----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:03:04]------------------------- 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: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.323799772569327 0.000000000000000 0.000000000000000 b 0.000000000000000 8.365101109999998 0.000000000000000 c -4.561263667985917 0.000000000000000 7.787611324257111 Atomic positions (fractional): *1 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 *2 Mg 0.50383594415497 0.64314712581391 0.60410622327175 24.305 3 Mg 0.49616405584503 0.14314712581391 0.89589377672825 24.305 4 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 5 Mg 0.50383594415497 0.85685287418609 0.10410622327175 24.305 6 Mg 0.49616405584503 0.35685287418609 0.39589377672825 24.305 *7 As 0.15148918787275 0.69579525900345 0.19552020537959 74.922 8 As 0.84851081212725 0.19579525900345 0.30447979462041 74.922 9 As 0.15148918787275 0.80420474099655 0.69552020537959 74.922 10 As 0.84851081212725 0.30420474099655 0.80447979462041 74.922 *11 O 0.67203443779657 0.12469772183577 0.74023053425748 15.999 *12 O 0.29834313455191 0.56479887655195 0.36056208770645 15.999 *13 O 0.76395287726297 0.35205093769216 0.95687466170439 15.999 *14 O 0.21024875078736 0.19831157513786 0.38479625899765 15.999 15 O 0.23604712273703 0.85205093769216 0.54312533829561 15.999 16 O 0.32796556220343 0.62469772183577 0.75976946574252 15.999 17 O 0.78975124921264 0.69831157513786 0.11520374100235 15.999 18 O 0.70165686544809 0.06479887655195 0.13943791229355 15.999 19 O 0.29834313455191 0.93520112344805 0.86056208770645 15.999 20 O 0.21024875078736 0.30168842486214 0.88479625899765 15.999 21 O 0.67203443779657 0.37530227816423 0.24023053425748 15.999 22 O 0.76395287726297 0.14794906230784 0.45687466170439 15.999 23 O 0.78975124921264 0.80168842486214 0.61520374100235 15.999 24 O 0.23604712273703 0.64794906230784 0.04312533829561 15.999 25 O 0.70165686544809 0.43520112344805 0.63943791229355 15.999 26 O 0.32796556220343 0.87530227816423 0.25976946574252 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.323799772569327 0.000000000000000 0.000000000000000 b 0.000000000000000 8.365101109999998 0.000000000000000 c -4.561263667985917 0.000000000000000 7.787611324257111 Atomic positions (fractional): *1 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 1 *2 Mg 0.50383594415497 0.64314712581391 0.60410622327175 24.305 > 2 3 Mg 0.49616405584503 0.14314712581391 0.89589377672825 24.305 > 3 4 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 4 5 Mg 0.50383594415497 0.85685287418609 0.10410622327175 24.305 > 5 6 Mg 0.49616405584503 0.35685287418609 0.39589377672825 24.305 > 6 *7 As 0.15148918787275 0.69579525900345 0.19552020537959 74.922 > 7 8 As 0.84851081212725 0.19579525900345 0.30447979462041 74.922 > 8 9 As 0.15148918787275 0.80420474099655 0.69552020537959 74.922 > 9 10 As 0.84851081212725 0.30420474099655 0.80447979462041 74.922 > 10 *11 O 0.67203443779657 0.12469772183577 0.74023053425748 15.999 > 11 *12 O 0.29834313455191 0.56479887655195 0.36056208770645 15.999 > 12 *13 O 0.76395287726297 0.35205093769216 0.95687466170439 15.999 > 13 *14 O 0.21024875078736 0.19831157513786 0.38479625899765 15.999 > 14 15 O 0.23604712273703 0.85205093769216 0.54312533829561 15.999 > 15 16 O 0.32796556220343 0.62469772183577 0.75976946574252 15.999 > 16 17 O 0.78975124921264 0.69831157513786 0.11520374100235 15.999 > 17 18 O 0.70165686544809 0.06479887655195 0.13943791229355 15.999 > 18 19 O 0.29834313455191 0.93520112344805 0.86056208770645 15.999 > 19 20 O 0.21024875078736 0.30168842486214 0.88479625899765 15.999 > 20 21 O 0.67203443779657 0.37530227816423 0.24023053425748 15.999 > 21 22 O 0.76395287726297 0.14794906230784 0.45687466170439 15.999 > 22 23 O 0.78975124921264 0.80168842486214 0.61520374100235 15.999 > 23 24 O 0.23604712273703 0.64794906230784 0.04312533829561 15.999 > 24 25 O 0.70165686544809 0.43520112344805 0.63943791229355 15.999 > 25 26 O 0.32796556220343 0.87530227816423 0.25976946574252 15.999 > 26 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.647599545138654 0.000000000000000 0.000000000000000 b 0.000000000000000 16.730202219999995 0.000000000000000 c -4.561263667985917 0.000000000000000 7.787611324257111 Atomic positions (fractional): *1 Mg 0.25000000000000 0.00000000000000 0.50000000000000 24.305 > 1 2 Mg 0.75000000000000 0.00000000000000 0.50000000000000 24.305 > 1 3 Mg 0.25000000000000 0.50000000000000 0.50000000000000 24.305 > 1 4 Mg 0.75000000000000 0.50000000000000 0.50000000000000 24.305 > 1 *5 Mg 0.25191797207749 0.32157356290695 0.60410622327175 24.305 > 2 6 Mg 0.75191797207749 0.32157356290695 0.60410622327175 24.305 > 2 7 Mg 0.25191797207749 0.82157356290695 0.60410622327175 24.305 > 2 8 Mg 0.75191797207749 0.82157356290695 0.60410622327175 24.305 > 2 9 Mg 0.24808202792251 0.07157356290696 0.89589377672825 24.305 > 3 10 Mg 0.74808202792251 0.07157356290696 0.89589377672825 24.305 > 3 11 Mg 0.24808202792251 0.57157356290696 0.89589377672825 24.305 > 3 12 Mg 0.74808202792251 0.57157356290696 0.89589377672825 24.305 > 3 13 Mg 0.25000000000000 0.25000000000000 0.00000000000000 24.305 > 4 14 Mg 0.75000000000000 0.25000000000000 0.00000000000000 24.305 > 4 15 Mg 0.25000000000000 0.75000000000000 0.00000000000000 24.305 > 4 16 Mg 0.75000000000000 0.75000000000000 0.00000000000000 24.305 > 4 17 Mg 0.25191797207749 0.42842643709305 0.10410622327175 24.305 > 5 18 Mg 0.75191797207749 0.42842643709305 0.10410622327175 24.305 > 5 19 Mg 0.25191797207749 0.92842643709305 0.10410622327175 24.305 > 5 20 Mg 0.75191797207749 0.92842643709305 0.10410622327175 24.305 > 5 21 Mg 0.24808202792251 0.17842643709305 0.39589377672825 24.305 > 6 22 Mg 0.74808202792251 0.17842643709305 0.39589377672825 24.305 > 6 23 Mg 0.24808202792251 0.67842643709305 0.39589377672825 24.305 > 6 24 Mg 0.74808202792251 0.67842643709305 0.39589377672825 24.305 > 6 *25 As 0.07574459393638 0.34789762950172 0.19552020537959 74.922 > 7 26 As 0.57574459393638 0.34789762950172 0.19552020537959 74.922 > 7 27 As 0.07574459393638 0.84789762950172 0.19552020537959 74.922 > 7 28 As 0.57574459393638 0.84789762950172 0.19552020537959 74.922 > 7 29 As 0.42425540606362 0.09789762950172 0.30447979462041 74.922 > 8 30 As 0.92425540606362 0.09789762950172 0.30447979462041 74.922 > 8 31 As 0.42425540606362 0.59789762950172 0.30447979462041 74.922 > 8 32 As 0.92425540606362 0.59789762950172 0.30447979462041 74.922 > 8 33 As 0.07574459393638 0.40210237049828 0.69552020537959 74.922 > 9 34 As 0.57574459393638 0.40210237049828 0.69552020537959 74.922 > 9 35 As 0.07574459393638 0.90210237049828 0.69552020537959 74.922 > 9 36 As 0.57574459393638 0.90210237049828 0.69552020537959 74.922 > 9 37 As 0.42425540606362 0.15210237049828 0.80447979462041 74.922 > 10 38 As 0.92425540606362 0.15210237049828 0.80447979462041 74.922 > 10 39 As 0.42425540606362 0.65210237049828 0.80447979462041 74.922 > 10 40 As 0.92425540606362 0.65210237049828 0.80447979462041 74.922 > 10 *41 O 0.33601721889829 0.06234886091788 0.74023053425748 15.999 > 11 42 O 0.83601721889829 0.06234886091788 0.74023053425748 15.999 > 11 43 O 0.33601721889829 0.56234886091788 0.74023053425748 15.999 > 11 44 O 0.83601721889829 0.56234886091788 0.74023053425748 15.999 > 11 *45 O 0.14917156727595 0.28239943827598 0.36056208770645 15.999 > 12 46 O 0.64917156727595 0.28239943827598 0.36056208770645 15.999 > 12 47 O 0.14917156727595 0.78239943827598 0.36056208770645 15.999 > 12 48 O 0.64917156727595 0.78239943827598 0.36056208770645 15.999 > 12 *49 O 0.38197643863148 0.17602546884608 0.95687466170439 15.999 > 13 50 O 0.88197643863148 0.17602546884608 0.95687466170439 15.999 > 13 51 O 0.38197643863148 0.67602546884608 0.95687466170439 15.999 > 13 52 O 0.88197643863148 0.67602546884608 0.95687466170439 15.999 > 13 *53 O 0.10512437539368 0.09915578756893 0.38479625899765 15.999 > 14 54 O 0.60512437539368 0.09915578756893 0.38479625899765 15.999 > 14 55 O 0.10512437539368 0.59915578756893 0.38479625899765 15.999 > 14 56 O 0.60512437539368 0.59915578756893 0.38479625899765 15.999 > 14 57 O 0.11802356136852 0.42602546884608 0.54312533829561 15.999 > 15 58 O 0.61802356136852 0.42602546884608 0.54312533829561 15.999 > 15 59 O 0.11802356136852 0.92602546884608 0.54312533829561 15.999 > 15 60 O 0.61802356136852 0.92602546884608 0.54312533829561 15.999 > 15 61 O 0.16398278110171 0.31234886091788 0.75976946574252 15.999 > 16 62 O 0.66398278110171 0.31234886091788 0.75976946574252 15.999 > 16 63 O 0.16398278110171 0.81234886091788 0.75976946574252 15.999 > 16 64 O 0.66398278110171 0.81234886091788 0.75976946574252 15.999 > 16 65 O 0.39487562460632 0.34915578756893 0.11520374100235 15.999 > 17 66 O 0.89487562460632 0.34915578756893 0.11520374100235 15.999 > 17 67 O 0.39487562460632 0.84915578756893 0.11520374100235 15.999 > 17 68 O 0.89487562460632 0.84915578756893 0.11520374100235 15.999 > 17 69 O 0.35082843272405 0.03239943827598 0.13943791229355 15.999 > 18 70 O 0.85082843272405 0.03239943827598 0.13943791229355 15.999 > 18 71 O 0.35082843272405 0.53239943827598 0.13943791229355 15.999 > 18 72 O 0.85082843272405 0.53239943827598 0.13943791229355 15.999 > 18 73 O 0.14917156727595 0.46760056172402 0.86056208770645 15.999 > 19 74 O 0.64917156727595 0.46760056172402 0.86056208770645 15.999 > 19 75 O 0.14917156727595 0.96760056172402 0.86056208770645 15.999 > 19 76 O 0.64917156727595 0.96760056172402 0.86056208770645 15.999 > 19 77 O 0.10512437539368 0.15084421243107 0.88479625899765 15.999 > 20 78 O 0.60512437539368 0.15084421243107 0.88479625899765 15.999 > 20 79 O 0.10512437539368 0.65084421243107 0.88479625899765 15.999 > 20 80 O 0.60512437539368 0.65084421243107 0.88479625899765 15.999 > 20 81 O 0.33601721889829 0.18765113908212 0.24023053425748 15.999 > 21 82 O 0.83601721889829 0.18765113908212 0.24023053425748 15.999 > 21 83 O 0.33601721889829 0.68765113908212 0.24023053425748 15.999 > 21 84 O 0.83601721889829 0.68765113908212 0.24023053425748 15.999 > 21 85 O 0.38197643863148 0.07397453115392 0.45687466170439 15.999 > 22 86 O 0.88197643863148 0.07397453115392 0.45687466170439 15.999 > 22 87 O 0.38197643863148 0.57397453115392 0.45687466170439 15.999 > 22 88 O 0.88197643863148 0.57397453115392 0.45687466170439 15.999 > 22 89 O 0.39487562460632 0.40084421243107 0.61520374100235 15.999 > 23 90 O 0.89487562460632 0.40084421243107 0.61520374100235 15.999 > 23 91 O 0.39487562460632 0.90084421243107 0.61520374100235 15.999 > 23 92 O 0.89487562460632 0.90084421243107 0.61520374100235 15.999 > 23 93 O 0.11802356136852 0.32397453115392 0.04312533829561 15.999 > 24 94 O 0.61802356136852 0.32397453115392 0.04312533829561 15.999 > 24 95 O 0.11802356136852 0.82397453115392 0.04312533829561 15.999 > 24 96 O 0.61802356136852 0.82397453115392 0.04312533829561 15.999 > 24 97 O 0.35082843272405 0.21760056172403 0.63943791229355 15.999 > 25 98 O 0.85082843272405 0.21760056172403 0.63943791229355 15.999 > 25 99 O 0.35082843272405 0.71760056172402 0.63943791229355 15.999 > 25 100 O 0.85082843272405 0.71760056172402 0.63943791229355 15.999 > 25 101 O 0.16398278110171 0.43765113908212 0.25976946574252 15.999 > 26 102 O 0.66398278110171 0.43765113908212 0.25976946574252 15.999 > 26 103 O 0.16398278110171 0.93765113908212 0.25976946574252 15.999 > 26 104 O 0.66398278110171 0.93765113908212 0.25976946574252 15.999 > 26 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8573169 0.0000000 -0.0043106 0.0000000 2.7058010 0.0000000 -0.0043115 0.0000000 2.7571049 -------------------------- Born effective charges -------------------------- 1 Mg 2.2799604 -0.1082711 0.2688133 0.0374161 2.3737155 0.3729634 -0.1836008 -0.3674505 2.1680210 2 Mg 2.0973126 0.0287483 -0.1252598 -0.3165613 2.0281980 -0.0210414 0.0105223 0.0869365 1.9200925 3 Mg 2.0973126 -0.0287483 -0.1252598 0.3165613 2.0281980 0.0210414 0.0105223 -0.0869365 1.9200925 4 Mg 2.2799604 0.1082711 0.2688133 -0.0374161 2.3737155 -0.3729634 -0.1836008 0.3674505 2.1680210 5 Mg 2.0973126 -0.0287483 -0.1252598 0.3165613 2.0281980 0.0210414 0.0105223 -0.0869365 1.9200925 6 Mg 2.0973126 0.0287483 -0.1252598 -0.3165613 2.0281980 -0.0210414 0.0105223 0.0869365 1.9200925 7 As 3.4066573 -0.0137737 -0.1100104 0.0241987 3.0405375 -0.0183021 -0.0265412 0.1225197 3.2359284 8 As 3.4066573 0.0137737 -0.1100104 -0.0241987 3.0405375 0.0183021 -0.0265412 -0.1225197 3.2359284 9 As 3.4066573 0.0137737 -0.1100104 -0.0241987 3.0405375 0.0183021 -0.0265412 -0.1225197 3.2359284 10 As 3.4066573 -0.0137737 -0.1100104 0.0241987 3.0405375 -0.0183021 -0.0265412 0.1225197 3.2359284 11 O -1.4067658 -0.2064436 0.0857946 -0.3574019 -1.7381318 -0.3835214 0.0875822 -0.3628316 -1.4768308 12 O -1.1095317 0.0916245 0.0352510 0.2073434 -1.8133020 0.4594478 -0.0614611 0.3900664 -2.0012670 13 O -1.8731520 0.1250493 0.4351554 0.1506190 -1.3626426 -0.1711936 0.5351041 -0.2414113 -1.5221498 14 O -2.2545007 -0.0914655 -0.4553375 -0.0882962 -1.3415168 0.0242357 -0.4534059 0.1253483 -1.2397838 15 O -1.8731520 -0.1250493 0.4351554 -0.1506190 -1.3626426 0.1711936 0.5351041 0.2414113 -1.5221498 16 O -1.4067658 0.2064436 0.0857946 0.3574019 -1.7381318 0.3835214 0.0875822 0.3628316 -1.4768308 17 O -2.2545007 0.0914655 -0.4553375 0.0882962 -1.3415168 -0.0242357 -0.4534059 -0.1253483 -1.2397838 18 O -1.1095317 -0.0916245 0.0352510 -0.2073434 -1.8133020 -0.4594478 -0.0614611 -0.3900664 -2.0012670 19 O -1.1095317 -0.0916245 0.0352510 -0.2073434 -1.8133020 -0.4594478 -0.0614611 -0.3900664 -2.0012670 20 O -2.2545007 0.0914655 -0.4553375 0.0882962 -1.3415168 -0.0242357 -0.4534059 -0.1253483 -1.2397838 21 O -1.4067658 0.2064436 0.0857946 0.3574019 -1.7381318 0.3835214 0.0875822 0.3628316 -1.4768308 22 O -1.8731520 -0.1250493 0.4351554 -0.1506190 -1.3626426 0.1711936 0.5351041 0.2414113 -1.5221498 23 O -2.2545007 -0.0914655 -0.4553375 -0.0882962 -1.3415168 0.0242357 -0.4534059 0.1253483 -1.2397838 24 O -1.8731520 0.1250493 0.4351554 0.1506190 -1.3626426 -0.1711936 0.5351041 -0.2414113 -1.5221498 25 O -1.1095317 0.0916245 0.0352510 0.2073434 -1.8133020 0.4594478 -0.0614611 0.3900664 -2.0012670 26 O -1.4067658 -0.2064436 0.0857946 -0.3574019 -1.7381318 -0.3835214 0.0875822 -0.3628316 -1.4768308 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 12480/12480 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3168 Number of blocks in projector: 3168 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: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (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: 678 / 678 (1) 168 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (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: 678 / 678 (1) 168 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 678 / 678 (1) 171 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 378 Use standard eigh solver. Tree of FC basis block matrices: - (3168, 3106), data: False |-- (378, 371), data: True |-- (378, 371), data: True |-- (378, 371), data: True |-- (678, 665), data: False |-- (678, 7), data: (678, 20) @ (20, 7) |-- (178, 171), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (678, 664), data: False |-- (678, 10), data: (678, 24) @ (24, 10) |-- (178, 168), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (678, 664), data: False |-- (678, 10), data: (678, 24) @ (24, 10) |-- (178, 168), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 800 - Time: 1.009 Solver_block: 200 / 800 - Time: 0.808 Solver_block: 300 / 800 - Time: 0.812 Solver_block: 400 / 800 - Time: 0.800 Solver_block: 500 / 800 - Time: 0.814 Solver_block: 600 / 800 - Time: 0.807 Solver_block: 700 / 800 - Time: 0.816 Solver_block: 800 / 800 - Time: 0.812 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.808 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xz) 0.00000000 (xz) Permutation basis: 312/312 Permutation basis: 12480/12480 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3168 Number of blocks in projector: 3168 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: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (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: 678 / 678 (1) 168 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (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: 678 / 678 (1) 168 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 678 / 678 (1) 171 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 378 Use standard eigh solver. Tree of FC basis block matrices: - (3168, 3106), data: False |-- (378, 371), data: True |-- (378, 371), data: True |-- (378, 371), data: True |-- (678, 665), data: False |-- (678, 7), data: (678, 20) @ (20, 7) |-- (178, 171), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (678, 664), data: False |-- (678, 10), data: (678, 24) @ (24, 10) |-- (178, 168), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (678, 664), data: False |-- (678, 10), data: (678, 24) @ (24, 10) |-- (178, 168), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), 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 2026-01-09 00:03:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:03:42]------------------------- 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): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.323799772569327 0.000000000000000 0.000000000000000 b 0.000000000000000 8.365101109999998 0.000000000000000 c -4.561263667985917 0.000000000000000 7.787611324257111 Atomic positions (fractional): 1 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 2 Mg 0.50383594415497 0.64314712581391 0.60410622327175 24.305 3 Mg 0.49616405584503 0.14314712581391 0.89589377672825 24.305 4 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 5 Mg 0.50383594415497 0.85685287418609 0.10410622327175 24.305 6 Mg 0.49616405584503 0.35685287418609 0.39589377672825 24.305 7 As 0.15148918787275 0.69579525900345 0.19552020537959 74.922 8 As 0.84851081212725 0.19579525900345 0.30447979462041 74.922 9 As 0.15148918787275 0.80420474099655 0.69552020537959 74.922 10 As 0.84851081212725 0.30420474099655 0.80447979462041 74.922 11 O 0.67203443779657 0.12469772183577 0.74023053425748 15.999 12 O 0.29834313455191 0.56479887655195 0.36056208770645 15.999 13 O 0.76395287726297 0.35205093769216 0.95687466170439 15.999 14 O 0.21024875078736 0.19831157513786 0.38479625899765 15.999 15 O 0.23604712273703 0.85205093769216 0.54312533829561 15.999 16 O 0.32796556220343 0.62469772183577 0.75976946574252 15.999 17 O 0.78975124921264 0.69831157513786 0.11520374100235 15.999 18 O 0.70165686544809 0.06479887655195 0.13943791229355 15.999 19 O 0.29834313455191 0.93520112344805 0.86056208770645 15.999 20 O 0.21024875078736 0.30168842486214 0.88479625899765 15.999 21 O 0.67203443779657 0.37530227816423 0.24023053425748 15.999 22 O 0.76395287726297 0.14794906230784 0.45687466170439 15.999 23 O 0.78975124921264 0.80168842486214 0.61520374100235 15.999 24 O 0.23604712273703 0.64794906230784 0.04312533829561 15.999 25 O 0.70165686544809 0.43520112344805 0.63943791229355 15.999 26 O 0.32796556220343 0.87530227816423 0.25976946574252 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.647599545138654 0.000000000000000 0.000000000000000 b 0.000000000000000 16.730202219999995 0.000000000000000 c -4.561263667985917 0.000000000000000 7.787611324257111 Atomic positions (fractional): 1 Mg 0.25000000000000 0.00000000000000 0.50000000000000 24.305 > 1 2 Mg 0.75000000000000 0.00000000000000 0.50000000000000 24.305 > 1 3 Mg 0.25000000000000 0.50000000000000 0.50000000000000 24.305 > 1 4 Mg 0.75000000000000 0.50000000000000 0.50000000000000 24.305 > 1 5 Mg 0.25191797207749 0.32157356290695 0.60410622327175 24.305 > 5 6 Mg 0.75191797207749 0.32157356290695 0.60410622327175 24.305 > 5 7 Mg 0.25191797207749 0.82157356290695 0.60410622327175 24.305 > 5 8 Mg 0.75191797207749 0.82157356290695 0.60410622327175 24.305 > 5 9 Mg 0.24808202792251 0.07157356290696 0.89589377672825 24.305 > 9 10 Mg 0.74808202792251 0.07157356290696 0.89589377672825 24.305 > 9 11 Mg 0.24808202792251 0.57157356290696 0.89589377672825 24.305 > 9 12 Mg 0.74808202792251 0.57157356290696 0.89589377672825 24.305 > 9 13 Mg 0.25000000000000 0.25000000000000 0.00000000000000 24.305 > 13 14 Mg 0.75000000000000 0.25000000000000 0.00000000000000 24.305 > 13 15 Mg 0.25000000000000 0.75000000000000 0.00000000000000 24.305 > 13 16 Mg 0.75000000000000 0.75000000000000 0.00000000000000 24.305 > 13 17 Mg 0.25191797207749 0.42842643709305 0.10410622327175 24.305 > 17 18 Mg 0.75191797207749 0.42842643709305 0.10410622327175 24.305 > 17 19 Mg 0.25191797207749 0.92842643709305 0.10410622327175 24.305 > 17 20 Mg 0.75191797207749 0.92842643709305 0.10410622327175 24.305 > 17 21 Mg 0.24808202792251 0.17842643709305 0.39589377672825 24.305 > 21 22 Mg 0.74808202792251 0.17842643709305 0.39589377672825 24.305 > 21 23 Mg 0.24808202792251 0.67842643709305 0.39589377672825 24.305 > 21 24 Mg 0.74808202792251 0.67842643709305 0.39589377672825 24.305 > 21 25 As 0.07574459393638 0.34789762950172 0.19552020537959 74.922 > 25 26 As 0.57574459393638 0.34789762950172 0.19552020537959 74.922 > 25 27 As 0.07574459393638 0.84789762950172 0.19552020537959 74.922 > 25 28 As 0.57574459393638 0.84789762950172 0.19552020537959 74.922 > 25 29 As 0.42425540606362 0.09789762950172 0.30447979462041 74.922 > 29 30 As 0.92425540606362 0.09789762950172 0.30447979462041 74.922 > 29 31 As 0.42425540606362 0.59789762950172 0.30447979462041 74.922 > 29 32 As 0.92425540606362 0.59789762950172 0.30447979462041 74.922 > 29 33 As 0.07574459393638 0.40210237049828 0.69552020537959 74.922 > 33 34 As 0.57574459393638 0.40210237049828 0.69552020537959 74.922 > 33 35 As 0.07574459393638 0.90210237049828 0.69552020537959 74.922 > 33 36 As 0.57574459393638 0.90210237049828 0.69552020537959 74.922 > 33 37 As 0.42425540606362 0.15210237049828 0.80447979462041 74.922 > 37 38 As 0.92425540606362 0.15210237049828 0.80447979462041 74.922 > 37 39 As 0.42425540606362 0.65210237049828 0.80447979462041 74.922 > 37 40 As 0.92425540606362 0.65210237049828 0.80447979462041 74.922 > 37 41 O 0.33601721889829 0.06234886091788 0.74023053425748 15.999 > 41 42 O 0.83601721889829 0.06234886091788 0.74023053425748 15.999 > 41 43 O 0.33601721889829 0.56234886091788 0.74023053425748 15.999 > 41 44 O 0.83601721889829 0.56234886091788 0.74023053425748 15.999 > 41 45 O 0.14917156727595 0.28239943827598 0.36056208770645 15.999 > 45 46 O 0.64917156727595 0.28239943827598 0.36056208770645 15.999 > 45 47 O 0.14917156727595 0.78239943827598 0.36056208770645 15.999 > 45 48 O 0.64917156727595 0.78239943827598 0.36056208770645 15.999 > 45 49 O 0.38197643863148 0.17602546884608 0.95687466170439 15.999 > 49 50 O 0.88197643863148 0.17602546884608 0.95687466170439 15.999 > 49 51 O 0.38197643863148 0.67602546884608 0.95687466170439 15.999 > 49 52 O 0.88197643863148 0.67602546884608 0.95687466170439 15.999 > 49 53 O 0.10512437539368 0.09915578756893 0.38479625899765 15.999 > 53 54 O 0.60512437539368 0.09915578756893 0.38479625899765 15.999 > 53 55 O 0.10512437539368 0.59915578756893 0.38479625899765 15.999 > 53 56 O 0.60512437539368 0.59915578756893 0.38479625899765 15.999 > 53 57 O 0.11802356136852 0.42602546884608 0.54312533829561 15.999 > 57 58 O 0.61802356136852 0.42602546884608 0.54312533829561 15.999 > 57 59 O 0.11802356136852 0.92602546884608 0.54312533829561 15.999 > 57 60 O 0.61802356136852 0.92602546884608 0.54312533829561 15.999 > 57 61 O 0.16398278110171 0.31234886091788 0.75976946574252 15.999 > 61 62 O 0.66398278110171 0.31234886091788 0.75976946574252 15.999 > 61 63 O 0.16398278110171 0.81234886091788 0.75976946574252 15.999 > 61 64 O 0.66398278110171 0.81234886091788 0.75976946574252 15.999 > 61 65 O 0.39487562460632 0.34915578756893 0.11520374100235 15.999 > 65 66 O 0.89487562460632 0.34915578756893 0.11520374100235 15.999 > 65 67 O 0.39487562460632 0.84915578756893 0.11520374100235 15.999 > 65 68 O 0.89487562460632 0.84915578756893 0.11520374100235 15.999 > 65 69 O 0.35082843272405 0.03239943827598 0.13943791229355 15.999 > 69 70 O 0.85082843272405 0.03239943827598 0.13943791229355 15.999 > 69 71 O 0.35082843272405 0.53239943827598 0.13943791229355 15.999 > 69 72 O 0.85082843272405 0.53239943827598 0.13943791229355 15.999 > 69 73 O 0.14917156727595 0.46760056172402 0.86056208770645 15.999 > 73 74 O 0.64917156727595 0.46760056172402 0.86056208770645 15.999 > 73 75 O 0.14917156727595 0.96760056172402 0.86056208770645 15.999 > 73 76 O 0.64917156727595 0.96760056172402 0.86056208770645 15.999 > 73 77 O 0.10512437539368 0.15084421243107 0.88479625899765 15.999 > 77 78 O 0.60512437539368 0.15084421243107 0.88479625899765 15.999 > 77 79 O 0.10512437539368 0.65084421243107 0.88479625899765 15.999 > 77 80 O 0.60512437539368 0.65084421243107 0.88479625899765 15.999 > 77 81 O 0.33601721889829 0.18765113908212 0.24023053425748 15.999 > 81 82 O 0.83601721889829 0.18765113908212 0.24023053425748 15.999 > 81 83 O 0.33601721889829 0.68765113908212 0.24023053425748 15.999 > 81 84 O 0.83601721889829 0.68765113908212 0.24023053425748 15.999 > 81 85 O 0.38197643863148 0.07397453115392 0.45687466170439 15.999 > 85 86 O 0.88197643863148 0.07397453115392 0.45687466170439 15.999 > 85 87 O 0.38197643863148 0.57397453115392 0.45687466170439 15.999 > 85 88 O 0.88197643863148 0.57397453115392 0.45687466170439 15.999 > 85 89 O 0.39487562460632 0.40084421243107 0.61520374100235 15.999 > 89 90 O 0.89487562460632 0.40084421243107 0.61520374100235 15.999 > 89 91 O 0.39487562460632 0.90084421243107 0.61520374100235 15.999 > 89 92 O 0.89487562460632 0.90084421243107 0.61520374100235 15.999 > 89 93 O 0.11802356136852 0.32397453115392 0.04312533829561 15.999 > 93 94 O 0.61802356136852 0.32397453115392 0.04312533829561 15.999 > 93 95 O 0.11802356136852 0.82397453115392 0.04312533829561 15.999 > 93 96 O 0.61802356136852 0.82397453115392 0.04312533829561 15.999 > 93 97 O 0.35082843272405 0.21760056172403 0.63943791229355 15.999 > 97 98 O 0.85082843272405 0.21760056172403 0.63943791229355 15.999 > 97 99 O 0.35082843272405 0.71760056172402 0.63943791229355 15.999 > 97 100 O 0.85082843272405 0.71760056172402 0.63943791229355 15.999 > 97 101 O 0.16398278110171 0.43765113908212 0.25976946574252 15.999 > 101 102 O 0.66398278110171 0.43765113908212 0.25976946574252 15.999 > 101 103 O 0.16398278110171 0.93765113908212 0.25976946574252 15.999 > 101 104 O 0.66398278110171 0.93765113908212 0.25976946574252 15.999 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8573169 0.0000000 -0.0043106 0.0000000 2.7058010 0.0000000 -0.0043115 0.0000000 2.7571049 -------------------------- Born effective charges -------------------------- 1 Mg 2.2799604 -0.1082711 0.2688133 0.0374161 2.3737155 0.3729634 -0.1836008 -0.3674505 2.1680210 2 Mg 2.0973126 0.0287483 -0.1252598 -0.3165613 2.0281980 -0.0210414 0.0105223 0.0869365 1.9200925 3 Mg 2.0973126 -0.0287483 -0.1252598 0.3165613 2.0281980 0.0210414 0.0105223 -0.0869365 1.9200925 4 Mg 2.2799604 0.1082711 0.2688133 -0.0374161 2.3737155 -0.3729634 -0.1836008 0.3674505 2.1680210 5 Mg 2.0973126 -0.0287483 -0.1252598 0.3165613 2.0281980 0.0210414 0.0105223 -0.0869365 1.9200925 6 Mg 2.0973126 0.0287483 -0.1252598 -0.3165613 2.0281980 -0.0210414 0.0105223 0.0869365 1.9200925 7 As 3.4066573 -0.0137737 -0.1100104 0.0241987 3.0405375 -0.0183021 -0.0265412 0.1225197 3.2359284 8 As 3.4066573 0.0137737 -0.1100104 -0.0241987 3.0405375 0.0183021 -0.0265412 -0.1225197 3.2359284 9 As 3.4066573 0.0137737 -0.1100104 -0.0241987 3.0405375 0.0183021 -0.0265412 -0.1225197 3.2359284 10 As 3.4066573 -0.0137737 -0.1100104 0.0241987 3.0405375 -0.0183021 -0.0265412 0.1225197 3.2359284 11 O -1.4067658 -0.2064436 0.0857946 -0.3574019 -1.7381318 -0.3835214 0.0875822 -0.3628316 -1.4768308 12 O -1.1095317 0.0916245 0.0352510 0.2073434 -1.8133020 0.4594478 -0.0614611 0.3900664 -2.0012670 13 O -1.8731520 0.1250493 0.4351554 0.1506190 -1.3626426 -0.1711936 0.5351041 -0.2414113 -1.5221498 14 O -2.2545007 -0.0914655 -0.4553375 -0.0882962 -1.3415168 0.0242357 -0.4534059 0.1253483 -1.2397838 15 O -1.8731520 -0.1250493 0.4351554 -0.1506190 -1.3626426 0.1711936 0.5351041 0.2414113 -1.5221498 16 O -1.4067658 0.2064436 0.0857946 0.3574019 -1.7381318 0.3835214 0.0875822 0.3628316 -1.4768308 17 O -2.2545007 0.0914655 -0.4553375 0.0882962 -1.3415168 -0.0242357 -0.4534059 -0.1253483 -1.2397838 18 O -1.1095317 -0.0916245 0.0352510 -0.2073434 -1.8133020 -0.4594478 -0.0614611 -0.3900664 -2.0012670 19 O -1.1095317 -0.0916245 0.0352510 -0.2073434 -1.8133020 -0.4594478 -0.0614611 -0.3900664 -2.0012670 20 O -2.2545007 0.0914655 -0.4553375 0.0882962 -1.3415168 -0.0242357 -0.4534059 -0.1253483 -1.2397838 21 O -1.4067658 0.2064436 0.0857946 0.3574019 -1.7381318 0.3835214 0.0875822 0.3628316 -1.4768308 22 O -1.8731520 -0.1250493 0.4351554 -0.1506190 -1.3626426 0.1711936 0.5351041 0.2414113 -1.5221498 23 O -2.2545007 -0.0914655 -0.4553375 -0.0882962 -1.3415168 0.0242357 -0.4534059 0.1253483 -1.2397838 24 O -1.8731520 0.1250493 0.4351554 0.1506190 -1.3626426 -0.1711936 0.5351041 -0.2414113 -1.5221498 25 O -1.1095317 0.0916245 0.0352510 0.2073434 -1.8133020 0.4594478 -0.0614611 0.3900664 -2.0012670 26 O -1.4067658 -0.2064436 0.0857946 -0.3574019 -1.7381318 -0.3835214 0.0875822 -0.3628316 -1.4768308 ---------------------------------------------------------------------------- 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 5, 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 25, 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 41, 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 45, 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 53, 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zx) 0.00000001 (zx) 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 2026-01-09 00:04:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:04:11]------------------------- 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): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.323799772569327 0.000000000000000 0.000000000000000 b 0.000000000000000 8.365101109999998 0.000000000000000 c -4.561263667985917 0.000000000000000 7.787611324257111 Atomic positions (fractional): 1 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 2 Mg 0.50383594415497 0.64314712581391 0.60410622327175 24.305 3 Mg 0.49616405584503 0.14314712581391 0.89589377672825 24.305 4 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 5 Mg 0.50383594415497 0.85685287418609 0.10410622327175 24.305 6 Mg 0.49616405584503 0.35685287418609 0.39589377672825 24.305 7 As 0.15148918787275 0.69579525900345 0.19552020537959 74.922 8 As 0.84851081212725 0.19579525900345 0.30447979462041 74.922 9 As 0.15148918787275 0.80420474099655 0.69552020537959 74.922 10 As 0.84851081212725 0.30420474099655 0.80447979462041 74.922 11 O 0.67203443779657 0.12469772183577 0.74023053425748 15.999 12 O 0.29834313455191 0.56479887655195 0.36056208770645 15.999 13 O 0.76395287726297 0.35205093769216 0.95687466170439 15.999 14 O 0.21024875078736 0.19831157513786 0.38479625899765 15.999 15 O 0.23604712273703 0.85205093769216 0.54312533829561 15.999 16 O 0.32796556220343 0.62469772183577 0.75976946574252 15.999 17 O 0.78975124921264 0.69831157513786 0.11520374100235 15.999 18 O 0.70165686544809 0.06479887655195 0.13943791229355 15.999 19 O 0.29834313455191 0.93520112344805 0.86056208770645 15.999 20 O 0.21024875078736 0.30168842486214 0.88479625899765 15.999 21 O 0.67203443779657 0.37530227816423 0.24023053425748 15.999 22 O 0.76395287726297 0.14794906230784 0.45687466170439 15.999 23 O 0.78975124921264 0.80168842486214 0.61520374100235 15.999 24 O 0.23604712273703 0.64794906230784 0.04312533829561 15.999 25 O 0.70165686544809 0.43520112344805 0.63943791229355 15.999 26 O 0.32796556220343 0.87530227816423 0.25976946574252 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.647599545138654 0.000000000000000 0.000000000000000 b 0.000000000000000 16.730202219999995 0.000000000000000 c -4.561263667985917 0.000000000000000 7.787611324257111 Atomic positions (fractional): 1 Mg 0.25000000000000 0.00000000000000 0.50000000000000 24.305 > 1 2 Mg 0.75000000000000 0.00000000000000 0.50000000000000 24.305 > 1 3 Mg 0.25000000000000 0.50000000000000 0.50000000000000 24.305 > 1 4 Mg 0.75000000000000 0.50000000000000 0.50000000000000 24.305 > 1 5 Mg 0.25191797207749 0.32157356290695 0.60410622327175 24.305 > 5 6 Mg 0.75191797207749 0.32157356290695 0.60410622327175 24.305 > 5 7 Mg 0.25191797207749 0.82157356290695 0.60410622327175 24.305 > 5 8 Mg 0.75191797207749 0.82157356290695 0.60410622327175 24.305 > 5 9 Mg 0.24808202792251 0.07157356290696 0.89589377672825 24.305 > 9 10 Mg 0.74808202792251 0.07157356290696 0.89589377672825 24.305 > 9 11 Mg 0.24808202792251 0.57157356290696 0.89589377672825 24.305 > 9 12 Mg 0.74808202792251 0.57157356290696 0.89589377672825 24.305 > 9 13 Mg 0.25000000000000 0.25000000000000 0.00000000000000 24.305 > 13 14 Mg 0.75000000000000 0.25000000000000 0.00000000000000 24.305 > 13 15 Mg 0.25000000000000 0.75000000000000 0.00000000000000 24.305 > 13 16 Mg 0.75000000000000 0.75000000000000 0.00000000000000 24.305 > 13 17 Mg 0.25191797207749 0.42842643709305 0.10410622327175 24.305 > 17 18 Mg 0.75191797207749 0.42842643709305 0.10410622327175 24.305 > 17 19 Mg 0.25191797207749 0.92842643709305 0.10410622327175 24.305 > 17 20 Mg 0.75191797207749 0.92842643709305 0.10410622327175 24.305 > 17 21 Mg 0.24808202792251 0.17842643709305 0.39589377672825 24.305 > 21 22 Mg 0.74808202792251 0.17842643709305 0.39589377672825 24.305 > 21 23 Mg 0.24808202792251 0.67842643709305 0.39589377672825 24.305 > 21 24 Mg 0.74808202792251 0.67842643709305 0.39589377672825 24.305 > 21 25 As 0.07574459393638 0.34789762950172 0.19552020537959 74.922 > 25 26 As 0.57574459393638 0.34789762950172 0.19552020537959 74.922 > 25 27 As 0.07574459393638 0.84789762950172 0.19552020537959 74.922 > 25 28 As 0.57574459393638 0.84789762950172 0.19552020537959 74.922 > 25 29 As 0.42425540606362 0.09789762950172 0.30447979462041 74.922 > 29 30 As 0.92425540606362 0.09789762950172 0.30447979462041 74.922 > 29 31 As 0.42425540606362 0.59789762950172 0.30447979462041 74.922 > 29 32 As 0.92425540606362 0.59789762950172 0.30447979462041 74.922 > 29 33 As 0.07574459393638 0.40210237049828 0.69552020537959 74.922 > 33 34 As 0.57574459393638 0.40210237049828 0.69552020537959 74.922 > 33 35 As 0.07574459393638 0.90210237049828 0.69552020537959 74.922 > 33 36 As 0.57574459393638 0.90210237049828 0.69552020537959 74.922 > 33 37 As 0.42425540606362 0.15210237049828 0.80447979462041 74.922 > 37 38 As 0.92425540606362 0.15210237049828 0.80447979462041 74.922 > 37 39 As 0.42425540606362 0.65210237049828 0.80447979462041 74.922 > 37 40 As 0.92425540606362 0.65210237049828 0.80447979462041 74.922 > 37 41 O 0.33601721889829 0.06234886091788 0.74023053425748 15.999 > 41 42 O 0.83601721889829 0.06234886091788 0.74023053425748 15.999 > 41 43 O 0.33601721889829 0.56234886091788 0.74023053425748 15.999 > 41 44 O 0.83601721889829 0.56234886091788 0.74023053425748 15.999 > 41 45 O 0.14917156727595 0.28239943827598 0.36056208770645 15.999 > 45 46 O 0.64917156727595 0.28239943827598 0.36056208770645 15.999 > 45 47 O 0.14917156727595 0.78239943827598 0.36056208770645 15.999 > 45 48 O 0.64917156727595 0.78239943827598 0.36056208770645 15.999 > 45 49 O 0.38197643863148 0.17602546884608 0.95687466170439 15.999 > 49 50 O 0.88197643863148 0.17602546884608 0.95687466170439 15.999 > 49 51 O 0.38197643863148 0.67602546884608 0.95687466170439 15.999 > 49 52 O 0.88197643863148 0.67602546884608 0.95687466170439 15.999 > 49 53 O 0.10512437539368 0.09915578756893 0.38479625899765 15.999 > 53 54 O 0.60512437539368 0.09915578756893 0.38479625899765 15.999 > 53 55 O 0.10512437539368 0.59915578756893 0.38479625899765 15.999 > 53 56 O 0.60512437539368 0.59915578756893 0.38479625899765 15.999 > 53 57 O 0.11802356136852 0.42602546884608 0.54312533829561 15.999 > 57 58 O 0.61802356136852 0.42602546884608 0.54312533829561 15.999 > 57 59 O 0.11802356136852 0.92602546884608 0.54312533829561 15.999 > 57 60 O 0.61802356136852 0.92602546884608 0.54312533829561 15.999 > 57 61 O 0.16398278110171 0.31234886091788 0.75976946574252 15.999 > 61 62 O 0.66398278110171 0.31234886091788 0.75976946574252 15.999 > 61 63 O 0.16398278110171 0.81234886091788 0.75976946574252 15.999 > 61 64 O 0.66398278110171 0.81234886091788 0.75976946574252 15.999 > 61 65 O 0.39487562460632 0.34915578756893 0.11520374100235 15.999 > 65 66 O 0.89487562460632 0.34915578756893 0.11520374100235 15.999 > 65 67 O 0.39487562460632 0.84915578756893 0.11520374100235 15.999 > 65 68 O 0.89487562460632 0.84915578756893 0.11520374100235 15.999 > 65 69 O 0.35082843272405 0.03239943827598 0.13943791229355 15.999 > 69 70 O 0.85082843272405 0.03239943827598 0.13943791229355 15.999 > 69 71 O 0.35082843272405 0.53239943827598 0.13943791229355 15.999 > 69 72 O 0.85082843272405 0.53239943827598 0.13943791229355 15.999 > 69 73 O 0.14917156727595 0.46760056172402 0.86056208770645 15.999 > 73 74 O 0.64917156727595 0.46760056172402 0.86056208770645 15.999 > 73 75 O 0.14917156727595 0.96760056172402 0.86056208770645 15.999 > 73 76 O 0.64917156727595 0.96760056172402 0.86056208770645 15.999 > 73 77 O 0.10512437539368 0.15084421243107 0.88479625899765 15.999 > 77 78 O 0.60512437539368 0.15084421243107 0.88479625899765 15.999 > 77 79 O 0.10512437539368 0.65084421243107 0.88479625899765 15.999 > 77 80 O 0.60512437539368 0.65084421243107 0.88479625899765 15.999 > 77 81 O 0.33601721889829 0.18765113908212 0.24023053425748 15.999 > 81 82 O 0.83601721889829 0.18765113908212 0.24023053425748 15.999 > 81 83 O 0.33601721889829 0.68765113908212 0.24023053425748 15.999 > 81 84 O 0.83601721889829 0.68765113908212 0.24023053425748 15.999 > 81 85 O 0.38197643863148 0.07397453115392 0.45687466170439 15.999 > 85 86 O 0.88197643863148 0.07397453115392 0.45687466170439 15.999 > 85 87 O 0.38197643863148 0.57397453115392 0.45687466170439 15.999 > 85 88 O 0.88197643863148 0.57397453115392 0.45687466170439 15.999 > 85 89 O 0.39487562460632 0.40084421243107 0.61520374100235 15.999 > 89 90 O 0.89487562460632 0.40084421243107 0.61520374100235 15.999 > 89 91 O 0.39487562460632 0.90084421243107 0.61520374100235 15.999 > 89 92 O 0.89487562460632 0.90084421243107 0.61520374100235 15.999 > 89 93 O 0.11802356136852 0.32397453115392 0.04312533829561 15.999 > 93 94 O 0.61802356136852 0.32397453115392 0.04312533829561 15.999 > 93 95 O 0.11802356136852 0.82397453115392 0.04312533829561 15.999 > 93 96 O 0.61802356136852 0.82397453115392 0.04312533829561 15.999 > 93 97 O 0.35082843272405 0.21760056172403 0.63943791229355 15.999 > 97 98 O 0.85082843272405 0.21760056172403 0.63943791229355 15.999 > 97 99 O 0.35082843272405 0.71760056172402 0.63943791229355 15.999 > 97 100 O 0.85082843272405 0.71760056172402 0.63943791229355 15.999 > 97 101 O 0.16398278110171 0.43765113908212 0.25976946574252 15.999 > 101 102 O 0.66398278110171 0.43765113908212 0.25976946574252 15.999 > 101 103 O 0.16398278110171 0.93765113908212 0.25976946574252 15.999 > 101 104 O 0.66398278110171 0.93765113908212 0.25976946574252 15.999 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8573169 0.0000000 -0.0043106 0.0000000 2.7058010 0.0000000 -0.0043115 0.0000000 2.7571049 -------------------------- Born effective charges -------------------------- 1 Mg 2.2799604 -0.1082711 0.2688133 0.0374161 2.3737155 0.3729634 -0.1836008 -0.3674505 2.1680210 2 Mg 2.0973126 0.0287483 -0.1252598 -0.3165613 2.0281980 -0.0210414 0.0105223 0.0869365 1.9200925 3 Mg 2.0973126 -0.0287483 -0.1252598 0.3165613 2.0281980 0.0210414 0.0105223 -0.0869365 1.9200925 4 Mg 2.2799604 0.1082711 0.2688133 -0.0374161 2.3737155 -0.3729634 -0.1836008 0.3674505 2.1680210 5 Mg 2.0973126 -0.0287483 -0.1252598 0.3165613 2.0281980 0.0210414 0.0105223 -0.0869365 1.9200925 6 Mg 2.0973126 0.0287483 -0.1252598 -0.3165613 2.0281980 -0.0210414 0.0105223 0.0869365 1.9200925 7 As 3.4066573 -0.0137737 -0.1100104 0.0241987 3.0405375 -0.0183021 -0.0265412 0.1225197 3.2359284 8 As 3.4066573 0.0137737 -0.1100104 -0.0241987 3.0405375 0.0183021 -0.0265412 -0.1225197 3.2359284 9 As 3.4066573 0.0137737 -0.1100104 -0.0241987 3.0405375 0.0183021 -0.0265412 -0.1225197 3.2359284 10 As 3.4066573 -0.0137737 -0.1100104 0.0241987 3.0405375 -0.0183021 -0.0265412 0.1225197 3.2359284 11 O -1.4067658 -0.2064436 0.0857946 -0.3574019 -1.7381318 -0.3835214 0.0875822 -0.3628316 -1.4768308 12 O -1.1095317 0.0916245 0.0352510 0.2073434 -1.8133020 0.4594478 -0.0614611 0.3900664 -2.0012670 13 O -1.8731520 0.1250493 0.4351554 0.1506190 -1.3626426 -0.1711936 0.5351041 -0.2414113 -1.5221498 14 O -2.2545007 -0.0914655 -0.4553375 -0.0882962 -1.3415168 0.0242357 -0.4534059 0.1253483 -1.2397838 15 O -1.8731520 -0.1250493 0.4351554 -0.1506190 -1.3626426 0.1711936 0.5351041 0.2414113 -1.5221498 16 O -1.4067658 0.2064436 0.0857946 0.3574019 -1.7381318 0.3835214 0.0875822 0.3628316 -1.4768308 17 O -2.2545007 0.0914655 -0.4553375 0.0882962 -1.3415168 -0.0242357 -0.4534059 -0.1253483 -1.2397838 18 O -1.1095317 -0.0916245 0.0352510 -0.2073434 -1.8133020 -0.4594478 -0.0614611 -0.3900664 -2.0012670 19 O -1.1095317 -0.0916245 0.0352510 -0.2073434 -1.8133020 -0.4594478 -0.0614611 -0.3900664 -2.0012670 20 O -2.2545007 0.0914655 -0.4553375 0.0882962 -1.3415168 -0.0242357 -0.4534059 -0.1253483 -1.2397838 21 O -1.4067658 0.2064436 0.0857946 0.3574019 -1.7381318 0.3835214 0.0875822 0.3628316 -1.4768308 22 O -1.8731520 -0.1250493 0.4351554 -0.1506190 -1.3626426 0.1711936 0.5351041 0.2414113 -1.5221498 23 O -2.2545007 -0.0914655 -0.4553375 -0.0882962 -1.3415168 0.0242357 -0.4534059 0.1253483 -1.2397838 24 O -1.8731520 0.1250493 0.4351554 0.1506190 -1.3626426 -0.1711936 0.5351041 -0.2414113 -1.5221498 25 O -1.1095317 0.0916245 0.0352510 0.2073434 -1.8133020 0.4594478 -0.0614611 0.3900664 -2.0012670 26 O -1.4067658 -0.2064436 0.0857946 -0.3574019 -1.7381318 -0.3835214 0.0875822 -0.3628316 -1.4768308 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) 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 ... [ 11 6 6 ] 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: 0.59, Number of G-points: 297, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/136) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 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 2.675 ( 0.000 0.000 0.000) 0.000 3.013 ( 0.000 0.000 0.000) 0.000 3.214 ( 0.000 0.000 0.000) 0.000 3.429 ( 0.000 0.000 0.000) 0.000 3.821 ( 0.000 0.000 0.000) 0.000 3.880 ( 0.000 0.000 0.000) 0.000 3.979 ( 0.000 0.000 0.000) 0.000 4.113 ( 0.000 0.000 0.000) 0.000 4.449 ( 0.000 0.000 0.000) 0.000 4.603 ( 0.000 0.000 0.000) 0.000 4.929 ( 0.000 0.000 0.000) 0.000 4.967 ( 0.000 0.000 0.000) 0.000 5.291 ( 0.000 0.000 0.000) 0.000 5.953 ( 0.000 0.000 0.000) 0.000 6.185 ( 0.000 0.000 0.000) 0.000 6.457 ( 0.000 0.000 0.000) 0.000 6.624 ( 0.000 0.000 0.000) 0.000 6.670 ( 0.000 0.000 0.000) 0.000 6.933 ( 0.000 0.000 0.000) 0.000 7.425 ( 0.000 0.000 0.000) 0.000 7.493 ( 0.000 0.000 0.000) 0.000 7.548 ( 0.000 0.000 0.000) 0.000 7.625 ( 0.000 0.000 0.000) 0.000 7.787 ( 0.000 0.000 0.000) 0.000 8.238 ( 0.000 0.000 0.000) 0.000 8.511 ( 0.000 0.000 0.000) 0.000 8.665 ( 0.000 0.000 0.000) 0.000 8.754 ( 0.000 0.000 0.000) 0.000 8.795 ( 0.000 0.000 0.000) 0.000 9.167 ( 0.000 0.000 0.000) 0.000 9.482 ( 0.000 0.000 0.000) 0.000 9.539 ( 0.000 0.000 0.000) 0.000 9.784 ( 0.000 0.000 0.000) 0.000 9.880 ( 0.000 0.000 0.000) 0.000 10.032 ( 0.000 0.000 0.000) 0.000 10.261 ( 0.000 0.000 0.000) 0.000 10.264 ( 0.000 0.000 0.000) 0.000 10.579 ( 0.000 0.000 0.000) 0.000 10.794 ( 0.000 0.000 0.000) 0.000 11.157 ( 0.000 0.000 0.000) 0.000 11.742 ( 0.000 0.000 0.000) 0.000 11.826 ( 0.000 0.000 0.000) 0.000 11.983 ( 0.000 0.000 0.000) 0.000 12.044 ( 0.000 0.000 0.000) 0.000 12.905 ( 0.000 0.000 0.000) 0.000 12.911 ( 0.000 0.000 0.000) 0.000 13.280 ( 0.000 0.000 0.000) 0.000 13.707 ( 0.000 0.000 0.000) 0.000 13.724 ( 0.000 0.000 0.000) 0.000 14.015 ( 0.000 0.000 0.000) 0.000 14.233 ( 0.000 0.000 0.000) 0.000 14.269 ( 0.000 0.000 0.000) 0.000 14.428 ( 0.000 0.000 0.000) 0.000 14.780 ( 0.000 0.000 0.000) 0.000 14.979 ( 0.000 0.000 0.000) 0.000 15.241 ( 0.000 0.000 0.000) 0.000 15.512 ( 0.000 0.000 0.000) 0.000 16.232 ( 0.000 0.000 0.000) 0.000 16.486 ( 0.000 0.000 0.000) 0.000 22.164 ( 0.000 0.000 0.000) 0.000 22.489 ( 0.000 0.000 0.000) 0.000 22.645 ( 0.000 0.000 0.000) 0.000 23.894 ( 0.000 0.000 0.000) 0.000 23.961 ( 0.000 0.000 0.000) 0.000 24.048 ( 0.000 0.000 0.000) 0.000 24.076 ( 0.000 0.000 0.000) 0.000 24.080 ( 0.000 0.000 0.000) 0.000 24.335 ( 0.000 0.000 0.000) 0.000 24.588 ( 0.000 0.000 0.000) 0.000 24.997 ( 0.000 0.000 0.000) 0.000 25.273 ( 0.000 0.000 0.000) 0.000 25.450 ( 0.000 0.000 0.000) 0.000 25.691 ( 0.000 0.000 0.000) 0.000 25.782 ( 0.000 0.000 0.000) 0.000 26.544 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/136) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( 15.504 0.000 21.149) 26.223 0.598 ( 26.222 0.000 15.200) 30.309 1.343 ( 65.280 0.000 20.566) 68.443 2.866 ( 24.810 0.000 -9.915) 26.718 3.280 ( 25.628 0.000 5.749) 26.265 3.304 ( 10.814 0.000 -4.704) 11.792 3.416 ( 2.427 0.000 -3.463) 4.229 3.824 ( -0.757 0.000 -6.991) 7.032 3.887 ( 8.915 0.000 -5.162) 10.302 3.934 ( -4.606 0.000 -0.931) 4.699 4.151 ( 4.054 0.000 -1.143) 4.212 4.541 ( 4.732 0.000 5.592) 7.326 4.609 ( 3.777 0.000 -5.220) 6.443 4.954 ( 0.474 0.000 7.252) 7.267 5.056 ( 7.041 0.000 4.732) 8.484 5.233 ( -5.671 0.000 -3.267) 6.544 5.796 ( -6.679 0.000 -9.473) 11.591 6.120 ( -6.184 0.000 -6.155) 8.726 6.411 ( -2.661 0.000 -3.082) 4.072 6.452 ( -19.961 0.000 1.998) 20.061 6.673 ( 4.133 0.000 -6.319) 7.551 7.014 ( 0.250 0.000 8.672) 8.676 7.206 ( -8.979 0.000 -4.687) 10.129 7.562 ( -0.823 0.000 3.478) 3.574 7.783 ( 11.793 0.000 6.543) 13.487 7.798 ( 12.358 0.000 12.786) 17.782 7.872 ( -9.816 0.000 -5.487) 11.246 8.142 ( -7.955 0.000 -2.168) 8.245 8.393 ( -11.924 0.000 -0.014) 11.924 8.696 ( -11.817 0.000 9.471) 15.144 8.748 ( -1.066 0.000 3.625) 3.779 8.898 ( 1.937 0.000 3.253) 3.786 9.210 ( 4.787 0.000 -3.396) 5.869 9.444 ( -13.206 0.000 10.049) 16.595 9.605 ( 9.903 0.000 2.550) 10.226 9.650 ( -5.934 0.000 -6.198) 8.581 10.042 ( 13.772 0.000 1.036) 13.811 10.175 ( 6.926 0.000 6.764) 9.681 10.218 ( 6.527 0.000 -11.437) 13.168 10.716 ( 7.040 0.000 6.413) 9.523 10.750 ( -0.881 0.000 -8.137) 8.185 11.017 ( -9.423 0.000 -0.706) 9.449 11.582 ( -8.472 0.000 -2.556) 8.850 11.691 ( 2.689 0.000 16.656) 16.872 11.935 ( 7.007 0.000 -2.019) 7.292 11.981 ( -0.830 0.000 -0.715) 1.096 12.712 ( -14.315 0.000 4.369) 14.967 13.045 ( 7.945 0.000 -5.791) 9.831 13.093 ( -26.867 0.000 26.498) 37.736 13.401 ( -8.625 0.000 26.410) 27.782 13.625 ( -6.520 0.000 -4.374) 7.851 13.692 ( -2.452 0.000 -1.180) 2.722 14.061 ( -6.581 0.000 7.023) 9.625 14.246 ( 1.821 0.000 -0.736) 1.964 14.329 ( 6.591 0.000 -2.432) 7.026 14.733 ( -2.078 0.000 -5.021) 5.434 14.888 ( 35.422 0.000 -55.903) 66.181 14.985 ( 20.241 0.000 -31.337) 37.305 15.213 ( -4.094 0.000 1.266) 4.286 15.565 ( 1.783 0.000 6.165) 6.418 16.221 ( -12.098 0.000 15.666) 19.794 16.520 ( 1.387 0.000 4.129) 4.355 22.164 ( 0.499 0.000 -0.848) 0.984 22.504 ( 1.257 0.000 0.642) 1.412 22.660 ( -2.140 0.000 5.628) 6.022 23.802 ( -7.172 0.000 -6.232) 9.501 23.992 ( 1.466 0.000 2.908) 3.256 24.017 ( 0.576 0.000 0.842) 1.020 24.108 ( -1.092 0.000 2.672) 2.887 24.164 ( 8.155 0.000 -16.085) 18.034 24.451 ( 9.420 0.000 4.222) 10.322 24.935 ( -2.154 0.000 -4.471) 4.963 25.280 ( 3.176 0.000 9.339) 9.864 25.433 ( -1.227 0.000 -1.283) 1.776 25.693 ( 2.237 0.000 -3.378) 4.051 25.796 ( 1.031 0.000 0.906) 1.372 26.522 ( -2.280 0.000 -0.365) 2.309 27.039 ( 4.072 0.000 -9.144) 10.010 ======================= Grid point 2 (3/136) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 11.880 0.000 17.457) 21.116 1.198 ( 26.577 0.000 14.248) 30.155 2.603 ( 56.478 0.000 19.997) 59.914 3.072 ( 8.157 0.000 -19.668) 21.292 3.360 ( 7.441 0.000 -10.042) 12.499 3.530 ( 8.248 0.000 0.749) 8.282 3.714 ( 1.775 0.000 -5.099) 5.399 3.897 ( 10.221 0.000 4.235) 11.064 3.979 ( 38.124 0.000 -1.542) 38.156 4.051 ( 12.489 0.000 -1.792) 12.617 4.210 ( 10.833 0.000 -8.002) 13.468 4.618 ( 5.093 0.000 -8.911) 10.264 4.667 ( 2.740 0.000 6.262) 6.835 5.032 ( -10.389 0.000 -6.788) 12.410 5.115 ( 6.911 0.000 9.007) 11.353 5.309 ( 13.294 0.000 10.911) 17.198 5.650 ( -1.497 0.000 -7.440) 7.589 5.854 ( -13.182 0.000 -11.105) 17.236 6.111 ( -17.011 0.000 0.726) 17.026 6.346 ( -2.191 0.000 0.250) 2.205 6.652 ( 2.326 0.000 -12.236) 12.455 6.995 ( -13.452 0.000 0.470) 13.460 7.102 ( -4.797 0.000 13.774) 14.586 7.543 ( -10.348 0.000 1.329) 10.433 7.618 ( -4.160 0.000 -7.711) 8.761 7.977 ( -8.629 0.000 -1.456) 8.750 8.000 ( -4.494 0.000 6.905) 8.239 8.050 ( 8.427 0.000 8.214) 11.768 8.325 ( 6.520 0.000 4.542) 7.946 8.575 ( -10.018 0.000 2.220) 10.261 8.765 ( -6.087 0.000 8.215) 10.224 8.889 ( -0.551 0.000 -8.048) 8.066 9.222 ( 1.281 0.000 -2.994) 3.256 9.326 ( -7.333 0.000 9.074) 11.667 9.559 ( 2.187 0.000 -5.917) 6.308 9.862 ( 7.341 0.000 13.157) 15.066 10.199 ( 11.088 0.000 -6.102) 12.656 10.322 ( 3.676 0.000 3.548) 5.109 10.381 ( 21.151 0.000 -10.376) 23.558 10.605 ( -3.012 0.000 -12.415) 12.775 10.804 ( -5.277 0.000 6.282) 8.205 10.915 ( -7.435 0.000 8.577) 11.351 11.537 ( 6.120 0.000 0.321) 6.128 11.852 ( 4.182 0.000 1.911) 4.598 11.990 ( 2.863 0.000 -4.575) 5.397 12.006 ( 0.698 0.000 7.957) 7.988 12.527 ( -12.688 0.000 6.199) 14.121 12.880 ( -18.851 0.000 9.271) 21.008 13.043 ( 0.211 0.000 -8.190) 8.192 13.427 ( -8.800 0.000 -5.417) 10.333 13.508 ( -4.600 0.000 15.812) 16.467 13.643 ( -1.689 0.000 -0.864) 1.897 14.038 ( -1.019 0.000 1.317) 1.666 14.265 ( 2.067 0.000 -3.369) 3.952 14.421 ( 6.358 0.000 -1.296) 6.488 14.628 ( -2.449 0.000 -7.462) 7.853 14.893 ( 1.055 0.000 -4.051) 4.186 15.069 ( 28.580 0.000 -37.597) 47.227 15.127 ( -7.384 0.000 1.461) 7.527 15.665 ( 0.905 0.000 8.214) 8.263 16.150 ( -11.082 0.000 9.846) 14.825 16.605 ( 1.123 0.000 7.725) 7.806 22.164 ( 0.875 0.000 -1.362) 1.619 22.539 ( 1.751 0.000 0.837) 1.941 22.690 ( -1.023 0.000 5.481) 5.575 23.573 ( -10.764 0.000 -7.055) 12.870 24.029 ( -1.227 0.000 1.040) 1.609 24.052 ( -1.289 0.000 3.070) 3.330 24.122 ( 3.388 0.000 0.048) 3.388 24.162 ( 6.973 0.000 -7.403) 10.170 24.702 ( 11.741 0.000 8.625) 14.568 24.868 ( -0.413 0.000 -4.685) 4.703 25.383 ( -2.070 0.000 -2.950) 3.604 25.443 ( 5.820 0.000 7.399) 9.414 25.704 ( 4.662 0.000 -6.114) 7.689 25.830 ( 1.476 0.000 1.189) 1.895 26.466 ( -3.457 0.000 -0.655) 3.519 27.008 ( 0.497 0.000 -4.815) 4.841 ======================= Grid point 3 (4/136) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 7.454 0.000 12.318) 14.398 1.780 ( 25.499 0.000 12.075) 28.214 2.797 ( -9.725 0.000 -22.859) 24.842 3.327 ( 11.284 0.000 -7.434) 13.512 3.559 ( -8.305 0.000 -3.788) 9.128 3.623 ( 2.891 0.000 7.491) 8.030 3.691 ( 35.529 0.000 5.540) 35.958 4.083 ( -1.904 0.000 -2.854) 3.431 4.263 ( 19.514 0.000 2.348) 19.655 4.471 ( 4.992 0.000 -9.394) 10.639 4.586 ( 33.518 0.000 1.312) 33.544 4.752 ( 9.385 0.000 -4.875) 10.575 4.809 ( 7.017 0.000 8.823) 11.273 4.817 ( 14.122 0.000 -7.255) 15.877 5.290 ( 5.714 0.000 2.827) 6.375 5.458 ( -3.373 0.000 -10.461) 10.992 5.655 ( -2.262 0.000 -3.916) 4.522 5.664 ( 13.695 0.000 8.546) 16.143 5.948 ( -4.042 0.000 0.490) 4.072 6.364 ( 0.134 0.000 6.559) 6.560 6.435 ( -10.384 0.000 -13.058) 16.683 6.850 ( -3.253 0.000 0.839) 3.359 7.034 ( -16.834 0.000 7.078) 18.261 7.353 ( -0.292 0.000 -6.756) 6.763 7.570 ( -3.901 0.000 2.258) 4.507 7.840 ( -6.366 0.000 1.340) 6.505 7.965 ( -2.537 0.000 3.345) 4.198 8.161 ( -4.275 0.000 4.484) 6.195 8.374 ( -10.963 0.000 -6.554) 12.773 8.496 ( 4.405 0.000 4.316) 6.167 8.685 ( -10.543 0.000 6.277) 12.270 8.777 ( -2.780 0.000 -6.494) 7.064 9.194 ( -1.103 0.000 -3.999) 4.149 9.455 ( 6.895 0.000 15.380) 16.855 9.578 ( 6.416 0.000 -5.426) 8.403 10.021 ( -0.195 0.000 7.125) 7.128 10.371 ( 0.416 0.000 -4.414) 4.433 10.398 ( 10.701 0.000 3.628) 11.299 10.426 ( -5.456 0.000 -4.120) 6.837 10.611 ( 18.732 0.000 -12.400) 22.464 10.800 ( 1.326 0.000 8.271) 8.377 10.919 ( -3.748 0.000 11.420) 12.019 11.685 ( 4.766 0.000 0.907) 4.852 11.876 ( -0.446 0.000 -4.173) 4.197 11.934 ( 0.086 0.000 -9.143) 9.143 12.155 ( 6.646 0.000 8.839) 11.058 12.444 ( -7.488 0.000 12.352) 14.444 12.646 ( -15.342 0.000 3.155) 15.663 12.927 ( -1.453 0.000 -9.377) 9.489 13.225 ( -11.111 0.000 0.244) 11.114 13.577 ( -0.842 0.000 6.748) 6.801 13.614 ( -1.105 0.000 -0.805) 1.368 14.050 ( 2.102 0.000 -0.934) 2.300 14.226 ( -0.912 0.000 -6.614) 6.677 14.502 ( -3.066 0.000 -9.580) 10.058 14.519 ( 5.854 0.000 -0.122) 5.855 14.868 ( -0.107 0.000 -2.077) 2.080 15.008 ( -8.039 0.000 2.602) 8.450 15.169 ( 17.627 0.000 -22.323) 28.443 15.753 ( 0.519 0.000 7.007) 7.026 16.049 ( -10.102 0.000 6.661) 12.100 16.693 ( -1.027 0.000 8.866) 8.926 22.167 ( 1.067 0.000 -1.351) 1.722 22.576 ( 1.593 0.000 0.688) 1.735 22.731 ( -0.375 0.000 4.903) 4.918 23.314 ( -11.233 0.000 -6.464) 12.961 23.976 ( -2.517 0.000 -3.034) 3.942 24.018 ( -2.985 0.000 -0.646) 3.054 24.242 ( 7.149 0.000 4.179) 8.281 24.251 ( 6.400 0.000 0.517) 6.421 24.815 ( -0.580 0.000 -4.923) 4.957 24.996 ( 8.902 0.000 12.053) 14.984 25.311 ( -1.118 0.000 -4.473) 4.611 25.620 ( 6.672 0.000 6.214) 9.117 25.728 ( 6.463 0.000 -8.262) 10.489 25.864 ( 1.443 0.000 0.474) 1.519 26.401 ( -3.038 0.000 -0.666) 3.110 26.962 ( -1.006 0.000 -3.271) 3.422 ======================= Grid point 4 (5/136) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 3.842 0.000 7.157) 8.123 2.178 ( 4.134 0.000 -7.598) 8.649 2.511 ( 7.167 0.000 -2.838) 7.709 3.398 ( 6.972 0.000 -5.763) 9.045 3.429 ( -5.307 0.000 3.486) 6.350 3.652 ( 2.065 0.000 -5.361) 5.745 3.975 ( -3.991 0.000 2.792) 4.871 4.236 ( -14.874 0.000 -10.198) 18.034 4.286 ( 18.392 0.000 6.456) 19.492 4.447 ( -0.186 0.000 -9.917) 9.918 4.634 ( 4.349 0.000 -4.119) 5.990 5.006 ( 3.743 0.000 -4.505) 5.857 5.006 ( 8.665 0.000 11.959) 14.768 5.284 ( 22.470 0.000 9.036) 24.219 5.403 ( 16.512 0.000 -4.021) 16.994 5.583 ( -2.508 0.000 -1.917) 3.157 5.747 ( 9.344 0.000 -3.748) 10.068 5.812 ( 12.912 0.000 -3.055) 13.269 5.855 ( 1.596 0.000 1.738) 2.360 6.297 ( 4.909 0.000 -1.613) 5.167 6.420 ( -2.941 0.000 6.007) 6.689 6.844 ( -3.325 0.000 -0.781) 3.416 6.853 ( 3.590 0.000 -2.086) 4.152 7.368 ( 0.142 0.000 6.547) 6.548 7.493 ( -3.314 0.000 -3.846) 5.077 7.808 ( -2.274 0.000 5.820) 6.248 7.968 ( -2.429 0.000 2.616) 3.570 8.061 ( -6.908 0.000 0.780) 6.952 8.086 ( -10.567 0.000 -13.595) 17.219 8.456 ( -13.255 0.000 0.839) 13.281 8.612 ( -1.827 0.000 3.348) 3.814 8.653 ( -6.049 0.000 -3.904) 7.199 9.114 ( -3.224 0.000 -3.130) 4.494 9.668 ( 8.945 0.000 -3.144) 9.482 9.793 ( 10.361 0.000 18.175) 20.921 10.069 ( 1.983 0.000 3.131) 3.706 10.201 ( -6.553 0.000 -7.768) 10.163 10.410 ( -0.681 0.000 1.413) 1.568 10.535 ( 0.696 0.000 5.594) 5.637 10.831 ( 17.009 0.000 -7.176) 18.461 10.977 ( 5.929 0.000 6.952) 9.137 11.024 ( 2.395 0.000 11.949) 12.187 11.618 ( -4.029 0.000 -6.700) 7.819 11.748 ( -7.419 0.000 -6.922) 10.147 11.897 ( 1.930 0.000 -4.212) 4.634 12.376 ( 1.368 0.000 12.526) 12.601 12.425 ( -9.807 0.000 7.183) 12.156 12.451 ( -0.597 0.000 -6.464) 6.491 12.915 ( 8.258 0.000 -1.212) 8.346 13.053 ( -10.939 0.000 2.234) 11.165 13.590 ( -0.395 0.000 -0.187) 0.437 13.615 ( 0.257 0.000 2.003) 2.020 14.086 ( 2.605 0.000 -0.443) 2.642 14.128 ( -2.601 0.000 -5.130) 5.752 14.292 ( -8.504 0.000 -13.247) 15.741 14.613 ( 4.747 0.000 0.302) 4.756 14.851 ( 0.147 0.000 -1.408) 1.416 14.935 ( -3.859 0.000 3.340) 5.104 15.218 ( 8.097 0.000 -11.773) 14.289 15.822 ( 0.733 0.000 4.492) 4.551 15.951 ( -6.896 0.000 3.593) 7.776 16.741 ( -2.455 0.000 6.763) 7.195 22.173 ( 0.933 0.000 -0.927) 1.315 22.609 ( 1.612 0.000 0.722) 1.766 22.769 ( -0.064 0.000 3.323) 3.324 23.077 ( -9.244 0.000 -5.062) 10.539 23.907 ( -2.024 0.000 -2.282) 3.050 23.958 ( -2.270 0.000 -1.586) 2.769 24.373 ( 5.524 0.000 3.050) 6.310 24.433 ( 8.621 0.000 6.440) 10.761 24.742 ( -2.120 0.000 -5.108) 5.531 25.091 ( -5.631 0.000 -0.423) 5.647 25.383 ( 7.586 0.000 8.508) 11.399 25.747 ( 6.178 0.000 -10.318) 12.026 25.782 ( 4.830 0.000 5.680) 7.456 25.887 ( 1.724 0.000 -1.377) 2.207 26.356 ( -1.570 0.000 -0.319) 1.602 26.913 ( -1.469 0.000 -2.137) 2.593 ======================= Grid point 5 (6/136) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 1.163 0.000 2.343) 2.616 1.969 ( -4.772 0.000 -8.614) 9.848 2.802 ( 10.850 0.000 4.428) 11.719 3.462 ( 3.841 0.000 -0.387) 3.861 3.482 ( 3.946 0.000 10.011) 10.761 3.594 ( -1.073 0.000 -5.530) 5.633 3.828 ( -14.919 0.000 -13.445) 20.083 3.962 ( -1.242 0.000 2.815) 3.077 4.345 ( -1.417 0.000 -4.189) 4.423 4.542 ( 6.087 0.000 2.875) 6.732 4.619 ( -0.477 0.000 -3.332) 3.366 5.118 ( 8.839 0.000 4.320) 9.838 5.244 ( 5.870 0.000 5.839) 8.280 5.410 ( -12.986 0.000 -6.554) 14.546 5.438 ( 5.716 0.000 0.752) 5.766 5.567 ( -1.005 0.000 -2.014) 2.251 5.661 ( -1.041 0.000 -3.160) 3.327 5.848 ( -0.669 0.000 2.401) 2.492 6.306 ( 16.492 0.000 2.645) 16.703 6.390 ( 4.239 0.000 -0.849) 4.323 6.545 ( 14.835 0.000 5.559) 15.843 6.818 ( -5.466 0.000 -2.566) 6.038 6.928 ( 6.824 0.000 -2.004) 7.112 7.405 ( -1.415 0.000 5.376) 5.559 7.482 ( 2.330 0.000 1.222) 2.632 7.769 ( -8.024 0.000 -10.154) 12.942 7.843 ( -0.246 0.000 1.141) 1.168 7.872 ( -8.041 0.000 -0.001) 8.041 8.002 ( -2.556 0.000 1.271) 2.855 8.269 ( -5.275 0.000 0.234) 5.280 8.520 ( -4.364 0.000 -1.791) 4.717 8.607 ( -1.012 0.000 0.621) 1.187 9.049 ( -1.527 0.000 -0.952) 1.800 9.799 ( 6.544 0.000 0.487) 6.562 10.000 ( 0.720 0.000 3.514) 3.587 10.038 ( -4.413 0.000 -4.759) 6.490 10.283 ( 12.076 0.000 12.640) 17.482 10.405 ( -1.001 0.000 0.961) 1.388 10.541 ( -3.449 0.000 -2.612) 4.326 10.882 ( -2.633 0.000 -5.562) 6.153 11.110 ( 4.118 0.000 3.093) 5.150 11.227 ( 6.944 0.000 10.696) 12.752 11.517 ( -8.865 0.000 -9.099) 12.704 11.593 ( 5.761 0.000 -3.590) 6.788 11.874 ( -2.151 0.000 0.657) 2.249 12.293 ( -6.232 0.000 -0.260) 6.237 12.301 ( -4.980 0.000 1.818) 5.302 12.638 ( 12.056 0.000 -0.150) 12.057 12.886 ( -10.379 0.000 1.464) 10.482 13.075 ( 5.328 0.000 2.053) 5.709 13.630 ( 0.260 0.000 0.260) 0.368 13.654 ( 6.421 0.000 5.314) 8.334 13.968 ( -12.498 0.000 -9.696) 15.818 14.068 ( -0.329 0.000 -3.774) 3.789 14.118 ( 1.126 0.000 -0.008) 1.126 14.676 ( 2.010 0.000 0.187) 2.018 14.844 ( 0.118 0.000 -0.506) 0.519 14.924 ( -0.770 0.000 1.371) 1.572 15.221 ( 1.857 0.000 -3.641) 4.087 15.863 ( 0.396 0.000 1.531) 1.581 15.895 ( -2.318 0.000 1.031) 2.537 16.752 ( -1.287 0.000 2.486) 2.799 22.179 ( 0.380 0.000 -0.321) 0.498 22.644 ( 1.311 0.000 0.657) 1.466 22.792 ( 0.003 0.000 1.159) 1.159 22.918 ( -4.238 0.000 -2.301) 4.823 23.868 ( -0.755 0.000 -0.767) 1.076 23.918 ( -0.825 0.000 -0.742) 1.110 24.492 ( 4.019 0.000 3.502) 5.331 24.643 ( 7.254 0.000 5.691) 9.220 24.647 ( -2.947 0.000 -4.156) 5.095 24.943 ( -6.449 0.000 -4.389) 7.801 25.583 ( 2.347 0.000 11.318) 11.559 25.721 ( 3.112 0.000 -10.802) 11.241 25.880 ( -1.215 0.000 6.644) 6.754 25.899 ( 3.781 0.000 -5.138) 6.380 26.339 ( -0.359 0.000 -0.033) 0.360 26.877 ( -0.729 0.000 -0.785) 1.072 ======================= Grid point 11 (7/136) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( 0.000 30.193 0.000) 30.193 0.684 ( 0.000 34.005 0.000) 34.005 1.120 ( 0.000 52.551 0.000) 52.551 2.627 ( 0.000 -5.945 0.000) 5.945 2.979 ( 0.000 -3.130 0.000) 3.130 3.143 ( 0.000 -11.066 0.000) 11.066 3.205 ( 0.000 -13.733 0.000) 13.733 3.792 ( 0.000 -0.791 0.000) 0.791 3.838 ( 0.000 -1.012 0.000) 1.012 4.050 ( 0.000 3.837 0.000) 3.837 4.296 ( 0.000 10.054 0.000) 10.054 4.485 ( 0.000 -0.353 0.000) 0.353 4.607 ( 0.000 4.414 0.000) 4.414 4.982 ( 0.000 2.541 0.000) 2.541 5.009 ( 0.000 7.509 0.000) 7.509 5.389 ( 0.000 1.923 0.000) 1.923 5.904 ( 0.000 -4.813 0.000) 4.813 6.133 ( 0.000 -5.103 0.000) 5.103 6.309 ( 0.000 -12.175 0.000) 12.175 6.431 ( 0.000 -16.744 0.000) 16.744 6.727 ( 0.000 7.281 0.000) 7.281 7.112 ( 0.000 11.049 0.000) 11.049 7.446 ( 0.000 -3.513 0.000) 3.513 7.457 ( 0.000 -2.018 0.000) 2.018 7.558 ( 0.000 0.170 0.000) 0.170 7.760 ( 0.000 -4.913 0.000) 4.913 7.798 ( 0.000 11.345 0.000) 11.345 8.251 ( 0.000 2.299 0.000) 2.299 8.496 ( 0.000 -8.978 0.000) 8.978 8.744 ( 0.000 -4.626 0.000) 4.626 8.834 ( 0.000 0.970 0.000) 0.970 8.907 ( 0.000 -1.396 0.000) 1.396 9.153 ( 0.000 -0.934 0.000) 0.934 9.515 ( 0.000 2.494 0.000) 2.494 9.623 ( 0.000 5.032 0.000) 5.032 9.770 ( 0.000 -1.188 0.000) 1.188 9.891 ( 0.000 0.766 0.000) 0.766 10.105 ( 0.000 6.245 0.000) 6.245 10.233 ( 0.000 -2.581 0.000) 2.581 10.345 ( 0.000 7.013 0.000) 7.013 10.662 ( 0.000 1.807 0.000) 1.807 10.732 ( 0.000 -5.821 0.000) 5.821 11.155 ( 0.000 -0.017 0.000) 0.017 11.576 ( 0.000 -14.315 0.000) 14.315 11.936 ( 0.000 -4.835 0.000) 4.835 12.166 ( 0.000 -6.078 0.000) 6.078 12.240 ( 0.000 11.214 0.000) 11.214 13.003 ( 0.000 -5.941 0.000) 5.941 13.056 ( 0.000 12.578 0.000) 12.578 13.302 ( 0.000 2.170 0.000) 2.170 13.735 ( 0.000 1.006 0.000) 1.006 13.747 ( 0.000 3.461 0.000) 3.461 14.003 ( 0.000 -0.992 0.000) 0.992 14.190 ( 0.000 -6.148 0.000) 6.148 14.422 ( 0.000 -0.287 0.000) 0.287 14.471 ( 0.000 0.938 0.000) 0.938 15.001 ( 0.000 1.742 0.000) 1.742 15.226 ( 0.000 -2.145 0.000) 2.145 15.523 ( 0.000 1.744 0.000) 1.744 15.742 ( 0.000 -0.718 0.000) 0.718 16.288 ( 0.000 5.380 0.000) 5.380 16.999 ( 0.000 -6.071 0.000) 6.071 22.200 ( 0.000 3.520 0.000) 3.520 22.616 ( 0.000 -2.923 0.000) 2.923 23.463 ( 0.000 2.220 0.000) 2.220 23.846 ( 0.000 -4.386 0.000) 4.386 23.964 ( 0.000 0.306 0.000) 0.306 24.034 ( 0.000 -1.149 0.000) 1.149 24.094 ( 0.000 1.623 0.000) 1.623 24.270 ( 0.000 -1.424 0.000) 1.424 24.637 ( 0.000 4.409 0.000) 4.409 24.960 ( 0.000 -2.803 0.000) 2.803 25.151 ( 0.000 3.559 0.000) 3.559 25.274 ( 0.000 0.090 0.000) 0.090 25.693 ( 0.000 0.224 0.000) 0.224 25.779 ( 0.000 -0.505 0.000) 0.505 26.020 ( 0.000 2.703 0.000) 2.703 26.504 ( 0.000 -3.980 0.000) 3.980 ======================= Grid point 12 (8/136) ======================= q-point: ( 0.09 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 8.621 27.326 12.620) 31.310 1.011 ( 22.600 27.081 6.093) 35.795 1.635 ( 47.103 27.552 16.464) 56.999 2.798 ( 21.461 -7.322 -8.746) 24.304 3.185 ( 9.882 -11.023 0.715) 14.821 3.247 ( 17.956 -8.373 2.074) 19.920 3.296 ( 15.891 -4.585 -0.392) 16.544 3.712 ( 4.095 -1.188 -16.185) 16.737 3.888 ( -1.774 -0.974 5.386) 5.754 4.052 ( 0.489 4.860 0.834) 4.956 4.250 ( 2.351 5.940 -9.283) 11.269 4.552 ( 5.791 -1.540 -0.917) 6.062 4.639 ( 2.173 6.519 3.573) 7.745 5.026 ( 1.130 7.311 2.812) 7.914 5.066 ( 6.139 1.935 5.033) 8.171 5.315 ( -5.142 5.502 -0.537) 7.550 5.750 ( -6.310 -5.079 -9.880) 12.776 6.051 ( -6.077 -6.351 -6.652) 11.024 6.258 ( -6.720 -11.124 -1.191) 13.051 6.474 ( -1.931 -10.924 6.602) 12.909 6.582 ( -9.336 4.785 -6.796) 12.500 7.167 ( -0.277 8.140 4.818) 9.463 7.211 ( -8.052 1.554 -6.187) 10.273 7.570 ( 1.382 1.314 3.998) 4.429 7.630 ( -0.890 -8.153 3.136) 8.781 7.800 ( 5.827 -2.009 10.511) 12.185 7.969 ( 8.212 6.097 -2.188) 10.459 8.143 ( -8.068 1.443 -1.917) 8.417 8.445 ( -13.489 -5.473 3.503) 14.972 8.556 ( -4.151 0.096 -1.925) 4.577 8.688 ( -8.126 -3.927 4.325) 10.008 9.019 ( 2.417 2.887 4.063) 5.539 9.150 ( 0.121 -1.899 -0.111) 1.906 9.538 ( -5.170 3.516 11.234) 12.856 9.614 ( 2.244 3.493 -5.053) 6.540 9.770 ( 4.101 9.705 -3.010) 10.957 10.031 ( 13.502 -1.067 0.555) 13.556 10.163 ( 1.730 0.355 2.029) 2.690 10.283 ( 4.995 5.054 -8.233) 10.875 10.653 ( 4.944 -11.203 6.686) 13.952 10.727 ( 5.184 -2.299 -7.250) 9.204 10.840 ( 3.721 -10.986 3.535) 12.126 11.284 ( 12.156 -10.399 14.421) 21.538 11.529 ( 1.256 -9.969 -3.446) 10.622 11.885 ( -3.248 -0.946 -1.466) 3.687 12.206 ( -6.255 -3.768 6.458) 9.748 12.329 ( 3.786 -6.883 9.374) 12.230 12.943 ( -8.865 -6.891 4.898) 12.250 13.117 ( 6.805 9.159 -3.322) 11.884 13.309 ( 1.542 1.092 -0.931) 2.106 13.650 ( -6.608 2.475 -1.578) 7.231 13.798 ( 1.924 4.724 0.691) 5.148 14.004 ( -2.294 -3.284 3.260) 5.165 14.211 ( 2.960 -3.932 0.358) 4.934 14.407 ( -0.769 2.520 1.067) 2.843 14.531 ( 8.675 -3.276 -6.255) 11.185 14.986 ( 1.396 1.257 -4.873) 5.222 15.193 ( -3.229 -1.699 -1.048) 3.796 15.483 ( -5.991 11.338 -15.815) 20.360 15.609 ( -0.535 5.610 0.896) 5.706 16.245 ( -4.584 4.157 0.022) 6.188 16.710 ( -12.416 7.650 -2.045) 14.726 22.199 ( 0.234 3.507 -0.486) 3.548 22.617 ( 0.084 -2.619 -0.310) 2.639 22.946 ( -22.234 24.698 -5.174) 33.632 23.754 ( -7.416 -4.484 -5.476) 10.251 23.982 ( 1.781 -0.664 1.440) 2.385 24.003 ( -0.189 -0.979 0.260) 1.031 24.103 ( 1.372 0.856 -0.242) 1.635 24.214 ( 0.791 1.701 -7.052) 7.297 24.536 ( 8.375 8.004 -0.319) 11.589 24.940 ( -1.640 0.202 -4.171) 4.487 25.289 ( 3.549 0.879 8.089) 8.877 25.408 ( 1.316 -2.011 -0.003) 2.403 25.696 ( 2.462 0.474 -3.329) 4.168 25.831 ( 2.415 2.826 0.012) 3.717 26.478 ( 0.179 -5.712 -0.457) 5.733 26.565 ( 21.003 -25.669 8.893) 34.338 ======================= Grid point 13 (9/136) ======================= q-point: ( 0.18 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 8.729 19.233 14.255) 25.481 1.471 ( 22.736 22.861 10.112) 33.790 2.672 ( 47.112 5.120 16.047) 50.033 2.963 ( 6.556 -10.940 -11.180) 16.960 3.375 ( 13.343 0.655 -8.673) 15.927 3.477 ( 8.629 -1.850 -2.160) 9.085 3.600 ( 11.650 -7.656 -7.929) 16.038 3.869 ( 10.884 -2.210 -0.762) 11.132 3.947 ( 28.233 -2.187 3.962) 28.593 4.101 ( 4.015 1.749 0.986) 4.489 4.271 ( 15.353 3.566 -11.295) 19.391 4.614 ( 6.578 0.171 -6.850) 9.499 4.737 ( 3.178 7.243 5.371) 9.561 5.052 ( -1.366 4.916 -4.161) 6.584 5.251 ( 2.755 8.372 6.971) 11.237 5.322 ( 9.827 2.172 9.194) 13.632 5.615 ( 0.135 -3.822 -6.474) 7.519 5.810 ( -11.723 -3.307 -11.207) 16.552 6.056 ( -13.758 -7.292 2.033) 15.704 6.338 ( -5.380 0.974 -2.879) 6.179 6.530 ( 0.456 -9.864 -4.662) 10.919 6.946 ( -14.832 -5.128 -1.378) 15.754 7.238 ( -5.434 10.380 9.367) 15.000 7.500 ( -8.197 -3.290 -3.331) 9.440 7.619 ( -1.633 1.484 0.815) 2.352 7.875 ( -3.339 -4.873 -0.616) 5.940 8.036 ( -3.613 1.484 4.520) 5.974 8.142 ( 3.357 3.668 5.366) 7.316 8.315 ( -2.206 -3.234 1.508) 4.196 8.517 ( -1.577 -3.231 3.202) 4.814 8.595 ( -6.661 -5.041 3.195) 8.943 9.073 ( -0.008 6.954 0.470) 6.970 9.176 ( 3.294 -1.326 0.603) 3.602 9.451 ( -11.574 7.675 4.173) 14.501 9.610 ( 3.864 5.444 -5.443) 8.614 9.921 ( 6.722 6.366 8.754) 12.741 10.213 ( 11.190 0.130 -4.230) 11.963 10.259 ( 5.802 -5.398 0.598) 7.947 10.357 ( 11.946 -1.678 -10.568) 16.038 10.615 ( 2.273 0.482 -11.286) 11.523 10.745 ( -5.726 -8.238 7.932) 12.789 10.845 ( -4.955 -3.610 7.066) 9.355 11.525 ( 12.138 -1.545 -0.823) 12.263 11.678 ( 5.033 -12.994 5.316) 14.914 11.836 ( 0.095 -1.465 3.600) 3.888 12.105 ( -10.730 -9.890 2.517) 14.808 12.444 ( 0.720 -0.575 7.774) 7.828 12.810 ( -10.404 -6.492 2.920) 12.606 13.147 ( -0.360 10.251 -4.378) 11.153 13.341 ( 4.938 -3.594 -4.490) 7.580 13.489 ( -11.195 3.743 1.333) 11.879 13.814 ( -2.836 8.057 4.956) 9.875 14.000 ( 0.393 -3.147 0.144) 3.175 14.276 ( 2.368 -0.596 0.525) 2.498 14.427 ( 3.683 0.766 -1.858) 4.196 14.591 ( 2.828 -2.312 -3.608) 5.134 14.959 ( 0.575 1.920 -4.226) 4.677 15.088 ( -4.584 0.439 -5.756) 7.371 15.251 ( 4.505 11.367 -19.964) 23.410 15.675 ( 0.029 0.716 7.247) 7.282 16.155 ( -8.331 1.795 4.561) 9.666 16.630 ( -2.768 0.798 5.889) 6.556 22.200 ( 0.611 3.480 -0.852) 3.634 22.607 ( -0.154 0.040 -0.950) 0.963 22.747 ( -5.165 10.258 3.495) 12.005 23.529 ( -10.803 -4.309 -6.631) 13.388 24.013 ( -0.641 -1.442 0.236) 1.596 24.027 ( 0.075 -1.643 2.010) 2.597 24.136 ( 3.667 1.304 0.098) 3.893 24.189 ( 3.937 1.672 -4.760) 6.400 24.740 ( 10.192 3.595 6.833) 12.786 24.879 ( -0.505 0.964 -4.169) 4.309 25.382 ( -1.198 0.050 -2.630) 2.891 25.441 ( 5.064 -0.246 5.935) 7.806 25.719 ( 5.505 1.901 -5.267) 7.852 25.876 ( 2.331 4.051 0.696) 4.725 26.436 ( -2.974 -2.910 -0.282) 4.171 26.812 ( 6.063 -16.704 -0.154) 17.771 ======================= Grid point 14 (10/136) ======================= q-point: ( 0.27 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 5.801 14.202 10.838) 18.783 1.976 ( 23.558 17.541 10.122) 31.067 2.791 ( -6.828 -2.094 -18.310) 19.653 3.254 ( 9.073 -6.470 -4.069) 11.863 3.448 ( 1.506 -8.146 4.310) 9.338 3.582 ( 6.899 -2.935 -8.466) 11.308 3.703 ( 11.582 -0.622 0.955) 11.638 4.055 ( -0.018 -1.732 -1.239) 2.130 4.246 ( 24.265 -0.643 6.639) 25.165 4.511 ( 15.013 3.532 -1.750) 15.521 4.597 ( 23.809 -5.536 -5.899) 25.146 4.701 ( 14.171 1.534 -1.111) 14.297 4.912 ( 8.566 6.932 5.303) 12.229 4.938 ( 6.400 13.228 -9.675) 17.594 5.359 ( 5.165 6.209 2.772) 8.539 5.466 ( -2.043 0.788 -6.737) 7.084 5.627 ( 3.191 -2.895 -2.852) 5.167 5.670 ( 10.705 0.833 6.018) 12.308 5.946 ( -3.503 -1.891 3.552) 5.335 6.304 ( 2.407 -4.083 -1.826) 5.079 6.346 ( -10.801 -8.176 -8.595) 16.043 6.774 ( -5.484 -6.928 3.886) 9.653 7.095 ( -16.430 4.075 3.252) 17.237 7.398 ( -0.580 4.128 -1.318) 4.371 7.592 ( -3.060 2.091 0.423) 3.730 7.789 ( -4.112 -2.605 -2.301) 5.385 7.974 ( -5.397 -1.138 4.152) 6.904 8.167 ( -5.160 -0.410 -0.007) 5.176 8.268 ( -5.475 -5.900 1.226) 8.142 8.541 ( -3.365 -7.089 3.021) 8.408 8.589 ( 1.860 6.788 3.163) 7.717 8.967 ( -8.798 10.503 -4.036) 14.282 9.197 ( -1.225 0.693 -3.120) 3.423 9.452 ( 2.535 0.457 11.265) 11.555 9.646 ( 7.684 4.542 -2.980) 9.410 10.065 ( 2.215 3.702 4.983) 6.591 10.219 ( -5.313 -8.562 -5.782) 11.618 10.346 ( 2.078 -6.266 -1.713) 6.821 10.489 ( 14.899 4.459 -0.968) 15.582 10.654 ( 12.343 2.359 -10.401) 16.312 10.724 ( -5.471 -7.361 8.428) 12.456 10.909 ( 4.527 -1.175 10.474) 11.471 11.649 ( -7.220 -7.440 0.905) 10.407 11.686 ( 4.395 -2.505 -2.198) 5.516 11.914 ( -10.701 -11.461 0.866) 15.704 12.043 ( 12.721 -5.836 6.536) 15.447 12.508 ( -2.410 4.320 3.735) 6.198 12.704 ( -1.870 -2.525 2.775) 4.192 13.040 ( -5.737 15.295 -4.524) 16.951 13.268 ( -8.336 3.823 -3.368) 9.770 13.416 ( 1.743 -5.886 -0.174) 6.141 13.812 ( -4.238 9.832 6.443) 12.496 14.021 ( 2.689 -2.288 -1.461) 3.821 14.257 ( -2.318 1.957 -4.466) 5.399 14.485 ( 3.283 -1.501 -3.068) 4.737 14.548 ( -1.508 1.502 -3.630) 4.208 14.907 ( -1.766 3.637 -4.069) 5.736 14.983 ( -3.442 -1.705 0.444) 3.867 15.206 ( 9.947 3.327 -16.802) 19.807 15.734 ( -0.664 -2.457 5.557) 6.112 16.062 ( -8.210 2.330 5.646) 10.232 16.662 ( -2.387 -3.346 7.648) 8.682 22.203 ( 0.832 3.532 -0.873) 3.733 22.606 ( 0.589 0.876 -0.026) 1.056 22.736 ( -1.829 2.173 3.943) 4.859 23.275 ( -10.987 -3.799 -6.117) 13.136 23.971 ( -2.190 -0.416 -2.619) 3.439 24.007 ( -2.502 -0.976 -0.652) 2.764 24.243 ( 6.444 0.333 3.006) 7.118 24.261 ( 6.023 0.642 0.939) 6.129 24.831 ( -0.675 1.528 -3.955) 4.293 24.986 ( 7.113 -0.983 10.268) 12.529 25.324 ( -0.561 1.321 -4.252) 4.488 25.571 ( 4.772 -3.779 1.920) 6.383 25.788 ( 8.079 5.508 -3.826) 10.499 25.922 ( 2.430 4.937 0.263) 5.509 26.383 ( -2.586 -1.695 -0.275) 3.105 26.855 ( 1.220 -10.052 -1.634) 10.257 ======================= Grid point 15 (11/136) ======================= q-point: ( 0.36 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 3.163 11.523 6.645) 13.673 2.308 ( -0.464 11.534 -11.065) 15.990 2.597 ( 12.193 7.514 1.211) 14.373 3.285 ( 2.187 -7.691 -2.216) 8.297 3.447 ( -2.749 -2.264 3.924) 5.299 3.600 ( 5.490 -2.200 -8.715) 10.533 3.836 ( -0.349 -15.272 5.259) 16.156 4.043 ( 1.054 -6.955 -4.168) 8.176 4.381 ( -15.363 7.973 -13.860) 22.174 4.570 ( 6.993 3.523 -1.141) 7.912 4.787 ( 10.403 12.617 -0.143) 16.353 4.848 ( 7.979 -9.182 -0.357) 12.169 5.079 ( 7.020 2.315 10.285) 12.665 5.329 ( 14.618 4.557 6.469) 16.622 5.484 ( 19.271 6.717 -3.567) 20.718 5.586 ( -4.159 -0.721 -3.116) 5.247 5.705 ( -9.542 -3.344 -8.017) 12.904 5.816 ( 34.102 3.145 2.885) 34.368 5.908 ( -1.493 2.836 0.389) 3.229 6.262 ( 8.494 -3.052 -0.664) 9.050 6.377 ( 3.388 -3.763 1.500) 5.281 6.768 ( -0.004 -6.485 2.255) 6.866 6.901 ( -3.912 2.998 -1.582) 5.176 7.401 ( -4.402 1.285 7.258) 8.585 7.486 ( -3.516 0.314 -5.078) 6.184 7.762 ( 0.984 -3.768 1.579) 4.203 7.943 ( -3.947 -2.143 3.709) 5.825 8.043 ( -7.576 2.669 -1.926) 8.260 8.115 ( -8.287 -0.612 -6.315) 10.437 8.452 ( -10.630 -2.031 0.970) 10.865 8.616 ( -0.463 3.534 1.385) 3.824 8.778 ( -8.056 9.093 -2.900) 12.489 9.132 ( -2.135 2.089 -2.838) 4.120 9.566 ( 2.902 -5.298 3.788) 7.130 9.898 ( 13.792 3.034 11.980) 18.519 10.053 ( -5.437 -9.756 -7.204) 13.291 10.124 ( 2.488 4.658 -0.052) 5.281 10.350 ( -0.883 -3.649 1.682) 4.114 10.636 ( 3.656 5.758 -0.555) 6.844 10.730 ( -2.729 -14.496 6.732) 16.214 10.856 ( 16.264 1.571 -3.498) 16.710 11.159 ( 10.578 2.250 8.488) 13.747 11.505 ( -8.198 -4.586 -1.173) 9.467 11.575 ( -8.988 -10.216 -3.952) 14.170 11.808 ( -5.952 -11.428 2.886) 13.205 12.335 ( 13.001 -4.027 5.223) 14.578 12.416 ( -4.882 8.748 -5.075) 11.230 12.832 ( 8.062 -4.185 4.132) 9.979 12.892 ( -7.098 24.332 0.282) 25.348 13.101 ( -8.033 2.625 -1.417) 8.569 13.458 ( 4.643 -5.223 -1.334) 7.115 13.786 ( -5.201 9.491 4.432) 11.694 14.055 ( 2.235 -2.327 -1.004) 3.379 14.149 ( -3.622 1.288 -4.424) 5.860 14.327 ( -8.656 2.776 -11.307) 14.508 14.590 ( 3.695 -2.591 0.349) 4.527 14.852 ( -0.728 0.498 -1.722) 1.935 14.972 ( -0.446 3.146 2.972) 4.351 15.208 ( 5.826 -0.427 -10.861) 12.333 15.763 ( -0.851 -5.519 2.830) 6.261 15.998 ( -4.842 4.573 4.333) 7.946 16.686 ( -2.961 -5.406 6.075) 8.654 22.210 ( 0.761 3.607 -0.584) 3.733 22.625 ( 1.344 0.751 0.470) 1.610 22.746 ( -1.033 -1.537 2.732) 3.300 23.047 ( -8.857 -2.906 -4.749) 10.461 23.908 ( -1.961 0.057 -2.199) 2.947 23.951 ( -2.169 -0.635 -1.599) 2.768 24.369 ( 5.329 -0.239 2.711) 5.983 24.418 ( 7.495 -1.277 4.877) 9.033 24.775 ( -1.492 3.015 -3.120) 4.588 25.081 ( -4.342 -1.289 1.147) 4.672 25.363 ( 5.970 -1.229 4.797) 7.756 25.633 ( 3.336 -6.350 -3.348) 7.916 25.902 ( 7.123 7.760 -0.949) 10.577 25.962 ( 2.278 6.057 -0.418) 6.484 26.348 ( -1.265 -0.756 -0.110) 1.477 26.843 ( -0.357 -6.724 -1.451) 6.888 ======================= Grid point 16 (12/136) ======================= q-point: ( 0.45 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 1.242 10.987 2.658) 11.372 2.078 ( -4.743 10.275 -8.405) 14.097 2.910 ( 10.639 8.034 3.620) 13.814 3.317 ( 1.034 -8.578 2.072) 8.885 3.480 ( 0.953 -4.148 3.009) 5.212 3.594 ( 3.572 1.675 -3.022) 4.970 3.877 ( -1.853 -5.752 3.841) 7.161 3.967 ( -10.634 2.888 -2.896) 11.393 4.005 ( -1.720 -11.546 -11.265) 16.223 4.574 ( -0.099 -0.241 -3.334) 3.344 4.946 ( 4.040 20.254 2.969) 20.865 4.991 ( 7.239 -9.475 4.166) 12.631 5.316 ( -9.398 -6.027 -3.905) 11.828 5.338 ( 7.298 5.986 2.987) 9.900 5.479 ( 6.704 -0.895 0.463) 6.779 5.533 ( -5.425 -0.944 0.819) 5.567 5.731 ( -4.542 7.883 -6.730) 11.317 5.880 ( 2.529 2.162 2.753) 4.318 6.322 ( 16.332 1.604 2.265) 16.566 6.394 ( 5.212 0.274 -0.788) 5.279 6.554 ( 16.485 -0.185 2.252) 16.639 6.811 ( 2.342 -5.970 0.266) 6.418 6.856 ( -5.491 -0.834 -1.393) 5.726 7.343 ( -0.553 -5.802 -0.554) 5.855 7.500 ( 0.711 1.861 3.932) 4.408 7.783 ( -0.939 -2.798 0.652) 3.023 7.858 ( -8.346 -1.737 -0.488) 8.538 7.911 ( -0.632 7.844 -5.929) 9.853 7.936 ( -6.201 -1.082 0.945) 6.365 8.289 ( -5.736 1.474 -0.116) 5.924 8.607 ( -0.825 0.056 0.186) 0.848 8.658 ( -3.233 10.438 -0.934) 10.967 9.083 ( -1.042 3.787 -0.909) 4.032 9.672 ( 4.283 -8.805 3.659) 10.452 9.893 ( -4.624 -11.709 -5.207) 13.623 10.143 ( 2.034 10.911 -0.510) 11.111 10.283 ( 11.131 -2.668 12.797) 17.169 10.348 ( -0.184 -2.624 0.656) 2.711 10.620 ( -4.637 1.727 -4.256) 6.527 10.733 ( 0.201 -11.929 -1.854) 12.074 11.034 ( 5.390 -2.011 2.532) 6.286 11.276 ( -4.644 -7.941 -0.178) 9.201 11.419 ( -0.428 0.888 -0.316) 1.035 11.517 ( 7.539 -2.112 -0.787) 7.869 11.719 ( -7.938 -13.804 3.883) 16.390 12.295 ( -2.336 11.287 -4.420) 12.344 12.552 ( 5.877 -1.397 2.941) 6.719 12.793 ( 0.748 15.301 -2.711) 15.558 12.924 ( -7.964 9.673 2.927) 12.867 13.044 ( 4.483 -3.209 0.349) 5.524 13.565 ( 5.803 -2.361 1.915) 6.552 13.758 ( -0.094 6.310 3.886) 7.412 13.977 ( -10.706 0.645 -6.459) 12.520 14.095 ( 0.541 -1.230 -0.512) 1.439 14.112 ( -1.421 3.373 -4.866) 6.089 14.638 ( 1.357 -3.836 0.156) 4.072 14.838 ( 0.016 0.050 -0.441) 0.445 15.007 ( 0.827 6.997 1.811) 7.275 15.186 ( 0.987 -3.180 -4.099) 5.281 15.767 ( -0.483 -6.493 0.726) 6.551 15.979 ( -1.243 5.540 1.608) 5.901 16.688 ( -1.415 -6.244 2.271) 6.793 22.216 ( 0.316 3.660 -0.194) 3.679 22.658 ( 1.495 1.139 0.631) 1.982 22.750 ( -0.728 -3.907 0.814) 4.056 22.897 ( -3.910 -1.998 -2.065) 4.852 23.869 ( -0.754 0.106 -0.777) 1.088 23.912 ( -0.815 -0.581 -0.754) 1.253 24.479 ( 3.626 -1.116 3.040) 4.861 24.546 ( 2.023 -4.206 0.198) 4.671 24.757 ( 1.934 5.655 1.562) 6.178 24.960 ( -5.651 1.458 -3.708) 6.914 25.521 ( 2.885 -5.004 8.447) 10.233 25.619 ( 0.870 -6.852 -6.672) 9.603 25.985 ( 3.211 7.268 -1.756) 8.138 25.988 ( 0.636 7.678 1.334) 7.819 26.336 ( -0.256 -0.308 0.017) 0.401 26.825 ( -0.354 -5.170 -0.578) 5.214 ======================= Grid point 22 (13/136) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 0.000 28.759 0.000) 28.759 1.349 ( 0.000 32.535 0.000) 32.535 1.897 ( 0.000 15.242 0.000) 15.242 2.453 ( 0.000 -14.126 0.000) 14.126 2.795 ( 0.000 -7.720 0.000) 7.720 2.907 ( 0.000 -3.567 0.000) 3.567 3.153 ( 0.000 6.367 0.000) 6.367 3.797 ( 0.000 -0.315 0.000) 0.315 3.850 ( 0.000 1.600 0.000) 1.600 4.032 ( 0.000 -7.764 0.000) 7.764 4.396 ( 0.000 0.365 0.000) 0.365 4.398 ( 0.000 -4.989 0.000) 4.989 4.807 ( 0.000 12.954 0.000) 12.954 5.084 ( 0.000 5.793 0.000) 5.793 5.222 ( 0.000 13.941 0.000) 13.941 5.393 ( 0.000 -0.938 0.000) 0.938 5.747 ( 0.000 -11.358 0.000) 11.358 5.945 ( 0.000 -16.559 0.000) 16.559 6.100 ( 0.000 -4.483 0.000) 4.483 6.148 ( 0.000 -9.114 0.000) 9.114 6.893 ( 0.000 9.432 0.000) 9.432 7.231 ( 0.000 -1.237 0.000) 1.237 7.407 ( 0.000 -0.437 0.000) 0.437 7.490 ( 0.000 5.846 0.000) 5.846 7.583 ( 0.000 2.087 0.000) 2.087 7.584 ( 0.000 -10.272 0.000) 10.272 8.023 ( 0.000 10.571 0.000) 10.571 8.308 ( 0.000 -1.196 0.000) 1.196 8.384 ( 0.000 0.821 0.000) 0.821 8.619 ( 0.000 -7.520 0.000) 7.520 8.792 ( 0.000 -3.352 0.000) 3.352 8.844 ( 0.000 -4.464 0.000) 4.464 9.187 ( 0.000 5.373 0.000) 5.373 9.510 ( 0.000 -4.608 0.000) 4.608 9.759 ( 0.000 6.609 0.000) 6.609 9.766 ( 0.000 1.507 0.000) 1.507 9.914 ( 0.000 2.154 0.000) 2.154 10.150 ( 0.000 -5.769 0.000) 5.769 10.240 ( 0.000 6.845 0.000) 6.845 10.464 ( 0.000 0.635 0.000) 0.635 10.633 ( 0.000 -0.218 0.000) 0.218 10.700 ( 0.000 1.510 0.000) 1.510 11.167 ( 0.000 1.518 0.000) 1.518 11.351 ( 0.000 -8.346 0.000) 8.346 11.850 ( 0.000 -2.496 0.000) 2.496 12.013 ( 0.000 -8.451 0.000) 8.451 12.440 ( 0.000 9.459 0.000) 9.459 12.842 ( 0.000 -9.794 0.000) 9.794 13.303 ( 0.000 9.657 0.000) 9.657 13.357 ( 0.000 2.926 0.000) 2.926 13.764 ( 0.000 2.046 0.000) 2.046 13.812 ( 0.000 2.144 0.000) 2.144 13.991 ( 0.000 0.133 0.000) 0.133 14.077 ( 0.000 -4.527 0.000) 4.527 14.427 ( 0.000 0.872 0.000) 0.872 14.475 ( 0.000 -0.508 0.000) 0.508 15.032 ( 0.000 1.346 0.000) 1.346 15.152 ( 0.000 -4.630 0.000) 4.630 15.588 ( 0.000 4.193 0.000) 4.193 15.718 ( 0.000 -1.772 0.000) 1.772 16.432 ( 0.000 8.783 0.000) 8.783 16.835 ( 0.000 -9.847 0.000) 9.847 22.295 ( 0.000 5.748 0.000) 5.748 22.533 ( 0.000 -5.178 0.000) 5.178 23.527 ( 0.000 4.149 0.000) 4.149 23.739 ( 0.000 -5.860 0.000) 5.860 23.973 ( 0.000 0.624 0.000) 0.624 24.010 ( 0.000 -1.171 0.000) 1.171 24.134 ( 0.000 2.306 0.000) 2.306 24.232 ( 0.000 -2.290 0.000) 2.290 24.738 ( 0.000 5.120 0.000) 5.120 24.900 ( 0.000 -3.166 0.000) 3.166 25.219 ( 0.000 2.962 0.000) 2.962 25.275 ( 0.000 -0.146 0.000) 0.146 25.702 ( 0.000 0.739 0.000) 0.739 25.757 ( 0.000 -1.564 0.000) 1.564 26.107 ( 0.000 5.980 0.000) 5.980 26.393 ( 0.000 -6.792 0.000) 6.792 ======================= Grid point 23 (14/136) ======================= q-point: ( 0.09 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 5.566 30.302 5.936) 31.375 1.511 ( 25.341 23.931 3.178) 34.999 2.131 ( 22.612 9.927 6.953) 25.655 2.535 ( 8.553 -20.409 -2.517) 22.271 2.960 ( 20.417 -1.283 1.200) 20.492 3.129 ( 19.037 -4.533 3.969) 19.968 3.296 ( 18.737 7.349 -1.668) 20.195 3.759 ( 2.504 4.207 -11.581) 12.574 3.865 ( 0.365 -1.841 1.546) 2.431 4.052 ( 1.411 -6.853 0.260) 7.001 4.311 ( 2.053 1.556 -9.945) 10.273 4.476 ( 4.891 -5.357 0.074) 7.254 4.851 ( 2.483 12.937 3.851) 13.724 5.130 ( 3.404 3.812 2.657) 5.760 5.247 ( 1.787 13.734 0.554) 13.861 5.365 ( -3.368 -1.036 2.065) 4.084 5.598 ( -5.686 -9.720 -8.450) 14.079 5.863 ( -3.894 -13.484 -4.976) 14.890 6.070 ( -2.901 -3.722 -3.117) 5.656 6.250 ( 0.684 -9.827 9.573) 13.736 6.717 ( -15.310 8.102 -5.293) 18.112 7.110 ( -13.565 -7.368 -5.787) 16.486 7.373 ( 6.070 6.446 -1.160) 8.930 7.515 ( -1.347 -3.438 2.949) 4.726 7.619 ( 4.480 2.989 5.077) 7.402 7.716 ( 0.610 -3.572 7.206) 8.066 8.093 ( 5.386 6.194 -0.497) 8.223 8.203 ( -8.604 2.588 -2.195) 9.249 8.327 ( -7.400 -3.052 2.771) 8.471 8.512 ( -8.599 -7.666 -1.330) 11.596 8.674 ( -5.390 4.257 2.954) 7.476 8.972 ( 5.190 -6.328 2.531) 8.567 9.196 ( 1.081 6.208 0.721) 6.343 9.529 ( 0.236 -4.491 2.868) 5.334 9.732 ( 1.223 7.159 0.316) 7.270 9.926 ( 11.461 2.389 1.944) 11.868 10.020 ( 12.087 2.107 -2.219) 12.469 10.196 ( -0.832 1.249 -5.534) 5.734 10.389 ( 4.721 -4.290 -1.995) 6.683 10.398 ( 3.815 1.358 2.636) 4.832 10.637 ( 3.978 -4.309 -2.539) 6.391 10.750 ( -2.098 -3.499 6.662) 7.812 11.210 ( 6.132 0.523 2.932) 6.817 11.368 ( 6.011 -6.093 -3.349) 9.191 11.839 ( -1.466 -1.802 0.149) 2.328 12.002 ( -7.666 -8.551 8.839) 14.492 12.425 ( -0.437 6.725 -0.357) 6.749 12.775 ( -7.111 -9.600 0.508) 11.957 13.320 ( 1.883 7.686 -0.106) 7.914 13.359 ( 0.234 3.358 -0.827) 3.466 13.717 ( -2.858 4.616 -1.617) 5.665 13.878 ( 5.245 0.933 -1.393) 5.506 13.956 ( -3.010 0.727 1.380) 3.390 14.127 ( 4.115 -4.356 1.306) 6.133 14.437 ( 0.877 1.338 0.231) 1.616 14.498 ( 3.816 -1.162 -2.045) 4.483 15.010 ( -0.771 1.187 -2.268) 2.673 15.128 ( -2.767 -4.368 0.052) 5.171 15.590 ( -2.217 3.884 -0.102) 4.473 15.680 ( -3.853 0.649 1.703) 4.262 16.377 ( -4.014 8.325 -3.720) 9.962 16.712 ( -9.235 -5.485 -1.932) 10.914 22.295 ( -0.064 5.787 0.048) 5.787 22.535 ( -0.193 -5.221 0.651) 5.265 23.298 ( -17.107 12.173 -5.650) 21.743 23.639 ( -8.349 -6.699 -4.624) 11.660 23.974 ( 0.686 -0.146 0.317) 0.770 23.986 ( -0.806 -0.711 0.245) 1.102 24.134 ( 0.867 2.046 0.002) 2.222 24.213 ( -0.279 -1.293 -2.038) 2.430 24.714 ( 5.280 8.593 -2.627) 10.422 24.927 ( 0.479 -1.935 -3.030) 3.626 25.313 ( 4.085 1.372 5.435) 6.936 25.369 ( 3.937 -1.730 1.891) 4.698 25.719 ( 4.039 1.982 -3.016) 5.416 25.857 ( 8.663 -1.759 -1.294) 8.934 26.229 ( 8.898 -4.988 7.502) 12.662 26.388 ( -1.338 -6.171 1.675) 6.533 ======================= Grid point 24 (15/136) ======================= q-point: ( 0.18 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 6.054 26.026 7.647) 27.794 1.949 ( 20.702 23.039 6.311) 31.610 2.614 ( 9.854 -18.340 -2.050) 20.920 2.683 ( 19.139 -11.731 9.392) 24.333 3.449 ( 16.292 4.289 -4.453) 17.426 3.491 ( 35.321 5.545 1.769) 35.797 3.572 ( 2.729 5.738 -14.686) 16.002 3.805 ( 15.116 -2.293 -0.328) 15.292 3.882 ( 9.153 -4.819 -0.312) 10.349 4.080 ( 7.232 -4.609 -2.547) 8.946 4.349 ( 13.213 5.483 -5.334) 15.268 4.598 ( 10.737 -2.727 -2.551) 11.368 4.944 ( 5.022 12.420 2.153) 13.569 5.196 ( 1.249 7.108 -7.829) 10.648 5.300 ( 9.897 -0.873 6.477) 11.861 5.411 ( 0.685 -1.601 8.560) 8.735 5.509 ( 2.039 -2.331 -3.062) 4.354 5.776 ( -2.180 -4.121 -1.830) 5.008 5.886 ( -11.557 -1.487 -8.200) 14.248 6.295 ( -4.870 -11.359 4.412) 13.123 6.410 ( -10.603 4.228 -4.637) 12.320 6.786 ( -15.917 -10.634 -3.774) 19.511 7.410 ( -11.695 5.450 3.772) 13.442 7.487 ( 1.042 2.289 -1.861) 3.129 7.672 ( -1.427 3.110 1.171) 3.616 7.787 ( 2.243 -3.642 3.247) 5.370 8.071 ( -8.380 2.112 1.081) 8.710 8.170 ( 1.705 -0.008 0.210) 1.718 8.199 ( -7.430 -4.662 5.952) 10.600 8.408 ( -3.358 -8.168 0.852) 8.873 8.677 ( 1.884 10.267 4.144) 11.231 9.079 ( 4.265 -5.556 3.260) 7.725 9.233 ( 2.406 6.677 -0.854) 7.148 9.524 ( -4.397 -1.233 0.755) 4.629 9.749 ( -1.314 7.480 -1.331) 7.710 10.053 ( -1.848 -4.299 -6.886) 8.326 10.160 ( 8.867 6.359 5.140) 12.061 10.226 ( 8.892 2.244 -2.260) 9.445 10.335 ( 8.648 -1.970 -10.762) 13.946 10.549 ( -2.132 -6.310 9.788) 11.839 10.634 ( 6.387 -0.503 -11.188) 12.892 10.764 ( -3.532 -5.380 7.497) 9.880 11.473 ( 16.129 -3.806 5.867) 17.580 11.494 ( 7.239 -5.394 1.984) 9.243 11.804 ( -4.620 -1.216 3.686) 6.034 11.894 ( -14.080 -7.079 6.847) 17.182 12.453 ( 4.082 0.908 0.078) 4.182 12.654 ( -5.935 -8.284 -0.050) 10.191 13.328 ( -1.351 3.573 -3.808) 5.394 13.359 ( 2.245 4.363 -0.036) 4.906 13.619 ( -6.169 10.149 -2.376) 12.112 13.929 ( 2.383 -3.857 -0.974) 4.637 13.953 ( -0.040 6.360 3.087) 7.070 14.220 ( 3.563 -4.858 2.411) 6.489 14.454 ( 1.434 1.973 -1.022) 2.645 14.549 ( 3.452 -2.109 -1.675) 4.379 14.977 ( 0.367 0.732 -3.068) 3.175 15.062 ( -4.066 -2.722 -1.570) 5.138 15.454 ( -6.108 8.280 -7.762) 12.889 15.666 ( -3.018 -2.175 4.072) 5.515 16.255 ( -6.178 7.982 -0.801) 10.126 16.587 ( -5.782 -5.326 3.118) 8.457 22.295 ( 0.087 5.856 0.117) 5.858 22.540 ( -0.257 -5.210 1.196) 5.351 23.007 ( -10.807 13.062 -2.874) 17.195 23.411 ( -11.102 -7.387 -5.789) 14.537 23.987 ( 0.020 -0.832 0.128) 0.843 23.999 ( 0.105 -1.151 1.190) 1.659 24.167 ( 3.260 1.597 0.011) 3.630 24.207 ( 2.661 0.044 -2.211) 3.461 24.823 ( 5.980 4.080 3.113) 7.880 24.895 ( -0.176 0.361 -2.657) 2.688 25.389 ( 0.406 0.687 -1.903) 2.064 25.430 ( 3.485 -0.883 2.686) 4.488 25.794 ( 8.706 5.836 -3.306) 10.990 25.959 ( 5.139 3.133 -0.980) 6.098 26.357 ( -1.160 -4.571 1.226) 4.873 26.476 ( 7.577 -14.219 4.929) 16.849 ======================= Grid point 25 (16/136) ======================= q-point: ( 0.27 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 3.718 21.725 6.332) 22.933 2.371 ( 20.907 18.974 6.726) 29.024 2.630 ( -0.710 -13.680 -4.569) 14.440 3.073 ( 12.630 -12.479 8.040) 19.490 3.361 ( -5.565 1.510 -11.060) 12.473 3.576 ( 7.708 -0.112 -12.801) 14.943 3.639 ( -4.581 -1.537 -4.944) 6.913 4.004 ( 0.435 -6.343 -2.393) 6.793 4.259 ( 29.526 2.934 9.555) 31.172 4.432 ( 24.739 -5.498 -3.968) 25.651 4.636 ( 16.676 5.870 -0.254) 17.681 4.746 ( 8.737 1.242 0.758) 8.858 5.088 ( 3.928 9.895 -0.341) 10.651 5.210 ( 13.316 11.691 -7.182) 19.120 5.462 ( 0.046 -2.290 2.064) 3.083 5.505 ( 4.495 5.338 -4.760) 8.448 5.580 ( 6.795 1.497 1.098) 7.044 5.688 ( 11.723 0.382 0.931) 11.766 5.838 ( 2.897 -6.791 4.717) 8.761 6.129 ( -8.063 -12.593 -10.459) 18.248 6.292 ( -2.115 2.909 1.117) 3.766 6.595 ( -8.049 -10.110 7.194) 14.790 7.165 ( -13.945 3.750 -2.158) 14.601 7.435 ( -6.175 -3.846 0.161) 7.277 7.668 ( -0.369 5.676 -2.336) 6.149 7.761 ( -5.664 1.231 -1.937) 6.111 7.962 ( -4.903 0.575 5.970) 7.747 8.129 ( -3.177 -2.720 1.861) 4.578 8.200 ( -4.060 -1.312 1.314) 4.464 8.387 ( -1.299 -7.835 1.080) 8.015 8.784 ( 2.655 11.711 4.296) 12.753 9.104 ( -5.852 1.652 -0.993) 6.161 9.245 ( -0.292 4.756 -2.169) 5.235 9.469 ( -0.943 -0.277 7.372) 7.438 9.674 ( -1.003 -0.751 -5.100) 5.251 9.973 ( -2.037 -11.287 -5.638) 12.781 10.210 ( 0.590 0.775 -2.143) 2.354 10.293 ( 5.451 6.768 -3.590) 9.402 10.525 ( -3.726 -7.275 10.786) 13.533 10.593 ( 15.223 4.147 -3.362) 16.132 10.698 ( 9.520 0.749 -10.556) 14.235 10.849 ( 6.749 -5.566 9.198) 12.694 11.573 ( -4.887 0.022 6.712) 8.303 11.655 ( -5.041 -2.057 -1.573) 5.667 11.694 ( -13.040 -6.775 6.830) 16.205 11.887 ( 10.102 -9.743 10.407) 17.472 12.553 ( 8.110 0.606 -2.522) 8.515 12.618 ( 4.054 -3.715 -1.900) 5.818 13.246 ( -2.541 3.377 -4.847) 6.431 13.345 ( -5.244 -1.797 -1.694) 5.796 13.512 ( -1.908 18.842 -0.850) 18.958 13.958 ( 0.561 -1.336 1.526) 2.104 13.987 ( -0.261 4.780 3.421) 5.884 14.252 ( -2.892 -3.530 0.735) 4.622 14.464 ( 1.749 0.241 -2.386) 2.968 14.547 ( -2.005 -1.515 -2.500) 3.545 14.955 ( -3.662 0.117 -2.472) 4.420 14.974 ( 1.787 0.806 -3.965) 4.423 15.310 ( -0.525 7.387 -8.201) 11.050 15.640 ( -3.125 -6.829 2.040) 7.782 16.171 ( -5.584 8.392 3.797) 10.771 16.551 ( -4.257 -7.787 5.438) 10.409 22.301 ( 0.345 5.988 0.208) 6.002 22.553 ( 0.206 -5.184 1.545) 5.413 22.853 ( -5.892 8.161 -0.924) 10.108 23.170 ( -10.252 -6.569 -5.195) 13.238 23.964 ( -1.664 -0.164 -1.772) 2.436 23.985 ( -1.852 -1.089 -0.797) 2.291 24.255 ( 5.611 0.702 1.943) 5.979 24.270 ( 5.298 0.166 0.697) 5.346 24.870 ( -0.584 2.202 -1.365) 2.656 24.957 ( 3.481 -1.865 6.286) 7.424 25.362 ( 0.524 2.470 -3.683) 4.465 25.493 ( 2.938 -3.885 -1.001) 4.972 25.935 ( 9.732 8.578 -1.495) 13.058 26.028 ( 3.976 4.991 -0.493) 6.400 26.343 ( -1.407 -1.737 1.113) 2.497 26.607 ( 4.237 -13.495 1.314) 14.206 ======================= Grid point 26 (17/136) ======================= q-point: ( 0.36 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 2.104 18.648 4.565) 19.314 2.500 ( -5.272 0.119 -9.666) 11.011 2.751 ( 15.561 10.098 1.344) 18.598 3.183 ( 2.249 0.455 0.977) 2.494 3.366 ( 1.022 -4.405 5.440) 7.074 3.464 ( 0.552 -19.164 -3.481) 19.486 3.629 ( 5.235 4.211 -5.511) 8.689 3.936 ( -3.037 -6.155 -4.863) 8.412 4.504 ( -5.636 3.915 -9.086) 11.387 4.667 ( 8.395 -4.901 3.140) 10.216 4.720 ( -5.104 9.228 -5.714) 11.993 4.961 ( 14.026 3.897 4.431) 15.217 5.099 ( 6.481 -0.057 8.743) 10.883 5.327 ( -6.355 -8.424 -1.001) 10.599 5.627 ( 17.692 6.175 0.453) 18.744 5.631 ( 6.392 7.846 -7.260) 12.455 5.704 ( -2.240 2.948 -3.923) 5.394 5.909 ( 26.788 6.423 -0.487) 27.552 5.937 ( 8.040 -0.573 2.121) 8.334 6.192 ( 16.831 -3.876 0.584) 17.281 6.314 ( 5.332 -1.087 -2.040) 5.811 6.587 ( -4.295 -11.085 9.632) 15.300 6.963 ( -4.293 3.808 -4.257) 7.145 7.302 ( -6.399 -9.839 -4.232) 12.476 7.578 ( -6.204 6.974 3.772) 10.068 7.719 ( -0.944 0.054 0.885) 1.295 7.928 ( -7.246 0.064 4.391) 8.472 8.064 ( -6.903 -4.170 -2.293) 8.385 8.126 ( -1.320 5.342 -0.687) 5.546 8.362 ( -2.717 -5.993 1.547) 6.760 8.761 ( -5.825 9.725 -3.560) 11.882 8.940 ( -8.536 5.609 -0.929) 10.256 9.209 ( -0.271 5.902 -1.759) 6.164 9.525 ( -1.414 2.294 1.906) 3.301 9.705 ( 0.036 -16.257 6.237) 17.412 9.918 ( 6.070 -8.568 -4.217) 11.315 10.236 ( 3.404 -0.936 -0.312) 3.544 10.361 ( 6.961 9.572 -3.454) 12.330 10.459 ( -9.581 -8.233 6.880) 14.384 10.727 ( 5.105 1.556 -5.669) 7.786 10.888 ( 15.505 1.652 -1.855) 15.703 11.082 ( 9.583 -7.217 2.777) 12.313 11.388 ( -14.440 -5.830 1.451) 15.640 11.519 ( -13.916 -4.986 7.159) 16.425 11.661 ( -0.631 5.297 7.463) 9.174 12.162 ( 8.843 -12.405 9.703) 18.062 12.606 ( 4.745 8.501 -9.380) 13.519 12.778 ( 13.684 -1.337 -0.932) 13.780 13.137 ( -7.840 1.379 -3.664) 8.763 13.212 ( -2.642 1.723 -1.947) 3.707 13.529 ( 2.197 16.430 1.886) 16.683 13.952 ( -7.038 5.317 6.300) 10.839 14.011 ( 1.383 -1.383 -0.552) 2.032 14.150 ( -6.625 -1.538 -1.364) 6.937 14.379 ( -6.739 2.141 -8.172) 10.806 14.507 ( 1.581 -5.226 -1.291) 5.611 14.881 ( -0.829 2.474 -2.466) 3.590 15.004 ( 3.388 -1.219 -0.565) 3.645 15.253 ( 0.957 6.135 -5.599) 8.361 15.616 ( -1.199 -8.892 0.897) 9.017 16.131 ( -3.804 8.644 4.012) 10.260 16.534 ( -3.749 -9.421 4.709) 11.180 22.310 ( 0.471 6.251 0.263) 6.274 22.579 ( 1.040 -5.387 1.561) 5.704 22.768 ( -3.562 3.834 -0.412) 5.249 22.968 ( -7.704 -4.807 -3.872) 9.872 23.911 ( -1.850 0.286 -2.001) 2.740 23.936 ( -1.967 -0.865 -1.657) 2.713 24.367 ( 4.963 0.054 2.010) 5.355 24.392 ( 5.871 -1.193 2.760) 6.596 24.850 ( -0.757 4.339 0.261) 4.413 25.030 ( -1.636 -3.780 3.469) 5.385 25.362 ( 2.796 1.443 -0.795) 3.245 25.514 ( 1.976 -5.485 -3.223) 6.662 26.066 ( 5.471 7.036 -0.290) 8.918 26.092 ( 4.727 7.014 -0.519) 8.474 26.336 ( -0.437 0.464 0.686) 0.937 26.662 ( 1.808 -10.874 0.001) 11.023 ======================= Grid point 27 (18/136) ======================= q-point: ( 0.45 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 1.160 17.330 2.534) 17.553 2.322 ( -3.594 11.126 -6.146) 13.209 2.882 ( 2.623 -9.043 -0.981) 9.467 3.298 ( -2.451 -15.624 -2.171) 15.964 3.345 ( 6.744 10.193 4.230) 12.934 3.592 ( 5.580 -3.804 4.025) 7.862 3.691 ( 4.324 -1.370 0.216) 4.541 3.836 ( -3.116 -5.079 -2.866) 6.612 4.219 ( -10.703 14.408 -6.935) 19.242 4.585 ( -2.562 0.553 -4.048) 4.822 4.816 ( 5.371 -6.689 4.185) 9.545 5.037 ( -7.219 -10.966 -4.173) 13.776 5.293 ( 6.674 0.931 8.756) 11.049 5.360 ( 6.411 -4.825 4.673) 9.285 5.493 ( -2.387 10.098 -8.150) 13.194 5.695 ( 1.074 12.214 2.121) 12.443 5.849 ( -7.967 1.972 -1.237) 8.300 5.967 ( 9.579 8.366 -3.015) 13.070 6.366 ( 15.034 2.552 0.392) 15.254 6.389 ( 6.004 -1.326 0.419) 6.162 6.497 ( 15.739 -5.310 -4.951) 17.333 6.605 ( -5.223 -11.938 8.449) 15.529 6.920 ( 0.054 5.377 -1.917) 5.709 7.205 ( 1.853 -7.490 -4.815) 9.095 7.554 ( -3.370 3.470 5.629) 7.422 7.718 ( -2.475 -3.845 4.898) 6.701 7.813 ( -5.226 -0.611 0.637) 5.299 7.885 ( -6.764 -1.862 -6.178) 9.348 8.154 ( 3.538 10.233 1.344) 10.911 8.312 ( -4.777 0.584 -0.438) 4.832 8.626 ( -3.008 3.303 -2.400) 5.071 8.829 ( -3.431 4.455 -0.621) 5.657 9.196 ( -0.130 6.750 -0.444) 6.765 9.547 ( 3.489 -2.610 0.469) 4.382 9.646 ( -6.581 -10.408 -0.299) 12.318 10.107 ( 9.560 -15.828 3.978) 18.914 10.294 ( 3.144 -3.125 -0.814) 4.507 10.351 ( -7.324 -3.333 1.932) 8.275 10.443 ( 3.348 8.654 -1.055) 9.339 10.752 ( 2.813 2.161 -2.979) 4.633 11.022 ( 1.020 0.643 1.026) 1.583 11.145 ( -4.163 -3.631 0.179) 5.527 11.264 ( 6.118 -9.546 -6.708) 13.174 11.387 ( -9.748 -13.153 7.775) 18.124 11.770 ( 2.283 14.709 6.863) 16.391 12.370 ( 5.095 -12.884 5.792) 15.016 12.544 ( -0.192 11.811 -6.938) 13.699 12.932 ( -2.091 -5.906 -4.222) 7.555 13.006 ( 4.647 7.834 0.276) 9.113 13.200 ( 0.143 6.245 -0.186) 6.250 13.616 ( 3.692 10.306 2.944) 11.336 13.874 ( -4.138 4.587 4.007) 7.363 13.980 ( -6.869 -0.706 -2.810) 7.456 14.049 ( -1.472 -2.845 -0.205) 3.209 14.215 ( -1.588 6.098 -5.246) 8.199 14.520 ( 0.684 -7.788 -0.413) 7.828 14.864 ( 0.126 2.715 -0.700) 2.807 15.060 ( 2.397 -4.859 0.446) 5.436 15.215 ( -0.586 9.100 -2.259) 9.395 15.613 ( -0.077 -8.928 0.211) 8.930 16.117 ( -1.311 8.363 1.579) 8.611 16.520 ( -1.612 -10.107 1.822) 10.396 22.319 ( 0.235 6.533 0.134) 6.539 22.616 ( 1.331 -6.589 1.076) 6.808 22.718 ( -1.799 2.177 -0.474) 2.864 22.844 ( -3.150 -3.210 -1.564) 4.761 23.873 ( -0.758 0.335 -0.797) 1.150 23.898 ( -0.792 -0.817 -0.780) 1.380 24.457 ( 2.819 -0.870 1.932) 3.527 24.481 ( 1.889 -2.321 0.168) 2.997 24.866 ( 1.219 5.116 2.158) 5.684 24.983 ( -3.450 0.261 -1.523) 3.780 25.429 ( 2.338 -3.303 3.553) 5.385 25.493 ( -0.031 -5.441 -4.231) 6.892 26.114 ( 1.382 5.636 -0.192) 5.806 26.162 ( 2.459 7.582 -0.037) 7.971 26.339 ( 0.049 1.884 0.236) 1.900 26.679 ( 0.460 -9.149 -0.121) 9.162 ======================= Grid point 33 (19/136) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 0.000 -22.389 0.000) 22.389 1.720 ( 0.000 22.389 0.000) 22.389 1.972 ( 0.000 -29.575 0.000) 29.575 1.972 ( 0.000 29.575 0.000) 29.575 2.844 ( 0.000 -3.285 0.000) 3.285 2.844 ( 0.000 3.285 0.000) 3.285 3.550 ( 0.000 -26.118 0.000) 26.118 3.550 ( 0.000 26.118 0.000) 26.118 3.886 ( 0.000 -2.283 0.000) 2.283 3.886 ( 0.000 2.283 0.000) 2.283 4.369 ( 0.000 -1.434 0.000) 1.434 4.369 ( 0.000 1.434 0.000) 1.434 5.051 ( 0.000 -9.576 0.000) 9.576 5.051 ( 0.000 9.576 0.000) 9.576 5.470 ( 0.000 -5.242 0.000) 5.242 5.470 ( 0.000 5.242 0.000) 5.242 5.588 ( 0.000 -13.214 0.000) 13.214 5.588 ( 0.000 13.214 0.000) 13.214 6.068 ( 0.000 -0.472 0.000) 0.472 6.068 ( 0.000 0.472 0.000) 0.472 7.097 ( 0.000 -10.266 0.000) 10.266 7.097 ( 0.000 10.266 0.000) 10.266 7.435 ( 0.000 -3.685 0.000) 3.685 7.435 ( 0.000 3.685 0.000) 3.685 7.595 ( 0.000 -2.200 0.000) 2.200 7.595 ( 0.000 2.200 0.000) 2.200 8.203 ( 0.000 -7.288 0.000) 7.288 8.203 ( 0.000 7.288 0.000) 7.288 8.477 ( 0.000 -6.130 0.000) 6.130 8.477 ( 0.000 6.130 0.000) 6.130 8.770 ( 0.000 -1.869 0.000) 1.869 8.770 ( 0.000 1.869 0.000) 1.869 9.350 ( 0.000 -9.734 0.000) 9.734 9.350 ( 0.000 9.734 0.000) 9.734 9.806 ( 0.000 -1.294 0.000) 1.294 9.806 ( 0.000 1.294 0.000) 1.294 10.016 ( 0.000 -7.127 0.000) 7.127 10.016 ( 0.000 7.127 0.000) 7.127 10.373 ( 0.000 -6.425 0.000) 6.425 10.373 ( 0.000 6.425 0.000) 6.425 10.695 ( 0.000 -2.554 0.000) 2.554 10.695 ( 0.000 2.554 0.000) 2.554 11.226 ( 0.000 -4.530 0.000) 4.530 11.226 ( 0.000 4.530 0.000) 4.530 11.871 ( 0.000 -4.733 0.000) 4.733 11.871 ( 0.000 4.733 0.000) 4.733 12.636 ( 0.000 -10.347 0.000) 10.347 12.636 ( 0.000 10.347 0.000) 10.347 13.395 ( 0.000 -0.124 0.000) 0.124 13.395 ( 0.000 0.124 0.000) 0.124 13.812 ( 0.000 -1.977 0.000) 1.977 13.812 ( 0.000 1.977 0.000) 1.977 14.013 ( 0.000 -2.100 0.000) 2.100 14.013 ( 0.000 2.100 0.000) 2.100 14.453 ( 0.000 -1.484 0.000) 1.484 14.453 ( 0.000 1.484 0.000) 1.484 15.071 ( 0.000 -2.989 0.000) 2.989 15.071 ( 0.000 2.989 0.000) 2.989 15.667 ( 0.000 -3.414 0.000) 3.414 15.667 ( 0.000 3.414 0.000) 3.414 16.627 ( 0.000 -10.499 0.000) 10.499 16.627 ( 0.000 10.499 0.000) 10.499 22.417 ( 0.000 -6.241 0.000) 6.241 22.417 ( 0.000 6.241 0.000) 6.241 23.624 ( 0.000 -5.483 0.000) 5.483 23.624 ( 0.000 5.483 0.000) 5.483 23.989 ( 0.000 -0.930 0.000) 0.930 23.989 ( 0.000 0.930 0.000) 0.930 24.183 ( 0.000 -2.535 0.000) 2.535 24.183 ( 0.000 2.535 0.000) 2.535 24.830 ( 0.000 -4.044 0.000) 4.044 24.830 ( 0.000 4.044 0.000) 4.044 25.262 ( 0.000 -1.298 0.000) 1.298 25.262 ( 0.000 1.298 0.000) 1.298 25.725 ( 0.000 -1.506 0.000) 1.506 25.725 ( 0.000 1.506 0.000) 1.506 26.246 ( 0.000 -7.584 0.000) 7.584 26.246 ( 0.000 7.584 0.000) 7.584 ======================= Grid point 35 (20/136) ======================= q-point: ( 0.09 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 22.862 -15.913 -3.309) 28.050 1.950 ( 22.862 15.913 -3.309) 28.050 2.033 ( 3.598 -24.757 7.877) 26.228 2.033 ( 3.598 24.757 7.877) 26.228 3.043 ( 21.599 -4.452 1.558) 22.108 3.043 ( 21.599 4.452 1.558) 22.108 3.663 ( 11.109 -22.099 1.839) 24.802 3.663 ( 11.109 22.099 1.839) 24.802 3.860 ( 0.649 -5.323 -6.740) 8.613 3.860 ( 0.649 5.323 -6.740) 8.613 4.370 ( 3.134 -4.559 -3.256) 6.419 4.370 ( 3.134 4.559 -3.256) 6.419 5.095 ( 3.185 -9.448 3.018) 10.417 5.095 ( 3.185 9.448 3.018) 10.417 5.392 ( -7.118 -7.066 -3.501) 10.623 5.392 ( -7.118 7.066 -3.501) 10.623 5.564 ( 1.734 -15.012 -1.953) 15.237 5.564 ( 1.734 15.012 -1.953) 15.237 6.100 ( -0.788 -5.103 3.792) 6.406 6.100 ( -0.788 5.103 3.792) 6.406 6.912 ( -16.202 -11.074 -6.480) 20.667 6.912 ( -16.202 11.074 -6.480) 20.667 7.454 ( 5.666 -3.052 0.872) 6.494 7.454 ( 5.666 3.052 0.872) 6.494 7.678 ( 0.554 -2.215 5.534) 5.987 7.678 ( 0.554 2.215 5.534) 5.987 8.194 ( -2.184 -3.153 0.093) 3.836 8.194 ( -2.184 3.153 0.093) 3.836 8.356 ( -10.119 -5.895 0.085) 11.711 8.356 ( -10.119 5.895 0.085) 11.711 8.811 ( 2.858 -8.585 1.940) 9.253 8.811 ( 2.858 8.585 1.940) 9.253 9.370 ( 1.754 -9.971 0.870) 10.161 9.370 ( 1.754 9.971 0.870) 10.161 9.867 ( 5.384 -5.786 0.737) 7.938 9.867 ( 5.384 5.786 0.737) 7.938 10.123 ( 10.512 -6.176 -2.725) 12.493 10.123 ( 10.512 6.176 -2.725) 12.493 10.398 ( 1.525 -4.049 0.387) 4.344 10.398 ( 1.525 4.049 0.387) 4.344 10.655 ( -4.017 -5.198 2.003) 6.868 10.655 ( -4.017 5.198 2.003) 6.868 11.265 ( 6.969 -4.374 -2.375) 8.564 11.265 ( 6.969 4.374 -2.375) 8.564 11.867 ( -3.783 -4.621 4.762) 7.638 11.867 ( -3.783 4.621 4.762) 7.638 12.583 ( -4.993 -9.128 -0.365) 10.411 12.583 ( -4.993 9.128 -0.365) 10.411 13.394 ( -0.156 -0.982 0.044) 0.995 13.394 ( -0.156 0.982 0.044) 0.995 13.821 ( 0.926 -4.817 -0.874) 4.982 13.821 ( 0.926 4.817 -0.874) 4.982 14.035 ( 2.528 -4.898 0.212) 5.516 14.035 ( 2.528 4.898 0.212) 5.516 14.469 ( 2.048 -1.721 -0.539) 2.729 14.469 ( 2.048 1.721 -0.539) 2.729 15.048 ( -2.129 -3.030 -0.284) 3.714 15.048 ( -2.129 3.030 -0.284) 3.714 15.657 ( -2.512 -2.544 1.287) 3.800 15.657 ( -2.512 2.544 1.287) 3.800 16.556 ( -5.897 -9.147 -2.180) 11.100 16.556 ( -5.897 9.147 -2.180) 11.100 22.418 ( -0.226 -6.307 0.513) 6.332 22.418 ( -0.226 6.307 0.513) 6.332 23.492 ( -11.082 -8.167 -4.567) 14.504 23.492 ( -11.082 8.167 -4.567) 14.504 23.976 ( -0.391 -0.325 0.193) 0.544 23.976 ( -0.391 0.325 0.193) 0.544 24.177 ( 0.243 -2.126 -0.449) 2.187 24.177 ( 0.243 2.126 -0.449) 2.187 24.855 ( 3.231 -5.379 -2.330) 6.693 24.855 ( 3.231 5.379 -2.330) 6.693 25.340 ( 4.300 -1.327 3.378) 5.626 25.340 ( 4.300 1.327 3.378) 5.626 25.781 ( 7.907 -4.209 -1.992) 9.176 25.781 ( 7.907 4.209 -1.992) 9.176 26.264 ( -0.010 -5.592 3.457) 6.575 26.264 ( -0.010 5.592 3.457) 6.575 ======================= Grid point 37 (21/136) ======================= q-point: ( 0.18 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 6.963 -24.422 -0.889) 25.411 2.129 ( 6.963 24.422 -0.889) 25.411 2.384 ( 17.674 -17.212 10.187) 26.691 2.384 ( 17.674 17.212 10.187) 26.691 3.512 ( 24.901 -3.107 -3.113) 25.286 3.512 ( 24.901 3.107 -3.113) 25.286 3.764 ( 1.000 -6.907 -10.915) 12.955 3.764 ( 1.000 6.907 -10.915) 12.955 3.906 ( 15.060 -11.974 2.393) 19.388 3.906 ( 15.060 11.974 2.393) 19.388 4.488 ( 14.873 -7.600 -1.839) 16.803 4.488 ( 14.873 7.600 -1.839) 16.803 5.199 ( 4.492 -12.111 0.837) 12.944 5.199 ( 4.492 12.111 0.837) 12.944 5.280 ( 2.811 -2.677 -2.318) 4.521 5.280 ( 2.811 2.677 -2.318) 4.521 5.605 ( 1.665 -8.293 2.943) 8.956 5.605 ( 1.665 8.293 2.943) 8.956 6.054 ( -7.015 -11.979 -2.291) 14.069 6.054 ( -7.015 11.979 -2.291) 14.069 6.561 ( -15.005 -10.513 -2.894) 18.548 6.561 ( -15.005 10.513 -2.894) 18.548 7.491 ( -7.055 -2.958 0.045) 7.650 7.491 ( -7.055 2.958 0.045) 7.650 7.729 ( 3.552 -3.002 1.786) 4.982 7.729 ( 3.552 3.002 1.786) 4.982 8.119 ( -8.634 -2.393 4.442) 10.000 8.119 ( -8.634 2.393 4.442) 10.000 8.246 ( -1.901 -6.706 0.316) 6.978 8.246 ( -1.901 6.706 0.316) 6.978 8.901 ( 4.712 -11.150 3.379) 12.568 8.901 ( 4.712 11.150 3.379) 12.568 9.404 ( 1.090 -9.193 -1.052) 9.317 9.404 ( 1.090 9.193 -1.052) 9.317 9.902 ( -2.962 -7.827 -3.209) 8.963 9.902 ( -2.962 7.827 -3.209) 8.963 10.247 ( 7.113 -4.726 -3.662) 9.291 10.247 ( 7.113 4.726 -3.662) 9.291 10.420 ( 4.503 -9.427 0.899) 10.486 10.420 ( 4.503 9.427 0.899) 10.486 10.660 ( 1.646 -3.795 1.011) 4.258 10.660 ( 1.646 3.795 1.011) 4.258 11.433 ( 10.692 -1.011 4.120) 11.503 11.433 ( 10.692 1.011 4.120) 11.503 11.812 ( -9.262 -2.092 5.285) 10.867 11.812 ( -9.262 