 2.612) 7.122 91.237 ( 0.081 6.625 2.612) 7.122 91.299 ( 0.078 -6.294 1.074) 6.386 91.299 ( 0.078 6.294 1.074) 6.386 94.003 ( -0.154 -6.353 3.096) 7.069 94.003 ( -0.154 6.353 3.096) 7.069 94.164 ( 0.792 -10.162 -0.754) 10.221 94.164 ( 0.792 10.162 -0.754) 10.221 94.959 ( -1.255 -4.003 -5.122) 6.621 94.959 ( -1.255 4.003 -5.122) 6.621 95.575 ( 0.710 -15.709 3.887) 16.198 95.575 ( 0.710 15.709 3.887) 16.198 98.054 ( -0.032 -1.091 1.581) 1.921 98.054 ( -0.032 1.091 1.581) 1.921 99.259 ( -0.006 -1.399 -1.325) 1.927 99.259 ( -0.006 1.399 -1.325) 1.927 102.481 ( 0.007 -0.275 0.007) 0.275 102.481 ( 0.007 0.275 0.007) 0.275 102.952 ( -0.008 -1.545 -0.110) 1.549 102.952 ( -0.008 1.545 -0.110) 1.549 107.586 ( -0.073 -0.101 0.029) 0.128 107.586 ( -0.073 0.101 0.029) 0.128 107.745 ( 0.062 -0.668 -0.061) 0.674 107.745 ( 0.062 0.668 -0.061) 0.674 ======================= Grid point 141 (72/126) ======================= q-point: ( 0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.565 ( -23.678 -24.967 9.276) 35.637 3.565 ( -23.678 24.967 9.276) 35.637 4.284 ( -27.070 -26.065 11.819) 39.393 4.284 ( -27.070 26.065 11.819) 39.394 4.591 ( -27.985 -28.001 -1.654) 39.623 4.591 ( -27.985 28.001 -1.654) 39.623 5.309 ( 2.465 -14.148 -17.514) 22.649 5.309 ( 2.465 14.148 -17.514) 22.649 5.772 ( 31.323 -15.275 0.442) 34.852 5.772 ( 31.323 15.275 0.442) 34.852 6.105 ( 31.015 -9.552 -2.656) 32.561 6.105 ( 31.015 9.552 -2.656) 32.561 6.325 ( 8.560 -8.833 7.147) 14.225 6.325 ( 8.560 8.833 7.147) 14.225 6.585 ( -5.108 -10.155 -6.069) 12.886 6.585 ( -5.108 10.155 -6.069) 12.886 7.031 ( 7.495 -4.454 4.796) 9.951 7.031 ( 7.495 4.454 4.796) 9.951 7.457 ( -5.821 -1.669 -3.026) 6.769 7.457 ( -5.821 1.669 -3.026) 6.769 7.709 ( 5.631 -13.458 -2.860) 14.866 7.709 ( 5.631 13.458 -2.860) 14.866 8.012 ( 9.511 -6.999 -3.202) 12.235 8.012 ( 9.511 6.999 -3.202) 12.235 8.234 ( -0.385 -6.481 -1.240) 6.610 8.234 ( -0.385 6.481 -1.240) 6.610 8.507 ( -1.251 -5.092 0.379) 5.257 8.507 ( -1.251 5.092 0.379) 5.257 8.593 ( 0.919 -7.408 3.024) 8.054 8.593 ( 0.919 7.408 3.024) 8.054 9.015 ( -4.471 -3.518 -2.416) 6.181 9.015 ( -4.471 3.518 -2.416) 6.181 9.235 ( -4.751 -10.142 -0.203) 11.201 9.235 ( -4.751 10.142 -0.203) 11.201 9.521 ( 1.401 -1.830 3.630) 4.300 9.521 ( 1.401 1.830 3.630) 4.300 10.564 ( -25.751 -5.913 -0.203) 26.422 10.564 ( -25.751 5.913 -0.203) 26.422 10.870 ( -11.312 -4.735 1.632) 12.371 10.870 ( -11.312 4.735 1.632) 12.371 10.996 ( -2.563 -1.834 1.175) 3.363 10.996 ( -2.563 1.834 1.175) 3.363 11.197 ( -0.897 -3.943 1.969) 4.498 11.197 ( -0.897 3.943 1.969) 4.498 11.400 ( 3.626 -1.328 1.674) 4.208 11.400 ( 3.626 1.328 1.674) 4.208 11.786 ( 6.298 -3.131 -0.411) 7.045 11.786 ( 6.298 3.131 -0.411) 7.045 12.010 ( 11.432 -6.763 -0.149) 13.283 12.010 ( 11.432 6.763 -0.149) 13.283 12.165 ( 3.912 -1.956 4.380) 6.190 12.165 ( 3.912 1.956 4.380) 6.190 12.628 ( -1.408 -9.742 0.249) 9.846 12.628 ( -1.408 9.742 0.249) 9.846 12.774 ( 0.111 -5.415 -3.606) 6.507 12.774 ( 0.111 5.415 -3.606) 6.507 13.404 ( 0.539 -1.774 -1.947) 2.689 13.404 ( 0.539 1.774 -1.947) 2.689 13.754 ( 7.100 -6.893 -7.289) 12.290 13.754 ( 7.100 6.893 -7.289) 12.290 14.138 ( 1.727 -6.739 1.116) 7.046 14.138 ( 1.727 6.739 1.116) 7.046 14.209 ( -0.643 -5.056 -3.230) 6.034 14.209 ( -0.643 5.056 -3.230) 6.034 14.620 ( -6.335 -1.225 1.931) 6.735 14.620 ( -6.335 1.225 1.931) 6.735 14.920 ( -6.593 -4.930 3.707) 9.029 14.920 ( -6.593 4.930 3.707) 9.029 15.153 ( 3.421 -7.925 1.708) 8.799 15.153 ( 3.421 7.925 1.708) 8.799 15.400 ( 1.256 -8.416 -4.490) 9.621 15.400 ( 1.256 8.416 -4.490) 9.621 15.518 ( -0.382 -8.097 -3.431) 8.802 15.518 ( -0.382 8.097 -3.431) 8.802 15.885 ( 4.555 -4.533 -6.189) 8.922 15.885 ( 4.555 4.533 -6.189) 8.922 16.150 ( 0.623 -1.841 4.684) 5.071 16.150 ( 0.623 1.841 4.684) 5.071 16.365 ( -3.761 -2.672 -3.468) 5.772 16.365 ( -3.761 2.672 -3.468) 5.772 16.730 ( -7.879 -7.239 2.516) 10.991 16.730 ( -7.879 7.239 2.516) 10.991 16.967 ( 5.538 -10.111 4.688) 12.445 16.967 ( 5.538 10.111 4.688) 12.445 17.520 ( 2.710 -3.079 6.473) 7.663 17.520 ( 2.710 3.079 6.473) 7.663 17.785 ( 1.997 -6.392 1.648) 6.896 17.785 ( 1.997 6.392 1.648) 6.896 18.855 ( -3.007 -1.557 -0.102) 3.387 18.855 ( -3.007 1.557 -0.102) 3.387 19.217 ( -0.023 -2.115 -2.633) 3.378 19.217 ( -0.023 2.115 -2.633) 3.378 19.449 ( 1.596 -0.611 -0.210) 1.722 19.449 ( 1.596 0.611 -0.210) 1.722 19.839 ( 1.041 -1.019 2.760) 3.121 19.839 ( 1.041 1.019 2.760) 3.121 20.866 ( 1.135 -2.450 -7.456) 7.930 20.866 ( 1.135 2.450 -7.456) 7.930 21.288 ( -2.109 -0.340 -3.684) 4.259 21.288 ( -2.109 0.340 -3.684) 4.259 23.891 ( 0.010 -3.146 1.035) 3.312 23.891 ( 0.010 3.146 1.035) 3.312 24.449 ( -0.865 -3.139 -7.902) 8.547 24.449 ( -0.865 3.139 -7.902) 8.547 24.878 ( -0.790 -3.220 0.230) 3.324 24.878 ( -0.790 3.220 0.230) 3.324 25.439 ( 3.751 -1.301 -1.350) 4.194 25.439 ( 3.751 1.301 -1.350) 4.194 25.984 ( -1.454 -2.780 13.754) 14.107 25.984 ( -1.454 2.780 13.754) 14.107 26.677 ( -4.063 -3.385 6.074) 8.054 26.677 ( -4.063 3.385 6.074) 8.054 27.415 ( 6.384 -8.558 -4.750) 11.685 27.415 ( 6.384 8.558 -4.750) 11.685 28.220 ( -4.826 -1.409 -1.853) 5.358 28.220 ( -4.826 1.409 -1.853) 5.358 29.017 ( -4.667 -4.780 7.276) 9.878 29.017 ( -4.667 4.780 7.276) 9.878 29.610 ( 1.081 -3.398 -8.099) 8.850 29.610 ( 1.081 3.398 -8.099) 8.850 29.822 ( 6.846 -4.780 8.681) 12.045 29.822 ( 6.846 4.780 8.681) 12.045 30.062 ( -1.137 -4.206 -7.159) 8.380 30.062 ( -1.137 4.206 -7.159) 8.380 31.517 ( 1.889 -2.084 1.859) 3.371 31.517 ( 1.889 2.084 1.859) 3.371 31.671 ( 1.275 -3.059 -0.960) 3.450 31.671 ( 1.275 3.059 -0.960) 3.450 32.346 ( -2.937 -4.414 -1.359) 5.473 32.346 ( -2.937 4.414 -1.359) 5.473 32.626 ( -2.690 -3.943 0.572) 4.808 32.626 ( -2.690 3.943 0.572) 4.808 33.681 ( -0.491 -7.617 2.113) 7.920 33.681 ( -0.491 7.617 2.113) 7.920 33.893 ( 1.367 -4.242 -1.257) 4.630 33.893 ( 1.367 4.242 -1.257) 4.630 34.240 ( -2.210 -3.078 -0.911) 3.897 34.240 ( -2.210 3.078 -0.911) 3.897 34.450 ( 1.679 -3.886 1.146) 4.385 34.450 ( 1.679 3.886 1.146) 4.385 35.712 ( 0.480 -7.380 1.357) 7.519 35.712 ( 0.480 7.380 1.357) 7.519 35.928 ( 0.782 -10.628 -3.708) 11.283 35.928 ( 0.782 10.628 -3.708) 11.283 91.270 ( 0.069 -4.606 2.165) 5.090 91.270 ( 0.069 4.606 2.165) 5.090 91.315 ( 0.000 -4.681 1.209) 4.834 91.315 ( 0.000 4.681 1.209) 4.834 94.035 ( -1.209 -6.671 2.645) 7.278 94.035 ( -1.209 6.671 2.645) 7.278 94.176 ( 1.956 -11.992 0.048) 12.150 94.176 ( 1.956 11.992 0.048) 12.150 94.882 ( -0.401 -3.597 -4.853) 6.054 94.882 ( -0.401 3.597 -4.853) 6.054 95.623 ( -0.542 -9.227 3.118) 9.755 95.623 ( -0.542 9.227 3.118) 9.755 98.070 ( -0.619 -0.920 1.560) 1.914 98.070 ( -0.619 0.920 1.560) 1.914 99.236 ( -0.752 -1.816 -1.299) 2.356 99.236 ( -0.752 1.816 -1.299) 2.356 102.482 ( 0.091 -0.060 0.001) 0.109 102.482 ( 0.091 0.060 0.001) 0.109 102.949 ( -0.085 -1.149 -0.095) 1.156 102.949 ( -0.085 1.149 -0.095) 1.156 107.586 ( 0.059 -0.198 0.028) 0.208 107.586 ( 0.059 0.198 0.028) 0.208 107.747 ( 0.362 -0.524 -0.057) 0.640 107.747 ( 0.362 0.524 -0.057) 0.640 ======================= Grid point 143 (73/126) ======================= q-point: ( 0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.134 ( -36.722 -22.218 1.119) 42.935 3.134 ( -36.722 22.218 1.119) 42.935 3.985 ( -33.902 -19.364 4.338) 39.283 3.985 ( -33.902 19.364 4.338) 39.283 4.413 ( -2.786 -17.324 8.415) 19.460 4.413 ( -2.786 17.324 8.415) 19.460 5.117 ( 3.665 -18.017 -16.210) 24.512 5.117 ( 3.665 18.017 -16.210) 24.512 5.925 ( -7.296 -15.746 1.375) 17.408 5.925 ( -7.296 15.746 1.375) 17.408 6.330 ( -3.926 -9.221 -0.594) 10.040 6.330 ( -3.926 9.221 -0.594) 10.040 6.660 ( 34.200 -18.550 1.030) 38.921 6.660 ( 34.200 18.550 1.031) 38.921 6.824 ( 37.534 -19.509 -0.383) 42.303 6.824 ( 37.534 19.509 -0.383) 42.303 7.217 ( 7.719 -2.892 5.520) 9.921 7.217 ( 7.719 2.892 5.520) 9.921 7.364 ( 0.151 -4.014 -1.412) 4.258 7.364 ( 0.151 4.014 -1.412) 4.258 7.767 ( 8.762 -12.032 -3.870) 15.379 7.767 ( 8.762 12.032 -3.870) 15.379 8.049 ( 0.016 -6.122 -1.918) 6.416 8.049 ( 0.016 6.122 -1.918) 6.416 8.317 ( 9.795 -8.475 2.272) 13.150 8.317 ( 9.795 8.475 2.272) 13.150 8.495 ( -0.858 -8.518 0.523) 8.577 8.495 ( -0.858 8.518 0.523) 8.577 8.664 ( 2.496 -2.313 2.890) 4.464 8.664 ( 2.496 2.313 2.890) 4.464 8.886 ( -10.877 -10.014 -0.388) 14.790 8.886 ( -10.877 10.014 -0.388) 14.790 9.129 ( -6.536 -12.172 -2.734) 14.084 9.129 ( -6.536 12.172 -2.734) 14.084 9.565 ( 1.311 -3.048 0.262) 3.328 9.565 ( 1.311 3.048 0.262) 3.328 10.109 ( -33.266 -3.942 -1.062) 33.515 10.109 ( -33.266 3.942 -1.062) 33.515 10.578 ( -24.419 -7.267 -0.754) 25.488 10.578 ( -24.419 7.267 -0.754) 25.488 11.021 ( 1.278 -3.066 1.000) 3.469 11.021 ( 1.278 3.066 1.000) 3.469 11.235 ( 1.118 -2.447 0.168) 2.695 11.235 ( 1.118 2.447 0.168) 2.695 11.486 ( 4.227 -2.011 2.556) 5.333 11.486 ( 4.227 2.011 2.556) 5.333 11.785 ( 2.353 -1.492 -4.485) 5.280 11.785 ( 2.353 1.492 -4.485) 5.280 12.207 ( 7.089 -1.657 4.476) 8.546 12.207 ( 7.089 1.657 4.476) 8.546 12.330 ( 8.811 -5.982 2.828) 11.019 12.330 ( 8.811 5.982 2.828) 11.019 12.628 ( 0.318 -5.030 -2.040) 5.437 12.628 ( 0.318 5.030 -2.040) 5.437 12.756 ( 3.981 -8.770 2.833) 10.039 12.756 ( 3.981 8.770 2.833) 10.039 13.444 ( 7.386 -2.983 -1.524) 8.110 13.444 ( 7.386 2.983 -1.524) 8.110 13.772 ( 4.321 -5.034 -3.785) 7.638 13.772 ( 4.321 5.034 -3.785) 7.638 14.093 ( -5.084 -3.367 -2.578) 6.621 14.093 ( -5.084 3.367 -2.578) 6.621 14.198 ( 0.849 -5.111 -1.554) 5.409 14.198 ( 0.849 5.111 -1.554) 5.409 14.500 ( -7.285 -4.888 -0.395) 8.782 14.500 ( -7.285 4.888 -0.395) 8.782 14.886 ( -4.455 -5.032 4.700) 8.201 14.886 ( -4.455 5.032 4.700) 8.201 15.195 ( -3.490 -4.267 -0.663) 5.552 15.195 ( -3.490 4.267 -0.663) 5.552 15.376 ( 2.413 -5.360 -1.545) 6.078 15.376 ( 2.413 5.360 -1.545) 6.078 15.541 ( 4.543 -11.307 2.667) 12.474 15.541 ( 4.543 11.307 2.667) 12.474 15.866 ( 1.977 -3.428 -5.544) 6.812 15.866 ( 1.977 3.428 -5.544) 6.812 16.156 ( -1.530 -0.455 -2.719) 3.153 16.156 ( -1.530 0.455 -2.719) 3.153 16.311 ( -1.457 -0.954 2.503) 3.049 16.311 ( -1.457 0.954 2.503) 3.049 16.670 ( -2.942 -6.606 1.161) 7.324 16.670 ( -2.942 6.606 1.161) 7.324 17.088 ( 2.179 -9.961 3.554) 10.798 17.088 ( 2.179 9.961 3.554) 10.798 17.586 ( 1.108 -1.810 1.422) 2.555 17.586 ( 1.108 1.810 1.422) 2.555 17.846 ( 3.663 -5.637 -0.411) 6.735 17.846 ( 3.663 5.637 -0.411) 6.735 18.806 ( -3.572 -0.864 0.564) 3.718 18.806 ( -3.572 0.864 0.564) 3.718 19.203 ( 0.749 -3.961 -0.401) 4.051 19.203 ( 0.749 3.961 -0.401) 4.051 19.521 ( 5.359 -0.101 3.025) 6.155 19.521 ( 5.359 0.101 3.025) 6.155 19.833 ( -2.432 -0.849 -2.215) 3.397 19.833 ( -2.432 0.849 -2.215) 3.397 20.788 ( -0.336 -4.626 -4.542) 6.492 20.788 ( -0.336 4.626 -4.542) 6.492 21.240 ( -1.241 -3.994 -0.011) 4.182 21.240 ( -1.241 3.994 -0.011) 4.182 23.897 ( -0.421 -2.813 0.364) 2.868 23.897 ( -0.421 2.813 0.364) 2.868 24.374 ( -0.310 -1.802 -2.605) 3.183 24.374 ( -0.310 1.802 -2.605) 3.183 24.896 ( 1.028 -4.728 2.066) 5.261 24.896 ( 1.028 4.728 2.066) 5.261 25.489 ( 5.188 -3.236 -1.258) 6.243 25.489 ( 5.188 3.236 -1.258) 6.243 25.995 ( -8.076 -2.803 0.938) 8.600 25.995 ( -8.076 2.803 0.938) 8.600 26.764 ( 0.197 -4.940 8.814) 10.106 26.764 ( 0.197 4.940 8.814) 10.106 27.379 ( 2.920 -4.743 -9.164) 10.724 27.379 ( 2.920 4.743 -9.164) 10.724 28.186 ( -2.161 -2.376 3.412) 4.686 28.186 ( -2.161 2.376 3.412) 4.686 29.036 ( -4.931 -5.103 5.466) 8.958 29.036 ( -4.931 5.103 5.466) 8.958 29.513 ( -0.129 -4.016 -5.411) 6.740 29.513 ( -0.129 4.016 -5.411) 6.740 29.945 ( 0.383 -8.156 -6.092) 10.187 29.945 ( 0.383 8.156 -6.092) 10.187 30.052 ( 6.882 -4.071 5.686) 9.812 30.052 ( 6.882 4.071 5.686) 9.812 31.577 ( 3.228 -3.005 1.145) 4.557 31.577 ( 3.228 3.005 1.145) 4.557 31.688 ( 2.426 -1.330 -0.378) 2.793 31.688 ( 2.426 1.330 -0.378) 2.793 32.277 ( -4.848 -2.352 -0.417) 5.405 32.277 ( -4.848 2.352 -0.417) 5.405 32.579 ( -3.958 -1.946 0.012) 4.410 32.579 ( -3.958 1.946 0.012) 4.410 33.681 ( -1.308 -3.954 0.421) 4.186 33.681 ( -1.308 3.954 0.421) 4.186 33.924 ( 3.130 -4.599 0.497) 5.585 33.924 ( 3.130 4.599 0.497) 5.585 34.195 ( -2.809 -5.334 -0.388) 6.040 34.195 ( -2.809 5.334 -0.388) 6.040 34.471 ( 0.775 -3.908 -0.489) 4.014 34.471 ( 0.775 3.908 -0.489) 4.014 35.734 ( 0.517 -7.015 0.773) 7.077 35.734 ( 0.517 7.015 0.773) 7.077 35.911 ( 1.566 -8.005 -1.524) 8.298 35.911 ( 1.566 8.005 -1.524) 8.298 91.290 ( 0.084 -4.047 0.760) 4.119 91.290 ( 0.084 4.047 0.761) 4.119 91.325 ( -0.149 -2.324 0.383) 2.360 91.325 ( -0.149 2.324 0.383) 2.360 94.030 ( -1.916 -7.005 0.639) 7.290 94.030 ( -1.916 7.005 0.639) 7.290 94.217 ( 2.800 -12.369 0.020) 12.682 94.217 ( 2.800 12.369 0.020) 12.682 94.836 ( -0.233 -1.918 -1.125) 2.236 94.836 ( -0.233 1.918 -1.125) 2.236 95.635 ( -1.160 -3.093 0.688) 3.374 95.635 ( -1.160 3.093 0.688) 3.374 98.073 ( -0.879 -0.531 0.631) 1.206 98.073 ( -0.879 0.531 0.631) 1.206 99.210 ( -1.027 -1.967 -0.498) 2.274 99.210 ( -1.027 1.967 -0.498) 2.274 102.484 ( 0.116 -0.353 -0.009) 0.372 102.484 ( 0.116 0.353 -0.009) 0.372 102.947 ( -0.097 -1.153 -0.024) 1.158 102.947 ( -0.097 1.153 -0.024) 1.158 107.588 ( 0.108 -0.437 0.056) 0.454 107.588 ( 0.108 0.437 0.056) 0.454 107.753 ( 0.485 -0.407 -0.059) 0.636 107.753 ( 0.485 0.407 -0.059) 0.636 ======================= Grid point 145 (74/126) ======================= q-point: ( 0.38 -0.50 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( -24.204 -13.703 -0.144) 27.814 2.680 ( -24.204 13.703 -0.144) 27.814 3.587 ( -20.311 -11.622 -2.331) 23.517 3.587 ( -20.311 11.622 -2.331) 23.517 4.436 ( -1.981 -9.110 -2.744) 9.718 4.436 ( -1.981 9.110 -2.744) 9.718 5.047 ( 5.514 -17.768 -6.163) 19.598 5.047 ( 5.514 17.768 -6.163) 19.598 5.843 ( -7.916 -15.892 7.734) 19.366 5.843 ( -7.916 15.892 7.734) 19.366 6.244 ( -5.171 -6.905 0.784) 8.662 6.244 ( -5.171 6.905 0.784) 8.662 7.085 ( 11.246 -9.429 1.497) 14.752 7.085 ( 11.246 9.429 1.497) 14.752 7.225 ( 20.112 -5.958 0.920) 20.996 7.225 ( 20.112 5.958 0.920) 20.996 7.366 ( 6.779 -1.289 3.494) 7.734 7.366 ( 6.779 1.289 3.494) 7.734 7.566 ( 26.303 -14.828 -0.665) 30.202 7.566 ( 26.303 14.828 -0.665) 30.202 7.872 ( 8.828 -4.945 -0.992) 10.167 7.872 ( 8.828 4.945 -0.992) 10.167 8.029 ( 2.051 -6.181 -0.197) 6.516 8.029 ( 2.051 6.181 -0.197) 6.516 8.440 ( 0.151 -6.699 -0.093) 6.701 8.440 ( 0.151 6.699 -0.093) 6.701 8.516 ( -3.402 -21.189 1.894) 21.543 8.516 ( -3.402 21.189 1.894) 21.543 8.661 ( -3.729 -7.771 1.258) 8.710 8.661 ( -3.729 7.770 1.258) 8.710 8.753 ( -1.430 -7.869 -1.927) 8.227 8.753 ( -1.430 7.869 -1.927) 8.227 9.020 ( -4.988 -13.787 -0.055) 14.662 9.020 ( -4.988 13.787 -0.055) 14.662 9.561 ( -7.741 -6.406 -0.058) 10.048 9.561 ( -7.741 6.406 -0.058) 10.048 9.665 ( -15.608 -6.799 -1.819) 17.122 9.665 ( -15.608 6.799 -1.819) 17.122 10.227 ( -21.290 -4.369 -0.668) 21.744 10.227 ( -21.290 4.369 -0.668) 21.744 11.038 ( 0.829 -2.538 -0.601) 2.736 11.038 ( 0.829 2.538 -0.601) 2.736 11.203 ( -0.905 -2.775 -4.918) 5.720 11.203 ( -0.905 2.775 -4.918) 5.720 11.587 ( 8.002 -5.221 -0.740) 9.583 11.587 ( 8.002 5.221 -0.740) 9.583 11.762 ( -1.798 -3.837 -0.822) 4.317 11.762 ( -1.798 3.837 -0.822) 4.317 12.330 ( 4.560 -3.773 1.452) 6.094 12.330 ( 4.560 3.773 1.452) 6.094 12.426 ( -0.422 -4.527 5.237) 6.936 12.426 ( -0.422 4.527 5.237) 6.936 12.555 ( -4.526 -4.671 -1.695) 6.721 12.555 ( -4.526 4.671 -1.695) 6.721 12.978 ( 14.220 -11.427 3.196) 18.520 12.978 ( 14.220 11.427 3.196) 18.520 13.551 ( 6.437 -2.266 0.510) 6.843 13.551 ( 6.437 2.266 0.510) 6.843 13.743 ( -1.138 -0.778 -3.140) 3.429 13.743 ( -1.138 0.778 -3.140) 3.429 13.990 ( -5.667 -7.361 0.288) 9.294 13.990 ( -5.667 7.361 0.288) 9.294 14.181 ( 0.916 -5.725 0.196) 5.801 14.181 ( 0.916 5.725 0.196) 5.801 14.471 ( -0.575 -3.287 2.566) 4.209 14.471 ( -0.575 3.287 2.566) 4.209 14.906 ( -1.470 -5.700 4.759) 7.570 14.906 ( -1.470 5.700 4.759) 7.570 15.075 ( -7.938 -1.553 -1.375) 8.204 15.075 ( -7.938 1.553 -1.375) 8.204 15.388 ( 1.988 -7.437 -3.252) 8.357 15.388 ( 1.988 7.437 -3.252) 8.357 15.663 ( 4.233 -7.158 2.209) 8.604 15.663 ( 4.233 7.158 2.209) 8.604 15.801 ( -2.047 -2.344 -1.252) 3.355 15.801 ( -2.047 2.344 -1.252) 3.355 16.119 ( 2.925 -0.699 -3.340) 4.494 16.119 ( 2.925 0.699 -3.340) 4.494 16.339 ( -1.104 -2.737 3.590) 4.647 16.339 ( -1.104 2.737 3.590) 4.647 16.658 ( -0.376 -3.882 -0.536) 3.936 16.658 ( -0.376 3.882 -0.536) 3.936 17.111 ( -2.380 -8.980 0.820) 9.326 17.111 ( -2.380 8.980 0.820) 9.326 17.604 ( 1.425 -2.859 -1.542) 3.547 17.604 ( 1.425 2.859 -1.542) 3.547 17.857 ( 3.091 -2.870 -5.465) 6.903 17.857 ( 3.091 2.870 -5.465) 6.903 18.777 ( -2.421 -0.488 1.772) 3.040 18.777 ( -2.421 0.488 1.772) 3.040 19.223 ( 0.468 -4.094 1.863) 4.522 19.223 ( 0.468 4.094 1.863) 4.522 19.656 ( 5.572 -1.869 3.668) 6.928 19.656 ( 5.572 1.869 3.668) 6.928 19.726 ( -3.832 -1.558 -5.561) 6.931 19.726 ( -3.832 1.558 -5.561) 6.931 20.774 ( 0.647 -7.479 2.870) 8.037 20.774 ( 0.647 7.479 2.870) 8.037 21.242 ( -1.241 -6.625 2.646) 7.242 21.242 ( -1.241 6.625 2.646) 7.242 23.892 ( -0.238 -2.173 -0.186) 2.194 23.892 ( -0.238 2.173 -0.186) 2.194 24.379 ( -0.234 -1.226 3.975) 4.166 24.379 ( -0.234 1.226 3.975) 4.166 24.929 ( 0.650 -4.456 -0.178) 4.506 24.929 ( 0.650 4.456 -0.178) 4.506 25.550 ( 5.068 -3.481 -0.780) 6.198 25.550 ( 5.068 3.481 -0.780) 6.198 25.856 ( -6.170 -5.057 -4.509) 9.164 25.856 ( -6.170 5.057 -4.509) 9.164 26.794 ( -2.669 -4.841 -3.375) 6.477 26.794 ( -2.669 4.841 -3.375) 6.477 27.362 ( 4.840 -6.910 0.056) 8.437 27.362 ( 4.840 6.910 0.056) 8.437 28.200 ( -3.008 -3.796 3.036) 5.716 28.200 ( -3.008 3.796 3.036) 5.716 28.975 ( -3.584 -3.978 -4.774) 7.174 28.975 ( -3.584 3.978 -4.774) 7.174 29.512 ( 0.447 -4.785 4.460) 6.557 29.512 ( 0.447 4.785 4.460) 6.557 29.906 ( 2.993 -9.287 -2.662) 10.114 29.906 ( 2.993 9.287 -2.662) 10.114 30.168 ( 2.021 -6.189 1.150) 6.612 30.168 ( 2.021 6.189 1.150) 6.612 31.625 ( 2.250 -3.158 -0.005) 3.878 31.625 ( 2.250 3.158 -0.005) 3.878 31.733 ( 2.844 -1.331 0.665) 3.210 31.733 ( 2.844 1.331 0.665) 3.210 32.207 ( -4.443 -2.213 0.624) 5.003 32.207 ( -4.443 2.213 0.624) 5.003 32.521 ( -2.932 -1.225 -0.862) 3.292 32.521 ( -2.932 1.225 -0.862) 3.292 33.667 ( -0.654 -3.147 -0.133) 3.217 33.667 ( -0.654 3.147 -0.133) 3.217 33.975 ( 1.978 -4.841 0.748) 5.283 33.975 ( 1.978 4.841 0.748) 5.283 34.160 ( -1.996 -6.612 0.963) 6.974 34.160 ( -1.996 6.612 0.963) 6.974 34.466 ( 0.595 -3.791 -1.589) 4.154 34.466 ( 0.595 3.791 -1.589) 4.154 35.744 ( 0.363 -5.321 -0.215) 5.337 35.744 ( 0.363 5.321 -0.215) 5.337 35.930 ( 1.159 -5.790 1.063) 6.000 35.930 ( 1.159 5.790 1.063) 6.000 91.290 ( -0.026 -9.191 -0.971) 9.242 91.290 ( -0.026 9.191 -0.971) 9.242 91.320 ( -0.117 -7.102 -0.734) 7.140 91.320 ( -0.117 7.102 -0.734) 7.140 94.010 ( -1.124 -6.871 0.076) 6.963 94.010 ( -1.124 6.871 0.076) 6.963 94.234 ( 1.798 -11.953 -3.040) 12.464 94.234 ( 1.798 11.953 -3.040) 12.464 94.857 ( -0.209 -5.535 4.911) 7.403 94.857 ( -0.209 5.535 4.911) 7.403 95.609 ( -0.818 -3.172 -2.287) 3.995 95.609 ( -0.818 3.172 -2.287) 3.995 98.061 ( -0.682 -0.528 -0.654) 1.083 98.061 ( -0.682 0.528 -0.654) 1.083 99.198 ( -0.677 -1.478 0.585) 1.728 99.198 ( -0.677 1.478 0.585) 1.728 102.485 ( 0.085 -0.493 0.001) 0.500 102.485 ( 0.085 0.493 0.001) 0.500 102.946 ( -0.065 -0.930 0.037) 0.933 102.946 ( -0.065 0.930 0.037) 0.933 107.591 ( 0.060 -0.565 0.106) 0.578 107.591 ( 0.060 0.565 0.106) 0.578 107.759 ( 0.354 -0.363 -0.076) 0.513 107.759 ( 0.354 0.363 -0.076) 0.513 ======================= Grid point 147 (75/126) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( -0.301 -5.026 -0.994) 5.132 2.487 ( -0.301 5.026 -0.994) 5.132 3.381 ( -0.871 -1.084 -5.192) 5.374 3.381 ( -0.871 1.084 -5.192) 5.374 4.314 ( -3.870 -14.086 -7.511) 16.426 4.314 ( -3.870 14.086 -7.511) 16.426 5.071 ( 8.351 -19.948 -6.181) 22.492 5.071 ( 8.351 19.948 -6.181) 22.492 5.924 ( -2.327 -8.701 14.662) 17.207 5.924 ( -2.327 8.701 14.662) 17.207 6.219 ( 0.202 -4.910 1.450) 5.124 6.219 ( 0.202 4.910 1.450) 5.124 7.186 ( 0.619 -8.167 5.981) 10.142 7.186 ( 0.619 8.167 5.981) 10.142 7.334 ( -1.700 -2.992 0.150) 3.445 7.334 ( -1.700 2.992 0.150) 3.445 7.497 ( -2.586 -2.385 1.970) 4.032 7.497 ( -2.586 2.385 1.970) 4.032 7.820 ( 0.431 -2.135 -1.138) 2.458 7.820 ( 0.431 2.135 -1.138) 2.458 7.930 ( 5.122 -8.644 1.242) 10.124 7.930 ( 5.122 8.644 1.242) 10.124 8.138 ( -3.557 -6.417 -0.760) 7.376 8.138 ( -3.557 6.417 -0.760) 7.376 8.292 ( 1.341 -5.269 -1.933) 5.770 8.292 ( 1.341 5.269 -1.933) 5.770 8.433 ( -2.636 -7.883 0.024) 8.312 8.433 ( -2.636 7.883 0.024) 8.312 8.614 ( -3.790 -7.131 -4.723) 9.355 8.614 ( -3.790 7.131 -4.723) 9.355 8.851 ( -1.968 -9.028 3.525) 9.890 8.851 ( -1.968 9.028 3.525) 9.890 8.964 ( 6.840 -4.830 -0.155) 8.375 8.964 ( 6.840 4.830 -0.155) 8.375 9.405 ( -0.769 -6.739 2.884) 7.370 9.405 ( -0.769 6.739 2.884) 7.370 9.694 ( 3.836 -4.083 1.735) 5.865 9.694 ( 3.836 4.083 1.735) 5.865 9.998 ( -1.817 -1.842 -3.961) 4.731 9.998 ( -1.817 1.842 -3.961) 4.731 11.034 ( 0.653 -1.634 -1.775) 2.500 11.034 ( 0.653 1.634 -1.775) 2.500 11.106 ( 0.067 -3.340 -8.488) 9.122 11.106 ( 0.067 3.340 -8.488) 9.122 11.668 ( -0.439 -7.365 -1.734) 7.579 11.668 ( -0.439 7.365 -1.734) 7.579 11.718 ( 1.680 -2.603 0.504) 3.139 11.718 ( 1.680 2.603 0.504) 3.139 12.358 ( -3.183 -2.400 -0.606) 4.033 12.358 ( -3.183 2.400 -0.606) 4.033 12.417 ( -2.805 -0.718 0.053) 2.896 12.417 ( -2.805 0.718 0.053) 2.896 12.579 ( 3.746 -4.191 6.450) 8.556 12.579 ( 3.746 4.191 6.450) 8.556 13.051 ( -7.189 -0.521 -2.863) 7.755 13.051 ( -7.189 0.521 -2.863) 7.755 13.618 ( 5.128 -4.640 1.821) 7.151 13.618 ( 5.128 4.640 1.821) 7.151 13.791 ( 2.779 -0.878 2.497) 3.838 13.791 ( 2.779 0.878 2.497) 3.838 13.932 ( 0.420 -11.335 -0.069) 11.343 13.932 ( 0.420 11.335 -0.069) 11.343 14.260 ( 2.612 -4.335 6.429) 8.182 14.260 ( 2.612 4.335 6.429) 8.182 14.488 ( -1.814 -3.430 2.580) 4.659 14.488 ( -1.814 3.430 2.580) 4.659 14.893 ( -8.124 -10.652 2.690) 13.665 14.893 ( -8.124 10.652 2.690) 13.665 15.050 ( 6.020 -4.792 1.544) 7.848 15.050 ( 6.020 4.792 1.544) 7.848 15.338 ( -0.103 -9.899 -6.696) 11.952 15.338 ( -0.103 9.899 -6.696) 11.952 15.657 ( -1.317 -2.310 -0.555) 2.717 15.657 ( -1.317 2.310 -0.555) 2.717 15.860 ( 2.443 -5.678 5.503) 8.276 15.860 ( 2.443 5.678 5.503) 8.276 16.134 ( 3.662 -2.023 -3.343) 5.355 16.134 ( 3.662 2.023 -3.343) 5.355 16.372 ( -1.932 -5.511 5.869) 8.279 16.372 ( -1.932 5.511 5.869) 8.279 16.615 ( -1.817 -5.171 -4.321) 6.979 16.615 ( -1.817 5.171 -4.321) 6.979 17.052 ( -2.339 -7.504 -4.466) 9.040 17.052 ( -2.339 7.504 -4.466) 9.040 17.592 ( 0.531 -0.798 -2.468) 2.648 17.592 ( 0.531 0.798 -2.468) 2.648 17.808 ( 1.305 -0.182 -6.571) 6.702 17.808 ( 1.305 0.182 -6.571) 6.702 18.781 ( -0.666 -1.514 2.188) 2.743 18.781 ( -0.666 1.514 2.188) 2.743 19.250 ( -0.815 -3.152 2.317) 3.996 19.250 ( -0.815 3.152 2.317) 3.996 19.582 ( -3.290 -1.646 -5.038) 6.238 19.582 ( -3.290 1.646 -5.038) 6.238 19.783 ( 3.737 -1.850 2.244) 4.735 19.783 ( 3.737 1.850 2.244) 4.735 20.880 ( 2.479 -6.184 9.455) 11.567 20.880 ( 2.479 6.184 9.455) 11.567 21.258 ( -1.453 -5.820 2.689) 6.574 21.258 ( -1.453 5.820 2.689) 6.574 23.891 ( 0.058 -2.384 0.330) 2.407 23.891 ( 0.058 2.384 0.330) 2.407 24.455 ( -0.233 -0.984 7.343) 7.412 24.455 ( -0.233 0.984 7.343) 7.412 24.903 ( -1.376 -4.160 -1.317) 4.576 24.903 ( -1.376 4.160 -1.317) 4.576 25.620 ( 4.258 -1.334 0.722) 4.520 25.620 ( 4.258 1.334 0.722) 4.520 25.722 ( -1.600 -4.315 -8.057) 9.278 25.722 ( -1.600 4.315 -8.057) 9.278 26.633 ( -3.845 -5.237 -11.741) 13.419 26.633 ( -3.845 5.237 -11.741) 13.419 27.509 ( 6.561 -0.905 7.937) 10.338 27.509 ( 6.561 0.905 7.937) 10.338 28.141 ( -5.539 -7.189 -2.840) 9.509 28.141 ( -5.539 7.189 -2.840) 9.509 28.873 ( -0.001 -4.619 -5.137) 6.908 28.873 ( -0.001 4.619 -5.137) 6.908 29.600 ( 0.852 -3.354 6.701) 7.542 29.600 ( 0.852 3.354 6.701) 7.542 29.952 ( 3.745 -9.178 0.261) 9.916 29.952 ( 3.745 9.178 0.261) 9.916 30.143 ( -3.160 -6.518 -2.449) 7.647 30.143 ( -3.160 6.518 -2.449) 7.647 31.642 ( -0.009 -1.531 -0.058) 1.532 31.642 ( -0.009 1.531 -0.058) 1.532 31.758 ( -0.829 -1.449 0.497) 1.742 31.758 ( -0.829 1.449 0.497) 1.742 32.188 ( 0.248 -3.236 1.806) 3.714 32.188 ( 0.248 3.236 1.806) 3.714 32.482 ( 0.223 -2.015 -1.877) 2.763 32.482 ( 0.223 2.015 -1.877) 2.763 33.662 ( -0.023 -2.256 0.079) 2.257 33.662 ( -0.023 2.256 0.079) 2.257 33.985 ( -0.872 -3.640 -0.215) 3.749 33.985 ( -0.872 3.640 -0.215) 3.749 34.174 ( 0.226 -6.868 3.068) 7.525 34.174 ( 0.226 6.868 3.068) 7.525 34.451 ( 0.818 -4.378 -2.459) 5.087 34.451 ( 0.818 4.378 -2.459) 5.087 35.742 ( -0.208 -4.438 -0.285) 4.452 35.742 ( -0.208 4.438 -0.285) 4.452 35.962 ( 0.330 -5.231 2.010) 5.614 35.962 ( 0.330 5.231 2.010) 5.614 91.266 ( -0.153 -3.652 -2.411) 4.379 91.266 ( -0.153 3.652 -2.411) 4.379 91.306 ( 0.020 -1.892 -1.166) 2.222 91.306 ( 0.020 1.892 -1.166) 2.222 94.002 ( -0.218 -5.988 0.054) 5.992 94.002 ( -0.218 5.988 0.054) 5.992 94.200 ( 0.646 -10.715 -4.453) 11.622 94.200 ( 0.646 10.715 -4.453) 11.622 94.941 ( -0.782 -9.528 8.813) 13.002 94.941 ( -0.782 9.528 8.813) 13.002 95.558 ( 0.377 -6.644 -4.963) 8.302 95.558 ( 0.377 6.644 -4.963) 8.302 98.040 ( -0.155 -0.706 -1.440) 1.611 98.040 ( -0.155 0.706 -1.440) 1.611 99.206 ( 0.100 -1.113 1.240) 1.669 99.206 ( 0.100 1.113 1.240) 1.669 102.486 ( 0.007 -0.402 0.015) 0.402 102.486 ( 0.007 0.402 0.015) 0.402 102.946 ( -0.001 -0.335 0.064) 0.342 102.946 ( -0.001 0.335 0.064) 0.342 107.592 ( -0.060 -0.511 0.146) 0.535 107.592 ( -0.060 0.511 0.146) 0.535 107.761 ( 0.053 -0.389 -0.094) 0.403 107.761 ( 0.053 0.389 -0.094) 0.403 ======================= Grid point 149 (76/126) ======================= q-point: (-0.38 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( 23.032 -15.252 -1.345) 27.657 2.646 ( 23.032 15.252 -1.345) 27.657 3.428 ( 15.690 -11.100 -5.437) 19.974 3.428 ( 15.690 11.100 -5.437) 19.974 4.192 ( -1.045 -23.960 -3.706) 24.267 4.192 ( -1.045 23.960 -3.706) 24.267 5.155 ( 15.022 -24.272 -6.558) 29.288 5.155 ( 15.022 24.272 -6.558) 29.288 6.065 ( -2.298 -10.245 10.796) 15.060 6.065 ( -2.298 10.245 10.796) 15.060 6.293 ( 5.843 -9.437 2.284) 11.332 6.293 ( 5.843 9.437 2.284) 11.332 7.146 ( -23.026 -8.074 0.642) 24.409 7.146 ( -23.026 8.074 0.642) 24.409 7.268 ( -15.875 -10.684 3.740) 19.497 7.268 ( -15.875 10.684 3.740) 19.497 7.342 ( -11.849 -2.609 3.730) 12.694 7.342 ( -11.849 2.609 3.730) 12.694 7.541 ( -20.213 -14.897 -1.580) 25.160 7.541 ( -20.213 14.897 -1.580) 25.160 7.954 ( -8.126 -6.654 -0.886) 10.540 7.954 ( -8.126 6.654 -0.886) 10.540 8.115 ( 5.188 -7.201 6.949) 11.272 8.115 ( 5.188 7.201 6.949) 11.272 8.285 ( -3.258 -1.973 -7.178) 8.126 8.285 ( -3.258 1.973 -7.178) 8.126 8.474 ( 5.442 -24.288 -0.180) 24.891 8.474 ( 5.442 24.288 -0.180) 24.891 8.613 ( 0.999 -1.892 0.088) 2.141 8.613 ( 0.999 1.892 0.088) 2.141 8.744 ( 2.420 -4.576 -0.262) 5.184 8.744 ( 2.420 4.576 -0.262) 5.184 9.155 ( 7.262 -9.516 1.774) 12.101 9.155 ( 7.262 9.516 1.774) 12.101 9.553 ( 0.795 -7.437 0.542) 7.499 9.553 ( 0.795 7.437 0.542) 7.499 9.700 ( 15.581 -5.787 -1.132) 16.659 9.700 ( 15.581 5.787 -1.132) 16.659 10.192 ( 26.082 -2.696 -0.926) 26.238 10.192 ( 26.082 2.696 -0.926) 26.238 10.966 ( -1.002 -4.435 -7.179) 8.498 10.966 ( -1.002 4.435 -7.179) 8.498 11.058 ( 2.767 -1.521 -2.664) 4.131 11.058 ( 2.767 1.521 -2.664) 4.131 11.560 ( -8.635 -5.176 -0.395) 10.075 11.560 ( -8.635 5.176 -0.395) 10.075 11.794 ( 5.168 -5.414 -0.889) 7.537 11.794 ( 5.168 5.414 -0.889) 7.537 12.246 ( -8.263 -1.621 -0.328) 8.427 12.246 ( -8.263 1.621 -0.328) 8.427 12.420 ( -0.267 -2.585 1.010) 2.788 12.420 ( -0.267 2.585 1.010) 2.788 12.724 ( 2.870 -5.052 3.485) 6.775 12.724 ( 2.870 5.052 3.485) 6.775 12.827 ( -14.308 -7.723 1.050) 16.293 12.827 ( -14.308 7.723 1.050) 16.293 13.646 ( -8.261 -4.872 1.601) 9.723 13.646 ( -8.261 4.872 1.601) 9.723 13.820 ( 5.585 -3.284 -0.600) 6.506 13.820 ( 5.585 3.284 -0.600) 6.506 14.041 ( 8.925 -13.267 0.047) 15.990 14.041 ( 8.925 13.267 0.047) 15.990 14.312 ( -6.103 -4.593 2.596) 8.068 14.312 ( -6.103 4.593 2.596) 8.068 14.559 ( 4.091 -5.972 8.227) 10.958 14.559 ( 4.091 5.972 8.227) 10.958 14.814 ( -5.362 -8.234 0.947) 9.872 14.814 ( -5.362 8.234 0.947) 9.872 15.164 ( 3.098 -9.698 -1.983) 10.372 15.164 ( 3.098 9.698 -1.983) 10.372 15.269 ( 5.654 -8.460 -3.122) 10.643 15.269 ( 5.654 8.460 -3.122) 10.643 15.676 ( 0.197 -2.869 4.065) 4.979 15.676 ( 0.197 2.869 4.065) 4.979 15.929 ( -0.945 -9.428 0.998) 9.527 15.929 ( -0.945 9.428 0.998) 9.527 16.139 ( 2.347 -2.923 -0.555) 3.790 16.139 ( 2.347 2.923 -0.555) 3.790 16.423 ( -3.532 -7.688 5.694) 10.198 16.423 ( -3.532 7.688 5.694) 10.198 16.533 ( 1.801 -7.884 -4.374) 9.194 16.533 ( 1.801 7.884 -4.374) 9.194 16.939 ( -1.187 -9.996 -8.557) 13.211 16.939 ( -1.187 9.996 -8.557) 13.211 17.541 ( -3.214 -4.155 -3.886) 6.534 17.541 ( -3.214 4.155 -3.886) 6.534 17.758 ( 0.738 -1.852 -2.511) 3.206 17.758 ( 0.738 1.852 -2.511) 3.206 18.808 ( 0.928 -1.563 1.720) 2.503 18.808 ( 0.928 1.563 1.720) 2.503 19.262 ( -0.441 -1.888 1.843) 2.675 19.262 ( -0.441 1.888 1.843) 2.675 19.507 ( -2.089 -0.908 -1.210) 2.579 19.507 ( -2.089 0.908 -1.210) 2.579 19.820 ( 0.267 -1.194 -0.856) 1.493 19.820 ( 0.267 1.194 -0.856) 1.493 21.039 ( 0.300 -2.008 9.481) 9.695 21.039 ( 0.300 2.008 9.481) 9.696 21.273 ( 1.189 -1.756 1.381) 2.530 21.273 ( 1.189 1.756 1.381) 2.530 23.897 ( -0.413 -2.552 0.667) 2.670 23.897 ( -0.413 2.552 0.667) 2.670 24.528 ( 0.755 -2.028 3.782) 4.357 24.528 ( 0.755 2.028 3.782) 4.357 24.925 ( -0.370 -3.445 7.842) 8.573 24.925 ( -0.370 3.445 7.842) 8.573 25.574 ( -2.149 -1.686 -12.273) 12.573 25.574 ( -2.149 1.686 -12.273) 12.573 25.661 ( 1.552 -1.435 -2.476) 3.255 25.661 ( 1.552 1.435 -2.476) 3.255 26.475 ( 1.303 -3.748 -7.000) 8.046 26.475 ( 1.303 3.748 -7.000) 8.046 27.650 ( -2.694 -5.263 3.364) 6.803 27.650 ( -2.694 5.263 3.364) 6.803 28.050 ( 3.613 -4.398 -2.081) 6.061 28.050 ( 3.613 4.398 -2.081) 6.061 28.856 ( 1.707 -3.767 -0.630) 4.183 28.856 ( 1.707 3.767 -0.630) 4.183 29.684 ( 1.236 -1.746 3.148) 3.806 29.684 ( 1.236 1.746 3.148) 3.806 29.922 ( -5.177 -3.992 -4.156) 7.746 29.922 ( -5.177 3.992 -4.156) 7.746 30.114 ( 1.076 -3.860 2.231) 4.587 30.114 ( 1.076 3.860 2.231) 4.587 31.614 ( -3.755 -1.454 -0.089) 4.028 31.614 ( -3.755 1.454 -0.089) 4.028 31.737 ( -2.380 -1.304 0.685) 2.799 31.737 ( -2.380 1.304 0.685) 2.799 32.250 ( 4.107 -5.374 1.991) 7.051 32.250 ( 4.107 5.374 1.991) 7.051 32.486 ( 3.787 -4.562 -2.155) 6.308 32.486 ( 3.787 4.562 -2.155) 6.308 33.661 ( -0.409 -4.131 -0.147) 4.154 33.661 ( -0.409 4.131 -0.147) 4.154 33.962 ( -1.719 -2.464 0.301) 3.020 33.962 ( -1.719 2.464 0.301) 3.020 34.227 ( 0.824 -5.558 3.542) 6.642 34.227 ( 0.824 5.558 3.542) 6.642 34.425 ( 0.680 -5.260 -3.491) 6.349 34.425 ( 0.680 5.260 -3.491) 6.349 35.730 ( -1.108 -3.937 -0.110) 4.091 35.730 ( -1.108 3.937 -0.110) 4.091 35.989 ( 0.122 -6.703 1.821) 6.947 35.989 ( 0.122 6.703 1.821) 6.947 91.232 ( -0.147 -1.964 -2.361) 3.074 91.232 ( -0.147 1.964 -2.361) 3.074 91.292 ( 0.070 -2.841 -1.038) 3.025 91.292 ( 0.070 2.841 -1.038) 3.025 93.998 ( -0.326 -4.899 -0.402) 4.926 93.998 ( -0.326 4.899 -0.402) 4.926 94.159 ( 0.773 -9.389 -2.944) 9.870 94.159 ( 0.773 9.389 -2.944) 9.870 95.035 ( -2.399 -9.345 8.786) 13.049 95.035 ( -2.399 9.345 8.786) 13.049 95.503 ( 2.050 -11.360 -6.046) 13.031 95.503 ( 2.050 11.360 -6.046) 13.031 98.024 ( 0.417 -0.691 -1.280) 1.513 98.024 ( 0.417 0.691 -1.280) 1.513 99.229 ( 0.857 -1.636 1.113) 2.156 99.229 ( 0.857 1.636 1.113) 2.156 102.486 ( -0.088 -0.151 0.009) 0.175 102.486 ( -0.088 0.151 0.009) 0.175 102.948 ( 0.087 -0.903 0.068) 0.909 102.948 ( 0.087 0.903 0.068) 0.909 107.592 ( -0.194 -0.307 0.141) 0.389 107.592 ( -0.194 0.307 0.141) 0.389 107.758 ( -0.235 -0.496 -0.091) 0.556 107.758 ( -0.235 0.496 -0.091) 0.556 ======================= Grid point 151 (77/126) ======================= q-point: (-0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( 28.743 -24.455 0.305) 37.740 3.044 ( 28.743 24.455 0.305) 37.740 3.660 ( 23.603 -23.376 -2.573) 33.319 3.660 ( 23.603 23.376 -2.573) 33.319 4.263 ( 15.837 -27.539 0.101) 31.768 4.263 ( 15.837 27.539 0.101) 31.768 5.329 ( 18.338 -25.155 -5.507) 31.613 5.329 ( 18.338 25.155 -5.507) 31.613 6.120 ( -4.640 -10.435 4.277) 12.195 6.120 ( -4.640 10.435 4.277) 12.195 6.325 ( -12.818 -6.102 -0.153) 14.197 6.325 ( -12.818 6.102 -0.153) 14.197 6.706 ( -26.132 -10.868 0.864) 28.315 6.706 ( -26.132 10.868 0.864) 28.315 6.848 ( -33.394 -20.105 -0.358) 38.981 6.848 ( -33.394 20.105 -0.358) 38.981 7.193 ( -14.387 -4.252 3.534) 15.413 7.193 ( -14.387 4.252 3.534) 15.413 7.515 ( 3.204 -3.841 3.349) 6.020 7.515 ( 3.204 3.841 3.349) 6.020 7.808 ( -8.768 -13.416 -2.838) 16.276 7.808 ( -8.768 13.416 -2.838) 16.276 8.107 ( -4.682 -8.064 -3.874) 10.097 8.107 ( -4.682 8.064 -3.874) 10.097 8.322 ( 5.154 -5.326 5.679) 9.337 8.322 ( 5.154 5.326 5.679) 9.337 8.475 ( -3.927 -5.266 -0.895) 6.630 8.475 ( -3.927 5.266 -0.895) 6.630 8.592 ( 0.481 -2.176 2.099) 3.062 8.592 ( 0.481 2.176 2.099) 3.062 8.921 ( 13.340 -7.458 0.153) 15.284 8.921 ( 13.340 7.458 0.153) 15.284 9.217 ( 1.632 -4.531 -0.242) 4.822 9.217 ( 1.632 4.531 -0.242) 4.822 9.441 ( -5.581 -2.863 -2.849) 6.889 9.441 ( -5.581 2.863 -2.849) 6.889 10.115 ( 33.223 -4.274 -0.272) 33.498 10.115 ( 33.223 4.274 -0.272) 33.498 10.533 ( 19.478 -4.373 -3.813) 20.324 10.533 ( 19.478 4.373 -3.813) 20.324 10.927 ( 5.305 -5.218 0.169) 7.443 10.927 ( 5.305 5.218 0.169) 7.443 11.078 ( 3.258 -3.757 -0.789) 5.035 11.078 ( 3.258 3.757 -0.789) 5.035 11.441 ( -6.311 -3.168 -0.600) 7.087 11.441 ( -6.311 3.168 -0.600) 7.087 11.806 ( -2.274 -2.900 -1.817) 4.109 11.806 ( -2.274 2.900 -1.817) 4.109 12.141 ( -6.685 -4.349 0.934) 8.030 12.141 ( -6.685 4.349 0.934) 8.030 12.366 ( -13.895 -9.059 4.031) 17.070 12.366 ( -13.895 9.059 4.031) 17.070 12.610 ( -3.211 -7.892 -1.123) 8.594 12.610 ( -3.211 7.892 -1.123) 8.594 12.880 ( 1.784 -7.440 3.801) 8.543 12.880 ( 1.784 7.440 3.801) 8.543 13.528 ( -7.582 -6.729 1.330) 10.225 13.528 ( -7.582 6.729 1.330) 10.225 13.878 ( 5.284 -5.960 -4.227) 9.017 13.878 ( 5.284 5.960 -4.227) 9.017 14.134 ( 3.461 -13.207 -0.253) 13.655 14.134 ( 3.461 13.207 -0.253) 13.655 14.205 ( -6.782 -3.976 -1.588) 8.020 14.205 ( -6.782 3.976 -1.588) 8.020 14.703 ( 0.322 -2.548 2.752) 3.764 14.703 ( 0.322 2.548 2.752) 3.764 14.780 ( -0.821 -0.381 3.704) 3.813 14.780 ( -0.821 0.381 3.704) 3.813 15.125 ( 0.220 -6.963 -1.059) 7.046 15.125 ( 0.220 6.963 -1.059) 7.046 15.406 ( 10.071 -6.683 0.595) 12.101 15.406 ( 10.071 6.683 0.595) 12.101 15.701 ( -2.579 -2.782 -1.117) 3.955 15.701 ( -2.579 2.782 -1.117) 3.955 15.887 ( -0.090 -5.776 -0.853) 5.840 15.887 ( -0.090 5.776 -0.853) 5.840 16.165 ( -1.410 -2.331 0.017) 2.725 16.165 ( -1.410 2.331 0.017) 2.725 16.443 ( 3.353 -7.037 1.915) 8.027 16.443 ( 3.353 7.037 1.915) 8.027 16.562 ( 1.345 -6.800 -0.133) 6.933 16.562 ( 1.345 6.800 -0.133) 6.933 16.857 ( 0.790 -8.817 0.161) 8.854 16.857 ( 0.790 8.817 0.161) 8.854 17.393 ( -8.257 -9.046 -5.541) 13.443 17.393 ( -8.257 9.046 -5.541) 13.443 17.763 ( 1.011 -6.282 0.297) 6.369 17.763 ( 1.011 6.282 0.297) 6.369 18.845 ( 1.705 -1.026 0.874) 2.174 18.845 ( 1.705 1.026 0.874) 2.174 19.295 ( 0.679 -0.239 2.058) 2.180 19.295 ( 0.679 0.239 2.058) 2.180 19.486 ( -0.201 -1.363 1.571) 2.090 19.486 ( -0.201 1.363 1.571) 2.090 19.772 ( -3.247 -1.010 -3.280) 4.725 19.772 ( -3.247 1.010 -3.280) 4.725 21.069 ( -3.309 -6.833 0.058) 7.592 21.069 ( -3.309 6.833 0.058) 7.592 21.354 ( 4.241 -1.347 3.091) 5.418 21.354 ( 4.241 1.347 3.091) 5.418 23.890 ( -1.036 -2.128 0.006) 2.367 23.890 ( -1.036 2.128 0.006) 2.367 24.612 ( 4.815 -3.761 4.139) 7.380 24.612 ( 4.815 3.761 4.139) 7.380 25.046 ( -2.090 -3.146 10.397) 11.062 25.046 ( -2.090 3.146 10.397) 11.062 25.327 ( -2.636 -1.156 -17.785) 18.017 25.327 ( -2.636 1.156 -17.785) 18.017 25.639 ( -2.061 -4.396 1.042) 4.966 25.639 ( -2.061 4.396 1.042) 4.966 26.508 ( 6.751 -1.972 0.879) 7.088 26.508 ( 6.751 1.972 0.879) 7.088 27.514 ( -9.060 -5.258 -5.113) 11.657 27.514 ( -9.060 5.258 -5.113) 11.657 28.221 ( 11.201 -2.453 6.337) 13.101 28.221 ( 11.201 2.453 6.337) 13.101 28.864 ( 0.692 -1.262 -2.093) 2.540 28.864 ( 0.692 1.262 -2.093) 2.540 29.666 ( -4.278 -0.534 -2.578) 5.023 29.666 ( -4.278 0.534 -2.578) 5.023 29.832 ( -2.472 -3.186 1.027) 4.161 29.832 ( -2.472 3.186 1.027) 4.161 30.164 ( 1.625 -4.920 1.335) 5.351 30.164 ( 1.625 4.920 1.335) 5.351 31.548 ( -4.859 -1.547 0.367) 5.113 31.548 ( -4.859 1.547 0.367) 5.113 31.711 ( -2.032 -0.616 0.262) 2.139 31.711 ( -2.032 0.616 0.262) 2.139 32.334 ( 4.534 -8.046 0.748) 9.265 32.334 ( 4.534 8.046 0.748) 9.265 32.533 ( 5.169 -7.511 -0.946) 9.167 32.533 ( 5.169 7.511 -0.946) 9.167 33.645 ( -1.081 -7.783 -0.405) 7.868 33.645 ( -1.081 7.783 -0.405) 7.868 33.950 ( -1.405 -2.112 1.065) 2.751 33.950 ( -1.405 2.112 1.065) 2.751 34.279 ( 0.727 -3.606 2.884) 4.675 34.279 ( 0.727 3.606 2.884) 4.675 34.384 ( 0.197 -4.952 -3.765) 6.224 34.384 ( 0.197 4.952 -3.765) 6.224 35.710 ( -1.424 -3.920 0.036) 4.171 35.710 ( -1.424 3.920 0.036) 4.171 36.008 ( 0.132 -9.289 0.586) 9.308 36.008 ( 0.132 9.289 0.586) 9.308 91.208 ( -0.121 -4.080 -0.854) 4.170 91.208 ( -0.121 4.080 -0.854) 4.170 91.285 ( 0.123 -4.316 -0.356) 4.332 91.285 ( 0.123 4.316 -0.356) 4.332 93.983 ( -0.820 -5.030 -0.297) 5.105 93.983 ( -0.820 5.030 -0.297) 5.105 94.151 ( 1.370 -8.519 -1.080) 8.696 94.151 ( 1.370 8.519 -1.080) 8.696 95.076 ( -3.672 -5.179 4.101) 7.558 95.076 ( -3.672 5.179 4.101) 7.558 95.480 ( 3.109 -17.713 -3.040) 18.239 95.480 ( 3.109 17.713 -3.040) 18.239 98.022 ( 0.709 -0.710 -0.364) 1.067 98.022 ( 0.709 0.710 -0.364) 1.067 99.254 ( 1.141 -1.954 0.346) 2.289 99.254 ( 1.141 1.954 0.346) 2.289 102.484 ( -0.138 -0.197 -0.006) 0.240 102.484 ( -0.138 0.197 -0.006) 0.240 102.950 ( 0.139 -1.652 0.032) 1.658 102.950 ( 0.139 1.652 0.032) 1.658 107.590 ( -0.262 -0.085 0.098) 0.293 107.590 ( -0.262 0.085 0.098) 0.293 107.752 ( -0.349 -0.638 -0.073) 0.731 107.752 ( -0.349 0.638 -0.073) 0.731 ======================= Grid point 153 (78/126) ======================= q-point: (-0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.367 ( 9.523 -32.596 6.897) 34.652 3.367 ( 9.523 32.596 6.897) 34.652 4.107 ( 39.118 -32.028 0.912) 50.566 4.107 ( 39.118 32.028 0.912) 50.566 4.613 ( 28.349 -27.979 -0.604) 39.835 4.613 ( 28.349 27.979 -0.604) 39.835 5.482 ( 9.838 -15.896 -6.974) 19.953 5.482 ( 9.838 15.896 -6.974) 19.953 5.791 ( -39.599 -18.830 2.318) 43.909 5.791 ( -39.599 18.830 2.318) 43.909 6.049 ( -19.591 -15.227 -4.410) 25.202 6.049 ( -19.591 15.227 -4.410) 25.202 6.352 ( -17.426 -6.873 2.989) 18.970 6.352 ( -17.426 6.873 2.989) 18.970 6.692 ( 2.354 -6.978 -0.670) 7.395 6.692 ( 2.354 6.978 -0.670) 7.395 7.039 ( -11.445 -5.972 2.386) 13.128 7.039 ( -11.445 5.972 2.386) 13.128 7.575 ( 0.065 -9.893 0.444) 9.903 7.575 ( 0.065 9.893 0.444) 9.903 7.674 ( -2.381 -8.295 -2.397) 8.957 7.674 ( -2.381 8.295 -2.397) 8.957 8.011 ( -3.157 -10.374 -2.610) 11.154 8.011 ( -3.157 10.374 -2.610) 11.154 8.375 ( -2.981 -7.043 -1.204) 7.742 8.375 ( -2.981 7.043 -1.204) 7.742 8.459 ( 2.667 -8.425 1.427) 8.951 8.459 ( 2.667 8.425 1.427) 8.951 8.616 ( -2.011 -3.705 1.575) 4.500 8.616 ( -2.011 3.705 1.575) 4.500 9.057 ( 5.424 -3.853 -0.844) 6.707 9.057 ( 5.424 3.853 -0.844) 6.707 9.244 ( 4.059 -9.433 -1.054) 10.323 9.244 ( 4.059 9.433 -1.054) 10.323 9.376 ( -1.494 -2.442 1.609) 3.284 9.376 ( -1.494 2.442 1.609) 3.284 10.574 ( 28.881 -6.967 -0.727) 29.719 10.574 ( 28.881 6.967 -0.727) 29.719 10.645 ( 5.388 -4.066 -0.047) 6.750 10.645 ( 5.388 4.066 -0.047) 6.750 11.026 ( 0.465 -3.655 1.342) 3.921 11.026 ( 0.465 3.655 1.342) 3.921 11.206 ( 13.207 -7.387 1.756) 15.234 11.206 ( 13.207 7.387 1.756) 15.234 11.379 ( -1.761 -3.386 0.707) 3.881 11.379 ( -1.761 3.386 0.707) 3.881 11.666 ( -12.299 -1.421 -2.542) 12.639 11.666 ( -12.299 1.421 -2.542) 12.639 12.067 ( -5.776 -7.036 1.223) 9.185 12.067 ( -5.776 7.036 1.223) 9.185 12.198 ( -13.513 -8.053 4.391) 16.332 12.198 ( -13.513 8.053 4.391) 16.332 12.623 ( 3.064 -11.232 0.069) 11.643 12.623 ( 3.064 11.232 0.069) 11.643 12.875 ( -3.841 -12.113 -1.194) 12.764 12.875 ( -3.841 12.113 -1.194) 12.764 13.493 ( -0.590 -2.314 0.913) 2.557 13.493 ( -0.590 2.314 0.913) 2.557 13.852 ( 2.163 -7.787 -8.835) 11.973 13.852 ( 2.163 7.787 -8.835) 11.973 14.071 ( -3.887 -4.960 -0.152) 6.304 14.071 ( -3.887 4.960 -0.152) 6.304 14.209 ( 2.838 -9.947 0.915) 10.384 14.209 ( 2.838 9.947 0.915) 10.384 14.661 ( -1.113 -1.287 -3.808) 4.171 14.661 ( -1.113 1.287 -3.808) 4.171 14.849 ( -1.584 -0.342 7.272) 7.451 14.849 ( -1.584 0.342 7.272) 7.451 15.155 ( 1.629 -2.272 1.322) 3.093 15.155 ( 1.629 2.272 1.322) 3.093 15.507 ( 2.735 -6.334 -2.642) 7.388 15.507 ( 2.735 6.334 -2.642) 7.388 15.610 ( -0.879 -3.890 -3.566) 5.349 15.610 ( -0.879 3.890 -3.566) 5.349 15.921 ( 3.618 -4.403 -0.658) 5.736 15.921 ( 3.618 4.403 -0.658) 5.736 16.103 ( -2.142 -4.405 -4.164) 6.429 16.103 ( -2.142 4.405 -4.164) 6.429 16.488 ( 2.001 -7.069 -4.081) 8.404 16.488 ( 2.001 7.069 -4.081) 8.404 16.590 ( 2.772 -6.215 4.290) 8.045 16.590 ( 2.772 6.215 4.290) 8.045 16.989 ( 0.130 -4.414 13.408) 14.116 16.989 ( 0.130 4.414 13.408) 14.116 17.205 ( -6.744 -14.301 -2.645) 16.031 17.205 ( -6.744 14.301 -2.645) 16.031 17.775 ( 0.378 -8.881 -0.344) 8.896 17.775 ( 0.378 8.881 -0.344) 8.896 18.875 ( 1.217 -1.330 0.314) 1.829 18.875 ( 1.217 1.330 0.314) 1.829 19.297 ( -0.918 -2.383 -1.264) 2.849 19.297 ( -0.918 2.383 -1.264) 2.849 19.560 ( 2.439 -2.293 4.187) 5.361 19.560 ( 2.439 2.293 4.187) 5.361 19.661 ( -3.759 -2.724 -2.983) 5.518 19.661 ( -3.759 2.724 -2.983) 5.518 21.001 ( -0.923 -11.269 -4.676) 12.236 21.001 ( -0.923 11.269 -4.676) 12.236 21.415 ( 1.460 -3.457 -0.987) 3.881 21.415 ( 1.460 3.457 -0.987) 3.881 23.876 ( -0.588 -1.818 -0.049) 1.911 23.876 ( -0.588 1.818 -0.049) 1.911 24.725 ( 3.571 -4.673 -1.325) 6.028 24.725 ( 3.571 4.673 -1.325) 6.028 24.955 ( -3.620 -6.414 -10.564) 12.878 24.955 ( -3.620 6.414 -10.564) 12.878 25.280 ( 0.643 -6.831 9.747) 11.920 25.280 ( 0.643 6.831 9.747) 11.920 25.642 ( -1.364 -5.167 4.077) 6.722 25.642 ( -1.364 5.167 4.077) 6.722 26.635 ( 4.200 -1.926 4.610) 6.527 26.635 ( 4.200 1.926 4.610) 6.527 27.354 ( -3.817 -4.358 -3.533) 6.786 27.354 ( -3.817 4.358 -3.533) 6.786 28.414 ( 4.655 -3.020 0.942) 5.628 28.414 ( 4.655 3.020 0.942) 5.628 28.852 ( 1.853 -1.863 1.517) 3.034 28.852 ( 1.853 1.863 1.517) 3.034 29.577 ( -4.529 -0.682 0.354) 4.594 29.577 ( -4.529 0.682 0.354) 4.594 29.817 ( -0.059 -1.644 -2.133) 2.694 29.817 ( -0.059 1.644 -2.133) 2.694 30.184 ( 0.247 -3.117 -0.513) 3.168 30.184 ( 0.247 3.117 -0.513) 3.168 31.496 ( -3.306 -1.983 1.040) 3.993 31.496 ( -3.306 1.983 1.040) 3.993 31.687 ( -1.071 -1.536 -0.410) 1.916 31.687 ( -1.071 1.536 -0.410) 1.916 32.387 ( 2.762 -9.187 -0.901) 9.636 32.387 ( 2.762 9.187 -0.901) 9.636 32.597 ( 3.563 -8.081 0.489) 8.845 32.597 ( 3.563 8.081 0.489) 8.845 33.632 ( -0.577 -9.892 0.728) 9.936 33.632 ( -0.577 9.892 0.728) 9.936 33.939 ( -1.458 -3.201 0.168) 3.521 33.939 ( -1.458 3.201 0.168) 3.521 34.310 ( 0.168 -8.618 -0.574) 8.639 34.310 ( 0.168 8.618 -0.574) 8.639 34.356 ( 0.748 -3.503 0.076) 3.583 34.356 ( 0.748 3.503 0.076) 3.583 35.694 ( -0.914 -4.858 0.322) 4.954 35.694 ( -0.914 4.858 0.322) 4.954 36.003 ( -0.029 -11.299 -1.512) 11.399 36.003 ( -0.029 11.299 -1.512) 11.399 91.210 ( -0.005 -5.400 1.309) 5.557 91.210 ( -0.005 