2.092 5.285) 10.867 12.512 ( -0.845 -5.315 -0.983) 5.470 12.512 ( -0.845 5.315 -0.983) 5.470 13.379 ( -1.110 -1.621 -1.943) 2.762 13.379 ( -1.110 1.621 -1.943) 2.762 13.818 ( 0.204 -7.850 -0.831) 7.897 13.818 ( 0.204 7.850 -0.831) 7.897 14.093 ( 2.316 -7.388 1.753) 7.939 14.093 ( 2.316 7.388 1.753) 7.939 14.502 ( 2.087 -2.554 -0.791) 3.392 14.502 ( 2.087 2.554 -0.791) 3.392 15.006 ( -1.785 -2.320 -1.191) 3.160 15.006 ( -1.785 2.320 -1.191) 3.160 15.589 ( -5.567 -5.379 -1.020) 7.808 15.589 ( -5.567 5.379 -1.020) 7.808 16.435 ( -6.123 -9.144 0.538) 11.018 16.435 ( -6.123 9.144 0.538) 11.018 22.421 ( -0.250 -6.447 0.967) 6.524 22.421 ( -0.250 6.447 0.967) 6.524 23.238 ( -11.598 -10.030 -4.819) 16.073 23.238 ( -11.598 10.030 -4.819) 16.073 23.983 ( 0.030 -0.374 0.573) 0.685 23.983 ( 0.030 0.374 0.573) 0.685 24.195 ( 2.832 -1.131 -0.685) 3.125 24.195 ( 2.832 1.131 -0.685) 3.125 24.883 ( 1.837 -1.759 -0.238) 2.554 24.883 ( 1.837 1.759 -0.238) 2.554 25.409 ( 1.929 -1.174 -0.249) 2.272 25.409 ( 1.929 1.174 -0.249) 2.272 25.931 ( 10.847 -6.261 -2.453) 12.762 25.931 ( 10.847 6.261 -2.453) 12.762 26.312 ( 0.839 -2.367 4.581) 5.224 26.312 ( 0.839 2.367 4.581) 5.224 ======================= Grid point 39 (22/136) ======================= q-point: ( 0.27 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 3.300 -22.171 0.200) 22.416 2.212 ( 3.300 22.171 0.200) 22.416 2.775 ( 16.055 -16.883 10.546) 25.574 2.775 ( 16.055 16.883 10.546) 25.574 3.459 ( -6.587 -6.851 -14.572) 17.398 3.459 ( -6.587 6.851 -14.572) 17.398 3.796 ( 3.518 -11.965 -4.607) 13.295 3.796 ( 3.518 11.965 -4.607) 13.295 4.346 ( 25.386 -4.396 3.095) 25.949 4.346 ( 25.386 4.396 3.095) 25.949 4.731 ( 11.558 -3.012 0.325) 11.949 4.731 ( 11.558 3.012 0.325) 11.949 5.274 ( 3.435 -7.417 -1.811) 8.372 5.274 ( 3.435 7.417 -1.811) 8.372 5.465 ( 16.038 -7.247 -1.515) 17.664 5.465 ( 16.038 7.247 -1.515) 17.664 5.667 ( 4.636 -4.279 2.315) 6.720 5.667 ( 4.636 4.279 2.315) 6.720 5.874 ( -1.242 -11.313 -6.190) 12.956 5.874 ( -1.242 11.313 -6.190) 12.956 6.408 ( -6.739 -8.168 5.819) 12.083 6.408 ( -6.739 8.168 5.819) 12.083 7.282 ( -11.615 -8.221 -3.719) 14.708 7.282 ( -11.615 8.221 -3.719) 14.708 7.771 ( -1.059 -2.952 -0.931) 3.272 7.771 ( -1.059 2.952 -0.931) 3.272 8.027 ( -7.241 -6.080 6.368) 11.400 8.027 ( -7.241 6.080 6.368) 11.400 8.249 ( 0.305 -5.417 -0.608) 5.459 8.249 ( 0.305 5.417 -0.608) 5.459 9.012 ( 1.320 -9.730 3.601) 10.459 9.012 ( 1.320 9.730 3.601) 10.459 9.378 ( -1.206 -7.418 -0.529) 7.534 9.378 ( -1.206 7.418 -0.529) 7.534 9.752 ( -6.060 -8.838 -5.027) 11.837 9.752 ( -6.060 8.838 -5.027) 11.837 10.280 ( 2.157 -6.081 -3.205) 7.205 10.280 ( 2.157 6.081 -3.205) 7.205 10.585 ( 5.527 -8.062 3.202) 10.286 10.585 ( 5.527 8.062 3.202) 10.286 10.728 ( 10.932 -4.162 -2.640) 11.992 10.728 ( 10.932 4.162 -2.640) 11.992 11.600 ( -9.348 -1.840 6.952) 11.794 11.600 ( -9.348 1.840 6.952) 11.794 11.708 ( 0.509 -6.425 8.065) 10.324 11.708 ( 0.509 6.425 8.065) 10.324 12.568 ( 9.800 -1.479 -3.299) 10.446 12.568 ( 9.800 1.479 -3.299) 10.446 13.302 ( -4.241 -2.558 -4.393) 6.620 13.302 ( -4.241 2.558 -4.393) 6.620 13.828 ( 1.160 -11.145 0.452) 11.215 13.828 ( 1.160 11.145 0.452) 11.215 14.125 ( -2.027 -7.628 3.575) 8.664 14.125 ( -2.027 7.628 3.575) 8.664 14.501 ( -1.180 -2.718 -2.237) 3.713 14.501 ( -1.180 2.718 -2.237) 3.713 14.966 ( -0.145 -0.987 -3.162) 3.316 14.966 ( -0.145 0.987 -3.162) 3.316 15.479 ( -4.003 -8.838 -2.371) 9.988 15.479 ( -4.003 8.838 -2.371) 9.988 16.365 ( -4.990 -10.274 3.798) 12.037 16.365 ( -4.990 10.274 3.798) 12.037 22.430 ( 0.062 -6.693 1.246) 6.808 22.430 ( 0.062 6.693 1.246) 6.808 23.021 ( -8.763 -8.204 -3.668) 12.552 23.021 ( -8.763 8.204 -3.668) 12.552 23.968 ( -1.537 -0.558 -1.129) 1.987 23.968 ( -1.537 0.558 -1.129) 1.987 24.267 ( 5.171 -0.423 1.030) 5.290 24.267 ( 5.171 0.423 1.030) 5.290 24.915 ( 0.620 -2.282 2.178) 3.215 24.915 ( 0.620 2.282 2.178) 3.215 25.420 ( 1.641 -3.336 -2.701) 4.596 25.420 ( 1.641 3.336 -2.701) 4.596 26.069 ( 7.538 -2.670 -1.742) 8.185 26.069 ( 7.538 2.670 -1.742) 8.185 26.378 ( 2.224 -7.369 3.035) 8.274 26.378 ( 2.224 7.369 3.035) 8.274 ======================= Grid point 41 (23/136) ======================= q-point: ( 0.36 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 1.268 -18.945 0.881) 19.008 2.254 ( 1.268 18.945 0.881) 19.008 3.062 ( 4.200 -18.169 -4.950) 19.294 3.062 ( 4.200 18.169 -4.950) 19.294 3.280 ( 3.205 -4.296 3.530) 6.417 3.280 ( 3.205 4.296 3.530) 6.417 3.775 ( 0.911 -9.193 -5.382) 10.691 3.775 ( 0.911 9.193 -5.382) 10.691 4.573 ( 1.535 -3.561 -1.842) 4.293 4.573 ( 1.535 3.561 -1.842) 4.293 4.934 ( 3.719 -7.731 1.674) 8.741 4.934 ( 3.719 7.731 1.674) 8.741 5.140 ( -3.890 -6.468 -0.695) 7.579 5.140 ( -3.890 6.468 -0.695) 7.579 5.692 ( 5.808 -0.568 -1.654) 6.065 5.692 ( 5.808 0.568 -1.654) 6.065 5.844 ( 16.911 -7.505 -3.811) 18.890 5.844 ( 16.911 7.505 -3.811) 18.890 6.083 ( 23.609 -7.946 0.556) 24.916 6.083 ( 23.609 7.946 0.556) 24.916 6.379 ( -4.522 -7.912 6.500) 11.194 6.379 ( -4.522 7.912 6.500) 11.194 7.092 ( -4.318 -9.433 -5.159) 11.586 7.092 ( -4.318 9.433 -5.159) 11.586 7.697 ( -6.935 -3.840 3.112) 8.516 7.697 ( -6.935 3.840 3.112) 8.516 7.969 ( -6.418 -4.354 1.516) 7.902 7.969 ( -6.418 4.354 1.516) 7.902 8.240 ( 0.343 -5.998 0.376) 6.020 8.240 ( 0.343 5.998 0.376) 6.020 8.938 ( -7.822 -6.044 -3.786) 10.585 8.938 ( -7.822 6.044 -3.786) 10.585 9.395 ( -1.146 -13.213 2.666) 13.527 9.395 ( -1.146 13.213 2.666) 13.527 9.679 ( 2.245 -12.055 -0.746) 12.285 9.679 ( 2.245 12.055 -0.746) 12.285 10.278 ( -0.492 -5.496 0.467) 5.538 10.278 ( -0.492 5.496 0.467) 5.538 10.641 ( 4.874 -10.640 -4.293) 12.466 10.641 ( 4.874 10.640 -4.293) 12.466 10.945 ( 11.945 -4.847 -0.503) 12.901 10.945 ( 11.945 4.847 -0.503) 12.901 11.385 ( -17.129 -4.718 5.685) 18.654 11.385 ( -17.129 4.718 5.685) 18.654 11.890 ( 5.188 -13.839 11.266) 18.584 11.890 ( 5.188 13.839 11.266) 18.584 12.733 ( 12.156 -4.051 -6.045) 14.168 12.733 ( 12.156 4.051 -6.045) 14.168 13.173 ( -4.127 -2.502 -3.716) 6.091 13.173 ( -4.127 2.502 -3.716) 6.091 13.854 ( 0.329 -12.173 1.507) 12.270 13.854 ( 0.329 12.173 1.507) 12.270 14.084 ( -7.400 -4.639 4.092) 9.645 14.084 ( -7.400 4.639 4.092) 9.645 14.421 ( -2.437 -2.817 -5.326) 6.500 14.421 ( -2.437 2.817 -5.326) 6.500 14.945 ( 1.230 -3.658 -2.699) 4.710 14.945 ( 1.230 3.658 -2.699) 4.710 15.424 ( -0.513 -9.858 -1.279) 9.954 15.424 ( -0.513 9.858 -1.279) 9.954 16.329 ( -3.919 -10.666 3.838) 11.994 16.329 ( -3.919 10.666 3.838) 11.994 22.448 ( 0.485 -7.179 1.195) 7.294 22.448 ( 0.485 7.179 1.195) 7.294 22.865 ( -5.838 -5.332 -2.497) 8.292 22.865 ( -5.838 5.332 -2.497) 8.292 23.920 ( -1.834 -0.648 -1.794) 2.646 23.920 ( -1.834 0.648 -1.794) 2.646 24.374 ( 5.009 -0.644 1.811) 5.365 24.374 ( 5.009 0.644 1.811) 5.365 24.942 ( -0.556 -4.756 2.859) 5.577 24.942 ( -0.556 4.756 2.859) 5.577 25.418 ( 1.535 -3.991 -2.973) 5.208 25.418 ( 1.535 3.991 -2.973) 5.208 26.156 ( 4.182 -1.808 -0.680) 4.607 26.156 ( 4.182 1.808 -0.680) 4.607 26.441 ( 2.375 -10.080 1.206) 10.426 26.441 ( 2.375 10.080 1.206) 10.426 ======================= Grid point 43 (24/136) ======================= q-point: ( 0.45 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 0.469 -15.085 0.789) 15.113 2.278 ( 0.469 15.085 0.789) 15.113 2.942 ( -2.779 -15.872 -5.228) 16.940 2.942 ( -2.779 15.872 -5.228) 16.940 3.514 ( 7.814 -5.141 5.776) 10.993 3.514 ( 7.814 5.141 5.776) 10.993 3.741 ( 0.070 -4.353 -2.346) 4.945 3.741 ( 0.070 4.353 -2.346) 4.945 4.495 ( -4.844 -10.977 -2.232) 12.204 4.495 ( -4.844 10.977 -2.232) 12.204 4.815 ( -3.887 -7.569 -3.104) 9.057 4.815 ( -3.887 7.569 -3.104) 9.057 5.292 ( 5.854 -1.180 5.297) 7.982 5.292 ( 5.854 1.180 5.297) 7.982 5.692 ( -1.142 -7.822 -0.851) 7.951 5.692 ( -1.142 7.822 -0.851) 7.951 6.033 ( 6.810 -7.331 -3.609) 10.637 6.033 ( 6.810 7.331 -3.609) 10.637 6.379 ( 0.837 -5.188 0.483) 5.277 6.379 ( 0.837 5.188 0.483) 5.277 6.426 ( 9.589 -3.751 2.630) 10.627 6.426 ( 9.589 3.752 2.630) 10.627 7.053 ( 3.789 -7.545 -3.415) 9.107 7.053 ( 3.789 7.545 -3.415) 9.107 7.633 ( -5.176 -4.322 5.243) 8.542 7.633 ( -5.176 4.322 5.243) 8.542 7.841 ( -5.346 -2.443 -2.212) 6.281 7.841 ( -5.346 2.443 -2.212) 6.281 8.283 ( 2.057 -3.720 1.672) 4.568 8.283 ( 2.057 3.720 1.672) 4.568 8.771 ( -5.028 -8.720 -3.379) 10.617 8.771 ( -5.028 8.720 -3.379) 10.617 9.367 ( -1.800 -10.950 -0.095) 11.097 9.367 ( -1.800 10.950 -0.095) 11.097 9.752 ( 2.728 -15.543 1.472) 15.849 9.752 ( 2.728 15.543 1.472) 15.849 10.279 ( -0.402 -1.775 1.039) 2.096 10.279 ( -0.403 1.775 1.039) 2.096 10.686 ( 3.867 -9.521 -2.844) 10.663 10.686 ( 3.867 9.521 -2.844) 10.663 11.071 ( 4.486 -4.543 -2.457) 6.841 11.071 ( 4.486 4.543 -2.457) 6.841 11.196 ( -9.245 -4.815 4.497) 11.352 11.196 ( -9.245 4.815 4.497) 11.352 12.079 ( 4.134 -15.589 6.911) 17.546 12.079 ( 4.134 15.589 6.911) 17.546 12.765 ( 0.158 -9.977 -5.940) 11.612 12.765 ( 0.158 9.977 -5.940) 11.612 13.163 ( 3.583 -6.474 -0.206) 7.402 13.163 ( 3.583 6.474 -0.206) 7.402 13.858 ( -2.212 -8.810 2.378) 9.389 13.858 ( -2.212 8.810 2.378) 9.389 13.986 ( -4.248 -2.820 -0.068) 5.099 13.986 ( -4.248 2.820 -0.068) 5.099 14.354 ( -0.412 -8.028 -2.621) 8.455 14.354 ( -0.412 8.028 -2.621) 8.455 14.947 ( 0.702 -5.423 -0.828) 5.531 14.947 ( 0.702 5.423 -0.828) 5.531 15.418 ( 0.252 -10.387 -0.364) 10.397 15.418 ( 0.252 10.387 -0.364) 10.397 16.308 ( -1.564 -10.574 1.536) 10.799 16.308 ( -1.564 10.574 1.536) 10.799 22.466 ( 0.384 -7.857 0.563) 7.887 22.466 ( 0.384 7.857 0.563) 7.887 22.776 ( -2.213 -3.351 -0.979) 4.134 22.776 ( -2.213 3.351 -0.979) 4.134 23.883 ( -0.770 -0.652 -0.801) 1.288 23.883 ( -0.770 0.652 -0.801) 1.288 24.453 ( 2.163 -0.553 0.833) 2.383 24.453 ( 2.163 0.553 0.833) 2.383 24.953 ( -0.556 -3.268 1.318) 3.567 24.953 ( -0.556 3.268 1.318) 3.567 25.415 ( 0.613 -1.985 -1.300) 2.450 25.415 ( 0.613 1.985 -1.300) 2.450 26.200 ( 1.421 -2.567 -0.146) 2.937 26.200 ( 1.421 2.567 -0.146) 2.937 26.478 ( 0.975 -10.314 0.280) 10.363 26.478 ( 0.975 10.314 0.280) 10.363 ======================= Grid point 77 (25/136) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 28.995 0.000 28.621) 40.742 0.725 ( -4.059 0.000 33.410) 33.655 1.106 ( -11.886 0.000 50.397) 51.779 2.547 ( -5.082 0.000 -10.985) 12.104 3.063 ( 3.947 0.000 3.412) 5.217 3.063 ( 2.897 0.000 -15.867) 16.129 3.435 ( -5.368 0.000 3.308) 6.305 3.757 ( -1.156 0.000 -2.894) 3.116 3.774 ( -1.858 0.000 -6.180) 6.453 4.031 ( -4.613 0.000 0.599) 4.651 4.168 ( -4.109 0.000 1.078) 4.248 4.500 ( -0.971 0.000 -8.544) 8.599 4.544 ( 3.779 0.000 7.130) 8.070 4.974 ( 5.936 0.000 3.237) 6.761 5.098 ( -0.702 0.000 11.166) 11.188 5.251 ( -0.411 0.000 -4.189) 4.209 5.816 ( -8.872 0.000 -9.728) 13.166 6.141 ( -3.774 0.000 -5.325) 6.527 6.322 ( 1.494 0.000 -9.836) 9.948 6.444 ( 6.089 0.000 -10.657) 12.273 6.844 ( -11.398 0.000 9.400) 14.774 7.065 ( 6.868 0.000 9.341) 11.594 7.288 ( -8.971 0.000 -5.660) 10.607 7.496 ( 5.200 0.000 -3.977) 6.546 7.659 ( 12.292 0.000 9.682) 15.648 7.755 ( 7.837 0.000 10.507) 13.108 7.919 ( -4.171 0.000 4.544) 6.168 8.161 ( 8.555 0.000 -11.011) 13.943 8.547 ( -1.881 0.000 1.653) 2.504 8.762 ( 1.956 0.000 1.095) 2.241 8.878 ( -5.594 0.000 3.196) 6.443 9.149 ( -0.145 0.000 -1.788) 1.793 9.289 ( -28.565 0.000 -3.677) 28.801 9.308 ( 16.342 0.000 -8.567) 18.451 9.659 ( 2.540 0.000 3.289) 4.156 9.843 ( -22.245 0.000 -4.514) 22.698 9.855 ( 1.195 0.000 1.230) 1.715 10.126 ( 9.469 0.000 6.519) 11.496 10.359 ( -19.402 0.000 6.785) 20.555 10.592 ( 9.998 0.000 0.865) 10.035 10.639 ( -1.254 0.000 -10.826) 10.899 10.908 ( 61.060 0.000 -4.241) 61.207 11.295 ( 27.276 0.000 8.523) 28.577 11.734 ( -8.204 0.000 -1.001) 8.265 11.831 ( 2.021 0.000 0.822) 2.182 11.985 ( -5.413 0.000 0.145) 5.415 12.236 ( 34.363 0.000 3.086) 34.502 12.790 ( 11.925 0.000 -6.571) 13.616 12.985 ( -11.346 0.000 2.948) 11.723 13.318 ( -4.134 0.000 2.668) 4.920 13.653 ( 0.464 0.000 -4.028) 4.054 13.730 ( -2.548 0.000 0.503) 2.597 13.992 ( 8.181 0.000 -1.879) 8.394 14.225 ( 0.722 0.000 -0.816) 1.090 14.394 ( -10.631 0.000 7.807) 13.190 14.647 ( 0.581 0.000 -10.167) 10.184 14.708 ( -7.321 0.000 -7.731) 10.647 15.271 ( -21.556 0.000 13.277) 25.317 15.284 ( -1.395 0.000 1.141) 1.802 15.549 ( 6.878 0.000 3.762) 7.840 16.510 ( 4.037 0.000 2.482) 4.739 17.250 ( -50.952 0.000 -6.758) 51.398 22.187 ( -2.054 0.000 2.084) 2.926 22.469 ( 1.958 0.000 -1.860) 2.701 22.963 ( -10.112 0.000 3.572) 10.724 23.739 ( 1.368 0.000 -10.960) 11.045 23.963 ( -1.809 0.000 0.187) 1.819 24.009 ( 0.065 0.000 -0.693) 0.696 24.186 ( -17.548 0.000 1.286) 17.595 24.226 ( -4.103 0.000 6.651) 7.814 24.347 ( 6.287 0.000 1.958) 6.585 24.962 ( -7.332 0.000 -3.398) 8.081 25.286 ( 3.087 0.000 1.161) 3.298 25.438 ( -0.873 0.000 -1.098) 1.403 25.682 ( -3.784 0.000 -0.825) 3.873 25.724 ( 7.370 0.000 -4.230) 8.498 26.455 ( 28.777 0.000 4.469) 29.122 26.561 ( -1.532 0.000 1.394) 2.071 ======================= Grid point 78 (26/136) ======================= q-point: ( 0.09 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 10.837 0.000 28.320) 30.323 1.234 ( 1.865 0.000 37.395) 37.441 1.907 ( 48.684 0.000 30.474) 57.436 2.552 ( 18.781 0.000 -19.266) 26.906 3.010 ( 10.798 0.000 -19.947) 22.682 3.366 ( 26.138 0.000 0.145) 26.138 3.469 ( 6.103 0.000 4.880) 7.814 3.668 ( -2.074 0.000 -3.547) 4.109 3.781 ( 6.428 0.000 -1.784) 6.671 3.939 ( -3.777 0.000 -0.843) 3.870 4.124 ( -0.926 0.000 -2.258) 2.441 4.425 ( 3.644 0.000 -10.562) 11.173 4.658 ( 2.758 0.000 4.879) 5.605 5.125 ( -8.021 0.000 -6.458) 10.298 5.166 ( 7.736 0.000 11.208) 13.618 5.285 ( 4.740 0.000 16.266) 16.943 5.601 ( -4.163 0.000 -9.040) 9.952 5.917 ( -10.909 0.000 -11.808) 16.075 6.267 ( 3.950 0.000 -8.425) 9.305 6.398 ( -1.919 0.000 -9.989) 10.172 6.570 ( -18.570 0.000 1.449) 18.626 7.163 ( -5.806 0.000 -0.057) 5.806 7.256 ( 2.531 0.000 10.724) 11.018 7.552 ( 4.170 0.000 -3.637) 5.533 7.779 ( -13.916 0.000 0.786) 13.938 7.966 ( 10.315 0.000 8.442) 13.329 8.088 ( 11.318 0.000 14.231) 18.183 8.115 ( -4.149 0.000 -3.032) 5.139 8.348 ( -10.282 0.000 -4.704) 11.307 8.729 ( -9.429 0.000 -6.086) 11.222 8.887 ( 3.402 0.000 8.797) 9.432 8.900 ( -12.335 0.000 -2.341) 12.556 9.157 ( 1.275 0.000 -2.646) 2.937 9.483 ( 7.143 0.000 -2.753) 7.655 9.560 ( -8.372 0.000 -2.955) 8.878 9.780 ( 4.169 0.000 9.865) 10.709 9.989 ( 13.822 0.000 -2.585) 14.061 10.147 ( -7.414 0.000 2.256) 7.750 10.311 ( 3.138 0.000 5.391) 6.238 10.471 ( -0.584 0.000 -14.066) 14.078 10.815 ( 11.619 0.000 2.480) 11.881 11.081 ( 0.670 0.000 3.812) 3.870 11.501 ( -8.782 0.000 -5.166) 10.189 11.828 ( 0.515 0.000 0.677) 0.851 11.928 ( 3.346 0.000 1.497) 3.666 11.973 ( 11.731 0.000 0.148) 11.732 12.773 ( -7.707 0.000 -1.177) 7.796 12.917 ( 2.086 0.000 -3.163) 3.789 12.931 ( 39.810 0.000 -26.856) 48.022 13.227 ( -6.988 0.000 -0.917) 7.048 13.667 ( 5.344 0.000 -0.955) 5.429 13.673 ( -3.211 0.000 -0.809) 3.311 14.060 ( -1.522 0.000 -0.923) 1.780 14.232 ( 0.238 0.000 -0.098) 0.258 14.379 ( 7.266 0.000 2.389) 7.649 14.537 ( -0.267 0.000 -11.845) 11.848 14.558 ( -10.471 0.000 9.759) 14.314 15.044 ( -17.348 0.000 11.789) 20.975 15.239 ( -4.024 0.000 -0.302) 4.035 15.707 ( 4.373 0.000 6.259) 7.635 16.589 ( -26.582 0.000 7.766) 27.693 16.641 ( 4.963 0.000 7.611) 9.086 22.172 ( -1.645 0.000 1.606) 2.299 22.495 ( 2.874 0.000 -1.471) 3.228 22.858 ( -7.848 0.000 9.646) 12.435 23.601 ( -4.372 0.000 -10.783) 11.636 23.985 ( 4.454 0.000 -2.464) 5.090 24.043 ( 3.920 0.000 1.009) 4.047 24.099 ( -3.137 0.000 4.517) 5.500 24.165 ( -5.784 0.000 1.950) 6.104 24.582 ( 12.887 0.000 8.043) 15.191 24.829 ( -2.237 0.000 -5.660) 6.086 25.388 ( 6.065 0.000 2.368) 6.511 25.396 ( -2.242 0.000 -2.110) 3.079 25.612 ( -1.306 0.000 -4.041) 4.247 25.804 ( 4.399 0.000 -0.471) 4.424 26.524 ( -3.612 0.000 0.203) 3.617 26.800 ( 13.521 0.000 -6.966) 15.210 ======================= Grid point 79 (27/136) ======================= q-point: ( 0.18 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -5.905 0.000 36.862) 37.332 1.607 ( 16.396 0.000 21.507) 27.044 2.564 ( 5.570 0.000 -26.295) 26.879 2.942 ( 27.059 0.000 -1.857) 27.123 3.093 ( 34.266 0.000 -2.083) 34.329 3.615 ( 2.106 0.000 -3.378) 3.981 3.684 ( 5.635 0.000 13.303) 14.447 3.816 ( 21.854 0.000 -6.480) 22.795 4.004 ( 25.605 0.000 -2.209) 25.700 4.082 ( -0.158 0.000 -3.416) 3.420 4.118 ( 23.954 0.000 8.128) 25.296 4.431 ( 9.820 0.000 -7.558) 12.391 4.760 ( 5.182 0.000 3.154) 6.066 4.877 ( -12.627 0.000 -7.826) 14.856 5.392 ( -0.099 0.000 15.737) 15.738 5.411 ( -7.258 0.000 -14.821) 16.503 5.555 ( 11.047 0.000 11.215) 15.742 5.646 ( -4.581 0.000 -6.987) 8.355 6.144 ( -15.112 0.000 -1.064) 15.150 6.317 ( 8.249 0.000 -2.058) 8.502 6.409 ( -3.151 0.000 -5.847) 6.642 7.004 ( -12.264 0.000 -0.352) 12.269 7.306 ( -10.302 0.000 -10.664) 14.827 7.407 ( -8.539 0.000 10.878) 13.829 7.692 ( -3.122 0.000 6.178) 6.922 7.997 ( -8.086 0.000 2.091) 8.352 7.997 ( -3.441 0.000 -4.953) 6.031 8.246 ( 1.304 0.000 6.072) 6.210 8.462 ( -10.973 0.000 -12.505) 16.637 8.470 ( 8.722 0.000 9.337) 12.777 8.730 ( -3.798 0.000 -6.269) 7.330 8.944 ( -8.798 0.000 7.205) 11.372 9.103 ( 0.849 0.000 -8.653) 8.694 9.487 ( 0.132 0.000 -0.893) 0.903 9.519 ( 1.797 0.000 9.399) 9.569 10.028 ( 12.767 0.000 -7.534) 14.824 10.130 ( 7.784 0.000 10.969) 13.451 10.258 ( 14.738 0.000 -2.734) 14.989 10.288 ( 0.181 0.000 -8.103) 8.105 10.429 ( 1.239 0.000 -1.455) 1.911 10.945 ( -1.991 0.000 7.213) 7.483 11.142 ( -3.918 0.000 11.126) 11.795 11.458 ( 11.930 0.000 -7.583) 14.136 11.777 ( 1.754 0.000 -6.259) 6.500 11.922 ( -4.815 0.000 -2.504) 5.427 12.146 ( 4.122 0.000 4.032) 5.766 12.682 ( -3.646 0.000 6.373) 7.342 12.853 ( -3.872 0.000 -6.978) 7.981 12.975 ( -11.480 0.000 0.345) 11.485 13.154 ( 7.888 0.000 -15.254) 17.173 13.621 ( -1.606 0.000 -1.358) 2.103 13.737 ( -2.530 0.000 4.319) 5.006 14.007 ( 1.914 0.000 -4.195) 4.611 14.213 ( -2.316 0.000 -0.938) 2.499 14.411 ( -0.540 0.000 -11.846) 11.858 14.508 ( -3.658 0.000 9.260) 9.956 14.653 ( 17.696 0.000 -2.801) 17.916 14.927 ( -7.193 0.000 6.060) 9.405 15.147 ( -6.051 0.000 -0.593) 6.080 15.806 ( 1.277 0.000 4.343) 4.527 16.325 ( -14.359 0.000 4.097) 14.932 16.800 ( 1.813 0.000 10.680) 10.832 22.166 ( -0.880 0.000 1.480) 1.722 22.532 ( 2.975 0.000 -1.523) 3.343 22.853 ( -4.538 0.000 8.929) 10.016 23.391 ( -7.985 0.000 -9.241) 12.213 23.982 ( -1.370 0.000 -2.645) 2.979 24.076 ( -4.423 0.000 -1.139) 4.567 24.164 ( 5.014 0.000 3.818) 6.302 24.166 ( 6.686 0.000 4.213) 7.903 24.758 ( -0.023 0.000 -5.808) 5.808 24.926 ( 15.050 0.000 12.177) 19.359 25.314 ( -4.200 0.000 -3.344) 5.369 25.525 ( 7.717 0.000 1.180) 7.806 25.565 ( 2.170 0.000 -6.628) 6.974 25.868 ( 2.153 0.000 2.034) 2.962 26.451 ( -3.996 0.000 -1.038) 4.129 26.874 ( 4.492 0.000 -6.080) 7.560 ======================= Grid point 80 (28/136) ======================= q-point: ( 0.27 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( -10.987 0.000 33.299) 35.065 2.005 ( 8.691 0.000 -1.142) 8.765 2.375 ( 4.539 0.000 -6.033) 7.550 3.069 ( 16.865 0.000 -17.519) 24.317 3.552 ( 5.732 0.000 0.247) 5.737 3.577 ( -4.922 0.000 5.619) 7.470 3.989 ( 3.250 0.000 1.852) 3.741 4.110 ( 18.259 0.000 -12.851) 22.328 4.132 ( 15.042 0.000 15.403) 21.529 4.426 ( -1.825 0.000 -1.459) 2.336 4.518 ( -6.085 0.000 -11.046) 12.611 4.652 ( 44.887 0.000 1.479) 44.911 4.773 ( 21.198 0.000 0.239) 21.199 4.918 ( 10.463 0.000 4.437) 11.364 5.273 ( 14.895 0.000 -6.058) 16.080 5.474 ( -5.231 0.000 12.685) 13.721 5.599 ( 1.877 0.000 -1.335) 2.304 5.823 ( 7.099 0.000 6.326) 9.508 5.895 ( -11.893 0.000 -6.534) 13.569 6.296 ( -5.188 0.000 1.462) 5.390 6.480 ( 7.565 0.000 4.045) 8.579 6.815 ( -5.451 0.000 -3.539) 6.499 6.891 ( -15.875 0.000 -13.128) 20.600 7.486 ( -0.481 0.000 12.669) 12.678 7.622 ( -10.763 0.000 2.407) 11.029 7.928 ( -3.987 0.000 5.301) 6.633 7.948 ( 2.799 0.000 -4.446) 5.254 8.122 ( -11.576 0.000 -14.817) 18.803 8.207 ( -8.577 0.000 -0.353) 8.585 8.605 ( -1.794 0.000 5.567) 5.849 8.616 ( -1.620 0.000 -9.212) 9.353 8.797 ( -11.961 0.000 3.633) 12.500 9.050 ( 2.987 0.000 -8.906) 9.394 9.505 ( 4.155 0.000 -2.236) 4.719 9.788 ( 12.084 0.000 15.016) 19.275 10.062 ( 1.329 0.000 -1.428) 1.951 10.234 ( -0.626 0.000 -3.600) 3.654 10.386 ( 12.245 0.000 -8.731) 15.038 10.414 ( -1.482 0.000 -0.091) 1.485 10.527 ( 16.378 0.000 6.246) 17.529 11.024 ( 2.087 0.000 12.151) 12.329 11.168 ( -3.664 0.000 9.788) 10.451 11.628 ( 8.407 0.000 -5.414) 10.000 11.721 ( -5.333 0.000 -10.606) 11.871 11.737 ( -0.605 0.000 -8.039) 8.062 12.241 ( 5.503 0.000 0.778) 5.558 12.662 ( -10.589 0.000 -4.556) 11.527 12.755 ( -15.952 0.000 5.975) 17.034 12.802 ( 6.501 0.000 9.935) 11.873 13.124 ( 2.420 0.000 -8.610) 8.943 13.586 ( -0.652 0.000 -1.505) 1.640 13.677 ( -6.186 0.000 2.355) 6.619 14.050 ( 4.455 0.000 -0.685) 4.507 14.136 ( -3.722 0.000 -3.847) 5.353 14.272 ( -3.951 0.000 -8.617) 9.479 14.557 ( 0.635 0.000 5.489) 5.526 14.846 ( 2.441 0.000 -0.554) 2.503 14.961 ( 9.352 0.000 2.035) 9.570 15.037 ( -5.552 0.000 -0.633) 5.588 15.849 ( 0.498 0.000 1.659) 1.732 16.139 ( -11.019 0.000 1.594) 11.134 16.885 ( -3.720 0.000 8.855) 9.605 22.172 ( -0.299 0.000 1.800) 1.825 22.565 ( 2.886 0.000 -1.617) 3.309 22.865 ( -3.852 0.000 7.385) 8.329 23.160 ( -8.692 0.000 -7.526) 11.497 23.926 ( -2.409 0.000 -1.242) 2.710 23.990 ( -3.579 0.000 -1.588) 3.915 24.304 ( 6.561 0.000 3.460) 7.417 24.357 ( 8.987 0.000 6.476) 11.077 24.696 ( -0.404 0.000 -6.173) 6.187 25.180 ( -6.714 0.000 -3.480) 7.562 25.317 ( 14.012 0.000 12.939) 19.072 25.549 ( 4.153 0.000 -7.835) 8.867 25.666 ( 8.177 0.000 -0.948) 8.232 25.919 ( 0.394 0.000 3.949) 3.968 26.381 ( -2.466 0.000 -1.444) 2.858 26.864 ( 1.637 0.000 -5.452) 5.692 ======================= Grid point 81 (29/136) ======================= q-point: ( 0.36 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -14.897 0.000 29.428) 32.984 1.892 ( -0.008 0.000 -12.298) 12.298 2.674 ( 14.059 0.000 12.126) 18.566 3.215 ( 18.860 0.000 -14.532) 23.809 3.564 ( -2.591 0.000 2.369) 3.511 3.599 ( -2.134 0.000 11.253) 11.453 3.962 ( -1.855 0.000 -2.589) 3.186 3.979 ( -19.303 0.000 -12.142) 22.804 4.224 ( 7.763 0.000 -9.248) 12.074 4.536 ( 8.804 0.000 13.716) 16.299 4.552 ( 2.451 0.000 -3.908) 4.614 5.007 ( 10.371 0.000 3.536) 10.957 5.078 ( 15.936 0.000 -3.614) 16.341 5.443 ( 21.903 0.000 5.727) 22.639 5.531 ( 2.456 0.000 13.341) 13.565 5.579 ( -10.955 0.000 -5.200) 12.127 5.593 ( -1.001 0.000 -0.070) 1.003 5.841 ( 34.290 0.000 2.674) 34.394 5.885 ( -2.079 0.000 -0.059) 2.080 6.311 ( 3.241 0.000 2.275) 3.960 6.445 ( -6.013 0.000 -3.752) 7.088 6.761 ( 3.837 0.000 -5.547) 6.745 6.768 ( 7.241 0.000 -3.305) 7.960 7.428 ( -9.500 0.000 -3.360) 10.077 7.621 ( -0.335 0.000 12.543) 12.547 7.794 ( -7.119 0.000 -9.348) 11.750 7.949 ( -4.575 0.000 6.870) 8.255 7.962 ( 0.588 0.000 -2.465) 2.534 8.044 ( -5.113 0.000 -2.758) 5.810 8.477 ( -1.738 0.000 -11.801) 11.929 8.491 ( -16.366 0.000 2.779) 16.600 8.670 ( -4.800 0.000 1.587) 5.056 9.012 ( 1.384 0.000 -6.287) 6.438 9.599 ( 10.479 0.000 -4.612) 11.449 10.019 ( -0.367 0.000 0.462) 0.590 10.160 ( -8.006 0.000 4.568) 9.218 10.189 ( 13.175 0.000 8.889) 15.893 10.409 ( 1.169 0.000 -0.553) 1.293 10.436 ( 5.168 0.000 -10.441) 11.650 10.798 ( 8.185 0.000 0.859) 8.230 11.215 ( 1.357 0.000 13.796) 13.862 11.255 ( 4.301 0.000 7.010) 8.224 11.424 ( -2.737 0.000 -10.063) 10.429 11.565 ( -9.252 0.000 -8.166) 12.340 11.809 ( 9.880 0.000 -5.091) 11.114 12.302 ( 1.371 0.000 -5.598) 5.763 12.423 ( -10.943 0.000 -4.499) 11.832 12.630 ( -4.494 0.000 8.620) 9.722 13.034 ( 6.320 0.000 9.501) 11.411 13.051 ( -5.201 0.000 -1.942) 5.552 13.605 ( 4.124 0.000 2.866) 5.022 13.614 ( -1.486 0.000 -1.254) 1.945 13.968 ( -6.630 0.000 -13.339) 14.895 14.116 ( 2.242 0.000 1.880) 2.926 14.159 ( -5.086 0.000 4.639) 6.884 14.628 ( 2.475 0.000 2.677) 3.645 14.849 ( -1.185 0.000 1.608) 1.998 14.955 ( -2.804 0.000 -1.656) 3.257 15.148 ( 8.015 0.000 3.207) 8.633 15.861 ( 0.415 0.000 -0.962) 1.048 15.983 ( -7.807 0.000 -0.096) 7.808 16.856 ( -6.506 0.000 3.596) 7.433 22.189 ( -0.249 0.000 2.372) 2.385 22.601 ( 3.070 0.000 -1.544) 3.437 22.863 ( -3.903 0.000 5.369) 6.638 22.964 ( -6.070 0.000 -5.265) 8.035 23.884 ( -1.620 0.000 0.047) 1.621 23.933 ( -1.719 0.000 -0.572) 1.811 24.451 ( 6.138 0.000 3.970) 7.310 24.585 ( 8.575 0.000 7.724) 11.541 24.617 ( -1.351 0.000 -6.431) 6.572 25.002 ( -7.617 0.000 -6.339) 9.910 25.525 ( 4.402 0.000 -10.079) 10.998 25.659 ( 7.357 0.000 15.029) 16.733 25.764 ( 5.689 0.000 -3.929) 6.914 25.967 ( -0.291 0.000 5.619) 5.626 26.344 ( -0.615 0.000 -0.650) 0.895 26.835 ( 1.461 0.000 -4.957) 5.168 ======================= Grid point 82 (30/136) ======================= q-point: ( 0.45 0.00 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( -17.902 0.000 25.118) 30.845 1.928 ( 9.119 0.000 4.854) 10.331 2.901 ( -0.246 0.000 4.492) 4.498 3.404 ( 17.212 0.000 -11.582) 20.746 3.543 ( -14.419 0.000 -6.813) 15.948 3.568 ( -1.772 0.000 8.833) 9.009 3.786 ( 6.599 0.000 11.471) 13.234 3.875 ( -2.789 0.000 -7.163) 7.687 4.289 ( 7.429 0.000 -1.149) 7.517 4.600 ( 4.960 0.000 2.552) 5.578 4.665 ( -3.634 0.000 4.590) 5.854 5.172 ( 0.756 0.000 -2.999) 3.093 5.263 ( 2.102 0.000 -0.327) 2.128 5.359 ( -1.562 0.000 5.518) 5.735 5.539 ( -2.864 0.000 3.521) 4.539 5.630 ( -1.303 0.000 6.634) 6.760 5.690 ( -0.773 0.000 7.352) 7.392 5.806 ( -1.278 0.000 -5.550) 5.696 6.298 ( 9.038 0.000 -2.067) 9.272 6.432 ( 8.259 0.000 3.622) 9.019 6.558 ( 11.691 0.000 -7.527) 13.905 6.749 ( -2.391 0.000 0.305) 2.410 6.824 ( 11.059 0.000 -6.816) 12.991 7.254 ( -1.716 0.000 -12.152) 12.272 7.606 ( -3.453 0.000 2.651) 4.354 7.831 ( 0.790 0.000 11.729) 11.756 7.888 ( -5.426 0.000 1.494) 5.628 7.926 ( -5.320 0.000 9.487) 10.876 7.992 ( -1.469 0.000 -3.460) 3.759 8.253 ( -8.264 0.000 -0.281) 8.269 8.375 ( 4.709 0.000 -10.240) 11.271 8.624 ( -2.292 0.000 0.836) 2.440 8.988 ( 2.867 0.000 -4.587) 5.409 9.732 ( 9.695 0.000 -5.996) 11.400 9.960 ( -2.237 0.000 -8.108) 8.410 10.109 ( -4.059 0.000 8.576) 9.488 10.304 ( -6.900 0.000 -13.362) 15.039 10.415 ( -1.537 0.000 1.555) 2.186 10.419 ( 7.285 0.000 -2.759) 7.789 10.870 ( 3.484 0.000 4.037) 5.333 11.273 ( -6.310 0.000 9.810) 11.665 11.293 ( -10.724 0.000 -9.140) 14.090 11.446 ( 8.173 0.000 7.326) 10.976 11.476 ( 11.970 0.000 -6.836) 13.785 11.892 ( 2.449 0.000 -0.062) 2.450 12.210 ( -1.876 0.000 -6.716) 6.973 12.243 ( -4.467 0.000 -2.528) 5.133 12.723 ( 6.246 0.000 0.644) 6.280 12.911 ( -11.731 0.000 4.469) 12.554 13.140 ( -1.150 0.000 2.733) 2.965 13.596 ( 1.255 0.000 -2.747) 3.020 13.681 ( -5.687 0.000 -8.482) 10.212 13.853 ( 10.638 0.000 8.646) 13.708 14.158 ( -0.264 0.000 3.051) 3.063 14.177 ( -1.812 0.000 10.133) 10.294 14.678 ( 0.776 0.000 0.785) 1.104 14.848 ( -0.466 0.000 1.406) 1.482 14.897 ( -0.988 0.000 -3.800) 3.926 15.300 ( 3.328 0.000 8.395) 9.030 15.840 ( -0.261 0.000 -3.559) 3.568 15.879 ( -3.273 0.000 -1.611) 3.648 16.758 ( -5.052 0.000 -2.193) 5.507 22.208 ( -0.767 0.000 2.958) 3.056 22.626 ( 1.485 0.000 -2.410) 2.831 22.837 ( -4.032 0.000 2.996) 5.024 22.879 ( 0.875 0.000 -1.278) 1.549 23.875 ( -0.164 0.000 1.439) 1.448 23.922 ( 0.031 0.000 1.035) 1.036 24.512 ( -2.972 0.000 -3.820) 4.840 24.603 ( 6.090 0.000 2.430) 6.557 24.705 ( -5.123 0.000 -1.957) 5.484 24.884 ( 3.912 0.000 1.068) 4.055 25.471 ( 1.135 0.000 -9.806) 9.872 25.780 ( 2.138 0.000 -5.870) 6.247 25.874 ( 1.371 0.000 12.652) 12.726 26.008 ( -1.898 0.000 5.155) 5.494 26.338 ( -0.215 0.000 0.397) 0.452 26.826 ( 2.926 0.000 -3.925) 4.896 ======================= Grid point 83 (31/136) ======================= q-point: (-0.45 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -20.389 0.000 20.275) 28.753 2.244 ( 11.893 0.000 15.018) 19.157 2.741 ( -17.091 0.000 -0.331) 17.094 3.352 ( -0.747 0.000 -1.340) 1.534 3.511 ( 3.093 0.000 0.614) 3.153 3.700 ( -1.840 0.000 -0.197) 1.850 3.762 ( 9.246 0.000 -5.000) 10.512 4.096 ( 14.239 0.000 10.002) 17.401 4.454 ( 7.775 0.000 3.112) 8.374 4.548 ( -12.401 0.000 0.384) 12.407 4.731 ( 1.762 0.000 9.203) 9.370 5.031 ( -15.100 0.000 -14.004) 20.594 5.076 ( -1.247 0.000 0.791) 1.477 5.467 ( -9.202 0.000 3.036) 9.690 5.546 ( 6.522 0.000 6.176) 8.982 5.732 ( 5.313 0.000 11.689) 12.840 5.736 ( -8.539 0.000 -0.528) 8.555 5.830 ( 4.894 0.000 5.452) 7.326 6.217 ( -15.281 0.000 -4.550) 15.944 6.374 ( -7.852 0.000 -9.574) 12.382 6.443 ( -8.002 0.000 3.611) 8.779 6.783 ( -1.154 0.000 -5.610) 5.728 6.896 ( 1.041 0.000 -4.483) 4.602 7.214 ( 8.941 0.000 -7.998) 11.996 7.594 ( -3.346 0.000 5.761) 6.663 7.796 ( -5.776 0.000 2.401) 6.255 7.858 ( 1.571 0.000 -3.180) 3.547 7.970 ( 3.269 0.000 -1.015) 3.423 8.105 ( 4.871 0.000 13.430) 14.286 8.243 ( 7.618 0.000 -0.822) 7.663 8.469 ( 13.732 0.000 -3.252) 14.111 8.606 ( -1.336 0.000 0.664) 1.492 9.033 ( 6.333 0.000 -2.093) 6.670 9.724 ( -7.930 0.000 -21.023) 22.469 9.782 ( 0.726 0.000 -0.617) 0.953 10.075 ( -5.512 0.000 -6.712) 8.685 10.200 ( 5.678 0.000 3.970) 6.928 10.393 ( -3.806 0.000 4.684) 6.035 10.406 ( 1.717 0.000 -11.286) 11.415 10.983 ( 1.480 0.000 2.086) 2.558 11.032 ( -9.993 0.000 -6.059) 11.686 11.195 ( -12.372 0.000 8.963) 15.278 11.597 ( 7.195 0.000 -3.495) 7.999 11.664 ( 9.578 0.000 4.243) 10.476 11.913 ( 0.514 0.000 4.259) 4.290 12.145 ( 3.284 0.000 -9.412) 9.969 12.220 ( 4.058 0.000 -6.143) 7.362 12.686 ( -8.220 0.000 -2.931) 8.727 12.886 ( 2.828 0.000 5.464) 6.153 13.073 ( -7.137 0.000 1.675) 7.331 13.568 ( 0.381 0.000 -2.665) 2.692 13.585 ( 0.500 0.000 -3.291) 3.329 14.146 ( 7.513 0.000 11.459) 13.702 14.170 ( -2.705 0.000 4.482) 5.235 14.314 ( 4.972 0.000 13.071) 13.985 14.660 ( -2.439 0.000 -1.153) 2.697 14.843 ( 0.636 0.000 -5.887) 5.922 14.866 ( 0.587 0.000 1.897) 1.985 15.442 ( 0.540 0.000 13.598) 13.608 15.778 ( -1.295 0.000 -6.156) 6.290 15.839 ( 0.998 0.000 -2.496) 2.688 16.655 ( -1.579 0.000 -6.664) 6.849 22.221 ( -1.507 0.000 3.474) 3.786 22.604 ( -0.216 0.000 -2.992) 3.000 22.787 ( -3.874 0.000 0.575) 3.916 22.968 ( 8.088 0.000 2.070) 8.349 23.908 ( 1.397 0.000 2.929) 3.245 23.949 ( 1.200 0.000 1.898) 2.246 24.416 ( -3.561 0.000 -3.287) 4.846 24.509 ( -8.854 0.000 -6.438) 10.948 24.733 ( 4.840 0.000 3.932) 6.236 25.006 ( 4.647 0.000 0.183) 4.651 25.382 ( -1.676 0.000 -5.243) 5.505 25.724 ( -0.657 0.000 -7.869) 7.896 25.963 ( -4.120 0.000 10.367) 11.156 25.997 ( -4.508 0.000 3.889) 5.954 26.342 ( 0.148 0.000 0.692) 0.708 26.858 ( 4.462 0.000 -2.609) 5.169 ======================= Grid point 84 (32/136) ======================= q-point: (-0.36 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -23.001 0.000 15.127) 27.529 2.161 ( -26.943 0.000 -2.034) 27.020 2.815 ( 13.896 0.000 17.711) 22.512 3.459 ( 8.782 0.000 5.457) 10.340 3.525 ( -6.321 0.000 -5.358) 8.287 3.568 ( -0.258 0.000 -0.472) 0.538 3.997 ( 10.498 0.000 5.398) 11.805 4.209 ( -26.724 0.000 -3.152) 26.909 4.390 ( 3.248 0.000 -1.852) 3.739 4.487 ( 3.694 0.000 4.266) 5.643 4.664 ( -5.884 0.000 -17.102) 18.086 4.886 ( 0.941 0.000 15.769) 15.797 5.185 ( -26.892 0.000 -0.697) 26.901 5.187 ( 1.714 0.000 9.512) 9.666 5.521 ( -14.834 0.000 5.422) 15.794 5.644 ( -1.005 0.000 2.574) 2.763 5.719 ( -27.598 0.000 -3.444) 27.812 5.810 ( -10.483 0.000 -2.397) 10.754 5.973 ( 2.300 0.000 9.564) 9.836 6.241 ( 1.019 0.000 -9.504) 9.559 6.403 ( 3.147 0.000 7.508) 8.141 6.722 ( 6.797 0.000 -9.669) 11.819 6.847 ( -1.743 0.000 -1.386) 2.227 7.316 ( 8.770 0.000 -3.375) 9.397 7.559 ( -3.602 0.000 -0.088) 3.603 7.822 ( 1.270 0.000 10.358) 10.436 7.831 ( 3.452 0.000 -9.564) 10.168 8.032 ( 4.939 0.000 -2.178) 5.398 8.277 ( 6.012 0.000 3.465) 6.939 8.435 ( 11.050 0.000 -1.181) 11.113 8.564 ( -3.990 0.000 -0.589) 4.033 8.711 ( 12.012 0.000 4.038) 12.672 9.143 ( 6.837 0.000 -0.099) 6.838 9.377 ( -6.679 0.000 -19.398) 20.515 9.770 ( -5.250 0.000 6.146) 8.083 9.926 ( -2.236 0.000 -12.428) 12.628 10.296 ( 6.399 0.000 -7.852) 10.129 10.344 ( 3.903 0.000 -6.215) 7.339 10.448 ( 1.275 0.000 13.025) 13.087 10.850 ( -5.806 0.000 -2.846) 6.465 10.880 ( -11.082 0.000 -3.293) 11.561 11.072 ( -15.285 0.000 12.852) 19.970 11.654 ( 3.094 0.000 -4.429) 5.402 11.835 ( 6.841 0.000 0.996) 6.913 12.013 ( 3.104 0.000 6.423) 7.134 12.070 ( -0.321 0.000 -14.876) 14.879 12.205 ( 4.797 0.000 -9.327) 10.488 12.565 ( -3.129 0.000 1.803) 3.611 13.007 ( 8.334 0.000 -0.236) 8.337 13.022 ( -2.420 0.000 6.361) 6.806 13.539 ( -1.678 0.000 -3.944) 4.286 13.588 ( 2.383 0.000 -0.334) 2.407 14.155 ( -4.800 0.000 5.240) 7.106 14.327 ( 0.561 0.000 12.091) 12.104 14.530 ( 4.620 0.000 7.336) 8.670 14.591 ( -3.398 0.000 -1.413) 3.680 14.840 ( 6.587 0.000 -3.815) 7.612 14.900 ( 0.567 0.000 2.586) 2.647 15.570 ( -2.333 0.000 12.669) 12.882 15.679 ( -1.494 0.000 -8.559) 8.688 15.879 ( 4.280 0.000 3.514) 5.538 16.573 ( 0.948 0.000 -8.941) 8.991 22.226 ( -2.113 0.000 3.886) 4.424 22.571 ( -0.232 0.000 -2.853) 2.863 22.722 ( -3.143 0.000 -1.045) 3.312 23.168 ( 11.788 0.000 3.062) 12.179 23.973 ( 2.013 0.000 3.179) 3.762 23.990 ( 1.515 0.000 1.126) 1.888 24.314 ( -7.086 0.000 -4.454) 8.369 24.338 ( -3.377 0.000 0.598) 3.430 24.841 ( 2.831 0.000 4.308) 5.155 24.974 ( -3.285 0.000 -8.775) 9.370 25.357 ( -0.270 0.000 3.644) 3.654 25.598 ( -3.468 0.000 -10.243) 10.814 25.944 ( -5.164 0.000 2.708) 5.831 25.953 ( -7.652 0.000 8.502) 11.438 26.366 ( 1.821 0.000 1.000) 2.078 26.916 ( 4.760 0.000 -2.230) 5.256 ======================= Grid point 85 (33/136) ======================= q-point: (-0.27 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -25.870 0.000 10.590) 27.954 1.628 ( -31.719 0.000 -0.775) 31.728 3.173 ( -29.116 0.000 -15.918) 33.183 3.219 ( 10.994 0.000 15.836) 19.278 3.542 ( -6.306 0.000 4.227) 7.592 3.689 ( 9.071 0.000 6.610) 11.224 3.759 ( -17.866 0.000 4.147) 18.341 4.130 ( -17.286 0.000 -8.531) 19.277 4.139 ( -0.756 0.000 1.102) 1.336 4.504 ( 3.550 0.000 -11.266) 11.812 4.705 ( -26.215 0.000 4.751) 26.642 4.729 ( -20.687 0.000 10.038) 22.994 4.805 ( -20.414 0.000 5.008) 21.019 4.991 ( -0.365 0.000 6.961) 6.970 5.306 ( -16.424 0.000 2.372) 16.594 5.468 ( -19.591 0.000 -8.683) 21.429 5.662 ( 14.241 0.000 1.029) 14.278 5.695 ( 2.156 0.000 4.953) 5.402 6.027 ( 0.123 0.000 9.644) 9.645 6.208 ( 6.166 0.000 -8.081) 10.165 6.716 ( 18.280 0.000 3.622) 18.636 6.803 ( 11.853 0.000 -10.267) 15.681 6.819 ( -2.780 0.000 6.728) 7.280 7.386 ( 5.900 0.000 -7.986) 9.929 7.565 ( 4.371 0.000 1.229) 4.541 7.808 ( 5.718 0.000 -9.984) 11.505 7.977 ( 2.527 0.000 11.323) 11.601 8.056 ( 0.108 0.000 -4.679) 4.680 8.403 ( 6.769 0.000 0.651) 6.801 8.417 ( -8.815 0.000 -3.576) 9.513 8.560 ( 6.557 0.000 -4.537) 7.974 8.926 ( 6.522 0.000 5.773) 8.710 9.147 ( -0.286 0.000 -13.365) 13.368 9.239 ( 3.305 0.000 2.416) 4.094 9.730 ( -7.117 0.000 7.976) 10.690 9.754 ( -0.915 0.000 -15.483) 15.510 10.292 ( 1.867 0.000 -7.067) 7.309 10.413 ( 0.337 0.000 3.691) 3.706 10.653 ( -5.109 0.000 -5.341) 7.391 10.653 ( 6.574 0.000 12.550) 14.167 10.779 ( -0.614 0.000 -0.836) 1.037 10.906 ( -20.065 0.000 13.598) 24.239 11.572 ( -3.031 0.000 -8.568) 9.088 11.828 ( -5.797 0.000 -20.289) 21.101 11.916 ( 2.487 0.000 -0.583) 2.554 12.110 ( -0.706 0.000 7.196) 7.231 12.259 ( 9.651 0.000 -4.612) 10.696 12.587 ( 3.990 0.000 -3.936) 5.605 13.098 ( 2.505 0.000 6.267) 6.749 13.172 ( 11.951 0.000 -1.986) 12.115 13.460 ( -2.608 0.000 -2.772) 3.806 13.623 ( 1.761 0.000 0.298) 1.786 14.103 ( -5.949 0.000 2.499) 6.452 14.379 ( -4.713 0.000 4.854) 6.766 14.533 ( -3.453 0.000 1.804) 3.896 14.630 ( 3.359 0.000 3.136) 4.595 14.935 ( 0.692 0.000 2.120) 2.230 14.982 ( 9.036 0.000 1.482) 9.157 15.567 ( -0.347 0.000 -9.910) 9.916 15.587 ( -3.134 0.000 1.082) 3.315 16.090 ( 4.593 0.000 24.014) 24.449 16.506 ( 1.616 0.000 -8.621) 8.772 22.226 ( -2.539 0.000 3.925) 4.675 22.536 ( -0.464 0.000 -3.000) 3.036 22.670 ( -1.743 0.000 -0.397) 1.787 23.413 ( 13.311 0.000 2.088) 13.474 24.011 ( 0.746 0.000 -1.131) 1.355 24.012 ( 0.233 0.000 -0.261) 0.350 24.190 ( -4.485 0.000 -0.495) 4.513 24.339 ( -1.810 0.000 9.220) 9.396 24.776 ( -8.245 0.000 -8.489) 11.834 24.915 ( 0.760 0.000 4.693) 4.754 25.404 ( 0.271 0.000 4.191) 4.199 25.408 ( -4.826 0.000 -12.857) 13.732 25.884 ( -4.375 0.000 1.804) 4.732 25.891 ( -8.046 0.000 6.629) 10.425 26.422 ( 3.019 0.000 1.652) 3.441 26.962 ( 4.110 0.000 -4.616) 6.180 ======================= Grid point 86 (34/136) ======================= q-point: (-0.18 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( -27.150 0.000 9.041) 28.616 1.098 ( -32.547 0.000 6.152) 33.124 2.278 ( -57.032 0.000 -5.691) 57.315 3.389 ( -13.172 0.000 10.540) 16.870 3.452 ( -5.867 0.000 -4.889) 7.637 3.604 ( -11.033 0.000 8.963) 14.215 3.682 ( -26.091 0.000 -8.673) 27.495 3.826 ( 0.460 0.000 -0.372) 0.592 4.032 ( -6.079 0.000 -3.162) 6.852 4.102 ( -22.243 0.000 6.445) 23.158 4.379 ( -14.587 0.000 5.712) 15.666 4.544 ( -0.330 0.000 -3.914) 3.927 4.765 ( -10.213 0.000 3.798) 10.897 4.976 ( -14.450 0.000 -5.136) 15.335 5.150 ( 7.963 0.000 2.857) 8.460 5.164 ( -9.446 0.000 -0.813) 9.481 5.774 ( 7.857 0.000 5.442) 9.558 6.011 ( 14.748 0.000 3.107) 15.072 6.194 ( 8.038 0.000 7.587) 11.053 6.272 ( 8.985 0.000 -7.021) 11.403 6.762 ( -0.747 0.000 -1.932) 2.071 6.877 ( 6.797 0.000 -6.089) 9.125 7.093 ( 11.387 0.000 9.907) 15.094 7.410 ( 6.379 0.000 -8.209) 10.396 7.699 ( 12.067 0.000 -2.259) 12.276 7.793 ( -0.782 0.000 -8.535) 8.571 7.915 ( -9.133 0.000 -5.968) 10.910 8.092 ( 1.734 0.000 2.266) 2.853 8.265 ( -0.291 0.000 -0.648) 0.711 8.533 ( 5.500 0.000 6.016) 8.151 8.632 ( 6.688 0.000 -3.852) 7.718 8.985 ( -3.325 0.000 0.427) 3.352 9.108 ( 9.085 0.000 -11.911) 14.980 9.350 ( 0.421 0.000 11.617) 11.625 9.609 ( -0.186 0.000 -9.407) 9.409 9.713 ( -2.739 0.000 7.627) 8.103 10.206 ( -4.248 0.000 -6.157) 7.481 10.263 ( -15.008 0.000 0.599) 15.020 10.645 ( -7.447 0.000 -3.892) 8.403 10.700 ( -9.955 0.000 12.775) 16.195 10.764 ( -0.091 0.000 -0.055) 0.106 10.918 ( 8.816 0.000 10.165) 13.455 11.469 ( -8.290 0.000 -29.374) 30.521 11.498 ( 2.920 0.000 -1.790) 3.425 11.940 ( 2.515 0.000 -2.038) 3.236 12.107 ( -7.097 0.000 5.588) 9.033 12.418 ( 13.238 0.000 -4.145) 13.872 12.517 ( -2.318 0.000 -17.508) 17.661 13.179 ( -0.748 0.000 4.348) 4.411 13.304 ( 2.200 0.000 0.177) 2.208 13.480 ( 8.782 0.000 -0.058) 8.782 13.666 ( 2.577 0.000 1.542) 3.003 14.008 ( -4.818 0.000 -2.407) 5.386 14.308 ( -4.511 0.000 -0.824) 4.586 14.506 ( -4.973 0.000 6.602) 8.266 14.704 ( 2.520 0.000 0.228) 2.530 14.956 ( 1.282 0.000 -2.425) 2.743 15.135 ( 6.217 0.000 2.713) 6.784 15.480 ( 1.343 0.000 -8.782) 8.884 15.515 ( -2.384 0.000 -4.646) 5.222 16.460 ( 1.710 0.000 -5.966) 6.206 16.548 ( 9.421 0.000 47.498) 48.423 22.217 ( -2.736 0.000 3.248) 4.246 22.497 ( -0.380 0.000 -3.005) 3.029 22.674 ( 0.447 0.000 4.732) 4.753 23.641 ( 12.427 0.000 -1.875) 12.568 23.987 ( -1.143 0.000 -1.661) 2.017 24.006 ( 0.591 0.000 -0.706) 0.921 24.137 ( -3.060 0.000 1.895) 3.600 24.451 ( -0.977 0.000 17.123) 17.151 24.557 ( -8.767 0.000 -5.045) 10.115 24.970 ( 0.201 0.000 5.054) 5.058 25.191 ( -3.642 0.000 -15.332) 15.759 25.439 ( -0.000 0.000 2.321) 2.321 25.820 ( -6.707 0.000 4.619) 8.143 25.837 ( -3.198 0.000 2.046) 3.797 26.493 ( 2.739 0.000 2.089) 3.445 26.928 ( 1.334 0.000 -15.355) 15.412 ======================= Grid point 87 (35/136) ======================= q-point: (-0.09 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( -26.310 0.000 7.576) 27.379 0.704 ( -26.795 0.000 22.046) 34.699 1.303 ( -58.091 0.000 23.991) 62.850 2.958 ( -31.951 0.000 -2.369) 32.038 3.187 ( -18.845 0.000 -1.089) 18.877 3.241 ( -6.387 0.000 -12.001) 13.595 3.521 ( -9.128 0.000 6.483) 11.196 3.823 ( 2.052 0.000 -3.890) 4.398 3.886 ( -8.919 0.000 -2.760) 9.336 4.057 ( -2.377 0.000 5.745) 6.217 4.238 ( -7.400 0.000 4.750) 8.794 4.454 ( -1.095 0.000 -0.642) 1.269 4.621 ( -5.761 0.000 -3.863) 6.937 4.885 ( 3.448 0.000 -1.246) 3.666 5.078 ( -4.178 0.000 5.079) 6.577 5.248 ( 3.973 0.000 -2.266) 4.573 5.955 ( 1.976 0.000 2.653) 3.308 6.154 ( 3.573 0.000 -1.659) 3.940 6.339 ( 7.121 0.000 -7.614) 10.425 6.398 ( 9.850 0.000 -3.894) 10.592 6.785 ( 1.936 0.000 6.938) 7.203 6.935 ( 3.665 0.000 -0.573) 3.709 7.355 ( 9.941 0.000 7.965) 12.738 7.440 ( 5.459 0.000 -4.226) 6.904 7.560 ( -10.400 0.000 -8.053) 13.154 7.731 ( -9.427 0.000 1.198) 9.503 7.896 ( 4.240 0.000 5.420) 6.882 8.072 ( 9.102 0.000 -15.686) 18.136 8.405 ( 10.810 0.000 2.323) 11.056 8.720 ( 5.102 0.000 0.122) 5.104 8.841 ( 19.465 0.000 22.913) 30.065 8.918 ( -3.070 0.000 5.174) 6.016 9.160 ( 12.876 0.000 -14.075) 19.076 9.391 ( -8.002 0.000 15.193) 17.171 9.599 ( 3.366 0.000 0.413) 3.391 9.830 ( 4.691 0.000 8.514) 9.721 9.986 ( -14.014 0.000 -3.259) 14.388 10.063 ( -3.530 0.000 -0.524) 3.568 10.497 ( -6.115 0.000 6.183) 8.696 10.610 ( -12.716 0.000 3.844) 13.285 10.713 ( -14.718 0.000 -23.762) 27.951 10.773 ( -17.071 0.000 -24.780) 30.091 11.184 ( 2.616 0.000 6.372) 6.888 11.624 ( 9.470 0.000 1.631) 9.609 11.971 ( 4.257 0.000 -2.113) 4.753 11.987 ( -11.260 0.000 2.241) 11.480 12.176 ( -14.460 0.000 -10.109) 17.643 12.611 ( 14.383 0.000 -4.857) 15.181 13.135 ( -8.146 0.000 2.639) 8.562 13.325 ( -1.712 0.000 4.672) 4.976 13.639 ( 7.700 0.000 -2.621) 8.134 13.728 ( 1.311 0.000 2.200) 2.561 13.926 ( 1.397 0.000 -4.826) 5.025 14.240 ( -1.322 0.000 -1.931) 2.341 14.476 ( -8.611 0.000 9.569) 12.873 14.711 ( 1.618 0.000 -5.880) 6.098 14.894 ( -0.052 0.000 -13.397) 13.397 15.248 ( 2.769 0.000 3.809) 4.710 15.431 ( -5.737 0.000 0.578) 5.766 15.453 ( 3.944 0.000 -4.339) 5.864 16.454 ( 2.475 0.000 -2.041) 3.208 17.393 ( 29.898 0.000 35.249) 46.221 22.200 ( -2.442 0.000 2.551) 3.532 22.470 ( 0.574 0.000 -2.537) 2.602 22.831 ( 8.593 0.000 13.478) 15.984 23.764 ( 7.338 0.000 -8.265) 11.053 23.966 ( -0.141 0.000 0.511) 0.530 24.024 ( 0.745 0.000 -0.741) 1.050 24.137 ( 0.222 0.000 6.409) 6.413 24.390 ( -6.503 0.000 -1.819) 6.753 24.606 ( -1.862 0.000 1.562) 2.431 24.990 ( 1.237 0.000 0.250) 1.262 25.087 ( 4.451 0.000 5.454) 7.040 25.450 ( -0.275 0.000 0.400) 0.485 25.753 ( -5.244 0.000 2.158) 5.671 25.813 ( -2.909 0.000 0.681) 2.987 26.526 ( -22.216 0.000 -36.152) 42.432 26.548 ( 0.998 0.000 2.041) 2.271 ======================= Grid point 88 (36/136) ======================= q-point: ( 0.00 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 14.360 20.092 16.541) 29.724 1.076 ( -4.827 22.211 27.208) 35.453 1.540 ( -3.467 36.130 32.820) 48.934 2.520 ( -5.759 -2.689 -9.192) 11.176 2.981 ( 5.298 -5.238 -4.568) 8.739 3.093 ( -0.431 -1.184 -1.651) 2.077 3.290 ( -2.530 -15.643 6.881) 17.276 3.484 ( -0.939 -4.488 -13.057) 13.838 3.948 ( -1.153 -5.168 -0.347) 5.307 4.081 ( -3.499 10.712 1.724) 11.400 4.216 ( -5.395 2.051 -6.085) 8.387 4.470 ( 0.395 -0.782 -5.123) 5.197 4.635 ( 2.500 7.962 4.561) 9.510 5.013 ( 4.236 3.367 1.926) 5.744 5.080 ( 0.394 1.370 5.888) 6.058 5.366 ( 0.442 7.079 0.283) 7.098 5.754 ( -7.934 -5.959 -10.497) 14.445 6.070 ( -4.279 -6.133 -5.405) 9.226 6.213 ( 0.864 -9.851 -7.851) 12.626 6.418 ( 6.891 -3.924 -1.763) 8.123 6.812 ( -9.228 -0.217 5.359) 10.673 7.134 ( 6.811 4.997 2.727) 8.876 7.288 ( -6.596 0.076 -5.156) 8.373 7.514 ( 2.730 0.229 -1.459) 3.104 7.641 ( 8.160 -1.648 8.142) 11.645 7.825 ( 8.358 1.945 5.369) 10.122 7.872 ( -3.186 -0.061 5.186) 6.087 8.179 ( 2.657 2.700 -6.512) 7.533 8.540 ( 4.216 -4.077 3.856) 7.019 8.653 ( -3.249 -5.915 -5.874) 8.947 8.881 ( -7.983 -0.921 4.482) 9.201 9.128 ( -11.166 -8.117 3.542) 14.252 9.136 ( 3.934 -1.393 -1.136) 4.325 9.427 ( 11.619 6.347 -4.929) 14.127 9.707 ( -0.439 2.869 1.082) 3.097 9.752 ( -6.976 -2.932 1.878) 7.797 9.884 ( -2.294 0.822 -0.550) 2.498 10.159 ( 5.073 2.794 4.818) 7.533 10.353 ( 22.066 -14.880 5.711) 27.220 10.404 ( -12.191 0.989 4.477) 13.024 10.603 ( 9.346 -5.316 -5.718) 12.178 10.696 ( 4.469 3.606 -1.870) 6.040 11.220 ( 5.820 -4.006 5.902) 9.206 11.590 ( -9.248 -12.210 0.107) 15.317 11.947 ( -4.308 -0.980 0.670) 4.469 12.114 ( 17.277 5.581 -1.411) 18.211 12.280 ( 5.530 4.584 2.350) 7.557 12.884 ( 9.423 1.127 -8.544) 12.769 13.085 ( -4.551 10.877 2.117) 11.979 13.321 ( -3.192 0.753 1.733) 3.709 13.686 ( 1.864 3.032 -3.999) 5.353 13.743 ( -4.840 1.429 0.304) 5.056 13.994 ( 7.252 0.377 -0.774) 7.303 14.142 ( 0.033 -4.834 -1.510) 5.065 14.468 ( -4.195 -0.305 5.733) 7.110 14.578 ( -5.691 0.156 1.747) 5.955 14.823 ( 1.644 5.756 -12.827) 14.155 15.199 ( -0.870 -3.146 -0.269) 3.275 15.517 ( -3.203 7.134 -0.632) 7.846 15.614 ( 1.083 9.750 2.604) 10.150 16.406 ( -1.244 -5.817 5.236) 7.925 17.088 ( -23.915 -11.204 0.036) 26.409 22.226 ( -1.934 3.816 2.374) 4.892 22.596 ( 1.070 2.651 -2.498) 3.797 23.140 ( -4.932 13.416 -11.622) 18.422 23.707 ( 1.113 -3.173 -10.498) 11.023 23.966 ( -1.289 0.352 0.239) 1.357 24.012 ( -0.181 0.054 -0.915) 0.934 24.144 ( -5.212 -0.806 3.505) 6.333 24.276 ( -5.559 -0.644 0.388) 5.610 24.448 ( -1.625 10.489 0.004) 10.614 24.962 ( -7.172 -0.426 -2.893) 7.745 25.287 ( 3.112 0.120 1.229) 3.348 25.370 ( 5.253 -4.919 4.400) 8.435 25.672 ( -1.449 -0.586 -2.066) 2.591 25.729 ( 3.933 0.081 -3.445) 5.229 26.286 ( 13.928 -8.065 13.053) 20.722 26.531 ( -0.902 -3.516 1.971) 4.130 ======================= Grid point 89 (37/136) ======================= q-point: ( 0.09 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 14.556 15.717 21.729) 30.513 1.384 ( 5.601 13.765 29.822) 33.319 2.124 ( 34.588 19.542 26.539) 47.776 2.543 ( 18.696 -1.134 -15.576) 24.361 3.025 ( 11.017 1.843 -15.455) 19.069 3.324 ( 17.958 -6.560 -0.989) 19.144 3.374 ( 10.981 -14.295 4.693) 18.627 3.428 ( 6.656 -2.826 -0.526) 7.250 3.897 ( -0.979 -2.595 -4.431) 5.227 4.037 ( 0.095 10.812 -2.778) 11.163 4.104 ( -1.642 -1.291 -2.257) 3.075 4.428 ( 3.240 0.608 -9.005) 9.589 4.728 ( 3.225 6.656 3.569) 8.212 5.052 ( -1.113 -1.451 -1.450) 2.333 5.236 ( 7.282 2.393 8.774) 11.651 5.400 ( -0.987 8.801 9.463) 12.960 5.554 ( -2.847 -4.729 -7.948) 9.677 5.870 ( -10.306 -3.110 -9.403) 14.294 6.132 ( 1.258 -11.784 -8.757) 14.735 6.461 ( -0.860 2.916 -4.482) 5.416 6.548 ( -17.428 -0.149 1.097) 17.463 7.124 ( -8.705 -4.472 -2.917) 10.212 7.306 ( 4.653 3.236 7.576) 9.462 7.576 ( 5.032 1.994 -2.263) 5.867 7.707 ( -10.437 -4.197 3.505) 11.783 7.916 ( 0.338 -4.647 2.678) 5.374 8.088 ( 9.172 -0.088 8.366) 12.415 8.132 ( 0.492 1.955 2.539) 3.242 8.410 ( -7.551 3.365 -6.429) 10.472 8.599 ( -5.321 -10.129 1.731) 11.572 8.756 ( -10.024 -1.710 2.271) 10.419 9.060 ( 2.832 2.233 1.208) 3.804 9.131 ( -1.190 0.609 -2.598) 2.921 9.540 ( -1.339 0.702 -0.974) 1.799 9.657 ( 4.571 11.614 -4.871) 13.398 9.793 ( 3.098 1.251 9.047) 9.645 9.992 ( 13.612 0.139 -2.741) 13.886 10.147 ( -8.511 -0.597 -0.965) 8.587 10.268 ( 0.151 -3.664 2.995) 4.735 10.462 ( 0.528 -0.886 -13.225) 13.265 10.827 ( 9.726 -3.486 6.319) 12.111 10.877 ( 10.247 -11.995 1.509) 15.848 11.396 ( -4.469 -8.321 -3.245) 9.988 11.584 ( 15.591 -12.869 7.383) 21.522 11.863 ( -4.996 1.162 -0.185) 5.133 12.238 ( 0.235 8.851 -0.670) 8.880 12.469 ( 8.470 -17.046 1.026) 19.062 12.897 ( 2.685 -5.584 -8.176) 10.259 13.075 ( 0.610 13.775 0.707) 13.807 13.248 ( -4.386 2.200 -2.635) 5.570 13.648 ( -5.756 1.175 0.802) 5.929 13.757 ( 9.695 3.574 -4.163) 11.140 14.035 ( -2.986 -2.266 0.331) 3.763 14.198 ( 7.313 -1.804 0.295) 7.538 14.457 ( -2.039 -1.965 -0.526) 2.880 14.534 ( -0.337 5.243 4.575) 6.966 14.725 ( 1.189 9.021 -11.632) 14.768 15.130 ( -7.877 1.917 0.294) 8.113 15.321 ( -13.125 11.995 1.065) 17.812 15.725 ( 3.106 1.716 5.413) 6.472 16.412 ( -8.710 -7.605 9.155) 14.749 16.758 ( -8.726 2.255 2.082) 9.250 22.217 ( -1.699 4.263 2.117) 5.053 22.585 ( 0.858 4.033 -2.788) 4.977 22.925 ( -9.800 8.001 3.509) 13.129 23.566 ( -4.772 -3.406 -10.418) 11.954 23.977 ( 2.715 -0.453 -1.089) 2.960 24.036 ( 2.702 -0.932 1.331) 3.153 24.107 ( -2.173 1.129 2.705) 3.648 24.188 ( -4.570 1.355 0.828) 4.838 24.626 ( 11.719 4.270 6.978) 14.292 24.845 ( -1.774 1.278 -4.959) 5.419 25.378 ( 1.828 -0.622 0.279) 1.951 25.400 ( 2.132 0.144 0.440) 2.181 25.615 ( -0.363 0.493 -4.015) 4.062 25.816 ( 6.111 0.744 -1.447) 6.324 26.487 ( -2.340 -3.707 0.907) 4.476 26.638 ( 11.738 -12.411 0.797) 17.101 ======================= Grid point 90 (38/136) ======================= q-point: ( 0.18 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -2.273 9.649 30.133) 31.721 1.806 ( 14.109 16.774 19.844) 29.567 2.585 ( 6.320 1.483 -21.865) 22.808 2.954 ( 21.797 0.416 -1.143) 21.831 3.103 ( 25.340 1.158 -5.655) 25.989 3.544 ( 12.053 -3.883 0.688) 12.682 3.591 ( 5.522 -8.038 13.240) 16.444 3.813 ( 21.701 -1.075 -4.115) 22.113 3.993 ( 27.412 -5.563 -2.997) 28.131 4.069 ( 1.345 0.099 -1.186) 1.796 4.188 ( 17.377 7.114 3.647) 19.128 4.422 ( 8.279 1.496 -9.235) 12.492 4.826 ( 5.604 5.500 2.341) 8.194 4.937 ( -7.236 5.111 -6.218) 10.823 5.415 ( -2.610 -0.076 -10.102) 10.434 5.458 ( -2.920 6.508 10.776) 12.922 5.515 ( 6.642 -3.798 3.464) 8.399 5.631 ( -1.940 -1.084 -1.789) 2.853 6.116 ( 2.146 -14.024 -0.662) 14.203 6.215 ( -12.758 5.964 -1.777) 14.195 6.459 ( -3.858 -0.617 -1.256) 4.104 6.910 ( -10.084 -6.344 -4.106) 12.602 7.351 ( -11.411 1.432 -6.696) 13.308 7.475 ( -6.587 5.023 10.858) 13.657 7.671 ( -0.731 -1.074 3.564) 3.794 7.832 ( -3.826 -5.549 -2.793) 7.296 8.120 ( -6.675 1.510 0.598) 6.870 8.216 ( -1.010 -2.862 0.892) 3.163 8.374 ( -5.109 -3.707 0.826) 6.366 8.544 ( 5.239 -0.047 0.338) 5.250 8.623 ( -5.114 -1.433 0.498) 5.334 9.033 ( -3.681 4.795 -4.948) 7.812 9.158 ( 0.837 3.435 -1.766) 3.952 9.524 ( 2.963 1.986 1.810) 4.000 9.574 ( -6.129 6.456 3.873) 9.708 10.064 ( 8.638 2.235 -6.992) 11.335 10.095 ( 12.985 -2.657 5.095) 14.199 10.199 ( 8.130 -4.730 -3.456) 10.021 10.275 ( 0.554 -2.664 -0.512) 2.769 10.391 ( 6.180 -1.576 -7.106) 9.549 10.934 ( -3.897 -3.677 7.978) 9.610 11.017 ( 0.882 -9.319 6.967) 11.669 11.439 ( 13.382 -0.565 -4.134) 14.018 11.722 ( -2.274 -4.195 -1.673) 5.057 11.899 ( 8.166 -1.323 2.748) 8.717 12.132 ( -11.065 -1.834 0.014) 11.216 12.590 ( 5.093 -9.693 2.465) 11.224 12.786 ( -7.624 -8.756 -4.241) 12.360 13.094 ( -1.818 15.156 0.710) 15.282 13.159 ( 2.511 2.552 -7.906) 8.679 13.536 ( -8.321 -2.291 1.188) 8.712 13.888 ( 5.722 6.271 0.524) 8.505 13.980 ( -1.330 -1.363 -1.349) 2.334 14.284 ( 0.354 3.547 -0.106) 3.566 14.404 ( -0.467 0.726 -4.332) 4.418 14.587 ( -4.813 2.954 3.842) 6.830 14.705 ( 13.560 5.680 -8.215) 16.841 14.975 ( -8.830 4.122 1.865) 9.922 15.169 ( -6.559 3.889 -0.041) 7.625 15.793 ( -0.032 -1.682 3.141) 3.563 16.296 ( -11.257 -1.599 5.287) 12.539 16.774 ( -0.027 -3.118 7.740) 8.344 22.213 ( -1.164 4.532 2.105) 5.130 22.579 ( 1.418 3.172 -2.084) 4.051 22.860 ( -5.507 1.568 6.951) 9.005 23.355 ( -8.099 -3.511 -8.864) 12.510 23.978 ( -1.201 -0.283 -1.935) 2.295 24.054 ( -3.150 -1.756 -0.079) 3.607 24.169 ( 5.785 0.518 2.856) 6.473 24.183 ( 3.946 1.118 2.616) 4.864 24.783 ( 0.411 2.401 -4.724) 5.315 24.935 ( 12.780 0.652 10.750) 16.712 25.316 ( -3.546 0.253 -3.470) 4.967 25.486 ( 3.873 -2.661 -1.782) 5.025 25.622 ( 6.554 4.624 -2.878) 8.521 25.895 ( 3.456 2.329 1.019) 4.290 26.431 ( -3.571 -1.851 -0.547) 4.060 26.765 ( 5.296 -9.884 -3.085) 11.630 ======================= Grid point 91 (39/136) ======================= q-point: ( 0.27 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -9.335 7.887 29.301) 31.747 2.152 ( 6.313 13.670 -4.959) 15.853 2.450 ( 6.643 6.185 -1.283) 9.167 3.076 ( 14.911 1.041 -14.335) 20.711 3.406 ( 5.140 -8.910 -0.114) 10.287 3.572 ( -3.688 -3.997 3.894) 6.688 3.853 ( 6.332 -12.883 9.891) 17.433 4.039 ( -1.569 -3.045 0.029) 3.426 4.236 ( 20.906 5.113 -9.726) 23.618 4.501 ( 5.153 3.756 -0.479) 6.394 4.551 ( 19.436 2.689 0.867) 19.641 4.658 ( 15.031 -1.748 -1.191) 15.179 4.738 ( 25.489 8.287 -4.346) 27.152 5.035 ( 12.442 5.536 4.904) 14.474 5.320 ( 12.849 4.208 -5.083) 14.445 5.500 ( -5.000 2.227 6.099) 8.195 5.574 ( 5.760 -1.419 -0.551) 5.957 5.761 ( 2.191 -3.979 1.025) 4.657 5.995 ( -9.572 4.959 -0.956) 10.823 6.185 ( 3.364 -9.992 4.495) 11.461 6.358 ( -4.738 -8.035 -0.927) 9.373 6.785 ( -0.342 1.316 -3.281) 3.552 7.000 ( -15.382 3.707 -5.864) 16.874 7.548 ( -1.487 3.678 9.347) 10.154 7.601 ( -8.459 -0.958 1.329) 8.616 7.803 ( -0.617 -6.837 1.807) 7.099 8.000 ( -5.862 1.086 -1.314) 6.105 8.114 ( -4.254 -0.049 -3.878) 5.757 8.211 ( -9.990 0.171 -6.198) 11.758 8.549 ( -1.474 -5.530 -3.587) 6.754 8.659 ( -0.518 4.514 4.257) 6.226 8.874 ( -9.026 7.069 -4.465) 12.304 9.081 ( -0.052 3.035 -6.984) 7.615 9.537 ( 0.984 2.599 -1.072) 2.979 9.775 ( 13.126 -1.754 10.845) 17.117 10.082 ( 2.049 -1.763 -2.072) 3.406 10.136 ( -5.504 -5.568 -0.322) 7.836 10.297 ( 6.774 -6.437 -3.178) 9.871 10.441 ( 11.632 1.047 -6.668) 13.449 10.534 ( 14.420 1.020 2.647) 14.696 10.940 ( -5.116 -10.162 8.742) 14.348 11.105 ( 4.179 -4.104 6.269) 8.579 11.615 ( -2.544 1.093 -0.583) 2.830 11.623 ( 2.604 -0.319 -3.797) 4.615 11.901 ( -8.097 1.055 -3.828) 9.018 12.095 ( 9.344 -4.401 -0.595) 10.346 12.597 ( -10.246 -7.317 2.800) 12.898 12.701 ( 5.870 -5.870 -2.751) 8.746 13.044 ( -4.018 15.605 3.980) 16.598 13.156 ( 0.922 7.653 -3.593) 8.505 13.420 ( -4.139 -7.617 0.300) 8.675 13.898 ( -3.750 11.252 0.527) 11.872 14.010 ( 3.725 -1.473 -0.532) 4.040 14.217 ( -6.058 4.677 0.781) 7.693 14.312 ( -2.821 4.228 -10.701) 11.847 14.567 ( -1.148 0.063 4.671) 4.811 14.848 ( 2.087 0.534 -1.318) 2.526 14.935 ( 5.739 -1.908 1.555) 6.244 15.080 ( -2.670 4.322 -1.226) 5.226 15.798 ( -1.043 -5.127 0.350) 5.244 16.162 ( -8.929 2.720 2.812) 9.748 16.824 ( -3.886 -6.000 7.300) 10.217 22.219 ( -0.718 4.544 2.366) 5.173 22.590 ( 2.047 1.919 -1.684) 3.273 22.845 ( -4.478 -1.556 6.385) 7.952 23.129 ( -8.503 -3.048 -7.149) 11.520 23.926 ( -2.402 0.086 -1.154) 2.666 23.982 ( -3.392 -0.807 -1.419) 3.764 24.298 ( 6.377 -0.452 2.755) 6.961 24.342 ( 7.896 -1.308 4.791) 9.328 24.744 ( 0.227 4.362 -3.911) 5.863 25.171 ( -5.127 -1.587 0.211) 5.371 25.286 ( 10.621 -1.685 6.806) 12.727 25.503 ( 3.799 -3.560 -6.309) 8.180 25.755 ( 9.107 7.468 0.043) 11.778 25.957 ( 1.711 3.366 2.700) 4.642 26.370 ( -2.215 -0.919 -1.192) 2.678 26.789 ( 2.412 -7.168 -4.156) 8.630 ======================= Grid point 92 (40/136) ======================= q-point: ( 0.36 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -12.443 7.820 26.427) 30.238 2.010 ( -1.094 11.013 -11.491) 15.953 2.776 ( 13.950 8.248 11.593) 19.926 3.217 ( 17.362 0.583 -12.979) 21.685 3.405 ( -3.119 -11.154 0.569) 11.596 3.595 ( -1.258 -1.991 9.240) 9.535 3.939 ( -2.685 -1.697 -0.560) 3.225 3.995 ( -4.595 -16.199 -0.097) 16.838 4.118 ( -11.229 7.721 -5.928) 14.861 4.456 ( 6.918 3.772 -6.706) 10.347 4.856 ( 11.678 13.438 4.750) 18.426 4.903 ( 11.298 -5.144 4.513) 13.208 5.194 ( 10.415 7.353 -2.746) 13.041 5.384 ( 4.723 -3.097 -2.974) 6.383 5.475 ( 16.931 -1.759 6.173) 18.107 5.509 ( -6.678 -6.744 -0.482) 9.503 5.737 ( 1.606 5.920 8.610) 10.572 5.835 ( 22.334 1.209 -0.872) 22.384 5.939 ( 6.606 3.788 0.852) 7.662 6.260 ( 0.651 -6.115 -8.118) 10.185 6.335 ( 6.895 -4.348 4.860) 9.491 6.767 ( 4.171 1.714 -8.592) 9.703 6.841 ( -2.026 2.604 3.354) 4.705 7.389 ( -10.179 -4.985 -3.060) 11.740 7.658 ( -1.434 3.063 9.753) 10.323 7.812 ( -1.117 -1.107 2.447) 2.909 7.892 ( -4.447 1.114 -5.374) 7.064 7.994 ( -4.324 -0.164 -1.171) 4.483 8.035 ( -5.806 1.439 -0.113) 5.983 8.430 ( -8.052 -1.561 -3.626) 8.968 8.644 ( -3.399 4.550 -0.758) 5.730 8.668 ( -7.348 5.072 -4.321) 9.920 9.035 ( 1.707 2.717 -6.068) 6.864 9.579 ( 5.988 -1.634 -2.770) 6.797 9.966 ( -2.944 -11.472 1.863) 11.989 10.071 ( 0.754 3.897 -3.967) 5.612 10.208 ( 10.215 -5.348 11.315) 16.154 10.372 ( 3.417 -1.919 -0.095) 3.920 10.493 ( 4.620 3.555 -8.481) 10.291 10.721 ( 2.184 -7.463 -0.419) 7.787 11.002 ( 6.406 -11.083 4.843) 13.687 11.242 ( 5.761 -6.822 -1.016) 8.987 11.431 ( -9.723 -0.451 -2.652) 10.088 11.592 ( -7.959 6.705 3.801) 11.079 11.851 ( 0.866 -4.383 0.920) 4.561 12.155 ( 4.459 3.150 -10.142) 11.518 12.560 ( 0.646 -5.689 6.104) 8.369 12.724 ( 1.604 10.077 -4.809) 11.281 13.060 ( -5.023 1.263 -1.026) 5.280 13.082 ( -2.165 7.020 7.212) 10.294 13.469 ( 6.743 -3.277 3.462) 8.258 13.818 ( -4.043 10.736 -0.630) 11.489 13.992 ( -4.247 1.753 -9.673) 10.708 14.147 ( -2.952 2.886 0.123) 4.130 14.168 ( -4.195 0.953 4.468) 6.203 14.610 ( 1.202 -2.336 2.300) 3.492 14.841 ( -1.094 -0.347 1.402) 1.812 15.010 ( -0.314 5.214 -0.407) 5.239 15.117 ( 6.691 -2.787 1.697) 7.444 15.772 ( -0.999 -7.136 -1.761) 7.417 16.053 ( -5.854 5.470 0.744) 8.047 16.785 ( -6.216 -6.804 2.881) 9.655 22.234 ( -0.699 4.311 2.737) 5.155 22.616 ( 2.763 1.320 -1.427) 3.379 22.826 ( -4.433 -3.469 4.605) 7.273 22.942 ( -5.746 -2.221 -4.784) 7.800 23.885 ( -1.617 0.079 0.016) 1.619 23.927 ( -1.700 -0.586 -0.519) 1.871 24.434 ( 5.951 -1.466 2.957) 6.805 24.494 ( 4.374 -4.238 0.990) 6.170 24.737 ( 2.144 7.011 0.910) 7.388 25.017 ( -7.098 1.229 -5.521) 9.076 25.488 ( 3.877 -3.414 -7.924) 9.460 25.538 ( 5.932 -7.228 7.820) 12.190 25.903 ( 6.508 9.271 1.948) 11.494 26.012 ( 0.855 3.946 3.907) 5.619 26.338 ( -0.452 -0.558 -0.768) 1.051 26.780 ( 1.917 -5.373 -4.304) 7.146 ======================= Grid point 93 (41/136) ======================= q-point: ( 0.45 0.17 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( -14.025 7.057 17.902) 23.811 2.053 ( 6.102 11.247 8.922) 15.599 3.005 ( 0.698 8.122 4.706) 9.413 3.315 ( 3.691 -10.626 -8.788) 14.274 3.444 ( 9.624 -3.085 3.254) 10.618 3.583 ( -10.150 1.093 -2.150) 10.432 3.817 ( -2.961 -4.784 -6.153) 8.337 3.923 ( 2.433 8.983 9.120) 13.031 4.109 ( 1.524 -12.865 8.314) 15.394 4.535 ( 6.664 1.151 -0.324) 6.771 4.939 ( -1.019 10.435 -3.735) 11.130 5.060 ( -1.263 -2.783 -0.433) 3.087 5.264 ( 1.803 -7.659 4.959) 9.301 5.347 ( 2.959 7.019 -3.365) 8.328 5.525 ( -0.586 -6.175 4.803) 7.845 5.606 ( -5.044 -0.898 2.474) 5.689 5.732 ( -1.816 4.574 2.142) 5.367 5.910 ( 0.491 8.725 4.372) 9.771 6.290 ( 9.944 -1.363 -4.456) 10.981 6.432 ( 15.607 -0.453 1.803) 15.718 6.497 ( 10.802 -3.980 -4.223) 12.262 6.756 ( 2.095 0.596 -6.693) 7.039 6.827 ( -1.303 0.963 0.173) 1.629 7.251 ( -0.653 -2.300 -5.479) 5.979 7.649 ( -4.053 3.316 2.314) 5.725 7.780 ( -1.257 -5.053 0.568) 5.238 7.869 ( -9.407 -1.776 2.472) 9.887 7.921 ( 0.164 -0.862 10.153) 10.190 7.993 ( -1.314 5.255 1.521) 5.626 8.256 ( -5.665 0.743 -2.061) 6.074 8.534 ( 2.822 10.908 -8.915) 14.368 8.623 ( -1.211 -0.076 1.133) 1.660 9.018 ( 3.267 3.451 -4.984) 6.886 9.630 ( 2.889 -7.035 -6.678) 10.121 9.954 ( -1.401 -12.930 9.145) 15.899 10.035 ( 3.895 4.485 -11.744) 13.161 10.299 ( -5.754 -0.232 -7.178) 9.202 10.426 ( -4.105 3.449 0.753) 5.414 10.494 ( 7.410 1.398 -0.669) 7.571 10.736 ( 2.250 -12.709 3.324) 13.328 11.163 ( 7.517 -10.709 -2.250) 13.276 11.220 ( -11.627 -2.233 4.294) 12.594 11.326 ( 8.789 -10.156 -6.189) 14.788 11.523 ( -4.127 8.996 -1.560) 10.019 11.793 ( -8.175 -13.140 2.303) 15.646 12.209 ( 8.610 14.402 -1.179) 16.821 12.580 ( -2.169 -0.790 -1.635) 2.829 12.742 ( 6.027 14.528 -5.879) 16.792 12.935 ( -8.044 2.639 5.915) 10.328 13.147 ( -1.211 1.202 4.362) 4.684 13.580 ( 0.922 -0.333 -0.889) 1.323 13.741 ( -6.411 4.644 -9.383) 12.277 13.878 ( 7.663 2.411 6.738) 10.485 14.146 ( -1.522 -1.210 3.989) 4.438 14.202 ( -0.826 2.422 9.512) 9.850 14.638 ( 0.361 -3.588 0.311) 3.620 14.842 ( -0.506 0.058 1.344) 1.437 14.985 ( -0.185 7.347 -3.588) 8.179 15.252 ( 3.293 -4.398 8.067) 9.760 15.737 ( -0.036 -6.732 -3.140) 7.428 15.974 ( -3.036 6.025 -1.678) 6.952 16.690 ( -4.651 -6.596 -2.318) 8.397 22.247 ( -1.139 3.874 3.048) 5.060 22.642 ( 1.546 1.544 -2.240) 3.129 22.788 ( -3.596 -4.628 2.613) 6.417 22.863 ( 0.352 -1.717 -0.972) 2.004 23.876 ( -0.136 0.085 1.424) 1.433 23.916 ( 0.030 -0.546 1.065) 1.197 24.490 ( -1.559 -1.906 -3.563) 4.331 24.545 ( 3.011 -3.690 1.569) 5.014 24.778 ( -3.185 5.065 -1.758) 6.236 24.911 ( 3.089 2.323 1.035) 4.001 25.444 ( 0.862 -2.340 -7.851) 8.238 25.658 ( 1.996 -7.501 2.306) 8.098 26.005 ( 1.469 8.695 4.439) 9.873 26.053 ( -1.006 4.053 3.804) 5.648 26.333 ( -0.025 -0.553 0.040) 0.555 26.779 ( 2.765 -4.688 -3.662) 6.560 ======================= Grid point 94 (42/136) ======================= q-point: (-0.45 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( -17.726 7.484 17.141) 25.768 2.347 ( 11.560 9.077 14.899) 20.929 2.860 ( -17.899 10.636 -0.634) 20.830 3.309 ( 1.498 -6.413 1.364) 6.726 3.421 ( -1.841 -5.848 -2.226) 6.523 3.675 ( 2.269 -7.675 -8.391) 11.596 3.688 ( 6.049 0.292 4.839) 7.751 4.125 ( 3.588 -4.507 8.265) 10.075 4.318 ( 9.551 -0.126 13.830) 16.808 4.620 ( 0.705 3.495 -1.477) 3.859 4.888 ( 0.032 3.211 0.875) 3.328 4.942 ( -6.099 -0.885 -1.339) 6.307 5.109 ( -13.059 3.445 -12.897) 18.675 5.402 ( -6.272 -4.054 -0.085) 7.469 5.511 ( 9.064 -5.195 7.369) 12.785 5.698 ( 3.386 0.162 10.124) 10.677 5.794 ( -1.470 2.669 -4.047) 5.066 5.942 ( -4.632 9.837 11.416) 15.766 6.242 ( -12.997 2.000 -4.396) 13.865 6.381 ( -6.588 -0.411 -10.989) 12.819 6.444 ( -9.825 0.089 3.006) 10.275 6.783 ( -1.393 -6.206 -3.642) 7.330 6.835 ( 2.138 2.602 -3.053) 4.545 7.240 ( 5.691 1.500 -4.436) 7.370 7.598 ( -4.531 -0.201 5.358) 7.020 7.790 ( 2.157 -2.062 -3.309) 4.456 7.834 ( -2.070 -7.289 4.768) 8.952 7.941 ( 2.477 6.343 2.059) 7.113 8.086 ( 3.843 -2.269 5.791) 7.311 8.266 ( 7.730 1.718 -1.111) 7.996 8.561 ( 6.493 6.198 -6.250) 10.938 8.655 ( 4.349 5.078 3.290) 7.451 9.058 ( 5.956 2.899 -3.018) 7.278 9.536 ( -2.855 -8.459 -10.090) 13.473 9.901 ( -3.237 -0.583 -12.763) 13.180 10.104 ( 1.169 -4.947 6.847) 8.527 10.140 ( 2.091 3.182 -3.753) 5.346 10.346 ( -6.350 2.888 0.840) 7.026 10.519 ( 2.226 3.313 -7.093) 8.139 10.774 ( -4.593 -13.687 1.705) 14.537 11.101 ( -2.629 1.615 0.213) 3.093 11.228 ( -6.484 -1.607 1.413) 6.828 11.369 ( 3.469 -11.141 -4.232) 12.412 11.497 ( 8.274 -8.690 -4.041) 12.661 11.723 ( -2.477 -13.342 4.728) 14.370 12.285 ( 0.289 9.009 -4.650) 10.142 12.554 ( 0.208 5.600 2.039) 5.963 12.719 ( 1.729 16.103 -10.380) 19.237 12.933 ( -2.022 5.549 7.365) 9.440 13.112 ( -4.807 2.957 3.334) 6.555 13.524 ( -2.932 -1.874 -1.530) 3.801 13.655 ( 3.395 4.450 -5.040) 7.532 14.114 ( 3.756 -2.268 8.664) 9.711 14.168 ( 0.873 -1.034 6.673) 6.809 14.338 ( 4.506 2.171 11.596) 12.629 14.627 ( -1.371 -3.009 -0.704) 3.381 14.843 ( 0.217 0.825 -0.953) 1.279 14.940 ( -0.438 5.730 -3.055) 6.508 15.393 ( 1.019 -4.240 12.305) 13.055 15.706 ( 0.605 -5.323 -4.525) 7.013 15.916 ( -0.588 5.773 -3.002) 6.533 16.596 ( -0.991 -5.770 -6.393) 8.669 22.255 ( -1.713 3.354 3.314) 5.016 22.623 ( -0.083 1.692 -2.514) 3.032 22.750 ( -3.091 -3.392 0.756) 4.651 22.941 ( 7.659 -2.532 1.795) 8.264 23.909 ( 1.353 0.051 2.830) 3.138 23.943 ( 1.191 -0.522 1.915) 2.315 24.411 ( -3.174 -0.349 -3.003) 4.383 24.487 ( -6.809 -1.847 -4.644) 8.446 24.762 ( 2.981 2.607 1.784) 4.343 25.001 ( 3.411 -0.674 -1.008) 3.620 25.380 ( -1.133 0.026 -2.957) 3.167 25.665 ( -0.766 -4.854 -2.673) 5.594 26.027 ( -4.097 5.762 3.892) 8.071 26.053 ( -3.580 4.927 4.664) 7.671 26.335 ( 0.155 -0.718 0.339) 0.809 26.802 ( 3.533 -5.466 -2.693) 7.044 ======================= Grid point 95 (43/136) ======================= q-point: (-0.36 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -20.031 9.526 12.405) 25.414 2.335 ( -24.806 15.263 -1.771) 29.179 2.827 ( 10.199 0.107 14.970) 18.115 3.350 ( -1.499 -7.178 -2.560) 7.767 3.455 ( 1.474 -8.650 8.042) 11.902 3.579 ( 3.352 1.166 -3.185) 4.769 3.923 ( 5.583 -6.932 8.621) 12.391 4.129 ( -11.406 -4.247 2.341) 12.394 4.462 ( -10.728 3.737 -8.647) 14.277 4.573 ( 6.193 7.085 3.773) 10.138 4.698 ( -6.453 3.540 -12.818) 14.781 4.931 ( -3.974 2.828 9.541) 10.716 5.067 ( 1.819 -7.791 8.648) 11.781 5.252 ( -12.169 3.690 0.277) 12.719 5.511 ( -14.837 1.877 -0.608) 14.967 5.684 ( -1.795 0.152 2.632) 3.190 5.742 ( -19.914 2.793 -0.671) 20.120 5.839 ( -16.778 3.963 0.344) 17.244 5.954 ( -2.620 -2.065 4.914) 5.939 6.250 ( -1.872 -0.306 -6.712) 6.975 6.359 ( 3.270 -2.981 6.880) 8.180 6.707 ( -2.818 -10.184 -3.537) 11.143 6.831 ( 6.516 7.629 -5.528) 11.455 7.331 ( 7.188 1.135 -1.088) 7.358 7.604 ( -1.671 3.700 1.823) 4.450 7.803 ( 4.003 -0.798 -5.386) 6.758 7.836 ( -0.119 -2.352 7.089) 7.470 8.055 ( 6.462 2.942 -0.977) 7.167 8.178 ( 3.491 -7.995 0.369) 8.731 8.417 ( 7.921 -2.572 -1.192) 8.412 8.568 ( 0.421 4.475 -2.869) 5.332 8.841 ( 10.802 8.039 3.472) 13.906 9.145 ( 6.198 0.760 -1.332) 6.385 9.354 ( -2.875 -1.061 -14.989) 15.299 9.759 ( -2.977 -1.655 -2.620) 4.297 10.050 ( -2.158 10.227 -6.444) 12.279 10.245 ( -3.019 -4.329 3.261) 6.204 10.308 ( 7.135 -3.528 1.899) 8.183 10.504 ( 3.159 2.166 -2.907) 4.808 10.666 ( -7.119 -7.807 0.205) 10.568 10.968 ( -10.476 1.817 -5.781) 12.102 11.077 ( -14.017 0.280 10.237) 17.359 11.438 ( 9.224 -15.686 -7.264) 19.593 11.633 ( 8.905 -10.181 -1.634) 13.624 11.788 ( 3.572 -12.347 2.450) 13.085 12.139 ( -7.704 -3.497 -8.065) 11.689 12.543 ( -5.034 18.516 -2.702) 19.377 12.640 ( 0.525 6.412 -2.250) 6.816 13.021 ( 4.418 8.308 6.076) 11.201 13.129 ( 4.060 5.479 1.662) 7.018 13.477 ( -2.478 -2.934 0.006) 3.840 13.677 ( 4.015 5.861 -4.349) 8.330 14.130 ( -4.761 -1.984 5.433) 7.491 14.322 ( 1.482 -1.293 10.606) 10.787 14.527 ( 3.734 -0.537 5.923) 7.023 14.584 ( -2.207 -0.644 0.341) 2.324 14.852 ( 5.132 1.331 -3.383) 6.289 14.932 ( 0.608 2.988 1.122) 3.249 15.509 ( -2.167 -4.858 11.219) 12.416 15.655 ( -0.060 -2.647 -6.851) 7.344 15.929 ( 3.628 4.836 2.596) 6.580 16.531 ( 2.023 -4.157 -8.287) 9.489 22.256 ( -2.144 2.903 3.539) 5.055 22.605 ( 0.360 2.212 -1.379) 2.632 22.702 ( -1.940 -1.018 -1.459) 2.632 23.132 ( 11.362 -3.528 2.804) 12.223 23.968 ( 1.753 -0.379 2.792) 3.318 23.984 ( 1.449 -0.555 1.214) 1.970 24.315 ( -6.420 0.223 -3.604) 7.366 24.341 ( -3.545 0.195 0.103) 3.552 24.844 ( 2.723 0.370 3.270) 4.271 24.960 ( -2.532 -1.311 -7.713) 8.223 25.374 ( -0.355 1.623 3.767) 4.117 25.583 ( -3.195 -1.555 -6.867) 7.732 25.969 ( -6.556 3.908 3.949) 8.594 26.015 ( -6.061 4.614 4.141) 8.671 26.352 ( 1.439 -1.377 0.649) 2.095 26.834 ( 2.858 -7.804 -2.561) 8.697 ======================= Grid point 96 (44/136) ======================= q-point: (-0.27 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -21.678 13.121 7.825) 26.520 1.851 ( -27.734 18.685 -1.174) 33.462 3.058 ( -6.098 -9.807 -1.179) 11.608 3.174 ( -10.754 -7.104 4.081) 13.519 3.567 ( 2.008 2.070 8.481) 8.958 3.726 ( -1.161 4.416 3.354) 5.665 3.741 ( -14.962 -0.980 4.187) 15.568 4.037 ( -8.186 -5.087 -5.099) 10.904 4.154 ( -11.972 -1.251 0.320) 12.042 4.548 ( 1.836 3.550 -9.949) 10.722 4.619 ( -30.428 -0.375 2.233) 30.512 4.714 ( -14.653 -7.580 7.725) 18.216 4.898 ( -13.863 8.506 2.321) 16.429 5.121 ( -5.302 10.958 6.504) 13.801 5.354 ( -13.492 3.845 1.542) 14.114 5.455 ( -15.085 -0.209 -7.361) 16.786 5.643 ( 4.610 -2.535 -2.072) 5.655 5.721 ( 4.694 2.958 10.119) 11.540 5.931 ( 0.252 -7.648 2.206) 7.963 6.209 ( 4.979 -1.365 -5.346) 7.432 6.626 ( -2.539 -12.841 -2.593) 13.344 6.685 ( 17.747 -3.322 10.233) 20.754 6.955 ( 12.955 9.947 -5.405) 17.205 7.428 ( 5.517 1.493 -2.864) 6.393 7.571 ( -0.367 3.187 -1.457) 3.523 7.798 ( 3.099 -1.121 -7.806) 8.473 7.966 ( 3.827 -2.081 7.381) 8.571 8.107 ( 1.374 4.015 -4.524) 6.203 8.243 ( 5.318 -11.536 -0.013) 12.703 8.480 ( 2.094 -3.722 -3.477) 5.507 8.510 ( -3.492 5.613 0.321) 6.618 9.026 ( 6.301 5.766 -0.140) 8.542 9.169 ( -0.741 1.815 -7.933) 8.172 9.259 ( 6.945 2.725 -2.010) 7.727 9.721 ( -0.486 1.616 -1.384) 2.182 9.908 ( -6.384 11.683 -4.403) 14.022 10.255 ( 2.544 -2.901 -3.974) 5.539 10.424 ( -3.416 -3.804 6.562) 8.319 10.562 ( 4.879 -5.028 -1.625) 7.192 10.595 ( -1.098 -4.982 5.033) 7.166 10.738 ( -7.651 -2.460 -3.422) 8.735 10.946 ( -14.906 2.449 13.479) 20.245 11.516 ( 9.644 -5.387 -9.486) 14.560 11.665 ( -1.972 -11.921 -13.508) 18.123 11.775 ( -4.870 -7.062 -1.288) 8.675 12.019 ( 0.464 -9.389 3.812) 10.144 12.437 ( -1.908 10.257 -3.523) 11.012 12.639 ( 1.195 2.462 -3.009) 4.067 13.156 ( 3.948 7.764 5.038) 10.062 13.266 ( 10.052 6.672 -2.115) 12.249 13.436 ( -1.896 -0.359 1.674) 2.555 13.704 ( 3.543 6.568 -2.556) 7.888 14.079 ( -6.035 -2.015 2.743) 6.929 14.366 ( -5.391 -1.648 3.665) 6.724 14.528 ( -2.756 -0.567 3.301) 4.338 14.634 ( 2.096 0.077 2.665) 3.391 14.929 ( 3.643 -0.790 -1.070) 3.878 14.999 ( 6.284 1.431 1.432) 6.602 15.530 ( -2.830 -3.042 1.860) 4.552 15.582 ( 0.388 -0.286 -6.511) 6.529 16.108 ( 5.448 2.230 16.556) 17.571 16.503 ( 3.969 -1.092 -6.425) 7.631 22.252 ( -2.404 2.643 3.482) 4.989 22.616 ( 1.272 2.214 1.398) 2.911 22.659 ( 0.115 3.855 -3.468) 5.186 23.368 ( 13.013 -4.360 1.952) 13.862 23.998 ( 0.436 -0.948 -0.735) 1.276 24.008 ( 0.285 -0.618 -0.380) 0.779 24.200 ( -4.328 0.989 -0.565) 4.475 24.327 ( -2.420 -1.124 6.896) 7.394 24.802 ( -5.818 2.324 -6.315) 8.896 24.917 ( 1.010 0.114 4.080) 4.205 25.412 ( -0.402 0.824 3.609) 3.723 25.425 ( -4.615 1.410 -10.257) 11.335 25.896 ( -7.078 2.329 4.959) 8.950 25.943 ( -5.614 4.165 2.163) 7.317 26.396 ( 2.521 -2.529 1.270) 3.790 26.829 ( 0.089 -12.148 -4.888) 13.095 ======================= Grid point 97 (45/136) ======================= q-point: (-0.18 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -20.824 19.027 6.252) 28.892 1.403 ( -25.059 23.468 3.280) 34.489 2.423 ( -49.125 12.968 -2.423) 50.866 3.178 ( -7.982 -17.553 9.097) 21.321 3.407 ( -15.321 -4.674 -2.449) 16.204 3.587 ( -18.978 -0.920 4.274) 19.475 3.687 ( -19.628 0.849 -6.095) 20.570 3.855 ( -2.853 -1.118 1.391) 3.365 3.939 ( -18.570 -8.951 -0.072) 20.615 4.087 ( -5.249 4.915 2.723) 7.689 4.492 ( -10.284 6.206 4.716) 12.904 4.601 ( 0.032 3.094 -0.545) 3.142 4.740 ( -15.056 0.906 0.818) 15.106 5.056 ( -8.948 6.756 -4.401) 12.044 5.122 ( -4.126 1.052 -2.807) 5.101 5.273 ( -0.701 6.343 3.112) 7.100 5.739 ( 7.260 -3.914 6.000) 10.199 6.014 ( 9.800 -0.381 5.677) 11.332 6.045 ( 10.910 -10.573 0.811) 15.214 6.265 ( 7.232 -3.662 -7.846) 11.281 6.601 ( 1.873 -9.267 1.681) 9.603 7.019 ( 10.609 3.442 -0.298) 11.158 7.132 ( 10.322 7.589 4.565) 13.601 7.451 ( 3.640 2.185 -5.612) 7.037 7.612 ( 4.478 -3.536 -1.322) 5.857 7.740 ( -1.068 -4.897 -8.745) 10.079 7.998 ( -0.566 4.619 -5.036) 6.857 8.086 ( 2.365 0.662 -0.770) 2.574 8.314 ( 0.659 -0.748 1.335) 1.667 8.471 ( 6.517 -2.856 0.771) 7.156 8.568 ( 3.220 -2.872 4.351) 6.128 9.033 ( -1.242 2.776 -2.840) 4.161 9.120 ( 2.654 2.128 -5.848) 6.765 9.368 ( 3.373 1.441 -0.710) 3.736 9.719 ( 3.631 5.053 -0.967) 6.297 9.785 ( -6.036 10.899 1.117) 12.509 10.203 ( -3.678 -0.586 -3.772) 5.301 10.272 ( -14.729 0.605 1.511) 14.819 10.565 ( -5.872 -9.109 -0.969) 10.881 10.628 ( -0.840 -5.479 1.936) 5.871 10.700 ( -1.241 -4.758 1.601) 5.172 10.942 ( -0.814 0.923 13.165) 13.222 11.305 ( -13.744 -9.242 -19.759) 25.782 11.571 ( 3.348 3.592 -3.726) 6.164 11.762 ( 3.965 -10.037 -0.873) 10.827 12.084 ( 0.992 -10.177 1.265) 10.303 12.359 ( -6.592 5.954 -0.489) 8.897 12.650 ( 9.619 2.098 -10.728) 14.560 13.221 ( -0.931 4.472 1.406) 4.779 13.330 ( 0.225 2.134 0.375) 2.178 13.534 ( 8.820 5.685 2.374) 10.759 13.757 ( 3.813 7.552 0.261) 8.464 13.987 ( -4.937 -1.834 -1.545) 5.489 14.267 ( -6.053 -3.144 -1.139) 6.915 14.517 ( -4.594 0.193 6.330) 7.823 14.673 ( -0.840 -2.251 2.189) 3.250 14.955 ( 2.515 -0.345 -4.264) 4.963 15.113 ( 5.378 -2.505 -0.126) 5.935 15.475 ( 1.075 1.364 -6.923) 7.138 15.570 ( 2.108 3.058 -0.573) 3.758 16.340 ( 1.629 -3.835 8.469) 9.439 16.646 ( 11.250 2.076 18.502) 21.753 22.244 ( -2.386 2.812 3.069) 4.797 22.619 ( -0.496 -0.238 -1.600) 1.692 22.726 ( 9.053 13.739 3.024) 16.729 23.594 ( 12.343 -4.593 -1.538) 13.259 23.982 ( -0.749 -0.470 -1.480) 1.724 23.998 ( 0.341 -0.749 -0.422) 0.925 24.144 ( -3.085 0.773 1.172) 3.389 24.364 ( -3.270 -5.040 7.363) 9.503 24.677 ( -5.014 7.998 2.773) 9.838 24.974 ( 0.590 0.193 4.878) 4.918 25.225 ( -3.904 3.249 -13.275) 14.214 25.433 ( -0.955 -0.623 1.828) 2.154 25.825 ( -6.815 0.904 4.467) 8.199 25.881 ( -3.445 4.043 1.540) 5.531 26.456 ( 2.431 -3.617 1.620) 4.649 26.693 ( -8.192 -18.953 -12.230) 23.997 ======================= Grid point 98 (46/136) ======================= q-point: (-0.09 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -17.642 24.719 2.638) 30.483 1.084 ( -21.447 25.510 14.550) 36.365 1.638 ( -42.263 30.582 19.297) 55.622 2.914 ( -29.943 -5.326 0.503) 30.417 3.103 ( -14.207 -6.597 -4.117) 16.196 3.231 ( -11.482 -8.958 -2.486) 14.773 3.340 ( -11.004 -7.363 3.215) 13.625 3.671 ( -5.545 -4.671 -11.396) 13.506 3.941 ( -0.455 -6.177 3.991) 7.368 4.103 ( -2.556 8.758 5.845) 10.835 4.370 ( -7.683 7.993 -1.181) 11.150 4.510 ( -4.063 2.344 -0.811) 4.760 4.603 ( -0.982 2.309 -1.224) 2.792 4.963 ( 0.431 6.586 -2.290) 6.986 5.062 ( -2.159 -0.035 2.911) 3.625 5.334 ( 3.634 5.917 -0.110) 6.945 5.905 ( 1.263 -4.733 0.758) 4.957 6.113 ( 1.622 -3.674 -0.677) 4.072 6.211 ( 7.159 -11.961 -3.734) 14.431 6.303 ( 7.743 -9.217 -5.139) 13.089 6.734 ( 6.352 -0.541 6.718) 9.262 7.067 ( 2.615 8.939 -4.100) 10.176 7.383 ( 8.200 2.545 6.273) 10.633 7.441 ( -0.088 -0.898 -5.068) 5.148 7.594 ( -4.138 -1.559 -4.379) 6.223 7.647 ( 3.153 -1.704 3.339) 4.898 7.996 ( -10.072 1.281 -1.735) 10.300 8.098 ( 13.787 7.036 -6.917) 16.954 8.396 ( 7.667 -1.906 1.122) 7.980 8.636 ( 7.049 -5.929 -0.229) 9.214 8.782 ( 15.980 -4.920 17.053) 23.882 8.961 ( -4.266 2.300 0.048) 4.846 9.153 ( 5.645 -0.317 -3.410) 6.603 9.366 ( -1.053 0.421 1.359) 1.770 9.721 ( -3.077 8.378 2.390) 9.240 9.786 ( 0.841 -1.700 -0.238) 1.911 10.012 ( -12.148 1.741 -3.057) 12.647 10.113 ( -3.509 4.751 1.205) 6.028 10.416 ( -15.799 -8.688 -6.084) 19.029 10.543 ( 0.816 -3.473 -12.117) 12.631 10.641 ( -19.046 -2.371 7.354) 20.554 10.726 ( -5.197 -2.449 -5.429) 7.904 11.183 ( -0.197 0.421 4.665) 4.688 11.628 ( 1.771 -8.361 5.563) 10.198 11.854 ( 11.097 2.081 -5.750) 12.671 12.041 ( -6.084 -7.428 0.712) 9.628 12.251 ( -2.017 10.666 -1.382) 10.942 12.759 ( 13.831 4.662 -9.359) 17.338 13.172 ( -5.822 4.988 1.449) 7.803 13.333 ( -1.608 0.998 2.808) 3.386 13.678 ( 4.685 3.581 -0.378) 5.909 13.800 ( -1.172 5.786 1.219) 6.028 13.918 ( 1.747 -0.511 -3.415) 3.870 14.174 ( -2.011 -4.781 -2.407) 5.718 14.494 ( -6.041 -0.181 7.353) 9.518 14.648 ( -4.072 -2.988 1.700) 5.329 14.916 ( 1.821 1.735 -10.740) 11.030 15.181 ( 2.650 -4.010 0.159) 4.809 15.466 ( 4.373 2.257 -3.173) 5.856 15.615 ( 2.756 9.231 -1.310) 9.722 16.382 ( 0.104 -3.407 1.581) 3.758 17.127 ( 10.239 -16.076 22.068) 29.160 22.234 ( -2.077 3.350 2.711) 4.784 22.602 ( 0.724 1.528 -2.121) 2.712 23.023 ( 20.897 16.528 0.464) 26.647 23.725 ( 7.533 -3.792 -7.366) 11.197 23.967 ( 0.055 0.114 0.474) 0.491 24.020 ( 1.171 -0.532 -0.114) 1.291 24.125 ( -0.683 -0.421 4.006) 4.086 24.335 ( -3.918 -4.152 0.684) 5.750 24.677 ( -4.243 5.950 0.663) 7.338 25.030 ( 0.098 1.180 3.060) 3.281 25.101 ( 3.633 2.768 0.685) 4.618 25.396 ( -5.377 -4.406 -0.949) 7.016 25.750 ( -5.660 -0.107 1.403) 5.833 25.834 ( -5.322 1.389 -1.762) 5.775 26.258 ( -20.269 -13.388 -10.761) 26.569 26.512 ( 0.662 -3.972 2.332) 4.653 ======================= Grid point 99 (47/136) ======================= q-point: ( 0.00 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 5.765 25.734 5.793) 27.001 1.542 ( -4.653 22.765 16.358) 28.416 2.100 ( -2.607 7.596 15.528) 17.482 2.476 ( -6.840 -2.615 0.906) 7.379 2.843 ( 2.186 -5.744 4.714) 7.746 2.933 ( 4.056 -4.846 2.944) 6.971 3.197 ( -4.572 6.795 3.485) 8.900 3.510 ( 2.738 5.703 -18.405) 19.462 3.822 ( 1.412 -7.446 -3.303) 8.267 4.063 ( -2.356 -12.549 -2.358) 12.984 4.307 ( -6.708 6.444 -0.818) 9.338 4.465 ( -2.001 -0.956 -1.421) 2.634 4.832 ( 2.933 10.868 2.033) 11.439 5.072 ( 3.643 1.899 -4.272) 5.927 5.213 ( 2.412 11.474 4.365) 12.511 5.436 ( -0.340 -0.165 -0.136) 0.402 5.609 ( -7.279 -7.870 -10.862) 15.261 5.855 ( -1.610 -16.288 -2.202) 16.515 6.078 ( -2.052 0.074 -0.460) 2.104 6.293 ( 6.988 -7.788 7.533) 12.893 6.876 ( -6.115 6.400 -2.315) 9.150 7.228 ( -1.804 2.795 -7.995) 8.659 7.251 ( -1.229 -3.663 0.193) 3.868 7.466 ( 3.019 -6.142 -2.173) 7.181 7.640 ( 5.037 3.482 7.200) 9.452 7.757 ( 3.868 -2.009 7.422) 8.607 8.012 ( 2.516 7.930 -0.171) 8.321 8.250 ( -0.915 1.779 -4.449) 4.878 8.416 ( 2.612 -4.127 1.587) 5.136 8.560 ( -1.950 -4.968 -5.004) 7.316 8.843 ( -7.270 -2.152 4.102) 8.620 8.954 ( 4.733 -8.142 5.825) 11.074 9.190 ( -0.625 6.346 1.140) 6.478 9.496 ( 5.014 -2.205 0.107) 5.478 9.721 ( 3.812 3.445 -3.673) 6.316 9.804 ( -0.945 3.703 3.287) 5.041 9.897 ( -1.222 0.077 -1.486) 1.925 10.100 ( 1.333 -8.105 -3.779) 9.042 10.262 ( 6.657 4.750 1.909) 8.398 10.443 ( -3.504 -1.404 -2.761) 4.677 10.567 ( 1.264 3.000 -3.892) 5.074 10.745 ( 5.115 -0.017 2.269) 5.595 11.164 ( -0.488 -0.267 1.195) 1.318 11.374 ( -7.395 -9.112 1.030) 11.780 11.920 ( -3.065 -0.108 5.561) 6.351 12.077 ( 8.099 -5.604 5.385) 11.225 12.430 ( -0.313 8.811 -0.808) 8.854 12.796 ( 2.795 -7.960 -4.119) 9.388 13.308 ( 1.092 8.316 0.118) 8.388 13.352 ( -0.732 2.090 -0.314) 2.237 13.752 ( 0.681 3.474 -1.655) 3.908 13.792 ( -4.495 2.905 -0.232) 5.357 14.006 ( 3.414 0.505 0.739) 3.530 14.052 ( 0.209 -3.778 -1.304) 4.002 14.458 ( -2.474 0.952 3.151) 4.118 14.569 ( -5.129 -1.986 6.177) 8.271 14.928 ( 2.261 4.669 -8.387) 9.861 15.114 ( 1.664 -5.095 -2.868) 6.079 15.604 ( 2.650 4.218 1.950) 5.350 15.742 ( -0.289 0.550 1.772) 1.878 16.413 ( -2.116 6.818 0.150) 7.140 16.858 ( -7.650 -11.999 -0.185) 14.231 22.328 ( -1.649 6.088 2.969) 6.971 22.564 ( -0.733 -4.314 2.323) 4.954 23.357 ( -0.521 8.454 -12.237) 14.882 23.620 ( 0.653 -5.320 -9.657) 11.044 23.976 ( -0.926 0.654 0.288) 1.170 24.006 ( -0.756 -0.618 -0.272) 1.013 24.153 ( -1.356 1.387 1.813) 2.656 24.239 ( -1.388 -2.414 0.388) 2.811 24.660 ( -3.638 9.689 -1.812) 10.507 24.925 ( -5.022 -3.566 -0.860) 6.219 25.290 ( 3.462 0.162 1.797) 3.904 25.304 ( 7.453 -1.398 4.574) 8.856 25.668 ( -1.116 0.350 -3.039) 3.256 25.717 ( 0.802 -1.284 -2.995) 3.356 26.232 ( 3.284 1.709 9.079) 9.805 26.433 ( -0.591 -5.906 3.026) 6.662 ======================= Grid point 100 (48/136) ======================= q-point: ( 0.09 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 21.433 17.602 11.372) 29.975 1.714 ( 5.764 17.555 17.797) 25.654 2.408 ( 18.706 -0.886 15.179) 24.106 2.509 ( 8.164 -2.095 -1.679) 8.595 3.059 ( 15.948 -2.025 9.402) 18.623 3.200 ( 14.117 8.039 -11.406) 19.850 3.231 ( 14.007 -3.160 4.284) 14.984 3.436 ( 9.368 4.396 -9.943) 14.351 3.790 ( 1.943 -7.037 -8.622) 11.298 4.020 ( 0.713 -7.091 -1.345) 7.253 4.236 ( -1.140 7.575 1.041) 7.731 4.428 ( 2.220 -1.595 -5.117) 5.801 4.906 ( 3.227 10.615 0.979) 11.138 5.084 ( 2.841 3.623 -5.505) 7.176 5.257 ( 0.774 -1.170 1.188) 1.839 5.416 ( -1.711 -8.517 -6.756) 11.005 5.504 ( 3.669 1.865 5.464) 6.841 5.825 ( -1.221 -11.195 2.120) 11.459 5.953 ( -9.555 6.995 -5.341) 12.991 6.415 ( -1.181 -7.485 5.001) 9.079 6.617 ( -16.305 5.964 -2.611) 17.557 6.977 ( -12.293 -9.681 -5.681) 16.647 7.360 ( 7.342 3.374 -0.884) 8.128 7.574 ( 4.599 -3.425 0.987) 5.818 7.707 ( -4.246 3.720 3.760) 6.782 7.828 ( -2.668 -3.420 2.887) 5.210 8.096 ( 4.032 1.486 0.546) 4.332 8.168 ( -1.611 0.928 -0.330) 1.888 8.420 ( -2.130 -1.732 -0.947) 2.904 8.450 ( -6.076 -5.039 1.145) 7.976 8.766 ( -6.481 3.256 4.398) 8.482 9.025 ( 3.917 -5.221 1.853) 6.785 9.193 ( -0.425 6.063 -1.004) 6.160 9.518 ( -0.330 -3.957 -0.584) 4.013 9.824 ( 3.583 1.808 5.244) 6.604 9.889 ( 10.750 9.578 -5.514) 15.418 9.984 ( 11.193 -1.957 -1.304) 11.437 10.052 ( -1.735 -6.011 -5.156) 8.107 10.269 ( -7.794 3.705 -4.372) 9.674 10.430 ( 5.973 -2.939 -8.725) 10.975 10.640 ( 5.827 -2.511 8.539) 10.638 10.840 ( 4.094 -3.098 0.298) 5.143 11.254 ( 4.742 -4.281 0.006) 6.389 11.382 ( 11.643 -8.381 4.719) 15.102 11.903 ( -4.839 3.627 4.994) 7.843 12.190 ( -4.590 -10.028 7.542) 13.361 12.401 ( 0.466 6.823 -1.976) 7.119 12.742 ( -4.013 -9.197 -3.682) 10.689 13.304 ( -2.424 4.003 -2.179) 5.162 13.330 ( 0.587 7.645 -0.274) 7.673 13.700 ( -4.666 4.514 -0.347) 6.501 13.825 ( 7.552 2.691 -2.501) 8.398 13.992 ( -2.233 -0.820 1.557) 2.843 14.151 ( 7.743 -3.442 1.208) 8.559 14.460 ( -0.465 1.818 1.449) 2.371 14.559 ( -2.946 -1.280 6.231) 7.010 14.871 ( 1.636 6.131 -8.988) 11.002 15.083 ( -1.623 -4.556 -3.326) 5.870 15.563 ( -9.803 8.940 -0.444) 13.275 15.748 ( -1.333 -0.556 2.978) 3.310 16.370 ( -4.785 4.043 3.717) 7.284 16.706 ( -6.275 -6.798 -0.529) 9.267 22.329 ( -1.739 6.625 3.112) 7.523 22.574 ( -0.818 -3.933 2.257) 4.608 23.137 ( -9.635 11.008 -6.860) 16.158 23.471 ( -5.821 -6.003 -9.712) 12.816 23.976 ( 0.874 0.333 0.097) 0.941 24.012 ( 0.834 -1.274 1.418) 2.081 24.138 ( -0.865 1.838 0.999) 2.264 24.197 ( -2.617 -0.491 0.028) 2.663 24.735 ( 7.887 5.945 3.691) 10.544 24.863 ( -0.079 0.091 -2.927) 2.929 25.372 ( 0.916 0.127 0.066) 0.927 25.398 ( 2.718 -0.437 1.189) 2.999 25.642 ( 3.363 2.527 -3.681) 5.589 25.804 ( 9.978 -2.618 -2.883) 10.711 26.384 ( 2.521 -4.719 5.637) 7.772 26.452 ( 0.758 -5.896 3.401) 6.849 ======================= Grid point 101 (49/136) ======================= q-point: ( 0.18 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( -0.153 15.110 20.020) 25.082 2.157 ( 17.766 14.982 13.243) 26.748 2.585 ( 2.433 -1.440 -5.936) 6.575 2.899 ( 18.771 -7.179 8.550) 21.840 3.162 ( 9.477 5.574 -15.977) 19.394 3.425 ( 1.645 -5.753 1.956) 6.296 3.523 ( 15.478 -1.306 -0.677) 15.548 3.766 ( 28.272 -8.689 -4.924) 29.984 3.861 ( 21.566 2.601 4.199) 22.125 4.085 ( 6.528 0.254 2.247) 6.909 4.333 ( 12.966 6.772 1.456) 14.700 4.479 ( 12.926 1.791 -8.207) 15.416 4.967 ( 4.903 8.911 -0.066) 10.171 5.053 ( 1.345 6.285 -5.189) 8.260 5.370 ( 8.992 -5.727 -1.713) 10.797 5.379 ( 4.383 -8.779 -3.718) 10.494 5.612 ( 0.399 1.856 5.280) 5.611 5.658 ( -13.148 7.785 -7.438) 16.994 5.869 ( 1.526 -6.473 6.542) 9.329 6.264 ( -16.163 -7.659 -4.570) 18.460 6.431 ( -7.827 4.882 5.577) 10.780 6.783 ( -6.475 -7.649 2.310) 10.284 7.365 ( -10.031 2.261 -7.054) 12.470 7.520 ( -3.646 -0.853 5.203) 6.410 7.683 ( -3.362 1.215 0.393) 3.596 7.767 ( 0.024 -2.460 -4.512) 5.139 8.104 ( -1.500 -0.499 -0.156) 1.588 8.170 ( -4.622 -0.393 0.939) 4.733 8.330 ( -5.928 -1.527 3.314) 6.961 8.424 ( -1.732 -6.820 0.852) 7.088 8.769 ( 2.635 10.558 3.852) 11.544 9.114 ( -0.129 0.064 -2.335) 2.339 9.185 ( 4.889 2.713 -1.608) 5.818 9.511 ( 0.981 -4.519 0.634) 4.668 9.729 ( -11.631 7.069 -1.899) 13.742 9.971 ( 1.113 -7.230 -0.865) 7.366 10.088 ( 7.407 -2.232 -9.718) 12.421 10.141 ( 8.424 -1.673 -5.309) 10.097 10.249 ( 11.179 4.508 1.904) 12.203 10.423 ( 7.624 3.498 -6.913) 10.869 10.750 ( -3.033 -8.508 7.450) 11.708 10.898 ( 1.557 -6.781 3.612) 7.840 11.456 ( 15.868 2.197 1.186) 16.063 11.628 ( 7.237 -5.171 3.040) 9.400 11.895 ( -0.503 1.525 5.817) 6.035 12.068 ( -14.770 -4.766 6.084) 16.669 12.440 ( 4.703 -2.820 -1.264) 5.628 12.613 ( -5.410 -8.254 -3.628) 10.515 13.217 ( -2.400 4.248 -5.228) 7.151 13.349 ( 1.065 3.157 -0.525) 3.373 13.596 ( -6.788 10.679 0.132) 12.654 13.906 ( 3.272 -2.799 -0.773) 4.374 14.027 ( 3.042 5.277 3.221) 6.891 14.284 ( 4.368 -3.596 2.890) 6.354 14.452 ( -1.499 3.633 -0.692) 3.990 14.584 ( -1.951 -2.095 4.148) 5.040 14.822 ( 3.972 5.359 -8.225) 10.590 14.991 ( -4.975 -2.422 -3.366) 6.477 15.353 ( -10.425 11.927 -1.702) 15.932 15.720 ( -4.086 -5.859 0.764) 7.184 16.321 ( -5.983 4.945 4.780) 9.116 16.663 ( -2.096 -7.995 3.853) 9.120 22.332 ( -1.610 7.012 3.288) 7.910 22.582 ( -0.599 -3.309 1.864) 3.845 22.953 ( -7.400 7.406 -1.144) 10.532 23.257 ( -8.331 -6.229 -7.868) 13.043 23.976 ( -1.217 0.242 -0.748) 1.449 24.018 ( -2.215 -1.707 0.317) 2.815 24.182 ( 4.759 0.739 1.529) 5.053 24.198 ( 3.190 0.278 0.992) 3.352 24.844 ( 1.394 3.398 -1.898) 4.134 24.939 ( 7.672 -0.634 6.865) 10.314 25.331 ( -1.854 1.416 -3.394) 4.119 25.429 ( 1.538 -2.991 -2.532) 4.210 25.743 ( 10.347 7.299 -1.241) 12.723 25.934 ( 7.131 0.627 -1.035) 7.233 26.390 ( -2.526 -1.724 1.106) 3.252 26.544 ( 4.133 -10.591 1.514) 11.469 ======================= Grid point 102 (50/136) ======================= q-point: ( 0.27 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( -5.746 13.463 21.365) 25.899 2.461 ( -3.473 9.050 -13.437) 16.569 2.558 ( 14.551 9.066 11.635) 20.719 3.111 ( 8.865 2.194 -2.036) 9.357 3.253 ( 6.600 -8.277 -11.633) 15.729 3.438 ( 1.410 -9.850 8.847) 13.315 3.603 ( -0.619 -5.400 4.289) 6.924 3.924 ( 0.080 -9.286 -4.944) 10.521 4.336 ( 14.987 5.533 -4.141) 16.504 4.480 ( 24.180 -1.765 9.739) 26.127 4.668 ( 21.062 5.595 2.615) 21.949 4.706 ( 16.617 3.634 -2.939) 17.262 4.977 ( 5.446 13.614 -11.001) 18.331 5.134 ( 11.092 6.208 1.862) 12.847 5.402 ( 5.009 -1.196 -4.520) 6.852 5.435 ( 8.214 -2.098 -0.230) 8.481 5.635 ( 7.059 -9.072 -6.453) 13.182 5.672 ( 5.023 7.202 3.093) 9.309 5.913 ( -10.795 -10.655 -3.083) 15.478 6.005 ( 5.445 -6.224 4.359) 9.349 6.376 ( -6.620 8.838 6.732) 12.933 6.775 ( -2.736 -5.074 8.849) 10.561 7.043 ( -14.014 3.627 -7.751) 16.420 7.440 ( -11.960 -11.996 -1.390) 16.996 7.651 ( 2.512 3.241 0.908) 4.200 7.757 ( 0.023 2.128 0.957) 2.334 8.048 ( -5.839 2.397 3.193) 7.073 8.119 ( 0.198 2.221 -1.098) 2.486 8.208 ( -10.283 -0.302 -2.348) 10.552 8.400 ( -0.850 -8.551 -0.981) 8.649 8.814 ( -2.797 9.944 -0.907) 10.369 9.004 ( -5.132 4.343 -7.274) 9.905 9.181 ( -1.204 7.235 -3.543) 8.145 9.574 ( -2.475 -0.652 -2.257) 3.413 9.680 ( 10.181 -7.436 9.252) 15.638 9.886 ( -5.836 -10.320 -3.184) 12.276 10.140 ( 4.116 -0.939 -4.894) 6.463 10.189 ( 8.216 -2.853 -2.820) 9.143 10.476 ( 11.350 3.054 -6.939) 13.649 10.576 ( 13.144 3.045 -0.875) 13.520 10.732 ( -5.453 -6.807 6.498) 10.876 10.989 ( 4.995 -8.581 3.588) 10.558 11.622 ( -7.121 1.256 -1.211) 7.331 11.701 ( 6.985 3.190 4.732) 9.020 11.832 ( -14.438 -0.799 6.472) 15.843 12.076 ( 9.487 -3.415 4.033) 10.859 12.471 ( 0.354 -2.924 -3.360) 4.468 12.579 ( 7.347 -5.704 -2.032) 9.520 13.142 ( -0.594 2.634 -3.865) 4.715 13.299 ( -6.354 -4.941 -1.830) 8.254 13.533 ( -0.924 19.802 2.888) 20.033 13.947 ( 2.277 -2.933 -0.325) 3.727 14.105 ( 0.596 7.238 4.415) 8.499 14.296 ( -7.580 2.529 1.568) 8.143 14.391 ( -2.450 2.636 -5.302) 6.408 14.527 ( -5.115 -3.643 0.868) 6.339 14.867 ( 2.418 0.984 -2.490) 3.608 14.901 ( 2.144 -1.373 -0.101) 2.548 15.221 ( -3.093 9.694 -2.090) 10.388 15.650 ( -3.155 -9.451 -1.206) 10.036 16.261 ( -5.889 7.335 3.422) 10.010 16.659 ( -4.146 -10.103 4.509) 11.815 22.340 ( -1.410 7.180 3.457) 8.092 22.594 ( 0.156 -2.760 1.448) 3.121 22.844 ( -5.704 2.491 0.896) 6.289 23.045 ( -7.884 -5.171 -6.083) 11.220 23.931 ( -2.454 0.383 -0.995) 2.676 23.962 ( -3.009 -1.078 -1.124) 3.388 24.291 ( 5.980 -0.110 1.570) 6.183 24.315 ( 6.537 -1.236 2.524) 7.116 24.852 ( 0.792 6.083 -0.027) 6.134 25.096 ( 0.148 -5.422 5.263) 7.557 25.292 ( 3.277 1.966 -1.856) 4.249 25.425 ( 2.573 -4.047 -4.796) 6.782 25.925 ( 10.404 8.650 0.596) 13.543 26.029 ( 4.340 3.152 0.629) 5.400 26.356 ( -1.632 0.080 -0.294) 1.660 26.604 ( 3.194 -10.487 -1.475) 11.062 ======================= Grid point 103 (51/136) ======================= q-point: ( 0.36 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( -9.338 13.055 21.022) 26.450 2.286 ( -1.295 14.699 -8.968) 17.267 2.856 ( 6.589 -2.673 9.950) 12.230 3.172 ( 4.386 -10.154 -14.085) 17.909 3.289 ( 9.355 4.406 4.089) 11.120 3.562 ( 1.927 -1.020 6.492) 6.848 3.662 ( 0.870 -11.137 5.235) 12.337 3.862 ( -1.979 -6.141 -0.362) 6.462 4.346 ( -7.981 12.435 -3.925) 15.288 4.574 ( -4.396 6.517 -5.727) 9.726 4.769 ( 6.937 -4.095 4.921) 9.440 5.090 ( 12.704 3.185 6.530) 14.635 5.219 ( 1.972 -3.354 -5.319) 6.590 5.328 ( -0.260 -7.635 6.886) 10.284 5.464 ( 11.953 9.308 -10.477) 18.420 5.483 ( 13.899 2.669 -0.678) 14.170 5.726 ( 11.884 -3.842 -0.787) 12.515 5.880 ( 2.841 -5.923 -5.349) 8.471 5.972 ( 25.703 4.721 1.321) 26.167 6.172 ( 11.133 -1.476 -3.579) 11.786 6.374 ( -1.451 8.142 11.163) 13.893 6.796 ( -6.241 -3.911 1.336) 7.485 6.847 ( 1.379 3.111 0.558) 3.448 7.209 ( -9.808 -12.115 -2.815) 15.840 7.707 ( 0.277 1.948 3.069) 3.646 7.791 ( 0.231 -0.038 4.177) 4.183 7.940 ( -8.429 2.132 -4.374) 9.733 8.001 ( -10.941 0.371 2.414) 11.210 8.127 ( 1.119 6.868 0.510) 6.977 8.366 ( -2.166 -5.200 -1.306) 5.783 8.685 ( -6.641 4.807 -2.828) 8.672 8.829 ( -5.021 4.970 -8.307) 10.905 9.144 ( 1.422 8.711 -4.769) 10.032 9.536 ( -0.740 -3.593 0.439) 3.695 9.753 ( -5.717 -8.333 -2.455) 10.400 9.969 ( 10.627 -15.171 5.807) 19.412 10.147 ( 5.691 2.569 -6.428) 8.962 10.356 ( 9.067 -3.039 2.372) 9.853 10.499 ( -2.605 0.030 -3.830) 4.632 10.620 ( -0.750 -1.199 0.153) 1.422 10.869 ( 12.908 -1.708 -2.412) 13.242 11.087 ( 3.848 -8.575 -1.327) 9.492 11.417 ( -14.629 1.211 1.962) 14.810 11.647 ( -10.464 -8.091 3.259) 13.623 11.837 ( -0.443 11.197 5.632) 12.541 12.260 ( 10.767 -1.670 -2.502) 11.180 12.464 ( 1.791 1.811 -1.350) 2.882 12.748 ( 12.004 -4.546 -0.982) 12.874 13.092 ( -5.250 2.186 0.435) 5.704 13.190 ( -1.089 -0.518 0.145) 1.215 13.596 ( 2.939 15.033 4.138) 15.867 13.958 ( -0.610 0.149 -2.603) 2.678 14.059 ( -9.456 6.807 -1.612) 11.762 14.183 ( -8.101 0.595 0.997) 8.184 14.227 ( -3.948 4.557 0.369) 6.041 14.514 ( 0.062 -7.254 1.919) 7.503 14.856 ( -0.227 2.152 1.109) 2.431 15.019 ( 5.542 -4.680 3.182) 7.921 15.180 ( 0.569 9.420 -2.841) 9.855 15.601 ( -0.544 -9.865 -2.253) 10.134 16.189 ( -5.061 8.304 1.071) 9.783 16.604 ( -5.582 -10.750 1.558) 12.212 22.351 ( -1.479 7.157 3.463) 8.087 22.620 ( 1.277 -2.684 1.463) 3.313 22.763 ( -4.852 -0.846 0.559) 4.957 22.881 ( -4.931 -3.703 -3.987) 7.344 23.888 ( -1.615 0.297 -0.080) 1.644 23.912 ( -1.658 -0.812 -0.385) 1.886 24.405 ( 5.320 -1.070 1.139) 5.545 24.430 ( 4.257 -2.320 0.597) 4.884 24.875 ( 0.725 6.685 2.275) 7.099 25.034 ( -5.427 -0.097 -2.877) 6.143 25.402 ( 4.664 -4.212 1.156) 6.390 25.425 ( 3.093 -4.103 -1.876) 5.470 26.085 ( 5.819 7.528 2.216) 9.770 26.101 ( 3.470 4.802 1.198) 6.045 26.335 ( -0.137 1.117 -0.934) 1.463 26.632 ( 2.705 -9.140 -2.766) 9.925 ======================= Grid point 104 (52/136) ======================= q-point: ( 0.45 0.33 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( -10.968 13.488 12.082) 21.171 2.323 ( 4.000 13.713 8.372) 16.557 2.969 ( -1.370 -11.490 6.641) 13.342 3.173 ( 6.301 -7.063 -4.638) 10.540 3.442 ( 2.317 4.799 1.421) 5.515 3.611 ( -3.846 1.016 -0.113) 3.980 3.699 ( 0.858 -3.868 -1.003) 4.087 3.860 ( -0.510 -8.328 4.678) 9.566 4.198 ( -0.918 14.845 5.203) 15.757 4.569 ( 3.831 0.997 2.256) 4.556 4.851 ( -2.873 -6.214 -3.172) 7.545 5.031 ( -0.447 -13.256 5.300) 14.284 5.283 ( -1.835 9.099 -7.224) 11.762 5.420 ( -4.137 -3.589 1.374) 5.646 5.531 ( 9.827 4.464 1.953) 10.969 5.585 ( 0.887 8.499 -1.447) 8.667 5.762 ( -1.285 -2.739 -5.066) 5.901 6.046 ( 13.621 -1.925 1.571) 13.846 6.269 ( 5.023 4.341 -3.429) 7.472 6.404 ( 16.627 -0.720 -0.305) 16.646 6.498 ( 1.371 2.960 5.843) 6.692 6.737 ( -2.511 -3.171 -0.831) 4.129 6.881 ( 1.531 4.141 -0.565) 4.451 7.139 ( 3.542 -7.937 1.035) 8.753 7.673 ( -8.704 -0.400 1.906) 8.919 7.725 ( -2.905 -0.669 -5.757) 6.483 7.835 ( -10.144 -0.730 4.903) 11.291 7.896 ( -1.052 -1.730 7.786) 8.045 8.176 ( 2.697 9.465 -0.311) 9.847 8.269 ( -4.993 0.641 -2.024) 5.425 8.624 ( 0.783 1.698 1.259) 2.254 8.714 ( 2.792 5.402 -8.935) 10.808 9.133 ( 3.102 7.723 -4.958) 9.688 9.539 ( 0.983 -2.585 -4.006) 4.867 9.664 ( -3.739 -12.334 4.455) 13.637 10.048 ( 4.972 -7.379 -11.496) 14.537 10.267 ( 5.947 -8.341 1.377) 10.336 10.353 ( -8.045 -3.201 -0.122) 8.659 10.501 ( 2.122 5.708 4.046) 7.311 10.642 ( 5.148 0.775 -4.293) 6.748 11.004 ( 8.392 -5.191 -6.298) 11.706 11.122 ( 2.790 -7.946 -2.099) 8.679 11.229 ( -8.935 1.849 4.580) 10.209 11.524 ( -9.115 -12.217 4.427) 15.872 11.768 ( -5.813 13.973 -7.225) 16.770 12.371 ( -0.801 -14.120 -5.728) 15.259 12.510 ( 7.921 14.156 3.825) 16.666 12.896 ( 5.577 -3.510 1.349) 6.726 13.078 ( -0.118 9.006 5.933) 10.785 13.218 ( 0.900 3.946 1.432) 4.294 13.639 ( -2.185 7.627 -1.406) 8.057 13.825 ( -6.676 2.787 -9.908) 12.268 13.937 ( 1.110 3.349 4.547) 5.755 14.106 ( -3.354 -3.011 5.105) 6.809 14.271 ( 0.726 4.504 7.424) 8.713 14.533 ( 0.150 -6.933 1.285) 7.053 14.871 ( -0.038 3.210 1.842) 3.701 15.088 ( -0.566 -3.274 -1.077) 3.493 15.209 ( 3.699 6.236 3.850) 8.209 15.583 ( 1.133 -8.730 -2.652) 9.194 16.115 ( -3.187 8.243 -1.609) 8.983 16.515 ( -3.831 -10.344 -2.405) 11.290 22.356 ( -1.919 6.783 3.169) 7.729 22.661 ( -0.675 -6.244 2.974) 6.949 22.689 ( -1.342 1.625 -2.162) 3.019 22.813 ( 0.325 -3.086 -1.185) 3.322 23.880 ( -0.070 0.288 1.370) 1.401 23.902 ( 0.021 -0.756 1.150) 1.376 24.455 ( 0.421 -1.184 -2.381) 2.693 24.482 ( 1.681 -2.454 0.301) 2.990 24.875 ( -3.203 4.456 -2.341) 5.966 24.954 ( 0.827 1.344 0.029) 1.579 25.402 ( 1.062 -1.184 -3.177) 3.552 25.518 ( 2.215 -6.267 3.756) 7.635 26.142 ( 0.211 4.422 2.213) 4.950 26.181 ( 1.610 7.379 2.058) 7.828 26.328 ( 0.376 1.343 -1.093) 1.772 26.646 ( 2.323 -8.409 -2.935) 9.204 ======================= Grid point 105 (53/136) ======================= q-point: (-0.45 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( -12.555 15.095 12.482) 23.266 2.521 ( 6.171 4.465 10.787) 13.205 3.010 ( -6.666 -1.121 9.149) 11.375 3.196 ( -1.277 3.877 -3.813) 5.586 3.353 ( -4.934 -4.083 -1.749) 6.639 3.475 ( -4.248 -9.433 -3.726) 10.996 3.732 ( 2.706 3.373 3.542) 5.590 3.955 ( 2.620 -8.143 7.687) 11.501 4.435 ( 12.989 7.062 11.004) 18.430 4.702 ( 4.899 -4.556 4.449) 8.035 4.724 ( -3.489 2.048 -4.085) 5.749 5.100 ( -7.935 5.733 -4.550) 10.795 5.106 ( -4.451 -5.698 -5.125) 8.862 5.282 ( -3.674 -7.420 0.144) 8.281 5.532 ( 4.001 8.458 -3.740) 10.077 5.694 ( 3.859 -0.862 5.802) 7.021 5.840 ( 4.664 2.804 -2.221) 5.877 6.120 ( -8.138 1.162 3.276) 8.849 6.265 ( -3.175 3.009 -4.400) 6.205 6.365 ( -11.845 1.502 -3.618) 12.476 6.456 ( -11.758 0.779 1.976) 11.948 6.648 ( -9.365 -6.587 2.190) 11.658 6.943 ( 2.393 7.282 0.776) 7.704 7.245 ( 6.125 -2.195 0.487) 6.525 7.566 ( -3.544 -1.831 4.361) 5.910 7.694 ( 0.735 -5.552 3.158) 6.430 7.777 ( 0.981 1.140 -1.360) 2.028 7.974 ( 4.239 -5.351 1.706) 7.037 8.131 ( -2.209 7.209 -0.943) 7.598 8.284 ( 4.462 -0.324 -1.544) 4.733 8.691 ( 5.175 7.133 -2.685) 9.212 8.760 ( 9.597 4.299 -1.717) 10.655 9.153 ( 4.342 6.212 -3.818) 8.487 9.470 ( -0.447 2.244 -7.885) 8.210 9.689 ( -1.143 -15.041 2.531) 15.295 10.007 ( 0.994 -7.104 -2.424) 7.572 10.238 ( 1.521 1.802 -6.845) 7.240 10.302 ( -4.421 -11.640 0.391) 12.458 10.523 ( -3.979 9.577 4.407) 11.268 10.707 ( 6.585 3.126 -3.773) 8.208 11.070 ( 5.607 -6.154 -6.990) 10.871 11.102 ( -3.451 -3.996 3.533) 6.353 11.237 ( 4.129 -5.260 -2.561) 7.160 11.389 ( -8.688 -8.512 0.487) 12.173 11.607 ( -3.063 7.429 -3.307) 8.690 12.181 ( -7.797 -14.401 -10.528) 19.468 12.720 ( 5.442 11.739 7.756) 15.086 12.990 ( -2.508 2.315 -0.332) 3.430 13.068 ( -2.315 7.393 5.522) 9.513 13.231 ( -0.877 6.810 2.366) 7.263 13.540 ( -3.111 6.425 -3.522) 7.960 13.740 ( 5.874 3.442 -6.975) 9.747 14.067 ( 2.538 -2.320 7.016) 7.813 14.122 ( 0.045 -3.558 6.083) 7.047 14.390 ( 3.545 2.870 8.477) 9.626 14.545 ( -0.364 -4.859 1.614) 5.132 14.887 ( 0.245 3.583 0.764) 3.671 15.030 ( -1.953 1.252 -3.519) 4.215 15.332 ( 2.209 0.332 8.565) 8.852 15.579 ( 1.170 -7.361 -2.364) 7.820 16.057 ( -0.309 8.309 -3.311) 8.949 16.440 ( 0.047 -9.390 -5.590) 10.928 22.349 ( -2.266 5.953 2.810) 6.962 22.612 ( -3.479 -4.955 0.461) 6.072 22.715 ( 2.567 2.188 -0.544) 3.417 22.873 ( 6.489 -4.069 1.043) 7.730 23.911 ( 1.259 0.217 2.567) 2.868 23.930 ( 1.175 -0.695 2.012) 2.431 24.408 ( -2.581 0.131 -2.371) 3.507 24.448 ( -4.152 -1.807 -2.661) 5.252 24.825 ( 0.767 3.594 -1.212) 3.870 24.969 ( 1.017 -2.683 -3.010) 4.159 25.399 ( -0.067 2.141 1.180) 2.446 25.561 ( -0.378 -5.235 1.616) 5.491 26.141 ( -2.615 4.845 1.616) 5.738 26.187 ( -3.399 7.306 2.463) 8.426 26.322 ( 0.154 0.490 -1.013) 1.136 26.651 ( 1.415 -9.367 -2.721) 9.856 ======================= Grid point 106 (54/136) ======================= q-point: (-0.36 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -13.800 18.661 9.159) 24.951 2.637 ( -9.834 4.991 -2.316) 11.268 2.762 ( -12.554 -0.371 8.327) 15.069 3.200 ( -10.653 -8.401 -3.594) 14.035 3.341 ( 9.883 -0.393 10.540) 14.454 3.535 ( 9.791 -5.658 2.157) 11.512 3.818 ( -1.841 -0.585 9.715) 9.905 4.056 ( -0.367 -4.815 6.179) 7.842 4.524 ( -10.935 3.116 -5.503) 12.632 4.685 ( 0.515 2.296 -2.985) 3.801 4.745 ( -7.345 0.126 -0.797) 7.390 4.877 ( -4.349 -3.156 -3.934) 6.660 5.092 ( 4.521 7.631 10.049) 13.404 5.305 ( 2.866 1.117 -1.987) 3.662 5.564 ( -7.564 1.053 -1.771) 7.840 5.689 ( -8.799 0.359 -4.298) 9.799 5.770 ( -9.385 1.360 1.301) 9.572 5.905 ( -12.857 -1.533 -1.322) 13.015 5.969 ( -18.111 6.947 2.882) 19.611 6.216 ( -12.353 -2.571 -0.068) 12.618 6.311 ( 4.069 -1.753 2.668) 5.172 6.485 ( -8.473 -9.990 -0.601) 13.113 7.005 ( 5.831 8.891 0.814) 10.664 7.345 ( 4.935 -1.547 1.304) 5.333 7.649 ( 4.940 -0.779 5.481) 7.420 7.746 ( 0.206 -3.099 3.986) 5.053 7.800 ( 4.369 1.125 -6.107) 7.593 8.018 ( 2.981 -6.850 -5.278) 9.147 8.156 ( 3.497 5.489 1.325) 6.642 8.348 ( 2.961 -3.971 0.810) 5.019 8.725 ( 3.628 9.961 -5.684) 12.029 8.946 ( 11.314 1.707 -0.949) 11.481 9.200 ( 4.876 4.838 -2.597) 7.344 9.369 ( -0.497 1.881 -10.204) 10.387 9.691 ( 1.309 -3.898 2.622) 4.877 10.065 ( -0.082 -11.925 9.119) 15.012 10.197 ( 1.185 -2.888 -9.100) 9.620 10.251 ( 3.296 -2.597 -4.009) 5.803 10.468 ( -6.740 8.368 3.718) 11.370 10.743 ( -0.684 6.573 -1.851) 6.863 10.947 ( -11.816 -2.689 -4.663) 12.984 11.058 ( -10.466 -2.825 8.419) 13.726 11.247 ( 10.675 -2.959 -9.202) 14.401 11.428 ( 11.025 -9.426 -4.213) 15.104 11.615 ( 2.034 -3.710 3.311) 5.373 11.942 ( -7.786 -13.825 -9.539) 18.513 12.767 ( -10.907 5.490 -1.237) 12.274 12.779 ( -10.298 6.352 5.318) 13.217 13.213 ( 7.735 3.648 2.912) 9.034 13.262 ( 3.111 6.508 2.586) 7.663 13.502 ( 0.506 9.692 -0.971) 9.753 13.791 ( 6.901 4.568 -6.846) 10.740 14.087 ( -4.516 -2.174 5.376) 7.350 14.249 ( 2.686 -6.103 7.398) 9.960 14.514 ( 0.769 -0.180 4.106) 4.181 14.565 ( 0.750 -1.377 4.192) 4.476 14.896 ( 2.323 3.062 -2.726) 4.712 14.986 ( 0.452 1.224 -1.721) 2.160 15.434 ( -0.603 -1.342 8.590) 8.715 15.576 ( 1.271 -5.019 -2.320) 5.673 16.060 ( 3.837 8.080 -0.625) 8.967 16.410 ( 3.710 -7.753 -6.628) 10.854 22.338 ( -2.214 5.148 2.655) 6.201 22.568 ( -2.278 -5.007 0.655) 5.539 22.764 ( 4.471 6.289 -1.042) 7.786 23.035 ( 10.115 -5.987 2.039) 11.930 23.961 ( 1.306 -0.257 2.062) 2.454 23.971 ( 1.283 -0.670 1.370) 1.993 24.324 ( -5.313 0.634 -2.360) 5.848 24.343 ( -3.768 -0.100 -0.472) 3.798 24.857 ( 2.222 0.948 0.806) 2.547 24.925 ( -0.750 -2.105 -5.187) 5.648 25.419 ( -0.780 2.758 3.649) 4.640 25.539 ( -2.476 -2.738 -1.192) 3.879 26.088 ( -5.441 6.634 1.609) 8.730 26.124 ( -6.156 6.457 2.164) 9.181 26.317 ( 0.437 -1.511 -0.639) 1.697 26.630 ( -0.893 -11.960 -3.052) 12.376 ======================= Grid point 107 (55/136) ======================= q-point: (-0.27 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( -14.068 23.201 5.033) 27.596 2.246 ( -21.200 18.442 -5.104) 28.559 2.775 ( -5.219 -18.106 8.905) 20.842 2.958 ( -15.760 -13.111 0.574) 20.509 3.613 ( 8.656 2.802 7.074) 11.525 3.725 ( 5.236 -0.498 2.439) 5.797 3.810 ( -10.510 1.318 8.296) 13.454 4.049 ( -5.528 2.086 1.392) 6.070 4.093 ( -28.548 1.502 -3.759) 28.833 4.510 ( -27.820 -8.233 0.300) 29.015 4.642 ( -1.795 4.078 -2.409) 5.066 4.698 ( -10.260 3.959 2.743) 11.334 5.067 ( -9.931 8.817 -3.536) 13.743 5.316 ( -3.729 6.008 1.084) 7.154 5.398 ( -8.948 0.904 -0.742) 9.024 5.462 ( -13.326 -0.812 -4.038) 13.948 5.577 ( -5.591 -3.180 -0.969) 6.505 5.753 ( 0.085 -7.329 -2.318) 7.687 5.855 ( -0.743 8.668 11.654) 14.543 6.147 ( 4.390 -4.433 -5.065) 8.036 6.385 ( -0.859 -8.458 -0.969) 8.556 6.566 ( 15.235 -8.784 10.206) 20.333 7.166 ( 11.814 10.109 -0.256) 15.551 7.439 ( 5.396 -0.368 -1.279) 5.558 7.675 ( -3.513 5.542 -2.777) 7.125 7.773 ( -0.954 -1.361 -4.475) 4.773 7.876 ( 10.618 -4.881 2.289) 11.908 8.037 ( 5.451 -8.465 -4.581) 11.061 8.190 ( -0.220 4.193 -1.240) 4.378 8.379 ( -0.054 -5.393 0.763) 5.447 8.693 ( -2.279 10.969 -1.559) 11.311 9.052 ( 3.053 -3.690 -4.589) 6.633 9.242 ( 1.356 5.963 -1.675) 6.341 9.345 ( 8.878 4.533 -6.503) 11.902 9.780 ( 3.167 3.986 3.466) 6.159 10.113 ( -1.876 -0.317 -0.111) 1.906 10.152 ( 0.936 -3.993 -2.165) 4.638 10.283 ( 2.749 -6.609 -1.002) 7.228 10.399 ( -1.519 -1.499 -1.748) 2.759 10.654 ( -3.741 -1.894 -5.253) 6.721 10.697 ( -14.954 5.064 5.142) 16.605 10.970 ( -11.935 -0.762 13.424) 17.978 11.424 ( 17.710 -2.900 -8.142) 19.707 11.453 ( -1.999 -7.830 -12.346) 14.756 11.670 ( -0.997 -3.665 0.125) 3.801 11.811 ( 0.762 -10.539 2.747) 10.918 12.555 ( -7.857 3.374 -1.653) 8.709 12.659 ( -8.350 -0.680 1.020) 8.440 13.314 ( 3.190 5.062 0.360) 5.994 13.357 ( 2.424 1.525 0.164) 2.869 13.549 ( 5.282 12.266 2.320) 13.555 13.839 ( 5.895 5.083 -4.403) 8.943 14.039 ( -6.169 -0.820 3.426) 7.104 14.298 ( -4.462 -5.637 4.375) 8.416 14.522 ( -2.046 0.810 3.217) 3.898 14.621 ( -0.208 -1.586 3.606) 3.945 14.918 ( 3.547 0.270 -3.339) 4.879 15.003 ( 3.422 -1.612 -2.653) 4.621 15.498 ( 0.429 0.528 5.728) 5.768 15.570 ( 2.084 -1.093 -4.480) 5.060 16.186 ( 6.758 5.479 6.500) 10.860 16.441 ( 6.575 -5.151 -3.728) 9.146 22.328 ( -1.943 4.841 2.638) 5.845 22.548 ( -1.224 -5.124 1.246) 5.414 22.857 ( 7.971 11.292 -0.977) 13.856 23.247 ( 12.298 -7.606 1.491) 14.537 23.981 ( 0.185 -0.599 -0.491) 0.796 23.991 ( 0.123 -0.894 -0.272) 0.943 24.227 ( -4.050 1.678 -0.401) 4.402 24.298 ( -3.304 -1.654 3.118) 4.835 24.853 ( -1.472 2.458 -2.498) 3.801 24.914 ( 1.441 -0.550 2.510) 2.946 25.434 ( -1.533 1.226 2.821) 3.436 25.452 ( -4.119 0.918 -4.904) 6.470 25.987 ( -8.894 6.827 3.160) 11.648 26.043 ( -4.690 5.488 0.877) 7.272 26.328 ( 1.198 -3.974 0.064) 4.151 26.542 ( -5.334 -15.088 -4.852) 16.723 ======================= Grid point 108 (56/136) ======================= q-point: (-0.18 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( -12.987 26.994 2.503) 30.060 1.872 ( -19.172 21.771 -0.290) 29.011 2.612 ( -27.263 -0.310 5.539) 27.822 2.756 ( -9.606 -23.284 9.172) 26.805 3.399 ( -29.648 6.836 -2.905) 30.564 3.561 ( -28.029 -1.329 2.399) 28.163 3.733 ( -14.154 3.809 0.110) 14.658 3.780 ( -9.902 -3.980 -5.376) 11.950 3.834 ( -6.425 -1.300 -2.484) 7.010 4.151 ( -3.653 -1.249 4.252) 5.743 4.565 ( -11.952 1.167 11.023) 16.301 4.625 ( -5.448 0.008 1.978) 5.796 4.867 ( -8.256 10.860 -5.522) 14.717 5.155 ( -2.734 4.374 -7.704) 9.271 5.195 ( -7.167 1.811 -6.319) 9.725 5.387 ( 0.343 5.500 7.564) 9.359 5.603 ( 4.260 -9.567 5.249) 11.714 5.808 ( 6.350 -11.523 0.099) 13.157 6.022 ( 4.731 0.454 2.676) 5.454 6.133 ( 1.488 -7.127 -9.190) 11.724 6.524 ( 13.927 3.052 5.310) 15.214 6.939 ( 15.101 -9.254 8.960) 19.848 7.342 ( 8.605 8.790 -2.102) 12.479 7.468 ( -0.874 0.587 -2.583) 