5.400 1.309) 5.557 91.287 ( 0.119 -5.183 0.462) 5.205 91.287 ( 0.119 5.183 0.462) 5.205 93.978 ( -0.491 -5.687 1.337) 5.862 93.978 ( -0.491 5.687 1.337) 5.862 94.160 ( 1.104 -8.682 -0.635) 8.775 94.160 ( 1.104 8.682 -0.635) 8.775 95.037 ( -2.783 -3.725 -2.108) 5.106 95.037 ( -2.783 3.725 -2.108) 5.106 95.514 ( 2.215 -19.627 1.856) 19.839 95.514 ( 2.215 19.627 1.856) 19.839 98.034 ( 0.527 -0.936 0.783) 1.329 98.034 ( 0.527 0.936 0.783) 1.329 99.266 ( 0.780 -1.652 -0.637) 1.934 99.266 ( 0.780 1.652 -0.637) 1.934 102.482 ( -0.095 -0.360 -0.003) 0.372 102.482 ( -0.095 0.360 -0.003) 0.372 102.952 ( 0.097 -1.886 -0.047) 1.889 102.952 ( 0.097 1.886 -0.047) 1.889 107.588 ( -0.212 -0.131 0.054) 0.254 107.588 ( -0.212 0.131 0.054) 0.254 107.747 ( -0.230 -0.719 -0.063) 0.758 107.747 ( -0.230 0.719 -0.063) 0.758 ======================= Grid point 187 (79/126) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -4.950 0.000 20.812) 21.393 0.871 ( -9.684 0.000 20.472) 22.647 1.287 ( 5.364 0.000 -17.145) 17.964 1.300 ( 4.313 0.000 -18.788) 19.277 2.923 ( 7.055 0.000 59.957) 60.370 3.788 ( -0.134 0.000 5.845) 5.847 3.816 ( -0.303 0.000 -5.292) 5.301 3.966 ( 4.472 0.000 -24.809) 25.208 5.363 ( -5.804 0.000 1.033) 5.895 5.478 ( -11.508 0.000 19.001) 22.214 5.588 ( -13.601 0.000 -18.666) 23.096 5.986 ( 22.704 0.000 -23.246) 32.494 7.099 ( 15.648 0.000 6.657) 17.006 7.235 ( -10.403 0.000 2.944) 10.811 7.250 ( -14.841 0.000 -4.895) 15.627 7.285 ( 6.626 0.000 -2.873) 7.222 7.317 ( -2.829 0.000 3.420) 4.439 7.456 ( 4.330 0.000 -8.787) 9.796 7.550 ( -5.804 0.000 0.313) 5.813 7.581 ( 8.142 0.000 -3.913) 9.034 8.023 ( 9.463 0.000 6.837) 11.675 8.111 ( -10.021 0.000 -1.743) 10.172 8.180 ( 0.270 0.000 3.557) 3.567 8.259 ( -2.211 0.000 -3.575) 4.204 8.543 ( -1.542 0.000 3.643) 3.956 8.602 ( 10.211 0.000 -1.414) 10.309 8.674 ( -1.345 0.000 5.454) 5.617 8.760 ( -5.103 0.000 -2.571) 5.714 8.836 ( 4.303 0.000 3.186) 5.354 8.930 ( -8.159 0.000 -5.507) 9.844 9.040 ( 7.794 0.000 1.792) 7.998 9.107 ( -3.735 0.000 -4.107) 5.552 9.438 ( 2.196 0.000 0.349) 2.223 9.454 ( -3.627 0.000 -1.609) 3.968 10.133 ( -4.216 0.000 5.068) 6.592 10.183 ( 6.421 0.000 0.041) 6.421 10.471 ( -4.593 0.000 4.915) 6.727 10.496 ( 2.072 0.000 2.537) 3.276 10.760 ( -2.346 0.000 2.092) 3.143 10.780 ( 3.105 0.000 -0.253) 3.115 10.894 ( -6.648 0.000 2.054) 6.958 10.928 ( 4.959 0.000 -1.073) 5.074 11.093 ( 7.729 0.000 -0.742) 7.764 11.133 ( -2.828 0.000 -3.983) 4.885 11.737 ( 0.445 0.000 4.650) 4.672 11.762 ( -2.149 0.000 2.579) 3.357 11.798 ( 3.473 0.000 5.887) 6.835 11.914 ( 2.184 0.000 -2.774) 3.531 12.005 ( 0.027 0.000 -0.444) 0.445 12.067 ( -0.489 0.000 -3.894) 3.924 12.346 ( 5.710 0.000 -0.192) 5.713 12.392 ( -5.411 0.000 -0.539) 5.437 12.644 ( -2.165 0.000 -1.987) 2.939 12.666 ( -3.005 0.000 1.257) 3.257 12.825 ( -0.032 0.000 -1.509) 1.509 12.847 ( 2.859 0.000 0.263) 2.871 12.874 ( 8.805 0.000 -4.021) 9.680 12.969 ( -6.714 0.000 -7.076) 9.754 13.250 ( 14.890 0.000 3.020) 15.193 13.338 ( -14.801 0.000 -4.783) 15.555 13.527 ( 6.830 0.000 3.238) 7.559 13.545 ( -6.892 0.000 1.278) 7.010 13.767 ( 0.744 0.000 0.625) 0.972 13.776 ( -1.769 0.000 -0.655) 1.886 14.650 ( 6.224 0.000 -0.894) 6.288 14.670 ( -4.792 0.000 -2.973) 5.639 14.855 ( -3.286 0.000 0.020) 3.286 14.877 ( 2.662 0.000 -2.000) 3.330 15.244 ( -10.874 0.000 0.543) 10.887 15.265 ( 5.489 0.000 -1.740) 5.758 15.383 ( 3.772 0.000 1.709) 4.141 15.405 ( 0.240 0.000 -0.846) 0.880 15.618 ( -1.276 0.000 -3.795) 4.004 15.639 ( -0.689 0.000 -5.900) 5.940 15.863 ( -6.094 0.000 7.714) 9.831 15.929 ( 1.874 0.000 -0.883) 2.071 16.031 ( 3.215 0.000 -1.197) 3.431 16.097 ( -5.436 0.000 -5.091) 7.448 16.613 ( 7.756 0.000 6.770) 10.295 16.683 ( -6.940 0.000 2.884) 7.516 16.824 ( -2.495 0.000 6.236) 6.717 16.871 ( 1.312 0.000 3.866) 4.082 17.062 ( 15.729 0.000 3.426) 16.098 17.079 ( -17.575 0.000 2.598) 17.766 17.886 ( 5.875 0.000 7.467) 9.502 17.941 ( -0.552 0.000 0.999) 1.141 17.965 ( 1.110 0.000 -3.525) 3.695 18.131 ( -8.492 0.000 -12.404) 15.032 18.534 ( -6.370 0.000 -1.905) 6.649 18.537 ( 5.045 0.000 -2.100) 5.465 18.625 ( 1.591 0.000 0.876) 1.816 18.656 ( -2.394 0.000 -2.208) 3.257 19.604 ( 2.410 0.000 1.559) 2.871 19.608 ( -2.608 0.000 1.193) 2.868 20.611 ( 5.360 0.000 6.132) 8.144 20.674 ( 6.344 0.000 2.723) 6.904 20.751 ( -3.665 0.000 -6.308) 7.296 20.811 ( -7.372 0.000 -9.038) 11.664 21.717 ( 20.699 0.000 7.520) 22.023 21.893 ( -11.335 0.000 -8.676) 14.275 23.643 ( -0.642 0.000 2.292) 2.380 23.734 ( 0.282 0.000 -7.093) 7.098 24.534 ( 16.083 0.000 1.741) 16.177 24.553 ( -9.895 0.000 -0.048) 9.895 24.993 ( -5.506 0.000 16.228) 17.136 25.197 ( -0.876 0.000 1.127) 1.427 25.218 ( -0.968 0.000 1.655) 1.917 25.370 ( 11.594 0.000 -14.947) 18.917 25.435 ( 11.722 0.000 6.819) 13.561 25.580 ( -13.781 0.000 -6.622) 15.289 26.748 ( -13.958 0.000 17.377) 22.289 26.966 ( 25.615 0.000 -6.248) 26.366 27.353 ( 1.865 0.000 7.679) 7.902 27.488 ( 0.130 0.000 -5.148) 5.150 27.654 ( -8.400 0.000 2.608) 8.795 27.888 ( 2.892 0.000 -12.375) 12.708 28.859 ( -2.982 0.000 5.412) 6.179 28.991 ( 3.398 0.000 -2.570) 4.261 29.365 ( 3.582 0.000 0.727) 3.655 29.451 ( -7.485 0.000 -5.865) 9.509 29.725 ( -10.647 0.000 6.468) 12.458 29.810 ( 4.094 0.000 -1.386) 4.322 30.010 ( -3.569 0.000 5.128) 6.248 30.122 ( 3.398 0.000 -5.416) 6.394 31.516 ( -9.600 0.000 1.534) 9.722 31.571 ( 7.568 0.000 -3.294) 8.254 31.890 ( 10.945 0.000 7.248) 13.127 32.018 ( -8.401 0.000 -4.646) 9.600 32.207 ( 2.131 0.000 0.535) 2.197 32.217 ( -2.446 0.000 -0.478) 2.492 32.929 ( -0.572 0.000 6.026) 6.053 33.033 ( 2.658 0.000 -3.671) 4.533 33.214 ( -0.750 0.000 1.674) 1.834 33.259 ( 0.170 0.000 -2.378) 2.384 33.748 ( -4.626 0.000 2.267) 5.152 33.805 ( 7.923 0.000 -2.629) 8.348 33.891 ( -2.051 0.000 1.335) 2.447 33.895 ( 0.046 0.000 1.296) 1.297 34.438 ( -3.456 0.000 2.190) 4.091 34.554 ( 4.652 0.000 -8.179) 9.410 34.735 ( -5.093 0.000 3.657) 6.270 34.813 ( 4.454 0.000 -3.491) 5.659 36.060 ( -1.497 0.000 8.882) 9.008 36.247 ( 1.336 0.000 -8.192) 8.300 90.940 ( 1.465 0.000 1.231) 1.913 90.973 ( -1.814 0.000 -1.689) 2.478 91.905 ( 1.989 0.000 8.685) 8.910 92.072 ( -2.000 0.000 -6.626) 6.921 93.556 ( -0.861 0.000 -0.034) 0.862 93.560 ( 0.607 0.000 -0.534) 0.808 94.472 ( -1.615 0.000 9.460) 9.597 94.671 ( 0.177 0.000 -8.879) 8.880 95.079 ( -1.945 0.000 10.675) 10.850 95.297 ( 3.363 0.000 -9.178) 9.775 97.842 ( -3.386 0.000 1.165) 3.581 97.870 ( 7.191 0.000 -1.408) 7.328 98.090 ( 1.182 0.000 0.662) 1.355 98.108 ( -1.092 0.000 -0.963) 1.456 99.695 ( 0.646 0.000 1.206) 1.368 99.718 ( 0.872 0.000 -0.886) 1.243 102.392 ( 0.604 0.000 0.301) 0.674 102.399 ( -0.624 0.000 -0.356) 0.718 102.576 ( 3.455 0.000 0.936) 3.579 102.597 ( -1.964 0.000 -0.940) 2.177 107.580 ( 1.163 0.000 -0.029) 1.163 107.581 ( -1.335 0.000 -0.175) 1.346 107.782 ( -1.192 0.000 1.722) 2.094 107.818 ( 0.626 0.000 -1.585) 1.704 ======================= Grid point 188 (80/126) ======================= q-point: ( 0.12 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 18.186 0.000 17.809) 25.453 1.290 ( 28.822 0.000 -15.809) 32.873 1.533 ( 51.117 0.000 13.861) 52.963 1.630 ( 60.938 0.000 -12.340) 62.175 3.311 ( -7.341 0.000 -55.095) 55.582 3.578 ( -3.850 0.000 33.157) 33.380 3.774 ( -7.694 0.000 -3.441) 8.428 3.796 ( -8.156 0.000 2.735) 8.603 5.152 ( -17.107 0.000 -2.804) 17.336 5.233 ( -29.038 0.000 25.521) 38.659 5.842 ( 18.907 0.000 14.531) 23.846 6.121 ( 31.984 0.000 -21.631) 38.612 6.795 ( -32.637 0.000 -8.381) 33.696 6.971 ( -31.076 0.000 5.818) 31.616 7.295 ( -1.808 0.000 2.785) 3.321 7.318 ( -5.325 0.000 7.093) 8.869 7.344 ( -0.104 0.000 -0.163) 0.194 7.385 ( -7.756 0.000 -3.105) 8.355 7.486 ( 6.814 0.000 0.251) 6.818 7.553 ( -3.673 0.000 -3.836) 5.311 7.884 ( -13.761 0.000 -4.065) 14.349 8.080 ( -7.942 0.000 4.276) 9.020 8.213 ( 0.043 0.000 -2.566) 2.566 8.286 ( 3.466 0.000 5.283) 6.318 8.461 ( -6.432 0.000 0.706) 6.470 8.586 ( 0.201 0.000 -7.685) 7.688 8.760 ( 0.122 0.000 4.734) 4.735 8.762 ( 3.852 0.000 -3.989) 5.545 8.956 ( 12.376 0.000 -0.564) 12.389 9.092 ( 12.214 0.000 -3.648) 12.747 9.123 ( 19.303 0.000 5.909) 20.187 9.266 ( 19.992 0.000 0.898) 20.012 9.456 ( 6.517 0.000 1.078) 6.605 9.519 ( 7.860 0.000 0.824) 7.903 10.107 ( -4.057 0.000 0.641) 4.108 10.246 ( 5.596 0.000 -4.358) 7.093 10.494 ( 1.528 0.000 3.326) 3.660 10.572 ( 5.684 0.000 -1.154) 5.800 10.734 ( -2.622 0.000 0.570) 2.683 10.782 ( -2.036 0.000 -1.008) 2.271 10.860 ( -1.762 0.000 2.629) 3.165 10.992 ( 4.671 0.000 -1.354) 4.863 11.049 ( 0.557 0.000 -5.285) 5.314 11.188 ( 5.498 0.000 -0.064) 5.498 11.710 ( -7.387 0.000 -2.646) 7.847 11.765 ( -4.816 0.000 0.703) 4.867 11.847 ( 1.976 0.000 -6.868) 7.146 11.869 ( 0.827 0.000 2.850) 2.968 11.992 ( -0.731 0.000 -2.888) 2.979 12.013 ( -4.416 0.000 2.922) 5.295 12.240 ( -9.277 0.000 -2.750) 9.676 12.403 ( -1.425 0.000 2.738) 3.086 12.625 ( -7.108 0.000 9.017) 11.482 12.652 ( -0.709 0.000 -0.430) 0.829 12.776 ( -6.242 0.000 -6.975) 9.360 12.807 ( -1.849 0.000 1.361) 2.296 12.856 ( 4.736 0.000 -1.444) 4.951 12.998 ( -2.284 0.000 1.074) 2.524 13.134 ( 0.682 0.000 -2.724) 2.808 13.450 ( -5.924 0.000 -1.660) 6.152 13.515 ( 12.588 0.000 2.706) 12.875 13.652 ( 6.997 0.000 0.819) 7.045 13.742 ( -2.408 0.000 0.111) 2.410 13.785 ( 1.800 0.000 2.768) 3.302 14.539 ( -9.174 0.000 -1.327) 9.269 14.684 ( -1.238 0.000 -0.817) 1.484 14.789 ( -6.665 0.000 2.142) 7.001 14.881 ( 0.104 0.000 -0.553) 0.563 15.113 ( -8.549 0.000 2.471) 8.899 15.258 ( -4.457 0.000 1.778) 4.799 15.465 ( 4.694 0.000 -4.203) 6.301 15.469 ( 4.965 0.000 0.898) 5.045 15.544 ( -3.027 0.000 6.150) 6.855 15.554 ( -4.849 0.000 -0.879) 4.928 15.838 ( -4.409 0.000 1.784) 4.756 15.976 ( 1.325 0.000 4.630) 4.816 16.052 ( 6.687 0.000 -6.312) 9.196 16.223 ( 14.212 0.000 6.838) 15.771 16.587 ( -2.733 0.000 -4.839) 5.557 16.791 ( -1.473 0.000 3.146) 3.474 16.888 ( 2.901 0.000 0.611) 2.964 16.897 ( 4.573 0.000 -2.489) 5.206 16.945 ( 2.739 0.000 -3.306) 4.293 17.361 ( 19.673 0.000 5.436) 20.410 17.866 ( -5.713 0.000 -7.623) 9.526 17.944 ( 0.712 0.000 -0.666) 0.975 17.966 ( 0.917 0.000 -2.181) 2.366 18.126 ( 6.166 0.000 13.225) 14.592 18.467 ( -2.575 0.000 1.165) 2.827 18.584 ( 0.446 0.000 -1.541) 1.604 18.689 ( 4.162 0.000 1.283) 4.355 18.694 ( 12.959 0.000 4.302) 13.655 19.574 ( -2.762 0.000 -0.467) 2.801 19.647 ( 2.023 0.000 0.071) 2.024 20.584 ( -5.424 0.000 -5.884) 8.002 20.593 ( -9.414 0.000 -5.397) 10.852 20.755 ( 2.962 0.000 5.120) 5.915 20.848 ( 6.903 0.000 6.077) 9.197 21.448 ( -29.459 0.000 -17.391) 34.209 21.948 ( 3.864 0.000 4.994) 6.315 23.681 ( -0.000 0.000 4.906) 4.906 23.684 ( 1.526 0.000 -3.544) 3.859 24.314 ( -17.725 0.000 -5.429) 18.538 24.682 ( 6.673 0.000 -2.277) 7.051 25.032 ( -16.495 0.000 14.845) 22.192 25.115 ( -4.591 0.000 -9.476) 10.530 25.197 ( -1.780 0.000 -0.287) 1.803 25.262 ( -2.460 0.000 -8.429) 8.781 25.418 ( 3.284 0.000 -6.354) 7.152 25.755 ( 18.325 0.000 6.902) 19.581 26.548 ( -24.045 0.000 4.158) 24.402 27.072 ( 7.974 0.000 -20.589) 22.079 27.350 ( -7.565 0.000 -6.632) 10.060 27.404 ( -4.795 0.000 4.152) 6.343 27.724 ( -2.577 0.000 12.801) 13.058 27.729 ( -3.609 0.000 -0.890) 3.717 28.951 ( 2.186 0.000 4.985) 5.443 28.965 ( 4.260 0.000 -6.681) 7.924 29.334 ( -1.832 0.000 -2.407) 3.025 29.500 ( 6.534 0.000 6.397) 9.144 29.751 ( 1.610 0.000 5.189) 5.433 29.852 ( 2.084 0.000 -2.030) 2.909 30.125 ( 9.812 0.000 5.018) 11.021 30.236 ( 19.040 0.000 -1.855) 19.130 31.439 ( -5.723 0.000 4.156) 7.073 31.667 ( 8.635 0.000 -1.125) 8.708 31.804 ( -9.117 0.000 -7.956) 12.100 32.108 ( 9.010 0.000 4.077) 9.890 32.168 ( -3.163 0.000 -0.647) 3.228 32.231 ( -0.421 0.000 1.114) 1.191 32.900 ( -9.303 0.000 -5.036) 10.579 32.905 ( -7.910 0.000 3.691) 8.729 33.311 ( 6.960 0.000 0.728) 6.998 33.324 ( 9.478 0.000 -0.610) 9.498 33.673 ( -7.585 0.000 -0.287) 7.590 33.867 ( -0.638 0.000 2.879) 2.948 33.870 ( 5.523 0.000 -6.383) 8.441 33.897 ( -2.474 0.000 1.890) 3.114 34.442 ( -2.234 0.000 4.630) 5.141 34.539 ( 5.484 0.000 -5.148) 7.522 34.755 ( 0.999 0.000 4.244) 4.360 34.875 ( 9.160 0.000 -3.503) 9.807 36.138 ( -3.505 0.000 8.579) 9.268 36.148 ( 0.175 0.000 -8.325) 8.327 90.926 ( -1.794 0.000 -1.100) 2.104 90.981 ( 1.288 0.000 1.628) 2.076 91.946 ( -2.409 0.000 -7.633) 8.004 92.028 ( 0.582 0.000 6.864) 6.889 93.549 ( -0.338 0.000 0.384) 0.512 93.571 ( 1.216 0.000 0.021) 1.217 94.526 ( -3.948 0.000 -7.078) 8.105 94.526 ( -7.448 0.000 8.375) 11.207 95.290 ( 12.460 0.000 12.419) 17.592 95.312 ( 16.049 0.000 -14.282) 21.483 97.717 ( -16.102 0.000 -4.290) 16.664 97.888 ( 0.536 0.000 -2.736) 2.788 98.077 ( -1.403 0.000 -0.741) 1.587 98.113 ( 0.644 0.000 0.732) 0.975 99.397 ( -39.650 0.000 7.488) 40.351 99.405 ( -35.443 0.000 -9.245) 36.629 102.389 ( -0.182 0.000 -0.349) 0.394 102.407 ( 0.778 0.000 0.341) 0.850 102.593 ( 3.150 0.000 -0.283) 3.163 102.656 ( 5.816 0.000 -0.801) 5.871 107.566 ( -0.581 0.000 -0.031) 0.582 107.598 ( 1.019 0.000 0.113) 1.025 107.814 ( 1.860 0.000 1.302) 2.270 107.836 ( 4.113 0.000 -0.415) 4.134 ======================= Grid point 189 (81/126) ======================= q-point: ( 0.25 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 38.036 0.000 -10.530) 39.467 1.764 ( 24.234 0.000 14.302) 28.140 2.450 ( -3.592 0.000 -63.797) 63.898 2.502 ( 71.975 0.000 -6.920) 72.306 2.533 ( 60.523 0.000 11.115) 61.535 3.450 ( -23.997 0.000 -22.175) 32.674 3.575 ( -11.852 0.000 -5.324) 12.993 3.659 ( -13.487 0.000 8.133) 15.750 5.197 ( -23.461 0.000 28.301) 36.761 5.204 ( -4.193 0.000 28.924) 29.226 6.106 ( -43.162 0.000 -7.136) 43.748 6.147 ( -13.411 0.000 8.033) 15.633 6.357 ( 29.301 0.000 -16.876) 33.814 6.604 ( -17.316 0.000 12.227) 21.198 7.210 ( -8.766 0.000 -1.744) 8.938 7.245 ( -10.910 0.000 -0.997) 10.956 7.301 ( -3.811 0.000 1.374) 4.052 7.341 ( -5.741 0.000 8.873) 10.568 7.480 ( 2.396 0.000 -4.756) 5.326 7.587 ( 1.016 0.000 4.341) 4.458 7.671 ( -6.704 0.000 -4.048) 7.832 8.001 ( -10.819 0.000 4.715) 11.802 8.132 ( -7.966 0.000 -1.727) 8.151 8.315 ( -3.529 0.000 -2.941) 4.594 8.449 ( 4.110 0.000 -0.437) 4.134 8.544 ( 5.555 0.000 -1.686) 5.805 8.753 ( 3.197 0.000 -5.540) 6.397 8.785 ( -2.341 0.000 2.668) 3.550 9.043 ( 3.793 0.000 0.795) 3.875 9.370 ( 22.246 0.000 -1.725) 22.313 9.403 ( 8.436 0.000 4.860) 9.735 9.514 ( 11.610 0.000 -1.480) 11.704 9.698 ( 22.213 0.000 3.244) 22.448 9.766 ( 25.081 0.000 0.972) 25.100 10.053 ( -2.347 0.000 -0.917) 2.520 10.247 ( 6.098 0.000 -7.734) 9.848 10.604 ( 7.314 0.000 3.519) 8.117 10.614 ( 5.133 0.000 -4.416) 6.771 10.721 ( -0.102 0.000 1.303) 1.307 10.752 ( -0.886 0.000 0.460) 0.999 10.866 ( -0.914 0.000 1.702) 1.932 10.992 ( -2.705 0.000 -1.945) 3.332 11.042 ( 5.575 0.000 -3.067) 6.363 11.234 ( 0.752 0.000 -0.274) 0.801 11.507 ( -12.026 0.000 -3.736) 12.593 11.620 ( -9.648 0.000 -2.582) 9.987 11.786 ( -2.359 0.000 -7.462) 7.826 11.892 ( 2.887 0.000 -7.126) 7.689 11.942 ( -1.526 0.000 -2.486) 2.917 12.008 ( 1.733 0.000 4.333) 4.667 12.111 ( -9.273 0.000 2.485) 9.600 12.380 ( -1.446 0.000 -1.921) 2.405 12.568 ( -9.682 0.000 -0.646) 9.703 12.570 ( -8.659 0.000 -1.710) 8.827 12.696 ( -5.283 0.000 9.393) 10.777 12.822 ( -6.742 0.000 7.092) 9.785 12.914 ( 5.602 0.000 -1.685) 5.850 12.988 ( 3.317 0.000 4.787) 5.824 13.178 ( 1.428 0.000 -0.547) 1.529 13.343 ( -2.412 0.000 -4.329) 4.955 13.585 ( -0.330 0.000 -1.136) 1.182 13.715 ( -0.222 0.000 -1.006) 1.030 13.760 ( 8.024 0.000 -0.662) 8.051 13.961 ( 10.529 0.000 5.196) 11.741 14.381 ( -11.627 0.000 1.203) 11.689 14.577 ( -10.029 0.000 -2.024) 10.231 14.748 ( -4.623 0.000 4.411) 6.389 14.870 ( -0.397 0.000 -0.676) 0.784 15.069 ( -3.958 0.000 4.905) 6.303 15.201 ( -5.659 0.000 1.176) 5.780 15.453 ( -0.878 0.000 2.161) 2.333 15.469 ( -4.980 0.000 0.966) 5.073 15.563 ( 4.780 0.000 1.021) 4.888 15.662 ( 0.366 0.000 9.437) 9.444 15.820 ( -1.404 0.000 2.701) 3.044 16.037 ( 0.674 0.000 1.080) 1.273 16.109 ( 6.466 0.000 0.295) 6.473 16.471 ( 7.040 0.000 2.822) 7.584 16.500 ( -0.028 0.000 -5.609) 5.609 16.615 ( -9.619 0.000 -8.869) 13.084 16.872 ( 5.006 0.000 -10.928) 12.020 16.942 ( 10.718 0.000 -5.478) 12.037 17.139 ( 16.223 0.000 1.684) 16.310 17.704 ( 10.032 0.000 7.719) 12.658 17.747 ( -2.602 0.000 -1.922) 3.235 17.937 ( 1.370 0.000 -2.795) 3.113 17.986 ( 1.998 0.000 1.583) 2.549 18.338 ( 1.982 0.000 9.231) 9.441 18.474 ( -1.177 0.000 3.772) 3.951 18.619 ( 5.054 0.000 2.469) 5.624 18.762 ( 3.975 0.000 0.660) 4.029 19.126 ( 26.813 0.000 17.567) 32.056 19.518 ( -2.966 0.000 -1.546) 3.345 19.656 ( 0.792 0.000 -2.221) 2.358 20.263 ( -35.160 0.000 -24.760) 43.004 20.467 ( -2.250 0.000 -2.708) 3.521 20.617 ( -11.684 0.000 -5.886) 13.083 20.935 ( -2.285 0.000 -1.235) 2.597 21.007 ( 4.116 0.000 5.376) 6.770 21.995 ( -4.040 0.000 2.935) 4.993 23.673 ( 2.795 0.000 -2.540) 3.776 23.762 ( -0.904 0.000 8.042) 8.092 24.029 ( -9.684 0.000 -1.934) 9.875 24.717 ( 1.823 0.000 -0.802) 1.991 24.904 ( -16.963 0.000 5.954) 17.977 24.919 ( 0.343 0.000 -11.319) 11.324 25.167 ( -4.142 0.000 1.369) 4.362 25.169 ( -2.270 0.000 -2.625) 3.471 25.418 ( 5.988 0.000 -5.755) 8.305 26.103 ( 19.565 0.000 2.978) 19.790 26.340 ( -12.510 0.000 6.561) 14.126 26.713 ( -4.723 0.000 -32.170) 32.514 27.122 ( -10.166 0.000 -8.624) 13.331 27.324 ( -8.588 0.000 -1.205) 8.672 27.770 ( -4.368 0.000 2.318) 4.945 27.854 ( 1.649 0.000 18.670) 18.743 28.967 ( 1.115 0.000 -6.872) 6.961 29.019 ( 6.613 0.000 3.287) 7.385 29.329 ( -0.319 0.000 3.632) 3.646 29.652 ( 4.033 0.000 3.612) 5.414 29.806 ( -0.459 0.000 -6.263) 6.280 29.812 ( 0.980 0.000 0.335) 1.036 30.412 ( 18.131 0.000 5.511) 18.950 30.501 ( 11.102 0.000 2.746) 11.436 31.462 ( -0.116 0.000 5.685) 5.686 31.529 ( -10.064 0.000 -7.515) 12.560 31.837 ( 11.290 0.000 0.934) 11.329 32.113 ( -2.669 0.000 -1.200) 2.927 32.196 ( -3.388 0.000 1.024) 3.539 32.266 ( 6.015 0.000 0.314) 6.023 32.700 ( -9.455 0.000 -3.857) 10.212 32.863 ( -5.743 0.000 4.461) 7.272 33.376 ( 0.231 0.000 0.812) 0.844 33.493 ( 7.480 0.000 2.655) 7.938 33.528 ( -5.777 0.000 -0.306) 5.785 33.841 ( 4.801 0.000 -5.863) 7.578 33.901 ( -2.674 0.000 5.617) 6.221 33.948 ( 5.282 0.000 1.565) 5.509 34.484 ( -0.684 0.000 5.391) 5.434 34.580 ( 6.320 0.000 -2.282) 6.720 34.851 ( 2.935 0.000 5.043) 5.834 34.966 ( 9.523 0.000 -4.025) 10.339 36.064 ( 1.846 0.000 -6.344) 6.607 36.169 ( -6.148 0.000 7.282) 9.531 90.901 ( -0.889 0.000 0.378) 0.966 91.007 ( 0.032 0.000 0.566) 0.567 91.817 ( -1.278 0.000 -8.456) 8.552 92.068 ( -3.301 0.000 1.178) 3.505 93.555 ( -0.086 0.000 0.935) 0.939 93.587 ( 1.021 0.000 -0.521) 1.146 94.410 ( -1.659 0.000 -4.448) 4.748 94.472 ( -10.374 0.000 4.119) 11.162 95.345 ( 18.661 0.000 -21.380) 28.378 95.754 ( 26.073 0.000 15.095) 30.127 96.985 ( -52.705 0.000 -39.053) 65.597 97.825 ( -5.157 0.000 -2.581) 5.767 98.057 ( -0.708 0.000 0.107) 0.716 98.124 ( -0.178 0.000 0.311) 0.359 98.724 ( -19.155 0.000 -16.353) 25.186 98.918 ( -42.662 0.000 13.308) 44.689 102.385 ( 0.066 0.000 -0.101) 0.121 102.417 ( 0.325 0.000 -0.056) 0.330 102.665 ( 3.646 0.000 2.264) 4.291 102.714 ( 4.049 0.000 -1.157) 4.211 107.563 ( -0.065 0.000 0.259) 0.267 107.607 ( 0.367 0.000 -0.295) 0.471 107.857 ( 2.015 0.000 1.094) 2.293 107.918 ( 4.335 0.000 2.345) 4.928 ======================= Grid point 190 (82/126) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 15.156 0.000 -57.478) 59.443 2.057 ( 34.325 0.000 -6.527) 34.940 2.240 ( 14.170 0.000 12.560) 18.935 2.664 ( -28.149 0.000 -33.204) 43.530 3.293 ( 1.467 0.000 -7.845) 7.981 3.326 ( -2.005 0.000 8.395) 8.631 3.504 ( 60.689 0.000 -3.955) 60.818 3.709 ( 40.536 0.000 5.378) 40.891 5.219 ( -20.723 0.000 17.312) 27.003 5.303 ( -56.130 0.000 -3.220) 56.222 5.530 ( 0.277 0.000 21.826) 21.828 5.664 ( -46.960 0.000 11.042) 48.241 6.619 ( 29.686 0.000 -11.635) 31.885 6.846 ( 8.905 0.000 16.496) 18.747 7.052 ( -8.143 0.000 -2.242) 8.446 7.078 ( -8.306 0.000 -1.117) 8.381 7.221 ( -7.510 0.000 -1.657) 7.690 7.394 ( -1.117 0.000 8.081) 8.158 7.480 ( 4.203 0.000 -3.299) 5.343 7.597 ( 2.775 0.000 -3.711) 4.634 7.622 ( -8.986 0.000 8.714) 12.517 7.849 ( -14.747 0.000 -0.711) 14.764 8.000 ( -3.739 0.000 -2.261) 4.370 8.188 ( -3.421 0.000 -5.743) 6.685 8.515 ( 4.252 0.000 -0.240) 4.259 8.666 ( 6.101 0.000 3.418) 6.993 8.710 ( 2.365 0.000 -6.035) 6.482 8.784 ( -2.500 0.000 3.148) 4.020 9.129 ( 2.787 0.000 5.151) 5.857 9.498 ( 0.082 0.000 3.134) 3.135 9.591 ( 12.691 0.000 -3.875) 13.269 9.601 ( 4.388 0.000 -4.983) 6.639 10.026 ( 0.590 0.000 0.625) 0.859 10.097 ( 16.406 0.000 -3.010) 16.680 10.125 ( 26.068 0.000 4.214) 26.406 10.284 ( 15.423 0.000 -6.275) 16.651 10.622 ( 3.089 0.000 -2.873) 4.219 10.724 ( -4.064 0.000 0.677) 4.120 10.735 ( -6.654 0.000 2.391) 7.070 10.781 ( 8.580 0.000 1.051) 8.644 10.898 ( 1.307 0.000 3.649) 3.876 10.912 ( 0.339 0.000 -0.519) 0.619 11.088 ( -1.701 0.000 3.403) 3.805 11.191 ( -6.757 0.000 0.227) 6.761 11.350 ( -8.532 0.000 3.873) 9.370 11.475 ( -2.141 0.000 -6.290) 6.644 11.566 ( -6.806 0.000 -10.800) 12.765 11.786 ( -4.841 0.000 -7.134) 8.621 11.985 ( 10.125 0.000 -3.093) 10.587 12.009 ( -6.656 0.000 1.774) 6.888 12.095 ( 5.883 0.000 0.537) 5.907 12.344 ( 4.276 0.000 -6.824) 8.053 12.380 ( -14.375 0.000 -0.798) 14.398 12.424 ( -8.425 0.000 -1.648) 8.584 12.752 ( -4.305 0.000 9.419) 10.356 12.826 ( -3.689 0.000 5.780) 6.857 12.970 ( 5.361 0.000 -1.835) 5.666 13.079 ( -5.598 0.000 3.302) 6.499 13.189 ( 3.300 0.000 3.758) 5.001 13.313 ( 4.142 0.000 -2.085) 4.637 13.569 ( -1.147 0.000 1.567) 1.942 13.702 ( 0.712 0.000 -1.781) 1.918 13.877 ( 9.983 0.000 -1.538) 10.100 14.080 ( -0.645 0.000 -0.705) 0.956 14.257 ( -9.706 0.000 4.092) 10.533 14.418 ( -4.774 0.000 -2.715) 5.492 14.752 ( -2.781 0.000 4.110) 4.963 14.850 ( -0.570 0.000 -1.382) 1.495 15.125 ( -1.540 0.000 9.806) 9.926 15.163 ( -2.862 0.000 3.772) 4.735 15.416 ( -0.845 0.000 -2.062) 2.229 15.474 ( -0.723 0.000 2.709) 2.804 15.666 ( 2.393 0.000 6.050) 6.506 15.719 ( -2.263 0.000 1.313) 2.616 15.900 ( -0.691 0.000 11.504) 11.525 16.014 ( -3.323 0.000 -0.662) 3.388 16.224 ( 4.173 0.000 4.530) 6.160 16.381 ( -2.941 0.000 -11.100) 11.483 16.404 ( -3.554 0.000 -6.848) 7.715 16.496 ( 2.143 0.000 -5.094) 5.526 16.786 ( 3.760 0.000 -12.188) 12.755 17.027 ( 7.254 0.000 -7.482) 10.421 17.386 ( 15.010 0.000 0.709) 15.026 17.711 ( -2.607 0.000 1.059) 2.813 17.734 ( -8.976 0.000 -1.917) 9.178 17.908 ( -0.029 0.000 -3.760) 3.760 18.057 ( 3.602 0.000 2.869) 4.605 18.381 ( -4.835 0.000 -2.198) 5.312 18.520 ( -0.784 0.000 5.371) 5.428 18.712 ( 1.748 0.000 -0.802) 1.923 18.815 ( 2.636 0.000 0.067) 2.637 19.143 ( -19.451 0.000 -26.372) 32.770 19.482 ( -1.143 0.000 -0.176) 1.156 19.613 ( -0.832 0.000 -4.126) 4.209 20.015 ( 26.063 0.000 24.716) 35.918 20.463 ( 2.258 0.000 1.657) 2.801 20.682 ( 5.285 0.000 10.464) 11.723 20.954 ( 2.529 0.000 4.356) 5.036 21.080 ( 0.188 0.000 0.577) 0.607 21.900 ( -10.377 0.000 -2.030) 10.574 23.732 ( 6.472 0.000 0.167) 6.475 23.817 ( -5.967 0.000 6.927) 9.143 24.032 ( 0.266 0.000 12.479) 12.482 24.715 ( -11.094 0.000 9.620) 14.684 24.794 ( 4.703 0.000 -4.799) 6.720 24.880 ( 8.151 0.000 -5.088) 9.609 25.102 ( -5.937 0.000 0.115) 5.938 25.124 ( -0.694 0.000 -0.827) 1.079 25.415 ( 4.339 0.000 -7.385) 8.565 26.116 ( -6.332 0.000 -29.432) 30.105 26.321 ( -4.286 0.000 7.207) 8.385 26.472 ( 16.886 0.000 -6.678) 18.159 26.878 ( -10.614 0.000 -3.458) 11.163 27.151 ( -7.600 0.000 -5.988) 9.676 27.732 ( -3.091 0.000 3.941) 5.008 28.140 ( 2.199 0.000 17.287) 17.427 28.847 ( 0.168 0.000 -9.846) 9.848 29.197 ( 5.855 0.000 8.110) 10.002 29.391 ( 0.553 0.000 4.997) 5.028 29.609 ( -4.985 0.000 -10.604) 11.717 29.758 ( 2.519 0.000 -2.566) 3.596 29.793 ( -1.257 0.000 -2.398) 2.708 30.589 ( 1.109 0.000 0.488) 1.211 30.666 ( 7.087 0.000 0.664) 7.118 31.395 ( 2.701 0.000 -1.113) 2.921 31.536 ( 0.195 0.000 4.016) 4.021 31.991 ( 2.736 0.000 2.010) 3.395 32.100 ( 6.522 0.000 -0.375) 6.533 32.126 ( -7.263 0.000 0.692) 7.296 32.325 ( 4.134 0.000 -3.080) 5.155 32.556 ( -5.243 0.000 -0.967) 5.331 32.786 ( -10.106 0.000 0.330) 10.111 33.352 ( -3.373 0.000 0.177) 3.378 33.366 ( -4.230 0.000 -3.394) 5.423 33.727 ( 2.954 0.000 8.927) 9.403 33.863 ( 7.695 0.000 -5.628) 9.534 33.968 ( -3.977 0.000 11.358) 12.034 34.050 ( 5.795 0.000 1.340) 5.948 34.569 ( 0.670 0.000 8.010) 8.038 34.658 ( 6.489 0.000 -0.218) 6.493 34.940 ( -0.136 0.000 5.123) 5.125 35.039 ( 7.759 0.000 -4.403) 8.921 36.058 ( 5.696 0.000 -3.236) 6.551 36.144 ( -8.296 0.000 5.432) 9.916 90.910 ( 0.277 0.000 1.603) 1.626 90.994 ( -1.286 0.000 -0.993) 1.625 91.699 ( -0.288 0.000 -8.150) 8.155 91.936 ( -5.870 0.000 -10.653) 12.163 93.566 ( -0.193 0.000 1.062) 1.079 93.582 ( 0.218 0.000 -1.409) 1.426 94.354 ( -8.775 0.000 0.457) 8.787 94.364 ( 1.632 0.000 -3.076) 3.482 95.294 ( 16.454 0.000 -27.025) 31.640 95.640 ( -29.246 0.000 -44.688) 53.408 96.441 ( 34.113 0.000 12.577) 36.357 97.635 ( -18.860 0.000 -1.916) 18.957 98.057 ( -0.045 0.000 0.680) 0.681 98.115 ( -1.013 0.000 -0.343) 1.069 98.498 ( 2.708 0.000 -7.420) 7.899 98.549 ( -29.616 0.000 12.398) 32.106 102.388 ( 0.284 0.000 0.230) 0.366 102.416 ( -0.003 0.000 -0.377) 0.377 102.726 ( 0.355 0.000 2.406) 2.432 102.749 ( 2.845 0.000 -1.054) 3.034 107.570 ( 0.202 0.000 0.573) 0.607 107.605 ( 0.121 0.000 -0.569) 0.582 107.901 ( 1.956 0.000 1.473) 2.448 107.982 ( 0.151 0.000 1.828) 1.834 ======================= Grid point 191 (83/126) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 41.392 0.000 -24.226) 47.960 1.689 ( -36.555 0.000 -29.861) 47.201 2.341 ( -21.736 0.000 8.883) 23.481 2.536 ( 29.486 0.000 -9.486) 30.974 3.116 ( -24.569 0.000 7.584) 25.713 3.268 ( 16.809 0.000 -6.385) 17.981 4.357 ( -52.285 0.000 5.215) 52.544 4.418 ( 59.028 0.000 -0.590) 59.031 4.622 ( 41.960 0.000 0.806) 41.968 4.679 ( -50.341 0.000 -4.061) 50.505 5.549 ( -9.188 0.000 21.108) 23.021 5.749 ( 8.851 0.000 3.377) 9.473 6.813 ( -20.808 0.000 1.530) 20.864 6.876 ( 17.922 0.000 -5.213) 18.665 7.023 ( 1.860 0.000 1.923) 2.676 7.091 ( -2.380 0.000 -3.971) 4.629 7.219 ( 7.703 0.000 14.624) 16.529 7.496 ( 3.226 0.000 -7.601) 8.258 7.529 ( 5.957 0.000 5.248) 7.938 7.569 ( -6.231 0.000 2.103) 6.576 7.587 ( -11.258 0.000 -2.286) 11.488 7.605 ( 4.793 0.000 -2.590) 5.448 8.010 ( 4.280 0.000 1.643) 4.585 8.077 ( -3.828 0.000 -4.393) 5.827 8.558 ( 1.461 0.000 0.901) 1.716 8.624 ( -1.505 0.000 -5.052) 5.271 8.781 ( -4.215 0.000 3.073) 5.217 8.811 ( 6.098 0.000 0.933) 6.169 9.256 ( 1.912 0.000 9.798) 9.983 9.484 ( -1.508 0.000 -8.550) 8.682 9.546 ( -4.247 0.000 2.474) 4.915 9.651 ( 4.693 0.000 -5.513) 7.240 10.029 ( -4.516 0.000 3.999) 6.032 10.150 ( 3.870 0.000 -6.825) 7.846 10.431 ( -7.889 0.000 3.926) 8.812 10.500 ( 11.733 0.000 -1.581) 11.839 10.548 ( -17.930 0.000 2.005) 18.042 10.621 ( 5.017 0.000 0.351) 5.029 10.672 ( 5.015 0.000 2.339) 5.534 10.825 ( 1.308 0.000 -6.889) 7.012 11.018 ( 5.410 0.000 4.069) 6.770 11.026 ( 4.555 0.000 7.247) 8.560 11.045 ( -8.758 0.000 1.553) 8.895 11.093 ( -2.919 0.000 -0.853) 3.041 11.281 ( -1.819 0.000 1.062) 2.106 11.401 ( 5.996 0.000 -9.196) 10.978 11.516 ( 9.278 0.000 -0.845) 9.316 11.590 ( -8.893 0.000 -6.201) 10.842 11.991 ( -2.774 0.000 6.615) 7.173 12.148 ( -12.520 0.000 -2.102) 12.695 12.148 ( 13.153 0.000 -0.191) 13.154 12.208 ( 8.607 0.000 -2.588) 8.988 12.292 ( -5.626 0.000 -1.585) 5.845 12.302 ( 4.280 0.000 -9.912) 10.797 12.809 ( -0.202 0.000 4.928) 4.932 12.840 ( -1.223 0.000 1.683) 2.080 12.994 ( -8.283 0.000 2.720) 8.718 13.028 ( 4.953 0.000 -0.558) 4.984 13.281 ( 0.169 0.000 3.814) 3.818 13.358 ( 4.080 0.000 -3.087) 5.117 13.606 ( 0.776 0.000 4.502) 4.569 13.685 ( 0.318 0.000 -2.701) 2.720 13.962 ( -11.396 0.000 0.214) 11.398 14.001 ( 9.955 0.000 -2.502) 10.264 14.217 ( -4.681 0.000 7.060) 8.471 14.368 ( 4.038 0.000 -6.684) 7.809 14.772 ( -0.727 0.000 3.211) 3.292 14.827 ( 0.610 0.000 -1.924) 2.018 15.215 ( 1.029 0.000 5.482) 5.577 15.227 ( -3.258 0.000 8.597) 9.193 15.434 ( 5.133 0.000 2.532) 5.724 15.512 ( -2.251 0.000 5.757) 6.181 15.647 ( 0.041 0.000 -8.473) 8.473 15.682 ( -2.639 0.000 -5.294) 5.915 16.029 ( -1.264 0.000 9.756) 9.838 16.035 ( -1.290 0.000 10.682) 10.760 16.259 ( 1.659 0.000 -3.106) 3.521 16.276 ( -3.636 0.000 -2.242) 4.272 16.345 ( 2.034 0.000 3.895) 4.394 16.451 ( 0.372 0.000 -5.316) 5.329 16.702 ( 4.158 0.000 -7.721) 8.770 16.828 ( -9.803 0.000 -17.592) 20.139 17.545 ( 2.850 0.000 1.606) 3.271 17.581 ( -5.334 0.000 -2.438) 5.864 17.709 ( 1.757 0.000 1.762) 2.489 17.824 ( -1.028 0.000 -7.426) 7.497 18.158 ( 5.994 0.000 2.149) 6.368 18.188 ( -9.257 0.000 -3.162) 9.783 18.579 ( -0.948 0.000 5.596) 5.676 18.675 ( -0.015 0.000 -3.065) 3.065 18.839 ( 0.164 0.000 0.432) 0.462 18.876 ( -2.119 0.000 -4.096) 4.612 19.487 ( 0.596 0.000 1.335) 1.463 19.545 ( -1.010 0.000 -3.912) 4.040 20.535 ( 7.043 0.000 8.797) 11.269 20.550 ( 4.377 0.000 2.879) 5.239 20.811 ( 2.436 0.000 7.976) 8.340 21.017 ( -3.414 0.000 -6.973) 7.764 21.303 ( 20.427 0.000 18.573) 27.608 21.629 ( -15.437 0.000 -11.338) 19.153 23.773 ( -7.592 0.000 3.483) 8.353 23.829 ( 8.675 0.000 -1.501) 8.804 24.286 ( 0.230 0.000 22.296) 22.298 24.653 ( -3.624 0.000 -3.456) 5.008 24.905 ( 5.652 0.000 6.930) 8.942 24.988 ( 10.149 0.000 -0.900) 10.189 25.007 ( -4.693 0.000 -1.911) 5.067 25.107 ( 0.414 0.000 -4.630) 4.648 25.393 ( 7.093 0.000 -3.837) 8.064 25.615 ( -10.249 0.000 -25.787) 27.749 26.348 ( -5.089 0.000 6.491) 8.248 26.506 ( -0.163 0.000 -9.873) 9.874 26.864 ( 7.798 0.000 4.603) 9.055 26.988 ( -2.513 0.000 -7.296) 7.716 27.841 ( 0.938 0.000 15.904) 15.932 28.182 ( -4.557 0.000 -9.664) 10.685 28.893 ( 5.219 0.000 13.548) 14.519 29.258 ( -5.591 0.000 -12.655) 13.835 29.422 ( 0.746 0.000 0.666) 1.001 29.450 ( 0.488 0.000 1.845) 1.908 29.734 ( -2.224 0.000 -1.812) 2.869 29.748 ( 1.071 0.000 -2.669) 2.876 30.619 ( 2.398 0.000 1.062) 2.622 30.644 ( -4.864 0.000 -1.437) 5.071 31.530 ( -6.905 0.000 1.255) 7.019 31.534 ( 10.123 0.000 1.254) 10.201 32.012 ( 2.312 0.000 1.145) 2.580 32.028 ( -4.805 0.000 -0.281) 4.813 32.223 ( 2.690 0.000 2.931) 3.978 32.301 ( -2.291 0.000 -3.995) 4.606 32.565 ( 7.037 0.000 1.924) 7.295 32.619 ( -7.535 0.000 -2.961) 8.096 33.311 ( -1.282 0.000 -0.339) 1.326 33.328 ( 3.036 0.000 -2.034) 3.654 33.792 ( -4.799 0.000 5.084) 6.991 33.900 ( 6.146 0.000 -5.100) 7.987 34.020 ( -6.986 0.000 8.953) 11.356 34.140 ( 6.897 0.000 -1.525) 7.063 34.659 ( -3.458 0.000 7.280) 8.059 34.747 ( 5.548 0.000 -0.536) 5.574 34.969 ( -4.659 0.000 5.046) 6.868 35.076 ( 5.021 0.000 -4.525) 6.759 36.074 ( -9.076 0.000 3.673) 9.791 36.134 ( 8.440 0.000 -1.802) 8.630 90.943 ( 1.210 0.000 1.417) 1.863 90.959 ( -1.310 0.000 -0.883) 1.580 91.611 ( -0.653 0.000 -4.020) 4.073 91.717 ( -1.515 0.000 -11.906) 12.002 93.573 ( -0.381 0.000 0.506) 0.634 93.575 ( 0.464 0.000 -0.171) 0.494 94.271 ( -4.706 0.000 2.587) 5.370 94.371 ( 5.162 0.000 -4.100) 6.592 95.047 ( -7.118 0.000 -13.251) 15.042 95.147 ( 9.831 0.000 -24.659) 26.546 97.094 ( 33.200 0.000 9.208) 34.453 97.219 ( -33.733 0.000 -2.480) 33.824 98.072 ( 0.699 0.000 1.004) 1.224 98.092 ( -0.929 0.000 -0.732) 1.183 98.378 ( -13.867 0.000 8.859) 16.455 98.532 ( 12.974 0.000 -5.553) 14.113 102.398 ( 0.331 0.000 0.445) 0.555 102.408 ( -0.296 0.000 -0.533) 0.610 102.739 ( -1.736 0.000 1.677) 2.414 102.771 ( 2.167 0.000 -1.176) 2.465 107.581 ( 0.224 0.000 0.690) 0.726 107.597 ( -0.085 0.000 -0.724) 0.728 107.952 ( 2.089 0.000 1.825) 2.774 107.973 ( -2.267 0.000 -0.123) 2.271 ======================= Grid point 192 (84/126) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -37.777 0.000 1.840) 37.822 1.952 ( -35.697 0.000 3.819) 35.901 2.175 ( 43.463 0.000 7.758) 44.150 2.500 ( -16.185 0.000 -10.898) 19.512 3.107 ( 2.565 0.000 8.882) 9.245 3.437 ( -62.420 0.000 2.191) 62.458 3.476 ( 8.446 0.000 -5.667) 10.171 3.796 ( -49.288 0.000 -2.183) 49.337 5.291 ( 57.760 0.000 -1.934) 57.793 5.324 ( 34.155 0.000 2.904) 34.278 5.689 ( 0.243 0.000 8.234) 8.238 5.952 ( 30.348 0.000 -10.628) 32.156 6.455 ( -31.202 0.000 3.039) 31.349 7.006 ( 8.031 0.000 0.548) 8.049 7.087 ( 6.852 0.000 -1.912) 7.114 7.153 ( 4.357 0.000 0.147) 4.360 7.208 ( -9.085 0.000 -10.191) 13.653 7.393 ( -2.118 0.000 6.046) 6.406 7.528 ( 2.203 0.000 -3.654) 4.267 7.570 ( 2.766 0.000 -1.569) 3.180 7.753 ( 13.007 0.000 5.782) 14.234 7.766 ( 17.249 0.000 -1.088) 17.283 7.972 ( -3.229 0.000 -2.013) 3.805 8.106 ( 4.332 0.000 2.105) 4.817 8.539 ( -3.049 0.000 -2.951) 4.243 8.588 ( -1.182 0.000 3.707) 3.890 8.722 ( -6.829 0.000 -0.045) 6.829 8.860 ( 2.988 0.000 -3.212) 4.387 9.303 ( -4.101 0.000 -10.742) 11.498 9.411 ( 0.001 0.000 10.293) 10.293 9.502 ( -10.106 0.000 4.274) 10.972 9.611 ( -0.778 0.000 -4.852) 4.914 9.983 ( -10.360 0.000 6.478) 12.219 10.071 ( -7.116 0.000 -3.537) 7.946 10.177 ( -25.065 0.000 4.095) 25.398 10.190 ( -22.598 0.000 -1.922) 22.680 10.570 ( -5.673 0.000 1.327) 5.826 10.711 ( 3.604 0.000 0.652) 3.662 10.742 ( -3.705 0.000 3.143) 4.859 10.798 ( 2.058 0.000 -2.627) 3.337 10.923 ( -1.495 0.000 -1.922) 2.435 11.004 ( -6.472 0.000 -5.608) 8.564 11.154 ( 1.977 0.000 4.902) 5.286 11.196 ( 9.480 0.000 2.240) 9.741 11.394 ( 13.180 0.000 -0.166) 13.181 11.443 ( 0.123 0.000 -5.467) 5.469 11.467 ( 14.938 0.000 -4.448) 15.586 11.670 ( 6.410 0.000 3.927) 7.517 11.959 ( -9.550 0.000 -0.587) 9.568 12.032 ( -4.072 0.000 6.251) 7.460 12.123 ( 2.170 0.000 -13.967) 14.134 12.219 ( -1.123 0.000 2.890) 3.100 12.382 ( 15.530 0.000 -0.759) 15.548 12.390 ( 9.166 0.000 1.435) 9.278 12.839 ( 0.616 0.000 -0.295) 0.683 12.868 ( 2.580 0.000 1.254) 2.869 12.926 ( -6.492 0.000 3.121) 7.203 13.103 ( 5.125 0.000 0.762) 5.181 13.293 ( -1.722 0.000 0.715) 1.864 13.318 ( -1.499 0.000 -6.350) 6.524 13.633 ( -1.155 0.000 -3.932) 4.098 13.670 ( 1.380 0.000 1.778) 2.250 13.817 ( -11.284 0.000 3.216) 11.733 14.060 ( -1.438 0.000 1.314) 1.948 14.330 ( 9.159 0.000 4.950) 10.411 14.365 ( 7.764 0.000 -6.222) 9.949 14.810 ( 0.796 0.000 2.475) 2.599 14.824 ( 2.966 0.000 -2.605) 3.948 15.240 ( 0.095 0.000 -0.750) 0.756 15.303 ( 2.402 0.000 4.267) 4.897 15.400 ( -4.877 0.000 -10.528) 11.603 15.529 ( -4.497 0.000 -0.618) 4.539 15.644 ( 8.318 0.000 4.313) 9.370 15.688 ( 4.227 0.000 5.082) 6.611 16.101 ( 1.591 0.000 -1.152) 1.964 16.109 ( 1.828 0.000 0.029) 1.828 16.192 ( -5.438 0.000 -0.660) 5.478 16.295 ( 0.760 0.000 1.530) 1.708 16.352 ( -3.977 0.000 -6.546) 7.659 16.406 ( -0.370 0.000 3.937) 3.954 16.577 ( -5.412 0.000 2.776) 6.082 16.795 ( 3.437 0.000 11.885) 12.371 17.409 ( -14.468 0.000 -3.259) 14.831 17.589 ( 0.875 0.000 10.472) 10.508 17.766 ( 2.810 0.000 -3.543) 4.522 17.784 ( 1.777 0.000 3.831) 4.223 18.078 ( -5.525 0.000 0.679) 5.567 18.277 ( 5.937 0.000 2.628) 6.492 18.631 ( 0.049 0.000 -4.338) 4.339 18.636 ( -0.067 0.000 5.502) 5.503 18.819 ( -2.640 0.000 -0.414) 2.672 18.838 ( -2.574 0.000 3.653) 4.468 19.499 ( 0.224 0.000 -2.094) 2.106 19.529 ( 1.040 0.000 3.235) 3.398 20.527 ( -3.108 0.000 -4.040) 5.097 20.554 ( -3.326 0.000 -14.796) 15.165 20.837 ( -3.764 0.000 -8.233) 9.053 21.006 ( 4.397 0.000 8.135) 9.248 21.202 ( -14.168 0.000 -18.089) 22.977 21.778 ( 16.493 0.000 10.165) 19.373 23.717 ( -4.819 0.000 1.664) 5.098 23.949 ( 11.635 0.000 -4.408) 12.442 24.471 ( -1.868 0.000 -21.247) 21.329 24.529 ( -2.868 0.000 18.956) 19.172 24.840 ( -8.671 0.000 -5.202) 10.112 24.959 ( -1.878 0.000 -10.219) 10.390 25.104 ( 3.838 0.000 4.117) 5.629 25.144 ( 13.039 0.000 -4.264) 13.718 25.285 ( -6.066 0.000 -1.262) 6.196 25.609 ( 11.791 0.000 13.962) 18.275 26.316 ( -12.015 0.000 7.148) 13.981 26.376 ( -5.624 0.000 -0.389) 5.638 26.919 ( 4.961 0.000 -5.555) 7.448 27.068 ( 13.378 0.000 1.195) 13.431 27.930 ( -4.464 0.000 -13.726) 14.434 28.107 ( 2.074 0.000 18.335) 18.452 28.927 ( -7.958 0.000 -16.442) 18.267 29.201 ( 4.293 0.000 17.077) 17.608 29.425 ( -0.800 0.000 -2.964) 3.070 29.465 ( 0.888 0.000 -0.737) 1.154 29.711 ( -1.414 0.000 1.970) 2.425 29.749 ( 1.268 0.000 0.608) 1.406 30.580 ( -2.830 0.000 1.547) 3.225 30.655 ( -2.296 0.000 1.342) 2.660 31.391 ( -9.041 0.000 -0.188) 9.043 31.612 ( 2.656 0.000 -2.963) 3.979 32.014 ( 2.171 0.000 -0.169) 2.177 32.115 ( 6.994 0.000 2.159) 7.320 32.138 ( -11.464 0.000 -3.853) 12.094 32.243 ( -4.054 0.000 3.820) 5.570 32.562 ( 3.004 0.000 -1.492) 3.354 32.764 ( 13.629 0.000 2.173) 13.801 33.331 ( 4.896 0.000 0.213) 4.900 33.375 ( 5.977 0.000 -1.938) 6.283 33.749 ( -8.342 0.000 4.443) 9.451 33.891 ( 1.897 0.000 -6.266) 6.547 34.008 ( -6.793 0.000 5.257) 8.590 34.203 ( 8.405 0.000 -7.562) 11.306 34.642 ( -6.489 0.000 2.347) 6.900 34.763 ( 1.857 0.000 -7.175) 7.411 34.939 ( -7.792 0.000 4.794) 9.149 35.061 ( 1.185 0.000 -5.639) 5.762 35.989 ( -7.894 0.000 3.038) 8.459 36.233 ( 8.505 0.000 -2.626) 8.901 90.936 ( -0.847 0.000 -0.603) 1.040 90.974 ( 1.519 0.000 0.524) 1.607 91.623 ( 0.950 0.000 -2.673) 2.837 91.626 ( -0.179 0.000 10.826) 10.828 93.568 ( -0.433 0.000 -0.151) 0.458 93.582 ( 0.488 0.000 -0.190) 0.523 94.269 ( -2.915 0.000 5.016) 5.802 94.398 ( 7.985 0.000 -5.903) 9.929 94.935 ( -4.892 0.000 5.056) 7.035 95.053 ( 4.104 0.000 1.403) 4.337 96.643 ( -37.253 0.000 -5.763) 37.696 97.564 ( 18.624 0.000 4.642) 19.194 98.074 ( -0.234 0.000 -0.786) 0.820 98.101 ( 1.262 0.000 0.954) 1.582 98.339 ( -6.421 0.000 7.596) 9.946 98.742 ( 26.300 0.000 -6.056) 26.988 102.396 ( -0.416 0.000 -0.480) 0.635 102.407 ( 0.170 0.000 0.452) 0.483 102.724 ( -2.772 0.000 1.247) 3.039 102.777 ( 1.283 0.000 -2.123) 2.480 107.585 ( -0.192 0.000 -0.787) 0.810 107.592 ( 0.048 0.000 0.607) 0.609 107.929 ( -2.575 0.000 -0.926) 2.737 108.000 ( 1.896 0.000 0.662) 2.009 ======================= Grid point 193 (85/126) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -4.418 0.000 64.586) 64.737 1.431 ( -42.663 0.000 6.871) 43.213 2.038 ( -26.895 0.000 -10.189) 28.760 2.387 ( -71.067 0.000 3.695) 71.163 2.738 ( -58.165 0.000 -7.537) 58.651 2.972 ( 38.173 0.000 16.891) 41.743 3.442 ( 12.678 0.000 6.137) 14.085 3.786 ( 16.146 0.000 -4.543) 16.773 5.625 ( 19.396 0.000 -10.213) 21.921 5.710 ( 2.874 0.000 -10.021) 10.425 6.011 ( -5.426 0.000 2.586) 6.011 6.060 ( 16.226 0.000 6.413) 17.448 6.338 ( 27.838 0.000 -10.305) 29.684 6.883 ( 2.046 0.000 -12.336) 12.504 7.160 ( 9.089 0.000 2.008) 9.308 7.225 ( 12.209 0.000 0.518) 12.220 7.317 ( 7.395 0.000 1.635) 7.574 7.395 ( -3.651 0.000 3.282) 4.910 7.529 ( 7.417 0.000 -7.980) 10.895 7.560 ( 0.176 0.000 -0.692) 0.714 7.811 ( 1.928 0.000 -11.171) 11.336 8.033 ( 13.337 0.000 5.207) 14.317 8.073 ( 9.561 0.000 3.954) 10.346 8.178 ( 1.412 0.000 3.585) 3.853 8.459 ( -2.993 0.000 -2.034) 3.618 8.589 ( -7.494 0.000 -2.155) 7.797 8.622 ( -3.149 0.000 5.189) 6.070 8.840 ( 1.349 0.000 -3.153) 3.430 9.118 ( -6.086 0.000 -6.502) 8.906 9.330 ( -19.234 0.000 1.974) 19.335 9.444 ( -11.755 0.000 3.932) 12.396 9.515 ( -2.678 0.000 -3.462) 4.377 9.747 ( -24.191 0.000 -0.788) 24.204 9.797 ( -22.032 0.000 -1.941) 22.118 10.022 ( -7.366 0.000 12.933) 14.883 10.052 ( 0.412 0.000 -1.858) 1.903 10.504 ( -7.180 0.000 4.573) 8.513 10.637 ( -11.951 0.000 -0.246) 11.954 10.739 ( -1.961 0.000 1.727) 2.613 10.743 ( -2.526 0.000 -0.399) 2.557 10.905 ( 1.485 0.000 -2.037) 2.521 10.964 ( 2.132 0.000 0.685) 2.240 11.134 ( -5.316 0.000 -12.788) 13.849 11.213 ( 0.487 0.000 1.676) 1.746 11.427 ( 3.189 0.000 2.252) 3.904 11.591 ( 13.384 0.000 -0.206) 13.386 11.659 ( 5.428 0.000 4.000) 6.743 11.760 ( -1.385 0.000 5.169) 5.351 11.907 ( 5.154 0.000 -0.043) 5.154 12.050 ( 0.479 0.000 0.864) 0.987 12.132 ( 9.801 0.000 1.311) 9.889 12.288 ( 2.868 0.000 4.796) 5.588 12.495 ( 2.763 0.000 1.532) 3.159 12.574 ( 11.317 0.000 -1.058) 11.366 12.866 ( -4.577 0.000 -0.030) 4.577 12.893 ( 6.830 0.000 -0.639) 6.860 12.917 ( 5.381 0.000 -1.527) 5.593 13.156 ( -2.308 0.000 -7.863) 8.194 13.186 ( 0.167 0.000 -1.564) 1.573 13.274 ( 0.032 0.000 0.235) 0.238 13.581 ( -0.968 0.000 -1.151) 1.504 13.694 ( -0.864 0.000 0.902) 1.249 13.708 ( -8.601 0.000 3.726) 9.374 13.999 ( -9.120 0.000 1.269) 9.208 14.439 ( 10.864 0.000 -4.111) 11.616 14.552 ( 14.048 0.000 1.363) 14.114 14.840 ( 4.405 0.000 -3.661) 5.727 14.849 ( 0.967 0.000 1.353) 1.663 15.233 ( 1.129 0.000 -9.698) 9.763 15.247 ( 4.360 0.000 -2.317) 4.937 15.399 ( 2.094 0.000 5.554) 5.935 15.453 ( -4.274 0.000 -0.351) 4.288 15.696 ( -1.907 0.000 -7.830) 8.059 15.806 ( 8.275 0.000 0.017) 8.275 16.022 ( -3.726 0.000 -1.136) 3.896 16.031 ( 1.447 0.000 -14.883) 14.953 16.202 ( -4.623 0.000 -6.015) 7.586 16.331 ( 5.079 0.000 15.086) 15.918 16.371 ( 0.606 0.000 8.683) 8.704 16.434 ( -1.225 0.000 3.447) 3.658 16.643 ( -1.119 0.000 10.494) 10.554 16.842 ( -10.932 0.000 3.008) 11.338 17.139 ( -17.820 0.000 -0.555) 17.829 17.726 ( -6.478 0.000 -0.070) 6.478 17.771 ( 2.617 0.000 -2.729) 3.781 17.981 ( 11.777 0.000 3.890) 12.403 18.014 ( -4.038 0.000 -0.330) 4.052 18.387 ( 0.471 0.000 5.452) 5.472 18.574 ( 0.383 0.000 -4.695) 4.711 18.675 ( -2.540 0.000 -1.364) 2.883 18.776 ( -2.704 0.000 -0.624) 2.775 19.204 ( 30.905 0.000 45.242) 54.790 19.504 ( 2.068 0.000 0.562) 2.143 19.586 ( 0.191 0.000 3.758) 3.763 19.863 ( -32.088 0.000 -38.722) 50.290 20.451 ( -1.146 0.000 -1.328) 1.755 20.702 ( -2.967 0.000 -7.713) 8.264 20.959 ( -1.346 0.000 -3.126) 3.403 21.088 ( 0.434 0.000 -0.916) 1.013 22.016 ( 7.244 0.000 1.444) 7.387 23.653 ( -4.916 0.000 -0.830) 4.986 23.981 ( 5.368 0.000 -11.436) 12.633 24.137 ( -2.034 0.000 -16.185) 16.312 24.657 ( -5.605 0.000 8.181) 9.917 24.710 ( -7.981 0.000 6.624) 10.372 24.925 ( 9.534 0.000 0.522) 9.548 25.133 ( 0.998 0.000 0.704) 1.221 25.266 ( 13.170 0.000 -6.848) 14.844 25.316 ( -1.859 0.000 4.889) 5.230 25.982 ( 3.164 0.000 18.144) 18.417 26.205 ( -9.999 0.000 8.617) 13.199 26.387 ( 3.933 0.000 5.086) 6.429 26.997 ( 8.339 0.000 1.991) 8.574 27.274 ( 13.015 0.000 1.488) 13.100 27.788 ( 0.114 0.000 -2.904) 2.906 28.187 ( -5.757 0.000 -6.756) 8.877 28.767 ( -0.983 0.000 5.614) 5.699 29.188 ( -5.531 0.000 -9.470) 10.966 29.433 ( 0.469 0.000 -4.802) 4.825 29.572 ( 4.349 0.000 13.432) 14.118 29.704 ( -2.895 0.000 0.651) 2.967 29.785 ( 0.315 0.000 2.271) 2.293 30.511 ( -15.034 0.000 -3.258) 15.383 30.573 ( -2.449 0.000 -1.900) 3.099 31.394 ( 5.986 0.000 4.906) 7.740 31.581 ( 1.003 0.000 -5.032) 5.131 31.887 ( -12.704 0.000 -3.665) 13.222 32.091 ( 4.054 0.000 0.817) 4.136 32.202 ( 1.167 0.000 0.331) 1.213 32.232 ( -2.774 0.000 3.369) 4.365 32.638 ( 6.906 0.000 1.643) 7.099 32.943 ( 9.428 0.000 -2.017) 9.642 33.414 ( 1.667 0.000 -2.447) 2.961 33.464 ( 10.890 0.000 1.374) 10.976 33.701 ( -5.492 0.000 5.509) 7.779 33.753 ( -7.027 0.000 -14.648) 16.246 33.960 ( -5.876 0.000 1.942) 6.189 34.097 ( -3.208 0.000 -16.337) 16.649 34.561 ( -6.125 0.000 0.168) 6.128 34.636 ( 0.091 0.000 -9.331) 9.331 34.873 ( -9.334 0.000 4.562) 10.389 34.967 ( -3.019 0.000 -5.870) 6.601 35.941 ( -5.151 0.000 4.983) 7.167 36.299 ( 6.652 0.000 -4.577) 8.075 90.918 ( -0.133 0.000 -0.876) 0.886 91.005 ( 1.204 0.000 0.715) 1.400 91.658 ( 1.423 0.000 4.730) 4.940 91.930 ( 10.703 0.000 18.748) 21.588 93.568 ( -0.170 0.000 0.954) 0.969 93.579 ( 0.265 0.000 -1.096) 1.128 94.305 ( -1.393 0.000 5.519) 5.693 94.518 ( 13.407 0.000 -0.031) 13.407 94.967 ( -7.237 0.000 12.193) 14.179 95.668 ( 38.262 0.000 63.268) 73.938 96.057 ( -27.514 0.000 -2.739) 27.650 97.772 ( 5.909 0.000 2.441) 6.394 98.066 ( 0.333 0.000 -0.592) 0.680 98.125 ( 0.785 0.000 0.273) 0.831 98.409 ( 2.047 0.000 12.229) 12.399 99.107 ( 32.612 0.000 -5.628) 33.094 102.386 ( -0.260 0.000 -0.227) 0.345 102.413 ( -0.087 0.000 0.298) 0.311 102.693 ( -3.465 0.000 0.917) 3.584 102.738 ( -1.871 0.000 -4.312) 