2.789 7.600 ( 2.509 0.399 -7.051) 7.495 7.669 ( -5.512 0.056 -4.095) 6.867 8.036 ( 8.682 -0.442 -2.483) 9.041 8.139 ( 0.383 1.020 -4.128) 4.269 8.178 ( 9.342 -5.114 4.357) 11.507 8.398 ( 2.749 -6.101 0.320) 6.700 8.656 ( -2.476 9.700 3.108) 10.482 9.018 ( -1.748 -4.900 -2.210) 5.653 9.215 ( -1.747 7.224 -1.846) 7.658 9.410 ( 4.946 1.851 -7.766) 9.392 9.811 ( -2.121 5.402 1.318) 5.951 10.015 ( -4.793 6.863 -5.991) 10.294 10.171 ( 0.674 -2.134 -1.306) 2.591 10.259 ( -5.840 -4.397 3.518) 8.113 10.372 ( -0.291 -4.081 -4.662) 6.203 10.539 ( -7.316 -2.745 5.027) 9.292 10.613 ( 0.905 -2.716 -2.647) 3.899 10.875 ( -14.652 -8.086 5.975) 17.770 11.244 ( -3.780 3.871 -5.220) 7.518 11.558 ( -6.521 -7.114 3.151) 10.152 11.680 ( 12.266 3.329 -4.003) 13.325 11.895 ( 1.231 -8.026 3.897) 9.007 12.447 ( -4.507 2.914 -0.308) 5.376 12.611 ( 6.059 -4.498 -4.099) 8.587 13.322 ( 0.320 4.292 -3.095) 5.301 13.371 ( -0.279 1.549 0.318) 1.605 13.684 ( 5.666 8.428 2.953) 10.576 13.909 ( 3.995 2.850 -0.282) 4.915 13.955 ( -5.348 2.699 0.968) 6.068 14.206 ( -8.042 -3.221 0.698) 8.691 14.512 ( -3.555 0.336 3.947) 5.323 14.629 ( -3.458 -2.598 4.422) 6.186 14.942 ( 3.939 -0.445 -4.824) 6.243 15.040 ( 4.316 -4.381 -2.951) 6.821 15.529 ( 2.452 3.425 -4.909) 6.469 15.606 ( 4.084 0.433 1.812) 4.489 16.349 ( 4.718 4.065 3.237) 7.018 16.604 ( 10.348 -5.415 7.792) 14.040 22.325 ( -1.639 5.079 2.702) 5.982 22.548 ( -0.771 -5.048 1.790) 5.412 23.036 ( 14.427 14.450 -0.701) 20.431 23.468 ( 12.658 -7.830 -1.117) 14.926 23.972 ( -0.107 -0.391 -0.933) 1.017 23.981 ( 0.023 -0.817 -0.295) 0.869 24.170 ( -2.965 1.843 0.440) 3.519 24.278 ( -3.046 -3.634 3.037) 5.631 24.826 ( -2.345 6.464 3.658) 7.789 24.967 ( 0.770 -1.036 4.137) 4.333 25.303 ( -4.631 4.128 -8.567) 10.577 25.414 ( -3.040 -1.331 0.091) 3.320 25.865 ( -8.485 3.362 2.757) 9.534 25.977 ( -4.896 4.373 0.951) 6.633 26.333 ( -8.350 -12.238 -7.555) 16.631 26.364 ( -0.984 -7.497 1.682) 7.745 ======================= Grid point 109 (57/136) ======================= q-point: (-0.09 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -13.326 28.014 -1.666) 31.067 1.586 ( -18.625 24.324 11.779) 32.822 2.197 ( -24.967 13.844 12.236) 31.061 2.665 ( -13.725 -21.034 8.595) 26.546 2.942 ( -18.838 -0.583 -1.178) 18.884 3.066 ( -21.137 -2.887 -1.737) 21.404 3.349 ( -17.517 5.689 3.712) 18.788 3.659 ( 0.707 3.398 -16.097) 16.467 3.825 ( 0.371 -6.090 -0.574) 6.128 4.125 ( -4.274 -9.045 1.854) 10.174 4.468 ( -10.994 1.909 -0.422) 11.167 4.506 ( -5.052 0.919 5.186) 7.298 4.785 ( 1.291 11.723 -0.819) 11.822 5.070 ( 0.659 1.939 -5.760) 6.113 5.144 ( 3.100 9.534 -0.644) 10.046 5.439 ( -0.746 5.458 2.798) 6.179 5.763 ( 1.020 -10.731 3.430) 11.312 5.878 ( 3.473 -17.761 -5.709) 18.976 6.065 ( 1.739 -2.195 -0.855) 2.928 6.109 ( 5.670 -7.499 -0.033) 9.402 6.811 ( 10.995 7.929 3.212) 13.931 7.171 ( 5.268 -1.000 0.353) 5.374 7.404 ( -1.561 -1.568 -7.322) 7.649 7.471 ( 5.206 5.197 6.172) 9.603 7.533 ( 0.180 -5.684 -6.741) 8.820 7.605 ( 0.282 1.041 3.896) 4.043 8.053 ( -2.873 4.816 -4.207) 7.010 8.209 ( 9.164 0.689 -1.788) 9.363 8.352 ( 4.292 -0.582 2.000) 4.771 8.514 ( 9.125 -6.262 0.019) 11.067 8.719 ( 6.884 0.366 7.597) 10.259 8.942 ( -5.938 -4.929 0.025) 7.717 9.191 ( -0.162 5.508 0.712) 5.556 9.412 ( 4.952 1.267 -4.668) 6.922 9.758 ( -3.642 1.104 -0.930) 3.918 9.869 ( -6.440 3.492 -1.884) 7.564 10.030 ( -10.340 0.461 -1.751) 10.497 10.238 ( -5.981 -1.193 -3.551) 7.057 10.256 ( -5.554 1.092 -3.069) 6.439 10.464 ( 1.884 -4.156 -6.216) 7.711 10.613 ( -5.406 -0.419 6.630) 8.565 10.679 ( -1.107 -2.476 -3.014) 4.054 11.224 ( -4.381 3.960 3.438) 6.833 11.464 ( -7.059 -6.980 5.047) 11.137 11.866 ( 12.019 -0.979 -1.606) 12.166 11.917 ( -2.709 -4.815 5.762) 7.983 12.419 ( 1.472 7.310 -0.851) 7.505 12.724 ( 9.634 -6.122 -4.138) 12.141 13.301 ( 0.566 5.769 -1.936) 6.112 13.361 ( -0.528 1.373 -0.184) 1.483 13.764 ( -0.290 4.782 2.219) 5.280 13.871 ( -2.782 -0.250 -1.401) 3.125 13.960 ( -0.329 5.264 1.715) 5.546 14.091 ( -3.087 -3.160 -1.795) 4.768 14.482 ( -4.222 0.357 3.902) 5.760 14.601 ( -5.330 -2.769 5.670) 8.260 14.952 ( 3.824 1.836 -6.865) 8.070 15.088 ( 4.078 -5.012 -2.443) 6.908 15.539 ( 3.850 4.680 -2.575) 6.585 15.694 ( 3.674 -0.693 1.392) 3.989 16.418 ( 1.786 6.807 -0.006) 7.037 16.849 ( 5.132 -12.686 7.934) 15.818 22.326 ( -1.520 5.558 2.839) 6.423 22.555 ( -0.735 -4.637 2.080) 5.135 23.298 ( 16.440 10.836 -5.430) 20.425 23.622 ( 8.452 -6.296 -6.032) 12.143 23.972 ( 0.582 0.402 0.556) 0.900 24.003 ( 1.416 -1.053 0.785) 1.932 24.139 ( -0.822 1.713 1.121) 2.206 24.254 ( -1.747 -3.771 0.789) 4.230 24.806 ( -5.876 6.494 1.636) 8.910 25.003 ( -3.487 -2.984 4.743) 6.600 25.185 ( 1.174 4.245 -3.396) 5.561 25.315 ( -5.902 -3.380 -2.908) 7.397 25.755 ( -6.244 0.783 0.070) 6.293 25.831 ( -9.584 -1.906 -3.815) 10.490 26.157 ( -3.222 2.001 2.427) 4.503 26.402 ( 0.788 -6.709 2.651) 7.257 ======================= Grid point 110 (58/136) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 0.835 -15.329 1.455) 15.420 1.695 ( 0.835 15.329 1.455) 15.420 2.191 ( -5.494 -16.954 15.168) 23.403 2.191 ( -5.494 16.954 15.168) 23.403 2.879 ( 0.945 -2.646 3.270) 4.311 2.879 ( 0.945 2.646 3.270) 4.311 3.559 ( 0.675 -17.366 -3.401) 17.709 3.559 ( 0.675 17.366 -3.401) 17.709 3.725 ( 1.061 -11.004 -7.497) 13.357 3.725 ( 1.061 11.004 -7.497) 13.357 4.413 ( -5.704 -4.119 1.514) 7.197 4.413 ( -5.704 4.119 1.514) 7.197 5.026 ( 5.213 -7.216 -2.296) 9.193 5.026 ( 5.213 7.216 -2.296) 9.193 5.443 ( -6.562 -2.434 -9.070) 11.457 5.443 ( -6.562 2.434 -9.070) 11.457 5.533 ( 1.903 -11.632 2.992) 12.160 5.533 ( 1.903 11.632 2.992) 12.160 6.150 ( 2.580 -5.882 6.675) 9.263 6.150 ( 2.580 5.882 6.675) 9.263 7.057 ( -7.286 -10.954 -5.175) 14.137 7.057 ( -7.286 10.954 -5.175) 14.137 7.341 ( 3.894 -5.708 -2.688) 7.414 7.341 ( 3.894 5.708 -2.688) 7.414 7.722 ( 3.732 -2.982 7.025) 8.496 7.722 ( 3.732 2.982 7.025) 8.496 8.164 ( 2.541 -7.439 -3.062) 8.436 8.164 ( 2.541 7.439 -3.062) 8.436 8.457 ( -1.697 -5.114 -2.702) 6.028 8.457 ( -1.697 5.114 -2.702) 6.028 8.838 ( 0.177 -2.676 5.750) 6.345 8.838 ( 0.177 2.676 5.750) 6.345 9.360 ( 0.552 -9.363 1.415) 9.485 9.360 ( 0.552 9.363 1.415) 9.485 9.808 ( 2.892 -3.684 0.079) 4.684 9.808 ( 2.892 3.684 0.079) 4.684 9.956 ( 0.056 -6.418 -4.749) 7.984 9.956 ( 0.056 6.418 -4.749) 7.984 10.366 ( 1.612 -5.066 -1.964) 5.667 10.366 ( 1.612 5.066 -1.964) 5.667 10.677 ( 3.006 -5.899 -0.361) 6.630 10.677 ( 3.006 5.899 -0.361) 6.630 11.225 ( -5.359 -5.776 0.129) 7.880 11.225 ( -5.359 5.776 0.129) 7.880 11.965 ( 1.117 -4.559 7.651) 8.976 11.965 ( 1.117 4.559 7.651) 8.976 12.615 ( 0.542 -9.571 -2.042) 9.802 12.615 ( 0.542 9.571 -2.042) 9.802 13.381 ( 1.387 -0.249 -1.112) 1.795 13.381 ( 1.387 0.249 -1.112) 1.795 13.814 ( -1.373 -1.561 0.333) 2.105 13.814 ( -1.373 1.561 0.333) 2.105 14.010 ( 0.039 -0.520 -0.271) 0.588 14.010 ( 0.039 0.520 -0.271) 0.588 14.509 ( -3.102 -3.522 4.405) 6.437 14.509 ( -3.102 3.522 4.405) 6.437 15.015 ( 2.064 -4.509 -4.654) 6.801 15.015 ( 2.064 4.509 -4.654) 6.801 15.691 ( 1.536 -4.207 2.256) 5.014 15.691 ( 1.536 4.207 2.256) 5.014 16.615 ( -3.050 -11.981 -1.213) 12.422 16.615 ( -3.050 11.981 -1.213) 12.422 22.455 ( -1.301 -6.283 3.241) 7.188 22.455 ( -1.301 6.283 3.241) 7.188 23.502 ( 0.338 -6.486 -9.953) 11.885 23.502 ( 0.338 6.486 -9.953) 11.885 23.991 ( -0.903 -0.807 0.199) 1.227 23.991 ( -0.903 0.807 0.199) 1.227 24.191 ( -0.457 -2.309 0.754) 2.472 24.191 ( -0.457 2.309 0.754) 2.472 24.823 ( -3.257 -6.635 -0.520) 7.410 24.823 ( -3.257 6.635 -0.520) 7.410 25.294 ( 5.102 -0.218 2.482) 5.678 25.294 ( 5.102 0.218 2.482) 5.678 25.687 ( -0.919 -1.436 -3.093) 3.532 25.687 ( -0.919 1.436 -3.093) 3.532 26.313 ( 0.417 -5.659 5.160) 7.670 26.313 ( 0.417 5.659 5.160) 7.670 ======================= Grid point 112 (59/136) ======================= q-point: ( 0.09 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 17.053 -4.047 4.045) 17.987 1.917 ( 17.052 4.047 4.045) 17.987 2.358 ( 6.198 -5.683 16.541) 18.556 2.358 ( 6.198 5.683 16.541) 18.556 3.097 ( 18.863 -5.238 3.722) 19.928 3.097 ( 18.863 5.238 3.722) 19.928 3.498 ( 4.030 -6.757 -17.970) 19.617 3.498 ( 4.030 6.757 -17.970) 19.617 3.782 ( 8.176 -13.038 3.511) 15.784 3.782 ( 8.176 13.038 3.511) 15.784 4.359 ( -0.542 -4.942 -0.122) 4.973 4.359 ( -0.542 4.942 -0.122) 4.973 5.102 ( 5.908 -6.148 -2.147) 8.793 5.102 ( 5.908 6.148 -2.147) 8.793 5.246 ( -4.369 -5.187 -7.834) 10.361 5.246 ( -4.369 5.187 -7.834) 10.361 5.604 ( 2.372 -8.581 3.550) 9.584 5.604 ( 2.372 8.581 3.550) 9.584 6.195 ( -6.035 -13.259 5.428) 15.546 6.195 ( -6.035 13.259 5.428) 15.546 6.774 ( -14.293 -9.695 -5.106) 18.010 6.774 ( -14.293 9.695 -5.106) 18.010 7.465 ( 8.085 -6.490 -0.978) 10.413 7.465 ( 8.085 6.490 -0.978) 10.413 7.775 ( -4.441 -2.612 3.195) 6.062 7.775 ( -4.441 2.612 3.195) 6.062 8.148 ( 0.246 -2.825 -3.280) 4.336 8.148 ( 0.246 2.825 -3.280) 4.336 8.394 ( -4.453 -0.255 2.354) 5.043 8.394 ( -4.453 0.255 2.354) 5.043 8.882 ( 0.752 -7.653 4.052) 8.692 8.882 ( 0.752 7.653 4.052) 8.692 9.366 ( -0.315 -9.913 -0.677) 9.941 9.366 ( -0.315 9.913 -0.677) 9.941 9.883 ( 4.087 -4.518 -0.261) 6.098 9.883 ( 4.087 4.518 -0.261) 6.098 10.011 ( 9.252 -2.203 -5.375) 10.925 10.011 ( 9.252 2.203 -5.375) 10.925 10.351 ( 0.568 -4.239 -5.022) 6.596 10.351 ( 0.568 4.239 -5.022) 6.596 10.719 ( -0.144 -7.562 3.142) 8.190 10.719 ( -0.144 7.562 3.142) 8.190 11.254 ( 9.670 -3.890 1.632) 10.550 11.254 ( 9.670 3.890 1.632) 10.550 12.016 ( -4.811 -7.424 7.924) 11.876 12.016 ( -4.811 7.424 7.924) 11.876 12.557 ( -3.973 -8.817 -2.121) 9.901 12.557 ( -3.973 8.817 -2.121) 9.901 13.370 ( -1.036 -2.124 -2.050) 3.128 13.370 ( -1.036 2.124 -2.050) 3.128 13.806 ( 0.049 -4.450 -0.298) 4.460 13.806 ( 0.049 4.450 -0.298) 4.460 14.053 ( 4.449 -5.738 1.387) 7.392 14.053 ( 4.449 5.738 1.387) 7.392 14.512 ( -1.395 -2.994 3.910) 5.118 14.512 ( -1.395 2.994 3.910) 5.118 14.982 ( 0.007 -5.274 -5.181) 7.394 14.982 ( 0.007 5.274 -5.181) 7.394 15.691 ( -4.941 -4.682 1.728) 7.023 15.691 ( -4.941 4.682 1.728) 7.023 16.528 ( -4.483 -9.892 -0.395) 10.867 16.528 ( -4.483 9.892 -0.395) 10.867 22.464 ( -1.530 -6.566 3.568) 7.628 22.464 ( -1.530 6.566 3.568) 7.628 23.329 ( -7.497 -8.275 -9.083) 14.393 23.329 ( -7.497 8.275 -9.083) 14.393 23.989 ( 0.287 -0.966 0.860) 1.325 23.989 ( 0.287 0.966 0.860) 1.325 24.174 ( -1.167 -1.621 0.266) 2.015 24.174 ( -1.167 1.621 0.266) 2.015 24.833 ( 3.346 -3.341 0.082) 4.729 24.833 ( 3.346 3.341 0.082) 4.729 25.383 ( 1.537 -0.858 0.627) 1.868 25.383 ( 1.537 0.858 0.627) 1.868 25.720 ( 8.869 -4.890 -3.024) 10.570 25.720 ( 8.869 4.890 -3.024) 10.570 26.366 ( -0.325 -2.480 4.876) 5.480 26.366 ( -0.325 2.480 4.876) 5.480 ======================= Grid point 114 (60/136) ======================= q-point: ( 0.18 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 6.919 -10.694 9.059) 15.630 2.199 ( 6.919 10.694 9.059) 15.630 2.685 ( 11.931 -12.038 12.928) 21.317 2.685 ( 11.931 12.038 12.928) 21.317 3.308 ( 2.420 -7.885 -14.847) 16.984 3.308 ( 2.420 7.885 -14.847) 16.984 3.564 ( 20.303 -7.815 -2.670) 21.918 3.564 ( 20.303 7.815 -2.670) 21.918 4.021 ( 15.778 -7.455 5.756) 18.376 4.021 ( 15.778 7.455 5.756) 18.376 4.449 ( 13.741 -4.426 -2.843) 14.713 4.449 ( 13.741 4.426 -2.843) 14.713 5.163 ( 4.112 -6.130 -2.203) 7.703 5.163 ( 4.112 6.130 -2.203) 7.703 5.213 ( 8.300 -3.596 -4.224) 9.983 5.213 ( 8.300 3.596 -4.224) 9.983 5.661 ( 0.034 -3.724 0.625) 3.777 5.661 ( 0.034 3.724 0.625) 3.777 6.012 ( -14.996 -14.139 -0.670) 20.621 6.012 ( -14.996 14.139 -0.670) 20.621 6.600 ( -6.782 -9.848 6.418) 13.571 6.600 ( -6.782 9.848 6.418) 13.571 7.454 ( -9.326 -5.380 -3.532) 11.332 7.454 ( -9.326 5.380 -3.532) 11.332 7.711 ( 1.272 -2.799 -2.700) 4.091 7.711 ( 1.272 2.799 -2.700) 4.091 8.147 ( 0.527 -3.078 -0.712) 3.203 8.147 ( 0.527 3.078 -0.712) 3.203 8.327 ( -7.362 -2.237 4.509) 8.919 8.327 ( -7.362 2.237 4.509) 8.919 8.983 ( 5.131 -10.036 3.482) 11.797 8.983 ( 5.131 10.036 3.482) 11.797 9.343 ( 0.611 -10.323 -3.064) 10.786 9.343 ( 0.611 10.323 -3.064) 10.786 9.847 ( -6.791 -5.492 -3.003) 9.236 9.847 ( -6.791 5.492 -3.003) 9.236 10.088 ( 7.581 -2.062 -8.043) 11.243 10.088 ( 7.581 2.062 -8.043) 11.243 10.399 ( 10.815 -7.076 -2.049) 13.085 10.399 ( 10.815 7.076 -2.049) 13.085 10.737 ( -1.401 -7.088 3.915) 8.218 10.737 ( -1.401 7.088 3.915) 8.218 11.526 ( 14.881 -4.669 4.163) 16.142 11.526 ( 14.881 4.669 4.163) 16.142 11.963 ( -9.757 -4.919 7.697) 13.365 11.963 ( -9.757 4.919 7.697) 13.365 12.474 ( -1.727 -5.152 -2.592) 6.020 12.474 ( -1.727 5.152 -2.592) 6.020 13.308 ( -2.612 -4.390 -3.914) 6.435 13.308 ( -2.612 4.390 -3.914) 6.435 13.808 ( 0.522 -7.711 0.242) 7.733 13.808 ( 0.522 7.711 0.242) 7.733 14.161 ( 4.008 -7.664 3.917) 9.494 14.161 ( 4.008 7.664 3.917) 9.494 14.526 ( -1.366 -3.504 1.981) 4.251 14.526 ( -1.366 3.504 1.981) 4.251 14.919 ( -0.930 -4.381 -5.188) 6.854 14.919 ( -0.930 4.381 -5.188) 6.854 15.567 ( -8.379 -9.279 -1.084) 12.549 15.567 ( -8.379 9.279 -1.084) 12.549 16.478 ( -3.349 -9.666 2.894) 10.631 16.478 ( -3.349 9.666 2.894) 10.631 22.474 ( -1.564 -6.801 3.757) 7.925 22.474 ( -1.564 6.801 3.757) 7.925 23.113 ( -8.307 -7.984 -5.971) 12.977 23.113 ( -8.307 7.984 -5.971) 12.977 23.990 ( -1.619 -1.098 0.028) 1.957 23.990 ( -1.619 1.098 0.028) 1.957 24.195 ( 3.698 -0.482 0.717) 3.798 24.195 ( 3.698 0.482 0.717) 3.798 24.906 ( 3.448 -2.574 2.154) 4.812 24.906 ( 3.448 2.574 2.154) 4.812 25.372 ( -0.127 -2.599 -2.998) 3.970 25.372 ( -0.127 2.599 -2.998) 3.970 25.885 ( 11.399 -5.749 -1.526) 12.858 25.885 ( 11.399 5.749 -1.526) 12.858 26.398 ( -0.379 -3.456 2.809) 4.470 26.398 ( -0.379 3.456 2.809) 4.470 ======================= Grid point 116 (61/136) ======================= q-point: ( 0.27 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( -1.417 -12.453 11.589) 17.070 2.345 ( -1.417 12.453 11.589) 17.070 2.922 ( 6.733 -19.678 -3.624) 21.112 2.922 ( 6.733 19.678 -3.624) 21.112 3.241 ( 4.024 -7.904 0.233) 8.873 3.241 ( 4.024 7.904 0.233) 8.873 3.707 ( 2.161 -10.901 -2.152) 11.320 3.707 ( 2.161 10.901 -2.152) 11.320 4.434 ( 16.507 -3.584 4.073) 17.376 4.434 ( 16.507 3.584 4.073) 17.376 4.737 ( 22.514 -1.149 0.579) 22.551 4.737 ( 22.514 1.149 0.579) 22.551 5.219 ( -3.754 -10.456 -4.282) 11.906 5.219 ( -3.754 10.456 -4.282) 11.906 5.336 ( 14.546 -12.302 -6.882) 20.256 5.336 ( 14.546 12.302 -6.882) 20.256 5.626 ( 6.220 -8.756 -2.919) 11.130 5.626 ( 6.220 8.756 -2.919) 11.130 5.889 ( 0.706 -5.720 2.347) 6.223 5.889 ( 0.706 5.720 2.347) 6.223 6.592 ( -5.955 -11.405 11.289) 17.117 6.592 ( -5.955 11.405 11.289) 17.117 7.192 ( -13.031 -10.941 -4.798) 17.678 7.192 ( -13.031 10.941 -4.798) 17.678 7.737 ( 3.014 -4.204 -1.904) 5.512 7.737 ( 3.014 4.204 -1.904) 5.512 8.120 ( -5.709 -3.809 3.247) 7.592 8.120 ( -5.709 3.809 3.247) 7.592 8.249 ( -2.845 -5.400 -1.030) 6.190 8.249 ( -2.845 5.400 -1.030) 6.190 8.992 ( -4.873 -6.055 -4.475) 8.969 8.992 ( -4.873 6.055 -4.475) 8.969 9.379 ( 4.091 -12.685 -0.662) 13.345 9.379 ( 4.091 12.685 -0.662) 13.345 9.708 ( -4.633 -7.230 0.999) 8.645 9.708 ( -4.633 7.230 0.999) 8.645 10.142 ( 8.293 -1.880 -7.224) 11.158 10.142 ( 8.293 1.880 -7.224) 11.158 10.556 ( 6.188 -4.215 -2.427) 7.871 10.556 ( 6.188 4.215 -2.427) 7.871 10.788 ( 4.592 -9.873 3.749) 11.517 10.788 ( 4.592 9.873 3.749) 11.517 11.671 ( -5.888 -3.243 1.471) 6.881 11.671 ( -5.888 3.243 1.471) 6.881 11.942 ( 1.028 -8.250 10.170) 13.136 11.942 ( 1.028 8.250 10.170) 13.136 12.487 ( 7.493 -3.336 -4.049) 9.147 12.487 ( 7.493 3.336 -4.049) 9.147 13.210 ( -4.174 -4.076 -3.248) 6.677 13.210 ( -4.174 4.076 -3.248) 6.677 13.832 ( 1.593 -9.696 0.711) 9.852 13.832 ( 1.593 9.696 0.711) 9.852 14.243 ( -0.760 -6.595 5.795) 8.812 14.243 ( -0.760 6.595 5.795) 8.812 14.455 ( -6.985 -3.696 -3.148) 8.506 14.455 ( -6.985 3.696 -3.148) 8.506 14.882 ( 1.754 -0.653 -1.981) 2.725 14.882 ( 1.754 0.653 -1.981) 2.725 15.438 ( -4.021 -11.355 -2.040) 12.217 15.438 ( -4.021 11.355 -2.040) 12.217 16.445 ( -4.525 -10.631 3.174) 11.982 16.445 ( -4.525 10.631 3.174) 11.982 22.487 ( -1.368 -7.054 3.851) 8.153 22.487 ( -1.368 7.054 3.851) 8.153 22.934 ( -6.803 -5.649 -4.030) 9.718 22.934 ( -6.803 5.649 -4.030) 9.718 23.943 ( -2.663 -0.819 -0.959) 2.946 23.943 ( -2.663 0.819 -0.959) 2.946 24.296 ( 5.926 -0.613 1.360) 6.111 24.296 ( 5.926 0.613 1.360) 6.111 24.977 ( 0.945 -6.295 3.428) 7.229 24.977 ( 0.945 6.295 3.428) 7.229 25.348 ( 1.864 -3.507 -3.771) 5.477 25.348 ( 1.864 3.507 -3.771) 5.477 26.047 ( 8.310 -2.399 -0.257) 8.653 26.047 ( 8.310 2.399 -0.257) 8.653 26.416 ( 0.934 -6.901 0.384) 6.975 26.416 ( 0.934 6.901 0.384) 6.975 ======================= Grid point 118 (62/136) ======================= q-point: ( 0.36 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( -4.707 -7.527 9.969) 13.349 2.398 ( -4.707 7.527 9.969) 13.349 2.897 ( 0.535 -12.635 -4.645) 13.472 2.897 ( 0.535 12.635 -4.645) 13.472 3.428 ( 10.144 -7.928 4.484) 13.633 3.428 ( 10.144 7.928 4.484) 13.633 3.711 ( 0.134 -8.083 1.066) 8.154 3.711 ( 0.134 8.083 1.066) 8.154 4.553 ( -1.388 -7.536 0.166) 7.664 4.553 ( -1.388 7.536 0.166) 7.664 4.894 ( -9.232 -13.973 -2.554) 16.942 4.894 ( -9.232 13.973 -2.554) 16.942 5.244 ( 12.716 -2.483 7.299) 14.871 5.244 ( 12.716 2.483 7.299) 14.871 5.576 ( 18.857 -3.651 -6.833) 20.386 5.576 ( 18.857 3.651 -6.833) 20.386 5.704 ( 5.130 -7.189 -8.282) 12.107 5.704 ( 5.130 7.189 -8.282) 12.107 6.100 ( 19.992 -5.841 0.002) 20.828 6.100 ( 19.992 5.841 0.002) 20.828 6.609 ( -6.371 -12.800 13.151) 19.426 6.609 ( -6.371 12.800 13.151) 19.426 6.980 ( -4.649 -9.408 -4.575) 11.448 6.980 ( -4.649 9.408 -4.575) 11.448 7.759 ( 0.092 -2.917 0.058) 2.919 7.759 ( 0.092 2.917 0.058) 2.919 7.990 ( -11.701 -1.990 2.371) 12.104 7.990 ( -11.701 1.990 2.371) 12.104 8.249 ( 2.560 -5.817 0.071) 6.355 8.249 ( 2.560 5.817 0.071) 6.355 8.815 ( -6.755 -5.794 -6.577) 11.066 8.815 ( -6.755 5.794 -6.577) 11.066 9.370 ( -1.310 -12.325 -3.407) 12.854 9.370 ( -1.310 12.325 -3.407) 12.854 9.728 ( 1.889 -6.483 2.139) 7.083 9.728 ( 1.889 6.483 2.139) 7.083 10.228 ( 7.164 -6.190 -3.404) 10.061 10.228 ( 7.164 6.190 -3.404) 10.061 10.577 ( 1.139 -4.084 -1.340) 4.446 10.577 ( 1.139 4.084 -1.340) 4.446 10.924 ( 7.416 -6.603 -1.263) 10.009 10.924 ( 7.416 6.603 -1.263) 10.009 11.492 ( -13.977 -6.192 3.340) 15.647 11.492 ( -13.977 6.192 3.340) 15.647 12.082 ( 3.587 -12.023 4.067) 13.189 12.082 ( 3.587 12.023 4.067) 13.189 12.610 ( 9.600 -8.536 -3.413) 13.291 12.610 ( 9.600 8.536 -3.413) 13.291 13.144 ( -0.719 -2.865 1.271) 3.216 13.144 ( -0.719 2.865 1.271) 3.216 13.865 ( 1.079 -9.436 -0.105) 9.499 13.865 ( 1.079 9.436 -0.105) 9.499 14.167 ( -12.663 -2.839 0.256) 12.980 14.167 ( -12.663 2.839 0.256) 12.980 14.349 ( -0.380 -8.054 0.990) 8.123 14.349 ( -0.380 8.054 0.990) 8.123 14.924 ( 2.301 -4.408 1.571) 5.214 14.924 ( 2.301 4.408 1.571) 5.214 15.389 ( 0.460 -11.005 -2.337) 11.259 15.389 ( 0.460 11.005 -2.337) 11.259 16.383 ( -5.057 -10.855 0.944) 12.012 16.383 ( -5.057 10.855 0.944) 12.012 22.503 ( -1.412 -7.607 3.821) 8.629 22.503 ( -1.412 7.607 3.821) 8.629 22.804 ( -4.034 -3.640 -2.987) 6.201 22.804 ( -4.034 3.640 -2.987) 6.201 23.897 ( -1.627 -0.626 -0.225) 1.757 23.897 ( -1.627 0.626 -0.225) 1.757 24.400 ( 4.656 -0.627 0.468) 4.721 24.400 ( 4.656 0.627 0.468) 4.721 24.990 ( -2.077 -4.388 1.197) 5.000 24.990 ( -2.077 4.388 1.197) 5.000 25.369 ( 3.215 -1.041 -1.161) 3.573 25.369 ( 3.215 1.041 -1.161) 3.573 26.158 ( 4.339 -1.138 0.875) 4.570 26.158 ( 4.339 1.138 0.875) 4.570 26.440 ( 2.225 -9.082 -1.288) 9.439 26.440 ( 2.225 9.082 -1.288) 9.439 ======================= Grid point 120 (63/136) ======================= q-point: ( 0.45 -0.50 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( -5.635 -9.689 8.271) 13.929 2.396 ( -5.635 9.689 8.271) 13.929 2.929 ( 3.713 -11.171 4.635) 12.652 2.929 ( 3.713 11.171 4.635) 12.652 3.568 ( -0.096 -5.105 -0.581) 5.138 3.568 ( -0.096 5.105 -0.581) 5.138 3.727 ( 1.482 -4.933 1.115) 5.270 3.727 ( 1.482 4.933 1.115) 5.270 4.490 ( -2.247 -11.278 1.685) 11.623 4.490 ( -2.247 11.278 1.685) 11.623 4.817 ( 0.457 -4.740 2.771) 5.509 4.817 ( 0.457 4.740 2.771) 5.509 5.360 ( -5.149 -2.379 -0.034) 5.673 5.360 ( -5.149 2.379 -0.034) 5.673 5.648 ( 2.304 -7.599 -3.049) 8.505 5.648 ( 2.304 7.599 -3.049) 8.505 5.852 ( 15.745 -13.527 -8.107) 22.284 5.852 ( 15.745 13.527 -8.107) 22.284 6.383 ( 9.764 -2.821 0.442) 10.173 6.383 ( 9.764 2.821 0.442) 10.173 6.615 ( -7.465 -8.197 9.153) 14.377 6.615 ( -7.465 8.197 9.153) 14.377 6.986 ( 7.951 -6.580 -1.044) 10.373 6.986 ( 7.951 6.580 -1.044) 10.373 7.693 ( -7.597 -2.024 -1.583) 8.020 7.693 ( -7.597 2.024 -1.583) 8.020 7.854 ( -6.178 -2.156 4.855) 8.148 7.854 ( -6.178 2.157 4.855) 8.148 8.273 ( -0.068 -1.269 -1.785) 2.191 8.273 ( -0.068 1.269 -1.785) 2.191 8.713 ( 2.430 -5.021 -3.465) 6.567 8.713 ( 2.430 5.021 -3.465) 6.567 9.327 ( 0.238 -12.178 -2.014) 12.345 9.327 ( 0.238 12.178 -2.014) 12.345 9.750 ( 0.796 -14.689 -2.546) 14.929 9.750 ( 0.796 14.689 -2.546) 14.929 10.274 ( -0.052 -4.792 -0.800) 4.859 10.274 ( -0.052 4.792 -0.800) 4.859 10.619 ( 6.571 -3.919 -3.200) 8.293 10.619 ( 6.571 3.919 -3.200) 8.293 10.992 ( 3.334 -4.125 -2.685) 5.945 10.992 ( 3.334 4.125 -2.685) 5.945 11.322 ( -10.117 -7.535 4.821) 13.505 11.322 ( -10.117 7.535 4.821) 13.505 12.069 ( -3.565 -15.627 -7.799) 17.825 12.069 ( -3.565 15.627 -7.799) 17.825 12.754 ( 7.321 -10.039 5.016) 13.399 12.754 ( 7.321 10.039 5.016) 13.399 13.206 ( 2.339 -4.274 3.786) 6.171 13.206 ( 2.339 4.274 3.786) 6.171 13.806 ( -4.032 -5.560 -6.794) 9.661 13.806 ( -4.032 5.560 -6.794) 9.661 14.022 ( -3.947 -5.033 4.369) 7.746 14.022 ( -3.947 5.033 4.369) 7.746 14.385 ( 0.729 -7.009 4.281) 8.245 14.385 ( 0.729 7.009 4.281) 8.245 14.968 ( 0.281 -6.169 2.274) 6.581 14.968 ( 0.281 6.169 2.274) 6.581 15.394 ( 2.060 -9.980 -1.416) 10.288 15.394 ( 2.060 9.980 -1.416) 10.288 16.303 ( -3.278 -10.420 -2.082) 11.121 16.303 ( -3.278 10.420 -2.082) 11.121 22.507 ( -2.495 -8.060 3.137) 9.002 22.507 ( -2.495 8.060 3.137) 9.002 22.748 ( 0.501 -3.311 -1.656) 3.736 22.748 ( 0.501 3.311 -1.656) 3.736 23.888 ( -0.010 -0.588 1.268) 1.398 23.888 ( -0.010 0.588 1.268) 1.398 24.450 ( 1.240 -0.718 -1.049) 1.776 24.450 ( 1.240 0.718 -1.049) 1.776 24.946 ( -2.030 -2.266 -1.936) 3.606 24.946 ( -2.030 2.266 -1.936) 3.606 25.421 ( 2.040 -3.189 1.829) 4.204 25.421 ( 2.040 3.189 1.829) 4.204 26.214 ( 0.917 -2.386 1.382) 2.906 26.214 ( 0.917 2.386 1.382) 2.906 26.459 ( 1.619 -9.728 -1.993) 10.061 26.459 ( 1.619 9.728 -1.993) 10.061 ======================= Grid point 122 (64/136) ======================= q-point: (-0.45 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( -6.421 -15.507 9.128) 19.105 2.381 ( -6.421 15.507 9.128) 19.105 3.109 ( 8.424 -11.417 9.240) 16.932 3.109 ( 8.424 11.417 9.240) 16.932 3.365 ( -14.755 -4.730 -6.712) 16.886 3.365 ( -14.755 4.730 -6.712) 16.886 3.823 ( 3.637 -5.650 5.293) 8.554 3.823 ( 3.637 5.650 5.293) 8.554 4.557 ( 4.884 -5.937 2.743) 8.163 4.557 ( 4.884 5.937 2.743) 8.163 4.910 ( 4.366 -11.413 2.209) 12.418 4.910 ( 4.366 11.413 2.209) 12.418 5.181 ( -8.494 -3.347 -2.254) 9.404 5.181 ( -8.494 3.347 -2.254) 9.404 5.665 ( 2.259 -2.958 -3.557) 5.148 5.665 ( 2.259 2.958 -3.557) 5.148 5.965 ( 5.036 -9.954 -5.688) 12.522 5.965 ( 5.036 9.954 -5.688) 12.522 6.383 ( -11.987 -2.799 0.786) 12.334 6.383 ( -11.987 2.799 0.786) 12.334 6.508 ( -12.429 -6.448 5.089) 14.898 6.508 ( -12.429 6.448 5.089) 14.898 7.118 ( 3.093 -9.339 3.655) 10.495 7.118 ( 3.093 9.339 3.655) 10.495 7.592 ( -1.013 -4.123 2.182) 4.774 7.592 ( -1.013 4.123 2.182) 4.774 7.852 ( 3.302 -5.762 -1.804) 6.881 7.852 ( 3.302 5.762 -1.804) 6.881 8.244 ( -0.418 -3.834 -0.604) 3.904 8.244 ( -0.418 3.834 -0.604) 3.904 8.796 ( 9.182 -1.782 -3.611) 10.027 8.796 ( 9.182 1.782 -3.611) 10.027 9.332 ( 1.755 -12.681 -2.329) 13.012 9.332 ( 1.755 12.681 -2.329) 13.012 9.726 ( -0.543 -15.495 -0.364) 15.509 9.726 ( -0.543 15.495 -0.364) 15.509 10.232 ( -1.583 -2.003 -2.537) 3.599 10.232 ( -1.583 2.003 -2.537) 3.599 10.708 ( 5.404 -5.424 -2.002) 7.914 10.708 ( 5.404 5.424 -2.002) 7.914 11.009 ( 2.044 -2.148 -2.659) 3.983 11.009 ( 2.044 2.148 -2.659) 3.983 11.238 ( -4.796 -4.329 3.713) 7.452 11.238 ( -4.796 4.329 3.713) 7.452 11.866 ( -6.824 -15.808 -10.742) 20.294 11.866 ( -6.824 15.808 -10.742) 20.294 12.918 ( 1.577 -7.421 6.613) 10.064 12.918 ( 1.577 7.421 6.613) 10.064 13.212 ( -4.595 -5.950 3.844) 8.443 13.212 ( -4.595 5.950 3.844) 8.443 13.731 ( 4.945 -6.563 -7.742) 11.290 13.731 ( 4.945 6.563 -7.742) 11.290 14.050 ( -0.332 -1.890 6.030) 6.328 14.050 ( -0.332 1.890 6.030) 6.328 14.455 ( 1.592 -3.856 5.330) 6.768 14.455 ( 1.592 3.856 5.330) 6.768 14.976 ( -0.646 -4.857 0.380) 4.914 14.976 ( -0.646 4.857 0.380) 4.914 15.426 ( 1.551 -7.407 1.351) 7.687 15.426 ( 1.551 7.407 1.351) 7.687 16.242 ( 0.328 -10.007 -4.400) 10.936 16.242 ( 0.328 10.007 -4.400) 10.936 22.482 ( -3.037 -7.079 1.972) 7.952 22.482 ( -3.037 7.079 1.972) 7.952 22.788 ( 4.823 -4.314 0.011) 6.471 22.788 ( 4.823 4.314 0.011) 6.471 23.918 ( 1.189 -0.499 2.247) 2.591 23.918 ( 1.189 0.499 2.247) 2.591 24.419 ( -2.735 -1.043 -2.032) 3.563 24.419 ( -2.735 1.043 -2.032) 3.563 24.901 ( -0.024 -3.833 -3.059) 4.904 24.901 ( -0.024 3.833 -3.059) 4.904 25.464 ( 0.126 -4.264 2.904) 5.161 25.464 ( 0.126 4.264 2.904) 5.161 26.219 ( -1.915 -2.682 1.546) 3.640 26.219 ( -1.915 2.682 1.546) 3.640 26.448 ( -0.452 -10.261 -2.366) 10.540 26.448 ( -0.452 10.261 -2.366) 10.540 ======================= Grid point 124 (65/136) ======================= q-point: (-0.36 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( -7.501 -20.674 7.061) 23.098 2.347 ( -7.501 20.674 7.061) 23.098 2.997 ( -18.661 -12.352 -3.463) 22.645 2.997 ( -18.661 12.352 -3.463) 22.645 3.408 ( 12.889 -5.691 8.485) 16.448 3.408 ( 12.889 5.691 8.485) 16.448 3.912 ( -1.266 -8.212 7.324) 11.076 3.912 ( -1.266 8.212 7.324) 11.076 4.610 ( -4.615 -5.382 0.610) 7.116 4.610 ( -4.615 5.382 0.610) 7.116 4.818 ( -6.014 -4.088 -6.810) 9.963 4.818 ( -6.014 4.088 -6.810) 9.963 5.250 ( 7.423 -6.663 6.585) 11.952 5.250 ( 7.423 6.663 6.585) 11.952 5.616 ( -4.319 -4.966 -6.714) 9.402 5.616 ( -4.319 4.966 -6.714) 9.402 5.853 ( -14.208 -4.155 -2.479) 15.009 5.853 ( -14.208 4.155 -2.479) 15.009 6.111 ( -14.201 -7.248 1.834) 16.048 6.111 ( -14.201 7.248 1.834) 16.048 6.343 ( -7.980 -4.726 2.440) 9.590 6.343 ( -7.980 4.726 2.440) 9.590 7.200 ( 3.512 -10.696 5.295) 12.441 7.200 ( 3.512 10.696 5.295) 12.441 7.679 ( 6.687 -4.076 0.901) 7.883 7.679 ( 6.687 4.076 0.901) 7.883 7.884 ( 3.196 -6.220 -5.508) 8.902 7.884 ( 3.196 6.220 -5.508) 8.902 8.262 ( 0.987 -4.793 2.079) 5.317 8.262 ( 0.987 4.793 2.079) 5.317 8.902 ( 7.818 -6.194 -6.519) 11.916 8.902 ( 7.818 6.194 -6.519) 11.916 9.321 ( 1.869 -6.519 -3.509) 7.636 9.321 ( 1.869 6.519 -3.509) 7.636 9.769 ( 2.177 -12.805 6.329) 14.449 9.769 ( 2.177 12.805 6.329) 14.449 10.197 ( 2.697 -2.889 -6.096) 7.265 10.197 ( 2.697 2.889 -6.096) 7.265 10.696 ( -6.370 -10.386 -0.873) 12.216 10.696 ( -6.370 10.386 -0.873) 12.216 10.977 ( -6.826 -4.690 4.093) 9.238 10.977 ( -6.826 4.690 4.093) 9.238 11.279 ( 10.194 -5.132 -4.497) 12.267 11.279 ( 10.194 5.132 -4.497) 12.267 11.682 ( -3.426 -10.009 -6.653) 12.497 11.682 ( -3.426 10.009 -6.653) 12.497 12.833 ( -14.096 -0.658 3.053) 14.438 12.833 ( -14.096 0.658 3.053) 14.438 13.268 ( 4.634 -2.177 4.332) 6.707 13.268 ( 4.634 2.177 4.332) 6.707 13.758 ( 5.136 -9.751 -6.318) 12.703 13.758 ( 5.136 9.751 -6.318) 12.703 14.111 ( 0.012 -5.869 5.693) 8.176 14.111 ( 0.012 5.869 5.693) 8.176 14.532 ( 0.830 -1.699 4.949) 5.299 14.532 ( 0.830 1.699 4.949) 5.299 14.962 ( 0.494 -3.016 -2.503) 3.950 14.962 ( 0.494 3.016 -2.503) 3.950 15.473 ( 1.268 -4.558 3.422) 5.839 15.473 ( 1.268 4.558 3.422) 5.839 16.237 ( 4.306 -9.222 -4.053) 10.955 16.237 ( 4.306 9.222 -4.053) 10.955 22.453 ( -2.331 -6.128 1.572) 6.742 22.453 ( -2.331 6.128 1.572) 6.742 22.902 ( 7.943 -7.082 0.757) 10.668 22.902 ( 7.943 7.082 0.757) 10.668 23.961 ( 1.152 -0.275 1.578) 1.973 23.961 ( 1.152 0.275 1.578) 1.973 24.337 ( -4.346 -0.521 -1.255) 4.554 24.337 ( -4.346 0.521 -1.255) 4.554 24.884 ( 1.055 -1.803 -2.173) 3.014 24.884 ( 1.055 1.803 -2.173) 3.014 25.479 ( -1.576 -3.141 2.316) 4.208 25.479 ( -1.576 3.141 2.316) 4.208 26.185 ( -4.041 -2.607 1.883) 5.165 26.185 ( -4.041 2.607 1.883) 5.165 26.393 ( -2.817 -10.406 -3.049) 11.204 26.393 ( -2.817 10.406 -3.049) 11.204 ======================= Grid point 126 (66/136) ======================= q-point: (-0.27 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( -8.691 -22.168 0.335) 23.813 2.249 ( -8.691 22.168 0.335) 23.813 2.679 ( -18.236 -13.652 4.368) 23.195 2.679 ( -18.236 13.652 4.368) 23.195 3.677 ( 9.493 -3.470 2.614) 10.440 3.677 ( 9.493 3.470 2.614) 10.440 3.905 ( -9.787 -8.088 7.414) 14.703 3.905 ( -9.787 8.088 7.414) 14.703 4.319 ( -25.227 -11.520 -0.758) 27.743 4.319 ( -25.227 11.520 -0.758) 27.743 4.719 ( -5.721 -2.291 0.186) 6.165 4.719 ( -5.721 2.291 0.186) 6.165 5.258 ( -8.024 -9.420 -4.866) 13.297 5.258 ( -8.024 9.420 -4.866) 13.297 5.428 ( -9.939 -1.309 -1.507) 10.138 5.428 ( -9.939 1.309 -1.507) 10.138 5.607 ( -6.077 -6.083 -1.672) 8.759 5.607 ( -6.077 6.083 -1.672) 8.759 6.036 ( 0.024 -7.105 2.978) 7.704 6.036 ( 0.024 7.105 2.978) 7.704 6.379 ( 8.699 -7.436 5.198) 12.569 6.379 ( 8.699 7.436 5.198) 12.569 7.350 ( 8.201 -8.189 2.135) 11.784 7.350 ( 8.201 8.189 2.135) 11.784 7.750 ( -0.440 -2.118 -2.956) 3.663 7.750 ( -0.440 2.118 -2.956) 3.663 7.886 ( 7.339 -6.103 -5.040) 10.794 7.886 ( 7.339 6.103 -5.040) 10.794 8.277 ( -1.520 -4.703 1.225) 5.092 8.277 ( -1.520 4.703 1.225) 5.092 8.909 ( 0.118 -9.849 -3.901) 10.594 8.909 ( 0.118 9.849 -3.901) 10.594 9.361 ( 4.925 -3.967 -3.113) 7.048 9.361 ( 4.925 3.967 -3.113) 7.048 9.905 ( 4.168 -9.680 8.125) 13.308 9.905 ( 4.168 9.680 8.125) 13.308 10.182 ( 4.481 -3.352 -11.021) 12.360 10.182 ( 4.481 3.352 -11.021) 12.360 10.523 ( -9.438 -8.499 -0.380) 12.706 10.523 ( -9.438 8.499 -0.380) 12.706 10.875 ( -12.839 -8.733 7.626) 17.299 10.875 ( -12.839 8.733 7.626) 17.299 11.389 ( 7.307 -1.188 -8.220) 11.062 11.389 ( 7.307 1.188 -8.220) 11.062 11.657 ( 4.573 -3.642 0.840) 5.906 11.657 ( 4.573 3.642 0.840) 5.906 12.618 ( -11.537 -2.993 1.057) 11.965 12.618 ( -11.537 2.993 1.057) 11.965 13.364 ( 2.456 -0.699 0.923) 2.716 13.364 ( 2.456 0.699 0.923) 2.716 13.786 ( 3.902 -9.288 -2.564) 10.396 13.786 ( 3.902 9.288 -2.564) 10.396 14.141 ( -2.658 -9.072 4.187) 10.339 14.141 ( -2.658 9.072 4.187) 10.339 14.569 ( -1.649 -3.248 3.880) 5.322 14.569 ( -1.649 3.248 3.880) 5.322 14.950 ( 2.221 -2.774 -4.145) 5.459 14.950 ( 2.221 2.774 -4.145) 5.459 15.535 ( 2.741 -2.302 1.528) 3.892 15.535 ( 2.741 2.302 1.528) 3.892 16.315 ( 7.273 -6.942 -0.095) 10.054 16.315 ( 7.273 6.942 -0.095) 10.054 22.437 ( -1.487 -5.786 1.788) 6.236 22.437 ( -1.487 5.786 1.788) 6.236 23.071 ( 10.996 -9.942 0.589) 14.836 23.071 ( 10.996 9.942 0.589) 14.836 23.978 ( 0.074 -0.325 -0.331) 0.470 23.978 ( 0.074 0.325 -0.331) 0.470 24.263 ( -3.788 -1.844 0.652) 4.262 24.263 ( -3.788 1.844 0.652) 4.262 24.893 ( 1.061 -1.560 0.436) 1.936 24.893 ( 1.061 1.560 0.436) 1.936 25.454 ( -2.909 -0.610 0.192) 2.978 25.454 ( -2.909 0.610 0.192) 2.978 26.114 ( -7.183 -1.627 2.044) 7.644 26.114 ( -7.183 1.627 2.044) 7.644 26.301 ( -3.238 -5.631 -3.550) 7.403 26.301 ( -3.238 5.631 -3.550) 7.403 ======================= Grid point 128 (67/136) ======================= q-point: (-0.18 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( -9.862 -15.114 -4.113) 18.510 2.065 ( -9.862 15.114 -4.113) 18.510 2.455 ( -19.688 -5.785 13.330) 24.470 2.455 ( -19.688 5.785 13.330) 24.470 3.530 ( -32.718 -2.927 -1.584) 32.887 3.530 ( -32.718 2.927 -1.584) 32.887 3.754 ( -1.538 -1.349 -3.563) 4.109 3.754 ( -1.538 1.349 -3.563) 4.109 3.987 ( -13.174 -13.633 1.172) 18.994 3.987 ( -13.174 13.633 1.172) 18.994 4.595 ( -11.225 -2.084 8.071) 13.982 4.595 ( -11.225 2.084 8.071) 13.982 5.096 ( -5.200 -9.702 -7.840) 13.514 5.096 ( -5.200 9.702 -7.840) 13.514 5.315 ( 3.189 -10.960 1.418) 11.502 5.315 ( 3.189 10.960 1.418) 11.502 5.598 ( 0.900 -9.209 1.514) 9.375 5.598 ( 0.900 9.209 1.514) 9.375 6.043 ( 1.009 -2.225 -3.888) 4.592 6.043 ( 1.009 2.225 -3.888) 4.592 6.701 ( 17.057 -12.711 9.020) 23.106 6.701 ( 17.057 12.711 9.020) 23.106 7.444 ( 2.752 -2.938 -4.178) 5.802 7.444 ( 2.752 2.938 -4.178) 5.802 7.663 ( -3.442 -3.192 -3.279) 5.727 7.663 ( -3.442 3.192 -3.279) 5.727 8.036 ( 12.140 -2.434 -2.065) 12.553 8.036 ( 12.140 2.434 -2.065) 12.553 8.269 ( 0.977 -6.333 1.442) 6.568 8.269 ( 0.977 6.333 1.442) 6.568 8.861 ( -3.080 -9.941 -0.289) 10.412 8.861 ( -3.080 9.941 -0.289) 10.412 9.368 ( 0.100 -6.439 -3.625) 7.390 9.368 ( 0.100 6.439 -3.625) 7.390 9.955 ( -5.032 -8.646 -1.086) 10.062 9.955 ( -5.032 8.646 -1.086) 10.062 10.166 ( 4.997 -2.269 -5.860) 8.028 10.166 ( 4.997 2.269 -5.860) 8.028 10.446 ( -2.588 -6.283 2.340) 7.187 10.446 ( -2.588 6.283 2.340) 7.187 10.688 ( -11.787 -8.840 1.158) 14.780 10.688 ( -11.787 8.840 1.158) 14.780 11.389 ( -2.263 -9.028 1.423) 9.415 11.389 ( -2.263 9.028 1.423) 9.415 11.768 ( 4.828 -5.088 1.195) 7.115 11.768 ( 4.828 5.088 1.195) 7.115 12.515 ( 0.167 -4.372 -0.770) 4.442 12.515 ( 0.167 4.372 -0.770) 4.442 13.376 ( 0.510 -1.220 -2.080) 2.464 13.376 ( 0.510 1.220 -2.080) 2.464 13.833 ( 1.898 -6.143 0.685) 6.466 13.833 ( 1.898 6.143 0.685) 6.466 14.105 ( -5.056 -7.266 2.495) 9.197 14.105 ( -5.056 7.266 2.495) 9.197 14.559 ( -3.616 -3.887 3.595) 6.412 14.559 ( -3.616 3.887 3.595) 6.412 14.963 ( 4.093 -2.743 -3.988) 6.339 14.963 ( 4.093 2.743 -3.988) 6.339 15.589 ( 3.576 -2.144 -1.581) 4.459 15.589 ( 3.576 2.144 -1.581) 4.459 16.469 ( 7.908 -7.182 3.457) 11.228 16.469 ( 7.908 7.182 3.457) 11.228 22.436 ( -1.035 -5.870 2.286) 6.384 22.436 ( -1.035 5.870 2.286) 6.384 23.285 ( 13.779 -10.648 -0.995) 17.442 23.285 ( 13.779 10.648 -0.995) 17.442 23.970 ( 0.066 -0.236 -0.491) 0.549 23.970 ( 0.066 0.236 -0.491) 0.549 24.215 ( -2.870 -2.687 0.943) 4.043 24.215 ( -2.870 2.687 0.943) 4.043 24.925 ( -0.157 -3.414 3.671) 5.016 24.925 ( -0.157 3.414 3.671) 5.016 25.375 ( -4.679 -2.787 -3.554) 6.503 25.375 ( -4.679 2.787 -3.554) 6.503 25.963 ( -10.979 -5.588 -0.200) 12.321 25.963 ( -10.979 5.588 -0.200) 12.321 26.245 ( -0.624 -3.947 -0.529) 4.031 26.245 ( -0.624 3.947 -0.529) 4.031 ======================= Grid point 130 (68/136) ======================= q-point: (-0.09 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( -12.682 -12.173 -1.862) 17.677 1.842 ( -12.682 12.173 -1.862) 17.677 2.251 ( -19.239 -13.448 15.645) 28.209 2.251 ( -19.239 13.448 15.645) 28.209 3.025 ( -20.256 -2.673 -0.183) 20.433 3.025 ( -20.256 2.673 -0.183) 20.433 3.634 ( -7.282 -15.782 -1.170) 17.420 3.634 ( -7.282 15.782 -1.170) 17.420 3.818 ( -2.913 -14.108 -7.088) 16.055 3.818 ( -2.913 14.108 -7.088) 16.055 4.504 ( -8.638 -1.431 5.720) 10.458 4.504 ( -8.638 1.431 5.720) 10.458 4.995 ( 1.866 -8.432 -5.354) 10.161 4.995 ( 1.866 8.432 -5.354) 10.161 5.438 ( 5.214 -18.194 2.717) 19.121 5.438 ( 5.214 18.194 2.717) 19.121 5.602 ( -2.218 -10.641 -2.335) 11.117 5.602 ( -2.218 10.641 -2.335) 11.117 6.042 ( 3.360 -0.195 0.099) 3.367 6.042 ( 3.360 0.195 0.099) 3.367 7.020 ( 9.997 -11.580 3.623) 15.721 7.020 ( 9.997 11.580 3.623) 15.721 7.413 ( -0.651 -2.631 -5.551) 6.177 7.413 ( -0.651 2.631 -5.551) 6.177 7.602 ( 0.318 -3.108 1.574) 3.498 7.602 ( 0.318 3.108 1.574) 3.498 8.147 ( 3.609 -4.544 -3.129) 6.592 8.147 ( 3.609 4.544 -3.129) 6.592 8.399 ( 9.153 -4.689 2.048) 10.486 8.399 ( 9.153 4.689 2.048) 10.486 8.807 ( -3.001 -7.094 2.035) 7.967 8.807 ( -3.001 7.094 2.035) 7.967 9.340 ( 0.535 -7.532 -1.037) 7.622 9.340 ( 0.535 7.532 -1.037) 7.622 9.834 ( -4.153 -5.188 -2.770) 7.200 9.834 ( -4.153 5.188 -2.770) 7.200 10.098 ( -7.933 -6.259 -3.992) 10.864 10.098 ( -7.933 6.259 -3.992) 10.864 10.383 ( -2.839 -4.922 -1.152) 5.797 10.383 ( -2.839 4.922 -1.152) 5.797 10.629 ( 2.650 -2.054 -0.402) 3.377 10.629 ( 2.650 2.054 -0.402) 3.377 11.333 ( -7.475 -6.430 3.494) 10.461 11.333 ( -7.475 6.430 3.494) 10.461 11.857 ( 3.621 -1.007 4.072) 5.541 11.857 ( 3.621 1.007 4.072) 5.541 12.573 ( 5.571 -8.124 -1.400) 9.950 12.573 ( 5.571 8.124 -1.400) 9.950 13.368 ( 1.493 -1.132 -2.173) 2.869 13.368 ( 1.493 1.132 -2.173) 2.869 13.842 ( -1.905 -2.561 1.089) 3.373 13.842 ( -1.905 2.561 1.089) 3.373 14.041 ( -3.611 -2.601 0.700) 4.505 14.041 ( -3.611 2.601 0.700) 4.505 14.529 ( -4.100 -3.877 4.071) 6.958 14.529 ( -4.100 3.877 4.071) 6.958 15.001 ( 4.364 -3.411 -3.853) 6.747 15.001 ( 4.364 3.411 -3.853) 6.747 15.634 ( 3.506 -4.437 -0.731) 5.702 15.634 ( 3.506 4.437 -0.731) 5.702 16.608 ( 3.721 -11.339 2.121) 12.121 16.608 ( 3.721 11.339 2.121) 12.121 22.444 ( -1.063 -6.055 2.801) 6.756 22.444 ( -1.063 6.055 2.801) 6.756 23.480 ( 11.042 -7.918 -5.554) 14.679 23.480 ( 11.042 7.918 -5.554) 14.679 23.984 ( 1.142 -0.791 0.779) 1.593 23.984 ( 1.142 0.791 0.779) 1.593 24.187 ( -0.882 -2.976 0.375) 3.126 24.187 ( -0.882 2.976 0.375) 3.126 24.923 ( -5.992 -5.018 3.163) 8.431 24.923 ( -5.992 5.018 3.163) 8.431 25.255 ( -1.945 -2.958 -3.616) 5.061 25.255 ( -1.945 2.958 -3.616) 5.061 25.785 ( -7.629 -2.149 -1.477) 8.062 25.785 ( -7.629 2.149 -1.477) 8.062 26.260 ( 0.549 -6.972 3.082) 7.643 26.260 ( 0.549 6.972 3.082) 7.643 ======================= Grid point 154 (69/136) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 23.566 0.000 27.578) 36.275 1.420 ( -4.140 0.000 31.314) 31.587 2.123 ( -7.476 0.000 43.457) 44.095 2.231 ( -10.512 0.000 -18.256) 21.066 2.622 ( 4.376 0.000 -23.509) 23.913 3.118 ( 2.231 0.000 0.737) 2.350 3.452 ( -8.231 0.000 -3.028) 8.771 3.622 ( 2.724 0.000 -10.239) 10.595 3.812 ( -0.344 0.000 7.598) 7.606 3.956 ( -4.107 0.000 -5.471) 6.841 4.123 ( -2.746 0.000 -3.623) 4.546 4.307 ( -2.933 0.000 -8.410) 8.907 4.708 ( 0.591 0.000 7.866) 7.889 5.105 ( 1.067 0.000 -9.076) 9.139 5.119 ( 10.120 0.000 10.251) 14.405 5.416 ( 5.566 0.000 16.980) 17.869 5.606 ( -9.560 0.000 -9.868) 13.739 5.972 ( -10.015 0.000 -9.246) 13.630 6.120 ( 0.198 0.000 -7.821) 7.823 6.208 ( 4.944 0.000 -10.671) 11.760 7.019 ( -21.261 0.000 6.508) 22.235 7.213 ( 15.216 0.000 1.966) 15.343 7.225 ( -2.937 0.000 0.485) 2.977 7.399 ( 4.602 0.000 -4.892) 6.716 7.900 ( 9.592 0.000 9.940) 13.814 7.970 ( 5.735 0.000 0.427) 5.751 8.008 ( 14.712 0.000 14.355) 20.555 8.044 ( -5.076 0.000 2.096) 5.492 8.455 ( -8.809 0.000 -10.469) 13.682 8.768 ( -8.655 0.000 -13.380) 15.935 8.861 ( 11.035 0.000 8.092) 13.684 9.128 ( -3.322 0.000 -0.606) 3.377 9.193 ( 14.538 0.000 -1.931) 14.666 9.224 ( -20.362 0.000 -2.543) 20.520 9.669 ( 11.034 0.000 -0.266) 11.037 9.747 ( -16.886 0.000 -4.094) 17.375 9.971 ( 2.045 0.000 7.689) 7.956 10.240 ( 11.530 0.000 1.243) 11.597 10.454 ( -10.223 0.000 -3.461) 10.793 10.502 ( -19.433 0.000 6.419) 20.466 10.590 ( 4.422 0.000 -1.571) 4.693 10.794 ( 29.608 0.000 -6.305) 30.272 11.462 ( 24.109 0.000 6.934) 25.086 11.687 ( -16.431 0.000 -3.407) 16.780 11.876 ( 6.416 0.000 3.261) 7.197 11.983 ( -7.844 0.000 -0.640) 7.870 12.330 ( 13.088 0.000 5.556) 14.219 12.633 ( 7.496 0.000 -7.784) 10.806 13.050 ( -7.937 0.000 3.583) 8.708 13.302 ( -3.260 0.000 -5.492) 6.386 13.633 ( 1.807 0.000 3.538) 3.973 13.740 ( -5.052 0.000 0.207) 5.056 13.980 ( 5.707 0.000 1.168) 5.825 14.188 ( 5.827 0.000 -3.378) 6.735 14.407 ( -3.005 0.000 -4.300) 5.245 14.427 ( -3.720 0.000 -8.546) 9.320 14.786 ( -5.890 0.000 11.899) 13.277 15.231 ( 1.253 0.000 -5.857) 5.990 15.513 ( -14.539 0.000 9.024) 17.111 15.640 ( 10.265 0.000 3.187) 10.748 16.609 ( 8.608 0.000 7.034) 11.117 17.054 ( -24.667 0.000 -11.025) 27.019 22.249 ( -3.503 0.000 3.569) 5.001 22.412 ( 3.408 0.000 -3.347) 4.776 23.077 ( -4.435 0.000 6.979) 8.269 23.491 ( 1.724 0.000 -11.606) 11.733 23.970 ( -2.677 0.000 0.491) 2.722 23.997 ( 1.622 0.000 -0.599) 1.729 24.221 ( -4.383 0.000 1.811) 4.742 24.280 ( -4.480 0.000 -0.329) 4.492 24.474 ( 9.020 0.000 8.595) 12.459 24.848 ( -9.962 0.000 -7.201) 12.292 25.318 ( 4.434 0.000 1.792) 4.783 25.405 ( -1.941 0.000 -1.898) 2.715 25.651 ( 9.840 0.000 -2.044) 10.050 25.659 ( -7.016 0.000 -1.220) 7.121 26.548 ( 11.680 0.000 3.577) 12.216 26.592 ( -3.383 0.000 1.127) 3.566 ======================= Grid point 155 (70/136) ======================= q-point: ( 0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 2.932 0.000 23.217) 23.401 1.933 ( 19.911 0.000 26.810) 33.395 2.077 ( 13.495 0.000 -21.438) 25.332 2.521 ( 14.007 0.000 -24.156) 27.923 2.619 ( 17.664 0.000 34.168) 38.464 3.226 ( 15.132 0.000 -12.980) 19.936 3.459 ( 14.850 0.000 -4.943) 15.651 3.708 ( 11.601 0.000 4.400) 12.408 3.866 ( 3.511 0.000 -4.799) 5.946 3.923 ( 1.363 0.000 12.000) 12.078 4.067 ( -1.097 0.000 -1.379) 1.762 4.235 ( 3.488 0.000 -6.004) 6.944 4.767 ( -0.528 0.000 5.894) 5.918 4.964 ( -7.006 0.000 -8.572) 11.071 5.372 ( -7.034 0.000 -13.047) 14.823 5.427 ( 12.189 0.000 12.799) 17.675 5.667 ( -9.967 0.000 -10.290) 14.326 5.672 ( -0.289 0.000 18.028) 18.030 6.106 ( 8.482 0.000 -5.535) 10.128 6.179 ( 1.168 0.000 -8.300) 8.382 6.667 ( -22.101 0.000 6.745) 23.107 7.185 ( -6.871 0.000 2.081) 7.180 7.334 ( -1.918 0.000 -3.426) 3.926 7.502 ( 8.688 0.000 -2.116) 8.942 7.829 ( -10.282 0.000 2.206) 10.516 8.013 ( -6.297 0.000 -6.366) 8.955 8.127 ( -0.296 0.000 6.959) 6.965 8.251 ( 2.547 0.000 -1.243) 2.834 8.418 ( 12.293 0.000 15.605) 19.865 8.438 ( -8.791 0.000 -18.934) 20.875 8.851 ( -14.944 0.000 -3.190) 15.281 9.069 ( -7.523 0.000 -5.913) 9.569 9.076 ( 3.052 0.000 7.319) 7.930 9.448 ( 16.385 0.000 0.862) 16.408 9.524 ( -4.934 0.000 -0.020) 4.934 9.921 ( 2.928 0.000 2.641) 3.943 9.994 ( 2.551 0.000 2.113) 3.312 10.195 ( -2.659 0.000 -10.695) 11.020 10.238 ( -6.346 0.000 5.865) 8.641 10.404 ( 0.522 0.000 2.413) 2.469 10.827 ( 18.087 0.000 -1.169) 18.125 11.136 ( 16.819 0.000 0.743) 16.835 11.375 ( -11.713 0.000 -5.908) 13.119 11.793 ( -10.624 0.000 -3.153) 11.082 11.975 ( -0.508 0.000 2.052) 2.114 11.980 ( 22.595 0.000 0.578) 22.603 12.573 ( 16.091 0.000 -8.654) 18.270 12.608 ( 2.544 0.000 -10.916) 11.208 12.995 ( -5.836 0.000 7.959) 9.869 13.212 ( -3.668 0.000 -1.338) 3.904 13.652 ( -4.092 0.000 -1.248) 4.278 13.714 ( 2.881 0.000 5.606) 6.303 14.003 ( -2.426 0.000 -3.634) 4.369 14.242 ( 4.154 0.000 -4.895) 6.420 14.278 ( -4.488 0.000 -5.614) 7.187 14.427 ( 7.439 0.000 1.977) 7.697 14.797 ( -7.395 0.000 12.918) 14.884 15.176 ( -1.043 0.000 -5.714) 5.809 15.292 ( -19.817 0.000 9.303) 21.892 15.791 ( 4.654 0.000 1.004) 4.761 16.609 ( -17.664 0.000 -3.593) 18.026 16.859 ( 7.570 0.000 12.685) 14.772 22.228 ( -2.880 0.000 3.440) 4.486 22.444 ( 3.930 0.000 -3.268) 5.111 23.064 ( -6.338 0.000 9.990) 11.831 23.372 ( -2.825 0.000 -10.228) 10.611 23.963 ( 0.660 0.000 -0.037) 0.661 24.053 ( 4.522 0.000 -0.231) 4.527 24.195 ( -2.156 0.000 4.081) 4.616 24.197 ( -4.460 0.000 1.529) 4.714 24.688 ( -1.137 0.000 -7.488) 7.574 24.785 ( 15.813 0.000 10.481) 18.971 25.344 ( -2.614 0.000 -2.678) 3.742 25.419 ( 5.632 0.000 0.949) 5.711 25.529 ( -5.090 0.000 -3.445) 6.146 25.793 ( 7.722 0.000 -0.265) 7.726 26.515 ( -5.101 0.000 -1.407) 5.291 26.716 ( 7.054 0.000 -2.347) 7.434 ======================= Grid point 156 (71/136) ======================= q-point: ( 0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 4.659 0.000 -17.871) 18.468 2.248 ( 11.476 0.000 12.997) 17.338 2.337 ( 0.162 0.000 24.585) 24.585 2.544 ( 11.641 0.000 -13.685) 17.966 3.328 ( 27.123 0.000 11.786) 29.572 3.462 ( 29.178 0.000 -14.491) 32.578 3.749 ( -3.239 0.000 3.106) 4.487 3.840 ( 30.737 0.000 -2.653) 30.851 4.059 ( 2.253 0.000 1.028) 2.477 4.141 ( 10.519 0.000 17.489) 20.409 4.258 ( 27.823 0.000 3.803) 28.082 4.315 ( 11.897 0.000 -3.351) 12.360 4.690 ( -14.432 0.000 -9.534) 17.297 4.837 ( 3.489 0.000 4.388) 5.606 5.092 ( -4.136 0.000 -12.877) 13.525 5.527 ( 1.220 0.000 -4.979) 5.126 5.729 ( -4.061 0.000 14.408) 14.970 5.768 ( 7.829 0.000 8.629) 11.652 6.029 ( -10.316 0.000 -5.663) 11.768 6.289 ( 13.619 0.000 -0.172) 13.620 6.478 ( -9.779 0.000 8.964) 13.266 6.989 ( -15.946 0.000 -0.546) 15.955 7.083 ( -18.217 0.000 -9.561) 20.574 7.566 ( 2.712 0.000 2.245) 3.520 7.787 ( -3.239 0.000 1.496) 3.568 7.831 ( -0.370 0.000 -9.390) 9.397 8.084 ( -6.555 0.000 -6.716) 9.385 8.158 ( -10.267 0.000 0.067) 10.267 8.292 ( -1.426 0.000 -1.037) 1.763 8.608 ( -8.826 0.000 -5.263) 10.276 8.685 ( 2.792 0.000 9.514) 9.915 8.876 ( -0.494 0.000 -11.355) 11.365 9.031 ( -11.717 0.000 0.776) 11.742 9.488 ( -2.496 0.000 0.138) 2.500 9.732 ( 11.742 0.000 10.014) 15.432 9.908 ( 9.401 0.000 -4.090) 10.252 10.133 ( 5.226 0.000 -4.449) 6.863 10.202 ( 4.272 0.000 -1.529) 4.537 10.337 ( 12.296 0.000 6.960) 14.129 10.427 ( 0.866 0.000 0.214) 0.892 11.105 ( 8.074 0.000 6.320) 10.253 11.258 ( 10.207 0.000 -9.267) 13.786 11.351 ( -1.053 0.000 7.834) 7.905 11.605 ( 0.230 0.000 -9.673) 9.676 11.848 ( -12.437 0.000 -4.472) 13.217 12.196 ( 3.914 0.000 1.234) 4.104 12.566 ( 4.106 0.000 -10.171) 10.968 12.715 ( 14.762 0.000 -15.383) 21.320 13.000 ( -5.390 0.000 13.861) 14.872 13.122 ( -8.716 0.000 4.446) 9.785 13.586 ( -1.711 0.000 -1.773) 2.464 13.800 ( -3.217 0.000 2.834) 4.287 13.926 ( 3.448 0.000 -2.558) 4.293 14.111 ( -2.865 0.000 -11.934) 12.273 14.279 ( -1.077 0.000 3.535) 3.695 14.630 ( 10.805 0.000 2.490) 11.088 14.798 ( -6.358 0.000 12.550) 14.069 15.083 ( -3.143 0.000 -5.482) 6.320 15.099 ( -11.787 0.000 7.988) 14.239 15.833 ( 1.474 0.000 -1.952) 2.445 16.342 ( -12.058 0.000 -1.305) 12.128 17.053 ( -1.088 0.000 12.212) 12.261 22.223 ( -1.826 0.000 3.706) 4.132 22.477 ( 3.900 0.000 -3.439) 5.200 23.058 ( -6.469 0.000 10.224) 12.098 23.197 ( -6.296 0.000 -8.722) 10.757 23.955 ( -1.605 0.000 -0.053) 1.605 24.036 ( -3.704 0.000 -2.227) 4.322 24.248 ( 3.815 0.000 3.487) 5.169 24.279 ( 8.208 0.000 6.374) 10.392 24.620 ( 0.730 0.000 -6.840) 6.879 25.158 ( 9.708 0.000 3.176) 10.215 25.280 ( 1.180 0.000 3.748) 3.929 25.445 ( 0.695 0.000 -2.064) 2.178 25.527 ( 6.612 0.000 -0.527) 6.633 25.907 ( 5.022 0.000 1.415) 5.218 26.409 ( -3.941 0.000 -3.044) 4.980 26.759 ( 2.923 0.000 -4.955) 5.753 ======================= Grid point 157 (72/136) ======================= q-point: ( 0.27 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 5.326 0.000 -16.456) 17.296 2.518 ( -9.855 0.000 28.193) 29.866 2.619 ( 11.839 0.000 17.471) 21.104 2.633 ( 17.060 0.000 -15.906) 23.325 3.631 ( 3.765 0.000 4.958) 6.226 3.765 ( -0.792 0.000 7.330) 7.373 3.818 ( 23.975 0.000 -10.734) 26.268 3.996 ( -2.980 0.000 0.896) 3.112 4.187 ( -18.885 0.000 -12.568) 22.685 4.460 ( 4.763 0.000 -1.147) 4.899 4.472 ( 25.156 0.000 12.103) 27.916 4.629 ( 24.780 0.000 0.977) 24.799 4.778 ( 19.153 0.000 -1.382) 19.203 5.056 ( 21.071 0.000 6.803) 22.141 5.207 ( 26.836 0.000 -0.046) 26.836 5.573 ( 7.951 0.000 -1.723) 8.135 5.746 ( -5.312 0.000 11.331) 12.514 5.770 ( -13.371 0.000 -2.788) 13.659 5.915 ( -0.821 0.000 0.946) 1.253 6.438 ( -8.434 0.000 10.451) 13.430 6.527 ( 12.563 0.000 0.020) 12.563 6.642 ( -18.659 0.000 -9.224) 20.814 6.732 ( -8.323 0.000 -3.641) 9.084 7.620 ( -10.636 0.000 -0.751) 10.662 7.668 ( 1.880 0.000 -3.155) 3.673 7.806 ( 6.180 0.000 -7.815) 9.963 7.824 ( -7.804 0.000 -7.341) 10.714 8.130 ( -4.370 0.000 14.204) 14.861 8.167 ( -9.103 0.000 -2.863) 9.543 8.415 ( -6.500 0.000 -8.210) 10.471 8.714 ( -5.194 0.000 3.842) 6.460 8.835 ( -11.661 0.000 0.457) 11.670 8.845 ( 6.720 0.000 -9.742) 11.835 9.442 ( 0.712 0.000 -3.800) 3.866 9.997 ( 2.818 0.000 -4.691) 5.473 10.051 ( 12.715 0.000 7.428) 14.725 10.214 ( 5.619 0.000 -7.132) 9.079 10.254 ( 6.728 0.000 5.216) 8.514 10.424 ( -2.833 0.000 1.264) 3.103 10.642 ( 13.475 0.000 5.346) 14.497 11.245 ( 2.919 0.000 4.178) 5.097 11.266 ( -5.397 0.000 -1.755) 5.675 11.458 ( 18.914 0.000 -10.114) 21.449 11.553 ( -13.830 0.000 -1.174) 13.880 11.597 ( 0.524 0.000 -3.536) 3.575 12.233 ( 1.581 0.000 -1.036) 1.890 12.490 ( -3.037 0.000 -6.696) 7.352 12.732 ( 1.827 0.000 -10.569) 10.726 13.053 ( -3.302 0.000 4.925) 5.929 13.102 ( 0.042 0.000 12.506) 12.506 13.580 ( 2.432 0.000 1.688) 2.960 13.690 ( -6.852 0.000 -0.781) 6.896 13.929 ( -4.938 0.000 -10.824) 11.897 14.043 ( 6.850 0.000 1.542) 7.022 14.293 ( -2.915 0.000 7.013) 7.595 14.730 ( -3.704 0.000 7.944) 8.765 14.892 ( 2.815 0.000 5.313) 6.013 14.970 ( -3.247 0.000 -5.531) 6.414 15.067 ( 1.663 0.000 5.317) 5.571 15.821 ( 0.982 0.000 -4.144) 4.259 16.147 ( -10.389 0.000 0.206) 10.391 17.045 ( -9.460 0.000 5.119) 10.757 22.239 ( -1.039 0.000 4.229) 4.355 22.510 ( 4.041 0.000 -3.469) 5.325 23.001 ( -6.502 0.000 -7.317) 9.788 23.040 ( -6.987 0.000 8.837) 11.266 23.922 ( -2.213 0.000 0.742) 2.334 23.962 ( -2.507 0.000 -0.841) 2.644 24.371 ( 6.705 0.000 2.009) 6.999 24.522 ( 10.066 0.000 9.016) 13.513 24.563 ( -0.174 0.000 -5.414) 5.417 25.054 ( -7.349 0.000 -7.135) 10.242 25.349 ( 3.683 0.000 -7.786) 8.613 25.624 ( 6.098 0.000 -2.539) 6.606 25.685 ( 10.587 0.000 16.327) 19.459 25.997 ( 3.101 0.000 2.924) 4.262 26.344 ( -0.614 0.000 -1.276) 1.416 26.737 ( 1.676 0.000 -6.343) 6.561 ======================= Grid point 158 (73/136) ======================= q-point: ( 0.36 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 13.864 0.000 0.803) 13.888 2.542 ( -21.117 0.000 30.732) 37.288 2.834 ( 25.757 0.000 -18.913) 31.956 2.933 ( 5.999 0.000 11.010) 12.538 3.708 ( -0.476 0.000 8.337) 8.351 3.766 ( -15.599 0.000 -2.990) 15.883 3.859 ( -2.398 0.000 6.919) 7.323 3.904 ( -6.647 0.000 -2.678) 7.166 4.046 ( 15.588 0.000 -6.930) 17.059 4.533 ( 6.861 0.000 3.506) 7.705 4.743 ( -0.525 0.000 4.347) 4.378 5.024 ( 11.255 0.000 -4.848) 12.255 5.075 ( 23.515 0.000 6.251) 24.332 5.534 ( -9.188 0.000 4.854) 10.391 5.540 ( 15.774 0.000 3.237) 16.102 5.647 ( 10.999 0.000 2.642) 11.312 5.753 ( -7.137 0.000 -8.760) 11.300 5.815 ( 0.086 0.000 6.548) 6.549 5.898 ( 30.762 0.000 2.021) 30.829 6.344 ( -3.398 0.000 -3.710) 5.031 6.380 ( -4.609 0.000 3.806) 5.977 6.677 ( 1.988 0.000 -0.481) 2.045 6.685 ( 7.225 0.000 -5.482) 9.069 7.315 ( -17.609 0.000 -6.744) 18.856 7.591 ( 2.718 0.000 -5.179) 5.849 7.850 ( 6.885 0.000 -7.499) 10.181 7.897 ( 5.619 0.000 6.007) 8.225 7.996 ( -7.191 0.000 -0.987) 7.258 8.186 ( -7.259 0.000 10.260) 12.568 8.259 ( -2.809 0.000 0.563) 2.864 8.568 ( -18.918 0.000 4.002) 19.337 8.678 ( -3.321 0.000 -0.540) 3.365 8.853 ( 4.672 0.000 -8.203) 9.440 9.468 ( 8.475 0.000 -6.622) 10.755 9.890 ( -4.077 0.000 -13.518) 14.120 10.190 ( 4.578 0.000 -7.381) 8.685 10.296 ( 4.886 0.000 -2.963) 5.714 10.325 ( -8.968 0.000 5.728) 10.641 10.446 ( 4.335 0.000 7.632) 8.778 10.855 ( 5.092 0.000 4.850) 7.032 11.208 ( 4.346 0.000 -9.265) 10.234 11.216 ( 3.347 0.000 -7.315) 8.044 11.490 ( -4.090 0.000 7.603) 8.633 11.528 ( -5.377 0.000 2.427) 5.899 11.682 ( 15.370 0.000 -3.436) 15.749 12.206 ( -3.011 0.000 -3.598) 4.691 12.360 ( -7.361 0.000 -0.321) 7.368 12.636 ( 0.338 0.000 -8.490) 8.497 13.078 ( -1.394 0.000 5.138) 5.323 13.175 ( -0.393 0.000 2.174) 2.209 13.587 ( -3.860 0.000 -1.044) 3.999 13.650 ( -0.941 0.000 -7.003) 7.066 13.835 ( 4.291 0.000 10.285) 11.144 14.159 ( 3.924 0.000 