4.701 107.573 ( -0.003 0.000 -0.660) 0.660 107.598 ( -0.164 0.000 0.496) 0.522 107.882 ( -2.087 0.000 -1.057) 2.339 107.992 ( -1.775 0.000 -3.865) 4.253 ======================= Grid point 194 (86/126) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -36.627 0.000 13.898) 39.175 1.354 ( -66.180 0.000 9.917) 66.918 1.628 ( -19.815 0.000 -13.777) 24.134 1.825 ( -45.720 0.000 -12.245) 47.332 1.980 ( 8.799 0.000 67.148) 67.722 3.649 ( 21.135 0.000 13.375) 25.011 3.664 ( 6.723 0.000 6.169) 9.124 3.939 ( 17.175 0.000 -7.729) 18.834 5.500 ( 3.141 0.000 -25.912) 26.101 5.672 ( -36.769 0.000 19.655) 41.693 5.731 ( 20.385 0.000 -18.338) 27.420 6.209 ( -8.739 0.000 -17.899) 19.918 6.660 ( 33.660 0.000 3.941) 33.890 7.087 ( 25.477 0.000 -5.188) 26.000 7.307 ( 5.286 0.000 3.315) 6.240 7.318 ( -4.246 0.000 1.903) 4.653 7.351 ( 2.286 0.000 -3.285) 4.002 7.463 ( 7.652 0.000 0.546) 7.671 7.529 ( 7.815 0.000 -7.762) 11.015 7.599 ( -0.842 0.000 -7.983) 8.028 7.753 ( 9.019 0.000 6.636) 11.197 8.161 ( -1.578 0.000 2.317) 2.803 8.173 ( 5.081 0.000 -3.956) 6.440 8.290 ( 1.167 0.000 7.163) 7.257 8.474 ( -3.032 0.000 -0.106) 3.034 8.476 ( 7.757 0.000 -0.701) 7.789 8.646 ( -3.692 0.000 6.096) 7.126 8.831 ( 0.238 0.000 -1.859) 1.874 8.964 ( -10.701 0.000 -1.121) 10.760 9.049 ( -15.391 0.000 0.343) 15.395 9.232 ( -16.462 0.000 -3.367) 16.802 9.303 ( -19.839 0.000 -3.103) 20.080 9.484 ( -9.417 0.000 -1.030) 9.473 9.551 ( -5.706 0.000 -2.755) 6.336 10.088 ( 4.338 0.000 1.367) 4.548 10.100 ( -3.981 0.000 9.431) 10.237 10.479 ( -6.537 0.000 6.584) 9.278 10.495 ( -7.360 0.000 2.559) 7.793 10.740 ( 2.104 0.000 -0.275) 2.122 10.741 ( -0.500 0.000 2.424) 2.475 10.907 ( 0.435 0.000 -1.312) 1.382 10.958 ( -4.837 0.000 1.928) 5.207 11.010 ( 4.028 0.000 -2.083) 4.534 11.205 ( -1.793 0.000 -1.449) 2.306 11.590 ( 8.064 0.000 7.540) 11.040 11.713 ( -2.433 0.000 5.479) 5.994 11.737 ( 2.271 0.000 2.711) 3.536 11.822 ( 4.571 0.000 3.895) 6.005 12.036 ( 8.435 0.000 -0.549) 8.453 12.046 ( 1.102 0.000 -3.841) 3.996 12.277 ( 8.812 0.000 -3.689) 9.553 12.385 ( 1.903 0.000 3.663) 4.128 12.596 ( 3.809 0.000 8.532) 9.344 12.666 ( 3.575 0.000 -1.293) 3.802 12.790 ( -3.061 0.000 -1.602) 3.455 12.927 ( 5.430 0.000 -9.580) 11.012 12.942 ( -2.904 0.000 -10.245) 10.649 13.031 ( 8.407 0.000 -1.165) 8.487 13.148 ( -3.723 0.000 -3.354) 5.011 13.366 ( 6.110 0.000 5.953) 8.530 13.545 ( -5.479 0.000 -0.852) 5.545 13.620 ( -7.965 0.000 3.453) 8.681 13.732 ( 1.831 0.000 1.326) 2.261 13.852 ( -7.846 0.000 -2.226) 8.156 14.552 ( 9.791 0.000 -2.373) 10.075 14.706 ( 6.280 0.000 -2.471) 6.749 14.857 ( 4.756 0.000 -3.793) 6.083 14.872 ( 0.883 0.000 -0.021) 0.884 15.200 ( 7.348 0.000 -5.716) 9.309 15.305 ( 5.845 0.000 -1.642) 6.071 15.378 ( -8.113 0.000 2.343) 8.444 15.461 ( -3.524 0.000 1.333) 3.768 15.597 ( 4.614 0.000 -3.829) 5.995 15.801 ( -2.840 0.000 -16.444) 16.687 15.896 ( 7.903 0.000 -4.163) 8.933 15.928 ( -11.084 0.000 2.952) 11.471 16.084 ( -1.893 0.000 -4.922) 5.273 16.340 ( -14.745 0.000 -2.509) 14.957 16.471 ( 2.000 0.000 3.377) 3.925 16.608 ( 1.092 0.000 15.720) 15.758 16.780 ( -2.631 0.000 8.768) 9.154 16.795 ( 8.369 0.000 7.491) 11.232 16.911 ( -13.890 0.000 1.743) 13.999 17.417 ( -31.066 0.000 0.303) 31.068 17.783 ( 2.948 0.000 -0.398) 2.974 17.959 ( -2.576 0.000 -0.221) 2.585 18.001 ( 3.195 0.000 -7.576) 8.222 18.368 ( -3.494 0.000 -6.683) 7.541 18.532 ( 1.835 0.000 -4.125) 4.515 18.598 ( -1.081 0.000 -3.064) 3.250 18.722 ( -2.773 0.000 -1.759) 3.284 18.850 ( -28.374 0.000 -12.690) 31.083 19.545 ( 2.593 0.000 1.705) 3.103 19.616 ( -1.693 0.000 2.589) 3.093 20.480 ( 3.177 0.000 3.515) 4.738 20.552 ( 15.495 0.000 1.823) 15.602 20.798 ( 19.198 0.000 8.028) 20.809 21.005 ( -3.980 0.000 -7.427) 8.426 21.021 ( 29.590 0.000 18.542) 34.920 22.049 ( -0.461 0.000 -3.773) 3.801 23.622 ( -0.885 0.000 2.852) 2.986 23.856 ( 0.195 0.000 -11.892) 11.894 24.190 ( 18.136 0.000 5.160) 18.855 24.635 ( -5.369 0.000 2.718) 6.017 24.796 ( -0.246 0.000 15.770) 15.772 25.116 ( 6.818 0.000 5.086) 8.506 25.174 ( 1.412 0.000 2.742) 3.084 25.320 ( -2.068 0.000 2.951) 3.604 25.347 ( 14.121 0.000 -11.567) 18.254 25.872 ( -15.924 0.000 -3.461) 16.296 26.502 ( 2.304 0.000 27.945) 28.039 26.619 ( 23.961 0.000 -1.096) 23.986 27.179 ( 6.860 0.000 7.965) 10.512 27.458 ( 9.397 0.000 -0.729) 9.425 27.846 ( 6.222 0.000 2.753) 6.804 27.899 ( -10.873 0.000 -13.439) 17.287 28.903 ( 2.318 0.000 8.687) 8.991 28.967 ( -7.063 0.000 -8.395) 10.971 29.376 ( 0.813 0.000 -5.091) 5.155 29.622 ( -4.761 0.000 -4.260) 6.389 29.750 ( -0.313 0.000 7.830) 7.837 29.800 ( -0.473 0.000 0.364) 0.597 30.245 ( -10.305 0.000 -5.715) 11.783 30.279 ( -27.564 0.000 -7.781) 28.642 31.541 ( 3.698 0.000 -5.122) 6.317 31.616 ( 9.588 0.000 7.063) 11.909 31.679 ( -9.954 0.000 -0.237) 9.957 32.157 ( -6.185 0.000 -0.438) 6.201 32.158 ( 3.762 0.000 0.428) 3.786 32.243 ( -0.277 0.000 -0.033) 0.279 32.789 ( 7.464 0.000 4.947) 8.954 32.981 ( 4.962 0.000 -4.356) 6.602 33.340 ( -15.471 0.000 -3.509) 15.864 33.348 ( -5.653 0.000 -2.080) 6.023 33.676 ( 12.108 0.000 -0.383) 12.114 33.736 ( -0.704 0.000 5.067) 5.115 33.902 ( -3.087 0.000 0.133) 3.090 33.927 ( -3.578 0.000 -1.867) 4.035 34.484 ( -4.834 0.000 0.390) 4.850 34.585 ( 5.258 0.000 -7.730) 9.349 34.793 ( -8.904 0.000 4.063) 9.787 34.854 ( -2.317 0.000 -4.786) 5.318 35.974 ( -1.924 0.000 7.804) 8.038 36.304 ( 3.929 0.000 -6.679) 7.749 90.916 ( 0.785 0.000 -0.061) 0.787 91.009 ( -0.568 0.000 -0.881) 1.048 91.767 ( 1.867 0.000 8.186) 8.396 92.138 ( 3.615 0.000 -2.771) 4.555 93.566 ( 0.198 0.000 -1.217) 1.233 93.569 ( -0.899 0.000 0.230) 0.928 94.373 ( -0.158 0.000 7.158) 7.160 94.677 ( 11.397 0.000 -5.401) 12.612 95.014 ( -7.699 0.000 12.430) 14.622 95.527 ( -18.600 0.000 -9.424) 20.851 97.481 ( 51.173 0.000 25.075) 56.986 97.840 ( 0.619 0.000 1.797) 1.901 98.070 ( 0.883 0.000 -0.042) 0.884 98.127 ( -0.189 0.000 -0.527) 0.559 99.032 ( 56.464 0.000 28.786) 63.379 99.487 ( 24.976 0.000 -2.206) 25.073 102.384 ( 0.098 0.000 0.084) 0.130 102.412 ( -0.420 0.000 -0.033) 0.422 102.612 ( -6.935 0.000 -2.786) 7.474 102.647 ( -3.778 0.000 0.212) 3.784 107.570 ( 0.523 0.000 -0.374) 0.643 107.598 ( -0.571 0.000 0.169) 0.595 107.843 ( -1.233 0.000 -1.280) 1.778 107.854 ( -8.066 0.000 -2.871) 8.562 ======================= Grid point 195 (87/126) ======================= q-point: ( 0.00 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 18.295 38.115 11.850) 43.908 1.501 ( -14.581 29.618 -13.732) 35.755 1.787 ( -19.467 59.813 10.374) 63.751 2.027 ( 17.131 52.937 -11.052) 56.727 2.969 ( 6.368 4.530 59.161) 59.674 3.982 ( 4.316 2.176 -26.822) 27.254 4.078 ( -0.818 27.411 3.138) 27.603 4.109 ( 0.297 27.406 -3.415) 27.619 5.387 ( -3.525 2.501 0.910) 4.417 5.433 ( -10.540 -2.969 9.550) 14.530 5.679 ( -17.842 7.263 -8.296) 20.974 6.005 ( 24.092 2.009 -21.355) 32.257 6.932 ( 9.692 -16.280 7.631) 20.426 7.121 ( -11.988 -16.015 -7.024) 21.203 7.180 ( -11.161 -6.530 0.082) 12.931 7.224 ( 11.223 -6.516 -1.979) 13.128 7.321 ( 2.690 0.225 2.109) 3.426 7.333 ( -2.459 -5.002 0.805) 5.631 7.475 ( 1.739 -2.289 0.888) 3.009 7.573 ( 3.228 -1.289 -7.298) 8.084 7.985 ( 1.595 -15.070 1.866) 15.269 8.036 ( -3.554 -13.717 -2.428) 14.377 8.188 ( -1.464 -7.837 1.230) 8.067 8.204 ( -1.089 -2.955 -0.128) 3.152 8.440 ( 0.089 -6.925 5.179) 8.648 8.497 ( 4.491 -11.301 5.438) 13.321 8.537 ( 0.463 -4.549 -1.765) 4.901 8.616 ( -3.872 -9.050 -3.312) 10.386 8.733 ( 1.206 4.025 2.406) 4.841 8.810 ( -0.656 0.942 -3.458) 3.644 9.092 ( 4.577 1.010 2.120) 5.144 9.158 ( -4.012 0.160 -3.328) 5.215 9.620 ( -3.886 9.268 1.789) 10.208 9.659 ( 3.675 10.888 -1.713) 11.619 10.127 ( -1.566 3.593 5.924) 7.103 10.234 ( 1.988 4.423 -3.975) 6.270 10.535 ( 3.234 4.452 4.571) 7.153 10.571 ( -3.928 6.922 1.896) 8.181 10.811 ( -0.553 0.796 5.143) 5.233 10.896 ( -3.482 3.670 -0.153) 5.061 10.948 ( 1.019 8.420 0.377) 8.490 10.971 ( 0.417 9.070 -2.078) 9.314 11.130 ( 0.054 4.656 -0.253) 4.664 11.193 ( 4.048 6.693 -5.280) 9.438 11.666 ( -0.190 -6.820 5.346) 8.667 11.736 ( -2.782 -4.220 0.943) 5.142 11.783 ( -0.227 -2.061 6.952) 7.255 11.866 ( 9.577 -2.940 -1.947) 10.206 11.978 ( -1.700 -1.950 0.961) 2.759 12.093 ( -2.553 0.596 -7.078) 7.548 12.250 ( 5.371 -14.826 3.632) 16.182 12.371 ( -4.541 -9.683 -5.733) 12.135 12.511 ( -2.281 -3.437 4.349) 5.994 12.630 ( -0.522 2.313 -3.407) 4.151 12.783 ( 1.279 -2.808 -1.189) 3.307 12.807 ( 0.903 -8.420 -5.106) 9.888 12.959 ( 1.806 0.452 2.673) 3.257 13.017 ( 0.756 -2.713 -2.816) 3.983 13.144 ( 6.930 5.552 1.022) 8.938 13.215 ( -8.084 3.707 -4.817) 10.114 13.503 ( 2.603 -1.650 4.989) 5.864 13.582 ( -3.535 1.017 -2.668) 4.544 13.877 ( 7.019 9.875 5.701) 13.390 14.011 ( -9.047 12.813 -6.190) 16.862 14.618 ( 1.918 -3.684 -1.194) 4.322 14.641 ( 0.726 -0.792 -2.906) 3.098 14.862 ( -0.650 0.672 0.922) 1.313 14.901 ( 1.206 1.718 -2.450) 3.226 15.225 ( -11.036 -2.836 3.385) 11.887 15.293 ( 4.899 -0.332 -3.185) 5.853 15.391 ( -5.899 0.294 0.210) 5.910 15.419 ( 10.000 4.429 -0.990) 10.981 15.613 ( 1.341 2.841 1.170) 3.352 15.742 ( -1.989 5.122 -8.652) 10.249 15.859 ( -3.898 -0.543 6.609) 7.692 15.933 ( 5.749 0.141 -1.557) 5.958 16.082 ( -6.118 4.381 -1.393) 7.653 16.140 ( 0.012 4.062 -3.939) 5.658 16.523 ( -0.056 -6.974 7.486) 10.231 16.601 ( 1.962 -6.990 0.971) 7.325 16.814 ( -1.002 -0.147 8.109) 8.172 16.893 ( 1.577 -1.299 2.422) 3.169 17.072 ( 9.859 0.924 3.745) 10.587 17.101 ( -14.501 1.166 0.569) 14.559 17.793 ( 3.574 -5.066 1.502) 6.379 17.873 ( -1.256 -2.961 -3.670) 4.880 18.111 ( 0.474 8.010 2.110) 8.297 18.196 ( -4.817 3.555 -4.887) 7.728 18.504 ( -3.685 -1.004 -1.268) 4.024 18.524 ( 1.820 -0.423 -3.204) 3.709 18.698 ( 4.943 7.296 1.163) 8.889 18.760 ( -6.253 8.070 -4.462) 11.142 19.595 ( 2.074 -0.733 1.647) 2.747 19.606 ( -2.056 -0.427 0.657) 2.201 20.519 ( 3.435 -7.571 3.720) 9.108 20.608 ( -2.322 -10.695 -4.159) 11.708 20.752 ( 7.473 5.488 4.000) 10.097 20.886 ( -6.679 3.405 -7.793) 10.814 21.461 ( 17.293 -18.577 17.900) 31.057 21.818 ( -10.313 -9.754 -16.428) 21.711 23.689 ( -0.439 4.672 3.190) 5.674 23.799 ( 0.030 5.260 -7.941) 9.525 24.382 ( 7.217 -10.967 4.407) 13.849 24.467 ( -4.416 -9.645 -3.394) 11.137 25.000 ( -8.657 1.540 9.328) 12.819 25.110 ( 5.680 -7.343 0.690) 9.309 25.198 ( 5.210 0.009 0.768) 5.266 25.277 ( 2.438 0.601 -5.973) 6.480 25.612 ( 8.931 9.016 5.504) 13.833 25.756 ( -9.754 12.389 -6.429) 17.028 26.633 ( 9.262 -15.605 11.523) 21.496 26.731 ( -9.412 -5.089 6.017) 12.276 27.279 ( 1.643 -9.822 1.609) 10.087 27.507 ( 3.811 5.829 -12.483) 14.295 27.861 ( -3.475 11.029 2.051) 11.744 27.949 ( 2.110 4.892 -3.845) 6.570 28.903 ( -4.042 3.698 5.533) 7.786 29.025 ( 4.446 2.961 -1.806) 5.639 29.471 ( 5.474 5.348 1.161) 7.740 29.551 ( -6.381 7.883 -5.170) 11.383 29.717 ( -8.007 -1.963 3.598) 8.995 29.791 ( 3.550 1.369 -2.495) 4.550 30.073 ( -3.636 4.466 2.437) 6.253 30.150 ( 2.443 2.518 -4.560) 5.753 31.517 ( -8.075 0.178 1.532) 8.221 31.567 ( 6.027 -0.172 -2.841) 6.665 31.866 ( 8.457 -2.416 6.425) 10.892 31.980 ( -5.858 -3.754 -4.395) 8.230 32.263 ( -0.366 3.917 0.552) 3.972 32.275 ( -0.010 4.185 -0.772) 4.256 32.879 ( -0.590 -2.889 5.811) 6.517 32.996 ( -0.076 -0.294 -5.126) 5.135 33.156 ( 1.349 -5.262 1.488) 5.632 33.200 ( 0.199 -5.613 -2.259) 6.053 33.791 ( -5.724 3.081 2.692) 7.036 33.856 ( 5.941 3.967 -2.991) 7.744 33.926 ( 3.490 4.218 1.558) 5.691 33.965 ( -2.403 4.762 -1.633) 5.579 34.552 ( -4.880 11.147 3.159) 12.572 34.661 ( 6.458 6.743 -5.163) 10.669 34.744 ( -4.289 2.833 1.139) 5.265 34.807 ( 2.983 0.033 -3.392) 4.517 36.051 ( -1.692 -0.863 9.104) 9.300 36.242 ( 1.428 -0.504 -8.451) 8.586 90.948 ( 1.127 0.803 1.275) 1.881 90.981 ( -1.431 0.853 -1.717) 2.393 91.872 ( 1.950 -3.237 7.840) 8.703 92.008 ( -1.901 -6.012 -4.130) 7.538 93.575 ( -0.129 2.012 0.072) 2.018 93.582 ( -0.055 2.178 -0.635) 2.269 94.458 ( -2.023 -1.415 9.160) 9.487 94.650 ( 0.886 -2.103 -8.522) 8.822 95.049 ( -1.452 -2.871 9.908) 10.418 95.254 ( 2.758 -4.139 -8.757) 10.071 97.585 ( 8.761 -33.723 14.898) 37.894 97.760 ( -2.203 -14.782 -4.827) 15.705 97.961 ( 1.829 -2.471 5.684) 6.462 98.083 ( -4.561 -3.270 -4.575) 7.241 99.338 ( -2.310 -21.849 10.568) 24.380 99.483 ( 2.545 -15.923 -3.838) 16.575 102.399 ( 0.676 0.765 0.331) 1.073 102.407 ( -0.784 0.823 -0.384) 1.200 102.649 ( 0.805 6.113 2.446) 6.633 102.720 ( 0.121 8.228 -4.508) 9.383 107.580 ( 0.684 0.010 -0.009) 0.684 107.582 ( -0.782 0.040 -0.174) 0.802 107.777 ( -0.928 -0.445 1.643) 1.939 107.812 ( 0.543 -0.617 -1.540) 1.746 ======================= Grid point 196 (88/126) ======================= q-point: ( 0.12 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 21.117 18.325 -12.557) 30.650 1.693 ( 12.277 29.797 12.125) 34.432 2.034 ( 38.680 50.334 9.560) 64.195 2.353 ( 43.430 52.142 -9.113) 68.469 3.369 ( -6.105 5.016 -54.776) 55.343 3.643 ( -2.957 3.647 34.902) 35.217 4.022 ( -9.985 24.318 0.412) 26.291 4.066 ( -6.424 27.780 -1.071) 28.533 5.136 ( -19.638 -0.611 3.458) 19.950 5.317 ( -25.995 7.380 18.035) 32.488 5.816 ( 17.981 -2.380 10.584) 21.000 6.165 ( 29.809 3.863 -17.448) 34.755 6.621 ( -33.946 -17.370 -6.815) 38.736 6.790 ( -30.630 -15.466 4.659) 34.628 7.224 ( -1.722 -4.393 3.737) 6.018 7.231 ( -7.167 -6.254 3.190) 10.032 7.314 ( -0.847 -3.910 -1.722) 4.356 7.423 ( 8.540 -1.814 -2.594) 9.108 7.455 ( -3.762 -3.847 0.224) 5.385 7.531 ( 2.633 1.818 -2.672) 4.168 7.943 ( -5.669 -2.649 0.645) 6.291 8.014 ( -11.332 -4.030 0.490) 12.038 8.210 ( 0.532 -3.872 0.077) 3.909 8.268 ( 11.652 -6.541 4.515) 14.104 8.415 ( -8.298 -1.254 -1.763) 8.576 8.535 ( 2.056 -4.028 -5.692) 7.270 8.626 ( 10.652 -14.446 1.899) 18.049 8.695 ( 15.511 -21.228 2.512) 26.411 8.735 ( -0.673 -1.908 -3.571) 4.104 8.812 ( 7.308 -2.846 2.291) 8.171 9.079 ( 0.775 -4.414 -1.098) 4.614 9.274 ( 11.005 2.830 1.305) 11.438 9.596 ( -0.336 4.925 0.831) 5.006 9.773 ( 11.445 10.044 -0.807) 15.249 10.165 ( -0.182 7.625 1.170) 7.717 10.242 ( 5.359 2.053 -2.074) 6.102 10.549 ( 1.270 4.765 -1.125) 5.058 10.650 ( 6.065 4.102 1.120) 7.407 10.819 ( -3.810 6.051 1.645) 7.337 10.848 ( -2.339 3.049 -0.503) 3.876 10.932 ( -1.054 7.255 1.667) 7.518 11.042 ( 4.052 7.802 1.425) 8.906 11.105 ( 2.387 5.071 -3.207) 6.457 11.221 ( 4.972 5.538 -2.619) 7.890 11.654 ( -11.668 -6.772 0.478) 13.500 11.739 ( 1.322 -6.745 -1.916) 7.135 11.764 ( 0.385 -2.443 0.857) 2.617 11.865 ( -0.351 0.691 -9.533) 9.565 11.997 ( 0.654 -0.603 -1.266) 1.547 12.054 ( 0.680 0.812 8.079) 8.148 12.199 ( -6.585 -7.731 -6.387) 11.996 12.344 ( -1.614 -16.797 3.952) 17.331 12.514 ( -4.324 3.788 4.641) 7.389 12.596 ( -1.720 -3.786 0.196) 4.163 12.749 ( -3.861 -8.424 -1.230) 9.348 12.791 ( 2.078 -1.493 -0.445) 2.597 12.913 ( -6.696 -1.245 0.566) 6.834 12.985 ( -5.306 8.475 -3.004) 10.441 13.077 ( 0.227 -0.489 -0.354) 0.645 13.299 ( 3.778 -5.242 0.567) 6.487 13.496 ( 1.825 2.007 0.455) 2.750 13.657 ( 7.349 0.139 1.776) 7.562 13.838 ( -3.485 10.125 -4.682) 11.686 14.072 ( 7.092 13.880 7.786) 17.424 14.531 ( -8.580 -0.405 -2.615) 8.979 14.623 ( -2.011 -3.768 -0.289) 4.281 14.808 ( -6.239 1.520 0.921) 6.488 14.889 ( -0.629 0.771 -0.609) 1.167 15.152 ( -6.211 -0.868 5.255) 8.182 15.236 ( -9.756 0.690 1.980) 9.979 15.423 ( 9.628 -2.623 -3.454) 10.560 15.530 ( 7.752 4.660 -2.026) 9.269 15.557 ( -8.687 3.467 -3.441) 9.966 15.649 ( -3.713 5.453 5.927) 8.869 15.825 ( -4.744 -0.397 -0.050) 4.761 16.020 ( 5.632 0.820 -1.125) 5.802 16.072 ( 1.366 3.600 1.367) 4.086 16.220 ( 10.583 -0.373 4.556) 11.528 16.520 ( -1.871 -5.191 -1.275) 5.664 16.703 ( 8.128 -8.392 -2.795) 12.012 16.860 ( -4.671 -0.813 -0.196) 4.745 16.904 ( 3.052 -2.127 -2.726) 4.612 16.964 ( 0.630 2.017 0.335) 2.139 17.377 ( 20.384 -0.407 4.883) 20.965 17.754 ( -4.303 -4.099 -3.569) 6.932 17.879 ( 2.286 -4.655 1.539) 5.409 18.104 ( -1.163 8.145 -0.893) 8.275 18.231 ( 5.557 5.828 5.952) 10.014 18.483 ( -0.354 2.099 2.541) 3.315 18.568 ( 5.762 -2.638 1.023) 6.419 18.662 ( -1.269 4.583 -2.323) 5.293 18.835 ( 9.533 8.347 5.404) 13.775 19.570 ( -2.633 -0.509 -0.875) 2.821 19.635 ( 1.509 -1.155 0.295) 1.923 20.481 ( -6.062 -7.505 -3.852) 10.389 20.611 ( 0.616 -9.747 0.764) 9.796 20.682 ( -6.994 3.913 -4.170) 9.035 20.916 ( 4.324 3.137 3.842) 6.580 21.309 ( -23.892 -10.853 -19.208) 32.520 21.817 ( 5.266 -12.340 11.355) 17.576 23.731 ( 0.963 4.403 -4.146) 6.124 23.742 ( 0.217 5.166 5.538) 7.577 24.251 ( -13.386 -5.402 -4.922) 15.251 24.522 ( 3.532 -14.708 1.381) 15.189 24.916 ( -13.367 -2.446 4.771) 14.402 25.115 ( -6.298 -3.393 0.338) 7.161 25.205 ( 5.607 2.822 -9.014) 10.984 25.304 ( 5.707 1.089 -2.605) 6.368 25.523 ( -7.738 9.712 -4.498) 13.207 25.896 ( 15.560 10.750 5.822) 19.788 26.444 ( -18.038 -7.004 -2.236) 19.479 26.956 ( 11.359 -11.357 2.222) 16.216 27.280 ( -5.667 -4.251 -14.589) 16.218 27.377 ( -3.739 1.724 6.235) 7.472 27.805 ( -7.771 8.502 1.484) 11.614 27.902 ( -3.583 8.723 2.692) 9.807 28.971 ( 0.768 1.693 4.693) 5.048 29.023 ( 4.904 4.932 -6.595) 9.585 29.379 ( -5.838 4.372 -0.500) 7.311 29.586 ( 2.884 3.797 3.042) 5.656 29.721 ( 1.328 -2.540 3.900) 4.840 29.883 ( 3.526 4.348 -2.449) 6.110 30.111 ( 11.034 -0.654 4.518) 11.941 30.276 ( 14.487 2.296 -0.475) 14.676 31.447 ( -5.156 0.916 3.621) 6.367 31.657 ( 8.226 -0.747 -0.622) 8.283 31.795 ( -8.124 -1.104 -6.897) 10.714 32.035 ( 5.007 -5.353 2.713) 7.816 32.251 ( -0.610 5.168 0.076) 5.204 32.262 ( -2.046 2.015 0.656) 2.946 32.862 ( -7.576 -1.780 -4.885) 9.189 32.885 ( -6.444 -0.856 5.481) 8.503 33.219 ( 6.433 -5.766 -1.598) 8.786 33.279 ( 9.236 -5.423 0.659) 10.731 33.717 ( -8.160 3.843 0.824) 9.057 33.876 ( -1.682 1.508 0.594) 2.335 33.912 ( 1.356 4.296 -2.419) 5.114 33.989 ( 3.526 6.267 -0.643) 7.219 34.529 ( -4.128 7.063 4.292) 9.238 34.648 ( 0.994 8.801 -4.609) 9.984 34.762 ( 5.158 1.894 2.461) 6.021 34.890 ( 9.629 2.214 -1.729) 10.030 36.129 ( -3.296 -0.884 6.862) 7.663 36.145 ( 0.158 -0.373 -6.493) 6.506 90.935 ( -1.734 0.946 -0.933) 2.185 90.988 ( 1.273 0.745 1.403) 2.036 91.906 ( -2.242 -3.898 -6.520) 7.921 91.982 ( 0.788 -4.452 5.479) 7.103 93.568 ( -0.436 1.937 0.186) 1.995 93.593 ( 1.267 2.213 0.132) 2.554 94.506 ( -7.209 -2.018 8.010) 10.964 94.519 ( -3.245 -0.681 -6.962) 7.711 95.247 ( 11.425 -4.191 10.903) 16.339 95.259 ( 14.315 -5.013 -12.696) 19.780 97.458 ( -21.623 -26.595 -12.450) 36.468 97.785 ( 2.050 -16.664 1.284) 16.838 97.972 ( -2.479 -0.968 -4.302) 5.059 98.094 ( 3.222 -8.088 7.736) 11.647 99.018 ( -37.509 -13.241 0.185) 39.778 99.427 ( -13.601 -7.816 -1.369) 15.746 102.394 ( -0.356 0.674 -0.294) 0.817 102.415 ( 0.775 0.809 0.382) 1.184 102.625 ( -0.817 4.721 -0.576) 4.825 102.766 ( 5.088 6.811 0.022) 8.501 107.567 ( -0.583 0.117 -0.019) 0.594 107.597 ( 1.004 -0.090 0.077) 1.011 107.804 ( 1.508 -0.886 1.101) 2.067 107.826 ( 3.436 -0.959 -0.495) 3.602 ======================= Grid point 197 (89/126) ======================= q-point: ( 0.25 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 40.509 10.478 -8.500) 42.697 2.108 ( 23.582 22.454 11.959) 34.690 2.512 ( 2.405 8.998 -56.634) 57.394 2.797 ( 40.265 34.449 1.061) 53.001 3.021 ( 53.959 37.801 -4.197) 66.016 3.518 ( -20.927 6.993 -18.547) 28.824 3.882 ( -9.789 25.639 -1.076) 27.466 3.920 ( -15.133 27.251 4.389) 31.478 5.164 ( -10.959 -2.167 28.347) 30.469 5.270 ( -16.697 5.211 25.865) 31.224 5.930 ( -38.005 -15.015 -4.657) 41.128 6.109 ( -11.279 -3.556 4.179) 12.543 6.362 ( 6.835 -5.351 -9.015) 12.515 6.535 ( 7.246 -1.424 6.878) 10.091 7.090 ( -9.048 -6.526 -1.766) 11.295 7.226 ( -5.343 -3.837 0.353) 6.588 7.257 ( -5.534 -7.214 2.025) 9.315 7.401 ( -4.458 1.478 2.946) 5.544 7.468 ( 0.262 -1.202 -2.552) 2.833 7.549 ( -2.255 -1.890 1.724) 3.410 7.738 ( -10.956 7.959 -2.364) 13.746 7.969 ( -5.014 -4.041 3.912) 7.535 8.175 ( -6.131 2.792 0.832) 6.789 8.285 ( -5.215 -6.349 -1.831) 8.418 8.440 ( 3.587 3.019 -0.221) 4.694 8.466 ( 4.048 -5.173 -4.905) 8.198 8.695 ( 0.650 -4.157 -1.725) 4.547 8.769 ( -0.911 -4.219 0.647) 4.364 8.900 ( 16.827 -15.229 0.867) 22.712 9.161 ( 22.046 -12.504 -0.275) 25.347 9.176 ( 21.422 -21.084 3.181) 30.225 9.418 ( 6.337 -0.276 1.648) 6.554 9.611 ( 3.021 -4.195 -1.842) 5.488 9.907 ( 7.351 1.169 -1.981) 7.703 10.176 ( 1.437 8.619 -0.749) 8.770 10.312 ( 6.949 5.148 -1.583) 8.792 10.572 ( 4.280 1.393 -2.489) 5.144 10.736 ( 2.622 2.512 1.790) 4.048 10.793 ( -3.426 2.997 0.538) 4.583 10.818 ( 3.007 6.459 -4.567) 8.462 10.893 ( -8.313 6.095 5.209) 11.549 11.102 ( 4.392 11.958 -1.469) 12.823 11.161 ( 6.515 7.745 -0.365) 10.128 11.245 ( 0.821 3.171 -0.471) 3.309 11.468 ( -10.958 -3.265 -0.302) 11.438 11.588 ( -1.803 1.573 -9.192) 9.498 11.811 ( 5.665 -1.036 -4.581) 7.358 11.883 ( 8.001 -3.935 -0.813) 8.953 11.972 ( -2.675 3.481 -2.557) 5.080 12.060 ( -4.503 -10.138 -1.171) 11.155 12.123 ( -4.032 6.410 4.464) 8.790 12.285 ( -6.611 -13.292 -1.590) 14.930 12.476 ( -4.228 4.284 -1.728) 6.262 12.584 ( -5.917 -9.216 5.002) 12.040 12.640 ( -8.472 -6.382 -0.830) 10.639 12.834 ( -7.048 0.747 4.834) 8.579 12.856 ( 1.298 -0.866 4.685) 4.938 12.918 ( -1.758 3.112 -0.454) 3.603 13.036 ( -5.081 -4.071 0.990) 6.586 13.331 ( 6.047 -7.166 -3.140) 9.888 13.560 ( 3.156 1.311 1.407) 3.696 13.745 ( 2.206 4.867 -1.390) 5.521 13.838 ( 8.132 11.073 0.155) 13.739 14.253 ( 1.840 9.065 6.945) 11.567 14.342 ( -10.540 4.540 -1.671) 11.597 14.580 ( -3.553 -0.701 0.068) 3.622 14.753 ( -5.632 0.779 4.383) 7.179 14.869 ( -0.853 0.036 -0.803) 1.172 15.095 ( -7.646 2.988 1.171) 8.292 15.189 ( -4.842 -5.027 7.486) 10.235 15.406 ( -6.099 2.716 -0.237) 6.680 15.506 ( 5.131 -2.283 -2.542) 6.165 15.571 ( 1.603 3.925 -2.536) 4.940 15.709 ( -0.336 2.933 8.734) 9.219 15.785 ( -1.708 -2.039 1.594) 3.101 16.047 ( 0.377 0.074 -1.474) 1.524 16.132 ( 3.103 1.219 2.821) 4.367 16.384 ( 1.571 -7.154 0.154) 7.326 16.512 ( 5.121 0.893 -1.971) 5.560 16.638 ( -2.385 -2.220 -10.146) 10.657 16.809 ( 3.286 -2.400 -7.570) 8.594 16.967 ( 9.480 -0.484 -2.338) 9.776 17.017 ( 9.123 -6.808 -2.499) 11.655 17.633 ( 4.079 -6.539 -1.122) 7.789 17.747 ( 5.841 0.121 3.137) 6.632 17.954 ( 3.222 -2.231 5.345) 6.627 18.082 ( -0.293 9.063 -1.430) 9.180 18.378 ( 3.389 0.909 5.136) 6.221 18.537 ( -1.191 6.681 5.564) 8.775 18.620 ( 2.392 1.653 0.431) 2.939 18.730 ( 9.024 -2.761 0.269) 9.441 19.171 ( 17.066 3.673 15.488) 23.337 19.510 ( -2.971 -0.656 -1.724) 3.497 19.646 ( 1.195 -0.971 -1.173) 1.936 20.133 ( -29.250 -11.138 -26.444) 40.974 20.471 ( -2.946 -0.056 -3.413) 4.509 20.638 ( -5.954 2.920 -0.146) 6.633 20.741 ( -2.213 -12.705 -0.458) 12.904 21.138 ( 2.721 6.974 3.856) 8.421 21.945 ( -4.265 -6.077 7.776) 10.751 23.713 ( 2.084 3.479 -2.171) 4.600 23.830 ( -1.444 5.453 8.665) 10.339 24.031 ( -7.956 0.463 -0.697) 8.000 24.549 ( 1.142 -14.061 -1.196) 14.158 24.785 ( -10.757 0.693 4.274) 11.595 24.997 ( -6.238 -3.446 -2.507) 7.555 25.144 ( 2.865 4.788 -9.215) 10.773 25.325 ( 0.413 5.886 -0.536) 5.925 25.451 ( 1.256 4.538 -1.534) 4.952 26.148 ( 8.531 -0.243 -2.071) 8.782 26.291 ( 0.169 1.941 5.662) 5.988 26.740 ( -4.219 1.982 -30.712) 31.064 27.184 ( -10.254 -1.645 2.388) 10.656 27.355 ( -5.690 7.845 3.432) 10.281 27.698 ( -5.156 -2.228 -0.594) 5.648 27.955 ( -0.844 6.077 11.607) 13.129 28.972 ( 0.390 0.422 -6.472) 6.497 29.070 ( 6.308 4.510 1.909) 7.986 29.344 ( -1.491 1.095 2.452) 3.071 29.682 ( 2.522 1.232 3.644) 4.599 29.771 ( 1.936 -3.066 -0.982) 3.757 29.823 ( -2.545 2.035 -3.825) 5.025 30.419 ( 17.019 0.355 4.830) 17.695 30.473 ( 9.220 -2.857 1.848) 9.828 31.464 ( -0.199 0.302 4.470) 4.484 31.557 ( -8.729 2.529 -6.381) 11.105 31.812 ( 9.961 -2.083 0.991) 10.224 32.072 ( -1.366 -4.509 0.139) 4.713 32.207 ( -5.012 0.031 0.373) 5.026 32.285 ( 3.692 1.560 -0.569) 4.048 32.690 ( -7.408 0.109 -3.806) 8.329 32.867 ( -6.330 0.139 4.877) 7.992 33.285 ( 4.279 -5.226 -1.079) 6.840 33.462 ( 10.510 -4.414 6.631) 13.188 33.574 ( -10.042 4.684 -1.742) 11.217 33.844 ( -2.214 2.046 0.685) 3.092 33.949 ( 2.940 1.308 1.318) 3.477 34.018 ( 3.392 7.219 -1.878) 8.194 34.548 ( -1.558 4.572 5.061) 6.996 34.639 ( 2.910 4.168 -1.248) 5.234 34.886 ( 6.895 4.510 2.214) 8.531 35.005 ( 8.404 4.435 -1.369) 9.600 36.060 ( 1.867 -0.461 -6.153) 6.447 36.167 ( -5.883 -0.237 7.310) 9.386 90.912 ( -0.857 1.101 0.410) 1.454 91.012 ( 0.079 0.570 0.451) 0.731 91.789 ( -1.245 -2.736 -7.773) 8.334 92.008 ( -2.351 -5.704 -0.773) 6.217 93.570 ( -0.076 1.641 0.673) 1.775 93.611 ( 0.991 2.345 -0.304) 2.564 94.411 ( -1.476 -0.042 -4.460) 4.698 94.455 ( -9.618 -1.590 3.911) 10.503 95.278 ( 16.261 -6.443 -19.798) 26.417 95.666 ( 22.529 -8.449 13.237) 27.462 96.664 ( -38.228 -25.799 -40.368) 61.291 97.761 ( -8.739 -13.115 0.838) 15.782 97.912 ( -0.435 -2.680 -1.317) 3.017 98.200 ( -3.439 -16.833 5.579) 18.063 98.508 ( -19.919 11.870 -3.252) 23.414 99.133 ( -22.719 6.785 0.824) 23.725 102.389 ( 0.019 0.571 -0.049) 0.573 102.425 ( 0.196 0.798 -0.058) 0.824 102.649 ( 3.667 1.723 0.265) 4.060 102.817 ( 0.929 5.790 0.858) 5.926 107.564 ( -0.103 0.111 0.283) 0.321 107.606 ( 0.420 -0.050 -0.263) 0.498 107.842 ( 1.838 -1.364 1.016) 2.504 107.889 ( 3.915 -2.492 1.212) 4.796 ======================= Grid point 198 (90/126) ======================= q-point: ( 0.38 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 16.297 14.195 -53.376) 57.586 2.190 ( 40.665 12.671 -3.419) 42.730 2.526 ( 0.786 18.949 -1.536) 19.027 2.814 ( -10.435 14.884 -19.784) 26.867 3.254 ( 4.671 9.925 -0.939) 11.010 3.682 ( -23.414 23.816 2.796) 33.515 3.765 ( 43.244 24.821 -2.333) 49.915 4.014 ( 43.395 28.244 1.882) 51.811 5.145 ( -35.717 -8.332 5.072) 37.025 5.302 ( -32.417 2.662 8.803) 33.696 5.540 ( 0.284 1.360 21.653) 21.697 5.725 ( -37.575 5.804 10.757) 39.513 6.545 ( 21.201 -7.633 -3.172) 22.756 6.843 ( 12.456 -0.331 6.607) 14.104 6.967 ( -2.119 -5.567 -0.733) 6.001 7.103 ( -8.488 -0.522 -2.254) 8.798 7.179 ( -7.731 -5.195 -1.874) 9.501 7.329 ( -6.274 -4.232 2.094) 7.852 7.430 ( -2.984 -9.272 2.683) 10.103 7.565 ( -1.005 1.511 4.874) 5.201 7.638 ( -2.766 2.665 -2.307) 4.481 7.894 ( -6.654 4.740 -1.097) 8.242 8.083 ( -6.198 4.869 -0.339) 7.889 8.171 ( -4.648 -4.004 -5.678) 8.359 8.427 ( 6.800 -4.709 -2.868) 8.755 8.605 ( 6.750 -5.097 4.180) 9.435 8.669 ( -1.451 -2.851 -2.743) 4.214 8.746 ( -3.163 -4.015 2.492) 5.686 9.076 ( 4.752 -5.753 5.155) 9.069 9.461 ( 9.389 -8.723 -3.712) 13.343 9.486 ( 9.771 -5.483 3.201) 11.653 9.531 ( 14.511 -7.065 -0.716) 16.156 9.740 ( 23.855 -19.945 -1.775) 31.145 9.921 ( 2.565 -7.115 -4.967) 9.048 10.169 ( -2.080 1.004 -0.419) 2.347 10.370 ( 1.177 -0.729 -1.309) 1.905 10.579 ( -3.517 -5.833 -1.289) 6.933 10.617 ( -12.949 -3.846 1.318) 13.572 10.744 ( -7.208 -1.051 -2.142) 7.592 10.798 ( -0.181 3.226 0.456) 3.263 10.971 ( 7.639 9.352 5.452) 13.250 11.103 ( 1.159 10.040 -2.633) 10.444 11.234 ( 3.298 11.828 -0.186) 12.281 11.293 ( 9.729 12.722 -2.773) 16.254 11.406 ( 2.225 2.697 3.151) 4.707 11.571 ( 3.521 9.423 0.518) 10.072 11.802 ( -4.854 12.616 -5.010) 14.417 11.818 ( -4.744 3.922 -6.557) 8.994 11.981 ( 0.981 -4.725 -0.703) 4.876 12.031 ( 0.295 -2.666 0.002) 2.682 12.066 ( 1.325 -1.967 -1.445) 2.777 12.189 ( -4.097 -11.575 -0.893) 12.311 12.383 ( -0.285 2.732 -5.387) 6.047 12.443 ( -13.163 0.617 -0.326) 13.182 12.592 ( -3.597 -18.908 3.182) 19.509 12.797 ( -7.080 -1.797 2.659) 7.773 12.870 ( -1.513 -2.083 1.418) 2.939 12.919 ( -0.662 -6.606 1.415) 6.788 13.064 ( 1.122 -0.850 7.681) 7.809 13.379 ( 6.394 -3.258 -5.206) 8.866 13.659 ( 6.743 5.200 3.297) 9.131 13.737 ( -1.166 8.448 0.930) 8.578 13.955 ( 4.047 6.304 0.677) 7.521 14.138 ( -10.607 -0.770 0.701) 10.658 14.353 ( 1.166 12.607 0.576) 12.674 14.535 ( -2.752 7.587 -0.190) 8.073 14.753 ( -3.301 0.058 5.322) 6.263 14.840 ( -0.964 -0.849 -1.468) 1.951 15.041 ( -3.253 -2.124 3.831) 5.456 15.219 ( -3.824 -3.796 6.112) 8.148 15.358 ( -3.211 1.080 3.069) 4.572 15.525 ( 1.984 2.711 -1.196) 3.566 15.577 ( 2.153 -3.677 -0.559) 4.297 15.768 ( -0.794 0.142 2.165) 2.311 15.874 ( 2.005 -0.557 9.073) 9.308 15.997 ( -3.788 -1.805 -0.541) 4.231 16.205 ( 0.794 -2.373 1.810) 3.088 16.324 ( -0.689 -2.829 -5.018) 5.801 16.477 ( -3.259 3.142 -6.611) 8.013 16.542 ( 4.586 0.096 -6.263) 7.763 16.736 ( 2.628 -2.653 -10.451) 11.098 16.998 ( 4.968 -2.956 -9.209) 10.873 17.212 ( 10.337 -9.211 5.923) 15.060 17.636 ( -1.531 -3.963 -0.053) 4.249 17.795 ( 1.680 0.554 -3.570) 3.984 18.019 ( 0.786 3.941 -3.638) 5.421 18.083 ( -1.112 2.813 5.233) 6.045 18.400 ( -4.573 -2.205 -4.925) 7.073 18.563 ( -3.047 6.627 5.021) 8.855 18.674 ( 3.269 -0.074 -0.922) 3.397 18.840 ( 6.406 0.000 -1.631) 6.610 19.082 ( -18.216 -3.868 -17.721) 25.707 19.488 ( -1.842 0.547 -1.063) 2.196 19.584 ( -1.034 -2.415 -3.609) 4.464 19.999 ( 21.427 -1.399 17.442) 27.664 20.475 ( 2.720 0.524 2.331) 3.620 20.662 ( -0.152 -3.310 5.135) 6.111 20.827 ( 8.147 -6.300 10.928) 15.016 21.174 ( -1.669 5.657 -0.864) 5.961 21.878 ( -12.808 -3.848 0.437) 13.381 23.743 ( 4.428 1.373 -0.452) 4.658 23.861 ( -6.312 2.848 5.114) 8.608 24.090 ( 1.692 6.137 15.536) 16.790 24.565 ( 3.612 -9.716 -0.706) 10.389 24.749 ( -5.006 1.942 8.575) 10.118 24.889 ( -5.826 -7.487 -0.833) 9.523 25.097 ( 6.489 7.203 -8.603) 12.962 25.322 ( 0.554 8.818 -0.433) 8.846 25.444 ( 1.553 3.856 -4.365) 6.027 26.057 ( -3.625 -5.214 -20.314) 21.284 26.335 ( -3.730 1.676 -4.865) 6.355 26.511 ( 12.320 3.487 -4.211) 13.478 26.997 ( -13.029 9.350 0.199) 16.038 27.223 ( -5.391 7.591 -8.688) 12.735 27.692 ( -1.011 -3.525 6.481) 7.447 28.161 ( 1.490 2.062 15.247) 15.458 28.848 ( -0.335 -0.076 -9.783) 9.789 29.219 ( 5.229 1.181 6.562) 8.473 29.362 ( -0.055 -1.528 -0.307) 1.559 29.638 ( -3.766 1.583 -7.983) 8.968 29.750 ( -1.295 0.145 -0.644) 1.454 29.810 ( 1.627 1.285 0.123) 2.077 30.547 ( 2.782 -3.785 -0.177) 4.700 30.643 ( 5.145 -2.523 0.524) 5.754 31.440 ( 2.938 4.187 -1.546) 5.343 31.531 ( -0.047 -0.079 4.183) 4.184 31.953 ( 3.681 -3.611 2.636) 5.791 32.043 ( 0.023 -3.850 -1.905) 4.295 32.146 ( -3.705 -0.674 1.918) 4.226 32.311 ( 2.845 -0.998 -3.535) 4.646 32.578 ( -3.186 2.224 -0.725) 3.953 32.791 ( -8.819 -0.225 0.358) 8.829 33.310 ( 1.759 -2.137 -1.286) 3.052 33.414 ( -7.636 4.024 -1.886) 8.835 33.702 ( 4.388 -3.577 9.893) 11.398 33.838 ( 0.291 0.423 0.473) 0.698 34.011 ( 0.994 0.722 3.448) 3.660 34.056 ( 4.345 3.686 -0.817) 5.756 34.611 ( 0.194 2.496 6.226) 6.711 34.688 ( 3.322 1.358 1.114) 3.758 34.999 ( 4.105 6.449 2.555) 8.060 35.086 ( 5.292 4.983 -1.756) 7.478 36.056 ( 5.574 -0.178 -2.889) 6.280 36.146 ( -7.955 0.131 5.325) 9.574 90.921 ( 0.241 1.092 1.587) 1.941 90.999 ( -1.136 0.658 -0.946) 1.617 91.678 ( -0.410 -2.045 -7.556) 7.839 91.881 ( -4.108 -5.116 -10.749) 12.593 93.579 ( 0.032 1.552 0.702) 1.704 93.610 ( 0.080 2.560 -0.869) 2.704 94.339 ( -6.789 -1.249 -0.017) 6.903 94.373 ( 0.325 0.611 -2.638) 2.728 95.204 ( 10.817 -8.305 -23.999) 27.603 95.546 ( -17.318 -7.746 -36.196) 40.866 96.347 ( 30.678 -9.010 10.957) 33.799 97.521 ( -25.502 -15.155 0.783) 29.676 97.916 ( 0.439 -4.816 1.181) 4.978 98.095 ( -7.437 -9.718 -1.269) 12.303 98.470 ( 5.233 15.120 3.281) 16.333 98.851 ( -16.835 13.058 0.726) 21.318 102.393 ( 0.258 0.541 0.259) 0.653 102.422 ( -0.083 0.646 -0.408) 0.769 102.715 ( 3.977 1.080 0.751) 4.189 102.817 ( -1.773 4.075 0.434) 4.465 107.570 ( 0.157 0.081 0.596) 0.622 107.605 ( 0.138 0.030 -0.544) 0.562 107.881 ( 1.589 -1.839 1.293) 2.753 107.942 ( 0.919 -3.445 0.999) 3.702 ======================= Grid point 199 (91/126) ======================= q-point: (-0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 31.399 15.882 -22.339) 41.679 1.829 ( -28.523 13.872 -26.442) 41.294 2.638 ( -13.894 24.325 5.235) 28.499 2.768 ( 21.322 19.682 -6.888) 29.824 3.294 ( -21.542 15.587 6.138) 27.289 3.398 ( 14.462 10.469 -3.352) 18.165 4.401 ( -2.226 7.742 4.369) 9.164 4.489 ( -3.399 5.642 -4.085) 7.751 4.751 ( 33.138 15.801 4.426) 36.979 4.842 ( -27.912 15.050 -3.754) 31.932 5.598 ( -11.228 5.056 20.210) 23.666 5.787 ( 10.135 3.748 3.652) 11.407 6.757 ( -11.171 -6.885 4.453) 13.857 6.836 ( 9.943 -3.178 -3.853) 11.127 6.975 ( -2.055 -3.315 0.965) 4.018 7.043 ( -0.717 -4.847 -4.903) 6.932 7.187 ( 9.088 -3.617 6.519) 11.755 7.293 ( -2.748 -12.738 -1.483) 13.115 7.471 ( 4.392 -5.672 3.881) 8.157 7.544 ( -4.131 -3.047 -2.892) 5.892 7.629 ( -0.119 6.449 6.041) 8.837 7.790 ( 0.828 9.250 -7.156) 11.725 8.016 ( -3.614 -0.642 0.701) 3.737 8.068 ( 0.881 -0.084 -3.663) 3.769 8.511 ( 4.576 -3.440 1.004) 5.812 8.573 ( -3.895 -4.407 -4.328) 7.302 8.727 ( -0.942 -4.194 3.315) 5.428 8.753 ( 2.362 -4.280 1.662) 5.164 9.209 ( 1.172 -4.993 9.114) 10.458 9.416 ( -0.608 -5.851 -9.026) 10.774 9.547 ( -2.008 -0.405 5.254) 5.639 9.681 ( 3.641 -0.396 -6.294) 7.282 9.901 ( -9.857 -11.948 3.403) 15.859 10.006 ( 5.219 -14.407 -6.289) 16.563 10.184 ( 7.879 -15.817 2.282) 17.818 10.227 ( -6.039 -14.196 -1.542) 15.504 10.502 ( -7.063 -5.035 2.376) 8.994 10.548 ( 5.832 -6.772 -1.158) 9.012 10.678 ( -1.790 2.480 2.272) 3.809 10.767 ( 1.174 3.677 -4.589) 5.996 11.087 ( -4.403 4.703 4.310) 7.751 11.126 ( 3.261 3.280 0.053) 4.626 11.305 ( 4.665 17.017 3.501) 17.988 11.398 ( -0.495 19.671 -3.373) 19.964 11.507 ( 0.386 9.852 2.166) 10.095 11.576 ( -4.134 17.947 -4.915) 19.061 11.616 ( 6.680 9.526 -0.563) 11.649 11.670 ( -4.784 7.781 -4.105) 10.014 11.977 ( -2.791 -3.892 4.767) 6.758 12.069 ( 0.886 -13.457 -1.072) 13.529 12.103 ( -0.596 -4.844 0.087) 4.882 12.174 ( 9.645 -2.848 -3.841) 10.765 12.268 ( -9.738 0.310 1.308) 9.830 12.366 ( 9.542 5.271 -8.176) 13.627 12.605 ( 0.521 -16.034 3.637) 16.450 12.700 ( -2.842 -9.419 -4.611) 10.866 12.881 ( -4.169 -4.610 4.731) 7.811 12.937 ( 3.513 -6.215 -1.197) 7.239 13.178 ( -1.396 -0.578 8.836) 8.964 13.362 ( 3.098 -0.952 -8.007) 8.638 13.745 ( -3.119 3.553 4.827) 6.756 13.784 ( 1.003 9.608 1.495) 9.775 13.956 ( -3.459 3.002 4.134) 6.169 14.075 ( 5.780 7.419 -4.829) 10.572 14.377 ( -2.492 11.388 3.906) 12.295 14.478 ( 1.137 8.316 -4.777) 9.657 14.777 ( -1.316 0.413 3.343) 3.616 14.821 ( 0.649 -0.911 -0.957) 1.472 15.090 ( -1.373 -6.105 7.723) 9.940 15.218 ( -0.023 -4.876 -1.320) 5.052 15.384 ( -2.149 -1.669 6.653) 7.188 15.564 ( 2.040 -1.826 -6.664) 7.205 15.588 ( 3.391 3.079 5.082) 6.842 15.740 ( -2.456 1.977 -5.247) 6.121 15.923 ( -3.666 -5.292 9.275) 11.290 16.055 ( 1.890 -1.315 2.629) 3.495 16.206 ( 1.735 -3.260 0.536) 3.732 16.268 ( -1.621 -1.936 -3.965) 4.701 16.403 ( -2.979 2.178 2.624) 4.528 16.517 ( 3.618 1.567 -7.349) 8.340 16.668 ( 2.312 -0.015 -2.534) 3.431 16.834 ( -6.182 0.411 -13.010) 14.410 17.408 ( 4.821 -7.025 7.224) 11.171 17.542 ( -7.239 -2.824 -4.644) 9.052 17.795 ( 3.289 3.909 -0.784) 5.168 17.909 ( -2.906 3.385 -9.744) 10.717 18.144 ( -1.342 -1.546 4.500) 4.944 18.216 ( -2.595 -0.421 -3.376) 4.279 18.595 ( -2.170 3.442 5.131) 6.548 18.686 ( 2.183 2.768 -2.870) 4.546 18.856 ( -3.758 0.464 -0.814) 3.873 18.870 ( 1.616 0.911 -1.929) 2.676 19.479 ( 0.710 -0.755 0.730) 1.267 19.524 ( -0.964 -1.821 -3.287) 3.879 20.391 ( 7.871 -9.288 7.769) 14.442 20.510 ( -0.967 -7.775 -3.474) 8.570 20.811 ( 7.151 1.795 13.342) 15.243 21.058 ( -5.977 3.261 -8.088) 10.572 21.269 ( 21.509 -3.503 18.674) 28.699 21.583 ( -18.290 -4.846 -10.398) 21.590 23.802 ( -6.045 2.618 2.251) 6.962 23.833 ( 7.057 0.533 -0.431) 7.091 24.358 ( -1.168 6.459 20.829) 21.839 24.616 ( 3.269 -3.505 -1.275) 4.960 24.801 ( -4.265 -6.110 4.791) 8.859 24.868 ( 2.152 -1.995 6.827) 7.431 25.100 ( 8.308 4.563 -8.070) 12.449 25.267 ( -0.766 6.206 -12.909) 14.344 25.451 ( 6.519 6.149 1.912) 9.163 25.646 ( -9.309 2.456 -20.310) 22.476 26.346 ( -1.760 -0.095 5.939) 6.196 26.499 ( -2.584 -0.469 -8.670) 9.059 26.952 ( 3.951 8.415 3.558) 9.954 27.068 ( -0.100 7.334 -8.126) 10.947 27.845 ( 2.287 0.487 16.350) 16.517 28.187 ( -5.026 0.473 -9.621) 10.866 28.879 ( 4.618 -1.473 12.378) 13.294 29.226 ( -5.600 -4.951 -14.392) 16.217 29.371 ( 3.133 1.201 6.301) 7.138 29.503 ( -2.152 1.426 -5.819) 6.366 29.742 ( -1.051 2.578 3.101) 4.168 29.813 ( 1.021 3.639 -2.641) 4.611 30.586 ( 0.725 -3.148 1.133) 3.423 30.616 ( -2.627 -2.838 -1.804) 4.267 31.525 ( -4.706 0.496 2.810) 5.504 31.563 ( 7.389 2.043 -0.562) 7.687 31.973 ( -1.752 -3.553 2.092) 4.480 32.016 ( 0.792 -2.136 -1.941) 2.992 32.180 ( 0.214 -3.082 3.898) 4.974 32.274 ( -0.853 -1.957 -4.592) 5.064 32.604 ( 5.197 2.527 2.162) 6.170 32.654 ( -6.065 2.309 -2.347) 6.901 33.314 ( -2.010 0.910 -0.036) 2.206 33.338 ( 3.539 1.437 -2.386) 4.504 33.790 ( -4.398 -0.713 5.380) 6.986 33.863 ( 2.457 -2.507 -0.253) 3.519 34.048 ( -1.885 2.435 2.723) 4.111 34.110 ( 4.876 -1.247 -1.522) 5.258 34.686 ( -1.243 1.031 5.457) 5.691 34.738 ( 1.475 -1.427 0.523) 2.118 35.055 ( -1.660 8.115 2.834) 8.755 35.117 ( 3.434 4.506 -2.850) 6.342 36.075 ( -9.005 0.128 3.822) 9.783 36.137 ( 8.362 0.241 -1.788) 8.555 90.952 ( 0.860 0.907 1.425) 1.896 90.969 ( -0.928 0.984 -0.837) 1.591 91.595 ( -0.758 -1.567 -3.587) 3.987 91.690 ( -0.927 -2.580 -10.802) 11.145 93.589 ( 0.176 1.893 0.723) 2.034 93.600 ( -0.105 2.350 -0.406) 2.387 94.267 ( -4.544 -0.455 2.680) 5.295 94.371 ( 4.943 -0.055 -4.679) 6.807 95.000 ( -3.143 -3.886 -9.338) 10.592 95.140 ( 5.076 -0.954 -22.522) 23.107 96.959 ( 29.026 -13.687 9.705) 33.526 97.083 ( -30.310 -13.787 -1.826) 33.349 97.949 ( 0.850 -5.354 2.663) 6.040 98.010 ( -1.906 -5.333 -2.515) 6.196 98.585 ( -4.669 14.751 6.371) 16.732 98.703 ( 5.667 12.613 -4.373) 14.503 102.402 ( 0.309 0.530 0.469) 0.772 102.413 ( -0.294 0.565 -0.553) 0.843 102.766 ( -1.105 2.404 1.475) 3.029 102.793 ( 1.444 2.048 -1.020) 2.705 107.582 ( 0.186 0.050 0.718) 0.743 107.597 ( -0.068 0.068 -0.719) 0.726 107.920 ( 1.177 -2.813 1.550) 3.420 107.941 ( -1.355 -2.929 -0.288) 3.240 ======================= Grid point 200 (92/126) ======================= q-point: (-0.38 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -33.117 21.018 3.628) 39.391 2.142 ( -39.739 14.310 1.903) 42.280 2.296 ( 41.673 14.460 2.043) 44.158 2.801 ( -24.854 19.592 -3.859) 31.882 3.197 ( 6.984 15.467 2.966) 17.228 3.622 ( -19.806 23.173 5.195) 30.923 3.829 ( -2.841 25.192 -5.211) 25.882 4.053 ( -48.828 24.954 -1.009) 54.844 5.161 ( 44.448 -9.078 -0.140) 45.366 5.386 ( 33.586 4.439 0.626) 33.884 5.705 ( -1.359 1.727 7.739) 8.045 5.993 ( 26.333 3.814 -9.431) 28.229 6.446 ( -28.568 -1.704 2.513) 28.729 6.952 ( 4.339 -4.835 -1.263) 6.618 7.011 ( 2.966 -9.386 -0.273) 9.848 7.116 ( 1.746 -3.444 -0.674) 3.919 7.137 ( 3.344 -1.845 -4.722) 6.073 7.339 ( 4.883 -9.395 1.487) 10.692 7.491 ( 1.399 -2.596 -2.642) 3.959 7.589 ( 4.500 -1.060 0.921) 4.714 7.740 ( 9.209 0.882 -5.344) 10.684 7.797 ( 7.453 5.842 3.473) 10.086 8.005 ( 0.177 0.973 6.023) 6.104 8.108 ( 5.871 0.161 -0.585) 5.902 8.439 ( -6.320 -6.479 -3.229) 9.609 8.587 ( 0.629 -1.786 2.629) 3.239 8.688 ( -4.542 -1.641 -0.852) 4.904 8.798 ( 2.398 -5.140 -1.906) 5.984 9.219 ( -9.255 -8.780 -5.432) 13.866 9.348 ( -1.258 -5.416 5.078) 7.530 9.497 ( -16.682 -6.149 0.955) 17.805 9.590 ( -3.330 -2.927 -3.332) 5.546 9.674 ( -24.283 -18.273 3.416) 30.582 9.816 ( -8.945 -12.333 2.059) 15.374 10.202 ( 4.067 0.354 -2.990) 5.060 10.324 ( -4.349 1.628 2.626) 5.335 10.534 ( 1.745 -2.993 2.484) 4.263 10.653 ( 9.564 -7.596 -1.468) 12.301 10.722 ( 6.728 -3.560 0.607) 7.636 10.791 ( 4.961 4.547 -0.166) 6.731 11.013 ( -9.043 5.772 2.733) 11.071 11.121 ( -6.003 10.250 -2.471) 12.133 11.204 ( -8.091 13.642 -0.191) 15.862 11.285 ( -4.255 3.376 -2.715) 6.073 11.448 ( -5.079 10.531 -0.578) 11.707 11.636 ( 6.962 6.301 -0.333) 9.396 11.689 ( 3.139 8.051 3.612) 9.366 11.776 ( 9.889 13.116 -1.334) 16.480 11.989 ( -3.885 -7.544 4.149) 9.446 12.006 ( -0.522 2.099 -0.014) 2.163 12.072 ( 0.890 -6.244 -7.977) 10.170 12.213 ( -0.348 -2.503 0.148) 2.531 12.272 ( 7.755 -3.429 -0.927) 8.530 12.472 ( 14.706 5.344 -3.761) 16.093 12.646 ( 2.245 -18.690 -2.331) 18.968 12.711 ( 5.307 -6.891 6.044) 10.591 12.867 ( -3.105 -1.395 2.312) 4.115 12.980 ( 4.603 -7.701 -1.910) 9.173 13.217 ( -4.162 -2.654 1.520) 5.166 13.292 ( -0.155 0.324 -4.079) 4.095 13.701 ( -9.128 -0.263 2.860) 9.569 13.745 ( -4.059 9.009 -0.748) 9.909 13.967 ( -1.179 14.744 -0.160) 14.792 14.186 ( 14.425 0.672 -3.989) 14.982 14.334 ( -5.300 11.316 2.812) 12.808 14.520 ( 6.402 8.177 -0.474) 10.396 14.803 ( 0.119 -1.007 2.358) 2.567 14.830 ( 2.958 0.399 -1.819) 3.495 15.128 ( -1.946 -6.681 0.880) 7.014 15.237 ( 4.754 -5.150 0.137) 7.010 15.423 ( -3.472 -1.566 3.178) 4.961 15.525 ( 3.861 -1.931 -4.045) 5.916 15.607 ( -1.179 3.644 -4.668) 6.039 15.750 ( 5.139 2.026 4.934) 7.406 15.975 ( -4.523 -6.655 2.859) 8.539 16.072 ( 3.909 -3.276 -2.482) 5.672 16.162 ( -5.230 -2.796 -2.291) 6.358 16.263 ( 1.091 -2.780 2.520) 3.907 16.392 ( -4.861 -3.027 4.265) 7.140 16.478 ( 2.231 4.955 -4.812) 7.258 16.622 ( -4.115 4.205 -2.222) 6.289 16.796 ( 2.246 0.689 9.601) 9.884 17.336 ( -11.727 -3.884 -5.633) 13.577 17.557 ( 1.501 -4.259 10.657) 11.575 17.743 ( -3.317 1.548 -2.187) 4.264 17.875 ( 1.118 2.402 4.123) 4.901 18.127 ( -3.112 0.431 2.614) 4.087 18.276 ( 6.217 -1.754 1.654) 6.668 18.618 ( -2.746 1.183 4.051) 5.035 18.672 ( 2.732 5.622 -4.376) 7.630 18.806 ( -4.963 -0.716 1.053) 5.124 18.883 ( 2.063 3.648 2.677) 4.973 19.485 ( 0.328 -1.153 -1.266) 1.744 19.521 ( 1.801 -0.851 2.180) 2.953 20.360 ( -7.459 -11.704 -11.871) 18.263 20.515 ( 1.623 -6.426 -0.058) 6.628 20.821 ( -6.273 0.202 -11.573) 13.165 21.054 ( 0.282 3.109 5.737) 6.531 21.146 ( -11.475 -2.934 -11.824) 16.736 21.789 ( 20.803 -2.481 9.735) 23.102 23.731 ( -5.115 2.070 0.792) 5.574 23.952 ( 10.283 0.032 -2.782) 10.653 24.473 ( -6.911 -1.912 6.195) 9.476 24.545 ( -1.161 5.535 -14.892) 15.929 24.860 ( 1.355 0.662 6.900) 7.063 24.929 ( 1.310 -5.179 -6.704) 8.572 25.034 ( 0.045 2.134 -11.568) 11.763 25.202 ( 4.464 1.257 7.615) 8.915 25.401 ( -2.705 8.068 -2.979) 9.016 25.665 ( 10.064 4.027 9.741) 14.573 26.286 ( -9.918 -0.887 2.073) 10.171 26.430 ( -4.491 3.398 3.876) 6.836 27.040 ( 9.162 10.731 -4.381) 14.775 27.103 ( 10.097 3.644 1.566) 10.848 27.924 ( -5.272 -0.466 -14.219) 15.173 28.125 ( 3.106 1.753 17.482) 17.842 28.914 ( -7.242 -1.404 -15.394) 17.070 29.163 ( 4.276 -4.469 16.750) 17.855 29.379 ( -3.739 -0.342 -7.615) 8.490 29.488 ( 2.686 1.063 5.961) 6.624 29.780 ( -0.353 3.633 2.933) 4.683 29.788 ( 1.574 4.477 -3.477) 5.883 30.528 ( -5.070 -4.351 1.560) 6.861 30.639 ( -0.431 -2.154 0.730) 2.315 31.418 ( -8.282 2.455 0.881) 8.683 31.618 ( 2.457 0.882 -3.545) 4.402 32.000 ( -0.297 -5.697 1.558) 5.914 32.013 ( 0.543 -1.765 -2.242) 2.905 32.190 ( -1.647 -2.130 -1.089) 2.904 32.223 ( -0.876 0.547 3.196) 3.359 32.579 ( 0.165 2.795 -0.821) 2.917 32.771 ( 11.053 -0.607 1.967) 11.243 33.298 ( 0.419 -2.944 -0.219) 2.981 33.410 ( 8.857 4.435 -1.244) 9.983 33.760 ( -6.761 0.944 3.433) 7.641 33.879 ( 1.373 -2.066 -1.797) 3.063 34.020 ( -4.220 2.136 -0.069) 4.730 34.146 ( 4.629 -3.214 -4.892) 7.463 34.689 ( -3.184 2.353 0.735) 4.026 34.736 ( -0.882 -2.606 -2.310) 3.593 35.019 ( -5.782 7.068 0.333) 9.138 35.110 ( 0.189 5.526 -3.232) 6.405 35.990 ( -8.139 0.100 3.140) 8.724 36.236 ( 8.473 0.180 -2.701) 8.895 90.945 ( -0.825 0.967 -0.494) 1.364 90.984 ( 1.551 0.957 0.348) 1.855 91.603 ( -0.470 -2.026 7.219) 7.513 91.609 ( 0.819 -1.579 -0.696) 1.911 93.589 ( -0.407 2.080 -0.375) 2.152 93.604 ( 0.537 2.171 0.092) 2.239 94.267 ( -2.911 -0.279 5.198) 5.964 94.390 ( 7.579 -0.789 -5.587) 9.449 94.933 ( -3.877 -0.255 2.470) 4.604 95.038 ( 3.598 -1.357 2.956) 4.850 96.528 ( -35.162 -11.005 -4.865) 37.163 97.473 ( 23.733 -11.873 4.733) 26.956 97.960 ( -0.610 -5.156 -2.655) 5.831 98.019 ( 3.461 -7.546 4.540) 9.462 98.500 ( -7.367 15.295 0.877) 16.999 98.892 ( 20.390 10.080 -2.545) 22.888 102.401 ( -0.381 0.574 -0.496) 0.849 102.412 ( 0.198 0.580 0.499) 0.790 102.722 ( -4.283 1.131 0.127) 4.432 102.832 ( 3.392 3.629 -0.810) 5.033 107.586 ( -0.166 0.099 -0.790) 0.813 107.592 ( 0.029 0.040 0.631) 0.633 107.905 ( -2.093 -2.174 -0.812) 3.125 107.948 ( 0.086 -4.317 0.727) 4.378 ======================= Grid point 201 (93/126) ======================= q-point: (-0.25 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -7.100 16.487 55.932) 58.742 1.545 ( -42.446 14.605 2.629) 44.965 2.314 ( -24.685 16.300 -6.350) 30.255 2.785 ( -43.316 40.135 4.253) 59.205 3.057 ( -21.277 27.076 -2.598) 34.534 3.112 ( 4.522 18.677 10.183) 21.748 3.781 ( 8.801 29.996 5.441) 31.731 4.035 ( 17.216 23.700 -4.510) 29.638 5.592 ( 19.085 -4.412 -7.310) 20.908 5.700 ( 1.601 -0.684 -9.673) 9.829 5.887 ( 38.372 -11.623 -1.637) 40.128 6.059 ( -26.913 0.780 6.908) 27.797 6.319 ( 25.610 -2.115 -8.178) 26.967 6.791 ( -4.620 -7.273 -12.437) 15.130 7.050 ( 8.937 -7.818 1.584) 11.980 7.162 ( 3.234 -6.950 3.357) 8.369 7.305 ( 6.807 -4.809 -0.598) 8.356 7.429 ( 6.043 -0.782 2.003) 6.414 7.465 ( 0.769 0.061 -3.560) 3.642 7.662 ( 5.021 -6.209 -6.318) 10.182 7.734 ( 9.088 9.648 -3.543) 13.720 7.999 ( 7.632 -1.751 2.267) 8.152 8.170 ( 5.445 -0.094 9.455) 10.911 8.192 ( 6.208 1.706 -0.290) 6.445 8.328 ( -3.297 -7.147 -0.872) 7.919 8.536 ( -7.620 -3.677 -2.235) 8.751 8.644 ( -1.855 1.592 1.563) 2.901 8.792 ( 0.411 -5.786 -1.375) 5.962 8.934 ( -22.008 -18.584 -1.702) 28.855 9.177 ( -25.020 -15.491 -2.126) 29.504 9.244 ( -11.508 -11.042 -2.787) 16.191 9.439 ( -9.402 -6.220 1.172) 11.334 9.562 ( 0.771 -3.661 1.022) 3.878 9.823 ( -4.035 -2.320 5.634) 7.308 10.179 ( -4.217 9.870 -1.158) 10.796 10.258 ( -6.527 10.714 3.177) 12.941 10.502 ( -6.553 0.202 3.031) 7.223 10.719 ( -6.771 5.646 1.808) 9.000 10.792 ( -0.706 3.373 0.381) 3.467 10.807 ( 3.145 1.346 -1.979) 3.952 11.003 ( 3.755 7.744 -5.176) 10.043 11.012 ( -1.874 8.940 5.699) 10.766 11.132 ( -5.873 12.123 3.240) 13.855 11.303 ( 5.743 -7.711 -3.038) 10.083 11.407 ( 2.580 3.294 -0.502) 4.214 11.622 ( 3.521 5.010 -9.193) 11.045 11.705 ( -5.455 0.320 4.179) 6.879 11.800 ( -4.658 2.872 2.622) 6.068 11.990 ( 1.523 1.746 -0.474) 2.365 12.046 ( 4.932 -8.353 -0.203) 9.703 12.154 ( 10.129 3.155 3.296) 11.109 12.227 ( 2.886 -10.349 0.800) 10.774 12.385 ( 4.281 0.019 3.925) 5.808 12.637 ( 11.255 1.172 -1.751) 11.451 12.677 ( 4.630 -17.074 -2.145) 17.820 12.821 ( -1.702 3.506 3.689) 5.366 12.932 ( 9.985 -1.476 0.948) 10.138 13.008 ( 3.896 -6.520 -4.323) 8.740 13.114 ( -0.375 0.157 -7.036) 7.047 13.259 ( -5.011 -4.790 2.863) 7.500 13.594 ( -5.448 2.113 -1.608) 6.061 13.694 ( -5.091 4.797 3.314) 7.741 13.874 ( -7.714 14.589 -2.887) 16.753 14.317 ( -3.363 19.966 1.752) 20.323 14.355 ( 15.005 -5.431 -3.460) 16.329 14.600 ( 5.806 1.393 -1.284) 6.108 14.840 ( 0.975 -0.259 1.477) 1.789 14.853 ( 4.618 0.824 -3.311) 5.742 15.131 ( 4.909 -2.170 -1.260) 5.513 15.309 ( 3.757 -6.187 -0.592) 7.262 15.399 ( -2.110 1.815 0.621) 2.852 15.487 ( 0.801 5.340 -2.711) 6.041 15.599 ( 1.435 -4.903 -4.963) 7.123 15.813 ( 3.193 -1.101 -2.293) 4.082 15.897 ( -4.108 -4.667 -3.822) 7.298 16.021 ( -1.242 -0.897 -1.503) 2.146 16.215 ( 0.067 -2.466 -0.716) 2.569 16.290 ( 2.410 -2.159 8.635) 9.222 16.402 ( -3.914 -5.261 6.582) 9.291 16.475 ( -0.197 3.911 0.627) 3.966 16.633 ( -1.078 0.952 7.356) 7.495 16.828 ( -8.369 -0.477 5.394) 9.968 17.071 ( -14.222 -3.284 -5.057) 15.447 17.632 ( -4.748 -6.062 0.380) 7.709 17.747 ( 0.612 -3.053 1.060) 3.289 17.965 ( -1.302 1.614 5.258) 5.653 18.135 ( 0.716 1.622 -0.260) 1.791 18.384 ( -0.496 -3.583 5.116) 6.266 18.616 ( -2.501 -1.091 1.584) 3.155 18.663 ( 3.470 7.719 -5.444) 10.063 18.728 ( -6.739 -2.737 0.027) 7.274 19.209 ( 24.530 0.411 25.357) 35.283 19.511 ( 3.683 0.672 3.240) 4.951 19.572 ( 0.604 -1.145 1.841) 2.250 19.844 ( -24.497 -1.288 -24.281) 34.516 20.461 ( -1.775 0.235 -1.949) 2.647 20.712 ( 1.084 -1.624 -3.981) 4.434 20.812 ( -4.755 -6.462 -6.979) 10.634 21.188 ( 1.036 5.760 0.338) 5.862 22.069 ( 11.376 -0.522 -2.680) 11.699 23.682 ( -3.128 3.119 0.918) 4.512 24.032 ( 9.806 1.715 -7.229) 12.303 24.203 ( -4.018 6.889 -20.595) 22.085 24.480 ( -2.813 -6.292 4.264) 8.104 24.833 ( -5.526 2.499 1.888) 6.352 24.955 ( 4.069 1.326 1.307) 4.475 25.025 ( 6.436 -4.789 -0.795) 8.062 25.311 ( 0.001 2.443 2.247) 3.319 25.436 ( 5.033 9.139 0.781) 10.463 25.927 ( 0.886 -5.256 16.190) 17.045 26.272 ( -3.015 5.024 10.240) 11.798 26.371 ( -4.149 1.902 1.006) 4.674 27.226 ( 17.511 13.150 -1.095) 21.926 27.282 ( 10.597 4.519 5.219) 12.647 27.742 ( -1.648 -3.603 -5.846) 7.062 28.211 ( -4.565 2.382 -6.603) 8.374 28.775 ( -0.363 0.639 6.263) 6.306 29.202 ( -6.015 0.311 -8.770) 10.639 29.344 ( 0.585 -4.177 5.705) 7.095 29.624 ( 3.905 1.417 7.627) 8.684 29.766 ( -0.457 4.645 -2.792) 5.439 29.794 ( 0.096 1.769 0.652) 1.887 30.465 ( -8.885 -3.991 -0.031) 9.740 30.552 ( -8.182 -1.939 -3.360) 9.055 31.418 ( 4.124 1.925 4.764) 6.589 31.582 ( 1.139 0.743 -4.717) 4.909 31.856 ( -10.854 -2.797 -2.887) 11.574 32.073 ( 3.986 -2.972 0.020) 4.972 32.197 ( 0.857 -1.048 1.582) 2.082 32.258 ( 0.808 1.409 1.450) 2.178 32.623 ( 4.449 0.863 2.148) 5.015 32.933 ( 9.632 -1.954 -0.864) 9.866 33.291 ( -1.459 -7.006 -1.259) 7.266 33.553 ( 9.418 5.972 0.168) 11.153 33.649 ( -9.054 -1.270 -5.805) 10.830 33.864 ( 2.213 3.258 -3.521) 5.283 33.931 ( -7.391 0.870 0.373) 7.451 34.091 ( -0.293 0.204 -7.703) 7.711 34.639 ( -3.744 5.071 -1.086) 6.396 34.663 ( 0.262 0.919 -4.993) 5.083 34.909 ( -8.433 4.493 -0.532) 9.570 35.031 ( -4.403 6.678 -3.789) 8.851 35.940 ( -5.295 -0.115 4.902) 7.217 36.299 ( 6.567 -0.056 -4.702) 8.077 90.929 ( -0.171 1.034 -0.857) 1.354 91.010 ( 1.166 0.660 0.437) 1.410 91.642 ( 1.371 -1.661 4.432) 4.928 91.831 ( 5.339 -7.944 17.718) 20.138 93.581 ( -0.171 1.643 -0.132) 1.657 93.608 ( 0.214 2.540 -0.353) 2.574 94.303 ( -1.640 -0.271 5.614) 5.855 94.500 ( 12.321 -1.762 -0.265) 12.450 94.939 ( -5.860 -2.506 9.722) 11.625 95.480 ( 19.554 -13.141 44.608) 50.447 95.993 ( -25.783 -6.317 -2.173) 26.635 97.746 ( 8.700 -6.211 1.854) 10.849 97.923 ( -0.446 -5.361 -2.053) 5.757 98.178 ( 5.582 -15.306 6.600) 17.578 98.459 ( 5.406 19.523 0.320) 20.260 99.179 ( 22.728 3.510 -2.647) 23.149 102.391 ( -0.208 0.620 -0.256) 0.702 102.420 ( 0.049 0.763 0.379) 0.853 102.657 ( -4.172 1.002 -0.386) 4.308 102.853 ( 1.706 5.714 -2.277) 6.383 107.575 ( 0.007 0.123 -0.665) 0.676 107.598 ( -0.186 0.023 0.473) 0.509 107.864 ( -1.999 -1.700 -0.932) 2.785 107.923 ( -3.463 -5.027 -1.479) 6.281 ======================= Grid point 202 (94/126) ======================= q-point: (-0.12 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -22.722 27.754 7.396) 36.624 1.928 ( -14.953 20.289 -4.316) 25.571 2.018 ( 0.402 13.187 50.999) 52.678 2.168 ( -45.460 56.459 9.039) 73.047 2.325 ( -28.914 43.115 -3.326) 52.020 3.756 ( 26.586 8.194 12.159) 30.361 3.977 ( 6.575 29.175 4.948) 30.313 4.167 ( 11.222 23.678 -8.237) 27.467 5.478 ( 3.186 -1.845 -24.287) 24.565 5.630 ( -18.323 -1.593 8.308) 20.181 5.829 ( 5.651 6.274 -8.010) 11.639 6.208 ( -10.956 0.195 -15.800) 19.228 6.489 ( 33.925 -16.374 4.218) 37.905 6.920 ( 29.630 -15.290 -6.447) 33.960 7.215 ( 8.655 -4.269 1.234) 9.729 7.239 ( -0.817 -11.302 5.025) 12.396 7.318 ( -1.428 -5.053 -0.699) 5.297 7.385 ( -5.174 -5.778 0.184) 7.758 7.488 ( 0.961 3.450 -6.782) 7.670 7.609 ( 1.973 -2.677 -5.640) 6.547 7.928 ( 10.702 9.446 2.097) 14.428 8.037 ( 3.820 -7.432 -1.626) 8.513 8.217 ( -1.966 -6.426 0.272) 6.725 8.317 ( -12.355 -8.443 0.329) 14.967 8.356 ( 3.937 1.104 6.336) 7.541 8.400 ( 0.599 -9.887 1.268) 9.986 8.644 ( -6.366 -6.192 3.022) 9.381 8.655 ( -6.635 -6.979 -0.307) 9.635 8.764 ( -8.402 -15.044 -1.470) 17.294 8.850 ( -6.164 -5.816 -1.748) 8.653 9.094 ( -4.194 -4.939 -2.764) 7.045 9.305 ( -9.784 0.625 -1.028) 9.858 9.595 ( 1.667 2.666 0.613) 3.203 9.757 ( -10.041 7.330 1.005) 12.472 10.107 ( -5.770 7.480 4.344) 10.398 10.245 ( 0.528 9.085 -0.340) 9.107 10.469 ( -3.956 1.863 5.236) 6.822 10.626 ( -8.399 9.355 3.436) 13.033 10.767 ( -0.826 2.679 1.832) 3.349 10.866 ( 5.003 2.011 -0.093) 5.393 10.962 ( -4.827 8.549 1.157) 9.886 11.060 ( -6.208 11.389 -0.117) 12.972 11.089 ( 5.766 9.648 -1.773) 11.378 11.254 ( -0.803 1.573 -6.576) 6.809 11.543 ( 6.896 -2.234 7.948) 10.757 11.690 ( -0.133 -4.182 4.375) 6.054 11.712 ( 10.272 -2.359 -0.312) 10.544 11.764 ( -5.183 -2.782 3.486) 6.837 12.005 ( 0.933 -0.087 -1.326) 1.624 12.114 ( 4.253 -10.399 0.696) 11.257 12.204 ( 1.908 -3.953 -3.899) 5.871 12.391 ( 9.184 -11.005 1.200) 14.384 12.459 ( -1.449 -0.064 4.661) 4.882 12.687 ( 0.801 -4.096 -3.507) 5.452 12.741 ( 5.398 -3.790 0.370) 6.606 12.864 ( 2.985 1.925 -0.504) 3.587 12.890 ( -0.749 -3.281 -5.652) 6.578 13.049 ( 5.246 3.637 -6.735) 9.279 13.095 ( 1.680 -1.322 -1.972) 2.909 13.275 ( 2.616 -6.183 3.688) 7.660 13.506 ( -6.990 2.243 -0.604) 7.366 13.655 ( -5.167 1.259 2.363) 5.820 13.770 ( -0.814 12.365 0.684) 12.411 14.216 ( -8.500 18.225 -3.864) 20.477 14.527 ( 12.549 -3.535 -2.530) 13.281 14.649 ( 3.750 -2.441 -2.365) 5.061 14.850 ( 2.022 -0.158 -1.960) 2.821 14.888 ( 3.355 1.368 -1.152) 3.802 15.241 ( 8.900 1.866 -0.046) 9.094 15.308 ( 3.489 -4.470 -4.643) 7.329 15.351 ( -6.934 -0.616 1.113) 7.050 15.493 ( -6.428 2.941 0.299) 7.075 15.549 ( 7.220 1.552 -2.241) 7.717 15.785 ( -1.949 -0.560 -2.545) 3.254 15.870 ( 8.020 -1.556 -4.614) 9.382 15.958 ( -7.504 1.235 -1.041) 7.676 16.152 ( 0.015 3.144 -3.778) 4.914 16.328 ( -11.432 -3.011 -5.001) 12.836 16.422 ( -0.631 -2.222 5.531) 5.994 16.539 ( -0.734 -7.297 12.422) 14.425 16.729 ( -0.120 -1.545 9.501) 9.626 16.861 ( -5.992 0.558 0.333) 6.027 16.875 ( 1.807 1.329 8.111) 8.415 17.429 ( -22.823 -1.882 -0.691) 22.911 17.749 ( 2.493 -2.864 -2.095) 4.336 17.933 ( -3.159 -1.110 -1.634) 3.725 18.112 ( 0.745 7.076 -3.089) 7.757 18.344 ( -6.124 -2.832 -2.348) 7.144 18.575 ( -1.393 -0.215 -4.047) 4.285 18.611 ( -7.370 -3.626 -0.792) 8.252 18.649 ( 3.523 7.967 -3.706) 9.467 19.032 ( -18.996 11.311 -14.974) 26.702 19.537 ( 2.664 -0.608 1.642) 3.188 19.615 ( -1.295 -0.420 1.865) 2.309 20.350 ( 24.518 -18.358 18.872) 35.977 20.499 ( 8.910 -2.947 8.154) 12.432 20.706 ( 1.931 -1.000 -1.941) 2.916 20.800 ( 11.476 -10.539 7.919) 17.478 21.137 ( -1.893 6.451 -3.802) 7.723 22.063 ( 0.853 -3.421 -11.352) 11.887 23.669 ( -1.394 4.702 2.137) 5.350 23.936 ( -0.323 6.055 -13.497) 14.797 24.172 ( 12.766 -2.236 1.071) 13.005 24.517 ( 0.072 -8.958 1.675) 9.114 24.874 ( 0.395 5.941 11.823) 13.238 25.028 ( 4.279 -4.942 0.487) 6.555 25.122 ( 4.931 -3.398 1.187) 6.105 25.306 ( -1.593 1.274 0.213) 2.051 25.492 ( 6.022 7.419 -2.827) 9.965 25.969 ( -11.095 6.838 0.649) 13.049 26.357 ( 5.791 -9.541 8.851) 14.245 26.564 ( 3.732 1.857 20.291) 20.715 27.347 ( 4.918 -7.365 -7.488) 11.598 27.502 ( 11.122 16.357 -4.697) 20.329 27.770 ( 8.057 -2.014 4.745) 9.565 28.003 ( -5.243 5.865 -7.070) 10.577 28.920 ( 2.715 1.661 8.457) 9.037 29.003 ( -7.395 3.003 -5.487) 9.686 29.389 ( 2.794 0.321 0.197) 2.819 29.687 ( -2.228 4.914 -4.982) 7.344 29.731 ( -0.906 -4.161 2.762) 5.076 29.822 ( 0.848 4.785 2.169) 5.322 30.243 ( -13.561 0.296 -7.126) 15.322 30.316 ( -15.232 1.520 -4.776) 16.035 31.527 ( 3.539 -1.136 -3.022) 4.790 31.633 ( 6.930 1.463 5.237) 8.808 31.673 ( -8.096 -0.600 -0.196) 8.121 32.082 ( -2.039 -5.113 -1.751) 5.776 32.237 ( 1.684 2.943 1.320) 3.638 32.280 ( 1.510 2.179 -0.933) 2.810 32.753 ( 6.514 -1.047 4.833) 8.178 33.010 ( 6.617 1.606 -5.884) 9.000 33.203 ( -7.689 -7.003 -0.751) 10.427 33.325 ( -12.711 -2.871 -4.164) 13.680 33.736 ( 11.375 5.229 -0.884) 12.550 33.852 ( -5.693 3.316 2.376) 7.004 33.880 ( 2.407 3.659 -0.416) 4.399 34.011 ( -1.449 5.102 -2.368) 5.809 34.579 ( -3.072 9.385 0.690) 9.900 34.646 ( 4.609 3.468 -4.767) 7.483 34.791 ( -6.487 0.231 0.180) 6.494 34.905 ( -6.030 6.202 -3.622) 9.378 35.967 ( -2.241 -0.558 7.730) 8.068 36.302 ( 3.936 -0.307 -6.863) 7.917 90.925 ( 0.655 0.986 -0.018) 1.184 91.014 ( -0.426 0.580 -0.901) 1.153 91.744 ( 1.794 -2.292 7.613) 8.151 92.030 ( 2.124 -9.416 2.679) 10.018 93.576 ( 0.015 1.549 -0.391) 1.597 93.599 ( -0.621 2.494 -0.601) 2.639 94.367 ( -0.594 -0.617 7.174) 7.224 94.650 ( 10.947 -2.676 -5.083) 12.362 94.984 ( -6.574 -2.913 11.213) 13.321 95.467 ( -16.584 -5.764 -8.515) 19.514 96.856 ( 39.557 -47.662 50.286) 79.782 97.814 ( 0.580 -7.614 -0.742) 7.672 97.907 ( 0.168 -2.786 0.851) 2.918 98.195 ( -4.789 -6.770 -1.276) 8.390 98.851 ( 32.582 -2.575 12.816) 35.107 99.434 ( 13.702 -7.300 -1.364) 15.585 102.390 ( 0.198 0.687 0.061) 0.718 102.420 ( -0.413 0.853 -0.049) 0.949 102.612 ( -0.878 3.905 0.406) 4.023 102.810 ( -2.180 7.949 -3.988) 9.157 107.571 ( 0.481 0.109 -0.366) 0.614 107.597 ( -0.651 -0.093 0.132) 0.670 107.814 ( -4.678 -2.209 -0.407) 5.189 107.840 ( -2.418 -1.043 -1.407) 2.985 ======================= Grid point 203 (95/126) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 10.787 44.078 6.183) 45.798 2.226 ( -10.336 40.100 -8.233) 42.221 3.009 ( 3.682 40.138 23.631) 46.723 3.066 ( -7.648 44.423 18.819) 48.848 3.255 ( 7.943 46.667 10.450) 48.478 4.059 ( 5.242 6.258 -28.598) 29.740 4.785 ( 3.024 36.429 -0.626) 36.559 4.794 ( -4.535 38.701 -1.732) 39.004 5.380 ( -10.236 -1.396 9.498) 14.034 5.482 ( 1.563 8.665 -2.098) 9.051 5.836 ( -23.505 7.590 -3.264) 24.915 6.068 ( 25.401 4.097 -16.751) 30.702 6.538 ( 6.447 -20.914 7.475) 23.126 6.716 ( -4.413 -21.330 -8.488) 23.377 6.992 ( 0.288 -11.724 3.787) 12.324 7.057 ( -5.162 -12.405 -1.846) 13.562 7.146 ( -0.693 -13.445 3.439) 13.895 7.237 ( 7.559 -8.749 -3.559) 12.098 7.406 ( 6.484 -25.027 4.492) 26.241 7.510 ( -7.270 -27.987 -4.852) 29.320 7.552 ( -7.287 0.524 1.303) 7.421 7.640 ( 3.638 1.147 -4.745) 6.088 7.893 ( 6.696 -16.843 3.345) 18.431 8.012 ( -5.522 -11.317 -6.175) 14.025 8.372 ( -4.910 -1.914 3.261) 6.197 8.435 ( 4.081 -3.589 -2.215) 5.869 8.542 ( 0.278 0.529 4.505) 4.545 8.571 ( 0.043 3.307 1.684) 3.711 8.809 ( 3.366 3.537 1.192) 5.026 8.868 ( -5.291 3.133 -3.891) 7.277 9.141 ( 7.795 4.029 1.586) 8.917 9.174 ( -4.868 2.587 -1.020) 5.606 9.692 ( -1.857 -0.488 2.701) 3.314 9.726 ( 1.733 -1.467 -0.256) 2.285 10.322 ( -0.783 12.934 3.268) 13.363 10.388 ( 1.264 8.791 -2.420) 9.205 10.520 ( 1.918 -8.866 2.687) 9.461 10.584 ( -1.131 -9.950 -3.286) 10.539 10.885 ( -6.141 8.896 7.619) 13.225 10.923 ( 2.980 2.972 4.988) 6.526 11.083 ( -0.874 1.223 -5.170) 5.384 11.097 ( 2.585 0.779 -6.201) 6.763 11.350 ( -1.832 11.943 2.470) 12.333 11.423 ( 1.903 10.148 -4.212) 11.151 11.541 ( -2.358 -2.003 4.740) 5.661 11.619 ( -2.045 -6.302 -1.219) 6.737 11.671 ( -1.319 -8.929 3.353) 9.629 11.723 ( 3.950 -9.651 -1.514) 10.538 11.910 ( 2.014 -3.641 7.832) 8.869 12.029 ( 4.530 -1.215 6.097) 7.692 12.069 ( 0.190 -3.357 -5.365) 6.331 12.218 ( 1.232 -18.046 4.543) 18.650 12.233 ( -0.087 -2.870 -5.701) 6.383 12.374 ( -2.417 -15.917 -7.351) 17.698 12.786 ( -2.548 1.786 0.165) 3.116 12.839 ( -0.088 2.312 -3.166) 3.921 13.045 ( -2.851 7.644 1.050) 8.226 13.093 ( 1.060 9.258 -2.276) 9.592 13.378 ( 11.836 11.886 -0.120) 16.775 13.416 ( -10.954 10.485 -2.977) 15.453 13.500 ( 7.682 5.684 6.199) 11.391 13.607 ( -5.797 3.644 -4.031) 7.945 14.050 ( 3.626 6.998 4.739) 9.197 14.206 ( -5.945 5.874 -8.766) 12.112 14.567 ( 0.843 -0.316 1.129) 1.443 14.637 ( 0.963 0.755 -5.290) 5.429 14.864 ( -0.363 -0.986 1.849) 2.127 14.919 ( 1.552 -0.340 -2.969) 3.367 15.162 ( -9.974 -2.782 4.681) 11.363 15.247 ( 6.828 -2.953 -3.384) 8.173 15.406 ( -9.823 0.155 3.371) 10.386 15.487 ( 10.779 1.321 -2.371) 11.115 15.684 ( -0.668 2.785 2.051) 3.523 15.833 ( -1.669 3.665 -7.894) 8.862 15.859 ( -0.853 0.968 5.510) 5.660 15.927 ( 5.925 -0.493 -3.082) 6.697 16.167 ( 1.818 1.301 0.302) 2.256 16.201 ( -3.663 1.521 -1.465) 4.228 16.390 ( -4.648 -4.868 6.050) 9.050 16.453 ( 6.279 -6.786 0.835) 9.283 16.795 ( 3.587 -1.981 4.706) 6.240 16.824 ( -5.468 -4.639 1.864) 7.409 17.061 ( 10.526 -2.072 3.416) 11.259 17.105 ( -11.947 -0.854 -0.807) 12.004 17.699 ( -0.166 -4.527 3.672) 5.831 17.826 ( 1.374 -3.339 -5.631) 6.689 18.180 ( -4.396 -1.615 5.735) 7.405 18.256 ( 1.162 1.743 -2.894) 3.573 18.528 ( -0.258 3.853 0.045) 3.862 18.563 ( -0.874 4.526 -2.898) 5.445 18.876 ( 5.047 9.612 0.289) 10.861 18.943 ( -8.087 9.335 -6.240) 13.837 19.572 ( 1.976 -1.756 1.246) 2.922 19.584 ( -1.578 -1.826 0.082) 2.415 20.289 ( 3.985 -15.249 5.649) 16.742 20.354 ( -1.609 -13.680 -1.267) 13.833 20.845 ( 9.769 0.353 6.298) 11.629 20.913 ( -0.125 1.777 0.546) 1.863 21.211 ( 4.797 -3.737 6.816) 9.134 21.542 ( -11.374 -15.495 -19.611) 27.460 23.790 ( -0.446 3.839 2.523) 4.615 23.896 ( 0.276 3.070 -8.067) 8.635 24.200 ( 3.498 -5.300 2.989) 7.018 24.296 ( -2.689 -3.561 -5.547) 7.119 25.008 ( -6.676 -1.890 1.841) 7.179 25.020 ( 3.818 -2.021 0.202) 4.324 25.241 ( 7.164 3.828 3.569) 8.872 25.330 ( -1.843 3.835 -4.242) 6.008 25.762 ( 10.729 6.093 13.539) 18.318 25.988 ( -9.230 9.817 -5.614) 14.597 26.430 ( 6.531 -3.084 10.391) 12.654 26.655 ( -13.324 -2.575 -5.990) 14.834 27.167 ( 5.530 -2.111 12.407) 13.746 27.562 ( 2.229 0.536 -17.371) 17.521 28.038 ( 0.306 6.432 1.661) 6.650 28.052 ( -1.292 5.707 0.289) 5.859 28.982 ( -5.913 3.796 6.192) 9.365 29.097 ( 6.158 3.831 -1.001) 7.321 29.498 ( 2.427 -1.042 4.720) 5.409 29.638 ( -1.373 -1.225 -5.851) 6.134 29.703 ( -4.383 2.512 4.994) 7.103 29.852 ( 0.602 2.850 -6.274) 6.918 30.127 ( 0.814 0.233 0.794) 1.160 30.193 ( -0.700 0.682 -4.294) 4.404 31.528 ( -4.708 0.817 1.875) 5.133 31.570 ( 3.040 0.513 -1.807) 3.574 31.799 ( 4.626 -4.027 3.829) 7.230 31.875 ( -3.024 -6.253 -3.649) 7.846 32.294 ( 1.621 -1.293 1.811) 2.753 32.308 ( -0.931 -0.715 0.465) 1.263 32.935 ( -1.802 9.452 6.049) 11.365 33.022 ( -1.544 -7.344 1.159) 7.593 33.055 ( -0.495 -8.192 -1.828) 8.408 33.104 ( 3.111 10.223 -9.945) 14.598 33.857 ( -5.005 3.353 3.476) 6.955 33.929 ( 4.373 3.001 -2.996) 6.092 34.023 ( 3.776 4.929 1.468) 6.381 34.066 ( -1.997 5.251 -2.222) 6.041 34.657 ( -2.359 -3.062 2.533) 4.622 34.716 ( 0.427 -1.999 -2.964) 3.600 34.893 ( 2.887 15.898 3.115) 16.455 34.995 ( -0.652 15.261 -6.019) 16.418 36.028 ( -1.921 -1.507 9.011) 9.336 36.221 ( 1.510 -1.807 -8.685) 8.998 90.977 ( 0.633 2.242 1.328) 2.682 91.010 ( -0.838 2.181 -1.683) 2.879 91.780 ( 1.730 -5.923 5.778) 8.453 91.852 ( -1.561 -9.039 0.066) 9.173 93.639 ( 0.714 4.398 0.219) 4.461 93.649 ( -0.774 4.581 -0.736) 4.704 94.416 ( -2.990 -2.758 8.399) 9.332 94.590 ( 2.691 -3.828 -7.606) 8.930 94.974 ( -0.101 -4.404 7.962) 9.099 95.144 ( 0.950 -6.456 -7.441) 9.897 96.731 ( 6.555 -42.402 33.266) 54.291 97.218 ( -4.495 -35.950 -14.749) 39.117 97.972 ( 0.091 1.984 3.788) 4.277 98.053 ( -0.910 0.068 -2.968) 3.105 99.125 ( -1.912 -2.060 6.266) 6.867 99.253 ( 2.200 -5.788 -5.136) 8.045 102.421 ( 0.668 1.338 0.365) 1.540 102.429 ( -0.743 1.323 -0.396) 1.568 102.772 ( 0.531 5.561 2.969) 6.326 102.849 ( -0.227 4.610 -4.233) 6.263 107.581 ( 0.291 0.071 0.037) 0.302 107.583 ( -0.335 0.098 -0.180) 0.393 107.765 ( -0.566 -0.674 1.363) 1.623 107.794 ( 0.423 -1.054 -1.294) 1.722 ======================= Grid point 204 (96/126) ======================= q-point: ( 0.12 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( -3.946 35.764 -5.077) 36.337 2.361 ( 6.473 36.417 5.844) 37.446 3.157 ( 21.806 51.987 -3.217) 56.467 3.456 ( 27.371 50.852 -6.441) 58.108 3.554 ( 3.657 19.801 -36.759) 41.913 3.748 ( 1.362 11.287 28.202) 30.407 4.643 ( -14.697 32.784 0.733) 35.935 4.775 ( -5.972 36.620 2.001) 37.157 5.154 ( -22.383 5.315 5.047) 23.552 5.515 ( -23.696 12.115 12.480) 29.395 5.750 ( 14.195 -4.066 5.738) 15.841 6.152 ( -22.945 -17.102 -6.912) 29.440 6.273 ( 10.512 -4.810 -8.516) 14.359 6.453 ( -20.407 -15.060 1.568) 25.410 7.058 ( -5.828 -9.024 4.517) 11.654 7.118 ( -1.197 -7.908 -0.044) 7.998 7.134 ( 2.096 -11.472 -4.435) 12.477 7.271 ( 8.177 -11.384 -3.366) 14.415 7.473 ( -3.713 0.815 3.576) 5.219 7.550 ( 5.923 -8.765 -1.102) 10.636 7.704 ( 11.204 -8.423 -1.002) 14.053 7.793 ( 30.295 -21.232 4.277) 37.241 7.903 ( 4.884 -18.762 -3.598) 19.718 8.061 ( 6.150 -11.032 3.642) 13.145 8.356 ( 0.507 -5.865 4.070) 7.157 8.400 ( -7.338 -0.678 -3.545) 8.177 8.530 ( 0.196 1.116 0.243) 1.159 8.605 ( 0.192 2.824 -2.449) 3.743 8.744 ( -4.236 0.566 0.483) 4.301 8.854 ( -6.528 8.010 2.378) 10.604 8.985 ( -4.307 -4.567 -1.991) 6.586 9.326 ( 8.431 1.816 -0.935) 8.675 9.606 ( -6.878 -1.669 -0.016) 7.078 9.809 ( 4.989 -3.243 -0.293) 5.958 10.342 ( 0.103 3.297 0.944) 3.431 10.392 ( 1.070 11.761 -2.098) 11.994 10.563 ( 4.123 -8.422 -2.272) 9.648 10.617 ( 6.020 -5.028 1.855) 8.060 10.887 ( -3.749 5.620 2.674) 7.266 10.985 ( -3.796 1.282 -3.663) 5.429 11.024 ( -0.385 3.268 3.997) 5.177 11.107 ( 8.041 2.302 -1.859) 8.568 11.349 ( -3.442 6.429 0.255) 7.297 11.373 ( -3.383 5.831 2.355) 7.140 11.527 ( -3.626 -2.289 -0.165) 4.291 11.637 ( 1.882 -5.601 -2.301) 6.341 11.663 ( 1.408 -3.882 4.481) 6.094 11.745 ( 2.134 -11.691 -2.066) 12.062 11.896 ( -8.337 -2.985 -8.547) 12.307 11.995 ( 0.033 -1.655 -0.205) 1.668 12.123 ( 2.392 -3.387 -5.889) 7.203 12.189 ( 1.754 -3.418 5.237) 6.495 12.255 ( 0.191 -12.656 -2.868) 12.978 12.367 ( 3.796 -10.140 4.301) 11.650 12.765 ( -5.022 2.332 3.056) 6.324 12.807 ( -0.407 0.794 1.038) 1.369 13.059 ( -0.994 7.137 4.470) 8.479 13.099 ( 1.576 10.807 -1.193) 10.986 13.225 ( -7.664 11.461 -2.547) 14.021 13.390 ( -10.747 8.894 -4.829) 14.763 13.574 ( 7.804 7.922 0.930) 11.160 13.669 ( 7.512 2.195 2.616) 8.252 14.024 ( -1.782 7.599 -2.325) 8.144 14.226 ( 2.945 1.677 4.821) 5.893 14.558 ( -2.370 -0.686 -0.937) 2.639 14.596 ( -0.580 5.157 0.609) 5.225 14.830 ( -4.898 0.149 0.321) 4.911 14.904 ( -0.652 0.726 -1.075) 1.452 15.081 ( -7.556 -3.745 5.657) 10.155 15.275 ( -10.609 1.421 2.913) 11.093 15.367 ( 10.353 -3.003 -2.812) 11.140 15.574 ( 0.240 -0.195 -5.141) 5.150 15.630 ( -2.236 1.670 1.435) 3.139 15.776 ( -0.733 6.539 0.919) 6.644 15.831 ( -4.466 0.823 -1.374) 4.744 16.002 ( 7.190 -0.945 -2.731) 7.749 16.139 ( -2.597 -0.187 -0.122) 2.606 16.222 ( 1.584 1.180 2.132) 2.906 16.412 ( 1.118 -5.383 2.901) 6.217 16.529 ( 7.140 -7.141 -5.310) 11.409 16.756 ( -3.162 -7.561 -0.147) 8.197 16.895 ( 3.253 -0.889 0.766) 3.458 16.979 ( -2.075 -0.588 -1.833) 2.830 17.313 ( 16.201 -4.936 2.511) 17.121 17.725 ( -1.020 -0.539 -0.699) 1.349 17.786 ( 1.330 -5.039 0.381) 5.226 18.200 ( -1.925 0.645 3.909) 4.405 18.286 ( 5.588 -0.932 -1.079) 5.767 18.536 ( 2.032 3.036 1.270) 3.868 18.581 ( 3.558 4.974 1.399) 6.274 18.814 ( -3.907 9.192 -1.155) 10.054 19.013 ( 8.411 8.844 6.251) 13.713 19.546 ( -2.585 -1.993 -0.983) 3.409 19.605 ( 1.115 -1.798 0.152) 2.121 20.260 ( -6.357 -13.734 -5.724) 16.180 20.368 ( 1.474 -13.885 1.268) 14.021 20.754 ( -10.640 1.225 -7.773) 13.234 20.918 ( -5.692 -1.158 -8.809) 10.552 21.190 ( -2.963 0.480 -2.325) 3.797 21.515 ( 6.511 -15.823 16.663) 23.884 23.809 ( -1.433 2.333 -0.469) 2.778 23.847 ( 1.166 3.727 1.574) 4.210 24.167 ( -5.372 -0.964 -4.405) 7.014 24.284 ( 1.549 -5.830 4.159) 7.327 24.902 ( -8.654 -0.662 1.275) 8.773 25.051 ( -4.088 -1.736 1.270) 4.619 25.267 ( 5.246 1.854 -7.307) 9.184 25.365 ( 5.101 4.809 1.622) 7.196 25.703 ( -10.330 8.264 -10.053) 16.616 26.095 ( 10.583 7.250 5.110) 13.808 26.381 ( -7.506 2.608 -4.067) 8.926 26.737 ( 10.056 -8.357 15.736) 20.459 27.250 ( -5.405 -0.159 -23.944) 24.547 27.410 ( -0.180 1.382 12.534) 12.611 27.970 ( -8.111 7.198 -0.774) 10.872 28.047 ( -2.736 6.314 1.760) 7.103 29.011 ( -2.131 2.142 4.634) 5.532 29.132 ( 6.759 5.343 -6.771) 10.958 29.457 ( -8.701 2.355 -2.523) 9.361 29.583 ( -0.006 -2.582 4.908) 5.546 29.680 ( -0.159 -0.820 1.774) 1.961 29.982 ( 2.232 3.003 -4.389) 5.767 30.103 ( 10.809 -0.414 5.277) 12.035 30.285 ( 9.365 -1.760 -0.225) 9.532 31.477 ( -3.969 1.891 2.338) 4.979 31.647 ( 6.948 -0.176 0.066) 6.951 31.752 ( -5.130 -3.103 -4.082) 7.253 31.908 ( 3.583 -6.900 1.571) 7.932 32.259 ( -4.710 -2.005 -0.823) 5.185 32.316 ( 0.066 0.729 -0.383) 0.826 32.864 ( -10.233 -0.255 -2.202) 10.471 32.913 ( -7.432 2.090 4.545) 8.959 33.161 ( 10.283 2.501 -4.589) 11.535 33.174 ( 9.373 -2.056 4.222) 10.483 33.804 ( -7.833 4.399 2.124) 9.232 33.924 ( -0.427 2.956 -1.444) 3.317 34.005 ( -0.846 4.404 -1.745) 4.812 34.111 ( 5.145 5.662 -0.444) 7.663 34.612 ( -5.121 -0.380 1.876) 5.467 34.698 ( -1.622 -2.036 -0.165) 2.608 34.965 ( 7.191 14.999 -3.772) 17.056 35.029 ( 7.727 12.353 2.326) 14.755 36.101 ( -3.083 -1.914 4.955) 6.142 36.130 ( 0.462 -1.279 -4.368) 4.575 90.968 ( -1.591 2.388 -0.641) 2.940 91.015 ( 1.230 2.115 0.968) 2.631 91.798 ( -1.780 -6.682 -4.077) 8.027 91.857 ( 1.048 -7.726 2.615) 8.224 93.630 ( -0.621 4.332 -0.205) 4.382 93.661 ( 1.330 4.612 0.361) 4.813 94.448 ( -6.603 -3.701 6.801) 10.176 94.498 ( -1.215 -1.402 -6.490) 6.750 95.117 ( 9.363 -8.162 -8.371) 14.978 95.144 ( 9.231 -6.136 6.922) 13.068 96.794 ( -16.818 -35.299 -21.973) 44.852 97.111 ( -1.944 -41.989 15.920) 44.947 97.991 ( -1.684 1.869 -3.191) 4.064 98.020 ( -0.946 0.230 4.114) 4.227 98.975 ( -15.935 4.434 0.372) 16.545 99.278 ( -0.332 -5.001 -0.931) 5.098 102.415 ( -0.447 1.374 -0.305) 1.477 102.437 ( 0.752 1.262 0.389) 1.520 102.743 ( -2.969 5.986 -0.634) 6.712 102.873 ( 3.306 3.826 0.508) 5.082 107.571 ( -0.546 0.224 0.006) 0.590 107.595 ( 0.901 -0.083 0.046) 0.906 107.783 ( 0.827 -1.090 0.746) 1.558 107.801 ( 2.234 -1.367 -0.522) 2.671 ======================= Grid point 205 (97/126) ======================= q-point: ( 0.25 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 24.112 21.006 -4.527) 32.297 2.568 ( 13.499 23.984 7.522) 28.532 2.770 ( 4.039 17.020 -54.622) 57.354 3.591 ( -18.431 13.861 -11.807) 25.908 3.743 ( 22.063 49.792 6.048) 54.796 4.025 ( 35.875 49.137 -4.515) 61.007 4.443 ( -15.860 28.684 3.014) 32.915 4.631 ( -18.369 35.580 -1.602) 40.074 5.067 ( -14.602 -8.757 24.771) 30.058 5.411 ( -15.525 8.648 18.986) 26.005 5.655 ( -23.995 -5.550 0.731) 24.639 6.054 ( 6.550 -1.617 3.566) 7.631 6.117 ( -11.447 -13.714 2.699) 18.066 6.562 ( 19.889 -0.873 -2.681) 20.088 6.931 ( -7.915 -8.628 -3.063) 12.102 7.065 ( -1.154 -9.035 -4.440) 10.133 7.089 ( -1.778 -12.389 -0.991) 12.555 7.308 ( -5.496 -3.176 2.756) 6.920 7.495 ( -0.087 -3.148 3.947) 5.050 7.548 ( -3.884 2.265 -2.269) 5.036 7.844 ( 5.659 -5.633 3.307) 8.642 7.899 ( -7.878 3.303 1.831) 8.736 8.090 ( 3.060 -7.498 -2.205) 8.393 8.221 ( -3.509 -2.671 0.124) 4.411 8.374 ( 19.531 -5.999 0.852) 20.450 8.486 ( -4.639 -3.053 -4.856) 7.377 8.516 ( 15.046 -13.995 2.412) 20.690 8.601 ( 7.771 -8.769 -1.583) 11.823 8.703 ( -3.004 5.744 2.745) 7.040 8.848 ( 13.062 -8.682 0.241) 15.686 9.012 ( 4.491 -5.721 2.692) 7.756 9.389 ( 4.442 -3.679 -2.288) 6.205 9.517 ( -4.119 -3.759 -1.360) 5.740 9.840 ( 1.532 -5.740 -2.506) 6.447 10.331 ( -5.672 3.970 -0.908) 6.983 10.352 ( -1.814 -2.864 -0.439) 3.419 10.552 ( -3.563 -8.126 -2.913) 9.339 10.722 ( -0.600 -1.945 1.909) 2.791 10.840 ( 0.292 2.750 -0.499) 2.810 10.891 ( -5.381 2.755 -2.429) 6.515 10.984 ( -5.557 -4.430 1.056) 7.184 11.277 ( 12.746 10.328 1.419) 16.466 11.309 ( -3.643 -1.316 4.875) 6.227 11.387 ( 0.958 6.506 0.914) 6.639 11.510 ( 2.827 0.714 -1.598) 3.325 11.584 ( -6.890 -17.900 -1.134) 19.214 11.631 ( 1.079 1.518 -11.037) 11.193 11.776 ( 4.863 -8.237 -2.908) 9.998 11.814 ( 8.950 0.777 3.056) 9.489 12.008 ( 1.487 -4.188 -2.151) 4.938 12.082 ( -2.019 3.048 -2.683) 4.535 12.162 ( -0.118 -14.293 -3.969) 14.834 12.284 ( 1.293 -0.949 0.595) 1.711 12.460 ( 0.551 -1.370 5.099) 5.308 12.689 ( -9.330 3.697 0.978) 10.083 12.862 ( -0.723 2.459 5.325) 5.910 12.979 ( -15.932 10.236 -1.896) 19.032 13.068 ( -5.038 8.785 5.484) 11.517 13.181 ( 1.552 17.909 -0.914) 17.999 13.297 ( 6.088 4.213 -0.456) 7.418 13.639 ( 2.386 5.391 1.099) 5.997 13.803 ( 7.342 2.338 0.251) 7.709 14.069 ( 6.705 9.903 0.945) 11.997 14.186 ( -11.911 -4.607 1.810) 12.898 14.536 ( -1.606 -3.355 1.015) 3.855 14.642 ( -0.374 13.935 5.766) 15.085 14.781 ( -4.551 1.456 2.726) 5.501 14.871 ( -1.444 0.913 -0.661) 1.832 15.078 ( -4.612 -3.907 6.871) 9.151 15.169 ( -7.514 3.418 0.823) 8.295 15.418 ( -2.907 -4.428 -1.389) 5.476 15.455 ( 4.209 -0.702 -5.413) 6.893 15.695 ( -2.548 5.545 -1.331) 6.246 15.745 ( 1.974 0.645 3.700) 4.243 15.779 ( -1.691 2.394 -0.139) 2.934 16.025 ( -0.686 -2.229 -2.680) 3.553 16.127 ( 0.340 -2.303 1.867) 2.984 16.255 ( 1.678 -4.733 0.702) 5.071 16.448 ( 2.824 -8.606 -5.960) 10.843 16.531 ( 3.110 -4.244 -5.903) 7.908 16.758 ( 3.443 -4.264 -2.455) 6.005 16.910 ( 2.482 -2.157 1.037) 3.448 16.979 ( 6.062 -0.762 -4.767) 7.750 17.511 ( 7.323 -5.730 0.607) 9.318 17.720 ( 4.351 -1.996 -2.756) 5.523 17.871 ( 2.817 -6.087 6.542) 9.369 18.190 ( -3.176 0.523 -0.018) 3.219 18.334 ( 4.610 -5.825 -5.301) 9.126 18.639 ( 5.944 -1.297 2.998) 6.783 18.661 ( 4.172 5.318 2.152) 7.093 18.789 ( -0.854 9.853 2.254) 10.144 19.228 ( 1.331 1.416 7.471) 7.720 19.510 ( 0.129 1.247 1.364) 1.852 19.618 ( 1.618 -1.759 -0.643) 2.475 19.921 ( -12.876 -8.385 -18.973) 24.414 20.386 ( 0.477 -12.922 -0.294) 12.934 20.537 ( -4.546 -1.891 -0.946) 5.013 20.748 ( -5.332 7.152 1.714) 9.085 21.263 ( 2.549 5.289 3.649) 6.913 21.730 ( -2.981 -14.752 11.981) 19.237 23.775 ( -0.853 2.274 -0.833) 2.568 23.907 ( -2.335 0.515 5.333) 5.845 24.088 ( -0.929 6.451 3.505) 7.400 24.361 ( 2.037 -3.481 4.300) 5.895 24.812 ( -7.065 1.334 3.315) 7.917 24.941 ( -8.928 -1.018 -1.794) 9.163 25.254 ( 6.976 5.026 -11.763) 14.570 25.415 ( 2.803 5.032 -1.659) 5.994 25.547 ( -1.313 3.458 0.778) 3.780 26.084 ( -3.106 -2.953 -6.328) 7.642 26.457 ( 9.518 10.785 3.329) 14.765 26.782 ( -5.297 2.045 -28.392) 28.955 27.081 ( 2.149 -5.593 14.035) 15.260 27.503 ( -4.401 3.015 9.989) 11.325 27.758 ( -11.694 8.708 -9.810) 17.573 28.076 ( -1.003 6.091 8.436) 10.453 28.979 ( -1.785 0.161 -5.765) 6.037 29.159 ( 5.182 2.834 -2.747) 6.514 29.364 ( -1.846 1.634 0.699) 2.563 29.664 ( -0.558 -2.405 4.983) 5.561 29.725 ( 3.975 -1.112 1.169) 4.290 29.876 ( -4.568 2.044 -3.290) 5.989 30.389 ( 6.754 -5.353 0.958) 8.671 30.407 ( 13.330 -1.980 3.259) 13.865 31.479 ( 0.188 1.198 1.977) 2.319 31.617 ( -5.143 3.038 -2.879) 6.631 31.767 ( 7.563 -2.285 0.562) 7.921 31.946 ( -0.340 -7.208 0.697) 7.250 32.176 ( -4.781 -2.360 -0.411) 5.347 32.304 ( 1.123 -0.040 -2.349) 2.604 32.706 ( -8.448 0.243 -0.875) 8.497 32.851 ( -7.198 -2.402 1.831) 7.806 33.248 ( 8.129 2.130 -3.237) 9.006 33.400 ( 8.297 0.333 10.211) 13.161 33.686 ( -9.479 5.895 -0.123) 11.163 33.894 ( -2.096 3.110 0.052) 3.751 33.998 ( 1.220 2.806 -0.188) 3.065 34.155 ( 3.584 6.265 -2.469) 7.629 34.587 ( -2.410 -1.271 2.983) 4.041 34.673 ( -0.590 -1.074 -0.262) 1.253 35.064 ( 9.238 12.504 -0.890) 15.572 35.163 ( 6.129 10.872 2.062) 12.650 36.044 ( 1.716 -1.228 -5.269) 5.675 36.156 ( -4.980 -1.030 6.998) 8.651 90.947 ( -0.785 2.508 0.387) 2.657 91.035 ( 0.172 1.899 0.211) 1.919 91.710 ( -1.128 -4.993 -6.079) 7.947 91.857 ( -0.690 -8.880 -3.589) 9.603 93.626 ( -0.108 3.979 0.342) 3.996 93.681 ( 0.926 4.712 -0.072) 4.802 94.389 ( -5.458 -2.926 -0.500) 6.213 94.428 ( -3.021 -0.353 -0.766) 3.136 95.104 ( 10.118 -10.278 -15.435) 21.125 95.450 ( 14.485 -11.839 8.191) 20.422 96.167 ( -15.185 -21.708 -30.673) 40.530 97.174 ( -13.758 -37.784 11.442) 41.808 97.930 ( -1.553 2.542 -2.264) 3.742 98.035 ( -2.546 -1.355 1.942) 3.477 98.798 ( -6.984 13.445 0.168) 15.152 99.195 ( -9.301 1.153 0.187) 9.374 102.410 ( -0.076 1.370 -0.026) 1.373 102.447 ( 0.154 1.275 -0.015) 1.285 102.725 ( 1.422 5.023 -0.285) 5.228 102.905 ( -0.479 3.053 1.025) 3.256 107.567 ( -0.157 0.243 0.309) 0.423 107.605 ( 0.489 -0.095 -0.191) 0.534 107.809 ( 1.468 -1.803 0.614) 2.405 107.836 ( 2.551 -2.536 0.129) 3.599 ======================= Grid point 206 (98/126) ======================= q-point: ( 0.38 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 19.084 21.691 -42.737) 51.586 2.453 ( 37.494 12.437 -4.911) 39.807 2.849 ( -7.584 14.627 -9.403) 18.971 3.086 ( 6.788 11.907 -6.730) 15.269 3.698 ( -30.584 23.581 -1.704) 38.657 4.109 ( -39.634 11.780 4.142) 41.555 4.478 ( 26.107 43.176 -1.714) 50.484 4.684 ( 33.463 35.985 -1.202) 49.154 5.076 ( -12.389 11.178 7.127) 18.144 5.443 ( -18.281 12.348 10.802) 24.563 5.609 ( 3.336 6.705 19.730) 21.103 5.895 ( -19.490 11.503 8.876) 24.309 6.320 ( 14.215 -14.219 2.860) 20.308 6.727 ( 1.036 -15.357 -1.871) 15.505 6.831 ( 3.404 -7.520 -2.806) 8.719 7.031 ( 3.644 -4.773 -3.125) 6.769 7.091 ( 4.920 -7.472 -1.114) 9.015 7.192 ( -13.310 0.621 0.850) 13.352 7.383 ( -14.547 4.106 2.248) 15.281 7.536 ( -0.498 -4.165 1.640) 4.504 7.773 ( -7.066 8.075 1.364) 10.816 7.939 ( 0.297 -4.438 0.657) 4.496 8.043 ( -1.295 0.825 -2.226) 2.704 8.179 ( -5.739 1.229 -1.623) 6.090 8.348 ( 4.417 -4.312 -6.303) 8.822 8.523 ( 2.430 -1.762 5.707) 6.448 8.606 ( -1.807 -4.701 -0.018) 5.036 8.720 ( -1.831 3.722 2.707) 4.953 8.882 ( 14.822 -13.376 2.607) 20.135 9.191 ( 26.397 -16.456 3.380) 31.290 9.248 ( 22.570 -12.281 -1.059) 25.717 9.406 ( 6.954 -12.681 -7.342) 16.220 9.488 ( 1.852 -2.719 3.355) 4.699 9.791 ( -1.617 -6.301 -4.426) 7.868 10.117 ( -22.319 -7.351 -0.359) 23.502 10.284 ( -10.767 -7.421 -0.900) 13.108 10.421 ( -6.635 -8.186 -0.524) 10.550 10.581 ( -12.705 -1.973 -0.671) 12.874 10.771 ( -2.724 3.704 -2.765) 5.365 10.916 ( 1.442 4.613 -0.413) 4.851 10.998 ( 4.829 -6.336 2.604) 8.381 11.270 ( -2.721 3.243 -3.679) 5.608 11.401 ( 1.823 -12.611 -0.530) 12.753 11.450 ( 6.028 -0.828 -0.409) 6.099 11.551 ( 1.728 -17.447 1.144) 17.570 11.569 ( 7.690 3.142 2.484) 8.670 11.653 ( 9.003 10.431 -0.756) 13.800 11.803 ( 3.089 -12.777 -2.595) 13.399 11.926 ( 3.761 5.480 -7.559) 10.065 11.995 ( -3.918 2.739 -0.425) 4.799 12.020 ( 4.331 5.401 2.376) 7.319 12.159 ( 3.165 -6.678 -0.203) 7.393 12.302 ( 1.194 -0.192 -0.853) 1.480 12.453 ( -8.828 3.532 0.680) 9.533 12.521 ( -13.627 8.549 -1.312) 16.140 12.765 ( -5.076 3.320 -0.787) 6.116 12.863 ( -1.711 2.685 0.669) 3.253 13.104 ( -4.617 16.562 2.986) 17.451 13.207 ( 0.804 16.621 6.287) 17.789 13.403 ( 7.644 6.509 -1.989) 10.235 13.732 ( 6.886 1.558 1.609) 7.241 13.894 ( 4.889 5.937 0.843) 7.737 13.982 ( -14.139 -1.165 5.204) 15.111 14.229 ( 7.011 7.350 1.131) 10.221 14.519 ( -2.373 0.993 1.171) 2.827 14.655 ( -4.607 4.458 2.534) 6.894 14.751 ( -5.341 -0.547 3.607) 6.468 14.851 ( -1.402 2.947 -0.465) 3.297 15.050 ( -4.662 1.598 2.169) 5.385 15.155 ( -0.581 1.683 4.118) 4.486 15.385 ( -3.323 0.507 1.573) 3.711 15.460 ( 6.069 -5.529 -4.983) 9.604 15.641 ( -1.396 4.096 0.536) 4.360 15.742 ( -1.070 -0.699 0.958) 1.597 15.895 ( 4.830 1.506 5.720) 7.636 15.936 ( -5.122 -4.174 -1.633) 6.806 16.150 ( 0.018 -2.604 -0.955) 2.774 16.275 ( 0.177 -2.115 -1.147) 2.412 16.389 ( 2.946 -9.103 -8.049) 12.503 16.481 ( 1.866 -6.191 -4.779) 8.040 16.708 ( 0.896 -1.565 -7.590) 7.801 16.948 ( 1.006 -2.211 -3.347) 4.136 17.108 ( 8.897 -2.274 6.577) 11.295 17.570 ( 1.027 -3.230 -0.673) 3.455 17.761 ( 5.663 -2.913 -2.674) 6.906 17.967 ( 0.161 -6.986 3.830) 7.969 18.117 ( -2.146 -1.845 -5.467) 6.156 18.235 ( -3.169 -12.459 -11.549) 17.281 18.711 ( -0.171 0.754 1.811) 1.969 18.743 ( 3.204 5.239 0.820) 6.196 18.834 ( 2.392 6.187 2.168) 6.978 19.086 ( -11.123 4.160 -5.084) 12.918 19.501 ( -3.334 0.713 -3.421) 4.829 19.538 ( -1.361 -1.724 -2.863) 3.609 19.959 ( 14.592 -2.736 8.667) 17.191 20.373 ( -1.030 -12.719 -1.747) 12.879 20.597 ( 4.833 1.280 9.547) 10.777 20.827 ( 4.805 4.636 12.131) 13.847 21.278 ( -2.694 4.605 -1.919) 5.670 21.709 ( -12.611 -12.423 2.260) 17.846 23.782 ( 1.934 2.266 1.115) 3.181 23.896 ( -3.997 0.658 2.285) 4.651 24.258 ( 2.611 9.360 18.039) 20.490 24.452 ( 3.898 -1.786 3.082) 5.281 24.780 ( -8.613 -0.562 2.361) 8.948 24.810 ( -2.503 1.605 3.521) 4.608 25.203 ( 7.663 4.607 -11.661) 14.694 25.451 ( 4.401 4.588 -1.715) 6.585 25.557 ( -2.130 5.867 0.424) 6.256 25.939 ( -0.727 -6.050 -15.120) 16.301 26.383 ( -5.034 2.831 -13.466) 14.652 26.592 ( 3.800 4.215 -2.002) 6.018 27.172 ( -2.921 7.805 3.195) 8.925 27.439 ( -9.032 11.332 -12.955) 19.438 27.626 ( 1.558 -1.248 12.591) 12.748 28.219 ( 0.093 3.615 11.640) 12.189 28.836 ( -1.874 -1.199 -9.527) 9.784 29.175 ( 0.880 -5.277 -2.439) 5.880 29.403 ( 3.357 5.350 1.285) 6.446 29.650 ( -1.715 0.347 -4.095) 4.453 29.777 ( -2.706 1.795 2.183) 3.913 29.827 ( 1.496 0.033 1.748) 2.301 30.450 ( 4.176 -5.823 -0.634) 7.193 30.563 ( 2.764 -5.349 0.029) 6.021 31.520 ( 5.563 2.227 -1.213) 6.114 31.569 ( -2.580 4.902 3.414) 6.507 31.861 ( 2.751 -5.198 1.220) 6.006 31.931 ( -1.234 -6.782 -0.378) 6.903 32.131 ( -1.675 0.103 1.400) 2.185 32.289 ( 1.950 -1.228 -4.009) 4.624 32.610 ( -4.907 -0.169 1.335) 5.088 32.754 ( -6.436 -3.700 -0.917) 7.480 33.316 ( 7.143 3.121 -2.850) 8.300 33.507 ( -10.431 4.591 1.975) 11.566 33.661 ( 4.195 1.367 7.893) 9.043 33.867 ( -1.848 2.408 0.189) 3.041 34.030 ( 1.743 1.488 1.712) 2.861 34.160 ( 2.589 5.470 -3.419) 6.950 34.612 ( -0.434 -2.614 3.774) 4.612 34.677 ( 0.710 -2.310 0.348) 2.442 35.182 ( 6.975 10.879 0.383) 12.929 35.244 ( 2.138 10.314 1.100) 10.590 36.048 ( 5.031 -0.738 -1.841) 5.408 36.145 ( -6.882 -0.462 4.884) 8.452 90.955 ( 0.170 2.374 1.424) 2.774 91.024 ( -0.841 1.946 -0.900) 2.303 91.619 ( -0.645 -3.880 -6.093) 7.252 91.751 ( -1.381 -7.443 -9.629) 12.248 93.634 ( 0.242 3.916 0.714) 3.988 93.682 ( -0.023 4.710 -0.700) 4.761 94.304 ( -5.802 -2.318 0.422) 6.263 94.384 ( 1.145 0.411 -3.722) 3.916 95.011 ( 4.055 -9.635 -14.513) 17.886 95.391 ( -4.040 -7.038 -22.743) 24.147 96.101 ( 22.755 -15.015 7.571) 28.295 97.012 ( -23.177 -31.771 5.782) 39.749 97.899 ( -0.288 1.891 -0.410) 1.956 98.002 ( -2.219 -0.900 -1.123) 2.645 98.786 ( 2.293 14.454 2.033) 14.775 99.049 ( -10.196 7.239 0.159) 12.505 102.412 ( 0.190 1.346 0.281) 1.388 102.443 ( -0.214 1.320 -0.413) 1.399 102.766 ( 3.745 3.638 0.352) 5.233 102.887 ( -3.017 2.841 0.436) 4.168 107.573 ( 0.073 0.196 0.612) 0.647 107.605 ( 0.173 -0.004 -0.470) 0.501 107.836 ( 0.979 -2.427 0.855) 2.754 107.867 ( 1.360 -3.587 0.010) 3.836 ======================= Grid point 207 (99/126) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( -19.796 21.953 -16.480) 33.844 2.219 ( 20.876 24.099 -21.613) 38.519 3.046 ( 23.520 11.983 1.803) 26.458 3.127 ( -20.975 11.638 -6.022) 24.732 3.540 ( -11.543 2.562 4.640) 12.702 3.577 ( 9.702 8.267 1.215) 12.804 4.786 ( 0.109 28.854 0.727) 28.863 4.803 ( -2.685 33.061 -0.520) 33.174 5.236 ( 20.773 30.312 2.238) 36.815 5.258 ( -16.747 24.965 1.230) 30.087 5.766 ( -14.826 12.883 16.003) 25.335 5.906 ( 11.175 8.742 4.313) 14.829 6.495 ( -6.538 -19.377 7.671) 21.842 6.663 ( 8.226 -17.498 -7.975) 20.915 6.925 ( 10.504 -2.627 -0.177) 10.829 6.956 ( -11.213 -2.739 -2.725) 11.859 7.091 ( 4.110 -3.561 -0.378) 5.451 7.098 ( -3.838 -3.929 -0.980) 5.579 7.374 ( 4.721 -2.082 6.340) 8.174 7.489 ( -2.874 -1.290 -3.480) 4.694 7.769 ( -0.605 5.805 6.080) 8.428 7.901 ( 0.373 0.567 -4.655) 4.704 8.008 ( -5.171 1.685 0.495) 5.461 8.066 ( 2.657 0.232 -4.428) 5.170 8.441 ( 8.547 -4.081 0.328) 9.477 8.484 ( -5.638 -3.484 -3.216) 7.367 8.672 ( 1.608 -0.387 5.204) 5.460 8.717 ( -2.285 1.553 1.532) 3.159 9.049 ( 1.765 -10.936 8.221) 13.794 9.251 ( -3.128 -11.228 -9.456) 15.009 9.479 ( -0.323 -6.761 2.904) 7.365 9.548 ( -3.406 -12.003 -2.427) 12.711 9.630 ( -4.588 -13.572 1.893) 14.451 9.684 ( 8.812 -15.967 -3.176) 18.512 9.935 ( 0.037 -8.615 3.574) 9.327 10.031 ( 1.238 -6.204 -4.917) 8.012 10.409 ( 2.409 -5.145 1.153) 5.797 10.446 ( -2.705 -5.139 -2.249) 6.228 10.755 ( -1.742 3.912 3.192) 5.342 10.862 ( -0.272 2.891 -5.407) 6.137 11.094 ( -0.516 -5.470 4.810) 7.302 11.200 ( 0.471 1.693 -4.532) 4.861 11.430 ( 1.523 -16.976 0.635) 17.056 11.469 ( -0.619 -17.409 -2.500) 17.598 11.617 ( 2.819 -16.877 2.856) 17.348 11.670 ( 1.323 -5.092 0.879) 5.333 11.712 ( 0.266 0.571 -0.125) 0.642 11.780 ( -7.452 10.148 -1.952) 12.740 11.927 ( -1.240 13.662 -0.926) 13.749 11.951 ( 5.258 15.862 -1.658) 16.793 12.107 ( -6.963 5.151 2.055) 8.901 12.137 ( 5.644 -0.543 -1.569) 5.883 12.289 ( -3.443 -0.133 1.238) 3.661 12.358 ( 5.488 -1.355 -4.035) 6.945 12.449 ( 1.873 0.292 6.542) 6.811 12.664 ( -0.724 2.731 -9.959) 10.352 12.950 ( 7.282 12.017 3.720) 14.535 13.000 ( -7.912 15.446 -1.536) 17.422 13.313 ( -0.609 13.409 6.811) 15.052 13.440 ( 3.512 9.348 -4.820) 11.089 13.768 ( -11.552 -0.021 7.730) 13.900 13.880 ( 4.051 1.073 -2.205) 4.735 14.092 ( 7.842 8.246 7.490) 13.623 14.247 ( -0.265 7.582 -5.484) 9.361 14.548 ( 3.954 3.852 2.203) 5.944 14.597 ( -4.070 2.695 -1.084) 5.000 14.740 ( -3.681 -5.025 5.674) 8.426 14.809 ( -1.742 0.425 -1.523) 2.353 15.063 ( -1.705 4.043 5.082) 6.714 15.174 ( 2.916 3.038 -3.202) 5.290 15.350 ( -5.544 -2.366 3.998) 7.233 15.488 ( 7.117 -4.795 -6.834) 10.970 15.672 ( 1.446 2.255 3.499) 4.406 15.764 ( -1.169 1.340 -0.516) 1.852 15.836 ( -4.692 -3.197 6.200) 8.407 16.027 ( 3.899 -0.716 -1.615) 4.281 16.138 ( 2.112 -3.521 -0.265) 4.115 16.202 ( -2.914 -5.248 -6.777) 9.053 16.354 ( -2.317 -4.846 2.742) 6.031 16.464 ( 3.773 -4.347 -6.489) 8.674 16.690 ( 2.870 -0.690 2.610) 3.940 16.852 ( -3.557 0.238 -8.301) 9.034 17.302 ( 2.426 -4.337 9.942) 11.115 17.496 ( -4.964 -2.368 -6.531) 8.538 17.803 ( 3.083 -2.758 -1.063) 4.271 17.915 ( -4.099 -2.661 -9.130) 10.356 18.042 ( -1.041 -8.846 1.781) 9.083 18.099 ( 0.004 -9.776 -2.429) 10.073 18.711 ( -3.581 4.362 3.881) 6.849 18.777 ( 2.181 3.678 -1.471) 4.522 18.891 ( 0.674 6.563 3.131) 7.303 18.960 ( -1.211 8.027 -3.209) 8.729 19.458 ( 0.540 -1.166 -0.357) 1.334 19.485 ( -0.935 -1.736 -2.696) 3.340 20.205 ( 6.509 -8.933 5.170) 12.202 20.303 ( -3.364 -11.536 -4.110) 12.700 20.876 ( 9.286 4.202 14.387) 17.631 21.135 ( -6.994 4.231 -8.554) 11.832 21.183 ( 16.890 -3.926 16.032) 23.616 21.444 ( -17.156 -8.285 -7.965) 20.650 23.849 ( 0.882 1.105 1.703) 2.213 23.862 ( 0.093 2.743 0.349) 2.767 24.486 ( -5.646 4.514 12.272) 14.243 24.554 ( 6.001 -1.902 2.664) 6.836 24.751 ( -0.579 2.522 11.116) 11.414 24.906 ( 0.476 3.743 10.862) 11.499 25.162 ( 7.173 2.620 -13.235) 15.280 25.349 ( -2.349 3.393 -20.936) 21.339 25.574 ( 5.413 4.529 3.175) 7.739 25.681 ( -7.293 0.596 -10.396) 12.713 26.346 ( 3.057 0.037 4.624) 5.543 26.499 ( -6.214 0.530 -8.040) 10.175 27.167 ( -0.701 11.973 1.717) 12.116 27.253 ( 2.326 10.564 -7.702) 13.279 27.861 ( 5.216 1.059 16.766) 17.590 28.198 ( -6.389 0.483 -10.020) 11.893 28.835 ( 3.014 -2.591 9.772) 10.549 29.096 ( -2.205 -6.717 -9.811) 12.093 29.455 ( 2.077 6.008 1.702) 6.580 29.540 ( -3.087 3.215 -5.881) 7.379 29.796 ( -1.184 1.818 4.920) 5.377 29.863 ( 2.070 0.947 -1.131) 2.542 30.500 ( -0.817 -5.250 0.970) 5.401 30.530 ( -0.193 -5.688 -1.930) 6.009 31.555 ( -6.655 2.470 3.595) 7.957 31.617 ( 8.353 3.253 -1.974) 9.179 31.873 ( -2.916 -5.973 2.270) 7.024 31.923 ( 2.835 -6.503 -2.255) 7.444 32.152 ( -1.700 0.398 4.073) 4.432 32.251 ( 0.899 -0.003 -4.981) 5.062 32.611 ( 1.666 -2.456 2.775) 4.063 32.665 ( -2.327 -1.870 -2.195) 3.706 33.371 ( -8.398 4.829 0.693) 9.712 33.401 ( 8.449 4.839 -2.080) 9.956 33.778 ( -0.228 0.875 5.514) 5.588 33.845 ( -0.970 0.905 -0.456) 1.403 34.080 ( 0.789 1.226 2.306) 2.729 34.145 ( 1.668 3.511 -3.798) 5.434 34.655 ( -0.417 -3.995 3.201) 5.136 34.688 ( 0.199 -3.472 -0.052) 3.478 35.253 ( -2.062 9.964 0.404) 10.184 35.261 ( 3.460 10.167 -0.155) 10.741 36.075 ( -8.401 -0.311 4.085) 9.347 36.138 ( 7.763 -0.312 -1.694) 7.952 90.981 ( 0.306 2.073 1.373) 2.505 91.000 ( -0.319 2.168 -0.860) 2.354 91.548 ( -0.955 -3.158 -2.688) 4.256 91.619 ( 0.033 -4.485 -8.262) 9.400 93.650 ( 0.511 4.161 0.958) 4.300 93.668 ( -0.446 4.420 -0.773) 4.509 94.251 ( -4.100 -1.235 2.888) 5.165 94.364 ( 4.467 -0.831 -6.160) 7.655 94.922 ( -0.426 -3.282 -1.293) 3.553 95.113 ( 1.233 -1.337 -18.148) 18.239 96.569 ( 13.216 -23.963 10.061) 29.157 96.694 ( -14.280 -23.655 -1.494) 27.672 97.909 ( 0.432 0.689 1.504) 1.709 97.956 ( -0.764 -0.264 -2.408) 2.540 98.864 ( -2.073 12.364 4.200) 13.222 98.942 ( 2.546 10.530 -2.839) 11.199 102.421 ( 0.299 1.326 0.492) 1.445 102.432 ( -0.315 1.311 -0.562) 1.460 102.824 ( 0.066 3.145 1.047) 3.315 102.843 ( 0.116 2.722 -0.709) 2.815 107.583 ( 0.107 0.123 0.738) 0.756 107.599 ( -0.040 0.070 -0.675) 0.680 107.856 ( -0.090 -3.245 1.028) 3.405 107.873 ( -0.036 -3.465 -0.486) 3.500 ======================= Grid point 208 (100/126) ======================= q-point: (-0.38 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -27.188 29.275 6.242) 40.437 2.420 ( -27.375 12.806 -1.323) 30.251 2.681 ( 26.609 20.954 -1.949) 33.925 3.061 ( -28.821 10.591 1.985) 30.770 3.683 ( 38.572 20.401 -0.285) 43.635 4.147 ( 35.114 13.102 2.045) 37.535 4.445 ( -27.875 42.367 -0.295) 50.716 4.680 ( -31.653 35.560 -0.125) 47.607 5.144 ( 11.189 16.940 -1.770) 20.379 5.556 ( 18.062 14.083 -0.800) 22.917 5.771 ( -6.208 5.768 6.707) 10.807 6.093 ( 16.030 5.979 -5.704) 18.034 6.308 ( -20.937 -14.287 1.790) 25.410 6.768 ( 6.452 -15.997 -3.553) 17.611 6.810 ( -0.177 -8.426 -1.947) 8.649 7.002 ( -3.828 -8.897 0.020) 9.685 7.095 ( -2.306 -5.428 -1.109) 6.001 7.181 ( 14.744 2.962 1.253) 15.090 7.457 ( 7.584 1.869 -4.087) 8.815 7.527 ( 5.183 -4.663 2.683) 7.470 7.817 ( 2.131 2.800 0.368) 3.537 7.922 ( 4.138 -0.436 0.615) 4.206 7.978 ( 1.993 5.898 2.384) 6.667 8.128 ( 6.558 0.940 1.094) 6.715 8.333 ( -6.994 -4.338 -3.823) 9.075 8.545 ( 2.533 -2.129 0.575) 3.358 8.673 ( -1.778 -1.994 -2.822) 3.886 8.733 ( -0.766 1.811 2.146) 2.911 8.941 ( -25.837 -17.558 -1.706) 31.285 9.195 ( 0.409 -11.022 8.473) 13.908 9.247 ( -28.389 -17.892 -0.733) 33.565 9.293 ( -12.658 -9.924 -4.144) 16.609 9.589 ( 0.932 -5.930 -4.715) 7.633 9.669 ( -5.565 -1.837 5.118) 7.781 10.142 ( 24.509 -7.780 -2.295) 25.816 10.262 ( 9.942 -6.303 0.769) 11.796 10.426 ( 5.333 -7.099 -1.215) 8.961 10.561 ( 14.309 -3.152 1.206) 14.701 10.728 ( -2.256 2.707 1.724) 3.923 10.885 ( 4.524 2.672 1.288) 5.410 11.057 ( -8.506 -2.851 0.220) 8.973 11.179 ( 1.129 -2.865 -0.290) 3.093 11.393 ( -4.379 -3.621 0.283) 5.689 11.463 ( -0.450 -16.193 -0.584) 16.210 11.596 ( -2.319 -11.744 -3.010) 12.343 11.601 ( -13.437 8.524 0.780) 15.932 11.678 ( -4.782 4.738 -2.700) 7.253 11.742 ( -1.468 -11.727 4.257) 12.562 11.789 ( -3.530 6.328 2.740) 7.747 12.020 ( 3.212 3.043 -2.006) 4.858 12.046 ( -3.936 1.849 0.487) 4.376 12.186 ( -0.240 -4.499 -0.919) 4.598 12.309 ( -0.811 5.364 -1.688) 5.682 12.468 ( 12.445 4.883 -0.474) 13.377 12.554 ( 10.966 3.232 -5.409) 12.647 12.663 ( 9.226 2.696 4.624) 10.666 12.871 ( -3.968 4.982 -1.440) 6.529 13.107 ( 6.060 18.749 2.915) 19.918 13.324 ( -3.890 11.851 -0.105) 12.473 13.396 ( -0.621 10.886 -4.668) 11.860 13.690 ( -10.819 -1.029 6.752) 12.794 13.902 ( -2.412 6.409 -0.017) 6.848 14.164 ( 7.677 -1.152 -7.986) 11.138 14.244 ( 0.961 11.164 -1.479) 11.302 14.556 ( 3.928 6.069 -1.919) 7.480 14.643 ( 2.310 4.530 2.599) 5.710 14.763 ( -1.004 -2.361 3.746) 4.540 14.812 ( 1.663 -2.605 2.762) 4.144 15.080 ( -1.407 2.696 1.535) 3.406 15.198 ( 5.704 2.834 -2.987) 7.035 15.335 ( -4.852 -5.974 5.660) 9.554 15.491 ( 5.768 -2.030 -7.208) 9.452 15.692 ( -0.445 2.499 -2.373) 3.475 15.768 ( 2.606 -0.601 2.188) 3.455 15.889 ( -4.217 -0.905 5.525) 7.010 16.009 ( 4.425 -3.184 -7.078) 8.934 16.084 ( -4.677 -4.434 0.445) 6.460 16.192 ( 1.779 -4.048 3.672) 5.747 16.326 ( -4.773 -1.926 0.688) 5.193 16.462 ( 2.831 -5.486 -3.209) 6.958 16.677 ( -3.746 0.574 -4.767) 6.090 16.825 ( 1.897 0.821 6.443) 6.767 17.275 ( -10.824 -3.144 -6.880) 13.205 17.458 ( -1.037 -5.578 10.831) 12.227 17.765 ( -3.740 -0.075 -4.531) 5.875 17.838 ( -2.028 -6.200 7.437) 9.893 18.014 ( -3.748 -9.950 1.373) 10.721 18.172 ( 7.816 -7.627 -0.047) 10.921 18.706 ( -3.825 5.290 3.249) 7.292 18.764 ( -1.371 0.806 -1.818) 2.416 18.897 ( 0.222 10.801 -2.639) 11.121 18.986 ( 5.392 7.084 3.839) 9.695 19.459 ( 0.839 -1.364 -0.430) 1.658 19.497 ( 2.781 -1.343 1.536) 3.449 20.141 ( -9.024 -9.480 -7.354) 15.013 20.327 ( 3.119 -11.493 2.338) 12.136 20.861 ( -9.618 3.197 -13.608) 16.968 21.079 ( -11.349 0.884 -8.268) 14.069 21.164 ( 6.321 3.836 7.009) 10.188 21.637 ( 19.062 -11.316 9.675) 24.187 23.801 ( -3.232 4.196 -0.446) 5.315 23.940 ( 5.927 -1.274 -1.265) 6.193 24.462 ( -5.491 0.886 2.357) 6.040 24.659 ( 5.741 2.787 -4.636) 7.888 24.822 ( -4.408 2.385 -8.006) 9.446 24.975 ( -2.101 4.270 0.514) 4.787 25.065 ( 1.939 2.290 -10.847) 11.255 25.226 ( 4.466 1.533 13.717) 14.507 25.528 ( -3.374 4.142 -0.906) 5.419 25.715 ( 5.000 0.732 3.678) 6.250 26.301 ( -5.619 2.102 -1.654) 6.223 26.484 ( 0.243 1.717 6.914) 7.128 27.200 ( 3.522 6.658 0.415) 7.544 27.296 ( 10.840 12.709 -1.189) 16.746 27.920 ( -5.528 0.290 -14.927) 15.920 28.168 ( 5.483 2.233 16.151) 17.202 28.874 ( -5.039 -2.278 -12.037) 13.246 29.044 ( 2.746 -6.338 10.372) 12.461 29.432 ( -3.695 4.872 -3.279) 6.938 29.531 ( 2.187 3.477 5.242) 6.660 29.828 ( -0.729 1.220 1.625) 2.159 29.866 ( 2.845 2.143 -3.731) 5.158 30.426 ( -6.344 -5.765 1.407) 8.687 30.563 ( 0.878 -5.224 -0.032) 5.297 31.477 ( -7.321 3.131 2.183) 8.257 31.659 ( 2.238 3.161 -3.749) 5.391 31.863 ( -2.296 -7.073 0.894) 7.490 31.946 ( 3.285 -5.536 -1.655) 6.647 32.150 ( -3.065 -0.294 1.706) 3.520 32.225 ( 1.025 -0.223 -0.290) 1.088 32.643 ( 2.707 1.478 -1.671) 3.508 32.716 ( 7.275 -4.479 2.448) 8.887 33.272 ( -6.419 1.582 1.177) 6.715 33.530 ( 11.224 6.546 -0.845) 13.021 33.788 ( -3.190 2.023 -1.047) 3.920 33.844 ( 0.460 -0.081 1.524) 1.594 34.073 ( -2.228 2.786 -1.930) 4.055 34.134 ( 1.515 1.548 -1.421) 2.590 34.662 ( -1.930 -4.639 0.435) 5.043 34.684 ( 0.223 -2.724 -0.758) 2.836 35.197 ( -5.520 10.392 -0.583) 11.782 35.275 ( -0.169 9.994 -1.508) 10.109 35.992 ( -8.243 0.038 3.104) 8.808 36.232 ( 8.096 -0.729 -2.699) 8.565 90.975 ( -0.882 2.080 -0.249) 2.272 91.013 ( 1.572 2.057 0.066) 2.590 91.546 ( -1.089 -3.607 5.781) 6.900 91.562 ( 0.959 -3.158 -1.777) 3.748 93.651 ( -0.428 4.091 -0.841) 4.198 93.670 ( 0.592 4.420 0.645) 4.506 94.254 ( -3.004 -1.122 5.335) 6.224 94.366 ( 6.615 -1.732 -5.110) 8.536 94.928 ( -2.108 0.030 -3.379) 3.982 95.009 ( 2.288 -1.235 6.738) 7.223 96.231 ( -28.610 -17.806 -2.855) 33.819 97.040 ( 23.383 -28.980 2.582) 37.327 97.910 ( -0.833 0.564 -0.881) 1.337 97.961 ( 2.365 -0.072 1.608) 2.861 98.810 ( -3.936 14.137 0.297) 14.678 99.064 ( 12.099 6.914 -1.183) 13.986 102.421 ( -0.320 1.330 -0.504) 1.458 102.432 ( 0.304 1.353 0.546) 1.490 102.772 ( -4.003 3.520 -0.164) 5.333 102.895 ( 3.897 2.532 -0.203) 4.651 107.588 ( -0.144 0.131 -0.730) 0.756 107.593 ( -0.010 0.069 0.629) 0.633 107.848 ( -1.795 -3.310 0.050) 3.765 107.866 ( -0.670 -3.407 0.005) 3.472 ======================= Grid point 209 (101/126) ======================= q-point: (-0.25 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( -10.837 26.305 40.844) 49.776 1.973 ( -22.485 25.822 0.431) 34.243 2.679 ( -14.762 20.835 -2.324) 25.640 3.317 ( 35.041 16.837 8.874) 39.876 3.893 ( -18.769 54.205 -3.449) 57.466 3.922 ( -40.838 50.374 0.657) 64.852 4.427 ( 11.150 29.439 3.813) 31.710 4.633 ( 25.248 28.839 -1.925) 38.378 5.371 ( 22.488 -11.155 -2.895) 25.269 5.698 ( 1.566 1.236 -9.512) 9.719 5.786 ( 14.588 3.724 -2.239) 15.222 6.015 ( -20.999 -7.873 2.994) 22.626 6.254 ( 19.697 -2.719 -8.806) 21.746 6.650 ( -10.252 -7.371 -7.662) 14.769 6.860 ( 3.850 -8.995 1.486) 9.897 6.991 ( 3.186 -10.157 1.865) 10.807 7.087 ( 3.951 -14.854 -0.689) 15.386 7.345 ( 2.376 -2.189 -0.976) 3.375 7.494 ( 2.768 -1.818 1.677) 3.712 7.618 ( 5.330 -0.954 -4.311) 6.922 7.905 ( 5.105 0.290 -1.002) 5.211 7.931 ( -0.087 -2.195 -2.212) 3.118 8.046 ( -0.431 -2.205 0.897) 2.419 8.226 ( -3.227 -4.203 0.864) 5.368 8.270 ( 4.182 1.575 6.872) 8.197 8.424 ( -25.483 -12.656 -0.226) 28.454 8.556 ( -6.937 -5.454 0.398) 8.833 8.634 ( -8.572 -12.200 -2.696) 15.152 8.743 ( 1.941 6.551 -0.665) 6.864 8.862 ( -13.687 -9.634 -2.023) 16.859 9.112 ( -4.299 -4.847 -5.977) 8.815 9.295 ( -1.540 -8.311 6.523) 10.677 9.522 ( 1.730 -1.961 -2.769) 3.809 9.742 ( -0.598 -5.087 6.325) 8.138 10.328 ( 0.882 -4.701 1.360) 4.973 10.343 ( 6.758 4.759 -1.651) 8.429 10.494 ( -0.245 -3.616 2.050) 4.163 10.727 ( 7.347 -4.436 1.633) 8.736 10.800 ( -1.526 0.773 1.444) 2.239 10.892 ( -1.185 3.281 -2.254) 4.153 11.021 ( 8.505 -6.444 -0.624) 10.689 11.231 ( -2.640 8.447 6.820) 11.173 11.336 ( -2.917 5.699 -0.101) 6.403 11.406 ( -5.240 11.326 3.684) 13.012 11.483 ( 4.430 -10.033 -5.442) 12.244 11.535 ( -3.014 -1.277 -0.931) 3.403 11.619 ( 1.323 -13.056 -2.555) 13.370 11.715 ( -6.653 -5.763 2.119) 9.053 11.806 ( -3.924 -6.241 3.920) 8.349 11.986 ( -1.864 2.211 -0.658) 2.966 12.074 ( 4.475 -0.980 -0.786) 4.648 12.124 ( -2.081 -14.427 -2.248) 14.749 12.255 ( -2.712 2.707 2.024) 4.334 12.551 ( 0.355 -3.164 -2.927) 4.324 12.706 ( 12.053 4.805 -0.927) 13.008 12.876 ( 7.498 8.885 1.432) 11.714 12.927 ( 12.712 2.697 3.911) 13.571 13.170 ( -1.810 13.923 1.973) 14.178 13.228 ( -0.525 10.730 -7.421) 13.056 13.313 ( -3.927 10.476 -3.151) 11.624 13.641 ( -3.796 2.511 2.682) 5.283 13.801 ( -8.646 5.030 -0.883) 10.042 14.139 ( -6.881 10.350 -3.607) 12.941 14.267 ( 16.036 -2.207 -6.736) 17.533 14.573 ( 0.600 -3.530 -2.510) 4.373 14.692 ( -0.170 16.809 1.784) 16.904 14.828 ( 4.633 -2.080 1.310) 5.244 14.870 ( 1.889 1.136 -0.189) 2.212 15.117 ( 4.308 -0.370 2.752) 5.125 15.215 ( 0.256 -2.168 -1.786) 2.820 15.351 ( -1.013 -3.520 2.598) 4.490 15.482 ( 4.941 -3.264 -6.287) 8.637 15.679 ( 0.171 6.268 0.281) 6.277 15.772 ( 3.465 -2.015 -2.927) 4.963 15.866 ( -4.344 0.103 -3.168) 5.378 15.977 ( 1.082 -3.314 1.001) 3.627 16.141 ( 2.309 -4.459 3.849) 6.327 16.252 ( -0.513 -1.698 3.243) 3.696 16.285 ( -2.260 -3.656 2.043) 4.759 16.423 ( -3.022 -7.580 1.549) 8.306 16.662 ( 0.125 1.038 3.767) 3.909 16.862 ( -5.057 2.737 4.459) 7.277 17.019 ( -10.428 -3.074 -6.815) 12.831 17.497 ( -7.842 -7.444 3.358) 11.322 17.696 ( -1.554 -2.190 -0.916) 2.837 17.932 ( -3.194 -5.244 2.953) 6.813 18.021 ( -2.832 -12.160 14.522) 19.152 18.268 ( 5.657 -5.655 -1.193) 8.087 18.676 ( -4.134 5.727 1.012) 7.136 18.691 ( -5.003 -0.385 -2.000) 5.402 18.868 ( 1.655 10.666 -4.221) 11.589 19.226 ( 15.090 1.377 7.926) 17.100 19.515 ( 4.206 -0.590 5.961) 7.320 19.556 ( 2.694 -0.160 0.475) 2.741 19.815 ( -16.718 -1.709 -11.514) 20.371 20.369 ( -0.009 -11.925 1.078) 11.974 20.613 ( -3.046 -0.437 -7.305) 7.927 20.870 ( -1.444 7.400 -7.873) 10.901 21.294 ( 1.693 4.789 1.576) 5.319 21.905 ( 10.630 -14.499 -2.949) 18.219 23.768 ( -0.755 4.783 0.053) 4.843 23.995 ( 6.264 -4.597 -3.277) 8.432 24.371 ( -5.808 8.947 -18.399) 21.268 24.434 ( -0.685 1.115 -5.361) 5.519 24.854 ( 4.564 0.251 4.605) 6.488 24.971 ( 6.246 0.399 -9.458) 11.341 25.013 ( -3.626 3.850 8.336) 9.872 25.363 ( -3.906 2.799 4.057) 6.289 25.598 ( 3.885 6.554 1.100) 7.698 25.801 ( -1.301 -6.579 14.522) 15.996 26.359 ( 5.272 4.275 9.849) 11.961 26.487 ( -7.648 7.408 1.951) 10.825 27.259 ( 4.754 0.034 -3.089) 5.669 27.516 ( 11.206 4.589 7.255) 14.117 27.736 ( 4.784 7.236 -10.200) 13.390 28.277 ( -2.333 3.989 -6.093) 7.647 28.787 ( 1.502 0.485 7.087) 7.261 29.135 ( -2.198 -5.934 2.131) 6.677 29.361 ( -2.602 4.678 0.383) 5.367 29.626 ( 0.583 -0.139 5.134) 5.169 29.820 ( -0.562 1.051 -2.642) 2.899 29.855 ( 3.506 2.523 -2.876) 5.189 30.370 ( -4.922 -5.496 1.751) 7.582 30.495 ( -8.541 -3.839 -3.223) 9.904 31.453 ( -0.097 1.476 3.175) 3.503 31.628 ( 1.095 3.491 -2.802) 4.608 31.787 ( -7.470 -3.692 -1.115) 8.407 31.969 ( 2.178 -6.536 -1.512) 7.053 32.162 ( 2.166 -1.862 1.283) 3.131 32.250 ( 0.693 -1.442 1.855) 2.450 32.696 ( 5.823 3.985 0.150) 7.058 32.856 ( 8.375 -5.200 1.049) 9.913 33.203 ( -5.874 -0.869 1.168) 6.052 33.638 ( -8.128 2.581 -7.145) 11.125 33.697 ( 11.959 5.350 -3.386) 13.531 33.870 ( -0.717 1.159 2.243) 2.624 34.011 ( -1.700 3.936 -1.898) 4.689 34.130 ( -0.178 3.484 -0.669) 3.552 34.636 ( -1.063 -3.375 -0.248) 3.547 34.678 ( 1.418 -1.479 -1.514) 2.547 35.079 ( -8.435 11.877 -1.807) 14.679 35.218 ( -3.510 11.013 -3.032) 11.950 35.937 ( -5.440 -0.180 4.432) 7.019 36.289 ( 6.169 -1.180 -4.846) 7.933 90.961 ( -0.275 2.208 -0.610) 2.307 91.035 ( 1.120 1.874 0.027) 2.184 91.592 ( 1.235 -3.327 3.668) 5.104 91.670 ( 0.624 -7.739 12.818) 14.986 93.637 ( -0.125 3.872 -0.662) 3.931 93.680 ( 0.111 4.703 0.001) 4.704 94.289 ( -2.139 -1.272 5.971) 6.468 94.451 ( 9.784 -3.104 -0.647) 10.284 94.882 ( -2.945 -2.728 3.220) 5.146 95.270 ( 5.241 -7.440 23.088) 24.816 95.817 ( -20.840 -10.811 -0.752) 23.489 97.313 ( 13.419 -32.977 -2.330) 35.679 97.901 ( 0.426 2.018 0.296) 2.084 98.028 ( 3.043 -1.716 2.149) 4.101 98.805 ( 4.256 14.565 -0.328) 15.177 99.215 ( 10.222 0.938 -1.424) 10.363 102.412 ( -0.144 1.358 -0.262) 1.390 102.442 ( 0.151 1.345 0.391) 1.409 102.723 ( -2.225 4.685 -0.092) 5.187 102.932 ( 2.164 2.435 -1.250) 3.489 107.578 ( -0.011 0.186 -0.612) 0.640 107.598 ( -0.237 0.001 0.414) 0.477 107.815 ( -2.758 -2.808 0.028) 3.936 107.845 ( -1.663 -2.714 -0.513) 3.224 ======================= Grid point 210 (102/126) ======================= q-point: (-0.12 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 4.685 40.286 2.028) 40.608 2.268 ( -0.591 18.411 53.718) 56.789 2.507 ( -4.137 31.906 -3.462) 32.358 3.330 ( -34.646 57.686 2.770) 67.347 3.426 ( -24.052 59.572 -4.998) 64.438 3.943 ( 25.273 10.954 5.509) 28.090 4.685 ( 12.551 36.581 0.779) 38.682 4.829 ( 7.120 39.769 -3.470) 40.551 5.427 ( 4.041 -4.539 -18.527) 19.498 5.624 ( -12.171 1.779 5.364) 13.419 5.917 ( 13.760 -1.134 -6.800) 15.390 6.073 ( 25.966 -15.898 0.947) 30.461 6.257 ( -10.190 1.108 -10.084) 14.378 6.566 ( 23.965 -18.015 -7.589) 30.927 6.958 ( -0.192 -13.467 7.442) 15.388 7.094 ( 7.494 -9.581 0.779) 12.189 7.159 ( 5.853 -10.479 -1.089) 12.052 7.237 ( -13.682 -9.039 0.669) 16.412 7.536 ( -10.825 -6.793 -3.788) 13.330 7.568 ( 4.213 -3.754 -1.273) 5.784 7.741 ( -15.423 -13.070 -3.845) 20.578 7.821 ( -9.073 -17.273 1.746) 19.589 7.927 ( -24.676 -20.452 -5.622) 32.539 8.113 ( 1.068 -3.044 -0.429) 3.254 8.318 ( 6.536 -0.408 3.658) 7.501 8.415 ( -1.516 -4.273 2.860) 5.361 8.485 ( -1.003 7.950 3.453) 8.726 8.538 ( 0.214 -4.516 -0.986) 4.628 8.769 ( 1.265 -0.495 -1.338) 1.907 8.890 ( 14.555 10.188 -0.701) 17.780 9.000 ( -2.769 -3.842 -3.617) 5.959 9.290 ( -6.588 -2.359 2.472) 7.422 9.585 ( 6.499 -1.810 1.537) 6.920 9.770 ( -4.242 -3.284 3.276) 6.286 10.325 ( -3.343 6.971 1.803) 7.939 10.388 ( 2.627 4.999 -1.123) 5.758 10.483 ( -4.142 -3.568 4.599) 7.144 10.684 ( -5.753 -4.518 -3.625) 8.164 10.830 ( 1.311 -1.019 4.710) 4.994 10.894 ( -3.585 7.645 3.524) 9.150 11.118 ( 5.801 -5.038 -3.551) 8.464 11.160 ( -4.087 8.178 -3.044) 9.636 11.346 ( 0.792 6.317 0.036) 6.367 11.438 ( 0.491 16.540 -3.262) 16.866 11.508 ( 1.728 -0.734 4.772) 5.128 11.582 ( 5.994 -7.035 1.584) 9.377 11.645 ( -0.697 -5.745 4.511) 7.338 11.715 ( 3.298 -11.761 2.448) 12.458 11.734 ( -1.251 -5.396 -0.602) 5.571 11.980 ( -0.544 -1.443 0.468) 1.612 12.097 ( 1.181 -5.633 0.011) 5.755 12.141 ( 0.702 -18.847 2.728) 19.056 12.269 ( 0.250 -2.380 1.151) 2.655 12.484 ( -1.925 -11.045 -4.649) 12.137 12.813 ( 4.939 3.760 -2.713) 6.774 12.889 ( -1.753 5.319 -3.681) 6.702 13.085 ( -1.570 9.633 0.372) 9.767 13.146 ( -1.445 11.367 -3.522) 11.988 13.229 ( 10.398 9.387 -3.402) 14.416 13.286 ( 7.348 5.918 4.897) 10.630 13.604 ( -7.229 7.279 -1.744) 10.406 13.688 ( -4.534 2.696 1.236) 5.418 14.013 ( -2.419 11.219 -2.672) 11.784 14.369 ( 4.076 -3.849 -6.774) 8.793 14.535 ( -0.789 3.283 0.271) 3.387 14.680 ( 1.461 8.055 -4.207) 9.205 14.855 ( 0.574 0.430 -2.370) 2.477 14.899 ( 4.211 -0.570 -0.647) 4.299 15.180 ( 0.521 -5.786 -1.909) 6.116 15.254 ( 0.871 -0.950 5.935) 6.074 15.355 ( 4.234 0.915 -2.345) 4.926 15.472 ( -1.582 -2.988 0.412) 3.406 15.697 ( 1.662 6.939 -2.433) 7.539 15.783 ( -0.741 0.289 1.676) 1.855 15.848 ( 8.978 -0.502 -2.564) 9.351 15.963 ( -4.770 0.114 -1.408) 4.975 16.153 ( 0.853 -4.481 -0.217) 4.566 16.244 ( -0.684 -3.569 -1.607) 3.974 16.359 ( -0.001 -7.646 7.888) 10.986 16.419 ( -6.412 0.796 4.016) 7.607 16.702 ( -0.801 -1.803 5.439) 5.786 16.860 ( -4.215 -0.663 1.128) 4.414 16.901 ( 2.583 0.106 4.289) 5.008 17.341 ( -15.895 -5.637 0.149) 16.866 17.677 ( -0.089 -4.046 -0.134) 4.050 17.874 ( -1.802 -5.659 -2.623) 6.493 18.152 ( -4.669 -5.329 11.025) 13.105 18.290 ( 1.950 -1.486 -3.858) 4.571 18.581 ( -4.874 1.638 -2.361) 5.658 18.624 ( -2.798 4.863 -1.551) 5.821 18.845 ( 2.629 10.175 -3.498) 11.076 19.220 ( -11.280 6.645 -12.844) 18.340 19.525 ( 1.463 -0.446 0.043) 1.530 19.593 ( -0.583 -1.678 1.190) 2.138 19.975 ( 17.376 -14.963 21.053) 31.129 20.372 ( -0.769 -12.286 0.731) 12.332 20.604 ( 6.744 -2.318 2.684) 7.619 20.835 ( 4.490 7.572 -1.586) 8.944 21.257 ( -3.097 5.264 -4.471) 7.569 21.859 ( -1.168 -15.660 -14.343) 21.268 23.772 ( -0.033 4.481 1.046) 4.602 24.015 ( 2.848 -3.106 -9.944) 10.800 24.137 ( 1.336 4.009 -4.485) 6.162 24.381 ( -0.316 -1.780 -4.551) 4.897 24.939 ( 5.956 0.189 -1.509) 6.147 25.053 ( 3.257 -2.943 1.317) 4.583 25.074 ( 0.829 7.314 9.491) 12.011 25.357 ( -1.852 4.409 3.659) 6.022 25.579 ( 1.621 1.233 -1.816) 2.728 26.024 ( 0.543 -0.754 12.749) 12.783 26.363 ( -6.607 8.535 -0.848) 10.827 26.627 ( 2.366 3.955 19.508) 20.045 27.177 ( -1.278 -7.660 -13.165) 15.285 27.633 ( 5.078 -1.711 -4.246) 6.836 27.887 ( 13.286 11.306 3.748) 17.844 28.122 ( -3.191 6.111 -6.176) 9.256 28.961 ( 4.315 2.136 8.633) 9.885 29.058 ( -7.135 1.712 -0.382) 7.348 29.389 ( 3.017 0.596 3.220) 4.453 29.655 ( -2.700 -2.902 2.887) 4.903 29.755 ( 1.561 1.205 -7.856) 8.099 29.907 ( 2.640 2.566 1.845) 4.118 30.248 ( -12.897 -0.211 -7.271) 14.807 30.303 ( -5.971 -2.780 -1.367) 6.727 31.505 ( 2.600 -0.907 0.237) 2.764 31.654 ( -7.498 -1.026 -0.312) 7.575 31.672 ( 4.538 2.072 2.439) 5.553 31.952 ( -1.317 -7.358 -2.547) 7.897 32.226 ( 3.383 -3.082 2.101) 5.035 32.289 ( 1.178 -0.679 1.658) 2.144 32.812 ( 7.565 4.906 2.397) 9.330 32.971 ( 6.919 -4.977 -0.569) 8.542 33.118 ( -6.792 -1.774 0.016) 7.020 33.344 ( -11.107 6.070 -11.648) 17.201 33.843 ( 10.151 3.885 -1.369) 10.955 33.875 ( -2.868 2.833 2.880) 4.954 33.987 ( 0.497 4.241 -0.635) 4.317 34.113 ( -1.389 5.171 -0.636) 5.392 34.636 ( 0.664 -2.739 0.716) 2.908 34.703 ( 4.589 -1.809 -1.523) 5.163 34.930 ( -8.577 15.410 -0.658) 17.649 35.108 ( -4.497 12.692 -4.607) 14.231 35.953 ( -2.623 -0.861 7.156) 7.670 36.285 ( 3.715 -1.615 -7.100) 8.174 90.958 ( 0.440 2.326 0.152) 2.372 91.037 ( -0.184 1.862 -0.913) 2.082 91.677 ( 1.563 -4.364 6.144) 7.696 91.819 ( 0.155 -10.771 7.478) 13.114 93.631 ( 0.308 3.959 -0.307) 3.983 93.671 ( -0.731 4.771 -0.629) 4.868 94.346 ( -1.633 -1.661 7.259) 7.624 94.575 ( 9.588 -4.661 -4.159) 11.443 94.908 ( -3.679 -4.336 7.751) 9.613 95.314 ( -11.416 -8.741 -5.352) 15.342 96.072 ( 13.136 -28.145 41.359) 51.723 97.367 ( 3.127 -33.874 -7.488) 34.833 97.927 ( 0.712 2.524 2.209) 3.429 98.076 ( 1.150 -2.338 -0.341) 2.628 98.942 ( 12.312 7.611 2.330) 14.660 99.294 ( 2.720 -4.764 -1.862) 5.793 102.411 ( 0.228 1.361 0.077) 1.382 102.442 ( -0.468 1.245 -0.080) 1.333 102.720 ( 1.258 5.854 1.048) 6.078 102.916 ( -0.881 3.123 -2.903) 4.354 107.574 ( 0.368 0.186 -0.307) 0.514 107.595 ( -0.654 -0.064 0.069) 0.660 107.776 ( -2.791 -1.489 0.728) 3.246 107.814 ( -0.974 -1.491 -1.026) 2.056 ======================= Grid point 211 (103/126) ======================= q-point: ( 0.00 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.886 ( -2.076 35.505 10.651) 37.126 3.033 ( 1.655 39.384 -4.924) 39.725 3.405 ( 4.021 24.492 37.504) 44.974 4.096 ( -6.005 30.967 -12.709) 34.008 4.290 ( 4.993 40.098 -5.459) 40.774 4.343 ( 5.040 38.810 -8.539) 40.057 5.109 ( -15.689 -7.547 4.473) 17.975 5.212 ( 9.490 1.234 -10.100) 13.913 5.741 ( -2.362 30.313 9.095) 31.736 5.920 ( -1.579 27.837 -0.143) 27.882 5.978 ( -21.405 13.715 0.060) 25.422 6.134 ( 17.192 -1.023 -7.412) 18.749 6.163 ( 22.459 -13.264 2.675) 26.221 6.330 ( -14.709 -14.991 -11.425) 23.908 6.570 ( 1.546 -27.404 1.973) 27.518 6.625 ( -1.254 -27.170 -3.502) 27.423 6.901 ( -2.262 -5.491 8.055) 10.007 7.030 ( -0.795 -9.803 -2.933) 10.263 7.047 ( 7.791 -8.868 2.414) 12.049 7.153 ( -2.528 -4.244 -5.257) 7.213 7.533 ( -8.009 -10.769 9.909) 16.683 7.622 ( 1.180 -1.559 3.909) 4.371 7.732 ( 7.697 2.240 -7.723) 11.131 7.842 ( -3.754 -3.835 -12.109) 13.245 8.352 ( -2.456 -0.692 2.121) 3.318 8.403 ( 2.067 -0.543 -2.673) 3.422 8.518 ( 1.869 -1.484 4.448) 5.048 8.571 ( -2.937 -2.145 -0.558) 3.680 8.872 ( -2.715 -0.210 -0.506) 2.769 8.889 ( 3.290 0.312 -1.585) 3.665 9.186 ( -4.522 1.157 5.116) 6.926 9.265 ( 5.360 2.912 -1.637) 6.316 9.672 ( -1.253 -1.582 1.648) 2.606 9.682 ( 1.292 -2.959 0.919) 3.358 10.085 ( -1.218 -30.570 1.675) 30.640 10.121 ( 2.508 -28.888 -1.532) 29.037 10.592 ( 3.054 11.176 1.729) 11.714 10.629 ( -3.172 9.289 -1.365) 9.910 10.938 ( 2.376 -1.838 4.880) 5.730 11.001 ( -3.082 -1.271 2.110) 3.945 11.107 ( 6.341 3.407 -1.499) 7.353 11.162 ( -6.153 2.865 -3.823) 7.790 11.242 ( 1.923 -12.994 -0.187) 13.137 11.273 ( -0.044 -11.057 -2.704) 11.383 11.440 ( -7.630 -8.643 1.907) 11.686 11.468 ( 3.826 -6.556 -0.907) 7.644 11.690 ( 1.157 3.760 7.560) 8.522 11.776 ( -3.032 2.068 -0.359) 3.687 11.926 ( 3.152 -3.074 8.183) 9.292 12.022 ( 9.454 1.271 -1.014) 9.593 12.061 ( -8.511 11.788 2.451) 14.744 12.128 ( 2.978 7.386 -4.322) 9.061 12.208 ( 1.972 3.603 -0.526) 4.141 12.266 ( -2.610 -0.205 -4.213) 4.960 12.808 ( -2.453 0.893 -1.994) 3.285 12.837 ( -1.586 -0.510 -3.007) 3.437 13.220 ( -3.552 8.459 -0.247) 9.178 13.242 ( 2.466 5.169 -1.553) 5.934 13.484 ( -4.817 2.744 1.578) 5.764 13.535 ( 8.168 5.454 -3.904) 10.569 13.800 ( -4.833 12.752 1.472) 13.717 13.813 ( 5.428 17.054 0.974) 17.923 14.153 ( -1.272 3.405 0.010) 3.635 14.237 ( 1.474 -1.674 -6.633) 6.998 14.602 ( 3.789 2.522 2.024) 4.982 14.692 ( -6.034 4.192 -6.458) 9.782 14.832 ( -4.593 -0.921 2.930) 5.525 14.899 ( 5.240 -0.485 -3.056) 6.086 15.119 ( -4.784 -1.568 3.702) 6.249 15.194 ( 2.732 -2.234 -3.229) 4.784 15.398 ( -8.213 -0.826 5.263) 9.790 15.490 ( 6.935 -0.394 -0.388) 6.957 15.691 ( -0.190 -2.222 0.565) 2.300 15.827 ( 0.617 -5.244 -6.248) 8.181 15.874 ( 0.661 -2.255 0.301) 2.370 15.909 ( 3.048 -2.270 -1.608) 4.127 16.098 ( 4.041 -2.382 6.110) 7.703 16.210 ( -0.485 -0.997 -3.094) 3.287 16.338 ( -3.211 -1.858 3.754) 5.278 16.388 ( 1.764 0.250 -1.246) 2.175 16.736 ( -4.290 -1.914 3.306) 5.744 16.768 ( 1.178 -0.860 0.212) 1.474 17.004 ( 7.289 -3.340 3.824) 8.883 17.076 ( -7.070 -1.816 -2.093) 7.593 17.606 ( -1.024 -4.476 5.425) 7.108 17.723 ( 2.291 -6.184 -3.021) 7.253 18.070 ( -3.242 -9.156 8.898) 13.172 18.201 ( 1.795 -7.716 -3.706) 8.745 18.651 ( 0.589 7.812 1.167) 7.921 18.694 ( -1.559 7.712 -2.436) 8.236 19.052 ( 4.508 7.438 -0.311) 8.703 19.102 ( -7.210 6.097 -5.383) 10.869 19.517 ( 2.186 -3.658 1.062) 4.391 19.537 ( -2.274 -2.663 -0.845) 3.602 20.008 ( 3.744 -10.720 7.359) 13.531 20.088 ( -0.630 -11.998 -0.694) 12.035 20.788 ( 8.757 -2.609 7.420) 11.771 20.970 ( -0.983 0.001 -7.135) 7.203 21.210 ( -1.620 0.417 -2.242) 2.798 21.304 ( -6.265 -5.273 -10.672) 13.452 23.826 ( -1.555 0.776 1.753) 2.469 23.902 ( 2.082 -0.570 -4.536) 5.024 24.225 ( -0.208 5.599 0.470) 5.623 24.321 ( -0.052 3.907 -7.563) 8.513 24.960 ( -6.779 -2.749 1.346) 7.438 24.976 ( 4.727 -2.430 -0.417) 5.332 25.311 ( 6.145 2.901 3.415) 7.605 25.400 ( -4.182 2.386 -5.227) 7.106 25.878 ( 10.521 5.929 18.912) 22.439 26.115 ( -5.540 2.896 -0.089) 6.252 26.497 ( -0.896 8.063 3.547) 8.854 26.653 ( -8.645 2.737 -8.517) 12.440 27.159 ( 6.288 0.664 15.036) 16.312 27.540 ( 1.846 -2.765 -14.503) 14.879 28.135 ( 0.591 4.168 1.285) 4.401 28.167 ( -2.539 4.869 -2.058) 5.864 29.044 ( -6.765 2.424 7.799) 10.605 29.162 ( 6.936 2.303 0.673) 7.339 29.480 ( -0.419 -0.463 2.202) 2.289 29.609 ( -0.158 -1.073 -6.125) 6.220 29.725 ( 2.117 -0.123 6.166) 6.521 29.893 ( -2.171 1.473 -5.167) 5.795 30.081 ( -0.519 -4.426 0.536) 4.489 30.165 ( 0.350 -2.982 -5.014) 5.844 31.534 ( -0.773 -0.514 3.076) 3.213 31.586 ( -0.277 0.973 -1.091) 1.488 31.704 ( -0.437 -5.570 1.649) 5.825 31.764 ( 1.016 -4.035 -3.680) 5.555 32.263 ( 0.903 -0.746 2.870) 3.099 32.298 ( -0.109 0.926 -0.387) 1.010 32.860 ( -1.155 -8.452 0.987) 8.588 32.890 ( 1.538 -7.915 -1.665) 8.234 33.200 ( -2.481 14.979 5.469) 16.139 33.355 ( 1.153 13.518 -9.124) 16.349 33.913 ( -3.153 1.699 3.182) 4.791 33.968 ( 2.687 0.684 -1.831) 3.323 34.117 ( 2.822 4.455 2.086) 5.671 34.165 ( -1.764 4.406 -2.225) 5.241 34.572 ( -2.108 -4.971 2.636) 6.009 34.628 ( 2.416 -5.701 -2.536) 6.691 35.235 ( -1.078 16.641 1.975) 16.792 35.305 ( 1.494 15.188 -4.513) 15.915 35.986 ( -1.897 -2.774 7.917) 8.601 36.163 ( 1.394 -4.128 -8.230) 9.313 91.041 ( 0.467 4.243 1.382) 4.487 91.072 ( -0.574 4.042 -1.402) 4.317 91.641 ( 1.200 -7.766 3.468) 8.589 91.662 ( -0.966 -9.678 2.271) 9.988 93.751 ( 1.167 6.752 0.651) 6.883 93.767 ( -1.132 7.261 -0.911) 7.404 94.345 ( -3.560 -4.427 7.363) 9.300 94.494 ( 4.300 -5.980 -6.128) 9.581 94.885 ( 1.281 -4.035 5.552) 6.981 95.017 ( -1.505 -5.706 -6.088) 8.479 96.045 ( 2.397 -25.637 25.260) 36.070 96.486 ( -2.131 -34.305 -15.800) 37.829 98.019 ( -0.140 2.431 2.790) 3.703 98.067 ( -0.064 1.053 -1.264) 1.647 99.147 ( -1.306 2.712 2.361) 3.826 99.212 ( 1.422 0.331 -3.322) 3.629 102.449 ( 0.541 1.352 0.317) 1.490 102.456 ( -0.571 1.242 -0.327) 1.406 102.865 ( 0.392 3.728 2.126) 4.309 102.916 ( -0.312 2.308 -2.575) 3.472 107.583 ( 0.127 0.117 0.077) 0.189 107.585 ( -0.182 0.100 -0.147) 0.255 107.752 ( -0.317 -0.588 0.931) 1.147 107.772 ( 0.310 -1.066 -0.915) 1.439 ======================= Grid point 212 (104/126) ======================= q-point: ( 0.12 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( -21.894 33.043 -0.712) 39.645 3.104 ( -3.817 36.745 2.672) 37.039 3.696 ( 1.206 16.966 -39.607) 43.104 3.881 ( -3.906 13.010 24.400) 27.926 4.401 ( 21.776 48.996 1.316) 53.634 4.594 ( 24.861 44.891 -0.489) 51.318 4.901 ( -18.116 -6.207 8.178) 20.823 5.160 ( -15.954 6.351 -0.002) 17.172 5.540 ( -35.319 0.899 -3.134) 35.469 5.708 ( -8.175 -3.068 2.783) 9.165 5.732 ( -22.531 5.806 8.994) 24.945 5.972 ( -0.875 24.203 -4.095) 24.562 6.221 ( 2.876 11.328 1.965) 11.851 6.337 ( 7.978 -0.423 -5.633) 9.775 6.814 ( 15.053 -19.541 0.622) 24.675 6.911 ( -1.513 -8.056 1.468) 8.327 6.962 ( -0.427 -5.310 -4.854) 7.207 7.112 ( 32.931 -21.552 -3.015) 39.472 7.129 ( 13.318 -1.695 0.354) 13.430 7.272 ( 22.991 -18.824 2.813) 29.847 7.463 ( -9.973 -8.331 7.140) 14.827 7.680 ( 2.138 -1.799 -4.961) 5.694 7.776 ( 8.590 1.845 -3.636) 9.508 7.859 ( 11.109 -5.197 7.245) 14.244 8.319 ( -2.977 -0.189 1.629) 3.399 8.399 ( -1.660 -0.075 -1.114) 2.001 8.523 ( -1.361 -0.978 -1.625) 2.334 8.621 ( 4.838 -2.384 2.103) 5.789 8.767 ( -8.371 2.759 0.015) 8.813 8.891 ( -3.805 -3.870 -1.466) 5.622 9.058 ( -13.119 7.461 2.458) 15.292 9.321 ( 2.677 -2.276 -3.138) 4.711 9.594 ( -7.493 0.171 -0.427) 7.507 9.723 ( 1.357 -5.477 -0.261) 5.649 10.065 ( -2.217 -28.722 0.099) 28.808 10.149 ( 3.332 -28.711 -1.721) 28.955 10.537 ( -3.661 -0.048 -0.621) 3.714 10.662 ( -3.584 6.607 0.542) 7.536 10.910 ( -7.646 -6.740 -1.590) 10.315 10.996 ( -1.282 -1.042 2.608) 3.088 11.026 ( -2.699 4.561 -6.592) 8.458 11.145 ( -3.670 -8.469 5.502) 10.745 11.255 ( -6.070 -8.047 1.134) 10.143 11.323 ( 2.494 -7.801 0.687) 8.219 11.337 ( 3.164 -0.259 -1.035) 3.339 11.567 ( 6.539 -5.556 1.425) 8.698 11.679 ( -5.295 1.491 -1.836) 5.799 11.783 ( 1.901 4.360 3.779) 6.075 11.900 ( -8.480 9.178 -4.113) 13.155 11.945 ( 0.118 -8.652 -4.410) 9.712 12.072 ( -0.153 6.698 -0.463) 6.716 12.187 ( 6.335 10.376 0.850) 12.187 12.304 ( 10.831 2.617 -2.968) 11.531 12.341 ( 9.989 5.617 2.431) 11.715 12.779 ( -3.931 -1.910 3.679) 5.713 12.823 ( 0.319 3.586 2.601) 4.442 13.179 ( -0.797 5.717 2.307) 6.216 13.319 ( 5.545 6.587 0.141) 8.611 13.396 ( -5.359 7.948 0.813) 9.620 13.542 ( -3.862 5.543 -4.689) 8.223 13.771 ( 2.080 11.894 0.738) 12.097 13.861 ( 1.261 14.026 -2.254) 14.261 14.130 ( -1.690 3.328 2.551) 4.521 14.215 ( 0.798 -1.658 -1.484) 2.364 14.552 ( -5.456 0.986 -2.230) 5.976 14.713 ( 3.707 4.633 5.643) 8.189 14.803 ( -4.321 -2.438 1.680) 5.238 14.945 ( 5.205 2.864 -1.960) 6.256 15.040 ( -5.767 1.120 3.027) 6.609 15.278 ( 2.428 -2.763 1.130) 3.848 15.304 ( -6.713 -1.931 2.724) 7.498 15.531 ( -4.999 -3.058 -3.823) 6.996 15.632 ( 3.254 -1.161 -0.383) 3.476 15.833 ( -2.437 -0.453 -3.243) 4.082 15.858 ( 1.313 -0.379 2.034) 2.451 15.952 ( 6.069 -8.162 -2.409) 10.452 16.082 ( -4.273 -0.738 -5.316) 6.860 16.215 ( 0.979 -1.711 0.253) 1.988 16.330 ( -0.928 -1.389 1.675) 2.366 16.472 ( 8.476 -1.382 -0.503) 8.603 16.611 ( -9.826 -4.697 2.682) 11.217 16.867 ( 3.981 -0.771 -0.050) 4.055 16.942 ( -2.524 -3.075 -2.234) 4.563 17.222 ( 12.666 -3.754 2.312) 13.412 17.671 ( 0.214 -4.340 5.143) 6.733 17.693 ( 3.006 -4.326 -7.196) 8.919 18.120 ( -3.167 -8.690 5.771) 10.902 18.183 ( 3.300 -9.051 -5.159) 10.928 18.651 ( -0.283 7.773 -0.425) 7.790 18.701 ( 1.938 6.316 2.148) 6.947 18.988 ( -3.640 7.546 0.056) 8.379 19.160 ( 5.796 5.342 4.227) 8.944 19.499 ( -0.772 -2.204 -0.235) 2.347 19.562 ( 1.918 -2.549 0.590) 3.244 20.012 ( -4.011 -9.595 -6.838) 12.446 20.086 ( 0.248 -12.845 1.198) 12.903 20.727 ( -9.642 -1.709 -9.953) 13.962 20.939 ( -1.191 0.504 0.570) 1.413 21.210 ( 2.039 -2.650 3.785) 5.051 21.287 ( 3.277 -2.680 8.705) 9.680 23.828 ( -2.371 0.799 2.428) 3.487 23.878 ( 1.736 0.649 -2.503) 3.114 24.227 ( -1.639 5.343 -0.964) 5.671 24.284 ( 1.773 3.528 2.746) 4.810 24.880 ( -6.424 -1.084 1.903) 6.787 25.025 ( 0.480 -1.831 0.176) 1.901 25.299 ( 0.600 2.076 -4.666) 5.142 25.442 ( 5.890 2.261 2.940) 6.960 25.865 ( -10.205 7.747 -13.753) 18.796 26.157 ( 0.840 0.160 1.812) 2.004 26.545 ( 4.425 11.378 1.124) 12.260 26.652 ( 5.736 0.074 14.931) 15.995 27.246 ( -5.574 -0.546 -21.770) 22.479 27.422 ( 1.946 -0.509 10.385) 10.578 28.092 ( -5.655 5.197 -0.065) 7.681 28.160 ( -1.132 4.754 2.340) 5.419 29.051 ( -5.058 1.834 4.703) 7.146 29.209 ( 5.829 1.790 -7.868) 9.954 29.477 ( -6.100 -0.041 0.018) 6.100 29.532 ( -0.180 -1.645 3.352) 3.738 29.696 ( -1.962 2.320 -1.242) 3.282 29.978 ( 0.827 -2.464 -3.735) 4.551 30.086 ( 9.452 -1.444 5.426) 10.994 30.207 ( 6.505 -5.559 -0.166) 8.558 31.511 ( -2.554 1.124 0.560) 2.846 31.644 ( 5.548 -0.363 0.776) 5.613 31.685 ( -2.413 -3.023 -0.062) 3.868 31.776 ( 3.127 -6.021 -0.655) 6.816 32.234 ( -4.480 0.502 -0.885) 4.594 32.309 ( 0.738 -0.468 -0.620) 1.072 32.793 ( -8.041 -5.555 0.524) 9.787 32.850 ( -4.548 -7.021 -0.590) 8.386 33.290 ( 3.582 11.305 3.978) 12.508 33.338 ( 7.170 12.614 -1.786) 14.619 33.877 ( -5.730 2.523 1.554) 6.451 33.977 ( 1.111 1.767 -1.317) 2.468 34.082 ( -2.983 3.440 -1.524) 4.801 34.213 ( 5.044 4.478 0.230) 6.749 34.546 ( -4.246 -5.094 1.336) 6.765 34.626 ( 0.921 -4.639 -1.617) 4.998 35.271 ( 2.629 14.962 1.125) 15.233 35.319 ( 5.544 14.968 -1.311) 16.015 36.048 ( -2.752 -3.570 3.525) 5.722 36.088 ( 0.986 -3.104 -2.711) 4.237 91.035 ( -1.359 4.424 -0.572) 4.663 91.076 ( 1.107 4.034 0.704) 4.242 91.647 ( -1.127 -8.153 -1.786) 8.422 91.683 ( 0.882 -9.446 0.295) 9.492 93.741 ( -0.859 6.763 -0.649) 6.848 93.780 ( 1.433 7.319 0.628) 7.484 94.358 ( -5.748 -5.317 4.716) 9.140 94.456 ( 1.848 -3.197 -5.588) 6.698 94.953 ( 3.691 -7.535 -7.662) 11.362 95.020 ( 5.985 -6.003 7.609) 11.391 96.164 ( -8.035 -26.259 -18.319) 33.011 96.340 ( -2.232 -32.892 16.255) 36.757 98.032 ( -1.341 2.109 -1.356) 2.843 98.046 ( -0.705 1.762 1.305) 2.303 99.085 ( -6.445 5.477 0.585) 8.479 99.229 ( 1.313 -0.531 -0.522) 1.509 102.445 ( -0.361 1.435 -0.273) 1.505 102.462 ( 0.618 1.129 0.309) 1.324 102.847 ( -2.243 4.330 -0.516) 4.904 102.928 ( 1.858 1.846 0.506) 2.668 107.576 ( -0.426 0.293 0.030) 0.518 107.594 ( 0.691 -0.090 0.048) 0.698 107.763 ( 0.369 -0.881 0.462) 1.062 107.775 ( 1.276 -1.208 -0.440) 1.811 ======================= Grid point 213 (105/126) ======================= q-point: ( 0.25 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( -2.493 18.769 -2.038) 19.043 3.045 ( -4.550 23.319 -2.229) 23.863 3.211 ( 9.050 26.291 -38.835) 47.763 3.770 ( -25.139 4.997 -6.280) 26.389 4.500 ( -30.874 8.150 0.342) 31.934 4.623 ( -37.415 -12.643 9.060) 40.520 5.003 ( 16.237 35.422 1.219) 38.985 5.108 ( 27.182 40.484 -0.138) 48.763 5.216 ( 0.238 17.556 15.312) 23.297 5.656 ( -12.773 10.456 17.475) 24.039 5.771 ( 8.734 -11.617 1.675) 14.630 5.932 ( -0.305 32.631 -1.908) 32.688 6.287 ( 1.980 22.457 2.053) 22.638 6.390 ( 3.763 -13.803 -2.879) 14.594 6.777 ( -7.855 -8.898 -6.078) 13.335 6.808 ( -2.251 -10.279 -0.117) 10.523 7.010 ( 11.025 2.668 -3.883) 11.989 7.290 ( 4.117 1.087 3.805) 5.710 7.387 ( -4.191 -5.885 4.736) 8.638 7.499 ( 11.322 -6.691 -2.325) 13.355 7.700 ( 23.469 -15.322 -0.617) 28.034 7.843 ( 9.498 -0.021 3.322) 10.063 7.966 ( 21.697 -10.422 2.506) 24.201 8.077 ( 11.314 -3.935 5.134) 13.032 8.300 ( -2.682 2.578 -2.271) 4.358 8.372 ( 3.628 -2.214 3.640) 5.596 8.437 ( -6.107 -0.450 -3.918) 7.270 8.629 ( -7.714 4.988 -3.812) 9.946 8.706 ( 4.012 -5.422 0.931) 6.809 8.801 ( -2.164 -0.010 2.968) 3.674 8.973 ( -5.640 2.716 4.058) 7.460 9.262 ( -1.791 -7.781 -5.687) 9.802 9.481 ( -5.442 -0.489 -1.262) 5.608 9.714 ( -0.243 -7.442 -2.273) 7.785 10.036 ( -0.390 -26.148 -1.382) 26.188 10.171 ( 1.293 -26.753 -0.810) 26.796 10.340 ( -24.821 -8.655 -0.496) 26.291 10.596 ( -3.258 -11.836 1.681) 12.390 10.810 ( -4.176 -11.697 -0.702) 12.439 10.862 ( -14.743 -1.897 -3.587) 15.291 10.963 ( -5.239 3.092 -1.377) 6.237 11.094 ( -4.472 -13.401 -1.927) 14.259 11.199 ( -1.903 -6.630 4.243) 8.098 11.285 ( -3.983 -9.907 1.135) 10.737 11.452 ( 2.011 1.854 -4.583) 5.338 11.624 ( 5.717 2.682 -0.107) 6.316 11.638 ( 5.355 -1.484 -2.665) 6.163 11.785 ( 1.913 5.450 -3.132) 6.571 11.920 ( 10.957 10.919 -0.398) 15.474 11.957 ( 8.249 0.949 -2.167) 8.581 12.103 ( 2.022 9.029 2.779) 9.661 12.227 ( 1.373 8.440 -1.876) 8.755 12.345 ( 1.446 4.832 -4.110) 6.506 12.531 ( 9.225 6.734 3.651) 11.991 12.747 ( -7.802 -0.045 2.498) 8.192 12.890 ( -1.182 5.223 7.018) 8.828 13.256 ( 3.737 7.163 4.818) 9.407 13.269 ( -13.141 12.653 -3.467) 18.569 13.395 ( 4.800 8.592 1.984) 10.040 13.496 ( 7.721 10.927 1.060) 13.421 13.804 ( -3.228 8.549 -1.835) 9.321 13.868 ( 7.359 6.257 0.790) 9.692 14.132 ( -9.257 -0.571 1.559) 9.405 14.222 ( 4.154 5.662 3.526) 7.858 14.473 ( -2.856 -1.761 -0.243) 3.364 14.727 ( -6.788 -5.137 0.841) 8.554 14.830 ( -2.345 4.748 8.116) 9.691 14.959 ( -1.830 3.120 0.013) 3.618 15.067 ( -0.556 3.863 3.973) 5.569 15.220 ( -5.692 2.135 2.779) 6.684 15.317 ( 0.651 -3.379 0.401) 3.465 15.430 ( 3.652 -2.443 -6.393) 7.758 15.717 ( -5.597 -1.509 0.313) 5.805 15.729 ( 3.944 -2.420 0.504) 4.654 15.855 ( -1.418 2.385 -3.027) 4.106 15.936 ( -3.419 -10.260 -4.838) 11.847 16.051 ( 5.604 -1.019 0.336) 5.706 16.200 ( -0.303 -1.605 0.795) 1.817 16.316 ( -0.223 -1.941 -3.335) 3.865 16.478 ( -4.142 -1.051 -3.672) 5.634 16.649 ( 5.942 -6.443 2.601) 9.142 16.837 ( -0.655 -5.149 -2.277) 5.668 16.971 ( 5.425 0.308 -0.357) 5.446 17.405 ( 8.865 -4.724 1.103) 10.106 17.659 ( 3.649 -4.281 -4.814) 7.404 17.740 ( 2.738 -6.424 2.196) 7.320 18.104 ( -4.761 -9.026 0.370) 10.211 18.128 ( 2.472 -13.208 -11.645) 17.781 18.671 ( 0.971 4.735 1.934) 5.206 18.758 ( 1.690 3.779 2.594) 4.886 18.983 ( -0.860 8.638 3.442) 9.338 19.247 ( -2.077 1.147 2.420) 3.389 19.553 ( 1.764 2.374 2.821) 4.087 19.587 ( 3.011 -0.968 0.075) 3.164 19.806 ( -2.763 -3.749 -11.037) 11.979 20.084 ( -0.663 -14.867 -0.021) 14.882 20.568 ( -2.527 3.452 0.673) 4.330 20.904 ( -4.195 7.605 4.219) 9.656 21.313 ( 1.488 -3.677 4.332) 5.874 21.439 ( -0.819 -9.465 9.448) 13.399 23.815 ( -1.848 2.097 1.256) 3.064 23.889 ( 0.635 -0.816 0.438) 1.122 24.247 ( 0.714 7.944 6.927) 10.564 24.371 ( 1.486 2.686 6.220) 6.937 24.835 ( -4.386 1.206 3.662) 5.840 24.958 ( -6.350 1.778 -3.223) 7.340 25.309 ( 7.544 1.494 -5.624) 9.528 25.548 ( 2.540 4.977 1.166) 5.708 25.595 ( -2.127 3.962 -8.271) 9.414 26.043 ( -5.346 -1.763 -8.406) 10.117 26.652 ( 4.566 7.395 0.840) 8.732 26.819 ( -6.422 1.742 -24.785) 25.663 27.021 ( 9.214 0.668 17.320) 19.630 27.503 ( -2.454 -2.017 2.811) 4.241 27.968 ( -9.793 10.688 -2.674) 14.740 28.196 ( -0.725 5.638 6.877) 8.922 28.975 ( -4.692 -0.542 -5.703) 7.405 29.142 ( 0.156 -3.733 -8.056) 8.880 29.446 ( 1.688 5.700 2.360) 6.396 29.619 ( -0.844 -1.560 7.196) 7.411 29.709 ( 3.981 -1.005 0.396) 4.125 29.893 ( -2.890 0.237 -2.631) 3.916 30.263 ( 4.406 -6.999 -0.289) 8.276 30.340 ( 9.542 -4.323 3.456) 11.031 31.504 ( 1.465 1.083 -0.076) 1.824 31.662 ( -0.951 1.200 0.639) 1.659 31.726 ( 4.093 -1.561 0.204) 4.385 31.809 ( 1.255 -6.309 0.426) 6.447 32.162 ( -3.153 1.595 -0.280) 3.544 32.290 ( 0.121 -0.809 -2.623) 2.747 32.673 ( -9.041 -3.152 0.797) 9.608 32.759 ( -6.795 -6.291 -0.484) 9.273 33.352 ( 6.597 7.469 -3.230) 10.476 33.504 ( 4.885 9.090 9.514) 14.036 33.792 ( -6.659 4.246 -0.290) 7.903 33.964 ( -0.775 3.405 -0.896) 3.605 34.044 ( -0.574 1.944 -0.256) 2.043 34.265 ( 3.353 4.693 -2.094) 6.136 34.510 ( -2.856 -5.845 1.982) 6.800 34.616 ( 0.338 -4.108 -1.226) 4.300 35.336 ( 4.794 13.778 0.443) 14.595 35.400 ( 5.156 12.071 0.659) 13.143 36.008 ( 1.372 -2.430 -3.486) 4.466 36.119 ( -3.430 -2.843 5.980) 7.457 91.016 ( -0.648 4.412 0.071) 4.460 91.092 ( 0.193 3.783 -0.067) 3.788 91.593 ( -0.897 -6.578 -4.106) 7.806 91.666 ( 0.233 -9.954 -4.247) 10.825 93.729 ( -0.189 6.273 -0.060) 6.276 93.801 ( 0.847 7.376 -0.070) 7.425 94.305 ( -5.302 -5.178 0.666) 7.441 94.419 ( 0.742 -1.292 -3.628) 3.922 94.905 ( 3.565 -8.289 -8.319) 12.273 95.234 ( 8.930 -9.430 6.453) 14.502 95.808 ( -3.909 -14.371 -18.480) 23.735 96.437 ( -9.608 -33.806 11.773) 37.064 97.987 ( -1.311 2.885 -2.010) 3.752 98.042 ( -1.576 1.129 0.273) 1.958 99.021 ( -3.083 8.835 0.928) 9.404 99.214 ( -3.286 0.968 0.543) 3.469 102.440 ( -0.043 1.530 -0.030) 1.531 102.471 ( 0.226 1.023 0.015) 1.048 102.825 ( 0.284 4.664 -0.387) 4.688 102.947 ( -0.531 1.296 0.747) 1.587 107.574 ( -0.146 0.362 0.283) 0.483 107.602 ( 0.467 -0.182 -0.106) 0.513 107.776 ( 0.985 -1.362 0.151) 1.688 107.792 ( 1.289 -1.832 -0.035) 2.241 ======================= Grid point 214 (106/126) ======================= q-point: ( 0.38 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 19.341 2.616 -8.361) 21.233 2.835 ( 13.370 23.124 -25.964) 37.250 3.126 ( -9.439 12.449 -7.691) 17.413 3.317 ( -4.666 9.739 -2.205) 11.022 3.867 ( -39.566 -4.801 -8.809) 40.818 4.095 ( -39.546 -2.574 3.092) 39.750 5.308 ( 9.067 25.287 12.515) 29.636 5.451 ( 0.605 26.599 13.004) 29.614 5.557 ( 24.590 40.027 0.877) 46.985 5.744 ( -6.898 13.814 13.056) 20.221 5.913 ( 10.088 -1.809 -1.410) 10.346 6.002 ( 9.162 25.247 4.191) 27.183 6.305 ( 4.540 9.402 -5.122) 11.629 6.338 ( -7.553 -5.766 -0.316) 9.508 6.709 ( 6.417 -3.802 -0.007) 7.459 6.803 ( 2.131 -8.936 -0.274) 9.191 7.150 ( 10.206 6.663 -0.792) 12.214 7.272 ( -8.612 4.167 1.831) 9.741 7.462 ( 5.066 -0.890 1.585) 5.382 7.478 ( -10.720 4.263 1.609) 11.648 7.848 ( -3.864 1.629 1.081) 4.330 7.914 ( -2.675 0.133 -0.616) 2.748 8.082 ( 4.014 1.181 2.260) 4.756 8.172 ( -4.653 -0.558 0.603) 4.725 8.280 ( -2.228 -1.575 -6.159) 6.737 8.491 ( 5.601 -5.279 -0.512) 7.714 8.546 ( 13.775 -6.842 1.975) 15.507 8.611 ( 10.247 -1.766 5.014) 11.544 8.820 ( 1.126 1.437 1.157) 2.161 8.901 ( 19.225 -10.322 1.377) 21.864 9.032 ( 12.998 -8.642 2.120) 15.753 9.153 ( -0.901 -13.552 -7.784) 15.654 9.419 ( -3.269 -4.271 0.417) 5.394 9.674 ( -0.815 -5.795 -1.803) 6.123 9.882 ( -31.133 -15.354 0.094) 34.714 10.016 ( -4.152 -19.849 -0.125) 20.279 10.176 ( -1.435 -20.377 -0.331) 20.430 10.473 ( -21.819 -9.307 -0.482) 23.726 10.631 ( -3.455 -27.016 1.559) 27.281 10.772 ( -2.152 -20.626 1.349) 20.781 10.857 ( -1.463 2.569 -6.059) 6.742 11.052 ( -0.179 -9.195 -1.404) 9.303 11.182 ( -2.536 -9.767 -1.451) 10.195 11.237 ( -2.792 -6.013 -6.919) 9.583 11.378 ( 1.296 -0.450 0.947) 1.667 11.632 ( -1.858 0.473 -2.522) 3.168 11.805 ( 10.070 12.460 1.353) 16.078 11.843 ( 9.883 -4.843 1.226) 11.074 12.047 ( 8.554 -0.535 -2.059) 8.815 12.071 ( 5.785 13.351 -1.216) 14.601 12.178 ( 0.594 10.592 0.467) 10.618 12.224 ( 5.990 11.702 -3.875) 13.705 12.334 ( 2.763 4.999 2.446) 6.213 12.542 ( -10.386 4.904 0.532) 11.498 12.713 ( -2.488 5.956 0.451) 6.471 12.866 ( -11.618 9.179 0.788) 14.827 13.092 ( 1.488 16.659 0.534) 16.734 13.379 ( 3.354 10.913 2.748) 11.743 13.582 ( 10.173 10.829 3.913) 15.364 13.615 ( 3.071 13.607 3.575) 14.400 13.759 ( 2.823 4.894 -0.874) 5.717 13.931 ( -13.495 1.494 3.806) 14.101 14.040 ( 6.409 5.394 2.402) 8.714 14.351 ( 4.792 5.242 3.472) 7.906 14.467 ( 0.440 -3.597 2.027) 4.152 14.633 ( -7.561 -6.525 1.195) 10.058 14.778 ( -13.408 3.836 3.905) 14.482 14.930 ( -1.329 3.661 -3.231) 5.060 15.107 ( 0.627 1.982 5.642) 6.013 15.193 ( -3.024 0.709 5.042) 5.922 15.353 ( 1.207 -5.151 -7.243) 8.970 15.442 ( 6.300 5.704 -0.394) 8.508 15.650 ( -2.454 -1.562 0.423) 2.940 15.730 ( -4.573 -3.853 0.287) 5.986 15.839 ( 0.810 -3.556 -3.940) 5.369 15.885 ( 3.206 -4.617 4.427) 7.155 16.109 ( 2.391 -0.146 -1.867) 3.037 16.258 ( -0.055 1.653 0.044) 1.654 16.271 ( 1.467 -2.537 1.105) 3.132 16.340 ( -1.226 -5.269 -8.113) 9.751 16.662 ( -0.352 -2.789 -4.640) 5.425 16.847 ( 0.056 -8.185 1.111) 8.261 17.083 ( 6.602 -1.047 3.406) 7.502 17.488 ( 3.304 -5.283 -2.788) 6.827 17.681 ( 5.106 -5.402 -2.088) 7.720 17.784 ( 0.821 -11.400 -0.623) 11.447 17.950 ( 1.393 -12.774 -16.275) 20.736 18.018 ( -6.982 -8.031 -1.079) 10.696 18.711 ( 0.084 1.926 3.160) 3.702 18.806 ( 1.181 1.708 1.247) 2.422 19.027 ( -0.352 9.390 4.294) 10.331 19.198 ( -3.557 5.887 -1.227) 6.987 19.509 ( -2.453 0.207 -5.851) 6.347 19.532 ( -2.910 1.190 -2.474) 4.001 19.890 ( 9.885 -3.996 4.353) 11.516 20.084 ( 0.097 -14.349 0.454) 14.357 20.668 ( 6.063 4.896 10.508) 13.082 20.960 ( 0.116 7.745 9.534) 12.284 21.332 ( -3.023 -1.730 0.284) 3.495 21.454 ( -7.470 -9.502 1.598) 12.192 23.826 ( -0.110 2.017 2.747) 3.410 23.899 ( 0.272 -0.002 0.306) 0.409 24.415 ( 1.331 5.515 14.220) 15.310 24.470 ( 0.759 2.946 7.126) 7.749 24.805 ( -6.344 3.016 -1.347) 7.152 24.865 ( -0.441 3.120 5.119) 6.011 25.298 ( 6.951 4.636 -12.206) 14.792 25.531 ( 4.109 4.061 -1.060) 5.874 25.643 ( -0.582 2.262 3.794) 4.455 25.827 ( -2.116 -4.838 -17.173) 17.966 26.444 ( -7.128 3.280 -13.596) 15.698 26.663 ( -0.852 2.350 -4.863) 5.468 27.312 ( 7.000 6.038 4.623) 10.335 27.501 ( 1.642 -1.744 1.754) 2.969 27.783 ( -9.524 13.108 0.536) 16.212 28.293 ( -1.777 3.270 7.442) 8.321 28.804 ( -3.514 -1.719 -8.328) 9.201 29.053 ( -0.265 -6.273 -5.379) 8.268 29.532 ( 4.231 6.958 2.000) 8.385 29.663 ( -0.272 0.563 1.698) 1.809 29.790 ( 2.895 -2.287 2.723) 4.585 29.829 ( -3.464 2.654 -0.579) 4.402 30.315 ( 4.555 -7.655 -0.457) 8.919 30.439 ( 0.826 -6.787 -0.207) 6.840 31.556 ( 5.206 1.527 0.391) 5.439 31.669 ( -1.291 4.045 1.956) 4.674 31.760 ( 2.099 -4.582 -0.955) 5.129 31.813 ( -1.782 -4.247 0.570) 4.641 32.156 ( 0.181 2.234 2.095) 3.068 32.266 ( 2.420 -1.001 -3.600) 4.451 32.567 ( -7.130 -3.540 1.432) 8.088 32.651 ( -5.857 -5.903 -1.491) 8.449 33.415 ( 7.198 6.101 -2.227) 9.695 33.609 ( -7.880 5.881 4.615) 10.862 33.747 ( 2.339 5.979 3.257) 7.199 33.936 ( -1.375 4.028 -1.080) 4.391 34.057 ( 0.720 1.242 2.111) 2.553 34.257 ( 1.608 4.068 -4.410) 6.212 34.519 ( -0.966 -6.299 3.266) 7.161 34.608 ( 0.635 -4.359 -1.246) 4.577 35.408 ( 3.559 11.270 0.930) 11.855 35.463 ( 2.757 10.858 -0.161) 11.204 36.023 ( 3.918 -1.764 -0.311) 4.308 36.120 ( -5.054 -2.129 4.004) 6.790 91.019 ( 0.180 4.075 0.890) 4.175 91.080 ( -0.668 3.610 -1.028) 3.812 91.525 ( -0.789 -5.374 -4.385) 6.981 91.593 ( 