3.111) 5.007 14.334 ( -2.421 0.000 10.713) 10.983 14.737 ( -3.463 0.000 5.819) 6.772 14.867 ( -1.964 0.000 -6.240) 6.542 14.914 ( -3.487 0.000 3.980) 5.291 15.239 ( 10.325 0.000 3.296) 10.838 15.786 ( 0.612 0.000 -5.697) 5.730 15.995 ( -8.730 0.000 2.706) 9.140 16.869 ( -11.082 0.000 -3.145) 11.519 22.268 ( -0.964 0.000 4.726) 4.823 22.543 ( 3.771 0.000 -3.749) 5.317 22.859 ( -2.248 0.000 -4.503) 5.033 22.993 ( -7.592 0.000 6.450) 9.962 23.905 ( -1.079 0.000 1.757) 2.062 23.939 ( -0.512 0.000 1.128) 1.238 24.459 ( 2.671 0.000 -6.410) 6.944 24.553 ( 3.342 0.000 4.006) 5.217 24.761 ( 3.496 0.000 7.603) 8.368 24.845 ( -4.448 0.000 -7.289) 8.539 25.328 ( 3.431 0.000 -7.979) 8.686 25.672 ( 3.492 0.000 -4.579) 5.759 25.951 ( 4.795 0.000 9.971) 11.065 26.069 ( 1.153 0.000 3.687) 3.863 26.363 ( 0.362 0.000 4.253) 4.269 26.706 ( 3.010 0.000 -6.890) 7.519 ======================= Grid point 159 (74/136) ======================= q-point: ( 0.45 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 19.164 0.000 12.232) 22.734 2.427 ( -24.482 0.000 24.431) 34.587 2.998 ( -7.850 0.000 4.931) 9.270 3.107 ( 25.124 0.000 -14.587) 29.052 3.469 ( -14.090 0.000 0.043) 14.090 3.722 ( -6.893 0.000 -7.088) 9.887 3.813 ( -0.429 0.000 12.276) 12.283 3.988 ( 9.344 0.000 6.614) 11.448 4.272 ( 13.770 0.000 -1.114) 13.815 4.699 ( -6.521 0.000 0.583) 6.547 4.773 ( 9.721 0.000 13.180) 16.377 5.042 ( 1.495 0.000 -7.372) 7.522 5.175 ( -16.575 0.000 -11.329) 20.077 5.553 ( 1.669 0.000 9.405) 9.552 5.571 ( 4.859 0.000 0.975) 4.956 5.707 ( 1.550 0.000 -0.501) 1.629 5.806 ( 2.876 0.000 9.025) 9.472 5.913 ( -0.001 0.000 8.118) 8.118 6.262 ( 3.436 0.000 -0.519) 3.475 6.327 ( 1.881 0.000 -9.114) 9.306 6.511 ( 16.180 0.000 1.917) 16.293 6.696 ( 1.363 0.000 -2.281) 2.657 6.789 ( 5.608 0.000 0.921) 5.683 6.972 ( -6.096 0.000 -13.464) 14.780 7.635 ( 3.241 0.000 -0.413) 3.267 7.847 ( 0.810 0.000 -8.083) 8.123 7.929 ( -0.889 0.000 1.146) 1.450 7.966 ( -2.040 0.000 0.540) 2.110 8.143 ( -0.771 0.000 2.427) 2.547 8.290 ( -13.858 0.000 3.373) 14.263 8.360 ( 0.958 0.000 17.328) 17.354 8.646 ( -1.358 0.000 1.352) 1.917 8.874 ( 6.834 0.000 -5.227) 8.603 9.586 ( 12.618 0.000 -6.414) 14.155 9.601 ( -7.511 0.000 -22.557) 23.775 10.100 ( -6.644 0.000 -8.168) 10.529 10.228 ( -5.396 0.000 1.309) 5.552 10.263 ( 1.559 0.000 -8.307) 8.452 10.580 ( -1.902 0.000 13.903) 14.033 10.964 ( 3.525 0.000 2.888) 4.557 11.140 ( -6.052 0.000 -3.886) 7.193 11.304 ( 14.031 0.000 -9.153) 16.753 11.459 ( -6.913 0.000 6.670) 9.606 11.554 ( 5.432 0.000 2.280) 5.891 11.869 ( 8.537 0.000 -0.968) 8.592 12.084 ( -4.802 0.000 -4.690) 6.713 12.244 ( -7.726 0.000 2.853) 8.236 12.579 ( 3.542 0.000 -10.991) 11.548 13.078 ( -6.019 0.000 7.398) 9.538 13.158 ( -1.731 0.000 -0.723) 1.876 13.535 ( -1.494 0.000 -4.057) 4.323 13.540 ( -0.196 0.000 -2.114) 2.123 14.135 ( 10.665 0.000 14.959) 18.372 14.242 ( 1.020 0.000 5.269) 5.367 14.427 ( -0.387 0.000 12.431) 12.437 14.710 ( -4.250 0.000 1.099) 4.390 14.775 ( -1.061 0.000 -7.022) 7.102 14.894 ( -1.704 0.000 1.938) 2.581 15.437 ( 9.093 0.000 1.983) 9.307 15.723 ( -0.770 0.000 -6.925) 6.968 15.920 ( -5.626 0.000 7.978) 9.762 16.644 ( -7.305 0.000 -8.815) 11.448 22.296 ( -1.471 0.000 5.053) 5.262 22.548 ( 1.656 0.000 -4.630) 4.917 22.858 ( 5.255 0.000 -0.839) 5.322 22.911 ( -7.710 0.000 3.570) 8.496 23.925 ( 0.654 0.000 2.971) 3.042 23.958 ( 0.521 0.000 2.148) 2.210 24.407 ( -0.456 0.000 -4.842) 4.863 24.586 ( -9.022 0.000 -7.352) 11.638 24.686 ( 5.540 0.000 4.650) 7.233 24.945 ( 3.513 0.000 1.843) 3.967 25.324 ( 3.129 0.000 -2.728) 4.152 25.648 ( 0.137 0.000 -6.424) 6.425 26.074 ( 1.919 0.000 4.571) 4.957 26.097 ( -2.121 0.000 3.129) 3.781 26.404 ( -2.873 0.000 6.856) 7.434 26.714 ( 5.740 0.000 -6.408) 8.603 ======================= Grid point 160 (75/136) ======================= q-point: (-0.45 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( -26.343 0.000 16.749) 31.217 2.526 ( 0.404 0.000 10.674) 10.682 2.813 ( -6.400 0.000 5.937) 8.730 3.339 ( 13.327 0.000 -12.792) 18.473 3.411 ( 3.505 0.000 5.837) 6.809 3.576 ( 0.850 0.000 -3.027) 3.144 3.942 ( 1.542 0.000 9.064) 9.194 4.245 ( 10.484 0.000 0.102) 10.484 4.424 ( 7.496 0.000 1.538) 7.652 4.549 ( -10.571 0.000 -1.304) 10.651 4.682 ( -21.477 0.000 -12.978) 25.094 5.040 ( 1.847 0.000 10.430) 10.592 5.110 ( 12.727 0.000 6.589) 14.332 5.485 ( -12.142 0.000 -6.775) 13.904 5.664 ( 1.487 0.000 4.290) 4.540 5.704 ( -2.190 0.000 -0.232) 2.202 5.957 ( 2.109 0.000 5.654) 6.034 5.973 ( -2.623 0.000 5.521) 6.112 6.180 ( -12.408 0.000 3.830) 12.986 6.226 ( -8.545 0.000 -1.978) 8.771 6.547 ( -10.051 0.000 5.682) 11.546 6.609 ( -7.340 0.000 -9.533) 12.031 6.786 ( 8.765 0.000 -4.098) 9.676 7.041 ( 13.614 0.000 -8.918) 16.275 7.642 ( -3.778 0.000 0.889) 3.881 7.717 ( -4.114 0.000 -7.843) 8.857 7.927 ( -1.334 0.000 3.530) 3.774 7.955 ( 2.073 0.000 -1.350) 2.474 8.240 ( 6.450 0.000 5.829) 8.694 8.272 ( 6.763 0.000 2.895) 7.357 8.567 ( 7.059 0.000 8.542) 11.081 8.639 ( -2.421 0.000 2.412) 3.417 8.992 ( 9.591 0.000 -0.119) 9.591 9.245 ( -6.277 0.000 -21.901) 22.782 9.763 ( 11.308 0.000 0.170) 11.309 9.843 ( -7.979 0.000 -15.268) 17.227 10.168 ( -1.542 0.000 -1.919) 2.462 10.235 ( 2.529 0.000 -3.037) 3.952 10.662 ( -5.302 0.000 15.629) 16.504 10.985 ( -3.298 0.000 -1.896) 3.804 10.985 ( -9.244 0.000 1.296) 9.334 11.357 ( -2.860 0.000 0.278) 2.873 11.472 ( 5.673 0.000 -3.327) 6.576 11.686 ( 8.305 0.000 -2.362) 8.635 11.969 ( -2.860 0.000 -6.203) 6.830 11.993 ( 7.450 0.000 1.174) 7.542 12.150 ( -6.452 0.000 3.262) 7.229 12.531 ( 3.064 0.000 -8.954) 9.463 13.042 ( -5.271 0.000 6.325) 8.233 13.129 ( -2.394 0.000 2.939) 3.791 13.518 ( -0.131 0.000 -2.438) 2.441 13.529 ( 2.858 0.000 -1.160) 3.085 14.293 ( -2.674 0.000 6.581) 7.103 14.422 ( 5.994 0.000 10.354) 11.964 14.549 ( 1.248 0.000 7.666) 7.767 14.625 ( -3.871 0.000 -2.299) 4.502 14.719 ( 2.802 0.000 -2.102) 3.503 14.893 ( 0.814 0.000 -1.387) 1.608 15.558 ( 4.511 0.000 -2.103) 4.977 15.618 ( -2.669 0.000 -8.230) 8.651 15.998 ( 0.714 0.000 17.238) 17.253 16.463 ( -1.790 0.000 -11.287) 11.428 22.318 ( -2.130 0.000 5.310) 5.722 22.521 ( 0.938 0.000 -4.597) 4.691 22.809 ( -6.707 0.000 1.329) 6.837 22.995 ( 10.282 0.000 0.306) 10.287 23.977 ( 1.502 0.000 2.776) 3.156 23.988 ( 0.539 0.000 1.315) 1.421 24.372 ( -0.031 0.000 -0.102) 0.107 24.383 ( -7.038 0.000 -4.713) 8.471 24.821 ( 4.715 0.000 4.340) 6.409 24.930 ( -1.908 0.000 -5.986) 6.282 25.386 ( 2.343 0.000 4.248) 4.852 25.547 ( -3.287 0.000 -8.516) 9.128 26.062 ( -4.742 0.000 2.277) 5.260 26.120 ( -1.442 0.000 3.599) 3.877 26.404 ( -3.668 0.000 5.733) 6.806 26.764 ( 6.915 0.000 -6.213) 9.297 ======================= Grid point 161 (76/136) ======================= q-point: (-0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -27.412 0.000 8.568) 28.720 2.208 ( -30.821 0.000 6.995) 31.604 3.115 ( 17.382 0.000 8.126) 19.187 3.269 ( -3.650 0.000 -9.695) 10.359 3.610 ( 9.289 0.000 7.710) 12.071 3.667 ( -0.089 0.000 2.687) 2.688 3.969 ( -1.403 0.000 -5.408) 5.587 4.179 ( -4.558 0.000 -12.755) 13.545 4.308 ( -11.409 0.000 -8.997) 14.530 4.347 ( -9.906 0.000 8.084) 12.786 4.732 ( 13.755 0.000 12.818) 18.802 5.117 ( -19.053 0.000 -8.339) 20.798 5.163 ( 0.088 0.000 8.751) 8.752 5.324 ( -3.788 0.000 1.958) 4.264 5.612 ( -11.769 0.000 2.953) 12.134 5.622 ( -23.335 0.000 -3.430) 23.585 5.712 ( -0.155 0.000 4.847) 4.850 5.810 ( -24.232 0.000 3.394) 24.468 6.031 ( -0.762 0.000 -10.451) 10.479 6.231 ( -4.026 0.000 13.651) 14.233 6.481 ( 5.207 0.000 -2.464) 5.760 6.528 ( 7.419 0.000 -7.105) 10.272 6.918 ( 4.786 0.000 9.677) 10.796 7.121 ( 8.380 0.000 -13.816) 16.159 7.588 ( -3.023 0.000 3.411) 4.558 7.609 ( 2.048 0.000 -9.545) 9.763 7.974 ( 2.990 0.000 -2.701) 4.029 7.993 ( 4.546 0.000 1.576) 4.812 8.398 ( 4.176 0.000 -3.151) 5.232 8.418 ( 2.469 0.000 11.916) 12.169 8.587 ( -6.921 0.000 2.810) 7.469 8.775 ( 12.766 0.000 -0.645) 12.782 8.991 ( -0.765 0.000 -16.709) 16.726 9.180 ( 8.588 0.000 6.706) 10.896 9.584 ( -2.413 0.000 -15.923) 16.105 9.913 ( -0.850 0.000 7.165) 7.215 10.153 ( 3.743 0.000 -3.101) 4.861 10.315 ( 7.919 0.000 1.643) 8.087 10.743 ( -1.098 0.000 13.516) 13.561 10.814 ( -12.197 0.000 -3.132) 12.593 10.876 ( -6.391 0.000 3.823) 7.447 11.281 ( -8.105 0.000 0.494) 8.120 11.479 ( 0.771 0.000 -4.456) 4.522 11.698 ( -2.387 0.000 -12.893) 13.112 11.873 ( -0.067 0.000 -3.138) 3.138 12.106 ( 3.153 0.000 0.115) 3.155 12.172 ( 3.816 0.000 8.036) 8.896 12.515 ( 2.666 0.000 -5.024) 5.687 13.059 ( 2.013 0.000 4.062) 4.533 13.138 ( -0.620 0.000 3.860) 3.909 13.483 ( -1.718 0.000 -0.815) 1.902 13.579 ( 3.400 0.000 -0.423) 3.426 14.246 ( -7.639 0.000 0.958) 7.699 14.450 ( -2.475 0.000 -5.749) 6.259 14.581 ( -0.271 0.000 1.776) 1.796 14.658 ( 1.391 0.000 9.857) 9.955 14.863 ( 8.660 0.000 4.951) 9.975 14.881 ( 2.248 0.000 -6.870) 7.228 15.475 ( -2.933 0.000 -9.844) 10.271 15.568 ( -0.249 0.000 -1.526) 1.547 16.278 ( 7.770 0.000 23.317) 24.578 16.359 ( 2.455 0.000 -10.797) 11.073 22.329 ( -2.914 0.000 5.398) 6.134 22.490 ( 0.673 0.000 -4.622) 4.671 22.725 ( -4.043 0.000 1.299) 4.247 23.192 ( 12.607 0.000 -1.085) 12.653 23.993 ( 0.005 0.000 -1.054) 1.054 24.006 ( 0.146 0.000 -0.354) 0.383 24.264 ( -4.344 0.000 0.300) 4.354 24.428 ( 2.478 0.000 7.735) 8.122 24.796 ( -5.149 0.000 -7.394) 9.010 24.930 ( 3.270 0.000 3.817) 5.026 25.365 ( -6.595 0.000 -10.765) 12.624 25.458 ( 0.116 0.000 5.182) 5.183 25.995 ( -5.339 0.000 2.168) 5.762 26.090 ( -6.280 0.000 3.860) 7.371 26.420 ( -0.092 0.000 4.486) 4.487 26.801 ( 5.338 0.000 -8.609) 10.129 ======================= Grid point 162 (77/136) ======================= q-point: (-0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -26.763 0.000 2.901) 26.919 1.764 ( -31.725 0.000 12.930) 34.259 2.997 ( -24.652 0.000 0.189) 24.653 3.431 ( 12.756 0.000 1.651) 12.862 3.509 ( -12.950 0.000 -5.075) 13.909 3.796 ( 1.585 0.000 1.545) 2.213 3.918 ( -8.580 0.000 7.577) 11.447 3.934 ( -9.518 0.000 -6.141) 11.327 4.051 ( -4.177 0.000 -7.173) 8.301 4.395 ( 4.362 0.000 2.089) 4.836 4.719 ( -39.747 0.000 -5.201) 40.086 4.736 ( -17.702 0.000 -3.589) 18.063 5.013 ( 2.798 0.000 1.700) 3.274 5.116 ( -17.318 0.000 5.875) 18.287 5.321 ( -27.037 0.000 -2.357) 27.139 5.399 ( -17.124 0.000 3.968) 17.577 5.604 ( 14.508 0.000 2.758) 14.768 5.866 ( 8.260 0.000 6.144) 10.295 6.010 ( 8.821 0.000 -10.218) 13.499 6.268 ( -2.760 0.000 10.968) 11.310 6.612 ( 10.558 0.000 -6.001) 12.144 6.661 ( 11.927 0.000 -2.605) 12.208 7.102 ( 10.071 0.000 -16.993) 19.753 7.125 ( 3.332 0.000 15.209) 15.570 7.590 ( -0.602 0.000 1.660) 1.766 7.623 ( 9.246 0.000 -5.772) 10.900 7.952 ( -3.513 0.000 -5.556) 6.574 8.080 ( 3.580 0.000 0.376) 3.600 8.338 ( -4.266 0.000 -3.127) 5.289 8.524 ( -0.648 0.000 1.520) 1.653 8.566 ( 2.818 0.000 10.538) 10.908 8.863 ( 3.279 0.000 -14.177) 14.552 8.942 ( 7.393 0.000 -2.987) 7.974 9.433 ( 7.451 0.000 15.685) 17.365 9.462 ( 2.819 0.000 -9.657) 10.060 9.889 ( -7.430 0.000 6.503) 9.874 10.181 ( 0.225 0.000 -2.063) 2.075 10.478 ( 2.921 0.000 0.428) 2.952 10.560 ( -10.073 0.000 -3.438) 10.643 10.828 ( -4.128 0.000 3.299) 5.284 10.921 ( 6.049 0.000 12.057) 13.489 11.105 ( -10.547 0.000 2.882) 10.933 11.386 ( -13.727 0.000 -17.430) 22.186 11.456 ( -1.521 0.000 1.400) 2.067 11.860 ( 1.779 0.000 -5.050) 5.354 12.189 ( 5.488 0.000 0.241) 5.493 12.286 ( -0.439 0.000 6.889) 6.903 12.476 ( -2.585 0.000 -5.119) 5.735 13.187 ( 2.718 0.000 1.856) 3.291 13.194 ( 8.859 0.000 3.210) 9.422 13.460 ( -1.620 0.000 2.524) 2.999 13.634 ( 3.058 0.000 0.844) 3.172 14.082 ( -7.760 0.000 -5.490) 9.506 14.326 ( -3.169 0.000 -8.043) 8.645 14.629 ( -0.255 0.000 7.183) 7.188 14.737 ( -2.158 0.000 5.902) 6.284 14.822 ( 2.490 0.000 -13.254) 13.486 15.050 ( 7.920 0.000 3.545) 8.677 15.343 ( 0.312 0.000 -10.757) 10.762 15.546 ( -2.631 0.000 3.247) 4.179 16.326 ( 4.542 0.000 -7.916) 9.126 16.719 ( 15.119 0.000 25.017) 29.230 22.322 ( -3.885 0.000 4.758) 6.142 22.452 ( 0.439 0.000 -4.704) 4.725 22.719 ( 0.380 0.000 4.717) 4.732 23.383 ( 12.585 0.000 -4.809) 13.472 23.982 ( 0.714 0.000 -1.450) 1.616 23.986 ( -0.754 0.000 -1.556) 1.729 24.225 ( -3.245 0.000 3.708) 4.927 24.594 ( 3.692 0.000 12.849) 13.369 24.627 ( -6.494 0.000 -5.539) 8.535 25.006 ( 2.460 0.000 0.438) 2.498 25.121 ( -8.485 0.000 -9.529) 12.759 25.489 ( -1.614 0.000 3.736) 4.070 25.934 ( -4.472 0.000 2.632) 5.189 26.000 ( -7.934 0.000 3.409) 8.635 26.484 ( 1.973 0.000 4.235) 4.672 26.741 ( 0.286 0.000 -15.179) 15.181 ======================= Grid point 163 (78/136) ======================= q-point: (-0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -23.351 0.000 6.199) 24.160 1.419 ( -27.732 0.000 21.650) 35.182 2.472 ( -45.362 0.000 20.746) 49.880 3.173 ( -10.271 0.000 -18.501) 21.160 3.450 ( -18.241 0.000 -12.788) 22.277 3.561 ( -18.081 0.000 4.650) 18.669 3.760 ( -10.914 0.000 -4.833) 11.936 3.817 ( -11.539 0.000 8.441) 14.297 4.041 ( -2.217 0.000 4.898) 5.377 4.183 ( -10.810 0.000 0.122) 10.811 4.397 ( -9.959 0.000 -3.383) 10.518 4.471 ( -3.767 0.000 -2.180) 4.352 4.755 ( -16.289 0.000 -5.176) 17.092 4.913 ( -11.880 0.000 -1.256) 11.946 5.100 ( 6.082 0.000 -6.796) 9.120 5.250 ( -7.946 0.000 7.177) 10.708 5.911 ( 9.724 0.000 5.803) 11.323 6.023 ( 6.468 0.000 -1.766) 6.704 6.091 ( 10.686 0.000 -8.002) 13.350 6.325 ( -1.444 0.000 2.802) 3.152 6.739 ( 9.979 0.000 2.665) 10.328 6.815 ( 7.435 0.000 -1.676) 7.621 7.197 ( 17.815 0.000 -11.873) 21.409 7.323 ( 5.298 0.000 11.181) 12.373 7.614 ( 5.375 0.000 -2.541) 5.945 7.648 ( -7.497 0.000 -4.893) 8.952 7.845 ( 0.315 0.000 -0.081) 0.325 8.110 ( -2.096 0.000 3.811) 4.349 8.316 ( 2.280 0.000 5.189) 5.668 8.599 ( 7.352 0.000 0.778) 7.393 8.769 ( 10.207 0.000 9.644) 14.043 8.808 ( 8.114 0.000 -15.647) 17.625 8.979 ( 0.442 0.000 -0.424) 0.613 9.485 ( 6.822 0.000 -2.370) 7.222 9.653 ( -3.202 0.000 12.753) 13.148 9.870 ( -0.268 0.000 6.589) 6.594 10.115 ( -3.555 0.000 -1.205) 3.754 10.228 ( -17.202 0.000 -4.069) 17.676 10.497 ( -1.889 0.000 -5.428) 5.747 10.726 ( -9.598 0.000 -10.385) 14.141 10.901 ( -19.229 0.000 -5.664) 20.046 11.049 ( -11.898 0.000 15.994) 19.935 11.183 ( 6.337 0.000 6.845) 9.328 11.484 ( 5.986 0.000 0.034) 5.986 11.846 ( 4.416 0.000 -5.879) 7.352 12.203 ( -7.749 0.000 2.742) 8.220 12.326 ( -9.428 0.000 -1.643) 9.570 12.364 ( 7.739 0.000 0.106) 7.740 13.230 ( -0.435 0.000 0.484) 0.651 13.387 ( 7.803 0.000 4.151) 8.839 13.473 ( 0.797 0.000 0.289) 0.848 13.714 ( 4.039 0.000 2.957) 5.006 13.911 ( -4.201 0.000 -5.693) 7.075 14.199 ( -1.264 0.000 -8.650) 8.742 14.684 ( -3.329 0.000 1.068) 3.497 14.696 ( -5.318 0.000 -0.475) 5.339 14.718 ( 1.917 0.000 -6.427) 6.707 15.207 ( 6.493 0.000 2.568) 6.983 15.289 ( 5.566 0.000 -9.184) 10.739 15.556 ( -2.800 0.000 7.791) 8.279 16.354 ( 5.428 0.000 -3.643) 6.538 17.244 ( 19.874 0.000 13.849) 24.224 22.297 ( -4.045 0.000 4.193) 5.827 22.416 ( 0.913 0.000 -4.427) 4.520 22.839 ( 5.324 0.000 8.803) 10.288 23.508 ( 10.061 0.000 -9.257) 13.672 23.971 ( 0.243 0.000 0.176) 0.300 23.994 ( 1.704 0.000 -0.938) 1.945 24.218 ( -2.277 0.000 5.032) 5.524 24.480 ( -5.996 0.000 -2.149) 6.369 24.670 ( -7.659 0.000 -5.148) 9.228 24.952 ( 4.526 0.000 1.807) 4.874 25.099 ( 1.489 0.000 6.507) 6.675 25.482 ( -2.231 0.000 1.649) 2.774 25.882 ( -4.737 0.000 -0.729) 4.793 25.896 ( -7.661 0.000 2.393) 8.026 26.480 ( -9.236 0.000 -18.811) 20.956 26.558 ( 1.557 0.000 3.945) 4.241 ======================= Grid point 164 (79/136) ======================= q-point: (-0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( -13.065 0.000 22.881) 26.348 1.287 ( -17.051 0.000 29.521) 34.091 2.048 ( -33.483 0.000 37.868) 50.548 2.788 ( -34.023 0.000 -12.106) 36.112 2.846 ( -3.518 0.000 -22.270) 22.546 3.229 ( -17.769 0.000 3.701) 18.150 3.686 ( 3.225 0.000 -10.139) 10.640 3.694 ( -15.498 0.000 7.422) 17.183 3.847 ( -12.048 0.000 -1.622) 12.157 4.079 ( -4.224 0.000 -3.527) 5.503 4.233 ( -5.308 0.000 -4.051) 6.677 4.483 ( -7.872 0.000 -8.255) 11.407 4.552 ( 6.773 0.000 8.884) 11.171 4.901 ( 5.582 0.000 3.729) 6.713 5.127 ( 5.907 0.000 -8.671) 10.492 5.249 ( -2.175 0.000 10.288) 10.515 5.878 ( -9.143 0.000 -7.433) 11.783 6.099 ( 3.290 0.000 -4.211) 5.344 6.169 ( 5.036 0.000 -7.040) 8.656 6.268 ( -0.627 0.000 -7.801) 7.826 6.946 ( 12.322 0.000 -0.792) 12.347 7.000 ( 7.415 0.000 11.384) 13.586 7.356 ( 7.946 0.000 -4.775) 9.270 7.410 ( -8.634 0.000 -1.956) 8.853 7.614 ( 7.427 0.000 13.378) 15.302 7.766 ( 16.524 0.000 -6.082) 17.608 7.797 ( -3.331 0.000 3.677) 4.962 8.107 ( -5.382 0.000 7.736) 9.424 8.504 ( 8.743 0.000 5.435) 10.294 8.686 ( 4.296 0.000 -5.378) 6.883 8.926 ( 18.546 0.000 -4.654) 19.121 8.928 ( -0.493 0.000 -3.637) 3.670 9.102 ( 7.949 0.000 4.498) 9.133 9.595 ( 4.934 0.000 -1.271) 5.095 9.618 ( -13.751 0.000 1.027) 13.789 9.867 ( 9.020 0.000 1.030) 9.078 9.942 ( -9.035 0.000 0.157) 9.037 10.162 ( -10.971 0.000 -6.499) 12.751 10.336 ( 4.020 0.000 5.878) 7.121 10.455 ( 2.841 0.000 -2.265) 3.633 10.676 ( -10.969 0.000 -0.167) 10.970 10.882 ( -24.111 0.000 12.936) 27.362 11.265 ( 0.153 0.000 0.924) 0.937 11.660 ( 11.097 0.000 1.931) 11.263 11.964 ( 10.806 0.000 1.491) 10.908 12.015 ( -15.129 0.000 0.228) 15.131 12.187 ( -7.603 0.000 5.837) 9.585 12.517 ( 11.192 0.000 -3.496) 11.725 13.168 ( -6.914 0.000 0.791) 6.959 13.414 ( -4.417 0.000 -1.586) 4.693 13.553 ( 7.061 0.000 -1.464) 7.211 13.786 ( -0.982 0.000 3.102) 3.254 13.875 ( 2.852 0.000 1.197) 3.093 14.141 ( 4.600 0.000 -7.405) 8.717 14.543 ( -3.175 0.000 -10.165) 10.649 14.572 ( -4.884 0.000 -5.662) 7.478 14.758 ( -3.692 0.000 10.244) 10.889 15.253 ( 2.831 0.000 -5.425) 6.119 15.418 ( 11.481 0.000 1.454) 11.573 15.583 ( -5.119 0.000 9.055) 10.402 16.441 ( 6.451 0.000 1.161) 6.555 17.462 ( -1.345 0.000 -11.189) 11.270 22.272 ( -3.664 0.000 3.973) 5.405 22.400 ( 2.156 0.000 -3.838) 4.402 23.022 ( 4.274 0.000 6.626) 7.885 23.541 ( 6.137 0.000 -11.570) 13.097 23.995 ( 0.163 0.000 1.797) 1.804 23.999 ( 0.071 0.000 -1.281) 1.283 24.274 ( 3.787 0.000 3.713) 5.304 24.382 ( -5.586 0.000 2.661) 6.188 24.383 ( -11.165 0.000 -9.477) 14.645 25.060 ( -2.808 0.000 1.728) 3.297 25.230 ( 5.023 0.000 3.923) 6.374 25.450 ( -2.096 0.000 -0.367) 2.128 25.636 ( -8.653 0.000 -11.962) 14.764 25.784 ( -7.390 0.000 0.838) 7.437 26.326 ( 3.690 0.000 5.629) 6.731 26.604 ( -0.562 0.000 2.997) 3.049 ======================= Grid point 165 (80/136) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 15.343 6.758 25.703) 30.687 1.658 ( -1.836 16.587 26.307) 31.154 2.238 ( -7.948 0.697 -15.608) 17.529 2.310 ( -5.911 17.174 33.485) 38.094 2.688 ( 3.459 6.446 -19.317) 20.656 3.085 ( 1.320 -3.250 -2.537) 4.329 3.317 ( -2.105 -11.104 0.520) 11.314 3.487 ( -2.977 -7.780 6.474) 10.550 3.891 ( -3.357 -7.077 -4.300) 8.936 3.976 ( 0.520 9.404 -12.101) 15.334 4.124 ( -2.723 1.406 -0.410) 3.092 4.332 ( -2.787 2.149 -5.812) 6.795 4.752 ( 0.296 4.489 5.592) 7.177 5.003 ( 4.181 -3.793 -3.489) 6.637 5.226 ( 4.461 5.079 5.517) 8.725 5.453 ( 6.710 0.844 8.026) 10.495 5.539 ( -6.373 -6.156 -7.712) 11.747 5.981 ( -11.380 2.899 -4.393) 12.539 6.035 ( -1.660 -6.844 -5.596) 8.995 6.297 ( 6.810 5.984 -8.627) 12.515 6.910 ( -13.815 -6.955 4.284) 16.049 7.147 ( 5.888 -4.894 -4.078) 8.674 7.284 ( 3.551 2.461 4.793) 6.453 7.458 ( 0.979 3.102 -3.110) 4.500 7.856 ( 4.662 -3.543 10.554) 12.069 7.925 ( 2.547 -3.295 2.870) 5.058 7.989 ( 9.270 -0.240 4.937) 10.506 8.132 ( 2.840 5.630 5.476) 8.352 8.414 ( -7.434 -4.316 -13.648) 16.129 8.605 ( 1.317 -8.569 -3.458) 9.333 8.935 ( 2.225 1.854 1.893) 3.459 9.094 ( -5.299 -4.735 -2.475) 7.525 9.178 ( -9.340 1.743 3.680) 10.189 9.347 ( 11.446 9.960 -2.973) 15.461 9.677 ( 0.356 -1.100 -0.767) 1.388 9.761 ( -7.114 3.057 -3.258) 8.401 9.945 ( 2.288 -2.721 6.667) 7.555 10.226 ( 4.159 -1.699 -1.407) 4.708 10.393 ( -5.606 -9.905 0.371) 11.388 10.455 ( -3.705 -5.738 -0.181) 6.832 10.553 ( 18.487 -8.187 1.752) 20.295 10.661 ( -1.886 4.997 -1.281) 5.493 11.359 ( 13.877 -6.953 6.315) 16.756 11.561 ( -13.941 -9.775 -2.721) 17.242 11.977 ( 1.057 4.520 2.573) 5.308 12.100 ( 2.089 7.968 -1.137) 8.316 12.359 ( 6.544 2.250 5.417) 8.788 12.692 ( 7.284 3.005 -9.076) 12.019 13.136 ( -2.636 8.288 2.828) 9.146 13.317 ( -4.025 1.174 -3.292) 5.330 13.653 ( 0.989 2.544 2.245) 3.534 13.750 ( -6.572 1.380 0.091) 6.716 13.986 ( 6.462 0.710 0.416) 6.515 14.113 ( 3.283 -4.766 -2.368) 6.253 14.448 ( -3.376 2.096 -4.194) 5.777 14.554 ( 0.467 10.376 -7.374) 12.738 14.774 ( -5.655 -1.399 10.779) 12.253 15.170 ( 0.864 -5.332 -4.197) 6.840 15.580 ( -6.277 4.972 5.184) 9.539 15.684 ( 5.055 4.379 2.023) 6.988 16.540 ( 4.597 -5.450 8.006) 10.720 16.972 ( -16.964 -7.518 -9.192) 20.707 22.297 ( -3.218 4.632 4.166) 7.012 22.508 ( 2.615 7.046 -5.069) 9.065 23.090 ( -3.601 1.721 4.045) 5.682 23.465 ( 1.529 -2.614 -11.390) 11.786 23.974 ( -2.333 0.408 0.504) 2.422 23.999 ( 1.403 0.170 -0.537) 1.512 24.206 ( -3.093 -0.911 2.365) 3.999 24.273 ( -2.785 -0.996 -0.711) 3.042 24.539 ( 5.896 6.013 6.760) 10.799 24.861 ( -9.194 1.004 -6.424) 11.261 25.321 ( 4.537 0.289 1.872) 4.916 25.397 ( -0.850 -0.712 -0.662) 1.292 25.623 ( 3.969 -1.704 -1.445) 4.555 25.668 ( -1.531 -0.057 -2.361) 2.815 26.479 ( 7.761 -5.040 5.907) 10.978 26.566 ( -1.938 -2.873 0.936) 3.590 ======================= Grid point 166 (81/136) ======================= q-point: ( 0.09 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 12.676 7.909 22.438) 26.957 1.994 ( 9.653 4.534 20.599) 23.196 2.117 ( 15.971 6.200 -16.710) 23.931 2.598 ( 9.789 7.637 -21.607) 24.920 2.740 ( 16.399 9.487 27.355) 33.275 3.182 ( 16.945 -3.556 -8.545) 19.308 3.430 ( 15.407 -2.816 0.351) 15.666 3.620 ( 7.944 -7.378 8.752) 13.933 3.813 ( 0.593 -7.924 -1.861) 8.161 3.931 ( 6.957 3.358 -6.404) 10.034 4.113 ( -1.028 4.865 3.788) 6.251 4.261 ( 1.237 1.968 -4.908) 5.430 4.795 ( 0.272 3.268 2.887) 4.369 4.963 ( -2.708 0.170 -6.067) 6.646 5.349 ( -2.069 -2.684 -6.699) 7.508 5.411 ( 8.045 -3.266 4.829) 9.935 5.668 ( -9.015 0.364 -7.342) 11.632 5.704 ( -2.714 3.346 12.620) 13.335 5.993 ( 2.291 -5.529 -2.130) 6.352 6.327 ( 4.794 8.888 -6.761) 12.153 6.643 ( -18.851 -1.087 7.670) 20.380 7.044 ( -10.048 -9.958 -4.125) 14.736 7.397 ( 0.493 2.768 -1.140) 3.033 7.559 ( 11.021 1.237 0.906) 11.127 7.773 ( -12.836 -1.382 2.235) 13.102 7.938 ( -10.557 -6.543 -1.594) 12.522 8.117 ( 3.481 -1.891 -0.647) 4.014 8.232 ( 2.559 -2.153 -1.714) 3.758 8.387 ( 7.772 -1.433 7.905) 11.178 8.461 ( -2.056 0.454 -10.429) 10.639 8.823 ( -14.534 -0.700 1.959) 14.683 9.057 ( -8.747 2.876 -3.619) 9.893 9.116 ( 5.892 -0.589 3.146) 6.705 9.531 ( 1.811 3.402 -2.716) 4.715 9.577 ( 9.111 7.792 1.387) 12.069 9.925 ( 5.816 0.385 1.796) 6.099 9.978 ( 0.272 -1.503 1.092) 1.878 10.143 ( -10.193 -6.141 -0.645) 11.918 10.229 ( 3.445 -0.438 -5.997) 6.930 10.329 ( -3.930 -6.104 2.347) 7.630 10.798 ( 17.413 -3.003 -4.422) 18.215 10.999 ( 15.187 -10.166 4.674) 18.864 11.319 ( -5.524 -3.850 -3.105) 7.415 11.701 ( 11.148 -11.407 3.480) 16.325 11.872 ( -6.547 5.572 0.426) 8.608 12.206 ( 4.317 8.356 -1.721) 9.561 12.443 ( 2.840 -7.248 -1.812) 7.993 12.676 ( 3.962 1.082 -11.141) 11.874 13.145 ( -1.194 11.129 4.547) 12.081 13.219 ( -5.813 2.212 0.192) 6.223 13.645 ( -4.482 -0.190 -1.573) 4.754 13.740 ( 5.212 2.982 3.958) 7.191 14.005 ( -1.646 -0.085 -3.374) 3.755 14.211 ( 8.831 -2.118 -2.123) 9.327 14.351 ( -3.600 5.876 -3.152) 7.578 14.529 ( 3.422 8.384 -2.999) 9.539 14.783 ( -6.264 -1.608 11.639) 13.315 15.122 ( -2.114 -4.352 -3.460) 5.948 15.388 ( -17.210 8.198 4.424) 19.569 15.792 ( 3.116 -0.033 0.533) 3.162 16.548 ( -13.306 -4.835 1.185) 14.207 16.821 ( 4.973 -4.145 6.933) 9.486 22.286 ( -2.913 5.487 4.287) 7.548 22.507 ( 2.711 5.236 -4.261) 7.275 23.060 ( -6.500 -0.175 8.415) 10.634 23.344 ( -3.091 -2.754 -9.867) 10.701 23.967 ( 0.444 0.442 0.126) 0.639 24.048 ( 3.753 -0.515 -0.146) 3.791 24.178 ( -3.044 -0.673 3.002) 4.328 24.209 ( -2.909 0.196 1.494) 3.276 24.717 ( -0.206 2.787 -5.721) 6.367 24.812 ( 14.010 2.355 8.891) 16.759 25.341 ( -2.773 -0.198 -2.528) 3.758 25.418 ( 3.708 -0.279 0.260) 3.727 25.537 ( -2.148 1.067 -2.840) 3.717 25.791 ( 8.738 -0.482 -0.635) 8.774 26.492 ( -4.450 -2.092 -1.025) 5.023 26.643 ( 5.840 -6.356 -0.315) 8.638 ======================= Grid point 167 (82/136) ======================= q-point: ( 0.18 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 5.203 11.685 -20.232) 23.936 2.266 ( 6.951 3.803 21.174) 22.608 2.432 ( 4.968 6.327 21.470) 22.927 2.596 ( 12.652 6.132 -17.190) 22.208 3.265 ( 17.960 -5.104 8.466) 20.501 3.535 ( 26.634 1.986 -4.964) 27.165 3.701 ( 5.363 -2.460 -2.349) 6.350 3.819 ( 25.066 -3.015 0.873) 25.262 4.021 ( 9.667 -5.163 4.242) 11.752 4.101 ( 12.504 -2.114 9.093) 15.605 4.241 ( 17.524 0.524 -0.071) 17.532 4.313 ( 11.088 1.965 1.042) 11.309 4.780 ( -11.726 7.563 -8.091) 16.130 4.859 ( 7.845 2.824 0.660) 8.364 5.204 ( -3.052 8.527 -6.868) 11.366 5.456 ( 2.319 -6.112 -4.203) 7.772 5.690 ( 7.908 -7.482 3.937) 11.576 5.720 ( -8.201 -0.380 10.213) 13.104 6.053 ( 1.315 -1.136 -0.454) 1.796 6.271 ( -4.604 0.006 1.076) 4.728 6.525 ( -8.220 2.138 8.255) 11.844 6.788 ( -9.975 -5.934 -5.669) 12.918 7.241 ( -15.909 4.529 -3.579) 16.924 7.633 ( -0.720 3.992 2.013) 4.528 7.717 ( -2.096 -5.606 -7.428) 9.539 7.746 ( 0.081 -3.933 2.148) 4.482 8.101 ( -4.100 -2.343 -10.064) 11.117 8.178 ( -6.390 0.621 3.209) 7.177 8.305 ( -5.260 1.839 -0.819) 5.632 8.524 ( -3.511 -5.792 -3.205) 7.493 8.709 ( -0.632 2.211 4.717) 5.247 8.892 ( -2.806 4.757 -5.855) 8.049 9.093 ( -7.452 3.197 -4.275) 9.166 9.546 ( -2.121 3.928 0.178) 4.468 9.720 ( 5.905 -0.476 8.020) 9.971 9.935 ( 10.128 1.282 -4.887) 11.318 10.085 ( 6.273 -3.903 -4.614) 8.711 10.167 ( 4.788 -5.059 1.311) 7.088 10.314 ( 2.010 -2.651 1.415) 3.615 10.338 ( 10.084 -4.721 2.551) 11.422 11.032 ( 11.208 -10.947 -4.697) 16.356 11.083 ( -0.990 -6.714 4.943) 8.396 11.444 ( 10.468 4.441 3.967) 12.043 11.652 ( -3.563 2.465 -4.218) 6.047 11.883 ( -1.435 3.490 -4.834) 6.132 12.145 ( -6.693 -2.398 2.027) 7.393 12.522 ( 8.714 -5.133 -6.207) 11.866 12.625 ( 4.004 -6.072 -10.254) 12.571 13.107 ( -6.320 0.145 2.033) 6.640 13.210 ( -0.792 15.468 9.429) 18.133 13.530 ( -7.032 -3.427 -1.586) 7.982 13.894 ( 7.104 5.081 2.111) 8.985 13.933 ( -1.555 2.900 -3.696) 4.949 14.213 ( -0.558 7.379 -10.540) 12.879 14.317 ( -2.132 3.818 4.235) 6.088 14.623 ( 7.265 -0.597 0.747) 7.327 14.804 ( -3.622 0.190 11.094) 11.672 15.035 ( -4.818 -3.047 -0.573) 5.729 15.170 ( -11.099 5.870 2.160) 12.740 15.801 ( -0.348 -3.285 -2.199) 3.969 16.345 ( -10.195 0.685 -0.272) 10.222 16.968 ( -0.919 -8.054 9.769) 12.695 22.286 ( -2.291 5.893 4.601) 7.819 22.515 ( 2.970 3.427 -3.760) 5.891 23.036 ( -6.898 -2.037 9.172) 11.655 23.170 ( -6.403 -2.607 -8.050) 10.611 23.958 ( -1.753 0.273 -0.029) 1.774 24.029 ( -3.681 -0.743 -1.852) 4.187 24.231 ( 4.371 -1.228 2.535) 5.200 24.267 ( 6.406 -1.133 4.690) 8.020 24.680 ( 1.801 5.550 -4.346) 7.276 25.163 ( 12.095 -0.130 6.044) 13.522 25.254 ( -3.153 -2.011 0.772) 3.818 25.397 ( 0.345 -3.010 -4.735) 5.622 25.607 ( 8.549 6.145 1.329) 10.612 25.917 ( 5.940 0.788 0.887) 6.058 26.397 ( -3.624 -0.990 -2.852) 4.717 26.694 ( 2.790 -6.070 -3.573) 7.576 ======================= Grid point 168 (83/136) ======================= q-point: ( 0.27 0.17 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 5.081 12.306 -15.667) 20.560 2.522 ( -8.202 2.053 28.022) 29.270 2.677 ( 17.619 4.979 -17.857) 25.576 2.736 ( 8.979 8.642 17.965) 21.864 3.468 ( 2.681 -12.464 2.312) 12.957 3.718 ( -0.997 -4.270 8.983) 9.996 3.914 ( 16.517 2.942 -7.993) 18.583 4.007 ( 0.539 1.403 -4.597) 4.837 4.140 ( -0.771 -10.756 7.122) 12.923 4.393 ( -8.998 10.793 -4.891) 14.879 4.555 ( 27.478 3.682 -0.214) 27.724 4.655 ( 23.898 1.139 -0.194) 23.925 4.799 ( 27.696 -0.405 5.388) 28.218 5.135 ( 13.646 5.522 4.330) 15.344 5.230 ( 19.371 3.342 -2.432) 19.807 5.541 ( 7.745 -3.002 -0.098) 8.307 5.608 ( -7.408 -4.416 1.435) 8.743 5.812 ( -0.592 -5.571 5.583) 7.909 5.987 ( -5.685 4.559 -0.818) 7.333 6.240 ( -5.275 -18.585 -4.832) 19.914 6.416 ( -4.504 2.829 8.375) 9.921 6.686 ( -3.651 6.194 -2.496) 7.611 6.955 ( -10.063 8.380 0.304) 13.099 7.537 ( -9.753 -6.664 -4.608) 12.679 7.670 ( 1.994 0.222 -3.785) 4.284 7.797 ( 3.918 -1.709 -3.155) 5.312 7.898 ( -3.294 6.782 -4.319) 8.689 8.101 ( -8.002 -4.361 -3.342) 9.707 8.197 ( -8.839 4.191 12.326) 15.736 8.412 ( -2.542 -0.829 -6.638) 7.156 8.705 ( -1.922 -1.980 -2.399) 3.656 8.811 ( -5.598 3.561 -0.618) 6.663 8.932 ( -3.198 4.940 -5.886) 8.323 9.482 ( -0.819 3.573 -3.884) 5.340 9.963 ( 7.407 -8.006 7.027) 12.975 9.983 ( 2.896 -3.127 -7.753) 8.848 10.175 ( 7.881 -2.213 -5.353) 9.781 10.263 ( 4.257 -2.550 8.605) 9.933 10.378 ( 4.922 -1.744 0.625) 5.259 10.593 ( 12.646 -3.718 2.676) 13.450 11.016 ( -4.232 -14.193 -1.271) 14.865 11.175 ( 2.487 -6.425 -0.175) 6.892 11.530 ( -0.781 2.025 -3.643) 4.241 11.690 ( 4.144 8.007 3.347) 9.617 11.723 ( -0.510 10.919 -8.997) 14.157 12.086 ( -3.702 -7.404 0.362) 8.286 12.530 ( 2.882 -2.568 -6.727) 7.756 12.660 ( 5.484 -4.970 -3.676) 8.264 13.063 ( -1.307 1.488 2.727) 3.370 13.262 ( -7.164 13.295 6.339) 16.379 13.450 ( 1.508 -5.846 3.878) 7.176 13.862 ( -2.434 9.474 -2.084) 10.001 13.956 ( -2.334 3.403 -6.277) 7.512 14.127 ( 2.286 6.845 -2.482) 7.632 14.311 ( -4.200 1.877 7.171) 8.519 14.697 ( -2.237 -3.841 5.411) 7.002 14.893 ( 0.842 0.093 4.362) 4.443 14.997 ( 1.474 1.751 -0.511) 2.345 15.058 ( -2.488 0.631 2.489) 3.575 15.758 ( -0.808 -5.943 -3.634) 7.012 16.186 ( -8.524 3.790 0.019) 9.328 16.953 ( -8.475 -8.738 3.873) 12.774 22.299 ( -1.790 5.688 4.902) 7.720 22.534 ( 3.469 2.290 -3.409) 5.376 22.967 ( -6.662 -3.151 -4.561) 8.667 23.015 ( -7.176 -2.516 5.927) 9.641 23.922 ( -2.251 0.028 0.627) 2.337 23.957 ( -2.536 -0.500 -0.720) 2.683 24.345 ( 6.435 -2.113 0.839) 6.825 24.429 ( 5.712 -4.348 2.621) 7.642 24.704 ( 3.635 8.824 1.805) 9.713 25.072 ( -7.138 1.501 -6.414) 9.713 25.334 ( 3.409 -1.383 -7.029) 7.934 25.501 ( 7.328 -7.374 5.988) 11.997 25.812 ( 9.861 7.807 6.726) 14.263 26.015 ( 3.791 1.645 2.339) 4.748 26.333 ( -0.653 -0.897 -1.816) 2.128 26.685 ( 1.904 -5.051 -5.439) 7.663 ======================= Grid point 169 (84/136) ======================= q-point: ( 0.36 0.17 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 12.257 10.910 0.055) 16.410 2.564 ( -18.391 2.849 27.866) 33.509 2.843 ( 22.225 0.986 -18.057) 28.653 3.028 ( 5.617 7.810 10.691) 14.382 3.508 ( -0.851 -11.325 6.527) 13.099 3.764 ( -4.100 -4.118 3.565) 6.817 3.841 ( -8.168 -2.638 -4.009) 9.473 4.053 ( -7.019 10.892 5.645) 14.134 4.110 ( 6.686 1.294 -0.424) 6.823 4.379 ( 8.067 -3.186 2.031) 8.908 4.880 ( 5.523 1.391 -3.720) 6.802 5.016 ( 7.193 3.320 3.096) 8.506 5.085 ( 20.037 3.316 -1.419) 20.359 5.409 ( -3.650 -8.054 5.840) 10.597 5.555 ( 10.789 -4.334 1.389) 11.710 5.599 ( 10.849 0.006 5.056) 11.969 5.766 ( -1.975 0.267 -7.937) 8.183 5.906 ( 25.598 0.790 -1.410) 25.649 5.940 ( 4.810 0.492 9.436) 10.603 6.071 ( 0.674 -7.540 -6.624) 10.059 6.524 ( -6.107 4.891 8.172) 11.314 6.565 ( 7.000 -0.603 -6.423) 9.519 6.898 ( -2.479 8.474 1.323) 8.928 7.276 ( -11.622 -3.361 -8.170) 14.598 7.640 ( 2.653 4.145 -3.943) 6.306 7.854 ( 1.978 -0.091 -2.972) 3.571 7.880 ( -0.481 -3.903 0.969) 4.050 7.979 ( 0.197 2.743 -0.403) 2.780 8.167 ( -7.981 -1.193 8.296) 11.573 8.340 ( -3.411 5.604 3.363) 7.372 8.607 ( -14.002 1.420 -0.103) 14.075 8.653 ( -3.455 -0.609 -0.485) 3.542 8.879 ( 3.675 3.487 -7.682) 9.202 9.468 ( 4.506 0.312 -5.667) 7.247 9.846 ( -1.715 -3.384 -16.880) 17.301 10.078 ( -0.719 -12.562 5.450) 13.712 10.251 ( 3.695 3.147 -5.315) 7.197 10.422 ( 3.279 1.915 4.716) 6.054 10.480 ( 2.698 1.275 6.037) 6.734 10.755 ( 2.478 -8.336 3.983) 9.565 10.971 ( 5.047 -15.008 -4.750) 16.531 11.142 ( 1.924 -6.182 -8.121) 10.387 11.449 ( -7.800 -0.864 2.801) 8.333 11.571 ( -2.619 5.507 -7.220) 9.450 11.879 ( 2.011 -3.667 1.084) 4.320 12.050 ( 5.063 8.769 2.606) 10.456 12.524 ( 3.760 -6.382 -8.936) 11.607 12.679 ( -1.288 12.472 -0.361) 12.543 13.097 ( -0.911 1.985 4.465) 4.971 13.170 ( -2.763 0.771 1.239) 3.125 13.565 ( 2.045 0.618 2.107) 3.001 13.753 ( -7.627 6.616 -9.269) 13.706 13.877 ( 3.110 4.305 7.982) 9.588 14.190 ( 1.969 2.762 3.685) 5.009 14.341 ( -2.356 0.576 10.335) 10.616 14.690 ( -3.674 -4.338 3.876) 6.880 14.889 ( -1.443 0.643 -1.013) 1.877 14.957 ( -2.517 5.220 -0.440) 5.812 15.206 ( 9.501 -2.941 4.269) 10.823 15.709 ( -0.668 -6.709 -3.619) 7.652 16.054 ( -7.042 5.019 0.510) 8.663 16.787 ( -10.123 -7.771 -3.366) 13.198 22.320 ( -1.766 4.946 5.012) 7.259 22.563 ( 3.546 1.919 -3.434) 5.296 22.831 ( -2.445 -2.703 -4.235) 5.587 22.955 ( -7.564 -3.600 5.997) 10.302 23.904 ( -1.016 -0.042 1.665) 1.951 23.933 ( -0.546 -0.505 1.133) 1.355 24.424 ( 3.374 -2.561 -4.555) 6.220 24.512 ( 3.342 -3.458 2.421) 5.384 24.825 ( 0.436 5.288 4.690) 7.082 24.884 ( -3.101 3.320 -5.029) 6.777 25.321 ( 3.526 -0.554 -6.738) 7.625 25.618 ( 3.573 -4.732 -0.475) 5.948 26.015 ( 4.971 5.624 6.344) 9.828 26.092 ( 1.779 2.182 3.087) 4.178 26.343 ( 0.744 -1.852 2.802) 3.440 26.665 ( 3.042 -4.071 -6.226) 8.037 ======================= Grid point 170 (85/136) ======================= q-point: ( 0.45 0.17 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 13.172 5.457 11.708) 18.448 2.481 ( -17.881 5.618 20.681) 27.910 3.061 ( 20.088 -3.895 -11.223) 23.338 3.099 ( -5.153 8.311 4.139) 10.619 3.513 ( -15.333 4.048 -0.586) 15.869 3.647 ( 0.807 -9.718 7.101) 12.063 3.698 ( -3.103 -2.683 -2.051) 4.587 4.131 ( 4.726 6.212 8.011) 11.185 4.281 ( 10.068 -1.327 4.674) 11.179 4.562 ( 5.757 -2.071 4.213) 7.429 4.855 ( 1.220 -5.617 -4.097) 7.059 5.006 ( -2.403 5.623 -0.906) 6.182 5.220 ( -14.897 1.920 -11.371) 18.839 5.425 ( 8.899 -6.773 7.227) 13.315 5.564 ( -4.255 -6.474 4.385) 8.902 5.703 ( 2.559 0.892 -1.947) 3.337 5.753 ( 3.336 -1.106 6.332) 7.242 6.089 ( 3.184 9.511 2.430) 10.320 6.156 ( 8.260 -7.092 -0.123) 10.887 6.390 ( 5.682 3.611 -1.906) 6.997 6.467 ( 14.855 -1.060 -4.826) 15.655 6.670 ( 0.083 1.289 2.828) 3.109 6.839 ( -6.375 1.588 1.061) 6.654 7.082 ( 3.259 7.963 -9.847) 13.076 7.670 ( 1.393 2.748 0.645) 3.148 7.788 ( -3.615 -5.994 -0.948) 7.063 7.899 ( -0.311 -0.376 -0.813) 0.948 7.994 ( 0.860 2.664 -3.563) 4.531 8.134 ( -2.799 -0.835 7.677) 8.214 8.329 ( -13.312 0.287 10.580) 17.007 8.398 ( 0.886 5.129 -0.357) 5.217 8.653 ( 1.997 -0.231 0.638) 2.109 8.896 ( 6.263 3.444 -4.970) 8.706 9.446 ( -2.066 -6.819 -11.384) 13.431 9.679 ( 6.543 2.963 -15.404) 16.996 10.080 ( -2.904 -7.133 -5.013) 9.190 10.190 ( -2.300 3.441 1.180) 4.304 10.417 ( -3.833 9.167 -1.925) 10.121 10.559 ( -2.207 -1.123 9.047) 9.379 10.844 ( 1.041 -15.325 5.470) 16.305 11.016 ( 5.029 -10.558 -7.297) 13.785 11.172 ( 9.741 -8.683 -8.525) 15.587 11.345 ( -4.178 -5.525 2.640) 7.413 11.453 ( -6.101 0.473 -2.814) 6.735 11.845 ( -2.979 -11.291 3.605) 12.221 12.234 ( 4.755 19.712 1.100) 20.307 12.466 ( 4.121 -8.739 -8.204) 12.675 12.626 ( -2.854 22.724 -2.839) 23.078 13.103 ( -3.863 2.653 6.986) 8.413 13.185 ( 0.020 2.245 -0.149) 2.250 13.541 ( -2.105 1.043 -2.228) 3.238 13.580 ( -2.310 3.088 -4.706) 6.085 14.119 ( 9.028 -1.234 13.499) 16.286 14.252 ( -0.396 0.729 6.027) 6.084 14.432 ( 0.050 0.279 11.247) 11.250 14.654 ( -2.926 -3.968 0.570) 4.963 14.829 ( -1.672 3.333 -5.433) 6.590 14.926 ( -1.113 3.345 0.156) 3.529 15.403 ( 8.190 -3.083 3.700) 9.501 15.664 ( -0.678 -5.165 -3.358) 6.198 15.966 ( -4.925 4.075 3.482) 7.279 16.577 ( -6.626 -6.394 -8.478) 12.516 22.337 ( -2.116 3.932 5.030) 6.726 22.569 ( 1.689 2.023 -4.346) 5.083 22.826 ( 3.825 -3.240 -0.134) 5.014 22.877 ( -6.171 -3.190 2.859) 7.512 23.924 ( 0.671 -0.057 2.820) 2.899 23.952 ( 0.527 -0.545 2.097) 2.230 24.399 ( 0.086 -0.577 -4.149) 4.190 24.535 ( -3.827 -3.642 -3.557) 6.369 24.738 ( 0.487 3.767 0.432) 3.822 24.950 ( 1.843 0.171 0.285) 1.873 25.337 ( 3.365 1.546 -0.923) 3.816 25.628 ( 0.371 -2.054 -3.961) 4.477 26.106 ( 0.166 3.240 3.161) 4.530 26.132 ( 0.099 3.325 2.455) 4.134 26.382 ( -2.048 -2.102 5.768) 6.472 26.673 ( 5.103 -4.030 -6.036) 8.872 ======================= Grid point 171 (86/136) ======================= q-point: (-0.45 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( -22.810 3.042 15.574) 27.787 2.618 ( 5.305 6.272 8.046) 11.499 2.902 ( -14.105 8.845 3.970) 17.115 3.306 ( 12.042 -2.808 -5.822) 13.667 3.379 ( 3.066 -2.943 4.534) 6.214 3.551 ( -1.166 -2.965 -3.814) 4.970 3.879 ( 5.886 -3.495 11.434) 13.327 4.254 ( 2.065 -3.560 -1.988) 4.570 4.487 ( 9.281 6.149 5.529) 12.431 4.546 ( -8.459 0.954 -0.318) 8.519 4.714 ( -16.050 3.973 -15.444) 22.626 4.964 ( 8.974 -10.082 -2.238) 13.682 5.114 ( 2.406 4.154 16.042) 16.745 5.441 ( -9.776 -5.513 0.592) 11.239 5.628 ( -3.321 -1.261 -4.875) 6.032 5.658 ( 5.557 -3.389 0.012) 6.508 5.884 ( 1.780 -2.961 5.982) 6.908 6.083 ( -2.054 0.097 -7.617) 7.890 6.200 ( -12.465 4.568 8.640) 15.839 6.265 ( -9.320 4.547 1.523) 10.481 6.479 ( -10.149 -2.833 -1.283) 10.615 6.691 ( 2.787 -2.537 -3.259) 4.982 6.778 ( -2.359 9.162 0.347) 9.467 7.146 ( 10.010 6.947 -6.016) 13.589 7.658 ( -3.374 0.495 1.544) 3.743 7.708 ( -2.624 -0.041 -3.349) 4.255 7.919 ( 2.362 -2.920 0.059) 3.757 7.965 ( 1.318 3.293 -1.988) 4.066 8.224 ( -1.528 -3.695 10.407) 11.149 8.288 ( 5.586 0.814 2.881) 6.338 8.481 ( 4.893 -1.628 0.476) 5.178 8.726 ( 5.743 2.888 0.613) 6.457 8.992 ( 7.966 1.242 -1.348) 8.174 9.215 ( -3.515 -1.349 -17.609) 18.007 9.721 ( 2.399 -1.529 -3.069) 4.185 9.918 ( 1.623 4.524 -12.886) 13.753 10.250 ( 1.328 4.053 3.829) 5.732 10.319 ( -2.005 7.340 -1.930) 7.850 10.597 ( -5.488 -4.549 12.156) 14.091 10.818 ( -7.778 -13.172 3.025) 15.593 11.001 ( -0.382 -2.694 -5.964) 6.556 11.208 ( 6.367 -15.020 -10.556) 19.431 11.324 ( -6.044 -3.733 3.307) 7.836 11.433 ( 8.981 -10.827 -1.192) 14.117 11.869 ( -2.564 -8.179 8.722) 12.229 12.151 ( -4.687 -0.628 -7.448) 8.823 12.518 ( -3.905 23.716 -7.098) 25.061 12.583 ( 8.873 11.534 0.261) 14.555 13.084 ( -4.805 3.988 5.688) 8.446 13.172 ( -1.722 3.753 2.291) 4.722 13.499 ( -1.251 -0.850 -0.843) 1.732 13.568 ( 3.883 2.529 -2.773) 5.401 14.280 ( -3.909 -1.370 6.779) 7.945 14.388 ( 6.426 -3.486 10.171) 12.526 14.543 ( 1.370 -0.613 6.145) 6.325 14.615 ( -1.917 -0.839 -0.466) 2.144 14.757 ( 1.090 3.460 -2.927) 4.661 14.912 ( 0.635 1.659 -2.674) 3.210 15.532 ( 4.054 -2.366 0.195) 4.698 15.600 ( -1.999 -1.794 -5.892) 6.475 16.000 ( 0.495 0.601 12.889) 12.913 16.413 ( -0.977 -4.821 -10.591) 11.677 22.348 ( -2.562 2.944 5.084) 6.409 22.552 ( 1.746 2.914 -4.059) 5.294 22.776 ( -6.292 -3.142 1.510) 7.193 22.963 ( 9.883 -3.087 0.064) 10.355 23.973 ( 1.274 -0.398 2.431) 2.773 23.982 ( 0.640 -0.547 1.314) 1.561 24.370 ( -0.993 -0.040 -0.502) 1.113 24.386 ( -5.453 0.128 -3.701) 6.592 24.819 ( 4.116 -0.051 3.419) 5.351 24.916 ( -1.717 -1.342 -5.651) 6.057 25.407 ( 1.982 2.085 4.350) 5.215 25.554 ( -2.784 0.470 -6.717) 7.286 26.091 ( -4.106 2.947 2.251) 5.533 26.149 ( -1.814 2.799 2.431) 4.127 26.385 ( -3.238 -1.855 5.052) 6.281 26.710 ( 5.637 -5.273 -5.933) 9.736 ======================= Grid point 172 (87/136) ======================= q-point: (-0.36 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( -25.113 6.675 9.432) 27.644 2.339 ( -27.568 10.763 1.923) 29.657 3.050 ( 9.129 -4.578 4.342) 11.098 3.284 ( -1.777 -0.384 -1.016) 2.082 3.579 ( 5.653 -2.512 2.967) 6.861 3.659 ( 9.701 -2.195 8.256) 12.927 3.987 ( -1.584 1.260 -6.338) 6.653 4.143 ( -11.372 -1.591 -4.127) 12.202 4.318 ( -8.611 0.156 4.247) 9.602 4.390 ( -5.392 5.722 -11.723) 14.116 4.779 ( 10.360 2.759 10.584) 15.066 4.993 ( -8.700 -7.702 -2.859) 11.966 5.251 ( -13.434 -1.123 4.194) 14.118 5.292 ( -2.263 3.359 0.272) 4.060 5.468 ( -3.980 -6.115 0.701) 7.329 5.670 ( -10.282 1.402 -1.874) 10.545 5.792 ( -19.354 2.318 3.519) 19.808 5.870 ( -14.586 5.077 3.563) 15.850 5.948 ( -2.313 -6.020 -6.344) 9.046 6.185 ( -7.054 -2.088 0.665) 7.387 6.423 ( 6.699 -2.999 -3.536) 8.147 6.720 ( 2.015 1.299 6.151) 6.601 6.786 ( 3.663 4.266 2.510) 6.158 7.238 ( 8.881 5.107 -8.138) 13.084 7.601 ( -4.886 3.795 -4.032) 7.385 7.666 ( 2.410 3.392 0.198) 4.166 7.959 ( 3.257 -2.962 -0.647) 4.450 8.001 ( 4.519 1.324 -3.576) 5.913 8.277 ( -3.421 -11.681 8.930) 15.096 8.413 ( 3.375 0.247 0.004) 3.384 8.577 ( 2.748 1.787 4.219) 5.343 8.849 ( 9.829 3.860 -3.881) 11.250 9.022 ( 1.757 3.240 -14.953) 15.400 9.149 ( 7.556 -1.777 4.737) 9.094 9.613 ( -0.916 3.106 -11.268) 11.724 9.970 ( 4.399 2.933 2.232) 5.739 10.184 ( -3.227 5.880 -2.471) 7.148 10.427 ( 6.588 5.962 4.384) 9.908 10.620 ( -5.133 -10.399 8.909) 14.624 10.713 ( -7.302 -9.408 4.099) 12.595 10.875 ( -7.200 0.351 -2.228) 7.545 11.207 ( 7.085 -12.966 -12.810) 19.555 11.276 ( -5.804 -3.247 6.356) 9.199 11.548 ( 4.142 -10.658 -4.347) 12.233 11.856 ( -5.924 -5.095 2.383) 8.169 12.073 ( -0.258 -9.430 3.491) 10.059 12.373 ( -2.505 18.400 -8.339) 20.356 12.678 ( -0.007 12.785 1.173) 12.839 13.117 ( 4.264 6.002 2.710) 7.845 13.175 ( -0.165 3.695 2.205) 4.306 13.477 ( -1.137 -0.235 0.787) 1.402 13.622 ( 4.270 3.585 -0.988) 5.663 14.222 ( -7.366 -2.120 1.032) 7.734 14.466 ( -3.014 0.842 -3.514) 4.705 14.580 ( 0.577 -0.314 2.920) 2.993 14.632 ( 1.929 -2.195 6.412) 7.046 14.861 ( 5.852 0.013 4.718) 7.518 14.887 ( 3.074 0.331 -7.221) 7.855 15.479 ( -2.658 0.457 -9.206) 9.593 15.561 ( 0.140 -0.718 0.246) 0.772 16.217 ( 5.044 -4.153 14.185) 15.617 16.354 ( 5.717 -1.682 -4.084) 7.225 22.350 ( -3.079 2.151 4.904) 6.177 22.553 ( 2.809 5.803 -3.661) 7.414 22.696 ( -4.081 -2.717 1.176) 5.042 23.152 ( 12.266 -3.944 -1.198) 12.940 23.985 ( -0.085 -0.692 -0.925) 1.159 24.001 ( 0.196 -0.590 -0.424) 0.752 24.271 ( -4.297 0.735 0.101) 4.361 24.412 ( 1.056 -1.506 6.022) 6.297 24.807 ( -3.184 1.033 -5.536) 6.469 24.922 ( 3.375 -0.844 3.359) 4.836 25.398 ( -5.951 3.021 -9.297) 11.444 25.470 ( -0.298 1.127 4.734) 4.875 26.031 ( -5.105 3.566 2.344) 6.654 26.106 ( -6.348 1.663 3.008) 7.219 26.397 ( -0.341 -2.331 3.902) 4.558 26.723 ( 3.253 -7.410 -7.840) 11.267 ======================= Grid point 173 (88/136) ======================= q-point: (-0.27 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -24.160 11.520 4.497) 27.141 1.912 ( -26.614 12.996 8.089) 30.703 3.027 ( -15.775 1.766 3.258) 16.204 3.319 ( 1.252 -10.595 3.270) 11.159 3.583 ( -11.198 5.688 -5.920) 13.885 3.785 ( -4.423 0.060 3.469) 5.622 3.819 ( -6.337 -6.375 -7.456) 11.678 3.920 ( -4.054 -0.005 2.535) 4.782 4.175 ( -8.232 6.930 0.994) 10.806 4.412 ( 6.830 2.842 -0.519) 7.416 4.572 ( -35.320 -7.570 -3.278) 36.271 4.828 ( -17.214 3.205 -6.351) 18.626 4.978 ( -4.042 -3.137 5.574) 7.567 5.195 ( -13.429 6.688 1.224) 15.052 5.283 ( -21.170 -2.355 -4.163) 21.704 5.474 ( -15.980 5.734 4.668) 17.608 5.611 ( 10.803 -0.171 2.916) 11.191 5.834 ( 6.781 -5.415 -2.766) 9.108 5.990 ( 5.953 0.240 2.218) 6.358 6.139 ( 0.660 -7.606 0.733) 7.670 6.488 ( 7.018 -9.910 -5.752) 13.437 6.871 ( 7.337 12.558 3.620) 14.988 6.973 ( 13.333 -1.741 2.851) 13.745 7.317 ( 6.672 6.352 -2.442) 9.531 7.499 ( -0.023 -1.496 -4.781) 5.010 7.697 ( 0.509 2.536 -0.342) 2.609 7.958 ( -1.267 -1.063 -5.513) 5.756 8.037 ( 2.524 -1.347 -1.480) 3.221 8.338 ( 2.959 -12.110 6.497) 14.058 8.395 ( -1.496 3.020 -2.231) 4.042 8.647 ( -0.720 3.825 8.021) 8.915 8.898 ( 5.070 3.788 -11.883) 13.464 8.990 ( 5.909 4.272 -6.501) 9.769 9.357 ( 5.449 -4.706 10.241) 12.518 9.550 ( 5.936 6.201 -7.665) 11.508 9.971 ( -7.966 7.086 5.460) 11.978 10.165 ( 1.912 -1.329 -2.933) 3.745 10.500 ( -5.460 -5.463 -3.067) 8.310 10.546 ( -5.033 4.854 1.564) 7.165 10.661 ( -4.465 -14.124 1.699) 14.910 10.839 ( 0.618 -6.990 8.959) 11.380 11.172 ( -3.279 3.808 2.955) 5.830 11.246 ( -2.183 -5.337 -9.387) 11.017 11.459 ( -3.125 -3.411 -0.489) 4.651 11.806 ( -3.814 -5.117 1.528) 6.562 12.125 ( -0.729 -8.064 6.066) 10.118 12.328 ( 6.417 7.203 -6.509) 11.638 12.590 ( -9.558 6.469 -1.130) 11.596 13.201 ( 2.519 1.713 -1.079) 3.232 13.265 ( 8.105 6.552 2.385) 10.692 13.489 ( 0.376 3.021 3.054) 4.312 13.698 ( 4.616 5.716 1.745) 7.551 14.070 ( -7.391 -1.004 -4.505) 8.713 14.338 ( -5.030 1.499 -5.824) 7.840 14.639 ( -0.138 -0.062 6.215) 6.217 14.700 ( -0.889 -2.896 4.200) 5.178 14.823 ( 2.129 0.004 -11.528) 11.723 15.030 ( 6.547 -2.241 4.001) 7.993 15.352 ( 0.154 1.412 -10.579) 10.674 15.570 ( -0.382 1.526 2.860) 3.264 16.290 ( 4.315 -2.600 -4.868) 7.006 16.660 ( 13.941 -5.463 19.357) 24.473 22.340 ( -3.481 2.052 4.410) 5.982 22.557 ( 2.161 8.723 -5.257) 10.411 22.696 ( 1.622 -1.666 5.141) 5.642 23.339 ( 12.552 -4.288 -4.603) 14.040 23.972 ( 0.204 -0.722 -1.317) 1.515 23.985 ( -0.175 -0.381 -1.481) 1.539 24.224 ( -3.482 0.161 2.829) 4.489 24.473 ( -2.289 -6.296 3.688) 7.648 24.751 ( 0.134 6.500 3.003) 7.161 25.002 ( 2.648 -0.546 2.192) 3.481 25.176 ( -7.937 5.157 -9.968) 13.746 25.489 ( -2.097 -0.126 3.117) 3.759 25.974 ( -4.486 3.866 2.699) 6.508 26.008 ( -8.082 0.865 2.900) 8.630 26.446 ( 1.416 -3.799 3.104) 5.106 26.636 ( -2.531 -9.450 -12.081) 15.546 ======================= Grid point 174 (89/136) ======================= q-point: (-0.18 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -20.655 16.067 5.878) 26.820 1.626 ( -21.584 17.975 17.674) 33.186 2.631 ( -40.009 14.133 18.297) 46.208 3.200 ( -12.554 1.866 -14.160) 19.015 3.346 ( -5.637 -17.234 2.484) 18.302 3.467 ( -20.407 1.706 -11.758) 23.613 3.674 ( -26.089 -2.929 3.193) 26.446 3.816 ( -17.730 -9.151 -0.288) 19.954 3.989 ( -2.374 -2.598 2.625) 4.391 4.193 ( -4.082 2.152 4.499) 6.444 4.475 ( -3.399 7.440 -3.669) 8.964 4.551 ( -6.919 6.322 -5.147) 10.692 4.748 ( -16.664 -0.560 -1.700) 16.760 4.929 ( -5.537 1.032 -6.351) 8.489 5.114 ( -1.435 2.145 0.307) 2.599 5.337 ( -4.718 6.981 2.385) 8.757 5.856 ( 4.953 -5.072 0.539) 7.110 5.962 ( 13.838 -5.799 -2.554) 15.220 6.091 ( 4.079 -2.602 -0.854) 4.913 6.184 ( 2.325 -9.580 2.007) 10.061 6.614 ( 11.931 -6.863 0.304) 13.767 6.962 ( 3.179 10.198 -3.782) 11.332 7.257 ( 17.439 2.252 -1.868) 17.682 7.372 ( 0.573 5.248 3.852) 6.535 7.544 ( 4.985 -5.260 -0.938) 7.307 7.670 ( -1.863 -0.353 0.697) 2.020 7.875 ( -0.271 5.110 -4.203) 6.622 8.076 ( 2.311 -3.032 2.338) 4.472 8.369 ( -1.066 3.208 2.815) 4.399 8.497 ( 8.434 -9.110 2.416) 12.647 8.756 ( 5.491 -0.108 8.204) 9.873 8.885 ( 8.948 7.349 -12.964) 17.382 8.999 ( 0.511 1.587 -0.886) 1.887 9.476 ( 1.833 -3.276 6.196) 7.245 9.660 ( 4.951 1.204 1.703) 5.372 9.885 ( -6.423 3.800 4.559) 8.745 10.094 ( -6.092 -0.236 -6.881) 9.194 10.304 ( -12.134 3.135 1.075) 12.579 10.433 ( -2.554 -3.949 -8.354) 9.587 10.549 ( -9.048 -12.766 -5.133) 16.468 10.848 ( -12.409 -5.071 -0.286) 13.408 11.003 ( -10.410 -6.584 4.331) 13.057 11.270 ( 0.865 7.027 12.857) 14.678 11.536 ( 8.179 4.959 -0.030) 9.565 11.753 ( -0.476 -6.864 -0.627) 6.909 12.150 ( -3.016 -5.121 4.691) 7.571 12.377 ( -11.832 4.027 0.910) 12.531 12.434 ( 11.725 4.511 -7.460) 14.611 13.218 ( 0.463 -0.162 -1.163) 1.262 13.390 ( 1.401 -0.646 4.034) 4.319 13.551 ( 5.937 8.095 -1.327) 10.126 13.809 ( 3.311 7.962 3.861) 9.448 13.921 ( -3.532 0.623 -3.399) 4.941 14.188 ( -5.025 -0.316 -6.459) 8.190 14.649 ( -4.715 -3.650 1.835) 6.239 14.721 ( -0.235 0.071 3.203) 3.212 14.733 ( 0.849 3.476 -9.859) 10.488 15.150 ( 3.342 -5.547 1.663) 6.687 15.310 ( 6.709 3.061 -6.930) 10.120 15.612 ( 0.845 3.677 4.339) 5.750 16.331 ( 4.561 -1.163 -1.965) 5.101 17.091 ( 14.845 -13.031 11.992) 23.109 22.324 ( -3.380 2.785 4.287) 6.128 22.533 ( 1.862 7.986 -5.517) 9.883 22.849 ( 8.146 2.293 6.907) 10.924 23.471 ( 10.398 -3.699 -8.838) 14.140 23.967 ( 0.517 -0.285 0.150) 0.609 23.991 ( 1.754 -0.381 -0.636) 1.904 24.199 ( -2.946 -1.256 3.565) 4.792 24.409 ( -4.901 -5.264 -1.122) 7.279 24.767 ( -6.951 7.622 -3.008) 10.745 25.008 ( 3.799 4.850 -0.559) 6.186 25.095 ( 1.114 -0.436 6.374) 6.485 25.460 ( -3.559 -2.241 0.572) 4.244 25.889 ( -8.020 0.147 0.058) 8.021 25.917 ( -6.002 2.451 0.089) 6.484 26.363 ( -8.876 -8.883 -10.860) 16.602 26.530 ( 0.744 -3.506 2.917) 4.622 ======================= Grid point 175 (90/136) ======================= q-point: (-0.09 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -14.523 16.680 17.848) 28.420 1.535 ( -13.536 20.102 24.415) 34.401 2.238 ( -28.876 16.992 30.504) 45.310 2.783 ( -31.710 0.158 -12.701) 34.160 2.891 ( -8.476 3.380 -14.777) 17.367 3.228 ( -17.022 0.499 2.443) 17.204 3.358 ( -1.859 -20.032 -1.693) 20.190 3.610 ( -15.164 -7.974 4.694) 17.764 3.974 ( -2.716 -4.773 -0.564) 5.521 4.112 ( -3.912 9.428 -7.706) 12.790 4.231 ( -6.063 -0.380 -7.385) 9.562 4.470 ( -7.353 0.939 -4.604) 8.726 4.659 ( 3.133 8.420 6.670) 11.190 4.919 ( 6.728 0.954 -2.660) 7.298 5.126 ( 1.144 2.123 3.108) 3.934 5.328 ( 1.777 5.074 0.907) 5.452 5.769 ( -6.577 -9.107 -9.183) 14.509 6.073 ( 0.475 -2.613 -2.626) 3.735 6.146 ( 0.697 -4.225 -3.376) 5.453 6.248 ( 6.175 -1.588 -2.805) 6.966 6.867 ( 10.827 -8.170 5.432) 14.611 6.995 ( 8.327 4.641 -3.801) 10.263 7.326 ( -2.584 1.602 -2.658) 4.038 7.515 ( -0.687 -4.003 1.574) 4.356 7.594 ( 7.002 3.197 7.295) 10.605 7.765 ( 8.354 3.856 4.401) 10.199 7.868 ( 3.734 1.289 -1.826) 4.351 8.111 ( -2.182 2.294 3.968) 5.076 8.471 ( 7.359 -3.880 5.225) 9.824 8.579 ( 2.128 -7.567 -7.226) 10.677 8.934 ( 3.238 2.487 -3.161) 5.164 8.986 ( 11.796 -1.144 1.847) 11.995 9.090 ( 11.172 3.034 1.645) 11.693 9.516 ( -12.026 -7.824 3.720) 14.822 9.675 ( 0.016 3.023 -2.274) 3.782 9.858 ( -1.474 -2.170 4.697) 5.380 9.905 ( 1.516 2.761 -2.782) 4.203 10.151 ( -10.304 -0.760 -4.115) 11.121 10.285 ( -3.107 -3.916 2.631) 5.649 10.408 ( 3.581 -3.851 -4.187) 6.722 10.625 ( -10.771 -2.819 -1.249) 11.204 10.888 ( -15.882 -2.088 9.821) 18.790 11.256 ( -5.631 -0.139 1.510) 5.831 11.749 ( -2.994 -9.701 4.271) 11.015 11.772 ( 13.066 6.230 -0.573) 14.486 12.158 ( -4.347 -2.147 8.376) 9.678 12.222 ( -1.435 9.985 -1.330) 10.175 12.589 ( 12.639 4.444 -6.264) 14.790 13.184 ( -3.443 2.100 -0.075) 4.033 13.398 ( -3.245 -1.687 1.311) 3.885 13.623 ( 4.216 7.044 -3.397) 8.884 13.830 ( -1.086 2.797 1.606) 3.403 13.908 ( -1.847 3.710 2.614) 4.899 14.091 ( 2.537 -3.341 -5.263) 6.730 14.554 ( -4.804 -1.447 -2.810) 5.750 14.637 ( 1.268 7.050 -11.323) 13.399 14.757 ( -4.231 -0.118 9.646) 10.533 15.180 ( 2.140 -6.186 -3.174) 7.275 15.442 ( 10.342 2.715 1.211) 10.761 15.664 ( -0.627 5.678 4.165) 7.070 16.409 ( 4.521 -2.072 2.271) 5.467 17.261 ( -2.029 -16.548 -5.359) 17.512 22.311 ( -3.239 3.699 4.255) 6.502 22.516 ( 2.577 7.782 -5.424) 9.830 23.044 ( 6.263 2.879 2.982) 7.510 23.513 ( 6.324 -2.827 -11.308) 13.261 23.993 ( 0.419 -0.076 1.487) 1.546 24.002 ( 0.015 0.191 -0.922) 0.942 24.216 ( 0.610 -3.300 2.825) 4.386 24.312 ( -3.495 -2.984 -2.291) 5.135 24.550 ( -8.598 10.093 -3.348) 13.675 25.077 ( -4.428 1.269 0.910) 4.695 25.228 ( 5.459 -0.242 4.176) 6.877 25.377 ( -2.933 -6.155 -0.448) 6.833 25.652 ( -7.925 1.387 -8.887) 11.988 25.787 ( -7.497 0.062 0.167) 7.499 26.289 ( 2.912 -2.227 7.485) 8.335 26.569 ( -0.313 -3.522 2.803) 4.513 ======================= Grid point 176 (91/136) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 7.379 16.325 16.251) 24.188 1.918 ( -6.102 5.594 14.633) 16.812 2.282 ( -2.798 5.640 -1.322) 6.433 2.600 ( -5.067 3.230 12.409) 13.787 2.844 ( 7.787 8.061 -7.178) 13.310 3.044 ( -0.282 