0.123 -8.265 -7.022) 10.845 93.734 ( 0.435 6.043 0.563) 6.085 93.799 ( -0.193 7.014 -0.931) 7.078 94.244 ( -4.160 -3.747 0.901) 5.671 94.376 ( 1.934 -1.735 -6.173) 6.697 94.862 ( 1.210 -4.356 -2.803) 5.319 95.278 ( 0.497 -4.171 -11.734) 12.463 95.777 ( 13.229 -16.438 3.712) 21.424 96.366 ( -14.705 -30.940 5.398) 34.679 97.953 ( -0.667 2.963 -0.997) 3.197 98.011 ( -1.419 1.155 -1.423) 2.317 99.024 ( 0.911 9.315 1.694) 9.511 99.159 ( -4.742 4.072 0.525) 6.272 102.442 ( 0.187 1.537 0.250) 1.568 102.469 ( -0.156 1.153 -0.317) 1.206 102.844 ( 2.306 3.826 0.133) 4.469 102.931 ( -2.320 1.641 0.287) 2.856 107.578 ( 0.023 0.315 0.540) 0.626 107.604 ( 0.188 -0.123 -0.340) 0.407 107.792 ( 0.622 -1.874 0.374) 2.010 107.807 ( 0.887 -2.424 -0.215) 2.590 ======================= Grid point 215 (107/126) ======================= q-point: (-0.50 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( -26.038 11.057 -5.699) 28.857 2.665 ( 26.741 13.708 -16.745) 34.400 3.127 ( 23.005 2.200 -0.681) 23.120 3.200 ( -21.055 0.349 -7.329) 22.297 3.590 ( -12.294 4.938 4.775) 14.083 3.661 ( 10.590 4.219 -1.889) 11.555 5.509 ( -3.821 21.417 8.997) 23.542 5.552 ( 3.361 36.657 2.098) 36.871 5.711 ( -10.784 24.039 8.210) 27.597 5.827 ( 8.852 25.113 -0.164) 26.628 6.028 ( -2.198 -11.667 1.247) 11.938 6.068 ( 4.158 -11.151 -1.546) 12.001 6.251 ( -10.896 27.758 4.755) 30.196 6.364 ( 10.981 13.798 -5.741) 18.545 6.846 ( 1.968 -4.003 1.776) 4.801 6.865 ( 3.292 -2.346 -0.124) 4.044 7.156 ( -4.414 7.886 -0.364) 9.045 7.165 ( -1.502 9.004 -0.989) 9.182 7.400 ( -1.827 4.066 6.191) 7.629 7.518 ( 3.594 4.311 -3.024) 6.376 7.807 ( -8.772 -1.388 3.193) 9.438 7.876 ( 7.210 -1.441 -2.001) 7.620 8.085 ( -2.470 4.806 0.051) 5.404 8.097 ( -0.367 2.971 -1.526) 3.360 8.357 ( 9.848 -3.637 2.434) 10.777 8.450 ( -4.678 -0.694 -5.686) 7.395 8.704 ( 3.018 2.517 6.160) 7.306 8.745 ( -4.763 -5.145 5.214) 8.738 8.809 ( 1.439 -7.856 1.586) 8.143 8.974 ( -7.113 -14.529 -8.993) 18.509 9.287 ( -8.315 -12.505 -0.437) 15.024 9.292 ( 9.925 -13.567 -1.095) 16.845 9.371 ( -15.097 -12.083 1.083) 19.367 9.390 ( 18.673 -13.025 -0.769) 22.780 9.814 ( -4.750 -4.737 5.083) 8.417 9.909 ( 7.833 -7.978 -2.806) 11.527 10.180 ( 3.610 -20.621 0.454) 20.940 10.225 ( -5.008 -17.094 -3.836) 18.221 10.655 ( -0.583 -27.774 3.736) 28.030 10.735 ( -0.976 -26.402 -3.008) 26.591 10.822 ( -2.372 -0.555 4.168) 4.828 11.012 ( 3.688 -7.015 -9.546) 12.407 11.128 ( -2.609 -9.095 -0.923) 9.506 11.131 ( 1.691 -9.895 -3.024) 10.484 11.454 ( 0.467 2.130 4.957) 5.415 11.557 ( -0.346 0.794 -4.486) 4.568 11.929 ( 0.610 6.686 3.074) 7.384 11.977 ( 2.109 -6.574 0.916) 6.964 12.055 ( -5.518 11.747 -0.829) 13.005 12.092 ( 0.535 0.580 -2.498) 2.620 12.157 ( 1.833 8.213 2.454) 8.766 12.241 ( -2.809 7.802 -3.885) 9.157 12.429 ( 7.036 6.990 3.863) 10.643 12.495 ( -6.001 16.612 -2.388) 17.823 12.601 ( 1.645 12.891 3.031) 13.344 12.732 ( 0.173 4.622 -6.257) 7.781 13.244 ( 4.384 15.521 5.534) 17.051 13.339 ( -3.668 14.422 -3.674) 15.328 13.654 ( -2.953 15.492 5.112) 16.578 13.718 ( -0.306 11.155 0.991) 11.204 13.780 ( -9.754 8.084 5.011) 13.624 13.879 ( 12.427 0.499 -2.168) 12.625 14.224 ( 6.347 4.125 5.234) 9.203 14.344 ( -2.354 2.117 -4.693) 5.661 14.556 ( 2.869 -0.954 6.325) 7.011 14.597 ( 1.288 -1.410 1.699) 2.556 14.659 ( -7.092 -1.532 4.307) 8.438 14.821 ( -2.226 2.014 -7.953) 8.500 15.204 ( -7.271 0.183 7.382) 10.363 15.228 ( 3.140 5.316 3.450) 7.072 15.285 ( 1.344 -6.129 -1.694) 6.499 15.426 ( 2.449 1.892 -9.250) 9.754 15.655 ( -1.108 -2.346 4.267) 4.993 15.767 ( -1.426 -4.079 -1.589) 4.604 15.789 ( 3.531 -1.527 5.602) 6.795 16.024 ( 1.424 -3.024 4.871) 5.907 16.050 ( 1.214 -0.400 -10.832) 10.907 16.128 ( -1.881 0.693 -5.971) 6.299 16.315 ( 0.557 0.873 4.012) 4.143 16.384 ( 2.722 -3.091 -0.222) 4.125 16.630 ( 1.365 -4.562 2.601) 5.425 16.797 ( -2.557 -5.835 -6.676) 9.228 17.196 ( -1.605 -7.056 7.772) 10.619 17.407 ( -1.597 -8.024 -9.933) 12.869 17.689 ( -3.210 -8.249 -1.294) 8.945 17.788 ( 8.074 -11.342 -8.162) 16.138 17.845 ( -4.700 -6.037 3.875) 8.576 17.921 ( -0.123 -7.431 -3.078) 8.044 18.753 ( -0.765 1.591 4.071) 4.438 18.816 ( 0.169 0.922 -1.206) 1.527 19.078 ( 0.156 9.457 4.004) 10.270 19.145 ( -0.676 8.715 -2.323) 9.044 19.446 ( 0.244 0.285 -1.349) 1.400 19.463 ( -1.503 -0.336 -2.651) 3.066 20.035 ( 3.626 -8.092 2.388) 9.184 20.074 ( -1.450 -10.964 -1.194) 11.124 20.963 ( 9.708 4.000 14.601) 17.984 21.143 ( 7.080 0.687 10.506) 12.688 21.226 ( -6.333 4.084 -8.362) 11.256 21.289 ( -9.816 -6.415 -3.558) 12.254 23.867 ( -0.173 0.726 2.876) 2.971 23.904 ( 0.930 1.364 -0.713) 1.798 24.532 ( -1.532 1.058 3.412) 3.887 24.539 ( -0.839 0.046 3.691) 3.785 24.863 ( 0.714 6.480 17.021) 18.227 24.980 ( 1.799 3.247 11.881) 12.447 25.231 ( 6.762 4.401 -14.621) 16.699 25.421 ( -4.780 3.477 -24.828) 25.521 25.627 ( 3.113 1.457 2.657) 4.344 25.676 ( -3.394 -0.528 -2.699) 4.368 26.350 ( 2.590 0.481 3.143) 4.101 26.507 ( -5.777 -0.142 -9.756) 11.339 27.392 ( 1.076 9.977 2.188) 10.271 27.473 ( 0.226 10.790 -5.760) 12.233 27.886 ( 6.712 1.491 14.814) 16.332 28.195 ( -8.027 -1.174 -10.873) 13.566 28.794 ( 1.806 -1.114 7.632) 7.921 28.977 ( -0.550 -5.015 -7.003) 8.631 29.587 ( 1.618 6.794 0.484) 7.001 29.635 ( -1.771 5.553 -3.942) 7.036 29.807 ( -2.097 -0.119 3.936) 4.462 29.850 ( 2.709 -1.887 0.164) 3.305 30.379 ( 0.173 -6.776 0.361) 6.788 30.393 ( -0.668 -7.778 -1.118) 7.886 31.612 ( -5.529 2.641 3.514) 7.063 31.676 ( 6.502 1.694 -2.353) 7.120 31.769 ( -4.018 -3.177 1.465) 5.328 31.800 ( 3.513 -4.848 -1.389) 6.145 32.176 ( -3.412 1.592 3.663) 5.253 32.268 ( 4.104 1.204 -4.702) 6.356 32.521 ( -2.676 -5.563 3.115) 6.914 32.584 ( 1.655 -5.384 -2.667) 6.232 33.488 ( -7.110 6.199 1.669) 9.580 33.519 ( 5.854 6.481 -1.340) 8.836 33.838 ( 1.689 4.499 3.912) 6.197 33.899 ( -1.389 4.120 -1.595) 4.631 34.109 ( 0.694 1.603 3.763) 4.149 34.209 ( 0.441 2.745 -5.265) 5.954 34.549 ( -1.023 -6.241 3.124) 7.054 34.601 ( 1.029 -5.064 -1.719) 5.446 35.448 ( -0.746 9.792 1.394) 9.919 35.480 ( 1.640 10.619 -1.479) 10.846 36.058 ( -6.778 -1.533 4.116) 8.077 36.118 ( 6.209 -1.838 -1.459) 6.638 91.037 ( 0.160 3.653 1.033) 3.800 91.057 ( -0.150 3.487 -1.011) 3.634 91.470 ( -1.067 -4.596 -1.852) 5.068 91.515 ( 0.616 -5.838 -5.451) 8.011 93.754 ( 0.773 6.101 1.004) 6.231 93.778 ( -0.674 6.510 -1.216) 6.657 94.214 ( -3.385 -2.491 3.032) 5.182 94.329 ( 3.759 -2.862 -7.246) 8.650 94.890 ( 0.348 0.489 5.487) 5.520 95.104 ( -0.131 0.784 -13.673) 13.696 96.058 ( 1.299 -25.797 9.655) 27.575 96.194 ( -1.954 -25.050 -2.814) 25.283 97.946 ( 0.025 2.400 0.534) 2.459 97.975 ( -0.266 1.622 -1.933) 2.537 99.068 ( -1.267 7.952 2.674) 8.485 99.113 ( 1.487 6.515 -1.364) 6.820 102.450 ( 0.275 1.465 0.438) 1.554 102.460 ( -0.291 1.322 -0.475) 1.434 102.884 ( 0.678 2.756 0.628) 2.906 102.896 ( -0.605 2.408 -0.422) 2.518 107.587 ( 0.034 0.192 0.653) 0.681 107.600 ( -0.029 -0.005 -0.532) 0.533 107.800 ( -0.510 -2.260 0.586) 2.389 107.812 ( 0.472 -2.528 -0.475) 2.615 ======================= Grid point 216 (108/126) ======================= q-point: (-0.38 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( -20.504 22.203 8.118) 31.294 2.649 ( -15.342 12.254 -2.821) 19.836 3.065 ( 22.070 14.975 -3.391) 26.885 3.303 ( -6.927 12.871 0.828) 14.640 3.747 ( 44.558 -9.435 2.376) 45.608 4.144 ( 39.441 -2.863 -0.703) 39.551 5.407 ( -16.854 41.410 -0.105) 44.709 5.509 ( -21.950 42.846 3.856) 48.296 5.643 ( -1.664 19.946 -0.976) 20.039 5.876 ( -9.644 -16.635 -1.059) 19.258 5.926 ( 5.034 14.831 -2.271) 15.826 6.065 ( -14.055 27.870 1.441) 31.247 6.210 ( 5.212 -5.918 2.003) 8.136 6.409 ( 8.591 -2.462 -5.560) 10.526 6.746 ( -8.667 2.674 -2.397) 9.382 6.806 ( -3.319 -6.670 -0.967) 7.513 7.149 ( -6.814 7.756 -0.416) 10.332 7.272 ( 10.476 4.481 2.350) 11.634 7.441 ( -4.913 -1.397 3.125) 5.988 7.531 ( 4.134 2.428 -3.127) 5.724 7.826 ( 7.897 2.940 3.343) 9.065 7.916 ( -0.379 -0.885 -0.689) 1.184 8.132 ( 4.295 1.131 0.644) 4.488 8.150 ( 6.892 5.615 0.719) 8.919 8.253 ( -9.074 -4.323 -5.645) 11.527 8.467 ( -2.434 -4.916 0.236) 5.490 8.578 ( -19.638 -10.636 -0.386) 22.336 8.704 ( -13.117 -0.109 -2.110) 13.286 8.812 ( 0.489 2.298 5.512) 5.992 8.874 ( -10.287 -14.256 2.974) 17.830 8.987 ( -9.224 -12.778 2.896) 16.024 9.124 ( -2.313 -7.054 -5.016) 8.960 9.443 ( 5.680 -7.789 -0.785) 9.672 9.642 ( -6.750 -2.268 0.357) 7.129 9.902 ( 33.220 -15.064 -1.505) 36.507 10.034 ( 1.973 -18.849 -1.427) 19.005 10.191 ( 2.488 -18.849 -2.195) 19.138 10.443 ( 27.879 -9.687 1.838) 29.571 10.650 ( -2.532 -23.087 0.755) 23.238 10.759 ( 4.397 -21.668 1.250) 22.144 10.800 ( -4.969 -3.286 2.249) 6.367 11.026 ( 8.236 -6.310 -2.781) 10.741 11.106 ( 1.445 -9.480 1.270) 9.673 11.173 ( 3.954 -11.049 0.882) 11.768 11.434 ( -3.490 -0.196 -1.283) 3.724 11.582 ( 3.350 1.595 1.125) 3.877 11.835 ( -9.968 -1.538 -0.610) 10.104 11.868 ( -12.289 6.998 -2.283) 14.325 11.965 ( -12.402 9.629 4.665) 16.379 12.067 ( -8.234 6.693 -0.099) 10.612 12.140 ( -0.323 8.536 2.271) 8.839 12.228 ( -0.008 7.554 -2.456) 7.943 12.390 ( 1.323 6.285 -1.751) 6.657 12.616 ( 7.715 6.179 -2.551) 10.208 12.628 ( 3.175 3.988 3.264) 6.053 12.851 ( 15.072 13.333 0.156) 20.124 13.115 ( -9.362 15.876 -1.394) 18.484 13.405 ( 0.579 10.878 0.887) 10.930 13.618 ( -6.386 8.400 0.554) 10.566 13.682 ( -9.086 8.286 5.536) 13.486 13.728 ( 0.671 16.890 -3.954) 17.359 14.006 ( 5.940 3.738 -2.532) 7.461 14.142 ( -2.553 1.092 -5.014) 5.731 14.401 ( 4.516 3.696 -2.292) 6.270 14.576 ( -1.049 -1.009 -5.090) 5.294 14.645 ( 4.122 -4.467 -2.031) 6.408 14.754 ( 1.214 0.466 11.737) 11.809 14.801 ( 9.600 4.459 2.236) 10.819 15.156 ( -7.514 -8.172 4.441) 11.957 15.209 ( -3.606 6.830 -1.562) 7.880 15.338 ( 1.561 4.547 -0.068) 4.807 15.431 ( 7.769 -3.116 -2.883) 8.853 15.688 ( -3.365 -2.055 4.859) 6.257 15.720 ( 2.609 -2.819 -4.261) 5.737 15.876 ( 0.259 -6.650 -9.383) 11.503 15.940 ( -1.437 2.239 6.981) 7.471 16.065 ( 2.397 0.326 -2.521) 3.494 16.124 ( 3.602 -0.725 3.204) 4.875 16.322 ( -2.690 0.769 -2.728) 3.908 16.359 ( -2.081 -2.133 -2.975) 4.211 16.644 ( -1.286 -3.414 -3.683) 5.184 16.781 ( 3.656 -5.547 6.340) 9.184 17.168 ( -10.803 -8.207 -0.958) 13.601 17.339 ( -1.507 -6.251 6.032) 8.817 17.619 ( -6.243 -13.875 4.853) 15.970 17.731 ( -1.446 -4.049 -5.652) 7.102 17.825 ( -3.707 -7.575 1.529) 8.570 18.006 ( 9.544 -8.444 0.728) 12.764 18.774 ( -1.369 2.258 -0.480) 2.684 18.792 ( -1.409 1.597 0.692) 2.239 19.109 ( 0.276 9.460 -2.970) 9.919 19.146 ( 3.057 7.735 3.602) 9.063 19.439 ( 0.690 -0.232 0.459) 0.861 19.479 ( 3.040 -0.327 1.920) 3.611 19.978 ( -6.971 -7.103 -3.421) 10.524 20.086 ( 0.483 -11.892 0.186) 11.903 20.931 ( -10.753 3.724 -12.617) 16.991 21.141 ( -3.124 4.931 -5.862) 8.272 21.247 ( 6.734 4.012 8.174) 11.325 21.403 ( 11.452 -10.846 6.734) 17.150 23.869 ( -1.161 2.162 -0.204) 2.462 23.913 ( 1.242 -0.862 -1.251) 1.962 24.495 ( -2.253 1.996 1.022) 3.179 24.654 ( 7.990 -1.335 2.084) 8.365 24.955 ( -8.605 7.822 -14.834) 18.849 25.035 ( -4.680 2.725 4.023) 6.746 25.132 ( 4.409 2.766 -15.701) 16.541 25.285 ( 5.014 4.189 21.501) 22.471 25.572 ( -5.417 0.917 -0.220) 5.499 25.714 ( 2.222 -0.201 0.189) 2.239 26.351 ( -0.842 2.526 -2.783) 3.852 26.497 ( 3.970 -0.315 8.558) 9.439 27.347 ( -3.725 7.591 -0.813) 8.495 27.518 ( 5.383 8.824 -1.460) 10.439 27.942 ( -1.305 2.052 -11.756) 12.005 28.201 ( 8.213 0.715 14.588) 16.756 28.836 ( -2.612 -1.237 -8.609) 9.081 28.935 ( 1.811 -4.312 6.094) 7.682 29.552 ( -3.995 6.675 -1.375) 7.900 29.619 ( -0.104 4.766 2.620) 5.439 29.826 ( -0.284 -1.184 0.965) 1.554 29.875 ( 3.063 -0.709 -2.877) 4.261 30.299 ( -6.009 -6.809 0.859) 9.122 30.437 ( 1.539 -7.183 -0.087) 7.346 31.537 ( -7.112 2.751 1.709) 7.815 31.710 ( -3.968 -0.975 -0.068) 4.086 31.748 ( 3.905 -1.844 -1.230) 4.491 31.835 ( 2.616 -4.577 -1.140) 5.394 32.161 ( -3.792 1.031 2.943) 4.910 32.243 ( 0.373 2.404 -3.009) 3.869 32.574 ( 5.329 -6.856 1.533) 8.818 32.638 ( 7.778 -3.815 -0.985) 8.719 33.372 ( -8.779 7.550 1.666) 11.698 33.643 ( 9.151 4.418 0.293) 10.166 33.843 ( -2.253 3.711 -3.357) 5.488 33.896 ( 1.091 4.362 2.065) 4.948 34.128 ( -1.709 2.572 -2.770) 4.148 34.174 ( 0.951 2.261 1.563) 2.908 34.556 ( -1.830 -5.766 1.263) 6.180 34.599 ( 1.582 -5.490 -1.549) 5.920 35.418 ( -4.277 11.283 0.291) 12.070 35.478 ( 0.149 9.794 -1.517) 9.912 35.988 ( -7.449 -0.565 2.653) 7.928 36.198 ( 6.954 -2.872 -2.406) 7.899 91.031 ( -0.909 3.523 -0.111) 3.640 91.067 ( 1.473 3.366 0.037) 3.674 91.461 ( -1.241 -4.908 3.449) 6.126 91.483 ( 0.940 -4.642 -1.154) 4.875 93.751 ( -0.754 5.855 -0.915) 5.974 93.781 ( 0.933 6.605 0.781) 6.716 94.219 ( -3.046 -2.534 4.794) 6.219 94.317 ( 5.283 -3.261 -4.372) 7.594 94.947 ( -0.657 2.160 -9.142) 9.416 95.006 ( 0.791 1.392 10.645) 10.765 95.852 ( -19.835 -19.171 -0.833) 27.598 96.416 ( 16.980 -31.652 0.362) 35.921 97.947 ( -0.191 2.410 -0.126) 2.421 97.979 ( 1.844 1.424 0.760) 2.451 99.044 ( -1.870 9.204 0.227) 9.394 99.173 ( 5.898 4.191 -0.787) 7.278 102.450 ( -0.320 1.434 -0.417) 1.527 102.460 ( 0.268 1.320 0.447) 1.419 102.848 ( -2.563 3.707 -0.175) 4.510 102.935 ( 2.779 1.487 0.022) 3.152 107.591 ( -0.170 0.117 -0.513) 0.553 107.595 ( -0.054 0.055 0.487) 0.493 107.791 ( -1.492 -2.190 0.404) 2.681 107.810 ( -0.079 -2.322 -0.378) 2.354 ======================= Grid point 217 (109/126) ======================= q-point: (-0.25 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -5.827 25.546 23.388) 35.122 2.530 ( -1.070 29.766 6.253) 30.435 3.130 ( 1.933 23.362 -1.132) 23.469 3.629 ( 32.865 12.148 3.505) 35.214 4.468 ( 47.931 -9.996 2.350) 49.018 4.697 ( 33.678 -1.902 -2.023) 33.793 5.026 ( -35.414 50.766 3.949) 62.023 5.108 ( -24.840 43.526 -4.668) 50.332 5.572 ( -3.884 5.070 -3.938) 7.503 5.718 ( -7.786 -12.841 -4.045) 15.553 5.912 ( -4.317 28.892 -1.919) 29.275 5.992 ( 8.695 13.512 -4.797) 16.769 6.275 ( 3.539 0.107 -0.577) 3.588 6.480 ( 4.892 -3.143 -7.956) 9.854 6.671 ( 3.019 -7.603 3.269) 8.810 6.804 ( 3.493 -6.416 0.262) 7.310 6.975 ( -12.284 4.992 -1.265) 13.320 7.315 ( -12.443 -1.427 0.610) 12.539 7.428 ( 4.852 -2.525 0.668) 5.511 7.498 ( -5.910 -9.161 -0.296) 10.906 7.689 ( -32.819 -18.673 0.096) 37.760 7.927 ( -4.298 0.635 -4.357) 6.153 8.027 ( -7.122 -4.306 -2.151) 8.596 8.181 ( -17.528 -4.520 -4.128) 18.566 8.250 ( -0.205 3.951 1.374) 4.188 8.296 ( 4.939 1.446 6.959) 8.656 8.447 ( 3.828 -5.373 -2.003) 6.894 8.582 ( -0.662 4.167 2.301) 4.806 8.748 ( -0.269 -2.878 -3.615) 4.629 8.866 ( 2.982 2.535 -1.754) 4.289 9.056 ( 4.146 -5.258 -2.333) 7.091 9.126 ( 3.839 -2.792 5.031) 6.917 9.473 ( 3.868 -2.552 -1.309) 4.815 9.636 ( -0.271 -5.951 4.295) 7.344 10.014 ( -0.138 -26.398 0.165) 26.399 10.169 ( -0.507 -25.180 -0.429) 25.189 10.357 ( 25.162 -7.610 -2.122) 26.373 10.630 ( -0.153 -15.089 -0.665) 15.105 10.726 ( 2.726 -1.001 4.273) 5.166 10.831 ( 6.593 -7.473 0.442) 9.975 10.939 ( 17.748 -4.872 2.265) 18.543 11.071 ( 3.197 -12.310 -0.325) 12.723 11.227 ( 6.058 -14.617 0.964) 15.852 11.266 ( 6.892 -4.752 4.653) 9.577 11.393 ( 2.393 -3.566 -2.490) 4.964 11.574 ( -9.883 1.570 3.284) 10.532 11.634 ( -11.630 9.943 -1.716) 15.397 11.746 ( -5.141 0.300 0.173) 5.153 11.858 ( -6.410 4.908 4.339) 9.166 11.936 ( -8.797 10.724 1.537) 13.955 12.159 ( -2.508 5.959 0.053) 6.466 12.185 ( -0.096 8.381 -0.822) 8.422 12.341 ( -2.832 7.361 -3.253) 8.531 12.580 ( -11.519 5.232 -0.209) 12.653 12.760 ( 10.992 0.092 -0.231) 10.995 12.990 ( 4.937 7.150 -1.423) 8.804 13.175 ( 11.234 12.999 4.812) 17.842 13.341 ( -4.852 7.558 -2.210) 9.250 13.466 ( -8.470 7.013 -5.065) 12.107 13.567 ( -5.495 13.941 -3.617) 15.415 13.762 ( 2.112 7.815 2.050) 8.351 13.907 ( -7.678 7.393 -2.760) 11.010 14.195 ( 8.758 -0.220 -3.095) 9.291 14.366 ( 1.455 8.030 -9.582) 12.586 14.491 ( 1.277 -3.486 -2.734) 4.611 14.721 ( 5.439 -8.092 1.194) 9.823 14.896 ( 0.144 1.487 6.108) 6.288 14.961 ( 3.688 6.872 1.016) 7.865 15.119 ( -1.096 0.417 -1.058) 1.579 15.178 ( -0.946 0.527 5.268) 5.378 15.342 ( 0.277 1.754 -0.703) 1.910 15.432 ( 2.351 -1.621 -7.716) 8.228 15.705 ( 0.018 -2.875 1.842) 3.414 15.748 ( 4.070 -0.857 2.543) 4.875 15.827 ( 0.057 -3.652 -4.237) 5.594 15.905 ( 1.305 -5.545 -2.921) 6.402 16.079 ( -0.250 -0.272 -2.255) 2.285 16.248 ( -1.029 1.647 0.514) 2.009 16.250 ( -3.140 -1.774 -2.557) 4.421 16.307 ( 4.388 -0.634 9.614) 10.587 16.656 ( 1.493 -1.274 1.468) 2.451 16.843 ( -1.164 -6.941 -0.463) 7.053 16.973 ( -10.285 0.451 -1.531) 10.409 17.350 ( -9.715 -6.685 6.220) 13.333 17.636 ( -3.180 -4.310 -2.883) 6.083 17.702 ( -2.104 -17.174 11.496) 20.773 17.809 ( -2.522 -7.088 7.368) 10.530 18.138 ( 8.162 -8.412 -1.115) 11.774 18.720 ( -2.250 3.454 -2.408) 4.774 18.780 ( -2.313 3.972 0.715) 4.652 19.068 ( 0.262 8.927 -3.825) 9.715 19.263 ( 6.789 2.269 1.512) 7.316 19.502 ( 3.181 -0.196 5.145) 6.052 19.561 ( 3.831 0.505 2.827) 4.788 19.773 ( -12.071 -2.427 -6.241) 13.804 20.080 ( -0.695 -14.796 0.112) 14.812 20.673 ( -4.386 5.034 -8.266) 10.625 21.043 ( 1.375 9.153 -7.285) 11.779 21.366 ( 2.008 1.380 0.393) 2.468 21.576 ( 6.583 -15.802 -1.995) 17.234 23.849 ( 0.414 3.031 -1.832) 3.566 23.905 ( 0.297 -3.286 -0.950) 3.433 24.483 ( 0.893 3.791 -3.033) 4.936 24.554 ( -4.708 7.962 -20.383) 22.383 24.853 ( 6.807 0.172 5.562) 8.792 24.986 ( 3.053 0.482 -10.265) 10.720 25.112 ( -3.927 5.174 9.909) 11.849 25.444 ( -4.721 5.483 3.875) 8.207 25.659 ( -3.730 -4.606 0.757) 5.975 25.711 ( 5.038 1.746 15.544) 16.433 26.450 ( 6.761 4.642 9.145) 12.283 26.609 ( -2.041 4.140 5.161) 6.924 27.274 ( -4.046 1.713 -5.491) 7.032 27.502 ( 0.283 -2.475 -0.973) 2.674 27.963 ( 12.646 11.985 -2.452) 17.595 28.357 ( 0.156 3.504 -4.179) 5.456 28.791 ( 3.596 0.023 6.467) 7.400 29.013 ( -0.060 -5.791 4.632) 7.416 29.478 ( -4.376 6.450 -0.717) 7.827 29.636 ( -2.841 0.890 2.795) 4.083 29.810 ( 0.750 -1.822 -4.592) 4.997 29.880 ( 2.754 0.363 -1.724) 3.269 30.247 ( -3.162 -6.390 1.280) 7.244 30.401 ( -5.393 -5.368 -2.110) 7.896 31.481 ( -2.982 1.423 1.634) 3.686 31.656 ( -3.760 -1.916 1.073) 4.354 31.749 ( -1.279 0.431 -1.700) 2.171 31.841 ( 1.101 -5.937 -2.109) 6.396 32.153 ( -0.150 1.203 0.997) 1.569 32.243 ( 1.423 1.787 0.924) 2.464 32.687 ( 8.461 -5.201 -0.173) 9.933 32.751 ( 7.879 -4.846 0.044) 9.250 33.284 ( -7.461 8.165 2.764) 11.400 33.721 ( -4.969 5.804 -7.930) 11.012 33.775 ( 8.019 2.104 0.436) 8.302 33.931 ( 0.432 3.842 1.710) 4.228 34.069 ( -0.797 2.326 -2.422) 3.452 34.211 ( -0.153 4.213 2.405) 4.853 34.543 ( -0.542 -5.458 0.131) 5.486 34.604 ( 1.464 -5.412 -1.037) 5.701 35.344 ( -5.591 13.816 -0.261) 14.907 35.439 ( -1.852 10.597 -2.538) 11.053 35.930 ( -5.246 -0.569 3.344) 6.247 36.243 ( 5.200 -3.658 -4.623) 7.861 91.020 ( -0.333 3.746 -0.153) 3.764 91.088 ( 1.030 3.414 0.074) 3.566 91.509 ( 0.987 -5.045 2.843) 5.875 91.522 ( -0.675 -7.094 7.754) 10.531 93.734 ( -0.228 5.795 -0.508) 5.822 93.797 ( 0.258 6.973 0.247) 6.982 94.245 ( -2.195 -3.276 5.430) 6.711 94.376 ( 6.436 -4.461 -0.285) 7.836 94.853 ( -0.757 0.405 -3.613) 3.714 95.174 ( 0.069 -2.424 12.042) 12.284 95.585 ( -13.655 -11.602 1.324) 17.967 96.601 ( 11.176 -35.884 -3.936) 37.789 97.954 ( 0.630 2.827 0.858) 3.020 98.025 ( 2.029 0.585 1.510) 2.596 99.041 ( 2.105 9.230 -0.685) 9.492 99.236 ( 4.018 1.170 -1.221) 4.359 102.442 ( -0.165 1.495 -0.217) 1.520 102.468 ( 0.026 1.111 0.281) 1.146 102.820 ( -0.935 4.664 0.067) 4.758 102.963 ( 1.402 0.822 -0.608) 1.735 107.582 ( -0.075 0.223 -0.457) 0.514 107.598 ( -0.278 -0.070 0.322) 0.431 107.771 ( -1.866 -1.560 0.435) 2.471 107.799 ( -0.522 -1.924 -0.488) 2.052 ======================= Grid point 218 (110/126) ======================= q-point: (-0.12 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 13.189 28.556 16.463) 35.502 2.792 ( 5.528 34.574 28.023) 44.847 3.185 ( 6.614 34.457 -3.079) 35.221 4.099 ( 23.323 10.017 -0.123) 25.383 4.445 ( -26.186 48.173 -0.805) 54.836 4.594 ( -28.550 51.061 -1.407) 58.518 5.167 ( 11.278 3.537 0.665) 11.839 5.207 ( 31.226 -16.117 -6.090) 35.664 5.451 ( 11.893 7.310 -9.135) 16.683 5.676 ( 11.457 -12.216 4.229) 17.274 5.889 ( 2.325 33.367 -0.758) 33.456 6.069 ( 12.840 6.840 -7.647) 16.436 6.301 ( -5.805 -5.527 -3.484) 8.740 6.331 ( 2.114 11.001 -8.450) 14.032 6.788 ( -10.401 -3.370 6.450) 12.694 6.835 ( -1.344 -18.237 0.243) 18.288 6.927 ( 10.159 -8.759 0.524) 13.423 7.033 ( -26.174 -14.356 3.326) 30.037 7.166 ( -29.894 -13.297 -1.416) 32.748 7.337 ( -14.745 -14.684 -2.134) 20.919 7.492 ( -1.061 -9.153 1.327) 9.309 7.691 ( -11.513 -3.441 -0.299) 12.020 7.795 ( -2.936 2.592 -8.704) 9.545 8.043 ( -4.417 -2.055 -7.421) 8.877 8.308 ( 3.102 0.005 2.069) 3.728 8.398 ( 1.906 0.611 1.925) 2.777 8.475 ( -0.550 -2.463 0.743) 2.631 8.625 ( -3.589 1.840 1.700) 4.377 8.783 ( 11.104 4.996 -2.273) 12.386 8.895 ( 4.624 -3.438 -2.271) 6.194 9.090 ( 5.324 0.485 -0.674) 5.388 9.233 ( 0.714 0.606 4.684) 4.776 9.568 ( 7.618 -0.035 1.577) 7.780 9.682 ( -1.055 -5.503 3.347) 6.527 10.043 ( 2.176 -29.204 1.755) 29.338 10.138 ( -1.868 -27.344 -0.612) 27.415 10.528 ( 2.810 -0.978 0.092) 2.976 10.670 ( 2.955 3.897 0.127) 4.892 10.826 ( 3.316 -2.140 4.725) 6.157 10.945 ( 8.949 1.753 1.360) 9.220 11.042 ( 0.532 -2.560 -1.157) 2.859 11.200 ( 7.265 -16.678 0.021) 18.192 11.281 ( -0.243 -9.876 -0.898) 9.920 11.340 ( -4.957 -2.403 -1.611) 5.740 11.388 ( 4.826 -1.176 -4.880) 6.963 11.540 ( 1.648 1.126 10.663) 10.848 11.579 ( -6.304 -3.648 0.333) 7.291 11.692 ( 2.402 1.622 5.926) 6.597 11.839 ( -3.735 -2.679 3.184) 5.592 11.925 ( 5.941 12.938 -1.788) 14.349 12.107 ( 0.086 6.745 -1.900) 7.009 12.172 ( -5.884 14.379 1.121) 15.577 12.261 ( -5.378 1.307 1.643) 5.774 12.396 ( -10.031 0.008 -1.822) 10.195 12.860 ( 4.130 -1.633 -2.618) 5.155 12.941 ( -3.094 4.281 -8.018) 9.602 13.232 ( -2.096 3.556 -1.584) 4.421 13.324 ( -4.505 6.209 -0.790) 7.712 13.428 ( 5.981 11.251 3.569) 13.232 13.485 ( 5.197 10.660 -4.488) 12.680 13.773 ( -3.120 9.197 0.624) 9.731 13.824 ( -0.641 10.099 0.423) 10.128 14.198 ( -1.215 6.122 -4.166) 7.504 14.290 ( 3.852 -2.751 -7.219) 8.633 14.530 ( 4.712 -0.477 -0.147) 4.738 14.814 ( 4.730 -4.738 0.468) 6.711 14.869 ( -3.154 5.105 -5.649) 8.241 14.919 ( -7.069 3.416 0.194) 7.854 15.093 ( 0.708 -0.257 -1.296) 1.499 15.246 ( -3.260 -0.672 4.829) 5.865 15.377 ( 6.956 1.372 -4.727) 8.521 15.400 ( 1.082 -3.142 3.904) 5.127 15.711 ( 0.988 -4.061 -4.793) 6.359 15.791 ( 1.248 -0.424 2.206) 2.569 15.853 ( 4.477 -0.696 1.906) 4.915 15.951 ( 3.168 -11.293 1.362) 11.807 15.996 ( -2.728 1.698 -3.692) 4.894 16.206 ( 0.547 -0.519 0.339) 0.827 16.288 ( 0.193 -0.896 4.325) 4.422 16.453 ( -2.376 2.682 3.734) 5.175 16.650 ( 2.070 -3.134 -1.549) 4.063 16.820 ( -1.053 -2.828 2.410) 3.861 16.895 ( -1.686 -0.022 1.974) 2.596 17.238 ( -12.639 -4.167 2.304) 13.506 17.584 ( -2.521 -5.523 1.636) 6.288 17.721 ( -1.156 -8.577 0.968) 8.708 17.966 ( -2.012 -11.591 14.631) 18.774 18.204 ( 4.654 -8.449 -3.118) 10.138 18.662 ( -2.104 6.351 -1.127) 6.784 18.745 ( -1.903 6.090 -1.273) 6.506 19.033 ( 1.736 8.168 -3.328) 8.989 19.287 ( -2.625 0.664 -6.364) 6.916 19.521 ( -4.871 -0.306 -2.996) 5.726 19.565 ( -0.268 -0.542 0.065) 0.608 19.782 ( 7.666 -5.141 12.613) 15.630 20.084 ( 0.045 -14.499 1.069) 14.539 20.624 ( 4.684 3.085 0.113) 5.609 20.999 ( 3.309 7.889 -5.082) 9.950 21.324 ( -2.723 -0.214 -5.419) 6.069 21.525 ( -1.701 -14.364 -11.007) 18.176 23.834 ( -0.411 1.732 -0.599) 1.878 23.910 ( 2.166 -3.375 -1.670) 4.344 24.299 ( -2.507 8.973 -10.273) 13.869 24.421 ( 0.435 3.963 -7.837) 8.793 24.931 ( 4.185 -1.113 -3.303) 5.446 25.001 ( 0.398 -2.458 2.171) 3.304 25.190 ( 0.953 4.643 6.496) 8.041 25.504 ( -0.801 8.980 5.862) 10.754 25.567 ( 0.509 -1.323 2.489) 2.864 26.004 ( 3.255 -1.267 15.434) 15.824 26.563 ( -6.934 9.611 0.454) 11.860 26.707 ( 2.054 3.683 15.615) 16.175 27.076 ( -2.045 -1.696 -13.420) 13.680 27.566 ( 4.820 -4.564 0.486) 6.656 28.094 ( 7.031 9.049 -1.996) 11.632 28.243 ( -1.857 5.669 -6.091) 8.525 28.994 ( 6.300 0.980 9.006) 11.034 29.053 ( -3.641 -1.819 5.399) 6.761 29.440 ( 0.480 4.296 0.955) 4.427 29.620 ( -3.313 -0.699 3.145) 4.621 29.739 ( 1.969 -2.361 -9.002) 9.512 29.915 ( 2.016 -1.492 1.237) 2.796 30.204 ( -5.897 -4.746 -3.455) 8.321 30.243 ( -6.207 -1.981 -3.572) 7.431 31.490 ( 0.688 -0.556 1.938) 2.130 31.629 ( -3.720 -1.387 1.965) 4.430 31.699 ( -1.288 -0.203 -1.085) 1.696 31.811 ( -0.249 -6.075 -3.384) 6.958 32.194 ( 2.510 0.517 2.428) 3.530 32.284 ( 1.285 1.377 1.405) 2.350 32.801 ( 7.188 -5.707 -0.210) 9.180 32.849 ( 5.572 -6.795 -0.370) 8.795 33.220 ( -6.834 10.975 3.572) 13.413 33.519 ( -4.933 10.312 -10.803) 15.728 33.878 ( 3.681 0.284 1.798) 4.107 33.952 ( 0.692 3.023 0.442) 3.133 34.059 ( 1.573 3.557 0.317) 3.903 34.215 ( -1.917 4.759 0.128) 5.132 34.552 ( 0.494 -5.106 1.217) 5.273 34.617 ( 2.236 -5.917 -1.219) 6.441 35.265 ( -4.734 16.608 0.280) 17.272 35.368 ( -1.811 12.697 -4.035) 13.445 35.930 ( -2.782 -1.610 5.761) 6.597 36.229 ( 3.058 -4.160 -6.883) 8.604 91.021 ( 0.332 4.086 0.524) 4.133 91.092 ( -0.061 3.654 -0.646) 3.712 91.572 ( 1.159 -6.077 4.332) 7.553 91.614 ( -0.518 -9.718 6.893) 11.926 93.733 ( 0.498 6.151 0.121) 6.172 93.792 ( -0.728 7.290 -0.548) 7.347 94.293 ( -2.113 -3.863 6.817) 8.116 94.465 ( 6.793 -6.363 -2.111) 9.544 94.834 ( -0.699 -2.279 2.103) 3.179 95.155 ( -7.424 -6.575 -3.758) 10.605 95.677 ( 2.550 -13.184 22.909) 26.554 96.630 ( 4.315 -36.763 -9.369) 38.182 97.983 ( 0.569 2.814 2.112) 3.564 98.064 ( 1.248 0.278 0.496) 1.371 99.088 ( 4.736 6.431 -0.045) 7.987 99.249 ( 0.274 -0.436 -1.779) 1.852 102.441 ( 0.174 1.479 0.081) 1.491 102.466 ( -0.413 1.053 -0.078) 1.134 102.827 ( 1.067 4.710 0.934) 4.919 102.955 ( -0.512 1.099 -1.614) 2.019 107.579 ( 0.211 0.237 -0.200) 0.375 107.594 ( -0.541 -0.077 0.040) 0.548 107.754 ( -1.352 -0.790 0.706) 1.717 107.784 ( -0.402 -1.413 -0.725) 1.638 ======================= Grid point 219 (111/126) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.457 ( -5.936 23.811 21.657) 32.730 3.726 ( 6.841 26.136 -6.882) 27.880 4.051 ( 0.339 37.345 16.511) 40.834 4.439 ( 5.367 12.685 -8.877) 16.386 4.840 ( -13.389 -5.473 3.636) 14.915 5.020 ( -16.731 16.118 1.296) 23.268 5.062 ( 11.414 3.515 -13.210) 17.808 5.124 ( 11.989 17.587 -8.640) 22.971 5.636 ( 12.481 -30.813 6.326) 33.841 5.774 ( -9.048 -14.913 3.529) 17.797 5.844 ( 18.855 -26.089 -5.008) 32.576 5.933 ( -25.551 -16.690 -3.546) 30.724 6.179 ( 6.086 4.734 3.803) 8.597 6.330 ( -0.158 8.583 -9.738) 12.981 6.694 ( -0.297 3.639 4.674) 5.932 6.784 ( 0.020 15.738 -0.514) 15.746 6.812 ( -2.556 -0.268 -0.975) 2.749 6.855 ( 4.167 18.848 -1.876) 19.394 7.103 ( -4.069 14.980 6.660) 16.892 7.226 ( -1.100 11.400 -2.818) 11.795 7.459 ( -7.016 5.806 6.241) 11.040 7.624 ( 8.290 2.582 -4.004) 9.561 7.760 ( 4.014 2.083 -3.683) 5.832 7.850 ( -3.784 3.442 -9.143) 10.477 8.304 ( -0.872 -4.991 2.190) 5.520 8.356 ( 0.200 -4.990 -2.623) 5.641 8.509 ( 2.327 0.600 2.890) 3.758 8.551 ( -3.141 0.484 -1.303) 3.435 8.802 ( -4.466 -7.529 2.283) 9.047 8.854 ( 2.932 -6.300 -2.094) 7.258 9.137 ( 3.160 -9.005 1.546) 9.668 9.174 ( -1.971 -14.095 -1.729) 14.337 9.467 ( -2.834 -20.857 2.063) 21.150 9.498 ( 3.072 -18.973 -0.585) 19.229 9.604 ( -2.852 -7.565 2.569) 8.483 9.620 ( 4.172 -9.563 1.023) 10.483 10.727 ( 8.912 2.012 2.155) 9.387 10.770 ( -8.458 1.711 -1.734) 8.802 10.900 ( 8.149 1.111 2.909) 8.723 10.923 ( -2.773 1.117 0.750) 3.082 11.051 ( -2.924 -2.925 2.122) 4.648 11.089 ( -0.098 -3.697 -1.238) 3.900 11.202 ( 12.028 0.403 0.451) 12.043 11.217 ( -11.717 0.814 -0.972) 11.786 11.384 ( -10.476 0.816 0.594) 10.525 11.424 ( 9.000 -1.896 -2.800) 9.614 11.667 ( -2.374 -3.241 6.056) 7.267 11.750 ( 5.997 -1.332 0.765) 6.190 11.868 ( 2.687 0.310 5.638) 6.253 12.021 ( -4.669 -2.414 -6.351) 8.244 12.202 ( -1.573 0.524 3.446) 3.824 12.240 ( -4.590 -1.887 1.330) 5.138 12.400 ( -2.363 14.763 0.072) 14.952 12.431 ( 5.509 15.925 -3.106) 17.135 12.798 ( 2.391 -2.477 -0.141) 3.445 12.839 ( -5.270 -1.227 -3.983) 6.719 13.334 ( 1.658 4.910 -0.026) 5.182 13.369 ( -0.650 6.213 -3.018) 6.938 13.550 ( -6.495 3.063 0.183) 7.183 13.624 ( 7.389 2.221 -6.369) 10.005 14.009 ( -1.085 7.800 4.417) 9.029 14.074 ( 3.976 8.271 0.058) 9.178 14.186 ( 2.064 -2.656 -2.182) 4.010 14.204 ( -1.453 1.683 -4.974) 5.449 14.651 ( 4.154 2.377 3.782) 6.100 14.722 ( -5.145 -0.631 -1.380) 5.364 14.892 ( -5.384 6.707 3.112) 9.146 14.960 ( 4.258 6.043 -2.463) 7.792 15.108 ( -0.787 1.252 -0.065) 1.480 15.152 ( -0.943 -2.176 -2.613) 3.529 15.354 ( -5.803 -4.579 4.547) 8.678 15.475 ( 1.374 -1.935 -1.115) 2.622 15.583 ( 3.144 -8.185 -0.359) 8.776 15.650 ( 0.154 -9.331 -2.610) 9.691 15.771 ( 0.745 -3.692 -1.210) 3.956 15.843 ( 3.641 -4.587 -7.086) 9.193 16.128 ( 3.118 3.191 6.127) 7.579 16.206 ( -0.982 -0.345 0.266) 1.074 16.326 ( -0.083 1.476 2.259) 2.700 16.396 ( -2.409 0.198 -5.279) 5.806 16.751 ( 4.105 2.105 4.033) 6.128 16.794 ( -6.800 3.983 -0.339) 7.888 16.935 ( 5.363 -3.130 4.917) 7.920 17.038 ( -5.311 -2.293 -3.822) 6.934 17.536 ( 0.865 -2.068 6.654) 7.022 17.617 ( 0.827 -3.803 0.576) 3.934 17.853 ( -1.962 -10.612 7.753) 13.288 17.973 ( 2.514 -13.364 -2.879) 13.899 18.805 ( -0.553 6.709 1.121) 6.825 18.834 ( -0.464 5.505 -1.251) 5.664 19.161 ( 2.779 3.389 -1.186) 4.540 19.184 ( -4.025 2.213 -3.391) 5.709 19.451 ( 0.480 -2.235 0.581) 2.358 19.481 ( -2.521 -2.761 -2.132) 4.304 19.872 ( 2.016 -3.504 4.711) 6.208 19.907 ( 1.151 -5.824 1.424) 6.106 20.766 ( 5.121 0.323 1.541) 5.358 20.890 ( -3.296 -5.614 -9.901) 11.849 21.236 ( 1.630 2.531 -0.595) 3.069 21.290 ( -3.668 0.404 -5.385) 6.528 23.857 ( -1.426 2.379 2.281) 3.591 23.907 ( 1.730 0.607 -1.659) 2.472 24.336 ( -1.141 4.587 -2.850) 5.520 24.391 ( 0.532 2.263 -7.337) 7.696 24.907 ( -2.879 -2.038 1.476) 3.824 24.927 ( 1.173 -2.333 -0.714) 2.707 25.361 ( 3.747 2.211 1.992) 4.785 25.419 ( -2.663 -0.269 -3.637) 4.516 25.994 ( 6.182 5.323 15.607) 17.610 26.128 ( -1.342 -1.085 4.688) 4.996 26.666 ( -4.609 7.591 2.644) 9.265 26.749 ( -4.070 5.102 -2.626) 7.035 27.191 ( 5.840 3.103 8.515) 10.782 27.448 ( 2.217 -6.336 -9.791) 11.871 28.208 ( -0.821 3.021 -0.729) 3.215 28.238 ( -2.416 2.069 -3.312) 4.592 29.088 ( -5.231 2.273 8.911) 10.580 29.179 ( 3.960 -0.723 4.506) 6.042 29.478 ( -0.796 0.460 -3.194) 3.324 29.577 ( 1.502 -2.775 -9.881) 10.372 29.742 ( 4.570 2.686 10.522) 11.782 29.905 ( 0.915 -1.588 2.527) 3.122 29.995 ( -3.624 -1.923 -4.895) 6.387 30.095 ( -0.792 -3.673 -6.715) 7.694 31.516 ( 0.002 -0.673 3.157) 3.228 31.584 ( -0.724 -3.252 -2.419) 4.117 31.621 ( -1.146 -0.003 3.324) 3.516 31.702 ( 1.291 -2.740 -3.381) 4.539 32.286 ( 0.128 3.127 2.586) 4.060 32.346 ( 0.206 3.012 -2.888) 4.178 32.701 ( -0.798 -6.576 2.111) 6.952 32.744 ( 0.893 -6.504 -1.905) 6.835 33.490 ( -0.485 13.292 4.874) 14.166 33.612 ( -0.340 11.330 -6.497) 13.065 33.901 ( 0.317 -3.135 3.235) 4.516 33.953 ( -0.495 -2.255 -1.459) 2.731 34.201 ( 2.075 3.838 1.530) 4.623 34.237 ( -2.095 2.669 -1.880) 3.879 34.477 ( -1.927 -4.019 1.936) 4.859 34.509 ( 3.037 -5.659 -0.963) 6.494 35.531 ( -1.804 12.589 1.723) 12.834 35.591 ( 2.420 12.964 -3.790) 13.722 35.912 ( -1.866 -4.559 5.775) 7.591 36.051 ( 1.132 -7.149 -6.850) 9.966 91.147 ( 0.523 6.322 1.567) 6.534 91.173 ( -0.566 6.071 -0.814) 6.151 91.469 ( -0.028 -9.158 2.647) 9.532 91.480 ( 0.256 -8.452 1.479) 8.585 93.905 ( 0.800 8.519 1.733) 8.730 93.937 ( -0.648 9.525 -1.228) 9.625 94.235 ( -2.629 -6.661 5.811) 9.223 94.342 ( 3.611 -9.210 -3.518) 10.500 94.834 ( 0.840 -0.631 1.674) 1.976 94.923 ( -2.098 -3.810 -5.586) 7.079 95.693 ( 0.633 -9.946 12.610) 16.073 95.917 ( -0.255 -21.540 -8.205) 23.052 98.062 ( -0.116 1.776 1.942) 2.634 98.085 ( 0.046 0.587 0.017) 0.589 99.202 ( -0.660 2.324 0.390) 2.447 99.229 ( 0.676 0.800 -1.979) 2.239 102.472 ( 0.307 0.872 0.187) 0.943 102.476 ( -0.308 0.688 -0.183) 0.775 102.923 ( 0.198 2.105 1.013) 2.344 102.947 ( -0.191 0.836 -1.201) 1.476 107.585 ( 0.025 0.109 0.075) 0.134 107.587 ( -0.106 0.041 -0.071) 0.133 107.744 ( -0.128 -0.234 0.444) 0.518 107.754 ( 0.185 -0.742 -0.491) 0.909 ======================= Grid point 220 (112/126) ======================= q-point: ( 0.12 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.206 ( -33.619 25.880 1.146) 42.442 3.750 ( -6.917 20.903 -0.384) 22.021 4.024 ( -20.630 18.093 -8.776) 28.809 4.237 ( -4.263 21.390 -10.211) 24.082 4.571 ( -28.884 -11.379 16.374) 35.098 4.946 ( -26.294 -7.418 4.392) 27.671 5.109 ( 2.972 -12.094 -2.871) 12.780 5.323 ( 1.411 -2.968 -0.158) 3.290 5.378 ( 8.153 11.638 -6.111) 15.468 5.604 ( 25.725 19.807 -2.391) 32.554 5.937 ( -6.641 8.999 6.480) 12.926 6.224 ( 2.192 -2.104 -0.785) 3.138 6.362 ( 22.901 -12.869 -0.986) 26.288 6.619 ( 34.689 -15.133 -0.508) 37.850 6.703 ( -1.082 0.392 -0.593) 1.295 6.743 ( 5.479 -10.764 0.492) 12.089 6.816 ( 5.639 26.154 1.554) 26.800 6.934 ( 8.860 19.877 -2.713) 21.931 7.163 ( 0.741 8.587 4.516) 9.730 7.238 ( 5.056 8.500 3.380) 10.451 7.413 ( -6.235 5.854 3.037) 9.076 7.703 ( 11.421 4.159 -6.692) 13.875 7.780 ( 5.385 0.852 -3.638) 6.554 7.881 ( 8.758 5.746 6.265) 12.206 8.297 ( -2.020 -3.386 0.856) 4.035 8.355 ( 1.573 -5.030 -0.094) 5.271 8.501 ( -0.694 -0.391 -0.903) 1.205 8.589 ( 2.213 -0.472 1.452) 2.689 8.771 ( -3.882 -3.650 4.187) 6.777 8.841 ( -2.079 -3.526 -1.840) 4.488 9.052 ( -9.748 -8.144 -2.364) 12.921 9.179 ( -0.297 -15.716 0.732) 15.735 9.431 ( -4.572 -26.589 1.016) 26.999 9.508 ( -0.583 -17.867 -1.409) 17.932 9.567 ( -2.821 -2.884 -0.672) 4.090 9.660 ( 2.064 -11.800 -2.125) 12.166 10.498 ( -21.715 -1.566 -1.794) 21.845 10.667 ( -22.367 -3.945 -0.626) 22.721 10.785 ( -11.637 -3.649 -1.614) 12.302 10.927 ( -0.829 -2.603 -0.800) 2.847 11.031 ( -4.648 -0.498 1.314) 4.856 11.090 ( -1.024 -2.677 -1.328) 3.159 11.164 ( 3.402 0.267 -1.015) 3.560 11.224 ( -10.825 0.718 2.055) 11.042 11.418 ( 11.975 0.994 -0.238) 12.019 11.504 ( 3.790 -2.170 1.776) 4.714 11.685 ( -2.926 0.550 -2.319) 3.774 11.765 ( 3.803 -4.141 -5.055) 7.561 11.897 ( 7.790 6.235 0.336) 9.984 12.095 ( 5.599 4.312 4.339) 8.293 12.226 ( -0.739 5.963 2.972) 6.704 12.278 ( 8.597 -1.665 1.141) 8.831 12.415 ( 4.512 9.883 -0.385) 10.870 12.529 ( 9.399 11.775 -1.252) 15.118 12.735 ( -5.560 -2.415 0.663) 6.098 12.863 ( 3.063 -1.988 4.223) 5.583 13.305 ( 0.283 6.724 -1.361) 6.866 13.384 ( -1.058 1.765 1.800) 2.734 13.529 ( 3.399 5.448 2.002) 6.727 13.664 ( 5.050 4.865 -3.089) 7.662 14.011 ( -3.398 10.150 0.454) 10.713 14.066 ( -0.014 5.600 -5.705) 7.994 14.145 ( -1.863 -0.978 -0.620) 2.194 14.212 ( 2.705 1.142 1.809) 3.449 14.577 ( -7.972 1.130 -1.698) 8.229 14.709 ( -4.082 -3.574 1.686) 5.682 14.873 ( -3.739 8.472 5.626) 10.835 14.976 ( 0.591 2.970 -3.928) 4.960 15.133 ( 2.872 0.985 2.507) 3.937 15.182 ( 6.078 -0.348 2.622) 6.629 15.297 ( -7.886 0.188 3.526) 8.641 15.489 ( -7.169 -1.036 -1.610) 7.420 15.541 ( 6.352 -10.713 -1.686) 12.568 15.691 ( 1.919 -9.052 -1.554) 9.383 15.794 ( 2.680 -4.398 2.573) 5.757 15.823 ( 4.348 -3.729 -6.021) 8.310 16.123 ( -3.778 3.136 -5.425) 7.317 16.204 ( -0.940 -0.051 1.173) 1.504 16.332 ( -0.717 0.525 0.415) 0.981 16.394 ( 2.359 -3.429 3.768) 5.614 16.630 ( -9.082 4.371 0.412) 10.088 16.849 ( -6.925 -4.364 -2.678) 8.612 16.913 ( 6.554 4.127 2.001) 8.000 17.159 ( 10.833 -3.192 2.723) 11.617 17.602 ( 1.038 -2.990 -1.734) 3.609 17.611 ( 2.610 -2.237 -1.868) 3.912 17.886 ( -3.090 -12.158 3.304) 12.972 17.962 ( 2.690 -11.662 -5.244) 13.066 18.800 ( -1.772 5.885 0.482) 6.165 18.816 ( -1.436 4.802 1.045) 5.120 19.110 ( -2.098 4.935 0.666) 5.403 19.220 ( 2.974 0.735 1.560) 3.437 19.469 ( 3.205 -0.768 0.902) 3.417 19.507 ( 3.569 -2.648 2.399) 5.050 19.883 ( -2.086 -3.861 -4.358) 6.185 19.897 ( -1.634 -5.749 -1.132) 6.083 20.721 ( -4.803 1.180 -5.039) 7.061 20.872 ( 2.829 -5.619 4.591) 7.788 21.200 ( -3.010 2.659 -0.230) 4.023 21.291 ( 2.310 -0.179 4.119) 4.726 23.864 ( -1.659 2.501 2.182) 3.711 23.899 ( 1.229 1.193 -2.663) 3.166 24.325 ( -0.848 3.779 1.922) 4.324 24.353 ( 1.095 2.443 0.822) 2.800 24.870 ( -3.149 0.274 1.725) 3.601 24.967 ( 2.427 -3.659 0.247) 4.397 25.356 ( 0.515 3.319 -2.687) 4.301 25.455 ( 5.182 -0.755 1.713) 5.510 25.999 ( -8.344 5.435 -10.180) 14.241 26.136 ( -2.880 -1.939 0.111) 3.473 26.714 ( 0.659 5.727 5.616) 8.048 26.762 ( 6.067 7.925 6.060) 11.677 27.234 ( -4.212 0.042 -15.324) 15.893 27.380 ( 2.918 -3.817 4.639) 6.679 28.182 ( -2.797 3.748 1.600) 4.943 28.229 ( 0.014 1.956 3.075) 3.644 29.090 ( -6.667 2.320 3.606) 7.927 29.203 ( -0.404 -1.968 -6.048) 6.373 29.457 ( -2.082 -0.806 4.216) 4.771 29.519 ( 2.449 -1.204 -0.968) 2.895 29.768 ( -2.153 4.771 -6.501) 8.346 29.932 ( 0.470 -1.470 -2.928) 3.309 30.040 ( 7.704 -3.061 3.430) 8.972 30.091 ( 5.031 -5.150 4.157) 8.314 31.521 ( -0.703 0.426 -0.385) 0.908 31.612 ( 4.512 -3.153 1.392) 5.678 31.653 ( -0.099 -0.373 2.323) 2.354 31.684 ( 1.985 -2.684 -2.639) 4.255 32.280 ( -3.365 3.395 -0.655) 4.825 32.319 ( -0.940 1.427 0.274) 1.731 32.683 ( -4.763 -4.885 1.178) 6.923 32.705 ( -2.928 -6.472 -1.369) 7.235 33.528 ( -0.085 11.336 -0.929) 11.374 33.593 ( 3.389 11.627 2.346) 12.337 33.888 ( -2.719 -1.540 -0.711) 3.205 33.974 ( 2.547 -2.409 0.559) 3.550 34.154 ( -4.218 3.908 -0.756) 5.800 34.277 ( 3.348 1.087 1.028) 3.667 34.446 ( -3.446 -3.510 -0.055) 4.919 34.529 ( 1.828 -4.760 -1.690) 5.371 35.547 ( 0.215 12.306 2.427) 12.544 35.595 ( 3.954 12.108 -2.897) 13.063 35.955 ( -2.059 -5.616 2.998) 6.691 36.001 ( 1.694 -5.650 -1.758) 6.155 91.146 ( -0.955 6.680 -0.786) 6.794 91.177 ( 0.821 6.029 0.672) 6.122 91.479 ( -0.426 -8.537 -0.567) 8.567 91.490 ( 0.304 -9.554 -0.590) 9.577 93.895 ( -1.536 8.443 -0.741) 8.614 93.953 ( 2.036 9.865 0.412) 10.081 94.233 ( -4.511 -7.275 2.072) 8.807 94.351 ( 4.112 -7.555 -3.826) 9.414 94.845 ( -0.390 -2.704 -3.579) 4.503 94.913 ( 2.827 -4.604 6.057) 8.116 95.768 ( -2.843 -13.114 -8.959) 16.135 95.834 ( -1.157 -17.286 7.583) 18.912 98.070 ( -0.963 1.461 -0.492) 1.818 98.077 ( -0.538 1.122 0.170) 1.256 99.176 ( -2.552 3.447 0.479) 4.315 99.230 ( 0.479 0.158 -0.161) 0.530 102.469 ( -0.177 0.994 -0.166) 1.023 102.479 ( 0.371 0.542 0.166) 0.677 102.915 ( -1.054 2.509 -0.271) 2.735 102.951 ( 0.809 0.546 0.300) 1.021 107.582 ( -0.212 0.301 0.049) 0.371 107.591 ( 0.401 -0.157 0.057) 0.435 107.749 ( 0.233 -0.434 0.214) 0.536 107.755 ( 0.675 -0.731 -0.279) 1.034 ======================= Grid point 221 (113/126) ======================= q-point: ( 0.25 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.760 ( -24.917 17.163 -1.096) 30.276 3.470 ( -25.717 9.064 -3.005) 27.433 3.586 ( -19.691 1.682 -11.578) 22.904 3.859 ( -6.885 21.274 -20.329) 30.220 4.329 ( -33.821 -12.554 -7.404) 36.828 4.519 ( -27.682 0.796 12.713) 30.472 5.146 ( -2.085 -12.028 7.546) 14.352 5.287 ( 4.709 -14.125 2.910) 15.171 5.705 ( 4.223 18.211 10.742) 21.561 6.024 ( 30.742 30.392 0.323) 43.230 6.110 ( 10.688 8.901 -1.851) 14.031 6.202 ( 13.076 14.857 3.738) 20.141 6.421 ( -3.895 2.436 -0.722) 4.650 6.590 ( -5.530 -2.377 -3.792) 7.114 6.820 ( 6.519 13.594 -1.022) 15.111 6.905 ( 4.871 29.262 3.152) 29.832 7.107 ( 17.758 3.377 -0.410) 18.081 7.274 ( 5.512 -2.427 4.966) 7.806 7.288 ( 29.253 -9.233 -0.270) 30.677 7.363 ( 4.511 0.105 6.251) 7.710 7.505 ( 23.116 4.855 -2.194) 23.722 7.835 ( 13.725 2.042 1.204) 13.928 7.861 ( 7.246 -1.508 -0.047) 7.402 8.076 ( 6.087 2.145 5.028) 8.181 8.302 ( 3.048 -2.161 -0.630) 3.789 8.362 ( -1.546 -0.877 0.003) 1.778 8.474 ( -2.839 2.226 -2.222) 4.237 8.618 ( -0.465 0.680 4.749) 4.820 8.717 ( -9.780 1.489 -2.295) 10.156 8.800 ( -2.807 0.170 2.662) 3.873 8.897 ( -2.197 -12.807 -2.320) 13.200 9.142 ( -8.258 -7.489 0.917) 11.186 9.351 ( -7.610 -25.672 -0.282) 26.778 9.440 ( -3.455 -15.990 -1.311) 16.411 9.565 ( 3.904 -16.154 -1.010) 16.650 9.635 ( 1.732 -10.312 -4.798) 11.505 10.135 ( -27.269 -9.084 -0.697) 28.751 10.294 ( -24.104 -15.033 0.437) 28.411 10.550 ( -17.018 -8.458 -0.573) 19.012 10.726 ( -23.461 -9.897 -2.675) 25.603 10.979 ( -1.004 0.754 0.001) 1.256 11.048 ( -1.765 2.635 -4.782) 5.738 11.120 ( -0.528 -0.456 -3.062) 3.141 11.217 ( 0.672 -0.808 0.954) 1.419 11.449 ( -1.323 -0.014 -5.729) 5.879 11.576 ( 6.982 -5.131 -0.682) 8.692 11.693 ( 4.471 3.236 0.967) 5.603 11.779 ( 5.584 -2.154 -1.640) 6.206 12.065 ( 9.875 10.351 -1.499) 14.384 12.251 ( 8.793 6.970 3.403) 11.725 12.278 ( 7.428 12.915 1.182) 14.946 12.378 ( 1.934 4.759 -1.130) 5.260 12.442 ( 1.329 6.651 -1.182) 6.885 12.671 ( 3.947 5.182 2.351) 6.925 12.692 ( -1.938 -2.694 3.334) 4.704 12.994 ( 6.032 -0.827 5.710) 8.347 13.344 ( 4.142 5.647 1.804) 7.232 13.426 ( 3.231 5.514 3.662) 7.366 13.606 ( 2.180 6.724 -3.596) 7.931 13.673 ( 0.347 8.955 3.180) 9.509 13.972 ( -2.091 3.805 -3.752) 5.738 13.989 ( 1.206 9.097 0.341) 9.183 14.119 ( -2.488 -1.924 1.795) 3.621 14.306 ( 3.564 1.365 5.222) 6.468 14.483 ( -4.007 0.386 0.047) 4.026 14.597 ( -8.496 -5.301 -1.420) 10.114 14.917 ( -2.813 3.198 7.489) 8.616 14.949 ( -0.600 0.733 0.416) 1.035 15.155 ( -6.975 4.190 3.131) 8.718 15.238 ( -5.666 -2.362 4.261) 7.472 15.346 ( 1.994 -0.084 -8.458) 8.690 15.355 ( 6.443 0.079 1.544) 6.626 15.603 ( -0.988 -8.700 3.226) 9.331 15.686 ( 4.512 -2.127 -3.168) 5.909 15.780 ( -2.027 -1.096 -4.100) 4.704 15.855 ( 0.304 -1.973 1.131) 2.294 16.059 ( 2.915 0.363 -1.535) 3.315 16.160 ( -2.996 -2.966 0.025) 4.216 16.317 ( 0.002 0.849 -1.613) 1.823 16.476 ( -3.714 -2.884 5.282) 7.072 16.564 ( 2.445 2.259 -1.228) 3.548 16.738 ( -3.321 -3.937 -3.347) 6.142 17.002 ( 3.282 3.481 1.142) 4.919 17.317 ( 5.817 -5.013 2.018) 7.939 17.562 ( 3.575 -4.682 -7.029) 9.171 17.619 ( 2.003 -6.115 -4.695) 7.966 17.835 ( 0.526 -10.759 -7.246) 12.982 17.924 ( -1.465 -9.549 -2.106) 9.888 18.780 ( -1.969 4.810 0.883) 5.272 18.815 ( -1.538 2.050 2.238) 3.403 19.129 ( 0.181 6.196 3.584) 7.160 19.268 ( 0.447 0.204 2.187) 2.242 19.577 ( 3.073 0.486 0.235) 3.120 19.597 ( 5.519 1.247 4.243) 7.072 19.749 ( -2.154 -2.157 -8.203) 8.751 19.834 ( -2.024 -9.345 -2.301) 9.835 20.662 ( -0.757 5.877 3.080) 6.678 20.965 ( -0.415 -5.186 7.690) 9.285 21.193 ( -2.147 1.104 3.971) 4.647 21.376 ( 0.395 -2.546 4.770) 5.421 23.861 ( -1.393 2.213 1.008) 2.802 23.889 ( 1.250 0.542 -1.338) 1.910 24.377 ( -0.075 4.779 8.094) 9.400 24.423 ( 0.363 1.917 7.192) 7.451 24.865 ( -1.347 1.884 2.302) 3.266 24.967 ( -0.820 -1.459 -2.976) 3.415 25.366 ( 5.342 4.580 -3.002) 7.650 25.545 ( 4.246 -2.465 1.215) 5.058 25.746 ( -5.049 7.953 -10.748) 14.292 25.990 ( -6.235 -3.814 -9.155) 11.715 26.742 ( -1.495 2.847 -1.405) 3.509 26.835 ( -3.558 -0.716 -14.536) 14.982 27.123 ( 8.408 8.342 8.916) 14.825 27.431 ( 0.445 -5.167 0.116) 5.188 28.160 ( -5.611 8.080 2.015) 10.041 28.283 ( -0.703 2.482 6.199) 6.714 28.967 ( -6.674 0.108 -6.766) 9.504 29.056 ( -3.388 -4.148 -9.316) 10.746 29.521 ( 0.691 1.184 6.903) 7.037 29.613 ( 2.734 -1.343 7.060) 7.689 29.698 ( 1.511 3.081 -3.740) 5.076 29.900 ( 3.165 -0.585 -3.259) 4.581 30.138 ( 1.801 -3.947 1.061) 4.466 30.246 ( 5.889 -5.025 3.179) 8.369 31.528 ( 2.607 1.680 -0.443) 3.133 31.668 ( 3.181 -1.029 -2.409) 4.121 31.689 ( 0.691 -3.912 2.333) 4.607 31.714 ( 3.575 -0.904 1.465) 3.967 32.220 ( -2.897 3.413 -0.430) 4.497 32.294 ( -3.361 1.131 0.653) 3.606 32.598 ( -6.102 -3.911 -1.351) 7.373 32.637 ( -5.658 -5.027 0.233) 7.572 33.518 ( 2.489 8.573 -2.424) 9.250 33.689 ( 0.449 6.568 5.693) 8.704 33.846 ( -0.302 2.327 -1.191) 2.632 34.005 ( 1.312 -0.019 -0.370) 1.364 34.099 ( -2.822 4.119 0.617) 5.031 34.330 ( 1.918 -0.969 1.266) 2.494 34.388 ( -2.866 -3.001 -1.330) 4.357 34.524 ( 1.063 -4.739 -2.026) 5.262 35.586 ( 0.771 10.597 2.055) 10.822 35.625 ( 4.290 9.951 -2.030) 11.025 35.947 ( 1.223 -3.410 -0.801) 3.710 36.037 ( -1.274 -5.306 4.379) 6.997 91.126 ( -0.378 6.598 -0.699) 6.645 91.186 ( 0.051 5.641 -0.460) 5.659 91.451 ( -0.401 -7.817 -2.688) 8.276 91.470 ( 0.146 -9.224 -2.970) 9.691 93.871 ( -0.602 7.741 -0.438) 7.777 93.974 ( 1.065 9.626 -1.053) 9.741 94.184 ( -3.355 -6.890 0.216) 7.667 94.346 ( 2.511 -6.438 -5.061) 8.565 94.821 ( 0.023 0.403 0.487) 0.633 95.062 ( 4.643 -8.180 8.127) 12.431 95.599 ( -1.391 -5.856 -10.887) 12.440 95.877 ( -4.625 -21.303 4.925) 22.349 98.038 ( -1.019 2.026 -1.673) 2.818 98.063 ( -1.096 0.716 -0.676) 1.473 99.156 ( -1.465 4.747 1.122) 5.093 99.229 ( -1.356 0.324 0.906) 1.663 102.467 ( 0.033 1.157 -0.021) 1.157 102.485 ( 0.205 0.346 0.016) 0.402 102.904 ( 0.007 3.088 -0.216) 3.095 102.960 ( -0.292 0.075 0.409) 0.508 107.582 ( -0.043 0.425 0.206) 0.475 107.597 ( 0.332 -0.309 -0.008) 0.454 107.756 ( 0.592 -0.621 -0.034) 0.859 107.763 ( 0.651 -1.008 -0.043) 1.201 ======================= Grid point 222 (114/126) ======================= q-point: ( 0.38 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( -4.744 2.689 -2.217) 5.887 2.981 ( -31.370 -13.890 -4.466) 34.597 3.270 ( -3.256 9.631 -9.025) 13.594 3.593 ( -12.274 8.033 -10.352) 17.954 3.844 ( -7.661 11.866 -9.308) 16.915 4.194 ( -24.932 12.690 -1.106) 27.997 5.224 ( 1.118 -20.881 5.191) 21.545 5.413 ( 1.076 -21.804 4.509) 22.292 5.845 ( -2.586 11.721 13.748) 18.250 6.015 ( -5.586 3.899 1.200) 6.917 6.326 ( -2.593 5.176 -0.195) 5.792 6.387 ( -1.928 1.344 -1.610) 2.849 6.636 ( 28.353 28.435 4.903) 40.453 6.661 ( 24.563 38.067 -0.240) 45.304 6.908 ( 6.069 23.156 -0.144) 23.939 7.013 ( 5.077 29.539 3.010) 30.123 7.306 ( 8.957 4.518 1.735) 10.180 7.315 ( -1.732 5.393 4.805) 7.428 7.478 ( 9.503 0.483 2.618) 9.869 7.621 ( 8.575 7.477 -4.003) 12.061 7.831 ( 14.109 -1.928 2.064) 14.389 7.925 ( -1.602 -0.284 0.917) 1.868 8.045 ( 6.223 -2.851 0.974) 6.914 8.153 ( -8.279 -1.091 0.720) 8.382 8.284 ( -0.140 -0.044 -3.412) 3.415 8.372 ( 8.990 -1.381 -0.312) 9.101 8.437 ( 11.340 -1.869 -0.762) 11.518 8.689 ( -3.211 -4.555 1.630) 5.807 8.705 ( 8.883 0.369 2.224) 9.165 8.759 ( 5.714 -8.758 -0.026) 10.457 8.875 ( -1.414 -11.002 -5.817) 12.525 8.975 ( -12.206 -1.210 3.365) 12.719 9.196 ( -12.120 -23.861 -1.375) 26.798 9.447 ( 0.301 -21.711 1.154) 21.744 9.566 ( -6.999 -6.923 1.284) 9.928 9.666 ( 4.820 -12.216 -2.509) 13.370 9.725 ( -17.024 -15.077 1.833) 22.815 10.054 ( -10.419 -26.766 1.297) 28.752 10.290 ( -22.993 -11.008 -0.346) 25.494 10.337 ( -18.646 -13.671 -2.166) 23.222 10.931 ( -1.154 3.632 -7.740) 8.628 10.975 ( 1.290 0.112 -1.502) 1.984 11.081 ( -0.464 -2.122 -3.251) 3.910 11.145 ( -4.360 -3.717 -6.104) 8.371 11.448 ( 5.920 4.833 0.114) 7.643 11.686 ( -1.763 -0.344 -1.115) 2.114 11.691 ( 8.334 -4.005 -0.774) 9.279 11.872 ( 2.621 -3.883 1.278) 4.856 12.152 ( 6.833 9.090 -1.593) 11.483 12.284 ( -0.319 6.910 -1.532) 7.085 12.374 ( 1.126 7.390 -3.464) 8.239 12.436 ( 1.324 9.825 7.330) 12.330 12.496 ( 1.709 6.212 -3.187) 7.188 12.635 ( 3.953 2.979 2.906) 5.740 12.780 ( 1.961 6.112 0.865) 6.477 13.088 ( -5.500 6.478 0.389) 8.506 13.413 ( 6.328 14.456 0.912) 15.806 13.531 ( 6.995 4.363 2.620) 8.650 13.655 ( 1.266 5.456 2.904) 6.309 13.715 ( 2.672 -1.937 2.673) 4.247 13.924 ( -1.038 2.442 0.089) 2.655 14.044 ( 0.053 8.953 4.392) 9.973 14.159 ( 3.411 3.887 3.941) 6.502 14.402 ( -1.495 -7.795 1.635) 8.104 14.465 ( 1.883 5.947 4.494) 7.688 14.501 ( -2.908 0.233 1.271) 3.182 14.895 ( -15.530 8.136 6.539) 18.712 14.957 ( 2.830 -1.043 -1.685) 3.455 15.111 ( 0.235 2.375 -0.099) 2.389 15.196 ( -6.352 -6.495 0.031) 9.085 15.229 ( -2.757 -4.808 -0.748) 5.592 15.460 ( 6.550 -6.977 -5.000) 10.798 15.607 ( -1.419 -0.600 -0.606) 1.655 15.688 ( -1.883 -1.735 0.412) 2.594 15.759 ( -0.019 4.783 3.798) 6.108 15.888 ( 5.425 1.942 2.185) 6.162 16.103 ( 2.988 -2.087 -2.246) 4.281 16.168 ( 0.945 -6.753 3.408) 7.623 16.318 ( 0.775 3.648 2.033) 4.248 16.396 ( -4.690 8.552 -5.419) 11.158 16.613 ( 0.479 -3.156 0.356) 3.211 16.663 ( -1.051 -7.257 -2.342) 7.698 17.045 ( 1.655 -2.554 -0.609) 3.104 17.317 ( -4.339 -13.518 -6.584) 15.650 17.538 ( 7.218 -6.456 -7.600) 12.310 17.582 ( 3.836 -6.000 -4.646) 8.503 17.781 ( 2.059 -4.285 -4.072) 6.260 17.859 ( -4.289 -7.148 -1.460) 8.463 18.772 ( -1.503 3.156 2.065) 4.060 18.824 ( -0.636 0.237 1.300) 1.466 19.185 ( 0.123 6.447 4.202) 7.696 19.285 ( -0.938 2.249 0.621) 2.515 19.527 ( -1.922 1.785 -5.245) 5.865 19.571 ( -3.044 2.231 -4.828) 6.128 19.803 ( 6.517 -4.659 2.926) 8.529 19.839 ( 2.335 -9.202 1.714) 9.647 20.781 ( 5.020 6.390 10.350) 13.159 21.063 ( -0.847 -2.333 9.244) 9.572 21.216 ( -2.115 -0.024 4.013) 4.536 21.391 ( -3.342 -2.065 0.091) 3.929 23.863 ( -0.616 1.737 1.910) 2.654 23.900 ( 1.528 -0.012 -0.309) 1.559 24.493 ( -0.608 2.953 7.313) 7.910 24.529 ( -1.737 1.906 10.525) 10.836 24.867 ( -3.192 2.772 2.162) 4.748 24.918 ( 1.355 1.442 0.771) 2.124 25.388 ( 7.025 4.758 -9.626) 12.831 25.602 ( 4.793 -1.732 -2.293) 5.588 25.644 ( -0.422 2.497 -0.123) 2.535 25.768 ( -4.993 -1.402 -12.193) 13.250 26.518 ( -7.609 4.148 -12.215) 14.977 26.670 ( -3.316 -1.694 -9.062) 9.798 27.408 ( 10.348 3.498 6.520) 12.721 27.473 ( 5.161 -0.899 5.725) 7.760 28.034 ( -10.261 11.464 -2.589) 15.601 28.320 ( -5.081 -1.382 1.893) 5.596 28.791 ( -2.913 0.972 -5.470) 6.273 28.937 ( -0.457 -5.256 -4.586) 6.990 29.623 ( 1.352 0.690 5.867) 6.061 29.694 ( 1.095 0.058 -0.253) 1.126 29.741 ( 3.598 2.674 4.832) 6.592 29.912 ( 1.686 3.912 -3.084) 5.259 30.163 ( 2.141 -6.221 0.396) 6.591 30.298 ( -0.459 -7.214 -0.836) 7.277 31.582 ( 4.412 1.343 0.422) 4.631 31.682 ( 1.139 -3.382 -1.259) 3.784 31.721 ( 1.609 1.446 1.187) 2.467 31.767 ( 0.726 -0.918 0.670) 1.348 32.204 ( -0.536 1.950 1.704) 2.645 32.253 ( -2.235 -0.210 0.200) 2.254 32.496 ( -4.455 -2.680 -1.716) 5.475 32.549 ( -5.714 -3.979 -0.818) 7.011 33.544 ( 4.006 6.544 -0.822) 7.717 33.697 ( -4.685 1.512 1.239) 5.077 33.877 ( 2.313 6.661 2.275) 7.409 34.001 ( -0.059 1.720 -1.422) 2.233 34.097 ( -0.502 3.565 3.104) 4.753 34.326 ( 0.052 2.663 -4.330) 5.083 34.377 ( -0.679 -7.046 3.851) 8.058 34.511 ( 1.035 -5.085 -2.420) 5.726 35.615 ( 0.275 8.915 1.423) 9.032 35.658 ( 3.130 8.053 -1.664) 8.798 35.979 ( 2.362 -2.302 1.386) 3.577 36.056 ( -2.464 -4.206 2.854) 5.649 91.120 ( 0.318 5.940 -0.240) 5.953 91.168 ( -0.726 5.103 -1.457) 5.357 91.407 ( -0.475 -6.488 -2.977) 7.154 91.427 ( 0.330 -7.972 -3.918) 8.889 93.869 ( 0.332 7.180 0.366) 7.197 93.957 ( -0.148 8.301 -2.316) 8.620 94.154 ( -2.169 -5.055 1.360) 5.667 94.299 ( 1.778 -6.003 -6.741) 9.200 94.861 ( 0.147 4.389 5.544) 7.073 95.202 ( 2.651 -5.313 1.803) 6.205 95.500 ( 3.180 -8.611 -3.782) 9.928 95.828 ( -6.361 -21.835 0.368) 22.746 98.006 ( -0.657 2.148 -1.301) 2.596 98.033 ( -0.914 0.733 -1.560) 1.951 99.163 ( 0.068 4.754 1.493) 4.983 99.216 ( -1.941 1.605 0.971) 2.699 102.470 ( 0.171 1.134 0.158) 1.157 102.485 ( -0.018 0.433 -0.158) 0.461 102.910 ( 0.999 2.662 0.053) 2.844 102.953 ( -1.169 0.458 0.157) 1.265 107.585 ( 0.033 0.390 0.366) 0.536 107.600 ( 0.156 -0.280 -0.135) 0.348 107.764 ( 0.408 -0.885 0.073) 0.978 107.770 ( 0.460 -1.227 -0.157) 1.320 ======================= Grid point 223 (115/126) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( -8.832 -7.075 1.433) 11.407 2.619 ( 8.281 -10.808 -6.003) 14.880 3.246 ( -8.546 4.134 -3.854) 10.246 3.272 ( 8.230 2.736 -5.507) 10.273 3.833 ( -11.883 19.942 0.443) 23.218 3.904 ( 13.042 21.131 -6.470) 25.661 5.267 ( -9.918 -26.763 8.187) 29.693 5.442 ( 11.438 -30.121 -7.785) 33.147 5.972 ( -2.325 11.130 7.645) 13.701 6.010 ( 2.017 10.309 3.121) 10.958 6.294 ( -3.389 8.892 2.374) 9.808 6.344 ( 2.696 4.306 -2.637) 5.724 6.855 ( -3.084 30.664 4.839) 31.197 6.925 ( 0.870 29.383 -1.914) 29.458 7.040 ( 7.357 27.197 5.133) 28.639 7.104 ( -1.038 25.676 0.036) 25.697 7.360 ( -3.658 12.985 2.241) 13.675 7.421 ( 1.223 16.053 -3.220) 16.418 7.503 ( -7.078 6.522 6.399) 11.558 7.648 ( 5.671 7.020 -5.316) 10.474 7.776 ( -8.627 0.948 5.004) 10.018 7.879 ( 5.991 2.673 -3.166) 7.284 8.105 ( 0.563 -0.352 2.850) 2.926 8.204 ( -0.367 3.461 -5.128) 6.197 8.281 ( 13.311 -6.470 5.197) 15.686 8.401 ( -13.552 -4.992 -3.284) 14.811 8.550 ( -1.817 -6.488 0.217) 6.741 8.612 ( -0.457 -12.282 -3.586) 12.803 8.746 ( -1.809 -0.698 4.066) 4.505 8.828 ( 4.078 -6.634 -3.351) 8.478 8.966 ( -0.780 -16.070 0.988) 16.119 8.990 ( -3.136 -20.633 -1.254) 20.907 9.106 ( -16.153 -12.146 1.697) 20.280 9.137 ( 20.316 -12.011 -1.043) 23.624 9.610 ( -1.189 -14.789 4.291) 15.445 9.697 ( -0.175 -15.119 -3.446) 15.508 9.797 ( 8.464 -6.432 7.410) 12.958 9.963 ( -4.866 -7.836 -7.426) 11.842 10.061 ( 3.588 -25.277 4.287) 25.887 10.141 ( -3.751 -25.583 -2.671) 25.994 10.853 ( -1.035 2.219 -1.962) 3.138 10.945 ( 2.634 -2.306 -9.158) 9.805 11.036 ( 1.204 -1.014 -0.504) 1.653 11.048 ( -2.699 -1.182 -1.154) 3.164 11.546 ( 1.517 5.444 2.800) 6.307 11.610 ( -0.785 3.271 -2.928) 4.460 11.823 ( 4.733 -7.319 0.261) 8.720 11.831 ( -4.549 -8.340 -0.638) 9.521 12.244 ( 2.740 8.842 0.962) 9.307 12.272 ( -0.104 7.403 -1.063) 7.480 12.322 ( -0.557 6.476 0.142) 6.502 12.358 ( -7.926 3.866 -2.348) 9.126 12.583 ( 5.075 7.940 6.957) 11.713 12.721 ( -2.273 4.375 -3.834) 6.245 12.865 ( 12.348 11.540 0.509) 16.909 12.891 ( -14.674 10.039 -0.937) 17.804 13.565 ( -2.975 14.310 2.556) 14.838 13.574 ( 3.563 11.250 2.111) 11.988 13.691 ( -9.584 0.145 2.155) 9.824 13.753 ( 12.907 -4.279 -2.004) 13.744 13.997 ( -1.424 2.876 4.357) 5.411 14.055 ( 2.625 3.986 -0.824) 4.843 14.269 ( 2.185 3.858 4.283) 6.165 14.359 ( -0.279 2.058 -3.319) 3.916 14.557 ( -0.012 0.751 6.902) 6.943 14.595 ( 6.123 0.820 4.015) 7.368 14.740 ( -10.492 9.997 5.215) 15.402 14.913 ( 0.358 6.903 -9.322) 11.605 15.091 ( -9.238 -6.797 2.247) 11.687 15.130 ( 6.288 -6.269 -1.693) 9.039 15.270 ( 1.746 -6.111 5.166) 8.191 15.406 ( -0.066 -8.438 -8.116) 11.708 15.624 ( 0.709 1.508 3.643) 4.005 15.704 ( 1.454 -0.663 -1.738) 2.362 15.799 ( -0.318 6.090 8.387) 10.370 16.031 ( -1.180 2.041 -4.437) 5.024 16.061 ( 5.812 -0.057 0.456) 5.830 16.180 ( -1.243 0.851 -5.556) 5.756 16.338 ( 0.868 2.251 6.208) 6.661 16.383 ( 0.954 4.061 3.944) 5.741 16.559 ( -1.463 -1.406 -2.895) 3.535 16.643 ( -0.604 -8.507 -3.451) 9.200 17.007 ( -5.867 -11.149 0.090) 12.598 17.140 ( 0.983 -16.807 -10.670) 19.932 17.556 ( -3.543 -3.795 -1.020) 5.291 17.600 ( 7.500 -6.361 -3.645) 10.488 17.759 ( -2.974 -2.904 1.011) 4.278 17.799 ( 1.098 -4.802 -2.107) 5.358 18.789 ( -0.385 1.746 2.561) 3.123 18.825 ( -0.061 0.010 -0.404) 0.409 19.226 ( -0.589 5.049 2.921) 5.863 19.266 ( -0.459 3.020 -0.928) 3.192 19.472 ( -0.115 2.175 -1.329) 2.552 19.487 ( -1.470 2.675 -2.510) 3.952 19.879 ( 0.428 -7.138 1.156) 7.243 19.891 ( 1.890 -6.687 0.076) 6.950 21.032 ( 7.376 3.172 12.681) 15.009 21.158 ( -1.190 -2.236 5.728) 6.263 21.226 ( -1.017 1.947 0.772) 2.329 21.285 ( -4.269 1.491 -5.221) 6.907 23.884 ( -0.811 1.066 2.385) 2.736 23.917 ( 1.281 -0.002 -0.634) 1.429 24.538 ( 0.647 0.314 1.565) 1.722 24.552 ( -3.378 0.354 1.302) 3.637 24.966 ( -0.358 3.760 15.644) 16.094 25.025 ( 1.690 1.000 11.726) 11.889 25.325 ( 5.843 4.559 -14.583) 16.358 25.456 ( -2.557 -0.600 -22.152) 22.307 25.659 ( 0.815 2.071 2.485) 3.336 25.681 ( -1.472 1.043 0.850) 1.994 26.370 ( -0.029 1.729 -0.459) 1.789 26.482 ( -3.671 -2.423 -9.754) 10.700 27.562 ( 4.620 7.018 4.755) 9.655 27.645 ( 1.580 5.254 -0.864) 5.554 27.931 ( 1.952 3.550 6.278) 7.472 28.141 ( -8.457 -4.213 -10.043) 13.789 28.799 ( 1.303 1.494 4.959) 5.340 28.896 ( 0.247 -3.190 -3.264) 4.570 29.687 ( 0.447 0.988 1.342) 1.725 29.704 ( 0.564 0.889 -0.447) 1.144 29.835 ( 2.419 3.028 1.909) 4.320 29.857 ( -2.296 5.608 -2.022) 6.388 30.224 ( 3.871 -8.289 0.899) 9.193 30.239 ( -4.348 -7.464 -1.109) 8.709 31.637 ( -1.269 0.030 1.612) 2.052 31.665 ( 0.213 -1.541 -0.827) 1.762 31.752 ( -1.685 0.377 0.644) 1.842 31.767 ( 2.298 0.681 -0.636) 2.479 32.205 ( -4.026 1.178 3.397) 5.398 32.273 ( 6.042 -1.314 -2.319) 6.604 32.435 ( -4.590 -2.006 1.382) 5.196 32.487 ( 2.768 -3.761 -2.817) 5.454 33.601 ( -0.169 4.832 1.556) 5.079 33.632 ( -0.592 4.129 -1.232) 4.349 33.928 ( 0.261 3.827 2.444) 4.548 33.975 ( -0.411 2.364 -1.877) 3.046 34.154 ( 0.775 3.569 4.831) 6.056 34.265 ( -0.181 3.259 -5.185) 6.127 34.416 ( -0.788 -6.676 3.751) 7.698 34.492 ( 1.236 -5.692 -3.166) 6.629 35.631 ( -0.826 8.022 1.530) 8.209 35.668 ( 1.360 7.561 -1.908) 7.916 36.015 ( -4.156 -2.394 3.570) 5.979 36.063 ( 3.812 -3.514 -0.931) 5.267 91.126 ( 0.372 5.150 0.149) 5.166 91.139 ( -0.397 4.621 -1.201) 4.791 91.368 ( -0.938 -5.361 -1.241) 5.582 91.390 ( 0.737 -6.447 -2.906) 7.110 93.886 ( 0.333 6.793 1.143) 6.896 93.922 ( -0.110 7.520 -2.291) 7.862 94.150 ( -2.332 -3.783 2.871) 5.291 94.245 ( 2.564 -5.494 -6.054) 8.568 94.956 ( 0.113 6.407 8.750) 10.846 95.155 ( -0.236 4.216 -8.557) 9.542 95.585 ( -1.649 -20.086 7.591) 21.535 95.733 ( 1.340 -20.160 -5.236) 20.872 97.990 ( -0.104 1.817 -0.196) 1.830 98.005 ( -0.092 1.101 -1.414) 1.795 99.186 ( -0.592 3.960 1.595) 4.310 99.206 ( 0.727 2.867 -0.193) 2.964 102.475 ( 0.172 0.950 0.267) 1.002 102.481 ( -0.171 0.689 -0.265) 0.757 102.929 ( 0.521 1.654 0.297) 1.759 102.935 ( -0.505 1.374 -0.185) 1.476 107.591 ( -0.017 0.223 0.426) 0.482 107.598 ( -0.035 -0.116 -0.262) 0.288 107.767 ( -0.337 -1.017 0.240) 1.098 107.773 ( 0.374 -1.312 -0.309) 1.399 ======================= Grid point 224 (116/126) ======================= q-point: (-0.38 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 2.100 7.244 3.278) 8.223 2.885 ( 19.554 -1.228 0.784) 19.608 3.163 ( 10.306 3.706 -0.336) 10.957 3.500 ( 15.611 4.622 0.653) 16.294 3.733 ( 9.112 11.988 1.392) 15.122 4.208 ( 29.541 10.838 -2.081) 31.535 5.181 ( -10.670 -26.883 4.961) 29.345 5.560 ( 14.808 -27.213 -7.314) 31.833 5.981 ( -1.130 8.490 0.157) 8.566 6.087 ( 4.177 14.442 -1.591) 15.118 6.296 ( -0.990 4.994 2.323) 5.596 6.390 ( 6.229 12.240 -1.569) 13.823 6.618 ( -32.624 30.081 1.534) 44.403 6.765 ( -29.308 32.204 -3.561) 43.689 6.897 ( -5.327 22.015 0.179) 22.651 7.065 ( -4.080 25.349 -1.515) 25.720 7.337 ( -1.253 6.566 1.646) 6.884 7.371 ( -2.797 10.358 -0.416) 10.737 7.472 ( -12.966 -1.003 2.732) 13.288 7.539 ( -11.396 0.976 2.060) 11.622 7.887 ( -13.200 0.860 -3.201) 13.610 7.964 ( 1.675 1.777 -1.649) 2.947 8.049 ( 0.943 1.467 2.120) 2.745 8.172 ( -0.220 -3.156 0.860) 3.278 8.213 ( 7.852 -1.531 -2.513) 8.386 8.390 ( -9.632 -4.882 -1.113) 10.856 8.466 ( -10.906 -2.037 -2.376) 11.347 8.603 ( 7.328 -11.050 7.378) 15.173 8.671 ( -17.942 -4.816 4.108) 19.026 8.798 ( -1.629 -2.277 -1.255) 3.068 8.814 ( 3.797 -6.403 0.290) 7.449 9.043 ( 13.239 -0.919 -3.006) 13.607 9.172 ( 11.518 -23.766 0.641) 26.418 9.475 ( -2.423 -20.804 -1.021) 20.970 9.590 ( -0.096 -7.453 0.130) 7.454 9.658 ( 4.467 -10.744 -2.461) 11.893 9.788 ( 12.702 -15.675 -2.914) 20.385 10.072 ( 6.499 -28.556 -0.200) 29.287 10.262 ( 30.224 -7.258 0.982) 31.099 10.319 ( 17.203 -16.136 0.353) 23.589 10.824 ( -1.852 2.395 1.850) 3.548 10.936 ( 5.469 -3.035 -0.839) 6.311 11.016 ( -0.784 -0.342 0.713) 1.113 11.084 ( 3.749 -1.754 1.294) 4.337 11.474 ( -6.502 2.791 -1.256) 7.186 11.666 ( -2.618 2.977 1.306) 4.174 11.687 ( -2.658 -5.755 -1.297) 6.470 11.887 ( -1.121 -4.234 -0.236) 4.387 12.136 ( -8.366 7.607 -0.562) 11.322 12.257 ( -5.225 4.503 0.960) 6.964 12.297 ( -2.073 10.383 3.140) 11.044 12.411 ( 0.587 7.016 4.071) 8.133 12.575 ( -6.684 10.212 -4.131) 12.885 12.699 ( -2.427 2.485 -3.180) 4.710 12.732 ( 2.059 6.886 3.234) 7.881 13.047 ( 5.370 2.504 4.138) 7.227 13.427 ( -10.670 15.151 -0.373) 18.535 13.562 ( -4.609 4.982 -0.083) 6.788 13.699 ( 2.763 9.070 -0.838) 9.519 13.835 ( -2.672 -4.038 -6.191) 7.860 13.919 ( 0.563 3.862 0.869) 3.998 14.122 ( 1.075 7.619 -2.365) 8.049 14.244 ( -2.437 4.020 -2.630) 5.387 14.391 ( 4.030 -4.854 0.349) 6.318 14.526 ( -1.604 2.589 -0.604) 3.105 14.650 ( 0.196 3.199 -9.280) 9.818 14.810 ( -0.527 4.699 11.260) 12.212 14.933 ( 9.734 6.905 3.381) 12.404 15.009 ( -3.502 -3.743 3.427) 6.165 15.199 ( 2.430 -6.573 -1.092) 7.093 15.305 ( -0.933 -6.391 -0.289) 6.465 15.391 ( 6.643 -5.577 -1.020) 8.733 15.665 ( 0.725 -0.215 -3.469) 3.551 15.681 ( 1.443 1.536 0.389) 2.143 15.842 ( -3.485 3.631 -3.912) 6.374 15.971 ( -1.012 0.009 4.375) 4.490 16.070 ( 0.506 2.478 -7.881) 8.277 16.171 ( 3.429 2.221 3.636) 5.469 16.339 ( -3.613 2.112 -2.899) 5.091 16.408 ( -1.170 5.724 -3.509) 6.815 16.561 ( 1.190 -4.843 2.830) 5.734 16.635 ( 3.272 -6.746 2.718) 7.975 16.967 ( -5.436 -10.446 6.820) 13.608 17.123 ( 4.613 -16.424 2.468) 17.238 17.433 ( -11.222 -2.255 0.499) 11.457 17.602 ( -0.700 -7.747 -4.501) 8.987 17.735 ( -2.942 -1.701 1.747) 3.822 17.849 ( 6.198 -6.840 0.272) 9.235 18.814 ( 0.471 1.463 -1.530) 2.169 18.817 ( 0.293 1.118 1.714) 2.067 19.252 ( 0.328 4.534 -1.154) 4.690 19.264 ( 1.112 3.606 2.017) 4.278 19.460 ( -0.177 2.249 0.838) 2.407 19.490 ( 1.689 1.502 2.171) 3.134 19.853 ( -4.042 -5.261 -1.479) 6.798 19.878 ( -1.678 -8.136 -1.877) 8.517 21.011 ( -8.381 4.258 -9.284) 13.212 21.215 ( 1.902 -5.140 -1.965) 5.822 21.253 ( 2.428 2.771 0.384) 3.704 21.311 ( 6.118 1.846 6.748) 9.293 23.889 ( -1.484 0.590 1.080) 1.928 23.911 ( 0.187 0.065 -2.062) 2.071 24.534 ( 0.695 1.983 1.198) 2.419 24.621 ( 6.118 -2.025 2.649) 6.968 25.073 ( -5.243 3.722 -16.032) 17.273 25.103 ( -3.376 3.091 4.872) 6.685 25.178 ( 0.456 2.975 -8.621) 9.132 25.328 ( 2.995 -1.114 14.936) 15.274 25.612 ( -5.380 3.694 -0.129) 6.528 25.713 ( 0.941 -0.222 0.583) 1.129 26.396 ( 2.973 1.955 -0.575) 3.604 26.475 ( 5.650 -1.766 7.104) 9.247 27.491 ( -8.141 6.570 -3.474) 11.023 27.626 ( -4.863 1.705 -5.466) 7.512 28.010 ( 7.288 4.710 -1.923) 8.889 28.186 ( 10.390 -2.321 11.635) 15.771 28.829 ( -1.098 0.429 -5.447) 5.573 28.874 ( 0.783 -1.950 2.484) 3.254 29.671 ( -3.242 3.643 -1.135) 5.007 29.684 ( -1.851 1.264 0.324) 2.265 29.808 ( -1.206 1.053 -0.674) 1.737 29.885 ( 1.386 2.384 0.042) 2.758 30.166 ( -3.637 -5.691 0.144) 6.756 30.283 ( 2.210 -7.943 0.496) 8.260 31.582 ( -5.540 1.723 0.459) 5.820 31.653 ( -3.866 -2.189 1.173) 4.595 31.741 ( 0.822 -0.799 -0.670) 1.328 31.781 ( -0.312 -1.407 -0.440) 1.507 32.196 ( -1.483 2.743 1.735) 3.568 32.308 ( 4.359 2.806 -4.259) 6.710 32.442 ( 2.697 -4.874 3.266) 6.457 32.551 ( 7.714 -4.615 -1.017) 9.046 33.532 ( -5.742 7.674 0.371) 9.591 33.697 ( 4.815 0.663 0.657) 4.905 33.925 ( -2.249 3.717 -0.895) 4.436 33.968 ( 0.485 2.015 0.924) 2.269 34.190 ( -0.633 4.358 -4.591) 6.362 34.230 ( 1.135 3.476 3.855) 5.313 34.440 ( -1.175 -5.637 1.611) 5.979 34.472 ( 1.362 -6.956 -2.293) 7.450 35.625 ( -2.540 8.548 1.298) 9.011 35.654 ( 0.423 7.531 -1.956) 7.792 35.972 ( -5.311 -0.585 1.716) 5.612 36.115 ( 4.665 -5.308 -1.807) 7.294 91.116 ( -0.814 4.832 -0.030) 4.900 91.147 ( 1.254 4.507 0.260) 4.686 91.354 ( -1.159 -5.524 1.584) 5.862 91.380 ( 0.861 -5.504 -0.388) 5.585 93.879 ( -1.303 6.711 -0.380) 6.847 93.924 ( 1.584 7.275 0.274) 7.450 94.152 ( -2.746 -3.946 3.210) 5.780 94.233 ( 3.691 -5.158 -2.844) 6.951 95.022 ( -1.398 5.409 -6.679) 8.708 95.085 ( 0.750 6.784 6.868) 9.683 95.501 ( -10.991 -14.861 0.435) 18.489 95.827 ( 10.361 -26.160 -0.485) 28.141 97.991 ( 0.146 1.765 0.164) 1.779 98.005 ( 1.094 0.980 0.440) 1.533 99.182 ( -0.466 4.729 0.039) 4.752 99.233 ( 2.547 1.715 -0.513) 3.113 102.474 ( -0.256 0.952 -0.242) 1.015 102.481 ( 0.097 0.663 0.241) 0.712 102.912 ( -1.151 2.593 -0.098) 2.838 102.954 ( 1.377 0.408 0.050) 1.437 107.593 ( -0.195 0.096 -0.227) 0.314 107.595 ( -0.115 -0.005 0.268) 0.292 107.761 ( -0.805 -0.822 0.211) 1.170 107.773 ( 0.025 -1.333 -0.252) 1.357 ======================= Grid point 225 (117/126) ======================= q-point: (-0.25 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 15.988 21.236 8.606) 27.940 3.146 ( 9.546 30.120 12.599) 34.016 3.476 ( 24.003 -3.048 0.255) 24.197 3.741 ( 25.107 11.822 0.209) 27.752 4.163 ( 35.994 -14.034 5.803) 39.066 4.660 ( 36.571 -2.354 -3.268) 36.792 5.112 ( -7.029 -19.569 3.926) 21.160 5.584 ( 4.560 -11.141 -13.874) 18.369 5.891 ( -21.705 19.091 -3.161) 29.079 5.973 ( -24.359 28.498 -1.185) 37.509 6.120 ( -10.033 8.665 -0.674) 13.274 6.328 ( -9.135 13.301 -5.052) 16.908 6.387 ( 3.381 3.632 1.998) 5.349 6.547 ( 6.463 8.823 0.428) 10.945 6.787 ( -10.757 9.846 1.647) 14.675 6.974 ( -4.589 25.488 -3.103) 26.083 7.126 ( -19.376 3.444 -2.366) 19.821 7.233 ( -34.542 -10.107 3.481) 36.158 7.338 ( -10.510 0.871 0.782) 10.575 7.433 ( 1.556 3.831 -0.155) 4.138 7.497 ( -19.597 7.175 -1.532) 20.926 7.836 ( -14.758 -4.652 -0.807) 15.495 7.960 ( -6.400 -1.838 -5.925) 8.913 8.189 ( -2.156 -1.058 -5.465) 5.969 8.292 ( -2.674 0.456 -0.126) 2.716 8.347 ( 3.240 0.970 2.542) 4.231 8.397 ( 3.927 4.167 3.131) 6.526 8.650 ( 3.825 -0.119 3.492) 5.180 8.741 ( 6.313 0.688 -3.258) 7.138 8.808 ( 0.512 -11.423 5.160) 12.545 8.858 ( 4.930 -4.686 -3.264) 7.545 9.194 ( 9.813 0.349 -3.239) 10.339 9.330 ( 7.942 -22.648 1.310) 24.036 9.412 ( -0.132 -15.474 1.289) 15.528 9.538 ( -4.262 -11.012 2.718) 12.117 9.575 ( -4.254 -22.458 -1.930) 22.938 10.152 ( 25.961 -9.962 -2.238) 27.897 10.302 ( 24.941 -14.421 0.068) 28.810 10.538 ( 12.821 -9.658 0.019) 16.052 10.668 ( 21.026 -11.249 1.984) 23.929 10.894 ( 4.345 3.939 5.576) 8.092 11.007 ( 4.184 2.051 0.061) 4.660 11.064 ( 2.880 -3.571 2.633) 5.289 11.187 ( 7.094 -4.211 3.359) 8.908 11.384 ( -2.736 1.381 -0.689) 3.142 11.545 ( -7.947 -5.544 1.492) 9.804 11.712 ( -1.019 2.377 -0.831) 2.716 11.781 ( -10.367 2.496 -1.045) 10.714 12.028 ( -9.324 9.336 1.409) 13.270 12.200 ( -8.162 9.185 5.153) 13.324 12.255 ( -8.789 5.674 2.894) 10.854 12.380 ( -1.439 11.462 0.339) 11.557 12.480 ( -4.530 4.025 -3.270) 6.886 12.712 ( 6.722 -4.534 -0.838) 8.151 12.718 ( -9.052 8.266 -0.338) 12.263 13.081 ( -2.527 -3.342 -0.783) 4.263 13.356 ( -1.736 9.874 1.595) 10.151 13.534 ( 3.838 10.686 -3.519) 11.887 13.569 ( -10.638 3.531 -3.142) 11.641 13.776 ( 3.832 5.040 -5.879) 8.640 13.930 ( -1.388 9.034 0.623) 9.162 14.034 ( -4.066 5.132 -3.614) 7.479 14.193 ( 1.199 -1.498 -3.844) 4.296 14.428 ( -0.379 -8.744 -2.664) 9.149 14.521 ( 2.175 6.605 -7.192) 10.004 14.573 ( 6.473 0.119 0.548) 6.497 14.895 ( -1.946 -1.039 3.614) 4.234 15.003 ( -4.000 2.797 10.263) 11.364 15.149 ( 2.831 -4.679 -3.459) 6.471 15.212 ( 8.529 4.325 1.904) 9.750 15.324 ( -2.851 -4.030 3.710) 6.175 15.423 ( 6.758 -0.066 -9.026) 11.276 15.635 ( 1.129 -2.332 -1.725) 3.113 15.677 ( -1.584 -5.243 -1.585) 5.702 15.827 ( 2.778 4.108 1.895) 5.309 15.856 ( -1.556 1.881 -8.712) 9.047 16.054 ( -1.820 -2.441 -0.443) 3.077 16.195 ( -0.064 -4.346 -2.903) 5.227 16.313 ( -1.498 4.821 -2.173) 5.496 16.400 ( 4.054 8.175 7.892) 12.064 16.633 ( 1.045 -2.698 -2.535) 3.847 16.663 ( 1.888 -7.334 2.331) 7.924 16.990 ( -2.502 0.749 3.777) 4.592 17.252 ( -7.625 -3.663 6.586) 10.720 17.356 ( -2.409 -14.655 15.327) 21.342 17.507 ( -4.063 -8.808 -2.770) 10.088 17.718 ( -2.660 -1.197 2.549) 3.873 17.935 ( 5.361 -10.640 -1.019) 11.957 18.804 ( 0.479 3.929 -1.137) 4.118 18.837 ( 0.808 1.916 0.185) 2.088 19.214 ( -0.630 5.654 -3.599) 6.732 19.304 ( 1.229 1.318 -0.422) 1.851 19.516 ( 2.589 1.663 4.951) 5.830 19.576 ( 3.283 0.871 4.691) 5.792 19.723 ( -8.405 -2.479 -4.304) 9.762 19.820 ( -2.176 -10.417 -1.211) 10.710 20.798 ( -3.844 7.305 -8.345) 11.738 21.161 ( 1.653 -4.864 -8.927) 10.300 21.277 ( 2.145 0.016 -2.701) 3.449 21.432 ( 2.565 -1.628 0.834) 3.150 23.874 ( -1.592 0.001 -0.092) 1.595 23.887 ( 0.449 0.722 -1.268) 1.527 24.563 ( 2.842 4.092 -3.476) 6.075 24.659 ( 0.767 1.829 -14.719) 14.852 24.873 ( -0.250 1.989 2.836) 3.473 24.974 ( 0.420 -1.674 -10.477) 10.618 25.228 ( -3.000 6.717 10.061) 12.463 25.506 ( -3.381 -4.545 5.896) 8.176 25.600 ( -1.087 4.293 7.967) 9.115 25.740 ( 1.891 -0.062 6.472) 6.743 26.539 ( 7.499 4.180 8.915) 12.377 26.646 ( 3.079 -0.217 7.486) 8.097 27.326 ( -8.171 3.232 -6.398) 10.870 27.451 ( -3.484 -2.705 -4.120) 6.035 28.179 ( 10.943 9.417 0.697) 14.454 28.394 ( 3.691 -0.353 -0.479) 3.738 28.799 ( 3.657 1.078 4.008) 5.532 28.912 ( 0.815 -4.252 3.527) 5.584 29.598 ( -5.088 4.579 -0.657) 6.877 29.650 ( -4.095 0.424 1.247) 4.302 29.770 ( 0.718 -1.046 -5.463) 5.608 29.877 ( -1.388 -1.207 -0.773) 1.995 30.146 ( -0.127 -2.467 0.269) 2.485 30.286 ( -2.083 -6.034 -0.914) 6.448 31.515 ( -4.114 2.046 0.655) 4.641 31.609 ( -4.493 -2.019 2.345) 5.455 31.739 ( -0.170 -3.831 -1.901) 4.280 31.742 ( -2.692 -1.594 -0.778) 3.224 32.207 ( 1.113 4.427 0.636) 4.609 32.329 ( 4.396 5.190 -2.396) 7.211 32.551 ( 5.862 -6.548 2.595) 9.164 32.651 ( 7.167 -5.344 -0.815) 8.977 33.471 ( -4.146 9.604 1.638) 10.588 33.764 ( 3.350 -3.250 0.164) 4.670 33.859 ( -3.282 6.871 -2.973) 8.174 33.984 ( -0.584 1.066 1.371) 1.832 34.137 ( 0.839 5.063 -3.045) 5.968 34.291 ( 0.330 3.795 3.265) 5.018 34.425 ( 1.256 -6.527 -2.582) 7.130 34.478 ( -0.539 -6.471 1.555) 6.677 35.594 ( -3.663 9.779 1.071) 10.498 35.634 ( 0.580 8.746 -2.310) 9.065 35.918 ( -4.554 -0.032 1.427) 4.772 36.139 ( 3.379 -6.743 -3.890) 8.486 91.111 ( -0.328 5.333 0.610) 5.378 91.171 ( 0.933 4.806 0.691) 4.944 91.375 ( -0.803 -7.056 3.903) 8.104 91.403 ( 0.698 -5.785 2.081) 6.187 93.864 ( -0.473 6.995 0.223) 7.014 93.950 ( 0.771 7.740 0.701) 7.810 94.158 ( -1.676 -5.102 3.088) 6.195 94.271 ( 3.201 -6.019 0.411) 6.830 94.912 ( -0.534 5.469 -7.032) 8.924 95.152 ( -3.515 -1.341 1.967) 4.245 95.399 ( -4.380 -4.695 5.648) 8.552 95.943 ( 7.064 -28.541 -1.705) 29.452 98.005 ( 0.625 2.057 1.122) 2.425 98.036 ( 1.281 0.366 1.419) 1.946 99.181 ( 1.144 4.913 -0.925) 5.128 99.255 ( 1.759 0.462 -1.178) 2.167 102.468 ( -0.167 1.108 -0.130) 1.128 102.484 ( -0.078 0.424 0.136) 0.452 102.900 ( -0.328 3.282 0.050) 3.298 102.968 ( 0.681 -0.278 -0.272) 0.784 107.587 ( -0.157 0.242 -0.236) 0.372 107.595 ( -0.278 -0.161 0.185) 0.371 107.751 ( -0.912 -0.454 0.259) 1.051 107.768 ( -0.232 -1.217 -0.287) 1.272 ======================= Grid point 226 (118/126) ======================= q-point: (-0.12 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.073 ( 15.059 26.202 17.975) 35.163 3.503 ( 15.523 33.362 12.277) 38.791 3.802 ( 19.684 20.725 1.394) 28.617 4.178 ( 27.954 2.946 2.090) 28.186 4.801 ( 39.803 -23.783 3.361) 46.489 5.019 ( -13.724 -7.686 1.868) 15.840 5.107 ( 26.037 2.052 -10.020) 27.974 5.365 ( -6.255 8.517 -5.949) 12.127 5.484 ( -30.699 23.367 -6.720) 39.161 5.529 ( -4.511 5.551 -1.684) 7.349 6.112 ( 4.128 -0.053 -3.254) 5.256 6.161 ( -17.498 -7.965 -2.334) 19.366 6.424 ( -3.230 -7.468 -2.839) 8.617 6.581 ( -32.160 -12.494 2.461) 34.589 6.642 ( 0.355 2.344 2.831) 3.692 6.774 ( -9.935 -0.354 -0.909) 9.983 6.851 ( -6.161 8.407 0.286) 10.426 6.904 ( -6.476 26.153 -1.359) 26.977 7.169 ( -12.182 15.133 1.691) 19.500 7.296 ( -4.540 9.447 -2.548) 10.786 7.467 ( -0.182 7.546 0.468) 7.562 7.643 ( -8.076 -0.446 0.101) 8.089 7.821 ( -1.594 0.641 -7.254) 7.454 8.047 ( -5.432 1.604 -8.542) 10.249 8.283 ( 0.145 -3.541 1.236) 3.753 8.386 ( 0.990 -2.746 -2.054) 3.569 8.445 ( -0.374 1.472 4.133) 4.403 8.636 ( -3.571 0.025 -2.602) 4.419 8.817 ( 0.700 -7.724 0.447) 7.769 8.835 ( 1.798 -6.502 -1.268) 6.864 8.989 ( 12.723 -1.863 2.062) 13.023 9.215 ( 0.145 -11.214 -2.327) 11.454 9.433 ( 4.509 -18.316 1.818) 18.950 9.476 ( -0.148 -28.026 0.759) 28.037 9.528 ( 3.459 -5.172 2.363) 6.656 9.583 ( -0.547 -11.706 4.368) 12.506 10.474 ( 21.370 -0.846 0.039) 21.387 10.653 ( 18.951 -3.418 0.819) 19.274 10.735 ( 12.440 -6.547 2.380) 14.258 10.879 ( 3.996 -8.100 3.492) 9.683 11.015 ( 3.373 0.880 2.577) 4.335 11.082 ( 4.305 4.295 0.428) 6.096 11.114 ( 0.645 -2.797 1.368) 3.180 11.301 ( 8.524 -2.820 -3.393) 9.598 11.388 ( -5.351 -0.547 1.934) 5.716 11.530 ( 2.209 -3.210 1.847) 4.312 11.600 ( -7.390 2.569 1.642) 7.995 11.663 ( -6.892 -2.734 3.356) 8.138 11.892 ( -8.831 10.310 0.919) 13.606 12.154 ( -5.039 4.527 -0.099) 6.774 12.196 ( -4.302 0.224 3.729) 5.698 12.333 ( -5.812 3.350 -2.332) 7.102 12.396 ( -3.247 8.942 1.718) 9.668 12.538 ( -10.429 14.687 -1.815) 18.104 12.774 ( 3.959 -5.744 -2.206) 7.317 12.982 ( -4.429 -3.614 -6.175) 8.414 13.332 ( -0.342 8.053 -2.744) 8.515 13.426 ( -2.175 4.432 -2.031) 5.339 13.585 ( 2.501 5.092 -0.811) 5.731 13.692 ( -2.687 7.047 -7.336) 10.521 13.958 ( 0.354 6.043 3.917) 7.210 13.995 ( 3.099 9.392 0.579) 9.907 14.183 ( 2.677 -3.970 -2.830) 5.562 14.312 ( -2.705 0.557 -7.129) 7.645 14.554 ( 5.167 1.842 0.053) 5.486 14.690 ( 5.573 -6.195 2.535) 8.710 14.905 ( -1.377 0.866 2.278) 2.799 15.001 ( -2.896 7.516 -1.927) 8.282 15.158 ( -3.684 -3.303 4.551) 6.722 15.207 ( -5.078 1.011 -3.443) 6.218 15.357 ( 3.951 0.105 -2.334) 4.590 15.428 ( 5.225 2.770 -1.329) 6.062 15.599 ( -2.501 -7.248 -2.305) 8.006 15.668 ( 2.356 -9.947 -1.632) 10.351 15.787 ( 1.631 0.483 -4.003) 4.349 15.881 ( 1.914 -1.504 -2.210) 3.288 16.028 ( 0.383 2.029 2.187) 3.008 16.184 ( 0.320 -3.044 1.380) 3.358 16.298 ( -0.154 3.106 1.534) 3.468 16.522 ( -3.188 0.951 -4.211) 5.367 16.584 ( 7.501 -0.972 2.788) 8.061 16.777 ( 6.217 -2.173 3.886) 7.647 16.936 ( -7.451 5.817 -0.817) 9.488 17.182 ( -10.328 -1.645 3.421) 11.003 17.446 ( -3.601 -7.570 7.847) 11.483 17.560 ( 1.350 -8.720 7.453) 11.550 17.755 ( -0.343 -6.618 7.799) 10.234 17.971 ( 2.852 -13.048 -2.410) 13.572 18.800 ( 0.131 6.287 -0.055) 6.288 18.846 ( 0.780 3.653 -0.818) 3.824 19.163 ( 0.681 4.996 -3.513) 6.146 19.281 ( -1.198 -1.005 -3.409) 3.750 19.515 ( -6.462 0.169 -3.001) 7.127 19.562 ( -3.604 -0.493 -2.871) 4.634 19.728 ( 4.833 -0.967 8.654) 9.959 19.840 ( 2.221 -9.066 3.580) 9.997 20.714 ( 2.472 5.872 -3.344) 7.196 21.047 ( -0.089 -7.265 -10.689) 12.924 21.253 ( 1.114 1.849 -4.071) 4.608 21.406 ( -1.629 -2.038 -5.208) 5.825 23.855 ( -1.397 1.256 0.939) 2.100 23.893 ( 1.605 0.228 -0.482) 1.692 24.450 ( -2.249 5.644 -11.342) 12.866 24.496 ( 0.980 2.970 -9.875) 10.358 24.899 ( 0.456 -1.502 -0.742) 1.736 24.948 ( -0.308 -2.854 1.136) 3.088 25.295 ( 0.230 5.967 4.031) 7.204 25.504 ( -2.837 -3.584 -1.469) 4.801 25.703 ( 3.503 8.879 13.824) 16.799 25.958 ( 3.683 -3.629 15.304) 16.154 26.708 ( -3.380 4.729 2.982) 6.533 26.762 ( 1.564 1.578 10.866) 11.091 27.126 ( -1.602 6.293 -8.699) 10.855 27.449 ( 3.029 -7.095 0.590) 7.737 28.248 ( 2.156 6.232 -4.631) 8.058 28.331 ( -1.475 2.652 -6.260) 6.957 28.999 ( 6.127 -0.367 9.705) 11.483 29.014 ( 1.926 -1.544 8.371) 8.728 29.527 ( -2.006 3.421 -1.675) 4.305 29.621 ( -2.702 -0.007 3.998) 4.826 29.689 ( 0.947 -0.894 -8.860) 8.955 29.857 ( -0.389 -4.297 1.030) 4.436 30.128 ( -2.049 -1.623 -3.010) 3.987 30.198 ( -4.441 -2.704 -4.216) 6.694 31.490 ( -1.312 0.789 1.758) 2.332 31.594 ( -2.847 -2.662 3.589) 5.298 31.662 ( -3.610 -1.760 -2.406) 4.682 31.725 ( 0.673 -3.120 -2.382) 3.983 32.243 ( 1.720 4.496 1.548) 5.056 32.357 ( 2.889 4.475 -2.208) 5.766 32.653 ( 3.555 -7.118 2.248) 8.268 32.725 ( 4.665 -5.929 -1.434) 7.679 33.457 ( -2.208 11.575 3.278) 12.231 33.722 ( -2.313 8.007 -6.755) 10.728 33.844 ( 1.383 -2.583 2.664) 3.960 33.980 ( -1.493 -0.362 0.259) 1.558 34.145 ( 2.842 5.141 -0.050) 5.874 34.295 ( -2.455 2.943 -0.311) 3.845 34.443 ( 3.468 -5.712 -0.132) 6.684 34.490 ( -0.686 -5.927 1.650) 6.191 35.553 ( -3.496 11.207 1.111) 11.792 35.612 ( 1.272 11.573 -3.351) 12.116 35.889 ( -3.137 -2.025 3.227) 4.935 36.113 ( 1.881 -7.462 -5.955) 9.730 91.122 ( 0.260 5.985 1.247) 6.119 91.184 ( -0.004 5.455 0.076) 5.456 91.423 ( -0.167 -8.656 4.369) 9.697 91.445 ( 0.454 -7.063 2.882) 7.641 93.873 ( 0.573 7.705 1.168) 7.814 93.957 ( -0.474 8.956 -0.085) 8.969 94.188 ( -1.006 -6.471 4.704) 8.063 94.320 ( 2.763 -8.084 -0.047) 8.543 94.840 ( 0.082 3.041 -3.441) 4.593 95.046 ( -4.935 -4.947 -5.179) 8.698 95.514 ( 0.900 -2.879 12.690) 13.044 95.978 ( 3.213 -26.935 -4.686) 27.528 98.033 ( 0.494 2.090 1.933) 2.889 98.070 ( 0.865 0.146 1.189) 1.478 99.191 ( 1.818 3.812 -0.933) 4.325 99.251 ( 0.276 0.177 -1.641) 1.673 102.467 ( 0.069 1.092 0.054) 1.095 102.482 ( -0.263 0.426 -0.045) 0.502 102.905 ( 0.503 3.061 0.465) 3.137 102.965 ( -0.222 -0.101 -0.760) 0.798 107.583 ( 0.026 0.250 -0.088) 0.267 107.592 ( -0.372 -0.143 0.028) 0.400 107.744 ( -0.613 -0.189 0.363) 0.737 107.760 ( -0.189 -0.982 -0.396) 1.075 ======================= Grid point 227 (119/126) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.858 ( -1.693 -12.989 10.406) 16.730 3.858 ( -1.693 12.989 10.406) 16.730 4.647 ( 0.432 -12.908 3.121) 13.287 4.647 ( 0.432 12.908 3.121) 13.287 4.817 ( 0.258 -35.018 5.489) 35.446 4.817 ( 0.258 35.018 5.489) 35.446 5.176 ( 4.174 -19.788 -17.991) 27.068 5.176 ( 4.174 19.788 -17.991) 27.068 5.495 ( -5.306 -7.314 1.694) 9.193 5.495 ( -5.306 7.314 1.694) 9.193 5.632 ( 4.724 -11.676 -2.064) 12.763 5.632 ( 4.724 11.676 -2.064) 12.763 6.389 ( 0.497 -11.220 4.459) 12.084 6.389 ( 0.497 11.220 4.459) 12.084 6.601 ( -1.902 -8.483 -5.167) 10.113 6.601 ( -1.902 8.483 -5.167) 10.113 7.038 ( -2.608 -3.624 4.696) 6.480 7.038 ( -2.608 3.624 4.696) 6.480 7.516 ( -3.482 -8.936 -1.182) 9.663 7.516 ( -3.482 8.936 -1.182) 9.663 7.612 ( 4.523 -9.839 -3.617) 11.417 7.612 ( 4.523 9.839 -3.617) 11.417 7.885 ( 1.069 -5.430 -1.802) 5.821 7.885 ( 1.069 5.430 -1.802) 5.821 8.239 ( -1.229 -3.115 -1.305) 3.594 8.239 ( -1.229 3.115 -1.305) 3.594 8.512 ( 0.353 -2.470 -0.021) 2.495 8.512 ( 0.353 2.470 -0.021) 2.495 8.621 ( -1.266 -2.053 1.827) 3.026 8.621 ( -1.266 2.053 1.827) 3.026 9.022 ( 0.131 -0.694 -1.966) 2.089 9.022 ( 0.131 0.694 -1.966) 2.089 9.278 ( 0.279 -2.558 0.470) 2.615 9.278 ( 0.279 2.558 0.470) 2.615 9.532 ( 0.713 -0.212 2.761) 2.860 9.532 ( 0.713 0.212 2.761) 2.860 10.752 ( 1.050 -1.436 0.748) 1.930 10.752 ( 1.050 1.436 0.748) 1.930 10.965 ( 5.113 -1.394 2.677) 5.937 10.965 ( 5.113 1.394 2.677) 5.937 11.027 ( -2.427 -1.496 0.745) 2.947 11.027 ( -2.427 1.496 0.745) 2.947 11.258 ( -3.153 -2.296 -1.103) 4.053 11.258 ( -3.153 2.296 -1.103) 4.053 11.337 ( -0.611 -2.521 -1.284) 2.894 11.337 ( -0.611 2.521 -1.284) 2.894 11.700 ( 6.242 -4.209 5.219) 9.160 11.700 ( 6.242 4.209 5.219) 9.160 11.939 ( -4.382 -5.299 -3.350) 7.649 11.939 ( -4.382 5.299 -3.350) 7.649 12.202 ( -2.674 -0.921 2.984) 4.112 12.202 ( -2.674 0.921 2.984) 4.112 12.638 ( 0.207 -4.989 -0.936) 5.080 12.638 ( 0.207 4.989 -0.936) 5.080 12.744 ( -0.403 -5.332 -1.705) 5.613 12.744 ( -0.403 5.332 -1.705) 5.613 13.421 ( -2.047 -2.104 -1.150) 3.153 13.421 ( -2.047 2.104 -1.150) 3.153 13.606 ( 2.922 -3.015 -4.934) 6.478 13.606 ( 2.922 3.015 -4.934) 6.478 14.124 ( 1.856 -3.714 2.397) 4.794 14.124 ( 1.856 3.714 2.397) 4.794 14.186 ( -0.558 -3.594 -3.390) 4.972 14.186 ( -0.558 3.594 -3.390) 4.972 14.699 ( 1.573 -2.029 3.561) 4.390 14.699 ( 1.573 2.029 3.561) 4.390 15.023 ( -4.112 -2.235 2.250) 5.193 15.023 ( -4.112 2.235 2.250) 5.193 15.140 ( 0.602 -3.206 0.852) 3.371 15.140 ( 0.602 3.206 0.852) 3.371 15.315 ( 0.019 -8.325 -6.792) 10.744 15.315 ( 0.019 8.325 -6.792) 10.744 15.538 ( -0.918 -2.540 2.276) 3.532 15.538 ( -0.918 2.540 2.276) 3.532 15.762 ( 2.748 -2.443 -6.285) 7.281 15.762 ( 2.748 2.443 -6.285) 7.281 16.181 ( 0.946 -1.990 3.997) 4.564 16.181 ( 0.946 1.990 3.997) 4.564 16.377 ( -0.972 -2.398 -2.269) 3.441 16.377 ( -0.972 2.398 -2.269) 3.441 16.812 ( 3.271 -3.461 2.595) 5.423 16.812 ( 3.271 3.461 2.595) 5.423 16.959 ( -5.379 -5.376 -0.505) 7.621 16.959 ( -5.379 5.376 -0.505) 7.621 17.550 ( 1.136 -3.365 6.470) 7.381 17.550 ( 1.136 3.365 6.470) 7.381 17.768 ( 0.939 -4.396 0.282) 4.504 17.768 ( 0.939 4.396 0.282) 4.504 18.886 ( -0.586 -0.782 0.160) 0.990 18.886 ( -0.586 0.782 0.160) 0.990 19.198 ( -0.195 -0.590 -1.966) 2.062 19.198 ( -0.195 0.590 -1.966) 2.062 19.439 ( -1.467 -1.021 -1.310) 2.216 19.439 ( -1.467 1.021 -1.310) 2.216 19.846 ( 1.566 -0.684 3.044) 3.491 19.846 ( 1.566 0.684 3.044) 3.491 20.800 ( 0.823 -3.108 -4.306) 5.374 20.800 ( 0.823 3.108 -4.306) 5.374 21.280 ( -0.797 -1.472 -3.008) 3.442 21.280 ( -0.797 1.472 -3.008) 3.442 23.901 ( 0.040 -1.489 1.145) 1.879 23.901 ( 0.040 1.489 1.145) 1.879 24.398 ( -0.364 -1.534 -5.690) 5.904 24.398 ( -0.364 1.534 -5.690) 5.904 24.893 ( -0.698 -0.722 0.309) 1.050 24.893 ( -0.698 0.722 0.309) 1.050 25.399 ( 0.342 -1.525 -0.728) 1.724 25.399 ( 0.342 1.525 -0.728) 1.724 26.082 ( 2.099 -3.395 9.722) 10.509 26.082 ( 2.099 3.395 9.722) 10.509 26.778 ( -3.533 -2.755 3.632) 5.767 26.778 ( -3.533 2.755 3.632) 5.767 27.302 ( 3.743 -7.473 -3.020) 8.887 27.302 ( 3.743 7.473 -3.020) 8.887 28.249 ( -1.936 -0.908 -2.657) 3.411 28.249 ( -1.936 0.908 -2.657) 3.411 29.140 ( -1.533 -2.707 8.125) 8.700 29.140 ( -1.533 2.707 8.125) 8.700 29.512 ( 1.710 -2.945 -7.967) 8.664 29.512 ( 1.710 2.945 -7.967) 8.664 29.823 ( 3.363 -4.860 8.905) 10.688 29.823 ( 3.363 4.860 8.905) 10.688 30.025 ( -3.052 -3.177 -8.107) 9.227 30.025 ( -3.052 3.177 -8.107) 9.227 31.525 ( -0.538 -1.747 1.569) 2.409 31.525 ( -0.538 1.747 1.569) 2.409 31.651 ( 0.250 -2.214 -0.930) 2.415 31.651 ( 0.250 2.214 -0.930) 2.415 32.359 ( -0.077 -2.626 -0.876) 2.769 32.359 ( -0.077 2.626 -0.876) 2.769 32.648 ( 0.152 -2.019 0.269) 2.042 32.648 ( 0.152 2.019 0.269) 2.042 33.703 ( 0.226 -6.145 2.051) 6.482 33.703 ( 0.226 6.145 2.051) 6.482 33.874 ( -0.654 -4.234 -1.582) 4.567 33.874 ( -0.654 4.234 -1.582) 4.567 34.257 ( -0.413 -1.141 -0.537) 1.328 34.257 ( -0.413 1.141 -0.537) 1.328 34.436 ( 0.951 -0.730 1.044) 1.589 34.436 ( 0.951 0.730 1.044) 1.589 35.723 ( -0.108 -4.853 1.519) 5.086 35.723 ( -0.108 4.853 1.519) 5.086 35.890 ( 0.064 -7.057 -3.157) 7.731 35.890 ( 0.064 7.057 -3.157) 7.731 91.285 ( 0.006 -4.472 1.298) 4.657 91.285 ( 0.006 4.472 1.298) 4.657 91.323 ( 0.090 -4.156 0.912) 4.256 91.323 ( 0.090 4.156 0.912) 4.256 94.080 ( -0.683 -8.534 3.509) 9.253 94.080 ( -0.683 8.534 3.509) 9.253 94.140 ( 1.153 -10.465 -1.633) 10.654 94.140 ( 1.153 10.465 -1.633) 10.654 94.858 ( -0.760 -2.610 -3.196) 4.196 94.858 ( -0.760 2.610 -3.196) 4.196 95.646 ( 0.350 -5.461 2.019) 5.832 95.646 ( 0.350 5.461 2.019) 5.832 98.086 ( -0.021 -0.571 1.052) 1.197 98.086 ( -0.021 0.571 1.052) 1.197 99.232 ( -0.004 -0.654 -0.879) 1.095 99.232 ( -0.004 0.654 -0.879) 1.095 102.482 ( 0.005 -0.106 0.005) 0.107 102.482 ( 0.005 0.106 0.005) 0.107 102.949 ( -0.005 -0.591 -0.068) 0.595 102.949 ( -0.005 0.591 -0.068) 0.595 107.587 ( -0.046 -0.046 0.018) 0.067 107.587 ( -0.046 0.046 0.018) 0.067 107.744 ( 0.039 -0.257 -0.038) 0.263 107.744 ( 0.039 0.257 -0.038) 0.263 ======================= Grid point 229 (120/126) ======================= q-point: ( 0.12 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.668 ( -31.611 -19.488 0.328) 37.137 3.668 ( -31.611 19.488 0.328) 37.137 4.510 ( -19.042 -7.813 -8.218) 22.162 4.510 ( -19.042 7.813 -8.218) 22.162 4.577 ( -28.712 -15.754 7.465) 33.590 4.577 ( -28.712 15.754 7.465) 33.590 4.969 ( 0.962 -13.623 -2.972) 13.977 4.969 ( 0.962 13.623 -2.972) 13.977 5.795 ( 29.030 -18.057 1.799) 34.235 5.795 ( 29.030 18.057 1.799) 34.235 6.062 ( 36.572 -18.682 -2.700) 41.157 6.062 ( 36.572 18.683 -2.700) 41.157 6.398 ( 4.805 -9.762 -1.643) 11.004 6.398 ( 4.805 9.762 -1.643) 11.004 6.544 ( -2.397 -4.382 4.474) 6.705 6.544 ( -2.397 4.382 4.474) 6.705 7.137 ( 8.253 -1.524 2.448) 8.742 7.137 ( 8.253 1.524 2.448) 8.742 7.441 ( -7.487 -5.824 2.981) 9.943 7.441 ( -7.487 5.824 2.981) 9.943 7.627 ( 5.539 -13.844 -3.375) 15.288 7.627 ( 5.539 13.844 -3.375) 15.288 7.962 ( 8.593 -6.938 -1.172) 11.106 7.962 ( 8.593 6.938 -1.172) 11.106 8.248 ( 2.634 -4.193 2.004) 5.342 8.248 ( 2.634 4.193 2.004) 5.342 8.506 ( -0.619 -3.619 -0.213) 3.678 8.506 ( -0.619 3.619 -0.213) 3.678 8.648 ( 1.999 -0.694 1.011) 2.345 8.648 ( 1.999 0.694 1.011) 2.345 8.986 ( -3.704 -3.496 0.351) 5.105 8.986 ( -3.704 3.496 0.351) 5.105 9.224 ( -7.144 -7.702 -0.719) 10.530 9.224 ( -7.144 7.702 -0.719) 10.530 9.549 ( 0.348 -1.504 -1.393) 2.079 9.549 ( 0.348 1.504 -1.393) 2.079 10.549 ( -26.459 -6.066 -0.977) 27.163 10.549 ( -26.459 6.066 -0.977) 27.163 10.845 ( -13.559 -6.730 -3.439) 15.523 10.845 ( -13.559 6.730 -3.439) 15.523 11.031 ( -1.259 -1.550 1.630) 2.578 11.031 ( -1.259 1.550 1.630) 2.578 11.213 ( -0.805 -2.440 -0.156) 2.574 11.213 ( -0.805 2.440 -0.156) 2.574 11.446 ( 6.446 -2.969 1.531) 7.261 11.446 ( 6.446 2.969 1.531) 7.261 11.706 ( 0.957 -2.078 -5.244) 5.722 11.706 ( 0.957 2.078 -5.244) 5.722 12.062 ( 14.822 -7.296 3.303) 16.847 12.062 ( 14.822 7.296 3.303) 16.847 12.258 ( 5.045 -1.970 3.128) 6.254 12.258 ( 5.045 1.970 3.128) 6.254 12.622 ( -1.060 -8.019 -0.373) 8.098 12.622 ( -1.060 8.019 -0.373) 8.098 12.751 ( 1.365 -7.771 1.481) 8.028 12.751 ( 1.365 7.771 1.481) 8.028 13.393 ( -0.671 -1.470 1.472) 2.186 13.393 ( -0.671 1.470 1.472) 2.186 13.649 ( 7.616 -5.511 -1.736) 9.560 13.649 ( 7.616 5.511 -1.736) 9.560 14.122 ( -2.264 -1.802 -2.920) 4.110 14.122 ( -2.264 1.802 -2.920) 4.110 14.177 ( 1.249 -5.021 1.223) 5.316 14.177 ( 1.249 5.021 1.223) 5.316 14.626 ( -9.661 -4.168 -1.588) 10.641 14.626 ( -9.661 4.168 -1.588) 10.641 15.008 ( -5.663 -5.750 3.845) 8.940 15.008 ( -5.663 5.751 3.845) 8.940 15.183 ( 5.661 -10.528 0.121) 11.954 15.183 ( 5.661 10.528 0.121) 11.954 15.313 ( 2.338 -4.033 -0.468) 4.685 15.313 ( 2.338 4.033 -0.468) 4.685 15.541 ( -0.488 -6.087 1.974) 6.417 15.541 ( -0.488 6.087 1.974) 6.417 15.761 ( 4.618 -1.513 -2.811) 5.613 15.761 ( 4.618 1.513 -2.811) 5.613 16.180 ( -3.085 -2.255 -2.473) 4.552 16.180 ( -3.085 2.255 -2.473) 4.552 16.354 ( -1.322 -1.767 2.188) 3.108 16.354 ( -1.322 1.767 2.188) 3.108 16.739 ( -6.537 -6.002 -1.318) 8.972 16.739 ( -6.537 6.002 -1.318) 8.972 17.052 ( 7.173 -7.737 3.519) 11.122 17.052 ( 7.173 7.737 3.519) 11.122 17.580 ( -0.092 -1.306 -1.960) 2.357 17.580 ( -0.092 1.306 -1.960) 2.357 17.784 ( 2.171 -3.894 -2.021) 4.895 17.784 ( 2.171 3.894 -2.021) 4.895 18.865 ( -2.917 -0.469 0.828) 3.068 18.865 ( -2.917 0.469 0.828) 3.068 19.193 ( 0.732 -3.165 0.737) 3.331 19.193 ( 0.732 3.165 0.737) 3.331 19.469 ( 4.463 -0.909 2.136) 5.030 19.469 ( 4.463 0.909 2.136) 5.030 19.844 ( -2.045 -0.056 -2.731) 3.413 19.844 ( -2.045 0.056 -2.731) 3.413 20.773 ( -0.420 -3.908 -0.083) 3.931 20.773 ( -0.420 3.908 -0.083) 3.931 21.261 ( -0.560 -2.662 1.642) 3.177 21.261 ( -0.560 2.662 1.642) 3.177 23.905 ( -0.391 -0.995 -0.275) 1.104 23.905 ( -0.391 0.995 -0.275) 1.104 24.370 ( 0.129 -0.704 1.534) 1.692 24.370 ( 0.129 0.704 1.534) 1.692 24.899 ( 0.451 -2.684 0.891) 2.864 24.899 ( 0.451 2.684 0.891) 2.864 25.419 ( 3.192 -2.712 -0.322) 4.201 25.419 ( 3.192 2.712 -0.322) 4.201 26.084 ( -5.821 -3.285 -4.306) 7.951 26.084 ( -5.821 3.285 -4.306) 7.951 26.815 ( 1.018 -2.693 3.413) 4.465 26.815 ( 1.018 2.693 3.413) 4.465 27.284 ( 1.039 -4.808 -4.105) 6.406 27.284 ( 1.039 4.808 -4.105) 6.406 28.235 ( -0.544 -1.313 2.932) 3.258 28.235 ( -0.544 1.313 2.932) 3.258 29.147 ( -5.590 -3.215 -0.173) 6.450 29.147 ( -5.590 3.215 -0.173) 6.450 29.474 ( 1.589 -2.317 0.337) 2.829 29.474 ( 1.589 2.317 0.337) 2.829 29.875 ( -0.218 -5.115 -8.702) 10.096 29.875 ( -0.218 5.115 -8.702) 10.096 30.019 ( 5.504 -1.971 7.704) 9.671 30.019 ( 5.504 1.971 7.704) 9.671 31.548 ( 1.870 -2.496 0.408) 3.145 31.548 ( 1.870 2.496 0.408) 3.145 31.656 ( 1.456 -0.658 -0.119) 1.602 31.656 ( 1.456 0.658 -0.119) 1.602 32.334 ( -2.825 -1.065 0.271) 3.032 32.334 ( -2.825 1.065 0.271) 3.032 32.628 ( -2.736 -0.442 -0.277) 2.785 32.628 ( -2.736 0.442 -0.277) 2.785 33.702 ( -1.360 -3.994 -0.579) 4.259 33.702 ( -1.360 3.994 -0.579) 4.259 33.887 ( 2.611 -4.505 1.077) 5.318 33.887 ( 2.611 4.505 1.077) 5.318 34.236 ( -2.418 -4.018 0.493) 4.715 34.236 ( -2.418 4.018 0.493) 4.715 34.448 ( 0.971 -2.915 -1.296) 3.335 34.448 ( 0.971 2.915 -1.296) 3.335 35.733 ( 0.195 -3.300 -0.190) 3.311 35.733 ( 0.195 3.300 -0.190) 3.311 35.882 ( 1.320 -3.264 0.574) 3.567 35.882 ( 1.320 3.264 0.574) 3.567 91.292 ( 0.037 -4.034 -0.257) 4.042 91.292 ( 0.037 4.034 -0.257) 4.042 91.327 ( -0.141 -3.135 -0.337) 3.157 91.327 ( -0.141 3.135 -0.337) 3.157 94.069 ( -2.847 -8.602 0.151) 9.062 94.069 ( -2.847 8.602 0.151) 9.062 94.164 ( 3.314 -10.485 -1.265) 11.068 94.164 ( 3.314 10.485 -1.265) 11.068 94.843 ( 0.058 -2.089 1.790) 2.752 94.843 ( 0.058 2.089 1.790) 2.752 95.649 ( -0.909 -1.443 -0.890) 1.924 95.649 ( -0.909 1.443 -0.890) 1.924 98.087 ( -0.653 -0.192 -0.195) 0.708 98.087 ( -0.653 0.192 -0.195) 0.709 99.222 ( -0.705 -1.217 0.191) 1.420 99.222 ( -0.705 1.217 0.191) 1.420 102.482 ( 0.081 -0.253 -0.006) 0.266 102.482 ( 0.081 0.253 -0.006) 0.266 102.949 ( -0.069 -0.858 0.020) 0.861 102.949 ( -0.069 0.858 0.020) 0.861 107.587 ( 0.079 -0.246 0.059) 0.265 107.587 ( 0.079 0.246 0.059) 0.265 107.746 ( 0.346 -0.140 -0.045) 0.376 107.746 ( 0.346 0.140 -0.045) 0.376 ======================= Grid point 231 (121/126) ======================= q-point: ( 0.25 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.138 ( -36.906 -20.876 -0.723) 42.408 3.138 ( -36.906 20.876 -0.723) 42.408 3.938 ( -31.111 -18.615 -8.592) 37.259 3.938 ( -31.111 18.615 -8.592) 37.259 4.407 ( -3.355 -19.531 -8.489) 21.559 4.407 ( -3.355 19.531 -8.489) 21.559 5.025 ( -3.106 -9.014 7.912) 12.390 5.025 ( -3.106 9.014 7.912) 12.390 5.996 ( -3.230 -12.080 5.211) 13.546 5.996 ( -3.230 12.080 5.211) 13.546 6.305 ( 3.437 -5.745 -0.875) 6.751 6.305 ( 3.437 5.745 -0.875) 6.751 6.708 ( 29.796 -13.660 1.875) 32.832 6.708 ( 29.796 13.660 1.875) 32.832 6.823 ( 34.617 -18.369 0.366) 39.191 6.823 ( 34.617 18.369 0.366) 39.191 7.294 ( 11.707 -1.158 -0.319) 11.769 7.294 ( 11.707 1.158 -0.319) 11.769 7.414 ( -4.263 -3.325 6.790) 8.679 7.414 ( -4.263 3.325 6.790) 8.679 7.709 ( 9.795 -11.936 -0.957) 15.470 7.709 ( 9.795 11.936 -0.957) 15.470 8.025 ( 1.570 -7.783 -0.458) 7.953 8.025 ( 1.570 7.783 -0.458) 7.953 8.369 ( 8.026 -10.087 2.490) 13.129 8.369 ( 8.026 10.087 2.490) 13.129 8.499 ( 0.683 -14.614 -0.485) 14.638 8.499 ( 0.683 14.614 -0.485) 14.638 8.686 ( 2.295 -3.865 -0.597) 4.535 8.686 ( 2.295 3.865 -0.597) 4.535 8.894 ( -12.329 -13.757 0.689) 18.486 8.894 ( -12.329 13.757 0.689) 18.486 9.105 ( -6.469 -10.933 1.190) 12.760 9.105 ( -6.469 10.933 1.190) 12.760 9.522 ( 1.762 -2.234 -3.984) 4.896 9.522 ( 1.762 2.234 -3.984) 4.896 10.090 ( -33.239 -5.178 -0.249) 33.640 10.090 ( -33.239 5.178 -0.249) 33.640 10.544 ( -21.442 -6.497 -2.456) 22.539 10.544 ( -21.442 6.497 -2.456) 22.539 11.027 ( -0.806 -2.914 -0.643) 3.091 11.027 ( -0.806 2.914 -0.643) 3.091 11.177 ( -1.620 -3.418 -4.374) 5.782 11.177 ( -1.620 3.418 -4.374) 5.782 11.480 ( 3.954 -3.483 -2.950) 6.039 11.480 ( 3.954 3.483 -2.950) 6.039 11.743 ( 4.533 -1.885 0.931) 4.996 11.743 ( 4.533 1.885 0.931) 4.996 12.241 ( 7.747 -6.270 -1.640) 10.101 12.241 ( 7.747 6.270 -1.640) 10.101 12.429 ( 8.955 -1.142 4.892) 10.268 12.429 ( 8.955 1.142 4.892) 10.268 12.590 ( -2.145 -6.034 -1.462) 6.568 12.590 ( -2.145 6.034 -1.462) 6.568 12.841 ( 6.635 -10.572 4.457) 13.253 12.841 ( 6.635 10.572 4.457) 13.253 13.464 ( 5.923 -3.140 3.660) 7.637 13.464 ( 5.923 3.140 3.660) 7.637 13.721 ( 2.088 -5.505 -1.441) 6.061 13.721 ( 2.088 5.505 -1.441) 6.061 14.057 ( -2.630 -4.943 0.254) 5.605 14.057 ( -2.630 4.943 0.254) 5.605 14.178 ( -1.174 -10.281 -0.279) 10.352 14.178 ( -1.174 10.281 -0.279) 10.352 14.524 ( -3.512 -4.091 2.612) 5.991 14.524 ( -3.512 4.091 2.612) 5.991 14.971 ( -3.208 -2.965 2.212) 4.896 14.971 ( -3.208 2.965 2.212) 4.896 15.221 ( -7.328 -2.076 3.249) 8.280 15.221 ( -7.328 2.076 3.249) 8.280 15.302 ( 2.644 -3.416 -4.029) 5.907 15.302 ( 2.644 3.416 -4.029) 5.907 15.609 ( 5.147 -5.451 0.350) 7.505 15.609 ( 5.147 5.451 0.350) 7.505 15.803 ( 1.812 -2.355 2.336) 3.780 15.803 ( 1.812 2.355 2.336) 3.780 16.087 ( -2.343 -3.092 -2.977) 4.890 16.087 ( -2.343 3.092 -2.977) 4.890 16.377 ( -0.399 -5.129 3.033) 5.972 16.377 ( -0.399 5.129 3.033) 5.972 16.663 ( -1.821 -4.721 -1.733) 5.348 16.663 ( -1.821 4.721 -1.733) 5.348 17.149 ( -0.307 -10.600 1.822) 10.760 17.149 ( -0.307 10.600 1.822) 10.760 17.523 ( 3.771 -1.710 -9.467) 10.332 17.523 ( 3.771 1.710 -9.467) 10.332 17.779 ( 1.524 -3.761 -2.702) 4.876 17.779 ( 1.524 3.761 -2.702) 4.876 18.834 ( -3.061 -0.559 1.398) 3.411 18.834 ( -3.061 0.559 1.398) 3.411 19.233 ( 1.118 -3.807 2.944) 4.941 19.233 ( 1.118 3.807 2.944) 4.941 19.597 ( 6.660 -1.163 3.698) 7.706 19.597 ( 6.660 1.163 3.698) 7.706 19.731 ( -4.158 -1.219 -6.656) 7.942 19.731 ( -4.158 1.219 -6.656) 7.942 20.803 ( 0.286 -8.161 5.562) 9.881 20.803 ( 0.286 8.161 5.562) 9.881 21.292 ( -1.200 -5.606 4.324) 7.180 21.292 ( -1.200 5.606 4.324) 7.180 23.892 ( -0.156 -0.655 -0.684) 0.960 23.892 ( -0.156 0.655 -0.684) 0.960 24.434 ( -0.205 -0.988 8.143) 8.205 24.434 ( -0.205 0.988 8.143) 8.205 24.915 ( 0.811 -3.012 -0.627) 3.182 24.915 ( 0.811 3.012 -0.627) 3.182 25.469 ( 4.393 -4.913 -1.151) 6.690 25.469 ( 4.393 4.913 -1.151) 6.690 25.889 ( -6.045 -6.229 -9.630) 12.965 25.889 ( -6.045 6.229 -9.630) 12.965 26.797 ( -2.940 -2.652 -6.178) 7.338 26.797 ( -2.940 2.652 -6.178) 7.338 27.296 ( 4.382 -8.153 2.007) 9.471 27.296 ( 4.382 8.153 2.007) 9.471 28.277 ( -2.229 -3.262 4.875) 6.275 28.277 ( -2.229 3.262 4.875) 6.275 28.990 ( -6.069 -2.294 -8.506) 10.698 28.990 ( -6.069 2.294 -8.506) 10.698 29.553 ( 1.031 -2.763 6.881) 7.486 29.553 ( 1.031 2.763 6.881) 7.486 29.820 ( 4.256 -6.598 -3.871) 8.754 29.820 ( 4.256 6.598 -3.871) 8.754 30.149 ( 2.602 -3.982 2.681) 5.460 30.149 ( 2.602 3.982 2.681) 5.460 31.584 ( 3.069 -4.003 -0.580) 5.077 31.584 ( 3.069 4.003 -0.580) 5.077 31.693 ( 2.995 -1.306 0.772) 3.358 31.693 ( 2.995 1.306 0.772) 3.358 32.286 ( -4.868 -2.592 1.230) 5.651 32.286 ( -4.868 2.592 1.230) 5.651 32.567 ( -4.245 -1.581 -1.064) 4.653 32.567 ( -4.245 1.581 -1.064) 4.653 33.673 ( -0.707 -6.054 -1.107) 6.195 33.673 ( -0.707 6.054 -1.107) 6.195 33.949 ( 2.750 -5.535 1.414) 6.340 33.949 ( 2.750 5.535 1.414) 6.340 34.209 ( -2.897 -6.662 1.840) 7.494 34.209 ( -2.897 6.662 1.840) 7.494 34.436 ( 0.963 -3.960 -2.639) 4.855 34.436 ( 0.963 3.960 -2.639) 4.855 35.731 ( 0.754 -2.191 -0.879) 2.478 35.731 ( 0.754 2.191 -0.879) 2.478 35.927 ( 1.264 -3.821 2.678) 4.834 35.927 ( 1.264 3.821 2.678) 4.834 91.278 ( -0.036 -8.487 -1.942) 8.706 91.278 ( -0.036 8.487 -1.942) 8.706 91.314 ( -0.194 -6.985 -1.112) 7.076 91.314 ( -0.194 6.985 -1.112) 7.076 94.030 ( -1.680 -7.856 -0.737) 8.067 94.030 ( -1.680 7.856 -0.737) 8.067 94.177 ( 1.949 -9.731 -2.838) 10.322 94.177 ( 1.949 9.731 -2.838) 10.322 94.904 ( 0.845 -6.992 6.568) 9.630 94.904 ( 0.845 6.992 6.568) 9.630 95.600 ( -1.558 -6.507 -3.740) 7.666 95.600 ( -1.558 6.507 -3.740) 7.666 98.065 ( -0.919 -0.611 -1.270) 1.683 98.065 ( -0.919 0.611 -1.270) 1.683 99.218 ( -0.988 -1.642 1.100) 2.210 99.218 ( -0.988 1.642 1.100) 2.210 102.484 ( 0.121 -0.460 -0.001) 0.475 102.484 ( 0.121 0.460 -0.001) 0.475 102.948 ( -0.101 -1.372 0.077) 1.378 102.948 ( -0.101 1.372 0.077) 1.378 107.590 ( 0.135 -0.407 0.102) 0.441 107.590 ( 0.135 0.407 0.102) 0.441 107.752 ( 0.464 -0.176 -0.059) 0.500 107.752 ( 0.464 0.176 -0.059) 0.500 ======================= Grid point 233 (122/126) ======================= q-point: ( 0.38 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( -24.465 -12.897 -1.184) 27.682 2.666 ( -24.465 12.897 -1.184) 27.682 3.476 ( -17.920 -10.256 -6.692) 21.705 3.476 ( -17.920 10.256 -6.692) 21.705 4.276 ( -0.113 -15.389 -7.917) 17.307 4.276 ( -0.113 15.389 -7.917) 17.306 5.007 ( -5.223 -10.272 0.089) 11.524 5.007 ( -5.223 10.272 0.089) 11.524 6.061 ( -0.724 -7.708 10.409) 12.972 6.061 ( -0.724 7.708 10.409) 12.972 6.275 ( -5.282 -5.980 1.912) 8.204 6.275 ( -5.282 5.980 1.912) 8.204 7.124 ( 17.819 -7.180 1.493) 19.269 7.124 ( 17.819 7.181 1.493) 19.269 7.254 ( 20.713 -9.107 1.892) 22.706 7.254 ( 20.713 9.107 1.892) 22.706 7.452 ( 3.288 -1.876 3.872) 5.415 7.452 ( 3.288 1.876 3.872) 5.415 7.541 ( 21.498 -10.339 -1.858) 23.927 7.541 ( 21.498 10.339 -1.858) 23.927 7.874 ( 10.454 -2.384 1.024) 10.771 7.874 ( 10.454 2.384 1.024) 10.771 8.039 ( 2.450 -7.758 1.773) 8.327 8.039 ( 2.450 7.758 1.773) 8.327 8.418 ( -3.680 -7.233 -2.720) 8.559 8.418 ( -3.680 7.233 -2.720) 8.559 8.518 ( -3.782 -20.947 -1.891) 21.369 8.518 ( -3.782 20.947 -1.891) 21.369 8.633 ( -6.542 -15.449 -2.284) 16.932 8.633 ( -6.542 15.449 -2.284) 16.932 8.747 ( 1.359 -4.251 1.061) 4.587 8.747 ( 1.359 4.251 1.061) 4.587 9.072 ( -6.401 -12.142 3.926) 14.276 9.072 ( -6.401 12.142 3.926) 14.276 9.547 ( 5.639 -2.579 -0.554) 6.225 9.547 ( 5.639 2.579 -0.554) 6.225 9.655 ( -22.121 -9.824 0.799) 24.217 9.655 ( -22.121 9.824 0.799) 24.217 10.195 ( -22.377 -2.435 -1.840) 22.585 10.195 ( -22.377 2.435 -1.840) 22.585 10.982 ( -0.038 -1.230 -5.809) 5.938 10.982 ( -0.038 1.230 -5.809) 5.938 11.080 ( -2.413 -2.418 -3.754) 5.076 11.080 ( -2.413 2.418 -3.754) 5.076 11.549 ( 8.489 -5.694 -1.259) 10.299 11.549 ( 8.489 5.694 -1.259) 10.299 11.775 ( -2.418 -4.872 0.836) 5.503 11.775 ( -2.418 4.872 0.836) 5.503 12.299 ( 5.532 -4.453 -2.617) 7.568 12.299 ( 5.532 4.453 -2.617) 7.568 12.503 ( -5.795 -4.118 -2.073) 7.405 12.503 ( -5.795 4.118 -2.073) 7.405 12.594 ( 3.573 -5.648 6.667) 9.441 12.594 ( 3.573 5.648 6.667) 9.441 13.005 ( 8.741 -11.742 -0.999) 14.672 13.005 ( 8.741 11.742 -0.999) 14.672 13.605 ( 1.405 -4.499 3.589) 5.925 13.605 ( 1.405 4.499 3.589) 5.925 13.702 ( 5.419 -6.923 0.192) 8.794 13.702 ( 5.419 6.923 0.192) 8.794 14.016 ( -7.183 -10.416 1.318) 12.721 14.016 ( -7.183 10.416 1.318) 12.721 14.238 ( 6.735 -5.103 4.653) 9.647 14.238 ( 6.735 5.103 4.653) 9.647 14.546 ( -1.847 -1.072 4.551) 5.027 14.546 ( -1.847 1.072 4.551) 5.027 14.987 ( 2.707 -5.144 0.658) 5.850 14.987 ( 2.707 5.144 0.658) 5.850 15.100 ( -13.751 -7.966 4.508) 16.518 15.100 ( -13.751 7.966 4.508) 16.518 15.263 ( 1.636 -9.532 -7.866) 12.466 15.263 ( 1.636 9.532 -7.866) 12.466 15.648 ( 1.560 -2.676 -0.029) 3.098 15.648 ( 1.560 2.676 -0.029) 3.098 15.890 ( 1.893 -4.305 6.316) 7.874 15.890 ( 1.893 4.305 6.316) 7.874 16.063 ( 1.966 -0.977 -1.298) 2.551 16.063 ( 1.966 0.977 -1.298) 2.551 16.424 ( 0.682 -6.793 4.363) 8.102 16.424 ( 0.682 6.793 4.363) 8.102 16.605 ( -1.971 -4.487 -4.541) 6.681 16.605 ( -1.971 4.487 -4.541) 6.681 17.060 ( -5.411 -7.332 -7.529) 11.820 17.060 ( -5.411 7.332 -7.529) 11.820 17.504 ( 6.819 -1.753 -5.589) 8.990 17.504 ( 6.819 1.753 -5.589) 8.990 17.760 ( -0.140 -2.168 -1.798) 2.820 17.760 ( -0.140 2.168 -1.798) 2.820 18.816 ( -1.828 -1.159 1.431) 2.595 18.816 ( -1.828 1.159 1.431) 2.595 19.280 ( -0.245 -2.727 2.486) 3.698 19.280 ( -0.245 2.727 2.486) 3.698 19.577 ( -2.604 -2.372 -5.761) 6.753 19.577 ( -2.604 2.372 -5.761) 6.753 19.743 ( 4.751 -1.235 2.875) 5.689 19.743 ( 4.751 1.235 2.875) 5.689 20.923 ( 2.702 -7.773 9.634) 12.670 20.923 ( 2.702 7.773 9.634) 12.670 21.314 ( -2.629 -5.514 2.774) 6.709 21.314 ( -2.629 5.514 2.774) 6.709 23.891 ( 0.423 -0.952 0.401) 1.116 23.891 ( 0.423 0.952 0.401) 1.116 24.536 ( -1.943 -1.112 7.889) 8.200 24.536 ( -1.943 1.112 7.889) 8.200 24.913 ( 0.204 -1.647 1.560) 2.277 24.913 ( 0.204 1.647 1.560) 2.277 25.498 ( 5.465 -6.019 -6.922) 10.677 25.498 ( 5.465 6.019 -6.922) 10.677 25.726 ( -2.806 -3.332 -4.614) 6.345 25.726 ( -2.806 3.332 -4.614) 6.345 26.605 ( -5.921 -4.301 -11.179) 13.361 26.605 ( -5.921 4.301 -11.179) 13.361 27.454 ( 8.651 -1.341 6.713) 11.032 27.454 ( 8.651 1.341 6.713) 11.032 28.228 ( -8.506 -7.538 -2.108) 11.559 28.228 ( -8.506 7.538 -2.108) 11.559 28.844 ( -1.182 -3.966 -3.732) 5.573 28.844 ( -1.182 3.966 -3.732) 5.573 29.641 ( 0.577 -2.075 4.891) 5.344 29.641 ( 0.577 2.075 4.891) 5.344 29.879 ( 5.841 -6.855 -0.126) 9.007 29.879 ( 5.841 6.855 -0.126) 9.007 30.161 ( -1.635 -5.581 -1.055) 5.910 30.161 ( -1.635 5.581 -1.055) 5.910 31.621 ( 2.633 -2.624 -0.289) 3.728 31.621 ( 2.633 2.624 -0.289) 3.728 31.747 ( 2.678 -1.296 0.493) 3.016 31.747 ( 2.678 1.296 0.493) 3.016 32.237 ( -4.162 -1.571 2.026) 4.888 32.237 ( -4.162 1.571 2.026) 4.888 32.489 ( -3.412 -1.854 -1.978) 4.358 32.489 ( -3.412 1.854 -1.978) 4.358 33.661 ( 0.250 -4.523 -0.285) 4.539 33.661 ( 0.250 4.523 -0.285) 4.539 33.984 ( 0.770 -3.414 -0.063) 3.500 33.984 ( 0.770 3.414 -0.063) 3.500 34.213 ( -1.386 -7.466 3.949) 8.559 34.213 ( -1.386 7.466 3.949) 8.559 34.412 ( 0.996 -4.595 -3.327) 5.760 34.412 ( 0.996 4.595 -3.327) 5.760 35.735 ( 0.788 -1.766 -0.363) 1.967 35.735 ( 0.788 1.766 -0.363) 1.967 35.973 ( 0.502 -2.811 2.279) 3.653 35.973 ( 0.502 2.811 2.279) 3.653 91.246 ( -0.102 -4.334 -2.639) 5.075 91.246 ( -0.102 4.334 -2.639) 5.075 91.297 ( -0.103 -3.116 -1.106) 3.308 91.297 ( -0.103 3.116 -1.106) 3.308 94.008 ( -0.437 -5.938 -0.384) 5.966 94.008 ( -0.437 5.938 -0.384) 5.966 94.154 ( 0.573 -7.537 -3.178) 8.200 94.154 ( 0.573 7.537 -3.178) 8.200 95.020 ( 1.017 -10.532 8.897) 13.825 95.020 ( 1.017 10.532 8.897) 13.825 95.516 ( -1.295 -9.106 -5.982) 10.971 95.516 ( -1.295 9.106 -5.982) 10.971 98.034 ( -0.681 -0.661 -1.501) 1.776 98.034 ( -0.681 0.661 -1.501) 1.776 99.221 ( -0.681 -1.205 1.284) 1.888 99.221 ( -0.681 1.205 1.284) 1.888 102.485 ( 0.096 -0.407 0.013) 0.419 102.485 ( 0.096 0.407 0.013) 0.419 102.948 ( -0.082 -1.042 0.073) 1.048 102.948 ( -0.082 1.042 0.073) 1.048 107.593 ( 0.089 -0.384 0.121) 0.413 107.593 ( 0.089 0.384 0.121) 0.413 107.757 ( 0.328 -0.149 -0.070) 0.367 107.757 ( 0.328 0.149 -0.070) 0.367 ======================= Grid point 235 (123/126) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( -0.349 -2.475 -0.992) 2.689 2.462 ( -0.349 2.475 -0.992) 2.689 3.279 ( -0.450 -0.656 -3.086) 3.187 3.279 ( -0.450 0.656 -3.086) 3.187 4.198 ( -1.523 -5.377 -2.783) 6.243 4.198 ( -1.523 5.377 -2.783) 6.243 4.955 ( 3.386 -8.006 -3.488) 9.366 4.955 ( 3.386 8.006 -3.488) 9.366 6.182 ( -1.344 -3.929 7.259) 8.363 6.182 ( -1.344 3.929 7.259) 8.363 6.245 ( 0.923 -3.424 0.639) 3.604 6.245 ( 0.923 3.424 0.639) 3.604 7.303 ( 3.159 -6.191 3.198) 7.651 7.303 ( 3.159 6.191 3.198) 7.651 7.347 ( -3.379 -3.175 0.997) 4.742 7.347 ( -3.379 3.175 0.997) 4.742 7.572 ( -2.751 -2.237 5.299) 6.376 7.572 ( -2.751 2.237 5.299) 6.376 7.731 ( 0.493 -0.145 -6.046) 6.068 7.731 ( 0.493 0.145 -6.046) 6.068 8.010 ( 9.967 -13.583 4.595) 17.463 8.010 ( 9.967 13.583 4.595) 17.463 8.118 ( -11.968 -12.239 -0.838) 17.138 8.118 ( -11.968 12.239 -0.838) 17.138 8.218 ( 5.079 -8.827 -4.191) 11.013 8.218 ( 5.079 8.827 -4.191) 11.013 8.432 ( -3.680 -5.995 -0.051) 7.034 8.432 ( -3.680 5.995 -0.051) 7.034 8.550 ( 0.312 -2.225 -1.337) 2.614 8.550 ( 0.312 2.225 -1.337) 2.614 8.902 ( -9.566 -6.775 1.690) 11.844 8.902 ( -9.566 6.775 1.690) 11.844 8.951 ( 11.098 -5.264 -1.115) 12.334 8.951 ( 11.098 5.264 -1.115) 12.334 9.476 ( -0.604 -3.482 2.645) 4.414 9.476 ( -0.604 3.482 2.645) 4.414 9.751 ( 3.919 -3.459 3.098) 6.076 9.751 ( 3.919 3.459 3.098) 6.076 9.904 ( -2.275 -0.701 -4.053) 4.700 9.904 ( -2.275 0.701 -4.053) 4.700 10.899 ( 0.470 -2.321 -5.992) 6.443 10.899 ( 0.470 2.321 -5.992) 6.443 11.036 ( -0.394 -0.398 -0.572) 0.801 11.036 ( -0.394 0.398 -0.572) 0.801 11.648 ( 1.449 -2.977 -0.218) 3.318 11.648 ( 1.449 2.977 -0.218) 3.318 11.718 ( -0.864 -1.190 -0.309) 1.503 11.718 ( -0.864 1.190 -0.309) 1.503 12.349 ( -0.403 -1.114 0.107) 1.189 12.349 ( -0.403 1.114 0.107) 1.189 12.385 ( -1.824 -1.249 -1.831) 2.871 12.385 ( -1.824 1.249 -1.831) 2.871 12.717 ( 2.430 -4.296 4.250) 6.513 12.717 ( 2.430 4.296 4.250) 6.513 12.999 ( -5.319 -0.705 -1.516) 5.575 12.999 ( -5.319 0.705 -1.516) 5.575 13.648 ( 3.299 -3.195 0.893) 4.679 13.648 ( 3.299 3.195 0.893) 4.679 13.851 ( 1.334 -7.050 2.599) 7.632 13.851 ( 1.334 7.050 2.599) 7.632 13.915 ( 0.149 -10.302 -1.505) 10.413 13.915 ( 0.149 10.302 -1.505) 10.413 14.384 ( 1.588 -3.303 3.006) 4.740 14.384 ( 1.588 3.303 3.006) 4.740 14.582 ( -0.042 -1.882 5.913) 6.205 14.582 ( -0.042 1.882 5.913) 6.205 14.941 ( -8.056 -6.788 -0.021) 10.534 14.941 ( -8.056 6.788 -0.021) 10.534 15.081 ( 4.513 -7.215 1.698) 8.678 15.081 ( 4.513 7.215 1.698) 8.678 15.181 ( 0.899 -9.462 -6.005) 11.243 15.181 ( 0.899 9.462 -6.005) 11.243 15.685 ( 1.127 -2.285 2.058) 3.275 15.685 ( 1.127 2.285 2.058) 3.275 15.965 ( -0.350 -7.771 1.054) 7.850 15.965 ( -0.350 7.771 1.054) 7.850 16.109 ( 2.478 -4.308 4.503) 6.706 16.109 ( 2.478 4.308 4.503) 6.706 16.464 ( -0.857 -5.357 -6.897) 8.775 16.464 ( -0.857 5.357 -6.897) 8.775 16.523 ( -1.201 -5.843 5.069) 7.828 16.523 ( -1.201 5.843 5.069) 7.828 16.885 ( -2.001 -4.350 -8.790) 10.010 16.885 ( -2.001 4.350 -8.790) 10.010 17.530 ( 1.532 -0.983 -2.007) 2.709 17.530 ( 1.532 0.983 -2.007) 2.709 17.738 ( -0.188 -1.015 -0.609) 1.198 17.738 ( -0.188 1.015 -0.609) 1.198 18.816 ( -0.280 -0.896 0.928) 1.320 18.816 ( -0.280 0.896 0.928) 1.320 19.282 ( -0.926 -0.915 0.472) 1.385 19.282 ( -0.926 0.915 0.472) 1.385 19.516 ( -0.562 -0.942 -1.126) 1.572 19.516 ( -0.562 0.942 -1.126) 1.572 19.807 ( 1.236 -0.780 0.350) 1.503 19.807 ( 1.236 0.780 0.350) 1.503 21.096 ( 2.924 -3.227 8.712) 9.740 21.096 ( 2.924 3.227 8.712) 9.740 21.280 ( -2.291 -1.964 -1.393) 3.324 21.280 ( -2.291 1.964 -1.393) 3.324 23.906 ( 0.140 -1.000 0.763) 1.265 23.906 ( 0.140 1.000 0.763) 1.265 24.548 ( -1.355 -0.576 0.394) 1.524 24.548 ( -1.355 0.576 0.394) 1.524 25.019 ( 0.194 -1.527 13.393) 13.481 25.019 ( 0.194 1.527 13.393) 13.481 25.408 ( 2.757 -3.628 -16.623) 17.236 25.408 ( 2.757 3.628 -16.623) 17.236 25.692 ( -1.081 -0.588 1.444) 1.897 25.692 ( -1.081 0.588 1.444) 1.897 26.421 ( -1.925 -3.175 -5.985) 7.043 26.421 ( -1.925 3.175 -5.985) 7.043 27.664 ( 5.801 -2.729 5.364) 8.359 27.664 ( 5.801 2.729 5.364) 8.359 28.034 ( -5.974 -6.026 -5.339) 10.025 28.034 ( -5.974 6.026 -5.339) 10.025 28.841 ( 0.804 -2.491 1.037) 2.815 28.841 ( 0.804 2.491 1.037) 2.815 29.690 ( 0.553 -0.739 1.300) 1.594 29.690 ( 0.553 0.739 1.300) 1.594 29.932 ( 0.929 -2.185 -1.064) 2.602 29.932 ( 0.929 2.185 -1.064) 2.602 30.121 ( -1.047 -1.576 0.126) 1.896 30.121 ( -1.047 1.576 0.126) 1.896 31.641 ( -0.006 -0.683 -0.014) 0.683 31.641 ( -0.006 0.683 -0.014) 0.683 31.768 ( -0.482 -0.639 0.308) 0.858 31.768 ( -0.482 0.639 0.308) 0.858 32.232 ( 0.167 -1.886 1.779) 2.598 32.232 ( 0.167 1.886 1.779) 2.598 32.436 ( 0.111 -1.468 -1.853) 2.366 32.436 ( 0.111 1.468 -1.853) 2.366 33.665 ( 0.047 -1.024 0.106) 1.031 33.665 ( 0.047 1.024 0.106) 1.031 33.980 ( -0.530 -1.428 -0.186) 1.535 33.980 ( -0.530 1.428 -0.186) 1.535 34.257 ( -0.293 -5.852 4.180) 7.197 34.257 ( -0.293 5.852 4.180) 7.197 34.380 ( 0.868 -4.879 -3.772) 6.228 34.380 ( 0.868 4.879 -3.772) 6.228 35.739 ( -0.095 -1.518 0.004) 1.521 35.739 ( -0.095 1.518 0.004) 1.521 35.998 ( 0.175 -1.766 1.066) 2.070 35.998 ( 0.175 1.766 1.066) 2.070 91.216 ( -0.072 -0.275 -1.582) 1.608 91.216 ( -0.072 0.275 -1.582) 1.608 91.285 ( -0.012 -0.639 -0.658) 0.917 91.285 ( -0.012 0.639 -0.658) 0.917 94.002 ( -0.229 -3.186 -0.009) 3.194 94.002 ( -0.229 3.186 -0.009) 3.194 94.126 ( 0.441 -4.780 -1.940) 5.178 94.126 ( 0.441 4.780 -1.940) 5.178 95.137 ( -0.732 -9.882 8.033) 12.756 95.137 ( -0.732 9.882 8.033) 12.756 95.425 ( 0.533 -8.513 -6.420) 10.675 95.425 ( 0.533 8.513 -6.420) 10.675 98.013 ( -0.090 -0.356 -0.837) 0.914 98.013 ( -0.090 0.356 -0.837) 0.914 99.230 ( 0.058 -0.484 0.723) 0.872 99.230 ( 0.058 0.484 0.723) 0.872 102.486 ( 0.005 -0.153 0.010) 0.153 102.486 ( 0.005 0.153 0.010) 0.153 102.948 ( -0.001 -0.128 0.040) 0.134 102.948 ( -0.001 0.128 0.040) 0.134 107.595 ( -0.038 -0.200 0.093) 0.224 107.595 ( -0.038 0.200 0.093) 0.224 107.759 ( 0.034 -0.154 -0.060) 0.169 107.759 ( 0.034 0.154 -0.060) 0.169 ======================= Grid point 237 (124/126) ======================= q-point: (-0.38 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( 23.657 -13.188 0.864) 27.098 2.639 ( 23.657 13.188 0.864) 27.098 3.378 ( 14.902 -11.446 1.351) 18.839 3.378 ( 14.902 11.446 1.351) 18.839 4.173 ( 0.069 -21.815 1.855) 21.893 4.173 ( 0.069 21.815 1.855) 21.893 5.039 ( 13.504 -18.474 -3.516) 23.152 5.039 ( 13.504 18.474 -3.516) 23.152 6.180 ( -2.594 -9.686 0.012) 10.027 6.180 ( -2.594 9.686 0.012) 10.027 6.316 ( 5.754 -8.806 -1.025) 10.569 6.316 ( 5.754 8.806 -1.025) 10.569 7.145 ( -22.610 -3.461 -0.541) 22.880 7.145 ( -22.610 3.461 -0.541) 22.880 7.292 ( -22.554 -10.889 -1.046) 25.067 7.292 ( -22.554 10.889 -1.046) 25.067 7.455 ( -17.562 -8.736 4.775) 20.188 7.455 ( -17.562 8.736 4.775) 20.188 7.517 ( -4.977 -4.404 -0.750) 6.688 7.517 ( -4.977 4.404 -0.750) 6.688 7.912 ( -8.613 -2.338 -2.386) 9.239 7.912 ( -8.613 2.339 -2.386) 9.239 8.125 ( -4.381 -5.392 -6.240) 9.338 8.125 ( -4.381 5.392 -6.240) 9.338 8.294 ( 7.633 -8.885 8.151) 14.271 8.294 ( 7.633 8.885 8.151) 14.271 8.481 ( 5.197 -24.253 0.982) 24.823 8.481 ( 5.197 24.253 0.982) 24.823 8.616 ( 1.204 -10.315 0.058) 10.385 8.616 ( 1.204 10.315 0.058) 10.385 8.750 ( 2.254 -4.069 0.588) 4.688 8.750 ( 2.254 4.069 0.588) 4.688 9.146 ( 8.470 -9.800 -2.388) 13.172 9.146 ( 8.470 9.800 -2.388) 13.172 9.555 ( -11.447 -3.624 -0.726) 12.029 9.555 ( -11.447 3.624 -0.726) 12.029 9.676 ( 22.730 -7.840 -0.917) 24.062 9.676 ( 22.730 7.840 -0.917) 24.062 10.177 ( 25.031 -0.589 -0.315) 25.040 10.177 ( 25.031 0.589 -0.315) 25.040 10.878 ( 1.830 -2.870 1.105) 3.579 10.878 ( 1.830 2.870 1.105) 3.579 11.045 ( 1.539 -2.192 0.493) 2.723 11.045 ( 1.539 2.192 0.493) 2.723 11.547 ( -8.573 -5.006 -0.651) 9.949 11.547 ( -8.573 5.006 -0.651) 9.949 11.783 ( 3.904 -5.599 -0.165) 6.827 11.783 ( 3.904 5.599 -0.165) 6.827 12.254 ( -7.304 -3.467 1.296) 8.188 12.254 ( -7.304 3.467 1.296) 8.188 12.452 ( 3.686 -3.051 2.171) 5.254 12.452 ( 3.686 3.051 2.171) 5.254 12.699 ( -6.437 -2.682 -3.324) 7.725 12.699 ( -6.437 2.682 -3.324) 7.725 12.934 ( -5.339 -10.973 5.398) 13.344 12.934 ( -5.339 10.973 5.398) 13.344 13.654 ( -4.964 -3.818 -0.800) 6.313 13.654 ( -4.964 3.818 -0.800) 6.313 13.763 ( -0.276 -5.119 -4.300) 6.691 13.763 ( -0.276 5.119 -4.300) 6.691 14.033 ( 8.763 -12.091 -0.464) 14.940 14.033 ( 8.763 12.091 -0.464) 14.940 14.318 ( -8.751 -3.845 -1.884) 9.742 14.318 ( -8.751 3.845 -1.884) 9.742 14.652 ( 3.097 -4.942 -3.182) 6.644 14.652 ( 3.097 4.942 -3.182) 6.644 14.902 ( -4.202 -4.937 7.983) 10.284 14.902 ( -4.202 4.937 7.983) 10.284 15.116 ( 0.644 -7.098 0.686) 7.160 15.116 ( 0.644 7.098 0.686) 7.160 15.226 ( 11.332 -7.623 -2.985) 13.980 15.226 ( 11.332 7.623 -2.985) 13.980 15.695 ( -0.293 -1.068 -2.691) 2.910 15.695 ( -0.293 1.068 -2.691) 2.910 15.930 ( -3.867 -3.834 0.920) 5.523 15.930 ( -3.867 3.834 0.920) 5.523 16.148 ( 0.187 -4.099 -5.198) 6.622 16.148 ( 0.187 4.099 -5.198) 6.622 16.429 ( 1.574 -6.423 4.046) 7.752 16.429 ( 1.574 6.423 4.046) 7.752 16.557 ( -0.077 -5.544 -1.022) 5.638 16.557 ( -0.077 5.544 -1.022) 5.638 16.856 ( 2.623 -4.075 5.772) 7.537 16.856 ( 2.623 4.075 5.772) 7.537 17.469 ( -6.259 -4.844 -1.762) 8.108 17.469 ( -6.259 4.844 -1.762) 8.108 17.748 ( 1.292 -3.003 0.250) 3.279 17.748 ( 1.292 3.003 0.250) 3.279 18.830 ( 1.114 -0.151 0.190) 1.140 18.830 ( 1.114 0.151 0.190) 1.140 19.295 ( 1.083 -0.201 1.009) 1.494 19.295 ( 1.083 0.201 1.009) 1.494 19.505 ( -0.620 -1.121 1.116) 1.699 19.505 ( -0.620 1.121 1.116) 1.699 19.791 ( -2.296 -0.192 -1.769) 2.905 19.791 ( -2.296 0.192 -1.769) 2.905 21.102 ( -4.046 -4.972 -4.946) 8.097 21.102 ( -4.046 4.972 -4.946) 8.097 21.314 ( 4.452 -1.636 2.600) 5.409 21.314 ( 4.452 1.636 2.600) 5.409 23.904 ( -0.853 -0.724 -0.332) 1.167 23.904 ( -0.853 0.724 -0.332) 1.167 24.577 ( 3.562 -2.266 2.053) 4.694 24.577 ( 3.562 2.266 2.053) 4.694 25.120 ( -2.133 -0.963 -8.767) 9.073 25.120 ( -2.133 0.963 -8.767) 9.073 25.261 ( -1.273 -4.537 5.469) 7.219 25.261 ( -1.273 4.537 5.469) 7.219 25.686 ( -1.877 -2.773 1.187) 3.553 25.686 ( -1.877 2.773 1.187) 3.553 26.435 ( 5.381 -2.033 3.403) 6.683 26.435 ( 5.381 2.033 3.403) 6.683 27.599 ( -9.262 -3.844 -6.195) 11.787 27.599 ( -9.262 3.844 -6.195) 11.787 28.112 ( 10.972 -4.849 6.595) 13.689 28.112 ( 10.972 4.849 6.595) 13.689 28.846 ( -0.163 -1.091 -1.538) 1.893 28.846 ( -0.163 1.091 -1.538) 1.893 29.689 ( -1.006 -0.424 -0.822) 1.366 29.689 ( -1.006 0.424 -0.822) 1.366 29.887 ( -4.377 -4.011 -0.451) 5.954 29.887 ( -4.377 4.011 -0.451) 5.954 30.144 ( 2.184 -4.600 0.733) 5.145 30.144 ( 2.184 4.600 0.733) 5.145 31.615 ( -3.411 -1.828 0.196) 3.875 31.615 ( -3.411 1.828 0.196) 3.875 31.749 ( -2.492 -1.520 0.313) 2.936 31.749 ( -2.492 1.520 0.313) 2.936 32.272 ( 3.752 -4.486 -0.523) 5.872 32.272 ( 3.752 4.486 -0.523) 5.872 32.458 ( 4.107 -4.402 0.243) 6.025 32.458 ( 4.107 4.402 0.243) 6.025 33.658 ( -0.874 -4.489 -0.046) 4.574 33.658 ( -0.874 4.489 -0.046) 4.574 33.974 ( -0.756 -1.159 0.687) 1.545 33.974 ( -0.756 1.159 0.687) 1.545 34.290 ( 0.471 -1.703 -0.269) 1.787 34.290 ( 0.471 1.703 -0.269) 1.787 34.354 ( 0.130 -0.519 -0.520) 0.746 34.354 ( 0.130 0.519 -0.520) 0.746 35.730 ( -1.139 -1.237 0.125) 1.686 35.730 ( -1.139 1.237 0.125) 1.686 36.005 ( 0.165 -4.564 -0.476) 4.592 36.005 ( 0.165 4.564 -0.476) 4.592 91.208 ( -0.048 -2.361 0.436) 2.402 91.208 ( -0.048 2.361 0.436) 2.402 91.282 ( 0.106 -2.224 0.156) 2.232 91.282 ( 0.106 2.224 0.156) 2.232 93.997 ( -0.762 -3.352 0.386) 3.459 93.997 ( -0.762 3.352 0.386) 3.459 94.124 ( 1.124 -4.221 -0.282) 4.377 94.124 ( 1.124 4.221 -0.282) 4.377 95.154 ( -3.866 -5.834 -0.712) 7.035 95.154 ( -3.866 5.834 -0.712) 7.035 95.414 ( 3.492 -12.536 0.675) 13.031 95.414 ( 3.492 12.536 0.675) 13.031 98.012 ( 0.522 -0.352 0.298) 0.696 98.012 ( 0.522 0.352 0.298) 0.696 99.239 ( 0.788 -1.161 -0.230) 1.422 99.239 ( 0.788 1.161 -0.230) 1.422 102.486 ( -0.098 -0.176 -0.007) 0.202 102.486 ( -0.098 0.176 -0.007) 0.202 102.949 ( 0.095 -1.027 -0.009) 1.031 102.949 ( 0.095 1.027 -0.009) 1.031 107.594 ( -0.174 -0.063 0.035) 0.189 107.594 ( -0.174 0.063 0.035) 0.189 107.756 ( -0.252 -0.303 -0.035) 0.396 107.756 ( -0.252 0.303 -0.035) 0.396 ======================= Grid point 239 (125/126) ======================= q-point: (-0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.096 ( 32.772 -21.972 3.241) 39.589 3.096 ( 32.772 21.972 3.241) 39.589 3.716 ( 22.628 -22.816 8.322) 33.194 3.716 ( 22.628 22.816 8.322) 33.194 4.287 ( 12.816 -27.240 2.583) 30.215 4.287 ( 12.816 27.240 2.583) 30.215 5.200 ( 15.217 -19.898 -6.853) 25.970 5.200 ( 15.217 19.898 -6.853) 25.970 6.117 ( -2.555 -9.169 -4.408) 10.489 6.117 ( -2.555 9.169 -4.408) 10.489 6.307 ( -11.660 -3.725 -0.961) 12.278 6.307 ( -11.660 3.725 -0.961) 12.278 6.717 ( -27.453 -10.985 0.368) 29.571 6.717 ( -27.453 10.985 0.368) 29.571 6.838 ( -31.254 -20.101 -0.641) 37.166 6.838 ( -31.254 20.101 -0.641) 37.166 7.260 ( -14.643 -2.792 2.455) 15.108 7.260 ( -14.643 2.792 2.455) 15.108 7.529 ( 4.083 -2.877 -2.513) 5.591 7.529 ( 4.083 2.877 -2.513) 5.591 7.735 ( -9.199 -10.782 -3.146) 14.518 7.735 ( -9.199 10.782 -3.146) 14.518 8.037 ( -2.263 -9.040 -1.915) 9.514 8.037 ( -2.263 9.040 -1.915) 9.514 8.406 ( -1.634 -7.283 0.258) 7.468 8.406 ( -1.634 7.283 0.258) 7.468 8.467 ( -2.639 -10.153 1.529) 10.602 8.467 ( -2.639 10.153 1.529) 10.602 8.652 ( -0.140 -7.351 2.635) 7.810 8.652 ( -0.140 7.351 2.635) 7.810 8.910 ( 13.518 -10.916 -0.938) 17.400 8.910 ( 13.518 10.916 -0.938) 17.400 9.170 ( 3.350 -6.972 -3.768) 8.604 9.170 ( 3.350 6.972 -3.768) 8.604 9.436 ( -4.495 -0.636 2.751) 5.308 9.436 ( -4.495 0.636 2.751) 5.308 10.102 ( 33.206 -5.351 -0.999) 33.649 10.102 ( 33.206 5.351 -0.999) 33.649 10.495 ( 17.743 -4.800 1.085) 18.413 10.495 ( 17.743 4.800 1.085) 18.413 10.981 ( 5.952 -4.254 3.511) 8.115 10.981 ( 5.952 4.254 3.511) 8.115 11.095 ( 3.893 -4.856 2.450) 6.689 11.095 ( 3.893 4.856 2.450) 6.689 11.436 ( -5.671 -4.174 0.615) 7.068 11.436 ( -5.671 4.174 0.615) 7.068 11.773 ( -4.399 -2.625 -1.403) 5.312 11.773 ( -4.399 2.625 -1.403) 5.312 12.183 ( -6.936 -5.732 2.855) 9.440 12.183 ( -6.936 5.732 2.855) 9.440 12.451 ( -13.083 -6.931 2.955) 15.098 12.451 ( -13.083 6.931 2.955) 15.098 12.585 ( 1.012 -7.932 -1.118) 8.074 12.585 ( 1.012 7.932 -1.118) 8.074 12.910 ( -3.320 -10.590 -1.219) 11.165 12.910 ( -3.320 10.590 -1.219) 11.165 13.540 ( -6.344 -6.124 -1.210) 8.900 13.540 ( -6.344 6.124 -1.210) 8.900 13.744 ( 3.862 -8.666 -5.331) 10.883 13.744 ( 3.862 8.666 -5.331) 10.883 14.107 ( 0.519 -8.990 -2.888) 9.457 14.107 ( 0.519 8.990 -2.888) 9.457 14.180 ( -1.805 -9.502 -0.495) 9.684 14.180 ( -1.805 9.502 -0.495) 9.684 14.613 ( 1.184 -1.371 -5.609) 5.894 14.613 ( 1.184 1.371 -5.609) 5.894 14.946 ( -1.730 -6.606 5.323) 8.659 14.946 ( -1.730 6.606 5.323) 8.659 15.167 ( -0.806 -6.932 5.111) 8.650 15.167 ( -0.806 6.932 5.111) 8.650 15.355 ( 12.367 -6.025 -5.297) 14.741 15.355 ( 12.367 6.025 -5.297) 14.741 15.621 ( -3.636 -0.444 -2.882) 4.661 15.621 ( -3.636 0.444 -2.882) 4.661 15.892 ( -1.429 -2.009 -2.087) 3.230 15.892 ( -1.429 2.009 -2.087) 3.230 16.075 ( 0.710 -5.961 -3.840) 7.126 16.075 ( 0.710 5.961 -3.840) 7.126 16.443 ( -0.263 -7.462 -3.111) 8.089 16.443 ( -0.263 7.462 -3.111) 8.089 16.595 ( 1.932 -5.806 4.388) 7.530 16.595 ( 1.932 5.806 4.388) 7.530 17.060 ( 5.827 -8.343 12.775) 16.333 17.060 ( 5.827 8.343 12.775) 16.333 17.335 ( -10.799 -6.655 1.812) 12.814 17.335 ( -10.799 6.655 1.812) 12.814 17.764 ( 0.664 -5.698 -0.234) 5.741 17.764 ( 0.664 5.698 -0.234) 5.741 18.852 ( 1.979 -0.712 -0.270) 2.120 18.852 ( 1.979 0.712 -0.270) 2.120 19.296 ( -0.764 -2.381 -2.097) 3.263 19.296 ( -0.764 2.381 -2.097) 3.263 19.565 ( 2.766 -2.584 5.799) 6.925 19.565 ( 2.766 2.584 5.799) 6.925 19.698 ( -5.079 -1.434 -3.512) 6.339 19.698 ( -5.079 1.434 -3.512) 6.339 20.966 ( -1.906 -9.636 -8.093) 12.727 20.966 ( -1.906 9.636 -8.093) 12.727 21.373 ( 2.480 -4.624 -2.016) 5.621 21.373 ( 2.480 4.624 -2.016) 5.621 23.885 ( -0.744 -0.663 -0.207) 1.018 23.885 ( -0.744 0.663 -0.207) 1.018 24.638 ( 3.673 -3.027 -5.861) 7.550 24.638 ( 3.673 3.027 -5.861) 7.550 24.926 ( -2.572 -2.888 -6.598) 7.648 24.926 ( -2.572 2.888 -6.598) 7.648 25.373 ( -1.897 -7.345 9.681) 12.300 25.373 ( -1.897 7.345 9.681) 12.300 25.700 ( -0.293 -3.913 5.422) 6.693 25.700 ( -0.293 3.913 5.422) 6.693 26.612 ( 6.410 -2.902 8.576) 11.093 26.612 ( 6.410 2.902 8.576) 11.093 27.392 ( -6.996 -3.175 -5.762) 9.603 27.392 ( -6.996 3.175 -5.762) 9.603 28.333 ( 7.825 -5.668 1.714) 9.813 28.333 ( 7.825 5.668 1.714) 9.813 28.841 ( 1.946 -2.952 2.560) 4.365 28.841 ( 1.946 2.952 2.560) 4.365 29.644 ( -3.421 -1.102 -0.965) 3.721 29.644 ( -3.421 1.102 -0.965) 3.721 29.814 ( -3.229 -4.374 -2.231) 5.876 29.814 ( -3.229 4.374 -2.231) 5.876 30.174 ( 0.713 -4.485 -0.135) 4.544 30.174 ( 0.713 4.485 -0.135) 4.544 31.564 ( -4.239 -2.680 1.001) 5.114 31.564 ( -4.239 2.680 1.001) 5.114 31.709 ( -2.579 -0.870 -0.519) 2.771 31.709 ( -2.579 0.870 -0.519) 2.771 32.321 ( 4.665 -5.856 -1.653) 7.667 32.321 ( 4.665 5.856 -1.653) 7.667 32.539 ( 4.999 -5.152 1.272) 7.290 32.539 ( 4.999 5.152 1.272) 7.290 33.649 ( -0.685 -7.777 0.813) 7.849 33.649 ( -0.685 7.777 0.813) 7.849 33.965 ( -1.693 -3.211 0.094) 3.632 33.965 ( -1.693 3.211 0.094) 3.632 34.272 ( 1.850 -7.942 -3.685) 8.948 34.272 ( 1.850 7.942 -3.685) 8.948 34.371 ( -0.677 -4.272 2.993) 5.260 34.371 ( -0.677 4.272 2.993) 5.260 35.715 ( -1.329 -2.054 0.490) 2.495 35.715 ( -1.329 2.054 0.490) 2.495 35.988 ( -0.203 -7.257 -2.329) 7.624 35.988 ( -0.203 7.257 -2.329) 7.624 91.226 ( 0.032 -5.071 2.254) 5.549 91.226 ( 0.032 5.071 2.254) 5.549 91.291 ( 0.163 -4.320 0.854) 4.407 91.291 ( 0.163 4.320 0.854) 4.407 93.999 ( -0.367 -5.555 1.666) 5.811 93.999 ( -0.367 5.555 1.666) 5.811 94.141 ( 0.847 -6.144 0.328) 6.211 94.141 ( 0.847 6.144 0.328) 6.211 95.052 ( -3.216 -7.533 -5.758) 10.012 95.052 ( -3.216 7.533 -5.758) 10.012 95.501 ( 2.858 -14.680 4.433) 15.599 95.501 ( 2.858 14.680 4.433) 15.599 98.033 ( 0.809 -0.763 1.309) 1.717 98.033 ( 0.809 0.763 1.309) 1.717 99.245 ( 1.063 -1.658 -1.092) 2.252 99.245 ( 1.063 1.658 -1.092) 2.252 102.484 ( -0.134 -0.395 -0.008) 0.417 102.484 ( -0.134 0.395 -0.008) 0.417 102.950 ( 0.127 -1.655 -0.071) 1.662 102.950 ( 0.127 1.655 -0.071) 1.662 107.591 ( -0.232 -0.225 -0.006) 0.323 107.591 ( -0.232 0.225 -0.006) 0.323 107.751 ( -0.378 -0.423 -0.023) 0.568 107.751 ( -0.378 0.423 -0.023) 0.568 ======================= Grid point 241 (126/126) ======================= q-point: (-0.12 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.575 ( 20.193 -22.245 9.241) 31.433 3.575 ( 20.193 22.245 9.241) 31.433 4.223 ( 28.557 -30.257 11.605) 43.193 4.223 ( 28.557 30.257 11.605) 43.193 4.600 ( 25.601 -26.888 -0.166) 37.126 4.600 ( 25.601 26.888 -0.166) 37.126 5.235 ( 9.518 -12.294 -16.060) 22.353 5.235 ( 9.518 12.294 -16.060) 22.353 5.829 ( -34.543 -19.285 -0.187) 39.562 5.829 ( -34.543 19.285 -0.187) 39.562 6.002 ( -27.002 -18.065 1.120) 32.507 6.002 ( -27.002 18.065 1.120) 32.507 6.373 ( -11.711 -7.499 0.187) 13.908 6.373 ( -11.711 7.499 0.187) 13.908 6.649 ( 2.129 -7.598 -3.792) 8.755 6.649 ( 2.129 7.598 -3.792) 8.755 7.102 ( -12.119 -5.943 3.613) 13.973 7.102 ( -12.119 5.943 3.613) 13.973 7.554 ( 4.417 -8.641 -3.728) 10.396 7.554 ( 4.417 8.641 -3.728) 10.396 7.607 ( -2.786 -10.115 -2.436) 10.771 7.607 ( -2.786 10.115 -2.436) 10.771 7.963 ( -5.658 -11.770 -1.369) 13.131 7.963 ( -5.658 11.770 -1.369) 13.131 8.310 ( -4.033 -7.617 -3.661) 9.364 8.310 ( -4.033 7.617 -3.661) 9.364 8.494 ( 0.973 -8.552 1.137) 8.681 8.494 ( 0.973 8.552 1.137) 8.681 8.638 ( -3.127 -3.039 1.039) 4.483 8.638 ( -3.127 3.039 1.039) 4.483 9.024 ( 4.280 -5.782 -2.312) 7.556 9.024 ( 4.280 5.782 -2.312) 7.556 9.216 ( 6.676 -8.980 -0.466) 11.199 9.216 ( 6.676 8.980 -0.466) 11.199 9.469 ( 0.075 -0.997 5.368) 5.460 9.469 ( 0.075 0.997 5.368) 5.460 10.541 ( 26.459 -6.561 -0.661) 27.268 10.541 ( 26.459 6.561 -0.661) 27.268 10.739 ( 11.199 -6.192 5.992) 14.130 10.739 ( 11.199 6.192 5.992) 14.130 11.047 ( 0.479 -2.871 0.323) 2.928 11.047 ( 0.479 2.871 0.323) 2.928 11.216 ( 7.190 -5.678 -0.453) 9.172 11.216 ( 7.190 5.678 -0.453) 9.172 11.425 ( -0.701 -4.570 3.003) 5.513 11.425 ( -0.701 4.570 3.003) 5.513 11.641 ( -9.381 -1.001 0.491) 9.447 11.641 ( -9.381 1.001 0.491) 9.447 12.092 ( -9.853 -7.969 0.531) 12.683 12.092 ( -9.853 7.969 0.531) 12.683 12.271 ( -11.596 -5.813 1.798) 13.096 12.271 ( -11.596 5.813 1.798) 13.096 12.622 ( 2.813 -9.634 -0.160) 10.037 12.622 ( 2.813 9.634 -0.160) 10.037 12.815 ( -3.879 -11.685 -3.839) 12.896 12.815 ( -3.879 11.685 -3.839) 12.896 13.463 ( -0.076 -2.242 -3.828) 4.437 13.463 ( -0.076 2.242 -3.828) 4.437 13.685 ( -2.911 -5.093 -5.009) 7.713 13.685 ( -2.911 5.093 -5.009) 7.713 14.074 ( 0.892 -4.403 1.050) 4.613 14.074 ( 0.892 4.403 1.050) 4.613 14.211 ( 2.161 -8.734 -1.242) 9.082 14.211 ( 2.161 8.734 -1.242) 9.082 14.600 ( 4.331 -3.233 -0.462) 5.425 14.600 ( 4.331 3.233 -0.462) 5.425 15.000 ( -0.138 -8.094 5.133) 9.585 15.000 ( -0.138 8.094 5.133) 9.585 15.172 ( -3.188 -6.768 0.035) 7.481 15.172 ( -3.188 6.768 0.035) 7.481 15.409 ( 3.522 -5.067 -6.168) 8.725 15.409 ( 3.522 5.067 -6.168) 8.725 15.539 ( -2.680 -4.637 -1.215) 5.492 15.539 ( -2.680 4.637 -1.215) 5.492 15.825 ( 0.406 -3.079 -6.426) 7.137 15.825 ( 0.406 3.079 -6.426) 7.137 16.100 ( 1.985 -4.551 3.652) 6.164 16.100 ( 1.985 4.551 3.652) 6.164 16.411 ( 0.885 -7.210 -2.942) 7.837 16.411 ( 0.885 7.210 -2.942) 7.837 16.686 ( 4.550 -6.486 3.617) 8.710 16.686 ( 4.550 6.486 3.617) 8.710 17.113 ( -8.801 -7.921 -1.792) 11.975 17.113 ( -8.801 7.921 -1.792) 11.975 17.382 ( 1.489 -4.336 15.173) 15.851 17.382 ( 1.489 4.336 15.173) 15.851 17.763 ( -0.041 -6.372 -0.294) 6.378 17.763 ( -0.041 6.372 -0.294) 6.378 18.877 ( 1.664 -0.985 -0.194) 1.943 18.877 ( 1.664 0.985 -0.194) 1.943 19.242 ( -1.110 -2.958 -3.218) 4.510 19.242 ( -1.110 2.958 -3.218) 4.510 19.535 ( -6.042 -1.724 -3.792) 7.339 19.535 ( -6.042 1.724 -3.792) 7.339 19.734 ( 4.275 -1.988 6.662) 8.162 19.734 ( 4.275 1.988 6.662) 8.162 20.860 ( 0.570 -8.768 -7.067) 11.276 20.860 ( 0.570 8.768 -7.067) 11.276 21.342 ( 0.119 -4.463 -4.914) 6.639 21.342 ( 0.119 4.463 -4.914) 6.639 23.885 ( -0.038 -1.222 0.994) 1.575 23.885 ( -0.038 1.222 0.994) 1.575 24.518 ( -0.536 -1.143 -11.549) 11.618 24.518 ( -0.536 1.143 -11.549) 11.618 24.898 ( -0.520 -1.615 0.875) 1.909 24.898 ( -0.520 1.615 0.875) 1.909 25.413 ( -1.650 -5.412 1.333) 5.813 25.413 ( -1.650 5.412 1.333) 5.813 25.857 ( 3.765 -6.434 14.454) 16.264 25.857 ( 3.765 6.434 14.454) 16.264 26.765 ( -0.112 -1.272 6.093) 6.225 26.765 ( -0.112 1.272 6.093) 6.225 27.287 ( 0.431 -8.780 -2.557) 9.155 27.287 ( 0.431 8.780 -2.557) 9.155 28.336 ( -0.703 -2.247 -5.976) 6.423 28.336 ( -0.703 2.247 -5.976) 6.423 28.996 ( 5.068 -0.360 9.756) 11.000 28.996 ( 5.068 0.360 9.756) 11.000 29.580 ( -1.568 -2.643 -2.962) 4.268 29.580 ( -1.568 2.643 -2.962) 4.268 29.754 ( -1.522 -5.389 -0.112) 5.601 29.754 ( -1.522 5.389 -0.112) 5.601 30.142 ( -2.080 -2.408 -3.725) 4.898 30.142 ( -2.080 2.408 -3.725) 4.898 31.528 ( -2.907 -3.000 1.742) 4.526 31.528 ( -2.907 3.000 1.742) 4.526 31.670 ( -1.171 -2.071 -1.069) 2.608 31.670 ( -1.171 2.071 -1.069) 2.608 32.356 ( 2.780 -5.222 -1.606) 6.130 32.356 ( 2.780 5.222 -1.606) 6.130 32.616 ( 3.218 -3.915 0.882) 5.144 32.616 ( 3.218 3.915 0.882) 5.144 33.666 ( 0.369 -8.933 2.193) 9.206 33.666 ( 0.369 8.933 2.193) 9.206 33.923 ( -2.376 -5.483 -1.606) 6.187 33.923 ( -2.376 5.483 -1.606) 6.187 34.263 ( 1.705 -6.140 -2.104) 6.711 34.263 ( 1.705 6.140 -2.104) 6.711 34.403 ( -0.001 -2.692 2.722) 3.828 34.403 ( -0.001 2.692 2.722) 3.828 35.710 ( -0.752 -3.846 1.213) 4.103 35.710 ( -0.752 3.846 1.213) 4.103 35.942 ( -0.545 -8.498 -3.759) 9.308 35.942 ( -0.545 8.498 -3.759) 9.308 91.259 ( 0.052 -7.621 2.580) 8.046 91.259 ( 0.052 7.621 2.580) 8.046 91.307 ( 0.178 -6.694 1.192) 6.802 91.307 ( 0.178 6.694 1.192) 6.802 94.031 ( 0.493 -7.457 3.130) 8.102 94.031 ( 0.493 7.457 3.130) 8.102 94.149 ( -0.007 -8.536 -0.194) 8.539 94.149 ( -0.007 8.536 -0.194) 8.539 94.938 ( -1.888 -5.817 -5.939) 8.525 94.938 ( -1.888 5.817 -5.939) 8.525 95.591 ( 1.689 -11.375 4.081) 12.203 95.591 ( 1.689 11.375 4.081) 12.203 98.064 ( 0.591 -0.898 1.652) 1.971 98.064 ( 0.591 0.898 1.652) 1.971 99.242 ( 0.726 -1.355 -1.392) 2.074 99.242 ( 0.726 1.355 -1.392) 2.074 102.482 ( -0.084 -0.377 0.005) 0.387 102.482 ( -0.084 0.377 0.005) 0.387 102.950 ( 0.076 -1.457 -0.108) 1.463 102.950 ( 0.076 1.457 -0.108) 1.463 107.588 ( -0.175 -0.215 -0.008) 0.278 107.588 ( -0.175 0.215 -0.008) 0.278 107.746 ( -0.264 -0.409 -0.030) 0.488 107.746 ( -0.264 0.409 -0.030) 0.488 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/67200 10.0 680.935 352.344 749.653 0.000 114.929 0.000 3/67200 20.0 262.838 238.276 264.024 0.000 35.192 0.000 3/67200 30.0 158.184 169.061 143.211 0.000 14.506 0.000 3/67200 40.0 115.439 127.277 90.391 0.000 6.983 0.000 3/67200 50.0 90.091 99.048 62.407 0.000 3.667 0.000 3/67200 60.0 72.796 79.177 45.925 0.000 2.035 0.000 3/67200 70.0 60.250 64.759 35.418 0.000 1.179 0.000 3/67200 80.0 50.800 54.013 28.298 0.000 0.709 0.000 3/67200 90.0 43.490 45.816 23.242 0.000 0.442 0.000 3/67200 100.0 37.722 39.439 19.520 0.000 0.285 0.000 3/67200 110.0 33.098 34.393 16.698 0.000 0.189 0.000 3/67200 120.0 29.338 30.337 14.508 0.000 0.129 0.000 3/67200 130.0 26.244 27.032 12.772 0.000 0.091 0.000 3/67200 140.0 23.668 24.304 11.372 0.000 0.066 0.000 3/67200 150.0 21.502 22.024 10.226 0.000 0.049 0.000 3/67200 160.0 19.661 20.099 9.273 0.000 0.037 0.000 3/67200 170.0 18.084 18.457 8.473 0.000 0.030 0.000 3/67200 180.0 16.720 17.043 7.792 0.000 0.024 0.000 3/67200 190.0 15.532 15.815 7.207 0.000 0.020 0.000 3/67200 200.0 14.491 14.742 6.700 0.000 0.017 0.000 3/67200 210.0 13.571 13.796 6.257 0.000 0.015 0.000 3/67200 220.0 12.754 12.958 5.868 0.000 0.014 0.000 3/67200 230.0 12.025 12.210 5.522 0.000 0.013 0.000 3/67200 240.0 11.370 11.540 5.214 0.000 0.012 0.000 3/67200 250.0 10.780 10.937 4.938 0.000 0.011 0.000 3/67200 260.0 10.245 10.391 4.689 0.000 0.011 0.000 3/67200 270.0 9.759 9.896 4.464 0.000 0.010 0.000 3/67200 280.0 9.316 9.444 4.259 0.000 0.010 0.000 3/67200 290.0 8.910 9.030 4.072 0.000 0.010 0.000 3/67200 300.0 8.536 8.650 3.901 0.000 0.010 0.000 3/67200 310.0 8.193 8.300 3.743 0.000 0.009 0.000 3/67200 320.0 7.875 7.977 3.597 0.000 0.009 0.000 3/67200 330.0 7.580 7.678 3.463 0.000 0.009 0.000 3/67200 340.0 7.307 7.400 3.338 0.000 0.009 0.000 3/67200 350.0 7.052 7.141 3.222 0.000 0.009 0.000 3/67200 360.0 6.815 6.900 3.114 0.000 0.009 0.000 3/67200 370.0 6.592 6.674 3.013 0.000 0.009 0.000 3/67200 380.0 6.384 6.463 2.918 0.000 0.009 0.000 3/67200 390.0 6.189 6.264 2.829 0.000 0.009 0.000 3/67200 400.0 6.005 6.078 2.745 0.000 0.008 0.000 3/67200 410.0 5.832 5.902 2.667 0.000 0.008 0.000 3/67200 420.0 5.668 5.736 2.592 0.000 0.008 0.000 3/67200 430.0 5.514 5.580 2.522 0.000 0.008 0.000 3/67200 440.0 5.368 5.432 2.456 0.000 0.008 0.000 3/67200 450.0 5.229 5.291 2.393 0.000 0.008 0.000 3/67200 460.0 5.098 5.158 2.333 0.000 0.008 0.000 3/67200 470.0 4.973 5.031 2.276 0.000 0.008 0.000 3/67200 480.0 4.854 4.911 2.222 0.000 0.008 0.000 3/67200 490.0 4.740 4.796 2.171 0.000 0.008 0.000 3/67200 500.0 4.632 4.687 2.122 0.000 0.008 0.000 3/67200 510.0 4.529 4.582 2.075 0.000 0.007 0.000 3/67200 520.0 4.431 4.482 2.030 0.000 0.007 0.000 3/67200 530.0 4.337 4.387 1.987 0.000 0.007 0.000 3/67200 540.0 4.246 4.295 1.946 0.000 0.007 0.000 3/67200 550.0 4.160 4.208 1.907 0.000 0.007 0.000 3/67200 560.0 4.077 4.124 1.869 0.000 0.007 0.000 3/67200 570.0 3.997 4.043 1.833 0.000 0.007 0.000 3/67200 580.0 3.921 3.966 1.798 0.000 0.007 0.000 3/67200 590.0 3.847 3.891 1.765 0.000 0.007 0.000 3/67200 600.0 3.776 3.819 1.733 0.000 0.007 0.000 3/67200 610.0 3.708 3.750 1.702 0.000 0.007 0.000 3/67200 620.0 3.642 3.684 1.672 0.000 0.006 0.000 3/67200 630.0 3.579 3.620 1.643 0.000 0.006 0.000 3/67200 640.0 3.518 3.558 1.615 0.000 0.006 0.000 3/67200 650.0 3.458 3.498 1.588 0.000 0.006 0.000 3/67200 660.0 3.401 3.440 1.562 0.000 0.006 0.000 3/67200 670.0 3.346 3.384 1.537 0.000 0.006 0.000 3/67200 680.0 3.293 3.330 1.513 0.000 0.006 0.000 3/67200 690.0 3.241 3.278 1.489 0.000 0.006 0.000 3/67200 700.0 3.191 3.227 1.466 0.000 0.006 0.000 3/67200 710.0 3.143 3.178 1.444 0.000 0.006 0.000 3/67200 720.0 3.096 3.131 1.423 0.000 0.006 0.000 3/67200 730.0 3.050 3.085 1.402 0.000 0.006 0.000 3/67200 740.0 3.006 3.040 1.382 0.000 0.005 0.000 3/67200 750.0 2.963 2.997 1.362 0.000 0.005 0.000 3/67200 760.0 2.921 2.954 1.343 0.000 0.005 0.000 3/67200 770.0 2.881 2.913 1.325 0.000 0.005 0.000 3/67200 780.0 2.841 2.874 1.307 0.000 0.005 0.000 3/67200 790.0 2.803 2.835 1.290 0.000 0.005 0.000 3/67200 800.0 2.766 2.797 1.273 0.000 0.005 0.000 3/67200 810.0 2.730 2.761 1.256 0.000 0.005 0.000 3/67200 820.0 2.694 2.725 1.240 0.000 0.005 0.000 3/67200 830.0 2.660 2.690 1.224 0.000 0.005 0.000 3/67200 840.0 2.626 2.656 1.209 0.000 0.005 0.000 3/67200 850.0 2.594 2.623 1.194 0.000 0.005 0.000 3/67200 860.0 2.562 2.591 1.180 0.000 0.005 0.000 3/67200 870.0 2.531 2.560 1.166 0.000 0.004 0.000 3/67200 880.0 2.501 2.529 1.152 0.000 0.004 0.000 3/67200 890.0 2.471 2.499 1.138 0.000 0.004 0.000 3/67200 900.0 2.442 2.470 1.125 0.000 0.004 0.000 3/67200 910.0 2.414 2.442 1.112 0.000 0.004 0.000 3/67200 920.0 2.387 2.414 1.100 0.000 0.004 0.000 3/67200 930.0 2.360 2.387 1.088 0.000 0.004 0.000 3/67200 940.0 2.333 2.360 1.076 0.000 0.004 0.000 3/67200 950.0 2.308 2.334 1.064 0.000 0.004 0.000 3/67200 960.0 2.283 2.309 1.052 0.000 0.004 0.000 3/67200 970.0 2.258 2.284 1.041 0.000 0.004 0.000 3/67200 980.0 2.234 2.260 1.030 0.000 0.004 0.000 3/67200 990.0 2.211 2.236 1.020 0.000 0.004 0.000 3/67200 1000.0 2.188 2.213 1.009 0.000 0.004 0.000 3/67200 Thermal conductivity related properties were written into "kappa-m8105.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:01:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|