2.722 -8.437) 8.869 3.156 ( -0.501 -4.261 9.574) 10.492 3.384 ( -5.798 0.551 5.864) 8.265 3.697 ( -1.348 -9.243 -5.229) 10.705 4.036 ( -3.655 -5.276 -0.574) 6.444 4.227 ( 1.524 8.053 -8.227) 11.613 4.375 ( -2.764 1.522 -4.775) 5.723 4.876 ( 1.314 7.142 1.474) 7.409 4.975 ( 4.131 0.762 -2.693) 4.990 5.266 ( -3.191 -3.251 -5.176) 6.895 5.381 ( -4.286 -8.301 -8.385) 12.554 5.461 ( 8.231 3.499 8.624) 12.425 5.837 ( -2.459 -11.631 -3.358) 12.353 6.137 ( -7.115 10.417 6.993) 14.424 6.385 ( 7.740 1.498 -0.011) 7.884 6.822 ( -6.759 -0.844 -0.740) 6.851 7.049 ( -3.886 -5.041 -8.529) 10.642 7.282 ( 1.175 -1.678 2.846) 3.506 7.448 ( 5.011 -4.666 -1.548) 7.020 7.800 ( 3.224 0.071 7.976) 8.604 7.883 ( 2.222 -1.137 4.459) 5.110 8.017 ( 4.839 2.743 -0.436) 5.580 8.190 ( -2.782 -2.412 -1.350) 3.921 8.337 ( 2.258 0.195 -6.784) 7.153 8.485 ( 1.701 -4.415 -1.652) 5.012 8.935 ( -4.346 -1.218 3.126) 5.490 8.994 ( 0.492 -3.983 -1.200) 4.189 9.265 ( -5.004 6.716 6.033) 10.322 9.538 ( 9.288 5.028 1.507) 10.668 9.631 ( -0.294 -0.175 -2.774) 2.795 9.823 ( -0.793 -0.026 -5.206) 5.266 9.892 ( 1.808 -0.818 4.683) 5.087 10.058 ( -0.663 -12.295 -0.172) 12.314 10.237 ( 4.711 -0.756 -3.850) 6.131 10.343 ( -1.007 -5.105 -5.789) 7.783 10.577 ( 6.446 5.551 4.657) 9.698 10.754 ( -3.174 2.417 -1.446) 4.243 11.229 ( 4.837 -4.656 4.235) 7.938 11.372 ( -10.164 -8.707 -1.365) 13.453 12.053 ( -1.908 4.113 6.453) 7.887 12.194 ( 4.916 0.611 3.724) 6.198 12.421 ( -0.288 4.825 1.109) 4.959 12.675 ( 3.900 -4.491 -6.892) 9.104 13.302 ( 3.821 6.021 -0.260) 7.136 13.341 ( -2.577 1.154 -1.071) 3.020 13.739 ( -2.198 5.616 1.637) 6.249 13.811 ( -6.273 4.312 1.221) 7.709 14.000 ( 8.022 -0.213 -1.121) 8.103 14.026 ( -1.234 -3.434 -1.769) 4.055 14.508 ( -2.467 4.056 1.748) 5.058 14.700 ( 0.023 -1.478 -0.423) 1.538 14.766 ( -2.879 5.836 0.683) 6.543 15.043 ( 1.637 -6.977 -4.100) 8.256 15.673 ( 2.024 4.413 4.019) 6.303 15.770 ( 0.412 2.356 0.373) 2.421 16.473 ( -0.206 0.547 5.267) 5.300 16.784 ( -7.375 -10.663 -6.329) 14.428 22.415 ( -2.521 6.619 4.939) 8.635 22.593 ( 0.367 0.445 -0.653) 0.871 23.161 ( -1.216 5.287 -4.028) 6.756 23.390 ( 1.103 -4.791 -10.730) 11.802 23.985 ( -1.552 0.590 0.449) 1.720 24.001 ( 0.612 -0.047 -0.261) 0.667 24.197 ( -1.450 0.087 2.004) 2.475 24.243 ( -0.871 -1.772 -0.118) 1.978 24.682 ( 1.709 7.559 3.115) 8.353 24.868 ( -6.554 -0.838 -3.980) 7.713 25.331 ( 4.885 0.766 2.168) 5.399 25.377 ( 2.409 -1.250 1.830) 3.274 25.598 ( 1.638 -0.451 -2.506) 3.028 25.650 ( -2.261 -1.673 -3.152) 4.225 26.405 ( 3.255 -1.594 6.263) 7.236 26.490 ( -1.141 -4.216 1.715) 4.692 ======================= Grid point 177 (92/136) ======================= q-point: ( 0.09 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 23.077 8.093 17.504) 30.074 2.074 ( 11.140 3.411 6.488) 13.336 2.336 ( 7.151 13.458 -2.675) 15.472 2.791 ( 11.391 -5.407 3.855) 13.185 2.824 ( 4.643 13.363 -7.956) 16.231 3.176 ( 21.263 2.099 -4.567) 21.849 3.354 ( 9.842 -5.687 5.846) 12.782 3.441 ( 7.369 -11.388 8.394) 15.951 3.679 ( 3.245 1.773 2.725) 4.594 4.014 ( 3.527 1.318 -1.661) 4.115 4.206 ( 3.362 4.570 -3.956) 6.917 4.304 ( -0.166 1.914 -4.024) 4.459 4.903 ( 1.052 7.333 -1.126) 7.493 4.987 ( 1.497 2.747 -3.262) 4.520 5.244 ( 3.358 -7.781 -0.456) 8.487 5.285 ( 2.204 -8.670 -3.149) 9.484 5.652 ( -0.574 -0.912 2.364) 2.598 5.728 ( -1.003 -3.391 -3.793) 5.185 6.026 ( -11.125 10.389 6.732) 16.643 6.437 ( -3.794 -0.586 -2.922) 4.824 6.662 ( -10.687 3.192 7.262) 13.310 6.874 ( -6.527 -6.081 -3.752) 9.678 7.354 ( 1.721 -4.045 0.272) 4.405 7.534 ( 8.024 -3.812 -3.999) 9.742 7.791 ( -11.460 0.273 3.490) 11.983 7.838 ( -8.328 -2.468 -1.593) 8.831 8.061 ( 2.303 -1.307 -3.468) 4.363 8.168 ( 4.384 -3.728 -0.366) 5.766 8.395 ( 2.446 1.471 0.510) 2.900 8.442 ( -1.376 -1.481 -3.896) 4.389 8.861 ( -6.102 3.996 4.176) 8.405 9.055 ( 6.690 -4.266 1.032) 8.001 9.178 ( -9.149 8.236 0.601) 12.324 9.554 ( -3.606 -2.477 2.666) 5.123 9.708 ( 10.701 2.735 -7.597) 13.405 9.903 ( 8.368 -5.592 -2.973) 10.494 9.945 ( -0.710 0.492 1.138) 1.429 10.008 ( -2.376 -4.249 -1.100) 4.991 10.191 ( -4.664 0.257 -3.265) 5.699 10.283 ( 4.937 0.145 -1.888) 5.288 10.732 ( 8.112 -2.091 -2.866) 8.853 10.846 ( 7.311 -5.567 2.931) 9.645 11.267 ( 5.091 -0.520 1.410) 5.308 11.488 ( 13.474 -9.948 4.440) 17.327 12.008 ( -6.784 7.674 3.660) 10.877 12.304 ( 1.537 -5.577 2.172) 6.179 12.355 ( -5.665 5.865 -0.753) 8.189 12.625 ( -1.449 -5.455 -6.790) 8.830 13.247 ( -4.913 3.472 -2.289) 6.437 13.348 ( 0.000 3.137 1.094) 3.322 13.697 ( -4.628 6.183 0.721) 7.757 13.825 ( 4.697 4.382 2.605) 6.932 13.996 ( 1.383 0.097 -1.686) 2.183 14.167 ( 10.962 -2.820 -0.347) 11.325 14.473 ( -3.501 6.154 0.749) 7.120 14.672 ( -0.726 1.569 -3.975) 4.335 14.754 ( -2.466 2.427 6.561) 7.417 15.015 ( -0.590 -6.243 -3.290) 7.082 15.570 ( -13.445 8.903 0.451) 16.132 15.780 ( -1.739 -1.598 -0.124) 2.365 16.478 ( -6.465 -0.807 3.989) 7.639 16.695 ( 2.113 -7.982 1.332) 8.364 22.421 ( -2.689 7.331 5.264) 9.417 22.589 ( 0.504 1.548 -1.633) 2.306 23.078 ( -6.285 2.566 2.059) 7.094 23.267 ( -3.834 -4.814 -8.638) 10.606 23.981 ( 0.198 0.975 0.386) 1.067 24.031 ( 1.937 -1.196 0.228) 2.288 24.174 ( -2.225 0.294 1.824) 2.892 24.203 ( -2.199 -0.665 0.594) 2.373 24.788 ( 1.713 3.874 -2.340) 4.839 24.856 ( 9.754 1.373 5.517) 11.290 25.343 ( -2.976 0.516 -2.412) 3.865 25.400 ( -0.629 -1.569 -1.476) 2.244 25.584 ( 5.244 3.754 -1.221) 6.564 25.760 ( 10.801 -2.901 -0.983) 11.227 26.448 ( -2.938 -1.791 0.377) 3.461 26.512 ( 2.233 -5.701 1.864) 6.401 ======================= Grid point 178 (93/136) ======================= q-point: ( 0.18 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 7.374 15.033 -17.243) 24.035 2.413 ( 2.739 10.560 20.311) 23.055 2.516 ( 11.605 1.779 17.447) 21.029 2.797 ( 11.154 12.377 -16.083) 23.157 3.094 ( 9.425 -12.033 2.737) 15.528 3.441 ( 10.308 -10.115 4.844) 15.232 3.639 ( 20.564 -6.290 -3.274) 21.752 3.701 ( 7.175 -5.017 7.877) 11.777 4.012 ( 29.613 4.582 6.128) 30.585 4.123 ( 8.858 4.947 2.139) 10.369 4.295 ( 13.803 2.568 -4.598) 14.773 4.360 ( 12.894 1.761 -0.491) 13.023 4.942 ( 3.049 7.821 -2.772) 8.841 4.963 ( 1.969 7.961 -2.970) 8.722 5.301 ( 6.684 -7.556 -0.859) 10.125 5.354 ( -1.435 0.488 -0.750) 1.690 5.505 ( 1.002 -5.256 -3.781) 6.552 5.731 ( -5.477 0.468 4.751) 7.265 6.004 ( 0.624 -2.457 3.683) 4.471 6.148 ( -19.008 -11.257 -5.989) 22.889 6.621 ( -8.975 8.894 11.069) 16.798 6.840 ( 2.356 5.602 2.604) 6.612 7.235 ( -13.506 -2.033 -3.879) 14.198 7.589 ( -2.235 -10.843 -5.189) 12.227 7.637 ( -2.799 -1.038 -1.363) 3.281 7.703 ( -2.518 -0.379 0.893) 2.698 8.072 ( 2.657 1.158 -2.398) 3.762 8.198 ( -4.130 0.917 0.992) 4.345 8.293 ( -2.636 -1.583 -4.432) 5.394 8.411 ( -4.725 -4.907 -2.726) 7.337 8.849 ( -2.602 9.931 2.900) 10.668 9.033 ( -5.824 8.244 -2.335) 10.361 9.131 ( 1.605 1.094 -5.013) 5.376 9.550 ( 0.805 -4.944 1.942) 5.372 9.723 ( -0.981 -1.672 1.467) 2.432 9.856 ( -0.762 -6.065 -8.262) 10.277 9.990 ( 7.191 -5.118 -1.702) 8.989 10.077 ( 5.705 -4.559 1.196) 7.401 10.245 ( 8.470 4.280 -0.568) 9.507 10.388 ( 8.180 3.723 1.999) 9.207 10.817 ( 2.614 -8.032 -1.107) 8.519 10.937 ( 4.750 -8.736 0.712) 9.969 11.520 ( 15.278 3.546 3.437) 16.056 11.657 ( 2.053 -1.917 0.315) 2.827 11.979 ( 2.474 5.763 -0.876) 6.332 12.135 ( -14.407 0.047 2.281) 14.587 12.413 ( 6.763 -3.929 -1.034) 7.889 12.504 ( -4.046 -5.921 -6.185) 9.470 13.149 ( -3.993 3.754 -0.762) 5.534 13.344 ( -1.295 -3.358 0.096) 3.600 13.628 ( -4.766 12.828 2.953) 13.999 13.910 ( 2.253 -1.427 0.921) 2.821 14.065 ( 6.386 7.827 0.114) 10.102 14.319 ( 5.785 0.757 -2.950) 6.537 14.404 ( -4.413 5.358 0.729) 6.980 14.603 ( -2.927 -1.999 -2.361) 4.259 14.811 ( 1.158 1.498 6.949) 7.203 14.963 ( -2.807 -4.131 -0.214) 4.999 15.333 ( -12.226 9.872 -0.493) 15.722 15.699 ( -4.962 -6.927 -2.432) 8.861 16.393 ( -5.918 4.731 1.404) 7.706 16.763 ( -1.041 -11.598 5.355) 12.817 22.429 ( -2.642 7.673 5.484) 9.795 22.582 ( 1.024 2.084 -2.138) 3.156 22.996 ( -7.722 -1.196 5.077) 9.319 23.099 ( -6.743 -4.304 -6.219) 10.132 23.967 ( -2.197 0.693 -0.075) 2.305 24.009 ( -3.427 -1.176 -1.062) 3.775 24.213 ( 4.298 -0.411 1.099) 4.455 24.240 ( 4.849 -1.431 2.409) 5.600 24.818 ( 3.280 7.781 -0.100) 8.444 25.107 ( 9.340 -5.411 8.534) 13.760 25.247 ( -3.687 1.411 -4.334) 5.862 25.340 ( -0.115 -2.758 -5.380) 6.046 25.745 ( 11.392 7.253 1.492) 13.587 25.923 ( 8.581 -0.655 -0.027) 8.606 26.384 ( -2.959 0.110 -1.922) 3.530 26.547 ( 1.450 -7.757 -1.142) 7.974 ======================= Grid point 179 (94/136) ======================= q-point: ( 0.27 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 4.271 18.876 -13.385) 23.531 2.591 ( -6.358 3.174 21.572) 22.713 2.827 ( 10.140 8.105 -14.552) 19.500 2.878 ( 9.472 4.279 16.816) 19.769 3.215 ( 5.677 -10.046 1.520) 11.639 3.590 ( 2.522 -11.896 1.501) 12.252 3.768 ( -3.005 -7.327 6.373) 10.166 3.902 ( 3.822 -6.327 7.634) 10.626 4.260 ( 11.787 12.938 -3.009) 17.759 4.607 ( 16.619 -1.279 -0.057) 16.668 4.682 ( 20.057 7.302 -4.745) 21.866 4.695 ( 8.983 9.949 3.015) 13.740 4.784 ( 27.042 2.727 -2.118) 27.262 5.186 ( 12.964 1.123 2.319) 13.217 5.324 ( 5.012 1.700 -2.373) 5.800 5.456 ( 5.106 -6.389 -0.215) 8.181 5.526 ( -0.643 -5.183 0.767) 5.279 5.731 ( 4.413 3.280 2.057) 5.871 5.824 ( -5.721 -15.255 -3.378) 16.639 6.041 ( 0.963 -5.753 -2.285) 6.264 6.594 ( -5.469 12.786 10.077) 17.174 6.845 ( -8.184 10.317 -3.157) 13.542 7.000 ( -7.510 -3.419 6.231) 10.340 7.365 ( -11.572 -11.511 -5.023) 17.077 7.660 ( 4.277 -0.551 -1.131) 4.458 7.748 ( 4.265 -2.205 -1.296) 4.973 8.032 ( -8.615 4.069 -6.992) 11.818 8.100 ( 1.941 5.896 -1.073) 6.300 8.227 ( -8.847 -1.061 4.125) 9.818 8.341 ( 2.575 -6.505 -0.500) 7.014 8.743 ( -7.152 6.074 -5.221) 10.738 8.904 ( -8.665 3.609 -1.334) 9.481 9.067 ( -0.106 9.707 -6.226) 11.533 9.548 ( -1.643 0.953 -1.241) 2.269 9.765 ( 1.270 -11.338 -3.548) 11.948 9.855 ( 5.215 -8.218 -0.435) 9.742 10.042 ( 3.825 -4.307 0.632) 5.795 10.236 ( 7.963 -8.217 5.658) 12.765 10.380 ( 7.565 6.520 -1.995) 10.184 10.582 ( 10.584 2.291 1.173) 10.893 10.801 ( -3.642 -6.633 0.733) 7.603 11.012 ( 3.567 -9.495 -1.393) 10.238 11.584 ( -5.056 3.524 -2.465) 6.637 11.756 ( 3.349 -3.311 0.059) 4.709 11.889 ( -5.465 8.351 -6.483) 11.901 12.083 ( 4.230 3.834 2.935) 6.419 12.410 ( 0.663 -5.041 -4.342) 6.686 12.563 ( 10.697 -5.641 1.368) 12.170 13.113 ( -0.492 3.303 1.266) 3.572 13.289 ( -5.422 -5.271 0.996) 7.627 13.622 ( -0.453 15.336 4.656) 16.033 13.930 ( 0.174 -0.707 -1.694) 1.844 14.124 ( -1.228 10.659 -3.809) 11.386 14.258 ( -2.378 5.669 -2.415) 6.605 14.360 ( -6.305 2.257 4.797) 8.238 14.569 ( -1.235 -8.694 2.298) 9.077 14.897 ( 0.321 0.509 2.994) 3.054 14.971 ( 3.429 -2.794 4.981) 6.662 15.174 ( -5.045 9.429 -1.534) 10.803 15.599 ( -3.031 -9.696 -2.881) 10.560 16.297 ( -6.340 7.527 0.041) 9.841 16.731 ( -6.705 -12.568 1.688) 14.344 22.440 ( -2.543 7.678 5.418) 9.736 22.586 ( 2.040 2.130 -2.018) 3.574 22.893 ( -7.452 -3.500 -1.434) 8.357 22.945 ( -7.274 -4.218 1.835) 8.607 23.924 ( -2.362 0.209 0.323) 2.393 23.944 ( -2.553 -0.700 -0.425) 2.681 24.311 ( 5.881 -0.927 -0.118) 5.955 24.357 ( 5.409 -2.934 1.336) 6.297 24.886 ( 2.260 9.096 3.523) 10.013 25.097 ( -6.480 0.415 -4.146) 7.704 25.299 ( 3.239 -1.868 -4.810) 6.093 25.359 ( 7.519 -6.442 4.933) 11.062 25.965 ( 10.667 6.985 3.254) 13.159 26.051 ( 5.770 1.593 1.332) 6.132 26.325 ( -1.001 0.794 -2.449) 2.762 26.549 ( 1.916 -8.015 -3.491) 8.949 ======================= Grid point 180 (95/136) ======================= q-point: ( 0.36 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 8.170 16.641 -1.510) 18.600 2.638 ( -9.619 1.495 16.046) 18.768 2.868 ( 8.039 2.367 -7.192) 11.043 3.145 ( 3.670 0.683 12.018) 12.584 3.354 ( 6.615 -1.773 4.502) 8.195 3.623 ( 3.536 -9.180 -1.801) 10.001 3.768 ( -5.029 -2.582 5.451) 7.853 3.973 ( -4.055 -8.907 8.553) 12.997 4.342 ( -7.124 15.617 2.809) 17.393 4.486 ( 4.371 8.249 -3.039) 9.818 4.827 ( 3.497 -3.297 -2.239) 5.302 5.056 ( 8.669 -2.593 -3.836) 9.828 5.235 ( 0.849 -0.554 4.671) 4.780 5.259 ( 13.488 4.935 -5.526) 15.389 5.479 ( 7.529 -1.974 2.190) 8.086 5.575 ( 14.940 -2.213 6.809) 16.567 5.664 ( 10.148 -12.124 -2.266) 15.973 5.725 ( -1.725 -6.585 -5.698) 8.877 5.996 ( 22.364 4.565 0.836) 22.840 6.111 ( 12.086 1.527 -1.881) 12.326 6.636 ( 2.304 6.202 -6.835) 9.512 6.661 ( -7.662 9.317 10.452) 15.961 6.956 ( -7.247 -1.208 3.211) 8.018 7.193 ( -4.188 -5.887 -0.042) 7.225 7.708 ( 0.742 1.555 -2.942) 3.410 7.757 ( -2.636 -4.974 0.800) 5.686 7.893 ( 1.517 3.324 -3.730) 5.221 8.052 ( -2.633 0.505 -4.233) 5.011 8.193 ( -2.601 5.379 6.903) 9.130 8.400 ( -3.544 -0.928 7.402) 8.259 8.576 ( -1.920 -0.044 -7.613) 7.852 8.693 ( -11.638 0.839 -3.920) 12.309 9.031 ( 1.842 12.161 -3.935) 12.913 9.492 ( -1.943 1.492 -4.175) 4.840 9.736 ( 1.555 -11.306 -6.715) 13.241 9.842 ( -0.254 -6.590 -3.561) 7.495 10.207 ( 6.783 -8.708 5.740) 12.442 10.414 ( 7.059 -9.533 2.156) 12.057 10.442 ( 1.183 6.094 -0.158) 6.210 10.657 ( -4.848 -2.734 2.077) 5.941 10.806 ( 6.547 0.512 -2.352) 6.975 11.028 ( 2.557 -5.746 -3.800) 7.348 11.448 ( -8.967 1.181 0.403) 9.054 11.670 ( -5.894 -8.625 -0.286) 10.451 11.748 ( -3.623 9.401 -12.480) 16.039 12.231 ( 7.787 -6.327 -3.048) 10.486 12.438 ( 5.823 8.529 1.059) 10.381 12.783 ( 10.361 -2.289 3.741) 11.251 13.150 ( 1.861 3.048 3.565) 5.046 13.222 ( -3.451 2.120 2.986) 5.031 13.654 ( -0.658 8.262 -0.618) 8.311 13.841 ( -6.761 1.677 -7.521) 10.251 14.011 ( -2.925 8.563 2.374) 9.355 14.242 ( -3.374 1.230 5.514) 6.581 14.354 ( -1.271 1.182 7.641) 7.836 14.569 ( -1.930 -7.510 2.625) 8.187 14.914 ( -0.611 2.298 1.646) 2.892 15.049 ( 0.230 -0.035 -2.927) 2.936 15.181 ( 5.436 4.205 5.228) 8.635 15.545 ( -0.529 -9.376 -1.865) 9.574 16.181 ( -6.218 7.738 -1.401) 10.026 16.588 ( -8.214 -11.362 -3.419) 14.431 22.448 ( -2.760 7.384 4.996) 9.333 22.613 ( 3.060 2.574 -1.679) 4.336 22.760 ( -3.965 -3.855 -3.158) 6.368 22.859 ( -6.798 -5.638 3.921) 9.663 23.904 ( -0.869 0.104 1.451) 1.694 23.921 ( -0.623 -0.668 1.163) 1.478 24.386 ( 3.879 -0.925 -2.600) 4.760 24.441 ( 3.527 -3.289 0.387) 4.838 24.925 ( -4.920 4.049 -1.220) 6.487 24.954 ( -1.349 3.065 -1.173) 3.548 25.322 ( 4.333 1.260 -2.484) 5.152 25.505 ( 4.095 -6.191 3.401) 8.165 26.129 ( 4.388 4.036 1.590) 6.170 26.162 ( 4.607 5.186 3.864) 7.940 26.306 ( 0.796 -0.702 -0.861) 1.367 26.550 ( 3.014 -7.275 -4.646) 9.143 ======================= Grid point 181 (96/136) ======================= q-point: ( 0.45 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 4.846 9.972 9.318) 14.483 2.613 ( -7.328 4.649 11.079) 14.074 2.987 ( 11.052 -0.993 -0.035) 11.096 3.243 ( -1.317 2.274 5.961) 6.515 3.473 ( -3.560 -4.518 1.167) 5.870 3.583 ( -11.053 0.365 -1.744) 11.196 3.689 ( 1.323 2.948 3.344) 4.650 4.017 ( 0.403 -12.267 8.278) 14.804 4.363 ( 6.839 8.161 7.658) 13.115 4.627 ( 8.792 2.567 1.599) 9.297 4.725 ( -4.930 -2.134 -6.427) 8.376 5.078 ( -2.382 -7.670 -7.734) 11.150 5.207 ( -3.992 4.199 2.392) 6.268 5.404 ( -0.484 0.613 -2.447) 2.568 5.439 ( -2.323 -0.247 2.735) 3.597 5.680 ( 3.271 -5.697 2.612) 7.069 5.731 ( 4.591 1.080 -1.668) 5.003 5.946 ( 12.774 -9.839 -5.102) 16.911 6.302 ( 7.634 7.634 3.541) 11.362 6.413 ( 16.876 -0.042 0.138) 16.876 6.548 ( -2.449 6.666 -3.820) 8.064 6.697 ( -2.691 -0.067 -0.772) 2.800 6.912 ( 0.835 7.118 6.462) 9.650 7.187 ( 2.308 1.229 0.617) 2.687 7.664 ( -1.903 -2.992 1.975) 4.059 7.722 ( -4.909 -0.226 3.130) 5.826 7.887 ( -2.329 -0.993 -2.219) 3.367 7.996 ( -0.383 -3.802 -3.167) 4.963 8.193 ( -3.537 6.887 6.492) 10.104 8.312 ( -12.231 -0.711 6.804) 14.014 8.498 ( 2.947 3.872 -8.440) 9.742 8.613 ( 7.043 -3.260 -5.363) 9.434 9.045 ( 3.072 11.119 -1.910) 11.693 9.380 ( -2.536 0.266 -9.951) 10.273 9.698 ( 2.664 -3.558 -6.116) 7.560 9.872 ( 4.576 -9.840 1.409) 10.943 10.266 ( -4.330 0.037 -0.249) 4.338 10.411 ( -3.863 -10.088 4.830) 11.833 10.548 ( 4.033 -1.871 -1.141) 4.590 10.588 ( 0.333 -2.681 -1.521) 3.100 10.880 ( 5.378 0.313 -2.897) 6.117 11.064 ( 4.653 -3.589 -3.151) 6.668 11.311 ( -6.839 0.716 1.921) 7.140 11.495 ( -8.843 -0.158 -9.601) 13.054 11.659 ( -0.609 -2.386 2.670) 3.632 12.165 ( -3.529 -15.671 -11.932) 20.010 12.653 ( 10.260 16.414 7.727) 20.842 12.938 ( 4.118 5.127 1.360) 6.715 13.212 ( -1.733 7.356 5.372) 9.272 13.245 ( 2.423 4.578 0.918) 5.261 13.569 ( -4.349 2.163 -4.002) 6.293 13.642 ( -4.591 2.354 -6.372) 8.199 14.106 ( 3.925 0.586 9.996) 10.755 14.248 ( -3.955 -2.069 7.545) 8.766 14.438 ( 1.564 0.789 7.539) 7.739 14.565 ( -0.625 -4.683 1.846) 5.072 14.898 ( -1.265 3.833 -2.151) 4.573 14.997 ( -0.719 2.131 -4.790) 5.292 15.351 ( 5.983 -0.677 6.596) 8.931 15.540 ( 0.795 -6.865 -0.047) 6.911 16.071 ( -4.388 6.483 -1.360) 7.946 16.412 ( -5.304 -9.466 -7.221) 13.033 22.444 ( -3.352 6.549 4.716) 8.739 22.624 ( 1.076 3.305 -3.593) 4.999 22.731 ( -0.167 -5.978 2.416) 6.450 22.798 ( -1.290 -4.383 0.346) 4.582 23.924 ( 0.686 0.064 2.467) 2.561 23.939 ( 0.563 -0.676 2.042) 2.224 24.394 ( 0.780 0.293 -2.863) 2.982 24.465 ( -0.738 -3.138 -1.995) 3.791 24.815 ( -2.096 3.773 -2.098) 4.798 24.936 ( -1.045 -1.686 -2.372) 3.092 25.391 ( 3.262 3.799 2.334) 5.524 25.568 ( 1.016 -3.889 0.531) 4.054 26.181 ( 0.287 3.763 1.525) 4.070 26.236 ( 1.176 6.967 0.784) 7.109 26.327 ( -0.356 -3.087 2.933) 4.273 26.559 ( 3.616 -7.153 -4.929) 9.409 ======================= Grid point 182 (97/136) ======================= q-point: (-0.45 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( -16.021 10.282 12.229) 22.626 2.689 ( 3.501 -0.549 2.652) 4.426 3.116 ( -18.716 10.695 0.511) 21.562 3.253 ( 14.066 -1.561 7.600) 16.064 3.319 ( -2.714 -2.714 1.327) 4.061 3.459 ( -3.189 -5.610 0.561) 6.477 3.851 ( 5.943 0.883 7.755) 9.810 4.113 ( 3.017 -8.572 3.939) 9.905 4.589 ( -4.550 1.342 -4.759) 6.720 4.592 ( 6.333 3.009 2.689) 7.509 4.766 ( 4.928 -3.032 0.203) 5.790 4.821 ( -6.480 1.546 -13.423) 14.986 5.208 ( -0.366 4.618 10.779) 11.732 5.336 ( -6.359 -3.294 3.206) 7.846 5.557 ( 6.236 -3.511 1.933) 7.413 5.650 ( 0.094 -1.086 -9.645) 9.706 5.806 ( 1.512 -2.501 0.886) 3.054 5.985 ( 1.466 -7.138 -7.807) 10.679 6.323 ( -20.283 5.540 1.479) 21.078 6.390 ( -3.194 6.046 6.688) 9.565 6.459 ( -10.311 0.997 -2.152) 10.581 6.630 ( -3.578 -3.255 -2.771) 5.574 7.011 ( -0.766 12.759 6.316) 14.257 7.267 ( 5.320 4.699 -0.804) 7.144 7.641 ( -1.641 -0.978 3.691) 4.156 7.728 ( 0.467 0.797 1.926) 2.136 7.838 ( 0.604 -4.973 0.948) 5.098 7.936 ( -1.701 -9.701 -4.170) 10.695 8.178 ( -5.713 4.204 6.635) 9.712 8.304 ( 4.099 0.522 3.647) 5.512 8.534 ( 8.786 4.776 -6.318) 11.829 8.708 ( 11.535 -3.527 -7.017) 13.955 9.085 ( 3.351 7.653 -2.030) 8.597 9.243 ( 0.125 3.829 -11.745) 12.354 9.704 ( -0.204 -0.988 1.604) 1.895 9.955 ( 6.948 -4.174 -8.692) 11.885 10.193 ( -4.124 -4.187 8.014) 9.938 10.361 ( -8.029 -9.737 4.343) 13.346 10.538 ( 2.580 1.182 -4.038) 4.935 10.663 ( 5.217 0.096 -1.879) 5.546 10.932 ( 2.895 -0.290 -2.147) 3.616 11.062 ( -0.148 -0.611 -6.050) 6.083 11.265 ( -3.136 -1.524 2.206) 4.126 11.316 ( -0.920 -2.927 -2.421) 3.909 11.692 ( -2.094 -7.458 7.920) 11.078 11.957 ( -6.676 -14.369 -9.811) 18.636 12.846 ( 1.974 13.257 3.396) 13.827 12.939 ( -2.526 12.096 -3.258) 12.779 13.184 ( -3.137 5.830 4.624) 8.075 13.280 ( -0.137 6.945 1.631) 7.136 13.488 ( -1.491 0.534 -1.023) 1.885 13.614 ( 5.915 1.500 -4.373) 7.507 14.234 ( -4.544 -3.025 6.359) 8.381 14.290 ( 4.036 -5.759 8.537) 11.061 14.537 ( 2.244 0.450 4.945) 5.449 14.593 ( 0.596 -1.392 2.567) 2.980 14.840 ( -0.454 4.418 -3.813) 5.853 14.940 ( -0.099 0.503 -5.323) 5.347 15.486 ( 2.845 -1.469 4.265) 5.333 15.549 ( -0.247 -3.085 -0.849) 3.209 16.039 ( 0.585 3.634 3.732) 5.242 16.287 ( 0.394 -7.296 -8.301) 11.059 22.430 ( -3.580 5.085 4.387) 7.610 22.612 ( 0.480 1.027 -1.189) 1.643 22.709 ( -2.047 -1.466 0.497) 2.566 22.880 ( 8.658 -5.066 -0.627) 10.050 23.964 ( 0.902 -0.355 1.774) 2.021 23.969 ( 0.774 -0.587 1.309) 1.630 24.373 ( -1.427 0.334 -0.590) 1.580 24.386 ( -3.734 -0.109 -2.379) 4.429 24.823 ( 2.534 0.504 1.055) 2.790 24.881 ( -0.960 -2.047 -4.324) 4.879 25.462 ( 0.969 3.103 3.949) 5.115 25.553 ( -1.633 -0.761 -2.291) 2.915 26.174 ( -2.682 4.810 1.600) 5.735 26.232 ( -2.232 5.817 0.268) 6.237 26.334 ( -2.282 -3.158 3.320) 5.119 26.567 ( 2.663 -8.620 -4.974) 10.302 ======================= Grid point 183 (98/136) ======================= q-point: (-0.36 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( -18.565 14.782 7.670) 24.939 2.527 ( -17.838 4.914 -5.290) 19.243 2.981 ( -4.332 -1.193 9.377) 10.398 3.213 ( -10.493 -6.932 3.176) 12.971 3.523 ( 6.476 -2.301 3.447) 7.689 3.586 ( 12.652 -4.017 4.160) 13.911 3.970 ( 2.095 -0.126 1.211) 2.423 4.166 ( -3.131 -0.629 3.167) 4.498 4.389 ( -12.738 7.142 -4.041) 15.153 4.520 ( 0.516 7.791 -7.813) 11.046 4.755 ( -2.583 -5.848 -1.108) 6.489 4.846 ( 0.144 -6.058 2.740) 6.650 5.244 ( -9.456 2.963 0.738) 9.936 5.371 ( 1.650 0.104 8.101) 8.268 5.426 ( -5.160 2.917 -8.995) 10.773 5.656 ( -6.504 -4.069 0.879) 7.721 5.754 ( -5.109 -3.210 -2.590) 6.566 5.833 ( -14.671 -3.184 -5.304) 15.922 5.991 ( -8.400 4.962 0.471) 9.767 6.193 ( -15.248 0.370 -2.099) 15.396 6.366 ( -4.211 -0.293 1.333) 4.426 6.588 ( 1.057 -6.926 9.205) 11.568 7.058 ( 2.374 13.980 4.282) 14.813 7.312 ( 4.995 3.329 -6.351) 8.739 7.690 ( -0.910 3.511 -1.955) 4.120 7.727 ( -0.053 1.936 3.500) 4.000 7.859 ( -0.496 -7.589 0.963) 7.666 7.906 ( 3.677 -10.296 -2.880) 11.306 8.176 ( -0.779 4.170 2.100) 4.733 8.388 ( 1.387 -2.897 1.736) 3.651 8.658 ( 7.801 5.440 -0.401) 9.519 8.858 ( 12.147 -3.038 -5.942) 13.859 9.112 ( 5.660 6.098 -7.980) 11.528 9.186 ( 2.557 5.091 -1.251) 5.833 9.703 ( 1.971 5.631 -4.374) 7.398 9.979 ( 6.246 -2.216 -5.350) 8.517 10.246 ( -3.354 -8.246 1.065) 8.965 10.277 ( -3.353 -13.993 8.307) 16.615 10.498 ( -5.371 4.507 0.379) 7.022 10.687 ( -1.394 2.052 -2.332) 3.405 10.907 ( -5.329 4.743 -1.030) 7.208 11.048 ( 10.874 -1.699 -6.824) 12.950 11.256 ( -3.458 -0.031 7.614) 8.363 11.365 ( 3.136 -7.686 0.102) 8.302 11.692 ( -4.758 -8.897 0.659) 10.111 11.835 ( 0.315 -12.997 2.943) 13.329 12.694 ( -11.491 12.467 -4.842) 17.633 12.860 ( -9.648 4.068 1.621) 10.595 13.244 ( 3.683 5.196 -0.385) 6.381 13.308 ( 3.191 7.162 1.224) 7.936 13.501 ( 2.694 4.597 1.670) 5.584 13.693 ( 6.672 2.434 -1.971) 7.370 14.180 ( -6.078 -1.062 1.788) 6.424 14.413 ( 0.138 -7.415 5.638) 9.316 14.575 ( -1.616 1.627 -0.705) 2.399 14.624 ( 2.379 0.703 2.404) 3.455 14.863 ( 2.228 0.093 2.834) 3.606 14.885 ( 2.220 -0.633 -7.521) 7.867 15.494 ( -1.440 1.020 -6.296) 6.539 15.540 ( 0.524 -1.235 2.154) 2.538 16.164 ( 5.136 -0.566 6.689) 8.453 16.287 ( 7.275 -4.570 -1.668) 8.751 22.413 ( -3.211 4.104 4.093) 6.626 22.606 ( -2.239 -4.161 2.707) 5.446 22.716 ( 4.965 7.984 -3.568) 10.056 23.042 ( 11.203 -6.873 -1.599) 13.240 23.973 ( -0.134 -0.415 -0.769) 0.884 23.985 ( 0.137 -0.855 -0.509) 1.004 24.294 ( -3.990 1.570 -0.014) 4.288 24.375 ( -1.419 -2.138 2.926) 3.892 24.833 ( 0.296 1.494 -2.073) 2.573 24.898 ( 3.398 -1.499 2.310) 4.374 25.465 ( -4.327 3.055 -5.277) 7.477 25.495 ( -1.308 1.136 3.119) 3.568 26.130 ( -4.353 5.875 2.220) 7.641 26.163 ( -6.430 4.521 1.010) 7.925 26.332 ( -0.995 -3.978 2.299) 4.701 26.534 ( -0.815 -10.825 -5.678) 12.251 ======================= Grid point 184 (99/136) ======================= q-point: (-0.27 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( -17.674 19.494 3.563) 26.553 2.193 ( -17.222 12.595 3.143) 21.566 3.002 ( -6.563 -6.496 11.297) 14.592 3.051 ( -13.025 -12.816 4.904) 18.920 3.598 ( 2.144 -2.679 -7.093) 7.879 3.691 ( -2.323 -5.581 -6.659) 8.994 3.950 ( -11.090 6.071 4.030) 13.269 3.966 ( -14.571 13.186 -2.724) 19.839 4.201 ( -11.700 -4.447 6.404) 14.060 4.422 ( -27.708 -5.942 -3.859) 28.599 4.586 ( 7.741 11.496 0.016) 13.859 4.850 ( -9.730 -1.253 0.912) 9.853 4.960 ( -10.882 2.799 -1.964) 11.407 5.244 ( -13.918 -2.254 -6.839) 15.670 5.330 ( -11.574 5.641 -0.564) 12.888 5.531 ( -3.997 -6.164 2.512) 7.765 5.560 ( -5.495 -0.029 0.836) 5.559 5.694 ( 3.579 -5.820 -2.386) 7.237 5.992 ( 1.585 -2.482 -2.685) 3.986 6.024 ( -0.449 -4.081 -4.583) 6.153 6.390 ( 6.393 4.021 5.868) 9.564 6.826 ( 11.662 -8.805 10.453) 17.967 7.185 ( 7.475 11.792 1.347) 14.026 7.340 ( 7.050 0.158 -7.320) 10.164 7.582 ( -5.883 6.302 -2.523) 8.983 7.722 ( -3.889 0.214 -0.558) 3.935 7.882 ( 4.897 -4.817 -1.947) 7.139 8.013 ( 8.253 -7.667 0.343) 11.270 8.171 ( -1.675 1.482 2.851) 3.624 8.392 ( -0.603 -3.269 -0.398) 3.348 8.741 ( 0.447 5.699 3.339) 6.620 8.950 ( 5.468 -1.103 -4.363) 7.081 9.124 ( 5.604 9.335 -10.345) 15.019 9.295 ( 4.207 -0.526 6.311) 7.603 9.699 ( 5.970 8.680 -9.304) 14.056 10.045 ( 3.947 -2.629 -1.904) 5.110 10.130 ( -6.930 -3.825 -2.642) 8.345 10.319 ( -1.448 -16.613 3.241) 16.988 10.414 ( -4.818 1.648 0.691) 5.139 10.649 ( -1.917 -0.293 4.343) 4.756 10.742 ( -10.727 2.155 -2.060) 11.134 11.101 ( -4.720 -7.718 -9.581) 13.177 11.301 ( -2.484 5.282 11.911) 13.265 11.414 ( 8.345 0.368 3.635) 9.110 11.689 ( 0.807 -4.806 1.745) 5.176 11.923 ( 1.733 -11.288 7.423) 13.620 12.488 ( -4.619 7.443 -4.844) 10.010 12.653 ( -13.108 -0.089 -1.367) 13.179 13.259 ( 1.588 3.867 -3.897) 5.714 13.364 ( 1.662 1.304 -0.576) 2.190 13.611 ( 5.974 8.955 3.339) 11.271 13.810 ( 7.193 3.265 1.628) 8.065 14.072 ( -6.541 3.190 -0.896) 7.332 14.370 ( -7.357 -0.627 0.301) 7.390 14.571 ( 0.766 -3.400 0.317) 3.500 14.678 ( 0.973 -1.273 1.647) 2.298 14.829 ( 1.360 1.131 -5.999) 6.254 14.962 ( 3.125 -4.159 3.187) 6.100 15.410 ( 1.405 4.199 -8.620) 9.691 15.571 ( 2.003 -1.871 0.592) 2.804 16.275 ( 5.730 1.986 -0.300) 6.072 16.522 ( 11.664 -7.872 10.540) 17.582 22.403 ( -2.722 4.159 4.081) 6.432 22.595 ( -1.843 -4.159 2.340) 5.116 22.810 ( 9.846 11.521 -2.790) 15.409 23.217 ( 12.380 -7.801 -4.251) 15.238 23.959 ( 0.161 -0.378 -1.131) 1.203 23.972 ( -0.046 -0.777 -1.279) 1.497 24.239 ( -3.691 1.477 1.513) 4.253 24.362 ( -3.305 -4.734 1.941) 6.091 24.864 ( 2.345 4.704 3.535) 6.334 24.981 ( 3.015 -1.536 3.328) 4.746 25.302 ( -6.726 6.804 -7.876) 12.392 25.476 ( -3.362 -1.417 0.858) 3.748 26.043 ( -8.632 2.940 1.242) 9.203 26.077 ( -4.813 6.009 2.481) 8.089 26.334 ( -1.354 -7.126 -1.541) 7.415 26.428 ( -4.179 -9.856 -3.043) 11.129 ======================= Grid point 185 (100/136) ======================= q-point: (-0.18 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -15.380 23.714 4.279) 28.587 2.016 ( -14.469 17.791 13.537) 26.630 2.834 ( -23.333 -4.346 10.229) 25.845 2.963 ( -10.412 -11.050 9.796) 18.068 3.302 ( -22.258 4.920 -10.044) 24.910 3.461 ( -11.025 -4.457 -10.678) 15.982 3.666 ( -32.429 -0.076 0.606) 32.435 3.696 ( -18.109 7.539 -0.393) 19.620 3.874 ( -7.232 -8.114 3.219) 11.336 4.204 ( -4.948 -3.297 1.448) 6.119 4.604 ( -11.640 3.596 -8.204) 14.688 4.726 ( -11.716 -2.069 -2.226) 12.104 4.753 ( 3.976 14.056 0.982) 14.640 4.958 ( -4.924 2.214 -6.215) 8.232 5.174 ( -4.181 3.731 2.054) 5.969 5.473 ( -2.982 6.438 -0.391) 7.106 5.708 ( 5.798 -13.329 -7.889) 16.538 5.765 ( 9.016 -10.644 8.347) 16.256 5.971 ( 3.059 -5.897 -5.566) 8.666 6.030 ( 4.318 -5.881 0.177) 7.298 6.639 ( 12.421 9.344 5.394) 16.453 7.087 ( 7.509 -0.731 2.770) 8.037 7.285 ( 6.149 1.023 -4.354) 7.603 7.412 ( 6.155 -6.368 -3.372) 9.476 7.492 ( -1.679 6.880 1.622) 7.266 7.659 ( -2.240 0.016 2.487) 3.348 8.007 ( 8.732 -2.520 0.457) 9.100 8.037 ( -0.112 8.009 -3.339) 8.678 8.294 ( 8.307 -8.972 4.339) 12.974 8.385 ( 1.653 -2.622 -1.587) 3.482 8.779 ( -0.266 3.221 6.736) 7.472 8.995 ( 0.824 -3.151 0.284) 3.269 9.094 ( 5.282 12.106 -8.662) 15.795 9.388 ( -0.656 -3.224 6.920) 7.662 9.714 ( 4.053 3.829 -7.298) 9.184 9.975 ( -7.946 0.837 -0.335) 7.997 10.047 ( 0.845 -4.356 -7.135) 8.402 10.288 ( -4.993 -7.923 -3.008) 9.836 10.318 ( -4.220 0.436 -2.424) 4.886 10.487 ( -11.577 5.437 -2.552) 13.042 10.713 ( -2.155 -7.420 4.020) 8.710 10.844 ( -12.447 -8.276 -0.757) 14.967 11.388 ( -4.442 5.013 11.692) 13.475 11.613 ( 2.710 -5.172 2.030) 6.182 11.683 ( 2.930 7.330 3.944) 8.824 12.019 ( 0.517 -7.657 7.498) 10.729 12.438 ( -6.233 2.166 -0.758) 6.642 12.491 ( 7.866 0.827 -6.332) 10.132 13.246 ( 1.704 2.792 -3.620) 4.879 13.364 ( -0.140 -1.964 -0.674) 2.081 13.732 ( 4.984 8.385 1.283) 9.838 13.915 ( -0.859 -1.605 -0.449) 1.875 13.987 ( -0.206 9.563 3.242) 10.099 14.208 ( -10.516 1.530 -1.197) 10.694 14.573 ( -1.592 -2.843 0.815) 3.359 14.685 ( 1.250 -3.546 -2.609) 4.576 14.819 ( 1.273 4.427 -1.429) 4.823 15.022 ( 1.592 -6.495 0.684) 6.722 15.404 ( 6.503 5.910 -5.127) 10.173 15.630 ( 4.514 -2.546 0.189) 5.186 16.368 ( 4.525 5.721 0.580) 7.318 16.809 ( 9.512 -14.154 7.053) 18.454 22.402 ( -2.336 4.865 4.337) 6.923 22.590 ( -0.779 -2.174 1.081) 2.550 22.988 ( 13.271 10.458 -2.701) 17.111 23.364 ( 11.332 -7.006 -7.896) 15.487 23.963 ( 1.044 -0.064 0.177) 1.061 23.979 ( 1.759 -0.740 -0.072) 1.910 24.192 ( -3.436 0.757 1.487) 3.820 24.306 ( -3.834 -4.665 -0.156) 6.041 24.921 ( -3.811 6.979 1.812) 8.155 25.071 ( 3.058 -1.100 5.064) 6.018 25.129 ( -2.266 6.139 -4.069) 7.705 25.388 ( -6.207 -5.047 -2.798) 8.475 25.897 ( -9.486 0.885 -0.218) 9.530 25.959 ( -10.180 0.487 -3.762) 10.864 26.233 ( -3.017 -1.953 0.700) 3.662 26.426 ( 0.619 -6.506 3.536) 7.431 ======================= Grid point 186 (101/136) ======================= q-point: (-0.09 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -14.462 24.825 10.527) 30.599 1.932 ( -14.319 16.258 18.697) 28.617 2.492 ( -23.488 1.343 9.222) 25.269 2.800 ( -23.622 -6.657 1.525) 24.590 2.891 ( -9.453 2.534 -3.455) 10.379 3.100 ( -11.882 -1.984 5.672) 13.315 3.294 ( -8.181 6.155 -11.655) 15.513 3.495 ( -14.195 2.242 7.499) 16.210 3.784 ( -3.073 -11.877 -3.728) 12.822 4.122 ( -5.986 -9.060 1.007) 10.905 4.339 ( -3.443 8.938 -13.004) 16.151 4.505 ( -7.313 1.180 -4.751) 8.800 4.842 ( 0.149 8.191 4.016) 9.124 4.925 ( 5.465 0.170 -5.144) 7.508 5.239 ( 4.461 8.640 7.872) 12.510 5.393 ( -2.300 2.196 -6.521) 7.255 5.579 ( -4.663 -8.925 -11.306) 15.140 5.884 ( -1.596 -15.192 0.357) 15.280 6.111 ( 4.702 0.052 3.316) 5.754 6.174 ( 12.460 -4.840 5.196) 14.341 6.837 ( 6.220 6.386 -0.640) 8.938 7.123 ( 2.779 7.508 -6.830) 10.523 7.298 ( -1.630 -6.361 -0.778) 6.612 7.425 ( -0.117 -7.095 -1.644) 7.284 7.604 ( 7.034 2.122 6.936) 10.104 7.755 ( 6.196 -2.159 6.593) 9.302 7.976 ( -0.019 6.839 -1.899) 7.098 8.173 ( 5.540 1.319 0.045) 5.695 8.354 ( 1.472 -4.778 -1.883) 5.342 8.468 ( 5.628 -4.435 -4.109) 8.260 8.909 ( 5.564 -3.166 7.559) 9.906 8.964 ( -2.699 -1.094 1.424) 3.242 9.210 ( 9.102 6.970 1.088) 11.516 9.430 ( -1.681 -0.363 5.314) 5.585 9.660 ( -0.855 -0.978 -5.480) 5.632 9.866 ( -4.111 0.910 0.741) 4.276 9.953 ( -3.690 -2.205 -4.569) 6.273 10.114 ( -6.305 -4.246 -5.249) 9.238 10.230 ( -2.269 2.601 -1.691) 3.844 10.368 ( -0.046 -0.244 -3.021) 3.031 10.594 ( -7.205 0.131 -1.087) 7.288 10.789 ( -3.014 -6.973 6.105) 9.745 11.288 ( -11.654 3.543 1.824) 12.316 11.552 ( -9.014 -8.968 2.337) 12.928 11.901 ( 11.038 5.759 4.724) 13.316 12.099 ( -1.052 -3.736 9.967) 10.696 12.390 ( 2.228 7.149 -1.726) 7.684 12.614 ( 10.254 -2.278 -5.610) 11.909 13.251 ( 2.712 4.015 -2.227) 5.332 13.362 ( 0.010 -1.793 0.263) 1.813 13.782 ( -1.070 7.207 -0.863) 7.337 13.867 ( -0.521 1.020 1.307) 1.738 14.005 ( -9.019 4.550 0.953) 10.147 14.049 ( 0.130 -0.541 -1.000) 1.144 14.538 ( -2.635 0.594 0.674) 2.784 14.692 ( 1.365 -2.812 -0.933) 3.262 14.810 ( -1.376 5.793 -0.839) 6.013 15.043 ( 2.287 -6.910 -2.745) 7.779 15.524 ( 8.965 5.260 1.215) 10.465 15.720 ( 4.477 -1.180 1.170) 4.776 16.431 ( 1.612 5.629 1.631) 6.078 16.920 ( -0.627 -16.400 -1.811) 16.512 22.408 ( -2.305 5.737 4.634) 7.727 22.591 ( 0.043 -0.706 0.260) 0.753 23.151 ( 8.967 7.316 -5.687) 12.895 23.430 ( 7.005 -5.401 -10.629) 13.828 23.994 ( 0.694 0.184 1.211) 1.408 24.004 ( 0.368 -0.029 -0.324) 0.491 24.178 ( 0.376 -0.461 1.819) 1.914 24.249 ( -1.357 -3.202 -0.942) 3.603 24.757 ( -8.925 10.223 -2.852) 13.868 25.072 ( -9.824 -3.197 -0.247) 10.334 25.222 ( 6.509 -0.188 4.301) 7.804 25.266 ( 0.906 -3.604 -0.394) 3.737 25.689 ( -8.059 2.276 -5.121) 9.816 25.777 ( -7.987 -1.226 -0.962) 8.137 26.282 ( 2.271 1.827 7.058) 7.636 26.472 ( 0.332 -5.850 3.212) 6.682 ======================= Grid point 187 (102/136) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( -0.914 -13.800 7.862) 15.909 1.809 ( -0.914 13.800 7.862) 15.909 2.473 ( -2.529 -10.700 8.973) 14.192 2.473 ( -2.529 10.700 8.973) 14.192 2.978 ( 3.684 -6.617 5.326) 9.259 2.978 ( 3.684 6.617 5.326) 9.259 3.291 ( -2.953 -12.343 -14.000) 18.896 3.291 ( -2.953 12.343 -14.000) 18.896 3.800 ( -2.793 -16.135 9.234) 18.799 3.800 ( -2.793 16.135 9.234) 18.799 4.356 ( -0.679 -3.971 -7.500) 8.514 4.356 ( -0.679 3.971 -7.500) 8.514 4.984 ( 4.373 -2.382 -0.221) 4.985 4.984 ( 4.373 2.382 -0.221) 4.985 5.232 ( -4.831 -3.953 -9.154) 11.080 5.232 ( -4.831 3.953 -9.154) 11.080 5.613 ( 0.953 -10.114 3.334) 10.692 5.613 ( 0.953 10.114 3.334) 10.692 6.324 ( 3.025 -7.151 8.613) 11.597 6.324 ( 3.025 7.151 8.613) 11.597 6.906 ( -9.456 -8.174 -7.196) 14.422 6.906 ( -9.456 8.174 -7.196) 14.422 7.320 ( 5.583 -5.933 -0.932) 8.200 7.320 ( 5.583 5.933 -0.932) 8.200 7.849 ( 2.737 -2.878 4.653) 6.118 7.849 ( 2.737 2.878 4.653) 6.118 8.091 ( 0.726 -4.905 -3.554) 6.101 8.091 ( 0.726 4.905 -3.554) 6.101 8.401 ( 1.764 -4.191 -1.169) 4.695 8.401 ( 1.764 4.191 -1.169) 4.695 8.935 ( -1.350 -1.740 2.002) 2.976 8.935 ( -1.350 1.740 2.002) 2.976 9.434 ( -2.029 -9.199 5.645) 10.982 9.434 ( -2.029 9.199 5.645) 10.982 9.751 ( 3.762 -6.235 -6.440) 9.721 9.751 ( 3.762 6.235 -6.440) 9.721 9.911 ( 2.349 -3.106 2.114) 4.431 9.911 ( 2.349 3.106 2.114) 4.431 10.262 ( 0.032 -2.903 -6.591) 7.202 10.262 ( 0.032 2.903 -6.591) 7.202 10.709 ( 3.496 -6.231 2.511) 7.573 10.709 ( 3.496 6.231 2.511) 7.573 11.231 ( -5.384 -4.663 0.245) 7.127 11.231 ( -5.384 4.663 0.245) 7.127 12.144 ( 0.415 -4.477 8.007) 9.183 12.144 ( 0.415 4.477 8.007) 9.183 12.549 ( 1.131 -7.224 -3.861) 8.269 12.549 ( 1.131 7.224 -3.861) 8.269 13.356 ( 1.439 -0.166 -1.053) 1.791 13.356 ( 1.439 0.166 -1.053) 1.791 13.841 ( -3.269 -3.161 2.414) 5.148 13.841 ( -3.269 3.161 2.414) 5.148 13.989 ( 1.656 -1.571 -2.039) 3.061 13.989 ( 1.656 1.571 -2.039) 3.061 14.608 ( -2.430 -5.596 4.320) 7.476 14.608 ( -2.430 5.596 4.320) 7.476 14.905 ( 1.376 -6.851 -4.886) 8.527 14.905 ( 1.376 6.851 -4.886) 8.527 15.754 ( 1.860 -3.242 3.021) 4.805 15.754 ( 1.860 3.242 3.021) 4.805 16.578 ( -2.990 -9.034 -1.911) 9.706 16.578 ( -2.990 9.034 -1.911) 9.706 22.538 ( -1.484 -5.167 3.986) 6.692 22.538 ( -1.484 5.167 3.986) 6.692 23.280 ( 0.443 -6.110 -9.104) 10.973 23.280 ( 0.443 6.110 -9.104) 10.973 23.996 ( -0.543 -0.455 0.172) 0.729 23.996 ( -0.543 0.455 0.172) 0.729 24.211 ( -0.499 -1.272 0.932) 1.653 24.211 ( -0.499 1.272 0.932) 1.653 24.812 ( -2.355 -4.913 -0.434) 5.465 24.812 ( -2.355 4.913 -0.434) 5.465 25.351 ( 4.875 -1.248 2.624) 5.675 25.351 ( 4.875 1.248 2.624) 5.675 25.612 ( -1.736 -1.711 -3.437) 4.214 25.612 ( -1.736 1.711 -3.437) 4.214 26.418 ( 0.426 -2.550 3.857) 4.643 26.418 ( 0.426 2.550 3.857) 4.643 ======================= Grid point 189 (103/136) ======================= q-point: ( 0.09 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 19.282 -2.952 9.389) 21.649 2.088 ( 19.282 2.952 9.389) 21.649 2.594 ( 7.308 -11.905 2.912) 14.270 2.594 ( 7.308 11.905 2.912) 14.270 3.135 ( 1.187 -15.609 -9.495) 18.309 3.135 ( 1.187 15.609 -9.495) 18.309 3.234 ( 17.289 -5.057 5.465) 18.824 3.234 ( 17.289 5.057 5.465) 18.824 3.891 ( 4.246 -12.475 7.167) 15.001 3.891 ( 4.246 12.475 7.167) 15.001 4.298 ( 2.193 -3.143 -6.201) 7.290 4.298 ( 2.193 3.143 -6.201) 7.290 5.057 ( 4.099 -4.459 -1.773) 6.311 5.057 ( 4.099 4.459 -1.773) 6.311 5.113 ( 0.164 -4.381 -2.856) 5.232 5.113 ( 0.164 4.381 -2.856) 5.232 5.660 ( 1.316 -2.137 1.165) 2.767 5.660 ( 1.316 2.137 1.165) 2.767 6.282 ( -14.684 -12.671 0.797) 19.412 6.282 ( -14.684 12.671 0.797) 19.412 6.762 ( -3.440 -6.043 5.112) 8.631 6.762 ( -3.440 6.043 5.112) 8.631 7.393 ( 5.526 -7.590 -5.296) 10.779 7.393 ( 5.526 7.590 -5.296) 10.779 7.804 ( -9.714 -1.351 -0.236) 9.811 7.804 ( -9.714 1.351 -0.236) 9.811 8.093 ( 3.110 -3.448 -1.488) 4.876 8.093 ( 3.110 3.448 -1.488) 4.876 8.420 ( -0.368 -0.925 -1.005) 1.415 8.420 ( -0.368 0.925 -1.005) 1.415 8.957 ( 2.746 -5.195 2.909) 6.556 8.957 ( 2.746 5.195 2.909) 6.556 9.383 ( -7.162 -11.656 2.622) 13.930 9.383 ( -7.162 11.656 2.622) 13.930 9.779 ( 5.894 -5.594 -7.305) 10.927 9.779 ( 5.894 5.594 -7.305) 10.927 9.968 ( 0.963 -1.304 -1.348) 2.108 9.968 ( 0.963 1.304 -1.348) 2.108 10.254 ( 5.250 -3.499 -1.893) 6.587 10.254 ( 5.250 3.499 -1.893) 6.587 10.750 ( 0.865 -3.652 -0.471) 3.783 10.750 ( 0.865 3.652 -0.471) 3.783 11.322 ( 12.364 -6.064 3.958) 14.328 11.322 ( 12.364 6.064 3.958) 14.328 12.165 ( -5.506 -7.707 5.173) 10.792 12.165 ( -5.506 7.707 5.173) 10.792 12.493 ( -2.874 -7.145 -3.558) 8.484 12.493 ( -2.874 7.145 -3.558) 8.484 13.323 ( -3.019 -3.650 -1.943) 5.120 13.323 ( -3.019 3.650 -1.943) 5.120 13.822 ( -1.220 -4.621 1.824) 5.115 13.822 ( -1.220 4.621 1.824) 5.115 14.074 ( 8.390 -6.285 0.148) 10.484 14.074 ( 8.390 6.285 0.148) 10.484 14.595 ( -3.637 -5.829 2.787) 7.415 14.595 ( -3.637 5.829 2.787) 7.415 14.880 ( 0.631 -7.103 -3.016) 7.743 14.880 ( 0.631 7.103 -3.016) 7.743 15.713 ( -8.148 -5.253 -0.069) 9.694 15.713 ( -8.148 5.253 -0.069) 9.694 16.539 ( -0.975 -6.462 1.473) 6.699 16.539 ( -0.975 6.462 1.473) 6.699 22.550 ( -1.618 -4.916 3.733) 6.381 22.550 ( -1.618 4.916 3.733) 6.381 23.162 ( -5.001 -5.294 -5.370) 9.048 23.162 ( -5.001 5.294 -5.370) 9.048 24.005 ( 0.579 -1.349 0.471) 1.541 24.005 ( 0.579 1.349 0.471) 1.541 24.187 ( -1.837 -0.864 0.739) 2.161 24.187 ( -1.837 0.864 0.739) 2.161 24.851 ( 4.978 -1.970 1.521) 5.566 24.851 ( 4.978 1.970 1.521) 5.566 25.365 ( -2.606 -1.643 -2.346) 3.872 25.365 ( -2.606 1.643 -2.346) 3.872 25.676 ( 10.373 -5.038 -0.653) 11.550 25.676 ( 10.373 5.038 -0.653) 11.550 26.440 ( -1.094 -1.422 1.702) 2.473 26.440 ( -1.094 1.422 1.702) 2.473 ======================= Grid point 191 (104/136) ======================= q-point: ( 0.18 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 7.612 -6.855 7.766) 12.855 2.452 ( 7.612 6.855 7.766) 12.855 2.719 ( 9.676 -16.934 -3.649) 19.842 2.719 ( 9.676 16.934 -3.649) 19.842 3.157 ( 6.850 -16.000 -0.982) 17.432 3.157 ( 6.850 16.000 -0.982) 17.432 3.610 ( 14.248 -3.123 6.487) 15.963 3.610 ( 14.248 3.123 6.487) 15.963 4.138 ( 19.367 -5.055 6.165) 20.943 4.138 ( 19.367 5.055 6.165) 20.943 4.349 ( 12.725 -2.846 -6.505) 14.572 4.349 ( 12.725 2.846 -6.505) 14.572 5.094 ( 7.244 -4.738 -4.503) 9.757 5.094 ( 7.244 4.738 -4.503) 9.757 5.188 ( 3.728 -6.955 3.416) 8.599 5.188 ( 3.728 6.955 3.416) 8.599 5.638 ( -4.399 -10.030 -1.958) 11.126 5.638 ( -4.399 10.030 -1.958) 11.126 5.994 ( -12.822 -2.912 -1.998) 13.300 5.994 ( -12.822 2.912 -1.998) 13.300 6.810 ( -3.458 -8.258 12.134) 15.080 6.810 ( -3.458 8.258 12.134) 15.080 7.334 ( -7.047 -11.882 -7.342) 15.644 7.334 ( -7.047 11.882 -7.342) 15.644 7.665 ( -1.586 -2.877 -1.241) 3.512 7.665 ( -1.586 2.877 -1.241) 3.512 8.139 ( 3.020 -4.834 0.255) 5.706 8.139 ( 3.020 4.834 0.255) 5.706 8.330 ( -6.520 -3.693 -4.237) 8.608 8.330 ( -6.520 3.693 -4.237) 8.608 9.026 ( -1.351 -6.888 -0.063) 7.020 9.026 ( -1.351 6.888 -0.063) 7.020 9.317 ( -0.103 -14.859 0.287) 14.862 9.317 ( -0.103 14.859 0.287) 14.862 9.745 ( -0.134 -5.261 -4.952) 7.226 9.745 ( -0.134 5.261 -4.952) 7.226 9.986 ( 3.036 -3.545 -1.116) 4.799 9.986 ( 3.036 3.545 -1.116) 4.799 10.381 ( 9.463 -5.611 0.596) 11.017 10.381 ( 9.463 5.611 0.596) 11.017 10.780 ( 2.627 -4.937 -0.063) 5.593 10.780 ( 2.627 4.937 -0.063) 5.593 11.594 ( 12.226 -3.817 1.854) 12.942 11.594 ( 12.226 3.817 1.854) 12.942 12.091 ( -6.457 -4.657 2.838) 8.452 12.091 ( -6.457 4.657 2.838) 8.452 12.407 ( -1.920 -3.079 -2.820) 4.595 12.407 ( -1.920 3.079 -2.820) 4.595 13.244 ( -3.487 -5.465 -1.500) 6.654 13.244 ( -3.487 5.465 -1.500) 6.654 13.833 ( 0.184 -6.799 1.879) 7.056 13.833 ( 0.184 6.799 1.879) 7.056 14.231 ( 7.514 -7.909 1.755) 11.050 14.231 ( 7.514 7.909 1.755) 11.050 14.524 ( -5.550 -5.612 -1.946) 8.129 14.524 ( -5.550 5.612 -1.946) 8.129 14.876 ( 0.035 -4.354 1.679) 4.666 14.876 ( 0.035 4.354 1.679) 4.666 15.532 ( -9.701 -9.541 -2.117) 13.770 15.532 ( -9.701 9.541 -2.117) 13.770 16.541 ( -2.475 -9.843 2.668) 10.494 16.541 ( -2.475 9.843 2.668) 10.494 22.559 ( -1.400 -4.484 3.294) 5.737 22.559 ( -1.400 4.484 3.294) 5.737 23.016 ( -7.417 -3.233 -2.158) 8.374 23.016 ( -7.417 3.233 -2.158) 8.374 23.985 ( -2.845 -1.100 -0.397) 3.077 23.985 ( -2.845 1.100 -0.397) 3.077 24.217 ( 4.264 -0.740 1.027) 4.448 24.217 ( 4.264 0.740 1.027) 4.448 24.974 ( 5.035 -7.583 4.216) 10.031 24.974 ( 5.035 7.583 4.216) 10.031 25.288 ( -1.122 -2.418 -4.642) 5.353 25.288 ( -1.122 2.418 -4.642) 5.353 25.872 ( 11.571 -4.774 0.257) 12.520 25.872 ( 11.571 4.774 0.257) 12.520 26.422 ( -1.361 -4.132 -0.590) 4.391 26.422 ( -1.361 4.132 -0.590) 4.391 ======================= Grid point 193 (105/136) ======================= q-point: ( 0.27 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 1.196 -14.563 -4.887) 15.407 2.498 ( 1.196 14.563 -4.887) 15.407 2.895 ( 2.887 -2.211 11.994) 12.533 2.895 ( 2.887 2.211 11.994) 12.533 3.278 ( 8.819 -14.631 -1.544) 17.153 3.278 ( 8.819 14.631 -1.544) 17.153 3.779 ( -0.449 -5.088 8.214) 9.673 3.779 ( -0.449 5.088 8.214) 9.673 4.494 ( 10.062 -9.380 1.000) 13.792 4.494 ( 10.062 9.380 1.000) 13.792 4.739 ( 38.011 -1.139 -1.044) 38.042 4.739 ( 38.011 1.139 -1.044) 38.042 5.073 ( -10.141 -15.972 -5.228) 19.628 5.073 ( -10.141 15.972 -5.228) 19.628 5.314 ( 11.324 -5.147 2.310) 12.651 5.314 ( 11.324 5.147 2.310) 12.651 5.583 ( 1.769 -8.370 -0.829) 8.595 5.583 ( 1.769 8.370 -0.829) 8.595 5.883 ( 2.877 -9.216 -2.182) 9.898 5.883 ( 2.877 9.216 -2.182) 9.898 6.845 ( -6.208 -11.160 9.091) 15.676 6.845 ( -6.208 11.160 9.091) 15.676 7.095 ( -10.826 -14.139 -2.228) 17.947 7.095 ( -10.826 14.139 -2.228) 17.947 7.691 ( 4.134 -3.217 -2.115) 5.649 7.691 ( 4.134 3.217 -2.115) 5.649 8.140 ( -6.516 -6.467 -7.190) 11.661 8.140 ( -6.516 6.467 -7.190) 11.661 8.220 ( 2.561 -4.586 4.314) 6.797 8.220 ( 2.561 4.586 4.314) 6.797 8.880 ( -9.699 -5.726 -5.477) 12.524 8.880 ( -9.699 5.726 -5.477) 12.524 9.344 ( 1.422 -16.714 -1.297) 16.824 9.344 ( 1.422 16.714 -1.297) 16.824 9.722 ( -0.078 -5.041 -1.589) 5.286 9.722 ( -0.078 5.041 -1.589) 5.286 10.067 ( 6.716 -6.068 1.355) 9.152 10.067 ( 6.716 6.068 1.355) 9.152 10.534 ( 5.978 -7.141 0.421) 9.323 10.534 ( 5.978 7.141 0.421) 9.323 10.826 ( 3.418 -7.902 -0.024) 8.610 10.826 ( 3.418 7.902 -0.024) 8.610 11.666 ( -4.155 -4.598 -2.045) 6.526 11.666 ( -4.155 4.598 -2.045) 6.526 12.047 ( 0.518 -6.676 -2.375) 7.105 12.047 ( 0.518 6.676 -2.375) 7.105 12.438 ( 7.589 -6.080 1.229) 9.802 12.438 ( 7.589 6.080 1.229) 9.802 13.191 ( -2.306 -4.499 1.501) 5.274 13.191 ( -2.306 4.499 1.501) 5.274 13.855 ( 0.210 -7.412 0.658) 7.444 13.855 ( 0.210 7.412 0.658) 7.444 14.313 ( -2.601 -4.216 -2.032) 5.354 14.313 ( -2.601 4.216 -2.032) 5.354 14.394 ( -4.071 -4.790 1.955) 6.583 14.394 ( -4.071 4.790 1.955) 6.583 14.921 ( 1.656 -1.942 3.806) 4.583 14.921 ( 1.656 1.942 3.806) 4.583 15.387 ( -4.295 -11.192 -2.125) 12.175 15.387 ( -4.295 11.192 -2.125) 12.175 16.487 ( -5.766 -11.301 0.433) 12.695 16.487 ( -5.766 11.301 0.433) 12.695 22.571 ( -0.815 -4.351 2.904) 5.294 22.571 ( -0.815 4.351 2.904) 5.294 22.872 ( -7.507 -2.054 -0.814) 7.826 22.872 ( -7.507 2.054 -0.814) 7.826 23.931 ( -2.488 -0.518 -0.060) 2.542 23.931 ( -2.488 0.518 -0.060) 2.542 24.314 ( 5.504 -1.228 0.218) 5.644 24.314 ( 5.504 1.228 0.218) 5.644 25.046 ( -2.005 -6.094 2.102) 6.751 25.046 ( -2.005 6.094 2.102) 6.751 25.281 ( 5.057 -0.906 -1.486) 5.348 25.281 ( 5.057 0.906 -1.486) 5.348 26.057 ( 8.980 -1.777 1.034) 9.212 26.057 ( 8.980 1.777 1.034) 9.212 26.395 ( 0.254 -6.423 -2.235) 6.806 26.395 ( 0.254 6.423 -2.235) 6.806 ======================= Grid point 195 (106/136) ======================= q-point: ( 0.36 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 2.561 -14.408 -1.500) 14.711 2.490 ( 2.561 14.408 -1.500) 14.711 3.017 ( -2.512 -10.521 13.032) 16.936 3.017 ( -2.512 10.521 13.032) 16.936 3.443 ( 10.832 -8.241 -0.368) 13.615 3.443 ( 10.832 8.241 -0.368) 13.615 3.810 ( -4.606 -6.435 6.313) 10.123 3.810 ( -4.606 6.435 6.313) 10.123 4.578 ( -2.541 -3.416 1.429) 4.491 4.578 ( -2.541 3.416 1.429) 4.491 4.848 ( -4.610 -9.897 -2.753) 11.260 4.848 ( -4.610 9.897 -2.753) 11.260 5.316 ( 24.431 -4.913 -2.023) 25.002 5.316 ( 24.431 4.913 -2.023) 25.002 5.491 ( 1.791 -3.712 -1.739) 4.473 5.491 ( 1.791 3.712 -1.739) 4.473 5.590 ( 6.009 -5.546 1.595) 8.332 5.590 ( 6.009 5.546 1.595) 8.332 6.085 ( 19.779 -3.581 -1.033) 20.127 6.085 ( 19.779 3.581 -1.033) 20.127 6.750 ( -5.417 -3.383 -3.275) 7.177 6.750 ( -5.417 3.383 -3.275) 7.177 7.019 ( -4.320 -9.668 9.920) 14.510 7.019 ( -4.320 9.668 9.920) 14.510 7.712 ( -0.020 -0.418 -1.994) 2.037 7.712 ( -0.020 0.418 -1.994) 2.037 7.989 ( -2.920 -5.333 -4.530) 7.582 7.989 ( -2.920 5.333 -4.530) 7.582 8.319 ( 0.653 -5.821 6.615) 8.836 8.319 ( 0.653 5.821 6.615) 8.836 8.646 ( -7.808 -4.887 -8.499) 12.533 8.646 ( -7.808 4.887 -8.499) 12.533 9.333 ( -1.233 -16.310 -0.471) 16.363 9.333 ( -1.233 16.310 -0.471) 16.363 9.690 ( 0.169 -7.820 -3.750) 8.674 9.690 ( 0.169 7.820 -3.750) 8.674 10.203 ( 6.535 -8.191 0.599) 10.496 10.203 ( 6.535 8.191 0.599) 10.496 10.575 ( -1.068 -5.773 0.877) 5.936 10.575 ( -1.068 5.773 0.877) 5.936 10.901 ( 4.914 -6.679 -0.542) 8.310 10.901 ( 4.914 6.679 -0.542) 8.310 11.513 ( -8.932 -5.654 -1.272) 10.648 11.513 ( -8.932 5.654 -1.272) 10.648 11.992 ( -0.090 -13.399 -10.695) 17.145 11.992 ( -0.090 13.399 -10.695) 17.145 12.656 ( 11.478 -9.553 6.318) 16.215 12.656 ( 11.478 9.553 6.318) 16.215 13.210 ( 1.323 -2.547 4.158) 5.052 13.210 ( 1.323 2.547 4.158) 5.052 13.810 ( -4.152 -5.212 -5.345) 8.542 13.810 ( -4.152 5.212 -5.345) 8.542 14.181 ( -7.138 -7.199 3.611) 10.762 14.181 ( -7.138 7.199 3.611) 10.762 14.425 ( 0.213 -5.916 4.289) 7.310 14.425 ( 0.213 5.916 4.289) 7.310 14.981 ( 1.285 -4.217 1.495) 4.655 14.981 ( 1.285 4.217 1.495) 4.655 15.348 ( 0.952 -10.027 0.003) 10.073 15.348 ( 0.952 10.027 0.003) 10.073 16.364 ( -6.725 -10.531 -2.692) 12.781 16.364 ( -6.725 10.531 -2.692) 12.781 22.589 ( -0.706 -5.811 2.936) 6.549 22.589 ( -0.706 5.811 2.936) 6.549 22.754 ( -5.049 -4.074 -0.731) 6.529 22.754 ( -5.049 4.074 -0.731) 6.529 23.910 ( -0.725 -0.439 1.258) 1.517 23.910 ( -0.725 0.439 1.258) 1.517 24.392 ( 3.817 -1.466 -1.136) 4.244 24.392 ( 3.817 1.466 -1.136) 4.244 24.977 ( -4.311 -0.947 -2.391) 5.020 24.977 ( -4.311 0.947 -2.391) 5.020 25.387 ( 4.909 -5.137 2.822) 7.645 25.387 ( 4.909 5.137 2.822) 7.645 26.189 ( 4.675 -2.145 1.880) 5.477 26.189 ( 4.675 2.145 1.880) 5.477 26.391 ( 2.249 -7.959 -3.051) 8.816 26.391 ( 2.249 7.959 -3.051) 8.816 ======================= Grid point 197 (107/136) ======================= q-point: ( 0.45 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( 1.068 -9.268 5.349) 10.754 2.551 ( 1.068 9.268 5.349) 10.754 3.108 ( 1.140 -10.794 9.539) 14.450 3.108 ( 1.140 10.794 9.539) 14.450 3.527 ( -4.970 -5.314 -2.216) 7.606 3.527 ( -4.970 5.314 -2.216) 7.606 3.800 ( 1.433 -8.350 5.784) 10.258 3.800 ( 1.433 8.350 5.784) 10.258 4.535 ( -0.326 -8.113 2.008) 8.364 4.535 ( -0.326 8.113 2.008) 8.364 4.853 ( 3.078 -10.868 -2.305) 11.529 4.853 ( 3.078 10.868 -2.305) 11.529 5.326 ( -7.990 -5.210 0.110) 9.540 5.326 ( -7.990 5.210 0.110) 9.540 5.558 ( 5.227 -6.420 -3.721) 9.076 5.558 ( 5.227 6.420 -3.721) 9.076 5.783 ( 9.327 -5.493 -0.669) 10.845 5.783 ( 9.327 5.493 -0.669) 10.845 6.395 ( 12.282 -2.231 0.641) 12.499 6.395 ( 12.282 2.231 0.641) 12.499 6.659 ( -2.467 -3.784 -3.660) 5.814 6.659 ( -2.467 3.784 -3.660) 5.814 7.097 ( 2.425 -9.261 9.668) 13.606 7.097 ( 2.425 9.261 9.668) 13.606 7.678 ( -2.118 -3.505 1.456) 4.347 7.678 ( -2.118 3.505 1.456) 4.347 7.904 ( -6.036 -3.537 -2.060) 7.293 7.904 ( -6.036 3.537 -2.060) 7.293 8.298 ( -7.643 -2.257 5.341) 9.594 8.298 ( -7.643 2.257 5.341) 9.594 8.554 ( 8.156 -2.392 -10.514) 13.520 8.554 ( 8.156 2.392 -10.514) 13.520 9.297 ( -0.852 -11.874 -3.157) 12.316 9.297 ( -0.852 11.874 -3.157) 12.316 9.685 ( 2.416 -8.370 -0.461) 8.724 9.685 ( 2.416 8.370 -0.461) 8.724 10.277 ( 0.250 -6.003 1.141) 6.116 10.277 ( 0.250 6.003 1.141) 6.116 10.543 ( 0.901 -2.891 -4.051) 5.058 10.543 ( 0.901 2.891 -4.051) 5.058 10.976 ( 3.707 -5.871 1.202) 7.046 10.976 ( 3.707 5.871 1.202) 7.046 11.375 ( -6.877 -6.102 -0.142) 9.195 11.375 ( -6.877 6.102 -0.142) 9.195 11.845 ( -3.537 -15.168 -10.676) 18.883 11.845 ( -3.537 15.168 -10.676) 18.883 12.896 ( 7.841 -7.594 6.588) 12.750 12.896 ( 7.841 7.594 6.588) 12.750 13.296 ( 2.221 -1.981 4.056) 5.030 13.296 ( 2.221 1.981 4.056) 5.030 13.639 ( -5.244 -3.093 -7.420) 9.598 13.639 ( -5.244 3.093 -7.420) 9.598 14.164 ( -2.950 -4.970 7.710) 9.636 14.164 ( -2.950 4.970 7.710) 9.636 14.481 ( 1.478 -3.464 4.512) 5.877 14.481 ( 1.478 3.464 4.512) 5.877 14.977 ( -0.699 -3.470 -3.015) 4.649 14.977 ( -0.699 3.470 -3.015) 4.649 15.408 ( 3.127 -5.733 3.657) 7.485 15.408 ( 3.127 5.733 3.657) 7.485 16.225 ( -4.453 -8.838 -4.820) 11.008 16.225 ( -4.453 8.838 -4.820) 11.008 22.585 ( -4.023 -7.186 3.489) 8.944 22.585 ( -4.023 7.186 3.489) 8.944 22.711 ( 1.928 -4.152 -1.435) 4.798 22.711 ( 1.928 4.152 -1.435) 4.798 23.928 ( 0.639 -0.397 2.151) 2.279 23.928 ( 0.639 0.397 2.151) 2.279 24.415 ( 0.630 -1.817 -1.974) 2.755 24.415 ( 0.630 1.817 -1.974) 2.755 24.885 ( -2.499 -3.233 -3.132) 5.148 24.885 ( -2.499 3.233 -3.132) 5.148 25.479 ( 2.165 -4.740 3.107) 6.067 25.479 ( 2.165 4.740 3.107) 6.067 26.254 ( 0.636 -3.557 2.209) 4.235 26.254 ( 0.636 3.557 2.209) 4.235 26.400 ( 2.079 -8.403 -3.188) 9.225 26.400 ( 2.079 8.403 -3.188) 9.225 ======================= Grid point 199 (108/136) ======================= q-point: (-0.45 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( -6.929 -10.317 6.336) 13.950 2.571 ( -6.929 10.317 6.336) 13.950 3.245 ( 0.190 -2.524 -0.477) 2.576 3.245 ( 0.190 2.524 -0.477) 2.576 3.335 ( -6.880 -6.660 7.847) 12.380 3.335 ( -6.880 6.660 7.847) 12.380 3.941 ( 6.228 -7.906 3.903) 10.795 3.941 ( 6.228 7.906 3.903) 10.795 4.595 ( 2.878 -1.119 1.288) 3.346 4.595 ( 2.878 1.119 1.288) 3.346 4.803 ( -2.178 -3.890 -8.236) 9.366 4.803 ( -2.178 3.890 -8.236) 9.366 5.285 ( -1.262 -3.040 7.593) 8.275 5.285 ( -1.262 3.040 7.593) 8.275 5.567 ( 1.667 -4.471 -4.032) 6.248 5.567 ( 1.667 4.471 -4.032) 6.248 5.851 ( 2.373 -5.563 -5.190) 7.969 5.851 ( 2.373 5.563 -5.190) 7.969 6.405 ( -12.742 -2.553 1.253) 13.055 6.405 ( -12.742 2.553 1.253) 13.055 6.547 ( -7.281 -5.163 -0.597) 8.946 6.547 ( -7.281 5.163 -0.597) 8.946 7.247 ( 1.705 -8.560 7.154) 11.285 7.247 ( 1.705 8.560 7.154) 11.285 7.681 ( -1.717 -5.908 3.671) 7.165 7.681 ( -1.717 5.908 3.671) 7.165 7.784 ( -0.572 -2.261 -2.591) 3.486 7.784 ( -0.572 2.261 -2.591) 3.486 8.278 ( -0.799 -3.694 3.277) 5.002 8.278 ( -0.799 3.694 3.277) 5.002 8.627 ( 12.002 -4.356 -9.553) 15.946 8.627 ( 12.002 4.356 -9.553) 15.946 9.248 ( 0.596 -6.120 -5.528) 8.269 9.248 ( 0.596 6.120 -5.528) 8.269 9.756 ( 4.017 -9.482 2.253) 10.542 9.756 ( 4.017 9.482 2.253) 10.542 10.214 ( -7.451 -4.283 1.567) 8.736 10.214 ( -7.451 4.283 1.567) 8.736 10.595 ( 10.455 -4.522 -6.978) 13.359 10.595 ( 10.455 4.522 -6.978) 13.359 11.034 ( -0.668 -5.537 3.101) 6.381 11.034 ( -0.668 5.537 3.101) 6.381 11.267 ( -3.954 -1.807 -0.508) 4.377 11.267 ( -3.954 1.807 -0.508) 4.377 11.695 ( -4.682 -8.991 -4.179) 10.964 11.695 ( -4.682 8.991 -4.179) 10.964 13.010 ( -1.782 -2.974 1.800) 3.906 13.010 ( -1.782 2.974 1.800) 3.906 13.304 ( -3.863 -4.806 4.259) 7.494 13.304 ( -3.863 4.806 4.259) 7.494 13.582 ( 5.731 -5.685 -5.560) 9.802 13.582 ( 5.731 5.685 -5.560) 9.802 14.204 ( -1.289 -1.473 6.820) 7.095 14.204 ( -1.289 1.473 6.820) 7.095 14.561 ( 2.129 -1.673 4.508) 5.259 14.561 ( 2.129 1.673 4.508) 5.259 14.916 ( -0.820 -2.833 -5.320) 6.083 14.916 ( -0.820 2.833 -5.320) 6.083 15.493 ( 1.510 -2.045 3.688) 4.480 15.493 ( 1.510 2.045 3.688) 4.480 16.144 ( 0.897 -6.597 -3.780) 7.656 16.144 ( 0.897 6.597 -3.780) 7.656 22.540 ( -4.427 -5.688 3.176) 7.876 22.540 ( -4.427 5.688 3.176) 7.876 22.773 ( 6.354 -5.338 -1.532) 8.439 22.773 ( 6.354 5.338 -1.532) 8.439 23.962 ( 0.782 -0.131 1.383) 1.594 23.962 ( 0.782 0.131 1.383) 1.594 24.381 ( -2.245 -0.378 -1.168) 2.558 24.381 ( -2.245 0.378 -1.168) 2.558 24.843 ( 0.570 -1.554 -1.872) 2.499 24.843 ( 0.570 1.554 -1.872) 2.499 25.520 ( -0.339 -2.499 1.857) 3.132 25.520 ( -0.339 2.499 1.857) 3.132 26.262 ( -2.174 -3.941 2.301) 5.055 26.262 ( -2.174 3.941 2.301) 5.055 26.386 ( -0.300 -8.976 -3.148) 9.517 26.386 ( -0.300 8.976 -3.148) 9.517 ======================= Grid point 201 (109/136) ======================= q-point: (-0.36 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( -11.755 -12.580 1.056) 17.250 2.439 ( -11.755 12.580 1.056) 17.250 3.051 ( -15.640 -7.520 7.293) 18.824 3.051 ( -15.640 7.520 7.293) 18.824 3.521 ( 9.863 -2.021 1.656) 10.203 3.521 ( 9.863 2.021 1.656) 10.203 4.054 ( 2.397 -7.520 3.738) 8.733 4.054 ( 2.397 7.520 3.738) 8.733 4.570 ( -7.511 -8.615 -3.500) 11.953 4.570 ( -7.511 8.615 -3.500) 11.953 4.716 ( 0.898 -7.248 -1.399) 7.436 4.716 ( 0.898 7.248 -1.399) 7.436 5.321 ( -3.029 -3.820 -1.608) 5.133 5.321 ( -3.029 3.820 -1.608) 5.133 5.532 ( -4.825 -6.766 0.967) 8.367 5.532 ( -4.825 6.766 0.967) 8.367 5.763 ( -6.333 -3.128 -5.678) 9.062 5.763 ( -6.333 3.128 -5.678) 9.062 6.113 ( -15.095 -6.543 -1.583) 16.528 6.113 ( -15.095 6.543 -1.583) 16.528 6.451 ( -4.715 -6.609 7.061) 10.760 6.451 ( -4.715 6.609 7.061) 10.760 7.296 ( 1.271 -7.907 1.588) 8.165 7.296 ( 1.271 7.907 1.588) 8.165 7.706 ( 1.511 -2.242 2.475) 3.665 7.706 ( 1.511 2.242 2.475) 3.665 7.789 ( 0.982 -3.513 -2.660) 4.514 7.789 ( 0.982 3.513 -2.660) 4.514 8.297 ( -0.003 -6.096 0.756) 6.143 8.297 ( -0.003 6.096 0.756) 6.143 8.768 ( 11.445 -5.324 -4.950) 13.559 8.768 ( 11.445 5.324 -4.950) 13.559 9.230 ( 3.357 -3.051 -3.523) 5.744 9.230 ( 3.357 3.051 -3.523) 5.744 9.846 ( 6.385 -9.506 -2.556) 11.733 9.846 ( 6.385 9.506 -2.556) 11.733 10.117 ( -4.951 -2.804 1.561) 5.900 10.117 ( -4.951 2.804 1.561) 5.900 10.637 ( -2.179 -5.987 -2.924) 7.010 10.637 ( -2.179 5.987 -2.924) 7.010 11.034 ( 1.375 -4.110 -3.356) 5.482 11.034 ( 1.375 4.110 -3.356) 5.482 11.261 ( -0.588 -1.660 6.609) 6.839 11.261 ( -0.588 1.660 6.609) 6.839 11.630 ( -0.077 -4.986 1.413) 5.183 11.630 ( -0.077 4.986 1.413) 5.183 12.856 ( -13.744 -4.058 -0.944) 14.362 12.856 ( -13.744 4.058 -0.944) 14.362 13.331 ( 1.763 -2.948 0.848) 3.538 13.331 ( 1.763 2.948 0.848) 3.538 13.656 ( 6.991 -6.808 -2.028) 9.966 13.656 ( 6.991 6.808 -2.028) 9.966 14.241 ( -1.632 -7.506 4.802) 9.059 14.241 ( -1.632 7.506 4.802) 9.059 14.619 ( 0.450 -1.603 1.391) 2.169 14.619 ( 0.450 1.603 1.391) 2.169 14.869 ( 0.900 -0.671 -3.180) 3.373 14.869 ( 0.900 0.671 -3.180) 3.373 15.516 ( 0.029 -1.132 -1.016) 1.521 15.516 ( 0.029 1.132 -1.016) 1.521 16.198 ( 6.718 -3.644 1.269) 7.747 16.198 ( 6.718 3.644 1.269) 7.747 22.507 ( -3.165 -5.117 3.286) 6.855 22.507 ( -3.165 5.117 3.286) 6.855 22.886 ( 9.143 -8.501 -2.377) 12.708 22.886 ( 9.143 8.501 -2.377) 12.708 23.972 ( -0.030 -0.368 -0.629) 0.730 23.972 ( -0.030 0.368 -0.629) 0.730 24.331 ( -3.144 -2.106 0.764) 3.860 24.331 ( -3.144 2.106 0.764) 3.860 24.865 ( 2.606 -1.676 0.656) 3.167 24.865 ( 2.606 1.676 0.656) 3.167 25.503 ( -2.632 -0.631 -0.329) 2.726 25.503 ( -2.632 0.631 -0.329) 2.726 26.231 ( -4.197 -3.969 2.137) 6.159 26.231 ( -4.197 3.969 2.137) 6.159 26.325 ( -3.049 -8.973 -2.793) 9.880 26.325 ( -3.049 8.973 -2.793) 9.880 ======================= Grid point 203 (110/136) ======================= q-point: (-0.27 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( -11.733 -11.416 0.841) 16.392 2.238 ( -11.733 11.416 0.841) 16.392 2.893 ( -14.427 -3.749 11.987) 19.128 2.893 ( -14.427 3.749 11.987) 19.128 3.598 ( 2.412 -3.021 -8.215) 9.080 3.598 ( 2.412 3.021 -8.215) 9.080 4.069 ( -8.800 -7.219 2.914) 11.749 4.069 ( -8.800 7.219 2.914) 11.749 4.255 ( -22.751 -11.852 -1.089) 25.677 4.255 ( -22.751 11.852 -1.089) 25.677 4.783 ( -0.188 -6.187 4.344) 7.562 4.783 ( -0.188 6.187 4.344) 7.562 5.103 ( -8.247 -10.726 -7.451) 15.446 5.103 ( -8.247 10.726 -7.451) 15.446 5.412 ( -13.393 -3.155 -1.904) 13.890 5.412 ( -13.393 3.155 -1.904) 13.890 5.599 ( -1.579 -3.599 1.167) 4.099 5.599 ( -1.579 3.599 1.167) 4.099 5.964 ( -0.300 -1.056 -6.808) 6.896 5.964 ( -0.300 1.056 -6.808) 6.896 6.595 ( 9.107 -13.074 11.850) 19.857 6.595 ( 9.107 13.074 11.850) 19.857 7.334 ( 3.638 -2.845 -4.027) 6.128 7.334 ( 3.638 2.845 -4.027) 6.128 7.698 ( -3.882 -3.986 -1.306) 5.715 7.698 ( -3.882 3.986 -1.306) 5.715 7.847 ( 8.321 -4.310 1.727) 9.529 7.847 ( 8.321 4.310 1.727) 9.529 8.286 ( -1.303 -6.710 0.050) 6.836 8.286 ( -1.303 6.710 0.050) 6.836 8.863 ( 3.618 -6.162 -1.717) 7.349 8.863 ( 3.618 6.162 -1.717) 7.349 9.280 ( 4.240 -3.926 -2.254) 6.202 9.280 ( 4.240 3.926 -2.254) 6.202 9.893 ( 5.102 -10.483 -10.368) 15.602 9.893 ( 5.102 10.483 -10.368) 15.602 10.091 ( -1.165 -4.063 4.295) 6.025 10.091 ( -1.165 4.063 4.295) 6.025 10.541 ( -5.442 -7.505 1.566) 9.402 10.541 ( -5.442 7.505 1.566) 9.402 10.908 ( -10.676 -10.611 -4.610) 15.742 10.908 ( -10.676 10.611 -4.610) 15.742 11.395 ( 4.799 -3.801 8.396) 10.391 11.395 ( 4.799 3.801 8.396) 10.391 11.716 ( 5.012 -7.913 4.823) 10.535 11.716 ( 5.012 7.913 4.823) 10.535 12.605 ( -11.764 -4.296 -2.292) 12.732 12.605 ( -11.764 4.296 -2.292) 12.732 13.336 ( 0.535 -3.256 -3.177) 4.580 13.336 ( 0.535 3.256 -3.177) 4.580 13.771 ( 5.932 -6.035 1.551) 8.603 13.771 ( 5.932 6.035 1.551) 8.603 14.233 ( -4.140 -10.553 3.161) 11.769 14.233 ( -4.140 10.553 3.161) 11.769 14.609 ( -0.128 -4.807 -2.377) 5.364 14.609 ( -0.128 4.807 -2.377) 5.364 14.880 ( 1.375 -3.739 0.501) 4.015 14.880 ( 1.375 3.739 0.501) 4.015 15.502 ( 2.311 -4.559 -4.349) 6.711 15.502 ( 2.311 4.559 -4.349) 6.711 16.369 ( 8.854 -6.842 4.401) 12.024 16.369 ( 8.854 6.842 4.401) 12.024 22.498 ( -2.029 -5.119 3.611) 6.585 22.498 ( -2.029 5.119 3.611) 6.585 23.034 ( 11.734 -10.459 -3.959) 16.210 23.034 ( 11.734 10.459 -3.959) 16.210 23.959 ( 0.076 -0.371 -1.116) 1.179 23.959 ( 0.076 0.371 -1.116) 1.179 24.285 ( -3.641 -3.073 1.147) 4.901 24.285 ( -3.641 3.073 1.147) 4.901 24.939 ( 3.193 -2.857 3.578) 5.582 24.939 ( 3.193 2.857 3.578) 5.582 25.419 ( -5.091 -4.495 -3.452) 7.618 25.419 ( -5.091 4.495 -3.452) 7.618 26.127 ( -9.000 -4.183 -1.289) 10.008 26.127 ( -9.000 4.183 -1.289) 10.008 26.271 ( -1.500 -4.980 1.386) 5.383 26.271 ( -1.500 4.980 1.386) 5.383 ======================= Grid point 205 (111/136) ======================= q-point: (-0.18 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( -11.423 -15.803 5.327) 20.214 2.073 ( -11.423 15.803 5.327) 20.214 2.770 ( -16.833 -9.515 13.857) 23.788 2.770 ( -16.833 9.515 13.857) 23.788 3.390 ( -17.295 -3.377 -12.340) 21.513 3.390 ( -17.295 3.377 -12.340) 21.513 3.713 ( -18.208 -6.029 -0.016) 19.181 3.713 ( -18.208 6.029 -0.016) 19.181 4.004 ( -14.784 -16.067 3.464) 22.107 4.004 ( -14.784 16.067 3.464) 22.107 4.668 ( -8.001 -3.259 -6.544) 10.837 4.668 ( -8.001 3.259 -6.544) 10.837 4.962 ( -6.076 -4.405 -0.884) 7.556 4.962 ( -6.076 4.405 -0.884) 7.556 5.354 ( 7.024 -16.339 1.397) 17.840 5.354 ( 7.024 16.339 1.397) 17.840 5.606 ( -1.369 -7.174 -1.301) 7.418 5.606 ( -1.369 7.174 -1.301) 7.418 5.941 ( 5.914 -2.461 -3.398) 7.251 5.941 ( 5.914 2.461 -3.398) 7.251 6.900 ( 11.465 -14.398 8.880) 20.435 6.900 ( 11.465 14.398 8.880) 20.435 7.330 ( 1.994 -3.067 -6.395) 7.367 7.330 ( 1.994 3.067 -6.395) 7.367 7.622 ( -2.062 -4.857 -0.251) 5.283 7.622 ( -2.062 4.857 -0.251) 5.283 8.035 ( 8.191 -5.569 1.956) 10.096 8.035 ( 8.191 5.569 1.956) 10.096 8.286 ( 3.173 -6.225 -0.471) 7.003 8.286 ( 3.173 6.225 -0.471) 7.003 8.883 ( -0.893 -6.566 2.369) 7.037 8.883 ( -0.893 6.566 2.369) 7.037 9.305 ( 1.669 -7.460 -1.031) 7.713 9.305 ( 1.669 7.460 -1.031) 7.713 9.828 ( -0.677 -8.224 -7.512) 11.159 9.828 ( -0.677 8.224 -7.512) 11.159 10.107 ( -0.543 -6.595 -2.393) 7.037 10.107 ( -0.543 6.595 -2.393) 7.037 10.464 ( -6.691 -8.188 -1.294) 10.653 10.464 ( -6.691 8.188 -1.294) 10.653 10.693 ( -8.160 -6.199 1.046) 10.300 10.693 ( -8.160 6.199 1.046) 10.300 11.494 ( -3.734 -5.850 6.457) 9.480 11.494 ( -3.734 5.850 6.457) 9.480 11.855 ( 4.206 -8.687 6.828) 11.823 11.855 ( 4.206 8.687 6.828) 11.823 12.476 ( 0.598 -1.725 -2.798) 3.341 12.476 ( 0.598 1.725 -2.798) 3.341 13.311 ( 1.106 -3.270 -3.401) 4.846 13.311 ( 1.106 3.270 -3.401) 4.846 13.856 ( 1.850 -4.310 1.329) 4.875 13.856 ( 1.850 4.310 1.329) 4.875 14.164 ( -7.119 -6.771 2.547) 10.150 14.164 ( -7.119 6.771 2.547) 10.150 14.591 ( 0.780 -4.541 -1.697) 4.910 14.591 ( 0.780 4.541 -1.697) 4.910 14.909 ( 1.400 -4.859 0.090) 5.057 14.909 ( 1.400 4.859 0.090) 5.057 15.531 ( 5.775 -6.410 -2.970) 9.125 15.531 ( 5.775 6.410 -2.970) 9.125 16.548 ( 6.624 -11.642 3.020) 13.730 16.548 ( 6.624 11.642 3.020) 13.730 22.507 ( -1.452 -5.242 3.858) 6.669 22.507 ( -1.452 5.242 3.858) 6.669 23.196 ( 12.691 -9.709 -6.586) 17.283 23.196 ( 12.691 9.709 -6.586) 17.283 23.966 ( 1.510 -0.440 0.182) 1.583 23.966 ( 1.510 0.440 0.182) 1.583 24.229 ( -3.485 -2.960 0.372) 4.587 24.229 ( -3.485 2.960 0.372) 4.587 25.026 ( 0.541 -3.556 5.103) 6.243 25.026 ( 0.541 3.556 5.103) 6.243 25.265 ( -6.159 -6.979 -6.088) 11.122 25.265 ( -6.159 6.979 -6.088) 11.122 25.930 ( -10.971 -2.256 -2.099) 11.396 25.930 ( -10.971 2.256 -2.099) 11.396 26.292 ( 0.559 -6.141 3.933) 7.314 26.292 ( 0.559 6.141 3.933) 7.314 ======================= Grid point 207 (112/136) ======================= q-point: (-0.09 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( -15.611 -18.685 8.355) 25.741 1.919 ( -15.611 18.685 8.355) 25.741 2.559 ( -19.071 -11.693 10.635) 24.770 2.559 ( -19.071 11.693 10.635) 24.770 3.018 ( -11.575 -6.425 -1.008) 13.277 3.018 ( -11.575 6.425 -1.008) 13.277 3.493 ( -6.171 -12.318 -9.595) 16.789 3.493 ( -6.171 12.318 -9.595) 16.789 3.820 ( -10.539 -19.135 7.464) 23.085 3.820 ( -10.539 19.135 7.464) 23.085 4.477 ( -3.891 -4.334 -9.259) 10.939 4.477 ( -3.891 4.334 -9.259) 10.939 4.928 ( 1.597 -0.866 0.162) 1.823 4.928 ( 1.597 0.866 0.162) 1.823 5.403 ( -1.530 -6.127 -9.124) 11.096 5.403 ( -1.530 6.127 -9.124) 11.096 5.565 ( -0.420 -13.837 3.644) 14.315 5.565 ( -0.420 13.837 3.644) 14.315 6.115 ( 10.838 -0.911 5.268) 12.085 6.115 ( 10.838 0.911 5.268) 12.085 7.067 ( 0.030 -14.344 -0.390) 14.349 7.067 ( 0.030 14.344 -0.390) 14.349 7.273 ( 0.755 -7.362 -4.762) 8.800 7.273 ( 0.755 7.362 -4.762) 8.800 7.694 ( 7.032 -4.748 4.704) 9.702 7.694 ( 7.032 4.748 4.704) 9.702 8.100 ( 0.727 -6.218 -0.792) 6.310 8.100 ( 0.727 6.218 -0.792) 6.310 8.376 ( 5.879 -4.562 -3.223) 8.109 8.376 ( 5.879 4.562 -3.223) 8.109 8.908 ( -0.850 -2.713 6.042) 6.677 8.908 ( -0.850 2.713 6.042) 6.677 9.361 ( 3.642 -7.154 3.064) 8.593 9.361 ( 3.642 7.154 3.064) 8.593 9.752 ( 0.077 -8.938 -4.543) 10.026 9.752 ( 0.077 8.938 -4.543) 10.026 9.992 ( -6.719 -5.679 -5.111) 10.174 9.992 ( -6.719 5.679 -5.111) 10.174 10.336 ( -3.522 -4.057 -2.827) 6.071 10.336 ( -3.522 4.057 -2.827) 6.071 10.650 ( -0.658 -5.716 2.313) 6.202 10.650 ( -0.658 5.716 2.313) 6.202 11.393 ( -11.134 -6.831 1.611) 13.161 11.393 ( -11.134 6.831 1.611) 13.161 12.010 ( 4.301 -5.132 8.966) 11.191 12.010 ( 4.301 5.132 8.966) 11.191 12.522 ( 5.682 -6.086 -3.181) 8.913 12.522 ( 5.682 6.086 -3.181) 8.913 13.320 ( 3.081 -2.694 -1.843) 4.488 13.320 ( 3.081 2.694 -1.843) 4.488 13.867 ( -1.458 -1.440 1.051) 2.303 13.867 ( -1.458 1.440 1.051) 2.303 14.053 ( -6.661 -0.702 0.213) 6.701 14.053 ( -6.661 0.702 0.213) 6.701 14.599 ( -0.363 -5.116 1.927) 5.479 14.599 ( -0.363 5.116 1.927) 5.479 14.921 ( 1.595 -5.412 -3.060) 6.418 14.921 ( 1.595 5.412 -3.060) 6.418 15.639 ( 7.125 -5.775 1.341) 9.269 15.639 ( 7.125 5.775 1.341) 9.269 16.625 ( 0.678 -12.921 -0.724) 12.959 16.625 ( 0.678 12.921 -0.724) 12.959 22.522 ( -1.355 -5.232 3.980) 6.712 22.522 ( -1.355 5.232 3.980) 6.712 23.302 ( 8.255 -7.284 -9.478) 14.527 23.302 ( 8.255 7.284 -9.478) 14.527 24.000 ( 0.749 -0.323 0.607) 1.016 24.000 ( 0.749 0.323 0.607) 1.016 24.195 ( -0.172 -1.984 0.354) 2.022 24.195 ( -0.172 1.984 0.354) 2.022 24.946 ( -10.322 -8.456 -1.299) 13.407 24.946 ( -10.322 8.456 -1.299) 13.407 25.230 ( 4.748 -0.908 1.553) 5.078 25.230 ( 4.748 0.908 1.553) 5.078 25.738 ( -8.312 -2.481 -2.462) 9.017 25.738 ( -8.312 2.481 -2.462) 9.017 26.356 ( 1.371 -5.251 4.784) 7.235 26.356 ( 1.371 5.251 4.784) 7.235 ======================= Grid point 231 (113/136) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( -17.089 0.000 -24.082) 29.529 1.775 ( 17.089 0.000 24.082) 29.529 2.056 ( 4.276 0.000 -27.942) 28.267 2.056 ( -4.276 0.000 27.942) 28.267 2.917 ( -1.097 0.000 -25.745) 25.769 2.917 ( 1.097 0.000 25.745) 25.769 3.406 ( -12.699 0.000 2.504) 12.943 3.406 ( 12.699 0.000 -2.504) 12.943 3.914 ( -5.233 0.000 -0.098) 5.234 3.914 ( 5.233 0.000 0.098) 5.234 4.138 ( 1.040 0.000 -6.575) 6.656 4.138 ( -1.040 0.000 6.575) 6.656 4.894 ( 1.837 0.000 -9.747) 9.919 4.894 ( -1.837 0.000 9.747) 9.919 5.372 ( -10.085 0.000 -12.122) 15.769 5.372 ( 10.085 0.000 12.122) 15.769 5.753 ( -13.390 0.000 -12.919) 18.606 5.753 ( 13.390 0.000 12.919) 18.606 6.044 ( 5.130 0.000 -2.230) 5.594 6.044 ( -5.130 0.000 2.230) 5.594 7.145 ( -22.813 0.000 5.861) 23.554 7.145 ( 22.813 0.000 -5.861) 23.554 7.294 ( 1.841 0.000 -4.739) 5.084 7.294 ( -1.841 0.000 4.739) 5.084 8.015 ( -6.493 0.000 -0.966) 6.564 8.015 ( 6.493 0.000 0.966) 6.564 8.161 ( -3.962 0.000 -9.846) 10.613 8.161 ( 3.962 0.000 9.846) 10.613 8.411 ( -11.656 0.000 -17.221) 20.795 8.411 ( 11.656 0.000 17.221) 20.795 9.042 ( -11.499 0.000 -7.427) 13.689 9.042 ( 11.499 0.000 7.427) 13.689 9.189 ( -11.641 0.000 -0.785) 11.667 9.189 ( 11.641 0.000 0.785) 11.667 9.683 ( -14.979 0.000 -1.750) 15.081 9.683 ( 14.979 0.000 1.750) 15.081 10.139 ( -1.149 0.000 -7.563) 7.650 10.139 ( 1.149 0.000 7.563) 7.650 10.510 ( 6.682 0.000 -4.791) 8.222 10.510 ( -6.682 0.000 4.791) 8.222 10.650 ( -26.178 0.000 6.833) 27.055 10.650 ( 26.178 0.000 -6.833) 27.055 11.592 ( -20.969 0.000 -5.318) 21.633 11.592 ( 20.969 0.000 5.318) 21.633 11.947 ( -7.992 0.000 -2.758) 8.455 11.947 ( 7.992 0.000 2.758) 8.455 12.469 ( -0.793 0.000 -7.294) 7.337 12.469 ( 0.793 0.000 7.294) 7.337 13.156 ( 2.918 0.000 -6.473) 7.100 13.156 ( -2.918 0.000 6.473) 7.100 13.720 ( -4.989 0.000 -2.670) 5.659 13.720 ( 4.989 0.000 2.670) 5.659 14.063 ( 4.726 0.000 -6.518) 8.052 14.063 ( -4.726 0.000 6.518) 8.052 14.346 ( -4.016 0.000 0.502) 4.048 14.346 ( 4.016 0.000 -0.502) 4.048 15.046 ( 4.628 0.000 -11.069) 11.998 15.046 ( -4.628 0.000 11.069) 11.998 15.645 ( -12.103 0.000 3.020) 12.475 15.645 ( 12.103 0.000 -3.020) 12.475 16.808 ( -14.760 0.000 -11.133) 18.487 16.808 ( 14.760 0.000 11.133) 18.487 22.332 ( 3.979 0.000 -4.019) 5.655 22.332 ( -3.979 0.000 4.019) 5.655 23.259 ( 2.572 0.000 -9.887) 10.217 23.259 ( -2.572 0.000 9.887) 10.217 23.983 ( -2.554 0.000 0.673) 2.641 23.983 ( 2.554 0.000 -0.673) 2.641 24.257 ( -0.826 0.000 -1.527) 1.736 24.257 ( 0.826 0.000 1.527) 1.736 24.668 ( -9.246 0.000 -9.139) 13.000 24.668 ( 9.246 0.000 9.139) 13.000 25.361 ( -3.289 0.000 -2.118) 3.912 25.361 ( 3.289 0.000 2.118) 3.912 25.638 ( -9.242 0.000 -0.521) 9.257 25.638 ( 9.242 0.000 0.521) 9.257 26.596 ( -6.187 0.000 -0.915) 6.254 26.596 ( 6.187 0.000 0.915) 6.254 ======================= Grid point 233 (114/136) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 5.476 0.000 -28.261) 28.787 1.910 ( 13.063 0.000 -27.641) 30.572 2.336 ( 4.885 0.000 24.952) 25.426 2.460 ( 32.582 0.000 18.142) 37.292 2.780 ( 19.518 0.000 -28.723) 34.727 3.266 ( 13.434 0.000 16.223) 21.063 3.367 ( 3.655 0.000 4.498) 5.795 3.750 ( 27.080 0.000 0.444) 27.084 3.842 ( -2.162 0.000 0.577) 2.237 4.007 ( 5.249 0.000 1.277) 5.402 4.169 ( 5.809 0.000 0.073) 5.809 4.259 ( 3.088 0.000 12.917) 13.281 4.765 ( -6.380 0.000 -9.876) 11.758 4.925 ( -4.537 0.000 8.949) 10.033 5.077 ( -9.834 0.000 -12.574) 15.963 5.468 ( -4.211 0.000 -9.447) 10.343 5.685 ( 12.378 0.000 10.712) 16.369 5.983 ( -6.970 0.000 8.441) 10.947 6.085 ( -0.685 0.000 -0.001) 0.685 6.087 ( 12.192 0.000 6.010) 13.593 6.839 ( -19.267 0.000 8.217) 20.947 7.209 ( -6.781 0.000 -7.721) 10.276 7.252 ( -9.731 0.000 4.148) 10.578 7.423 ( 12.663 0.000 -3.364) 13.102 7.812 ( -10.791 0.000 -8.595) 13.796 7.848 ( -4.167 0.000 -0.738) 4.232 7.995 ( -8.704 0.000 -20.831) 22.576 8.224 ( 6.512 0.000 -2.954) 7.151 8.375 ( -1.076 0.000 13.567) 13.610 8.733 ( -12.267 0.000 -7.595) 14.428 8.736 ( 5.930 0.000 13.105) 14.384 8.946 ( -16.593 0.000 -4.277) 17.135 9.153 ( -1.086 0.000 0.015) 1.086 9.531 ( 20.179 0.000 5.872) 21.016 9.552 ( -2.606 0.000 2.158) 3.384 9.923 ( -8.960 0.000 -2.045) 9.191 10.012 ( 0.137 0.000 -6.187) 6.188 10.044 ( 7.855 0.000 3.105) 8.446 10.360 ( -6.112 0.000 4.279) 7.461 10.431 ( -2.471 0.000 0.578) 2.538 10.760 ( 17.904 0.000 -5.191) 18.642 11.088 ( 26.446 0.000 -5.787) 27.072 11.283 ( -8.016 0.000 -2.135) 8.296 11.717 ( -13.470 0.000 -3.430) 13.900 11.992 ( -6.557 0.000 -0.512) 6.577 12.001 ( 19.282 0.000 1.203) 19.319 12.370 ( 3.364 0.000 -10.574) 11.096 12.482 ( -2.170 0.000 -0.715) 2.285 13.184 ( 3.457 0.000 -0.986) 3.594 13.215 ( -1.622 0.000 11.804) 11.915 13.611 ( -4.366 0.000 -2.846) 5.212 13.833 ( 5.291 0.000 1.210) 5.427 13.975 ( -9.904 0.000 4.601) 10.921 14.000 ( -0.614 0.000 -10.028) 10.047 14.357 ( -0.407 0.000 6.444) 6.457 14.480 ( 8.801 0.000 3.206) 9.367 15.000 ( 2.385 0.000 -10.437) 10.706 15.065 ( -6.234 0.000 11.262) 12.872 15.419 ( -15.672 0.000 2.598) 15.886 15.743 ( 4.716 0.000 -5.262) 7.066 16.507 ( -11.059 0.000 -4.706) 12.019 17.164 ( 7.875 0.000 15.062) 16.997 22.312 ( -3.030 0.000 4.217) 5.193 22.362 ( 4.220 0.000 -4.202) 5.955 23.174 ( -2.251 0.000 -8.099) 8.406 23.293 ( -5.779 0.000 11.320) 12.710 23.974 ( -0.216 0.000 0.964) 0.988 24.033 ( 1.920 0.000 -1.546) 2.465 24.250 ( 2.209 0.000 3.800) 4.395 24.266 ( -1.458 0.000 2.491) 2.887 24.518 ( 0.738 0.000 -7.997) 8.032 24.998 ( 15.729 0.000 7.916) 17.609 25.287 ( -2.046 0.000 -2.465) 3.204 25.437 ( 3.991 0.000 0.789) 4.068 25.491 ( -5.877 0.000 1.172) 5.993 25.792 ( 8.366 0.000 -0.019) 8.366 26.451 ( -6.473 0.000 -4.678) 7.987 26.666 ( 2.953 0.000 -2.603) 3.936 ======================= Grid point 234 (115/136) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 11.842 0.000 -20.060) 23.295 1.943 ( 22.156 0.000 -25.910) 34.092 2.668 ( 7.427 0.000 18.578) 20.008 3.048 ( 38.291 0.000 -20.720) 43.538 3.051 ( 5.471 0.000 25.099) 25.688 3.532 ( 8.778 0.000 7.074) 11.274 3.753 ( 34.203 0.000 -4.069) 34.444 3.864 ( 2.684 0.000 4.330) 5.095 4.122 ( 5.924 0.000 4.310) 7.326 4.190 ( 11.665 0.000 -7.202) 13.709 4.326 ( 14.911 0.000 1.912) 15.033 4.508 ( -5.331 0.000 -5.968) 8.002 4.523 ( 12.086 0.000 15.915) 19.984 4.920 ( 5.082 0.000 -3.090) 5.948 4.949 ( -0.363 0.000 6.145) 6.155 5.407 ( 5.194 0.000 -6.621) 8.415 5.914 ( 1.480 0.000 5.219) 5.425 5.960 ( -4.314 0.000 5.426) 6.932 5.982 ( -11.271 0.000 1.595) 11.383 6.313 ( 10.606 0.000 2.116) 10.815 6.702 ( -7.702 0.000 9.963) 12.593 6.884 ( -18.399 0.000 -9.042) 20.500 7.008 ( -21.911 0.000 3.564) 22.199 7.536 ( 5.510 0.000 -4.690) 7.236 7.654 ( 0.553 0.000 -5.922) 5.948 7.669 ( -4.256 0.000 -10.431) 11.266 7.875 ( -1.631 0.000 -2.572) 3.045 8.221 ( -1.641 0.000 -5.126) 5.382 8.403 ( -7.102 0.000 6.597) 9.694 8.515 ( -9.769 0.000 2.461) 10.074 8.675 ( -3.998 0.000 -6.527) 7.655 8.839 ( -4.720 0.000 3.694) 5.993 8.997 ( -9.142 0.000 -2.825) 9.568 9.478 ( -6.723 0.000 -0.812) 6.772 9.823 ( 8.313 0.000 -4.598) 9.500 9.902 ( 11.399 0.000 4.325) 12.192 10.126 ( 12.832 0.000 3.546) 13.313 10.160 ( -3.408 0.000 -2.948) 4.506 10.437 ( 1.727 0.000 0.985) 1.989 10.474 ( 15.116 0.000 7.781) 17.001 11.003 ( 19.146 0.000 -9.201) 21.242 11.258 ( 0.055 0.000 1.672) 1.673 11.361 ( 6.611 0.000 -12.973) 14.561 11.465 ( -5.025 0.000 2.600) 5.657 11.773 ( -12.742 0.000 -0.708) 12.762 12.215 ( 3.419 0.000 0.663) 3.483 12.383 ( 5.926 0.000 -6.188) 8.568 12.458 ( 6.592 0.000 -8.430) 10.701 13.205 ( -2.683 0.000 2.708) 3.812 13.294 ( -5.051 0.000 11.465) 12.529 13.542 ( 1.254 0.000 -2.934) 3.191 13.787 ( -6.486 0.000 -3.460) 7.351 13.889 ( -1.824 0.000 -6.119) 6.386 13.998 ( 2.995 0.000 8.563) 9.071 14.425 ( -1.337 0.000 9.842) 9.933 14.675 ( 10.165 0.000 1.621) 10.293 14.918 ( -0.147 0.000 -9.557) 9.558 15.063 ( -6.933 0.000 11.520) 13.445 15.218 ( -10.279 0.000 2.608) 10.604 15.731 ( 1.993 0.000 -7.202) 7.473 16.317 ( -8.993 0.000 -0.188) 8.995 17.276 ( -8.690 0.000 7.022) 11.172 22.316 ( -1.773 0.000 4.732) 5.053 22.391 ( 4.326 0.000 -4.417) 6.183 23.018 ( -5.922 0.000 -8.087) 10.024 23.286 ( -8.060 0.000 10.888) 13.546 23.969 ( -1.747 0.000 1.153) 2.093 23.992 ( -2.388 0.000 -1.697) 2.929 24.291 ( 3.091 0.000 -0.366) 3.113 24.450 ( 10.669 0.000 9.924) 14.571 24.491 ( 2.551 0.000 -4.006) 4.749 25.084 ( -4.682 0.000 -6.073) 7.669 25.239 ( -0.418 0.000 -6.068) 6.083 25.510 ( 4.520 0.000 -1.024) 4.634 25.670 ( 12.776 0.000 16.201) 20.633 25.922 ( 7.060 0.000 -0.138) 7.061 26.336 ( -0.893 0.000 -2.292) 2.460 26.654 ( 0.429 0.000 -4.815) 4.834 ======================= Grid point 235 (116/136) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 18.859 0.000 -3.156) 19.121 2.139 ( 27.832 0.000 -20.978) 34.852 2.952 ( 7.992 0.000 10.546) 13.232 3.185 ( -15.146 0.000 23.657) 28.090 3.518 ( 30.616 0.000 -9.678) 32.109 3.717 ( 6.963 0.000 3.668) 7.870 3.969 ( 0.398 0.000 4.036) 4.055 3.983 ( -1.854 0.000 -3.604) 4.053 4.000 ( -10.286 0.000 -3.436) 10.845 4.445 ( 4.122 0.000 -0.395) 4.141 4.583 ( 35.760 0.000 5.429) 36.170 4.699 ( 17.821 0.000 -3.378) 18.138 4.850 ( 3.332 0.000 12.852) 13.277 5.157 ( 23.679 0.000 2.059) 23.769 5.257 ( 28.575 0.000 3.529) 28.792 5.508 ( 13.712 0.000 -4.547) 14.446 5.808 ( -11.842 0.000 -10.680) 15.946 5.814 ( -11.114 0.000 6.657) 12.955 5.909 ( -4.442 0.000 2.900) 5.305 6.462 ( 5.565 0.000 -6.665) 8.683 6.534 ( -12.524 0.000 0.114) 12.525 6.661 ( -16.438 0.000 -0.643) 16.451 6.735 ( -5.828 0.000 14.835) 15.939 7.431 ( 0.218 0.000 -13.221) 13.223 7.586 ( -14.253 0.000 -1.723) 14.357 7.659 ( 5.224 0.000 -5.186) 7.361 7.832 ( 6.356 0.000 4.423) 7.743 8.106 ( -6.235 0.000 -2.355) 6.665 8.311 ( -5.969 0.000 -1.214) 6.092 8.490 ( -4.173 0.000 16.192) 16.721 8.655 ( 5.546 0.000 -6.237) 8.346 8.719 ( -4.742 0.000 -3.708) 6.020 8.869 ( -10.249 0.000 3.134) 10.718 9.377 ( -2.782 0.000 -0.908) 2.926 9.796 ( -3.928 0.000 -15.023) 15.528 10.012 ( 7.206 0.000 -5.576) 9.111 10.179 ( 5.397 0.000 -0.155) 5.400 10.407 ( 9.091 0.000 6.884) 11.403 10.474 ( 0.723 0.000 3.753) 3.822 10.791 ( 9.668 0.000 7.461) 12.212 11.145 ( -7.057 0.000 -8.503) 11.050 11.161 ( -5.764 0.000 -5.046) 7.660 11.259 ( 19.590 0.000 -6.368) 20.599 11.545 ( 4.130 0.000 -3.420) 5.362 11.697 ( -2.619 0.000 9.657) 10.006 12.206 ( -1.665 0.000 -1.314) 2.121 12.416 ( 1.211 0.000 -0.125) 1.217 12.477 ( 4.436 0.000 -11.051) 11.908 13.168 ( -3.886 0.000 3.677) 5.350 13.241 ( -6.331 0.000 0.630) 6.362 13.562 ( 2.258 0.000 -5.807) 6.231 13.661 ( -5.098 0.000 -1.581) 5.337 13.894 ( 3.186 0.000 9.008) 9.555 14.142 ( 3.966 0.000 7.513) 8.496 14.508 ( -2.338 0.000 12.984) 13.193 14.809 ( 3.393 0.000 -0.259) 3.402 14.813 ( -1.197 0.000 -8.638) 8.721 15.060 ( -6.964 0.000 6.416) 9.469 15.148 ( 1.428 0.000 4.304) 4.535 15.688 ( 1.904 0.000 -7.672) 7.904 16.189 ( -8.225 0.000 4.328) 9.294 17.049 ( -15.790 0.000 -6.308) 17.004 22.343 ( -1.020 0.000 5.229) 5.327 22.423 ( 4.524 0.000 -4.530) 6.402 22.848 ( -4.035 0.000 -6.830) 7.933 23.231 ( -9.873 0.000 8.610) 13.100 23.949 ( -1.754 0.000 1.565) 2.351 23.960 ( -0.613 0.000 0.669) 0.908 24.330 ( 3.897 0.000 -5.220) 6.515 24.536 ( 3.785 0.000 2.724) 4.664 24.736 ( 9.059 0.000 8.659) 12.532 24.887 ( -8.188 0.000 -6.320) 10.343 25.187 ( 2.523 0.000 -6.989) 7.431 25.563 ( 3.804 0.000 -3.142) 4.934 25.943 ( 5.538 0.000 4.636) 7.223 26.033 ( 5.855 0.000 0.248) 5.860 26.418 ( 3.631 0.000 11.005) 11.588 26.599 ( 0.107 0.000 -6.245) 6.246 ======================= Grid point 236 (117/136) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 23.897 0.000 5.885) 24.611 2.454 ( 29.581 0.000 -15.374) 33.338 3.060 ( -20.965 0.000 14.624) 25.561 3.118 ( 1.169 0.000 6.459) 6.564 3.711 ( -4.463 0.000 -2.335) 5.037 3.766 ( -6.232 0.000 -5.508) 8.317 3.917 ( 0.194 0.000 -0.491) 0.528 3.933 ( 1.232 0.000 8.456) 8.546 4.054 ( 11.192 0.000 8.505) 14.057 4.609 ( 15.095 0.000 -5.069) 15.923 4.827 ( -5.593 0.000 3.772) 6.746 4.916 ( 9.556 0.000 3.564) 10.199 5.250 ( 14.726 0.000 6.820) 16.229 5.418 ( -7.455 0.000 -16.159) 17.796 5.591 ( 18.864 0.000 0.912) 18.886 5.642 ( 4.843 0.000 0.576) 4.877 5.777 ( 9.426 0.000 11.308) 14.721 5.853 ( 1.190 0.000 -5.519) 5.646 5.900 ( 26.928 0.000 -2.032) 27.005 6.357 ( -9.303 0.000 4.813) 10.474 6.439 ( -8.861 0.000 2.007) 9.085 6.517 ( 10.887 0.000 -10.280) 14.974 6.811 ( -3.286 0.000 12.661) 13.080 7.152 ( -16.434 0.000 -9.480) 18.972 7.503 ( 4.763 0.000 -0.944) 4.856 7.694 ( 4.879 0.000 -6.374) 8.027 7.937 ( 0.112 0.000 0.532) 0.544 7.991 ( -5.315 0.000 0.275) 5.322 8.274 ( -2.135 0.000 7.360) 7.664 8.601 ( -9.339 0.000 -3.334) 9.916 8.621 ( -1.905 0.000 18.557) 18.655 8.688 ( 6.042 0.000 -6.327) 8.748 8.701 ( -9.154 0.000 4.090) 10.027 9.386 ( 4.173 0.000 1.245) 4.355 9.492 ( -8.690 0.000 -20.204) 21.994 10.064 ( 2.957 0.000 -5.988) 6.679 10.181 ( -1.589 0.000 -5.263) 5.497 10.352 ( -8.292 0.000 -0.936) 8.345 10.694 ( 7.465 0.000 10.123) 12.578 10.933 ( 2.761 0.000 -0.220) 2.769 11.007 ( 5.458 0.000 -10.002) 11.394 11.138 ( 1.899 0.000 2.959) 3.516 11.504 ( 9.257 0.000 2.669) 9.634 11.537 ( -0.035 0.000 -2.438) 2.438 11.779 ( 1.776 0.000 6.357) 6.601 12.141 ( -4.327 0.000 -2.552) 5.023 12.391 ( 1.046 0.000 -12.062) 12.107 12.407 ( -4.766 0.000 4.222) 6.367 13.147 ( -1.785 0.000 -3.605) 4.023 13.166 ( -0.091 0.000 1.587) 1.590 13.513 ( -0.436 0.000 -3.826) 3.851 13.574 ( -4.223 0.000 -0.106) 4.224 14.126 ( 8.909 0.000 11.824) 14.805 14.277 ( 2.794 0.000 7.838) 8.321 14.598 ( -2.756 0.000 11.977) 12.289 14.718 ( -0.825 0.000 -5.252) 5.316 14.795 ( -3.226 0.000 -1.456) 3.540 14.962 ( -5.718 0.000 -1.841) 6.007 15.300 ( 7.826 0.000 5.046) 9.312 15.642 ( 1.064 0.000 -6.742) 6.826 16.132 ( -6.211 0.000 9.549) 11.391 16.690 ( -12.619 0.000 -13.984) 18.836 22.380 ( -1.080 0.000 5.440) 5.546 22.445 ( 3.502 0.000 -5.232) 6.295 22.775 ( 1.777 0.000 -3.222) 3.680 23.122 ( -10.829 0.000 5.140) 11.987 23.952 ( -0.152 0.000 2.413) 2.418 23.975 ( 0.394 0.000 1.994) 2.033 24.327 ( 2.490 0.000 -5.133) 5.706 24.630 ( -7.262 0.000 -10.093) 12.434 24.658 ( 4.955 0.000 5.587) 7.467 24.944 ( 0.802 0.000 4.916) 4.981 25.220 ( 6.830 0.000 -0.037) 6.830 25.569 ( 1.487 0.000 -5.060) 5.274 26.032 ( 4.371 0.000 -0.654) 4.420 26.119 ( 3.089 0.000 0.779) 3.186 26.552 ( 2.764 0.000 -7.201) 7.713 26.564 ( -2.000 0.000 12.411) 12.571 ======================= Grid point 237 (118/136) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( 24.110 0.000 3.967) 24.435 2.714 ( -7.943 0.000 -3.170) 8.552 2.884 ( 11.777 0.000 -2.012) 11.948 3.123 ( -10.735 0.000 7.184) 12.917 3.511 ( -10.140 0.000 3.017) 10.579 3.561 ( -6.338 0.000 -7.637) 9.925 4.056 ( 9.879 0.000 -1.440) 9.984 4.065 ( -0.443 0.000 11.317) 11.326 4.320 ( 10.084 0.000 8.896) 13.447 4.639 ( -12.236 0.000 -10.803) 16.322 4.780 ( 15.984 0.000 -11.027) 19.418 4.990 ( -17.253 0.000 1.321) 17.303 5.181 ( 8.154 0.000 17.764) 19.546 5.449 ( -0.694 0.000 -13.503) 13.521 5.689 ( 0.906 0.000 2.944) 3.080 5.720 ( -0.104 0.000 -0.690) 0.698 5.974 ( 8.346 0.000 0.802) 8.384 5.977 ( 3.197 0.000 5.363) 6.244 6.271 ( 8.968 0.000 -1.388) 9.075 6.281 ( 0.392 0.000 -0.208) 0.444 6.467 ( 14.391 0.000 0.145) 14.392 6.675 ( 13.943 0.000 -8.764) 16.468 6.795 ( -15.970 0.000 -3.586) 16.368 6.822 ( -10.116 0.000 10.621) 14.667 7.615 ( 7.220 0.000 0.681) 7.252 7.696 ( 1.768 0.000 -4.903) 5.212 7.927 ( 0.023 0.000 0.056) 0.060 7.938 ( -1.412 0.000 0.003) 1.412 8.278 ( -4.349 0.000 4.468) 6.235 8.352 ( -12.504 0.000 -0.014) 12.504 8.666 ( 0.321 0.000 -0.628) 0.705 8.666 ( -2.449 0.000 4.092) 4.769 8.862 ( 8.628 0.000 10.144) 13.317 9.146 ( -9.284 0.000 -16.424) 18.866 9.565 ( 11.804 0.000 6.944) 13.695 9.875 ( -12.109 0.000 -10.264) 15.874 10.166 ( 2.922 0.000 -1.615) 3.339 10.224 ( -4.865 0.000 -0.686) 4.914 10.875 ( 1.364 0.000 10.094) 10.185 10.937 ( 3.308 0.000 -6.943) 7.691 11.087 ( 11.735 0.000 -9.197) 14.909 11.168 ( -6.371 0.000 7.679) 9.978 11.543 ( 4.323 0.000 -3.162) 5.356 11.586 ( -4.148 0.000 5.841) 7.164 11.884 ( 5.573 0.000 2.246) 6.008 12.013 ( -6.981 0.000 -1.989) 7.259 12.328 ( 5.704 0.000 -11.272) 12.633 12.353 ( -7.348 0.000 7.089) 10.211 13.128 ( 2.764 0.000 -2.179) 3.519 13.164 ( -1.876 0.000 0.565) 1.959 13.493 ( 0.381 0.000 -0.232) 0.446 13.516 ( -2.384 0.000 -0.065) 2.385 14.369 ( 8.155 0.000 3.677) 8.946 14.390 ( 0.622 0.000 7.765) 7.790 14.595 ( -0.650 0.000 -1.135) 1.308 14.681 ( -6.125 0.000 -4.232) 7.445 14.746 ( -0.418 0.000 10.080) 10.088 14.848 ( -1.969 0.000 -7.434) 7.690 15.469 ( 5.948 0.000 4.211) 7.287 15.580 ( -1.744 0.000 -5.093) 5.384 16.183 ( -1.276 0.000 14.177) 14.235 16.376 ( -5.937 0.000 -15.992) 17.059 22.412 ( -1.536 0.000 5.471) 5.683 22.437 ( 2.092 0.000 -5.582) 5.961 22.837 ( 7.329 0.000 -1.174) 7.422 22.975 ( -10.155 0.000 2.146) 10.380 23.984 ( 0.811 0.000 1.887) 2.054 23.997 ( -0.020 0.000 0.950) 0.951 24.338 ( 3.066 0.000 -0.879) 3.190 24.435 ( -5.580 0.000 -5.805) 8.052 24.799 ( 4.409 0.000 5.832) 7.311 24.914 ( -2.934 0.000 -3.902) 4.882 25.377 ( 5.566 0.000 6.556) 8.600 25.508 ( -1.866 0.000 -6.488) 6.751 26.097 ( 4.037 0.000 -0.902) 4.137 26.140 ( -1.544 0.000 0.862) 1.768 26.560 ( 6.640 0.000 -7.768) 10.220 26.595 ( -6.475 0.000 9.304) 11.335 ======================= Grid point 243 (119/136) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( -12.212 1.895 -23.667) 26.699 1.782 ( 12.212 1.895 23.667) 26.699 2.208 ( 2.922 13.106 -23.396) 26.975 2.208 ( -2.922 13.106 23.396) 26.975 2.909 ( -0.821 -1.537 -16.829) 16.919 2.909 ( 0.821 -1.537 16.829) 16.919 3.445 ( 0.521 3.291 -9.518) 10.084 3.445 ( -0.521 3.291 9.518) 10.084 3.807 ( -1.133 -7.239 -1.928) 7.577 3.807 ( 1.133 -7.239 1.928) 7.577 4.203 ( -0.116 4.002 -6.305) 7.469 4.203 ( 0.116 4.002 6.305) 7.469 4.881 ( 1.840 -0.194 -6.548) 6.804 4.881 ( -1.840 -0.194 6.548) 6.804 5.347 ( -6.428 -3.178 -6.944) 9.982 5.347 ( 6.428 -3.178 6.944) 9.982 5.742 ( -10.599 -1.695 -13.725) 17.424 5.742 ( 10.599 -1.695 13.725) 17.424 6.110 ( 4.454 7.017 -7.203) 10.999 6.110 ( -4.454 7.017 7.203) 10.999 7.023 ( 8.514 -7.861 -5.901) 13.004 7.023 ( -8.514 -7.861 5.901) 13.004 7.382 ( -4.595 3.774 -3.816) 7.065 7.382 ( 4.595 3.774 3.816) 7.065 7.991 ( -3.933 -2.115 -0.642) 4.511 7.991 ( 3.933 -2.115 0.642) 4.511 8.113 ( -7.425 -4.651 -12.248) 15.059 8.113 ( 7.425 -4.651 12.248) 15.059 8.385 ( -6.772 -0.959 -14.237) 15.795 8.385 ( 6.772 -0.959 14.237) 15.795 9.019 ( -10.225 -2.433 -4.618) 11.480 9.019 ( 10.225 -2.433 4.618) 11.480 9.272 ( -4.852 7.335 -1.312) 8.892 9.272 ( 4.852 7.335 1.312) 8.892 9.693 ( -11.668 1.007 -1.321) 11.786 9.693 ( 11.668 1.007 1.321) 11.786 10.106 ( -3.950 -3.521 -7.388) 9.087 10.106 ( 3.950 -3.521 7.388) 9.087 10.428 ( -12.459 -10.500 1.895) 16.404 10.428 ( 12.459 -10.500 -1.895) 16.404 10.616 ( -20.718 1.451 -1.690) 20.837 10.616 ( 20.718 1.451 1.690) 20.837 11.479 ( -15.921 -8.279 -4.770) 18.568 11.479 ( 15.921 -8.279 4.770) 18.568 12.048 ( -7.928 6.874 -2.574) 10.805 12.048 ( 7.928 6.874 2.574) 10.805 12.506 ( 0.264 2.478 -7.920) 8.302 12.506 ( -0.264 2.478 7.920) 8.302 13.217 ( -1.437 5.222 -4.654) 7.141 13.217 ( 1.437 5.222 4.654) 7.141 13.728 ( -5.334 1.477 -2.669) 6.144 13.728 ( 5.334 1.477 2.669) 6.144 14.032 ( -1.700 -2.233 -3.459) 4.455 14.032 ( 1.700 -2.233 3.459) 4.455 14.433 ( 2.853 7.072 -2.915) 8.164 14.433 ( -2.853 7.072 2.915) 8.164 15.013 ( 4.481 -3.338 -10.017) 11.470 15.013 ( -4.481 -3.338 10.017) 11.470 15.676 ( -6.258 2.959 -0.679) 6.955 15.676 ( 6.258 2.959 0.679) 6.955 16.747 ( -11.511 -5.584 -10.697) 16.677 16.747 ( 11.511 -5.584 10.697) 16.677 22.398 ( 3.465 5.919 -5.077) 8.533 22.398 ( -3.465 5.919 5.077) 8.533 23.240 ( 2.290 -1.752 -9.225) 9.665 23.240 ( -2.290 -1.752 9.225) 9.665 23.986 ( -2.290 0.339 0.607) 2.393 23.986 ( 2.290 0.339 -0.607) 2.393 24.248 ( -0.478 -0.821 -1.545) 1.814 24.248 ( 0.478 -0.821 1.545) 1.814 24.702 ( -8.180 3.074 -7.982) 11.835 24.702 ( 8.180 3.074 7.982) 11.835 25.364 ( -3.438 0.380 -2.045) 4.019 25.364 ( 3.438 0.380 2.045) 4.019 25.626 ( -8.748 -1.201 -1.048) 8.892 25.626 ( 8.748 -1.201 1.048) 8.892 26.559 ( -4.804 -3.292 -1.738) 6.077 26.559 ( 4.804 -3.292 1.738) 6.077 ======================= Grid point 245 (120/136) ======================= q-point: ( 0.09 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 8.797 9.509 -26.451) 29.453 2.061 ( 11.411 13.414 -23.285) 29.195 2.347 ( 15.143 1.365 22.246) 26.945 2.508 ( 16.968 4.856 15.611) 23.563 2.893 ( 23.223 9.353 -19.013) 31.437 3.180 ( 11.976 -8.849 10.253) 18.079 3.385 ( 6.189 1.637 -3.905) 7.499 3.700 ( 14.715 -5.803 -1.573) 15.896 3.838 ( 6.090 3.482 9.647) 11.928 3.918 ( 7.223 -9.034 4.279) 12.333 4.183 ( 2.704 2.632 -1.345) 4.006 4.307 ( 2.112 2.357 10.242) 10.720 4.805 ( -2.239 2.677 -5.410) 6.438 4.867 ( -5.837 -0.603 0.762) 5.918 5.205 ( -4.191 8.366 -4.844) 10.537 5.420 ( -5.293 -4.255 -6.744) 9.571 5.598 ( 8.840 -8.160 5.634) 13.284 5.964 ( -3.590 -3.794 9.118) 10.509 6.047 ( 0.098 1.864 5.273) 5.594 6.220 ( 5.982 8.013 -2.291) 10.259 6.842 ( -14.897 1.120 9.590) 17.753 6.963 ( -11.782 -13.401 -3.515) 18.187 7.332 ( 0.828 3.500 -2.930) 4.639 7.551 ( 10.137 0.656 -1.629) 10.288 7.737 ( -15.319 2.108 -6.031) 16.598 7.855 ( -8.450 -1.940 -2.279) 8.964 8.006 ( -1.653 -1.926 -13.101) 13.345 8.213 ( 1.438 0.453 -4.694) 4.930 8.349 ( 2.741 -3.811 10.476) 11.480 8.554 ( -1.011 -8.285 0.828) 8.388 8.855 ( -4.727 4.660 3.427) 7.470 8.999 ( -16.185 5.472 -1.464) 17.148 9.138 ( -2.183 -1.502 -1.357) 2.977 9.510 ( 14.026 -1.056 0.968) 14.099 9.633 ( 4.238 5.343 2.566) 7.286 9.919 ( -6.478 -0.276 -1.831) 6.737 9.954 ( 3.999 -3.653 -3.608) 6.508 10.081 ( -1.982 0.945 0.162) 2.202 10.270 ( 1.907 -8.037 4.219) 9.275 10.366 ( -5.775 -5.040 1.037) 7.735 10.683 ( 16.896 -4.795 -5.561) 18.423 11.024 ( 17.550 -6.245 -2.582) 18.806 11.275 ( 1.592 -0.048 -1.052) 1.908 11.745 ( 2.666 -6.940 0.991) 7.500 11.849 ( -5.706 4.459 -2.994) 7.836 12.192 ( 4.740 7.844 0.682) 9.190 12.363 ( -1.907 -0.736 -8.496) 8.738 12.512 ( -3.914 2.242 -0.611) 4.552 13.180 ( -0.150 0.708 0.091) 0.729 13.319 ( 2.161 6.732 6.995) 9.946 13.612 ( -6.014 1.908 -1.432) 6.470 13.858 ( 5.403 1.940 3.344) 6.644 13.926 ( -3.636 -0.741 -1.123) 3.877 14.076 ( 1.872 3.409 -6.275) 7.383 14.428 ( -2.448 5.662 7.406) 9.638 14.508 ( 5.775 3.146 1.002) 6.653 14.976 ( 2.203 -2.389 -8.711) 9.297 15.030 ( -4.865 -3.419 9.497) 11.205 15.457 ( -15.127 3.780 1.181) 15.637 15.754 ( 2.329 0.747 -3.610) 4.361 16.487 ( -9.225 -1.554 -4.544) 10.400 17.050 ( 6.890 -10.325 12.166) 17.380 22.393 ( -2.990 6.908 5.086) 9.084 22.410 ( 3.352 4.641 -4.223) 7.114 23.156 ( -2.851 -1.640 -7.071) 7.798 23.271 ( -5.771 -2.128 10.724) 12.363 23.978 ( -0.277 0.445 0.871) 1.017 24.030 ( 1.660 -0.267 -1.453) 2.222 24.223 ( -0.349 -1.765 1.494) 2.338 24.257 ( -0.073 -1.251 2.514) 2.810 24.588 ( 1.975 6.327 -5.213) 8.432 25.006 ( 15.223 0.421 7.639) 17.038 25.285 ( -2.614 -0.181 -2.470) 3.601 25.397 ( -2.710 -3.098 -1.894) 4.531 25.528 ( 1.505 2.919 2.512) 4.135 25.787 ( 8.836 -0.618 0.102) 8.858 26.430 ( -5.437 -1.707 -4.882) 7.504 26.621 ( 2.347 -4.182 -1.821) 5.130 ======================= Grid point 246 (121/136) ======================= q-point: ( 0.18 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 12.085 13.680 -18.408) 25.924 2.079 ( 18.210 12.817 -22.925) 31.960 2.730 ( 8.025 5.690 18.600) 21.041 2.969 ( 16.402 -1.574 12.900) 20.926 3.264 ( 21.077 11.819 -6.351) 24.985 3.375 ( 13.917 -12.098 -0.589) 18.450 3.737 ( 34.698 -2.374 -2.640) 34.879 3.828 ( 3.632 -5.102 3.194) 7.030 4.006 ( 4.627 -6.275 -0.771) 7.835 4.232 ( 15.756 -0.268 1.148) 15.800 4.339 ( 15.966 2.406 4.461) 16.752 4.478 ( 2.670 0.128 12.299) 12.586 4.631 ( -6.360 7.940 -2.363) 10.444 4.867 ( 10.235 0.757 0.574) 10.279 5.128 ( -0.337 9.908 -1.376) 10.009 5.384 ( 5.471 -1.609 -2.431) 6.199 5.757 ( -0.462 -9.976 4.508) 10.957 5.919 ( -6.892 -4.099 6.350) 10.228 6.071 ( -3.974 0.901 0.790) 4.151 6.245 ( 0.628 -5.775 -2.652) 6.386 6.644 ( -17.183 -7.245 -1.768) 18.731 6.805 ( -3.592 7.390 9.685) 12.701 7.200 ( -16.024 6.375 0.219) 17.247 7.506 ( -0.308 -3.657 -7.611) 8.450 7.632 ( -0.279 1.354 -5.045) 5.231 7.724 ( -1.704 1.386 -4.331) 4.856 7.878 ( -1.361 2.433 -4.889) 5.628 8.162 ( -3.348 -5.047 -4.497) 7.543 8.430 ( -4.114 -1.858 -0.509) 4.542 8.476 ( -2.604 -4.777 6.476) 8.458 8.690 ( -10.285 7.188 -0.999) 12.587 8.873 ( -5.617 2.459 -0.542) 6.156 9.006 ( -5.597 1.310 -2.526) 6.279 9.526 ( -6.528 3.115 -1.337) 7.355 9.812 ( 6.409 -4.465 -7.689) 10.960 9.905 ( 9.972 -1.574 9.518) 13.875 9.978 ( 5.946 -1.364 -4.677) 7.687 10.255 ( 7.029 -4.424 5.254) 9.828 10.337 ( 1.790 0.272 1.775) 2.536 10.421 ( 11.243 -6.485 4.680) 13.797 10.900 ( 13.863 -7.403 -5.701) 16.718 11.121 ( 3.348 -9.876 -2.388) 10.698 11.493 ( 14.926 4.819 -3.725) 16.121 11.550 ( -11.635 8.995 -3.253) 15.062 11.765 ( -6.250 -0.531 -3.413) 7.141 12.205 ( -3.130 -0.579 2.278) 3.914 12.378 ( 4.164 -0.461 -6.129) 7.424 12.448 ( 6.027 -0.726 -4.612) 7.624 13.171 ( -3.176 -1.830 3.065) 4.779 13.431 ( 1.579 6.931 8.778) 11.296 13.478 ( -7.224 0.190 -2.652) 7.697 13.854 ( 0.011 5.039 -2.141) 5.475 13.961 ( -4.733 3.805 -2.594) 6.604 14.047 ( 6.354 6.368 1.724) 9.159 14.469 ( -3.202 3.673 9.710) 10.864 14.647 ( 8.115 -2.784 1.081) 8.647 14.911 ( 0.024 -0.639 -8.025) 8.050 15.048 ( -3.526 -2.058 9.466) 10.309 15.237 ( -11.825 2.723 2.187) 12.330 15.718 ( -0.421 -1.694 -4.992) 5.288 16.322 ( -7.532 1.099 -0.964) 7.672 17.142 ( -7.000 -12.171 4.924) 14.878 22.396 ( -1.850 6.228 3.714) 7.484 22.430 ( 2.949 4.448 -2.309) 5.815 23.000 ( -6.479 -1.557 -7.229) 9.832 23.257 ( -8.397 -2.960 10.494) 13.762 23.969 ( -1.944 -0.037 0.788) 2.098 23.990 ( -2.477 -0.204 -1.419) 2.862 24.255 ( 3.503 -2.616 -0.825) 4.449 24.362 ( 5.939 -4.226 3.436) 8.059 24.645 ( 6.377 9.981 2.660) 12.139 25.107 ( -4.504 1.988 -5.423) 7.324 25.233 ( -0.618 -0.636 -5.998) 6.063 25.436 ( 6.551 -6.344 3.903) 9.920 25.721 ( 11.970 4.137 10.291) 16.319 25.927 ( 7.572 0.326 -0.133) 7.580 26.318 ( -1.160 -1.325 -3.592) 4.001 26.611 ( 0.333 -4.193 -4.079) 5.859 ======================= Grid point 247 (122/136) ======================= q-point: ( 0.27 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 17.239 12.806 -3.615) 21.777 2.225 ( 23.424 8.288 -19.221) 31.414 2.995 ( 3.771 3.868 11.385) 12.602 3.187 ( -8.534 -0.716 18.815) 20.672 3.489 ( 13.061 -7.185 0.212) 14.908 3.679 ( 16.950 -0.436 -2.675) 17.165 3.879 ( 2.577 -0.579 -5.149) 5.787 3.952 ( 0.530 -2.124 3.101) 3.796 4.219 ( -3.991 11.793 -1.676) 12.563 4.396 ( 2.856 -4.019 3.551) 6.076 4.569 ( 28.654 -0.774 -1.855) 28.724 4.647 ( 17.850 -0.038 5.163) 18.582 4.923 ( 12.822 2.395 6.560) 14.601 5.206 ( 18.171 4.380 1.709) 18.769 5.227 ( 22.846 -1.913 1.426) 22.970 5.532 ( 13.310 1.989 -1.152) 13.507 5.689 ( -9.108 -7.806 6.278) 13.539 5.799 ( -8.466 -2.004 -8.852) 12.412 6.003 ( -3.267 2.341 1.997) 4.488 6.158 ( -7.871 -17.202 -0.938) 18.940 6.450 ( -2.684 -1.184 -2.142) 3.632 6.818 ( -10.260 5.331 11.267) 16.144 6.952 ( -7.912 14.838 -1.624) 16.894 7.429 ( -13.067 -9.339 -5.834) 17.088 7.487 ( 5.180 4.591 -7.322) 10.076 7.729 ( 3.639 2.284 -2.593) 5.019 7.874 ( 2.893 3.685 1.240) 4.846 8.045 ( -5.700 -4.459 -1.884) 7.478 8.312 ( -5.832 -2.090 1.163) 6.304 8.542 ( 2.626 -7.034 -0.912) 7.563 8.584 ( -6.522 8.128 8.368) 13.365 8.774 ( -0.576 4.117 -4.067) 5.816 8.896 ( -9.854 2.186 2.384) 10.371 9.424 ( -3.142 4.355 -0.181) 5.373 9.707 ( -3.960 -7.779 -15.762) 18.017 10.074 ( 8.909 5.404 -4.079) 11.190 10.106 ( 3.263 -6.483 4.191) 8.381 10.406 ( 4.911 -5.503 4.847) 8.826 10.481 ( 7.999 4.410 6.749) 11.358 10.656 ( 9.721 -11.228 2.723) 15.099 10.979 ( -2.026 -11.537 -1.330) 11.789 11.084 ( -3.383 -4.578 -5.081) 7.630 11.401 ( 4.002 9.361 -10.754) 14.808 11.518 ( -0.802 -0.750 -4.068) 4.213 11.805 ( 6.882 2.256 2.484) 7.656 12.142 ( -6.462 0.065 5.050) 8.201 12.343 ( 2.861 -4.602 -9.393) 10.844 12.593 ( 9.931 4.655 -1.483) 11.067 13.151 ( -2.625 -0.597 3.775) 4.637 13.304 ( -9.537 4.904 -0.825) 10.755 13.535 ( 2.845 1.146 0.456) 3.101 13.784 ( -6.096 8.411 -6.362) 12.181 13.918 ( 3.028 2.272 7.054) 8.006 14.191 ( 4.127 4.628 6.394) 8.907 14.520 ( -3.407 0.791 12.120) 12.615 14.752 ( 2.306 -5.413 -0.227) 5.889 14.827 ( 0.030 1.330 -7.708) 7.822 15.091 ( -7.769 1.295 1.051) 7.946 15.129 ( 2.997 0.021 8.461) 8.976 15.663 ( 0.123 -2.787 -4.877) 5.619 16.201 ( -7.322 1.694 2.295) 7.858 16.942 ( -13.759 -9.888 -6.119) 18.015 22.405 ( -0.647 4.590 2.341) 5.193 22.464 ( 2.546 4.869 -0.698) 5.539 22.826 ( -4.537 -1.956 -6.629) 8.268 23.193 ( -10.098 -3.802 8.338) 13.636 23.945 ( -1.553 -0.354 1.249) 2.024 23.957 ( -0.890 -0.335 0.792) 1.238 24.305 ( 4.300 -1.834 -3.942) 6.115 24.472 ( 4.359 -4.888 1.874) 6.812 24.827 ( 5.961 7.206 5.912) 11.064 24.929 ( -7.303 3.654 -4.158) 9.164 25.186 ( 3.041 0.041 -6.190) 6.897 25.538 ( 4.207 -2.528 -1.186) 5.049 25.977 ( 6.448 3.154 4.388) 8.413 26.043 ( 6.039 1.158 -0.113) 6.150 26.363 ( 3.813 -4.737 7.139) 9.378 26.566 ( 0.344 -3.406 -5.116) 6.156 ======================= Grid point 248 (123/136) ======================= q-point: ( 0.36 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 21.823 8.874 4.611) 24.006 2.486 ( 25.466 2.976 -12.943) 28.721 3.011 ( -13.388 -0.770 10.094) 16.784 3.212 ( -2.369 4.485 6.734) 8.431 3.660 ( 1.196 -5.479 0.109) 5.609 3.762 ( 0.214 -6.652 7.344) 9.911 3.792 ( -12.918 1.432 -3.747) 13.526 4.070 ( 9.727 8.851 -0.524) 13.162 4.188 ( 3.270 9.483 6.837) 12.140 4.483 ( 8.405 -8.466 -0.662) 11.948 4.791 ( 2.857 -4.224 0.803) 5.162 5.001 ( 2.767 6.516 0.448) 7.093 5.206 ( 21.557 -4.057 6.065) 22.758 5.372 ( -10.991 -4.185 -10.606) 15.837 5.578 ( 14.376 -2.290 -4.351) 15.194 5.619 ( 3.547 0.461 1.796) 4.002 5.736 ( 8.688 -3.395 9.249) 13.136 5.870 ( 20.020 -1.337 -2.944) 20.279 5.975 ( 7.355 2.800 -3.439) 8.588 6.139 ( 4.094 -7.694 7.314) 11.377 6.385 ( -1.964 0.526 -4.255) 4.716 6.774 ( -4.083 2.546 7.953) 9.295 6.872 ( 0.480 14.170 -5.000) 15.034 7.119 ( -15.192 -3.098 -2.140) 15.651 7.566 ( 7.543 6.306 -2.523) 10.150 7.746 ( 2.537 4.133 -5.103) 7.040 7.918 ( -1.607 -4.506 1.806) 5.113 7.949 ( -3.354 -1.051 0.388) 3.536 8.297 ( -1.804 0.349 6.072) 6.344 8.501 ( 0.255 -5.733 -5.387) 7.871 8.611 ( -5.961 -2.629 5.070) 8.256 8.717 ( -14.220 3.148 9.847) 17.581 8.777 ( 3.392 6.531 -0.075) 7.360 9.410 ( -6.969 -2.750 -7.624) 10.689 9.447 ( 2.651 2.323 -8.277) 8.996 10.087 ( -4.272 -4.617 -5.872) 8.605 10.164 ( 4.636 5.817 -0.653) 7.467 10.474 ( -2.296 7.247 0.346) 7.609 10.665 ( 4.679 -4.484 7.496) 9.909 10.799 ( 8.187 -11.044 -3.352) 14.151 10.914 ( 0.513 -15.401 -2.432) 15.600 10.993 ( -2.701 -2.596 1.174) 3.925 11.380 ( 1.153 -0.211 -6.072) 6.184 11.504 ( -1.099 -4.560 0.638) 4.734 11.877 ( 1.711 -8.296 -0.394) 8.479 12.196 ( 3.811 17.737 8.263) 19.935 12.271 ( 2.517 -8.933 -12.557) 15.615 12.682 ( -0.452 15.319 0.369) 15.330 13.152 ( -0.240 1.375 -0.638) 1.535 13.189 ( -2.126 2.877 1.240) 3.786 13.528 ( -0.490 1.373 -3.675) 3.954 13.630 ( -5.938 4.683 -2.115) 7.852 14.116 ( 7.941 -0.617 10.440) 13.132 14.311 ( 2.011 3.175 7.465) 8.357 14.586 ( -2.967 -1.482 10.216) 10.741 14.722 ( -3.001 -2.189 -0.119) 3.717 14.771 ( 0.072 0.280 -5.916) 5.923 14.975 ( -5.041 1.028 -2.799) 5.857 15.299 ( 7.090 0.167 6.347) 9.517 15.624 ( 0.338 -2.125 -4.320) 4.826 16.129 ( -5.945 0.157 6.810) 9.042 16.617 ( -11.668 -6.816 -12.699) 18.544 22.421 ( -0.102 3.331 2.158) 3.970 22.487 ( 0.969 4.644 -1.527) 4.984 22.747 ( 1.705 -2.687 -3.340) 4.613 23.081 ( -10.715 -4.027 5.093) 12.529 23.948 ( -0.042 -0.335 2.193) 2.219 23.969 ( 0.298 -0.558 1.967) 2.066 24.321 ( 2.851 -0.340 -4.192) 5.081 24.530 ( 0.218 -5.471 -2.543) 6.037 24.754 ( -2.437 5.002 -1.957) 5.898 24.955 ( -0.942 0.637 2.084) 2.374 25.251 ( 7.097 3.279 2.099) 8.095 25.564 ( 1.759 -0.566 -3.831) 4.254 26.072 ( 4.206 3.798 -0.794) 5.722 26.129 ( 3.432 1.057 0.522) 3.629 26.484 ( 1.609 -5.510 3.502) 6.724 26.545 ( 0.605 -2.813 0.567) 2.932 ======================= Grid point 249 (124/136) ======================= q-point: ( 0.45 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( 21.617 4.002 2.387) 22.114 2.689 ( -7.445 -1.501 -0.808) 7.638 2.943 ( 13.166 5.605 0.534) 14.319 3.211 ( -8.840 7.230 4.904) 12.429 3.491 ( -11.585 -2.701 -1.168) 11.953 3.523 ( -5.792 -2.664 -6.620) 9.191 3.973 ( 4.943 -3.123 14.582) 15.711 4.132 ( 0.586 1.516 -6.669) 6.864 4.401 ( 10.303 6.366 9.972) 15.688 4.635 ( 5.449 -2.089 -2.946) 6.537 4.728 ( 0.182 -3.092 -9.449) 9.944 4.901 ( -14.065 -5.507 -2.421) 15.298 5.247 ( 3.131 4.277 13.628) 14.623 5.456 ( 1.464 0.819 -11.055) 11.182 5.566 ( 4.750 -8.345 -1.428) 9.708 5.672 ( -5.358 -5.430 1.547) 7.784 5.906 ( 3.854 -3.617 8.090) 9.663 6.002 ( 2.883 -3.590 -4.210) 6.239 6.281 ( 12.513 2.908 -0.039) 12.846 6.331 ( 7.038 2.909 -1.429) 7.749 6.418 ( 12.857 1.784 2.847) 13.288 6.691 ( -11.353 -4.504 -3.490) 12.703 6.885 ( 9.128 13.716 -7.635) 18.159 6.959 ( -9.436 8.105 10.201) 16.087 7.660 ( 5.382 4.016 -0.779) 6.760 7.726 ( 0.309 2.847 -3.436) 4.473 7.904 ( -0.934 -3.075 1.205) 3.432 7.915 ( -1.281 -1.387 -0.531) 1.961 8.300 ( -3.242 1.623 4.312) 5.634 8.372 ( -9.014 1.661 -0.886) 9.208 8.575 ( 5.486 -7.414 -5.778) 10.883 8.629 ( -9.063 -4.291 8.956) 13.445 8.904 ( 5.749 4.447 7.501) 10.445 9.121 ( -7.437 -1.026 -13.693) 15.617 9.604 ( 10.346 3.852 6.570) 12.847 9.875 ( -10.453 0.214 -9.008) 13.800 10.242 ( 4.166 6.938 2.234) 8.395 10.362 ( -6.243 10.053 -3.534) 12.350 10.800 ( 2.290 -10.370 7.479) 12.989 10.867 ( 3.400 -13.027 -5.666) 14.607 10.944 ( 5.914 -9.711 -3.456) 11.883 10.997 ( -2.125 -8.396 2.823) 9.110 11.352 ( 1.181 -5.575 -0.167) 5.702 11.431 ( -6.305 -7.948 -0.457) 10.155 11.960 ( 4.508 -6.108 6.143) 9.765 12.117 ( -3.605 -3.164 -9.909) 11.009 12.410 ( 10.076 17.548 2.873) 20.438 12.592 ( -8.483 19.930 -0.810) 21.676 13.161 ( 3.097 3.012 -1.675) 4.633 13.193 ( -1.151 2.792 0.878) 3.145 13.499 ( 0.902 0.470 -1.117) 1.511 13.538 ( -3.982 1.825 0.043) 4.380 14.338 ( 7.950 -2.785 4.016) 9.332 14.404 ( -1.095 0.831 7.306) 7.434 14.584 ( -0.974 -1.457 0.183) 1.762 14.655 ( -4.360 -2.072 -4.072) 6.315 14.765 ( 0.272 1.935 7.248) 7.507 14.863 ( -2.168 1.297 -7.140) 7.574 15.467 ( 5.488 -0.083 4.874) 7.341 15.574 ( -1.657 -0.722 -4.324) 4.686 16.156 ( -1.346 -2.403 11.936) 12.250 16.327 ( -5.708 -4.551 -14.341) 16.092 22.443 ( 0.050 2.865 2.342) 3.700 22.470 ( -0.144 3.370 -2.444) 4.165 22.807 ( 7.145 -2.861 -1.284) 7.803 22.939 ( -9.822 -3.518 2.291) 10.681 23.978 ( 0.796 -0.496 1.653) 1.901 23.990 ( -0.034 -0.645 0.963) 1.159 24.341 ( 3.011 0.387 -0.607) 3.096 24.427 ( -4.376 -0.747 -4.884) 6.600 24.800 ( 3.240 0.220 4.622) 5.648 24.902 ( -3.011 -1.172 -3.828) 5.009 25.407 ( 4.850 2.811 6.203) 8.360 25.521 ( -1.360 1.098 -5.601) 5.867 26.128 ( 3.423 2.986 -1.064) 4.665 26.158 ( -0.866 1.786 0.892) 2.176 26.523 ( 5.253 -3.599 -4.961) 8.072 26.556 ( -4.518 -3.678 6.209) 8.514 ======================= Grid point 255 (125/136) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -6.297 4.999 -15.930) 17.844 1.859 ( 6.297 4.999 15.930) 17.844 2.480 ( 5.048 10.733 -17.550) 21.182 2.480 ( -5.048 10.733 17.550) 21.182 2.879 ( 2.427 1.732 -7.926) 8.469 2.879 ( -2.427 1.732 7.926) 8.469 3.385 ( -4.536 -11.569 -6.893) 14.210 3.385 ( 4.536 -11.569 6.893) 14.210 3.817 ( 4.116 9.620 -15.218) 18.469 3.817 ( -4.116 9.620 15.218) 18.469 4.239 ( 1.230 -1.211 -7.237) 7.440 4.239 ( -1.230 -1.211 7.237) 7.440 4.922 ( -1.324 4.417 -3.098) 5.555 4.922 ( 1.324 4.417 3.098) 5.555 5.233 ( -1.863 -7.884 -3.919) 8.999 5.233 ( 1.863 -7.884 3.919) 8.999 5.688 ( -6.131 -3.005 -9.847) 11.983 5.688 ( 6.131 -3.005 9.847) 11.983 6.303 ( 0.924 10.800 -5.601) 12.201 6.303 ( -0.924 10.800 5.601) 12.201 6.882 ( 0.621 -5.939 -5.964) 8.440 6.882 ( -0.621 -5.939 5.964) 8.440 7.373 ( 0.676 -4.378 -4.746) 6.492 7.373 ( -0.676 -4.378 4.746) 6.492 7.933 ( 3.024 -2.962 -2.420) 4.876 7.933 ( -3.024 -2.962 2.420) 4.876 8.047 ( -6.504 -1.024 -6.767) 9.442 8.047 ( 6.504 -1.024 6.767) 9.442 8.389 ( -2.434 0.815 -6.870) 7.334 8.389 ( 2.434 0.815 6.870) 7.334 8.967 ( -4.307 -2.198 -0.638) 4.877 8.967 ( 4.307 -2.198 0.638) 4.877 9.429 ( 4.675 7.758 -7.465) 11.737 9.429 ( -4.675 7.758 7.465) 11.737 9.702 ( -3.974 -1.788 -4.892) 6.552 9.702 ( 3.974 -1.788 4.892) 6.552 10.003 ( -2.743 -5.165 -5.125) 7.776 10.003 ( 2.743 -5.165 5.125) 7.776 10.230 ( -1.926 -6.692 -3.803) 7.935 10.230 ( 1.926 -6.692 3.803) 7.935 10.688 ( -10.070 4.334 -4.417) 11.819 10.688 ( 10.070 4.334 4.417) 11.819 11.318 ( -9.882 -7.250 -3.500) 12.746 11.318 ( 9.882 -7.250 3.500) 12.746 12.177 ( -3.009 5.925 -3.646) 7.580 12.177 ( 3.009 5.925 3.646) 7.580 12.519 ( 1.014 -1.428 -6.832) 7.053 12.519 ( -1.014 -1.428 6.832) 7.053 13.312 ( -4.625 3.351 -1.089) 5.814 13.312 ( 4.625 3.351 1.089) 5.814 13.802 ( -2.793 5.644 -2.433) 6.751 13.802 ( 2.793 5.644 2.433) 6.751 13.987 ( -5.930 -2.369 -0.843) 6.442 13.987 ( 5.930 -2.369 0.843) 6.442 14.577 ( 2.044 6.711 -4.963) 8.593 14.577 ( -2.044 6.711 4.963) 8.593 14.921 ( 3.778 -5.470 -7.350) 9.910 14.921 ( -3.778 -5.470 7.350) 9.910 15.748 ( -3.893 3.702 -1.959) 5.718 15.748 ( 3.893 3.702 1.959) 5.718 16.621 ( -5.438 -5.979 -7.803) 11.234 16.621 ( 5.438 -5.979 7.803) 11.234 22.526 ( 2.119 5.792 -4.924) 7.892 22.526 ( -2.119 5.792 4.924) 7.892 23.197 ( 1.466 -2.200 -6.440) 6.962 23.197 ( -1.466 -2.200 6.440) 6.962 23.994 ( -1.412 0.334 0.384) 1.501 23.994 ( 1.412 0.334 -0.384) 1.501 24.231 ( -0.067 -0.773 -1.057) 1.311 24.231 ( 0.067 -0.773 1.057) 1.311 24.771 ( -5.021 3.215 -4.724) 7.607 24.771 ( 5.021 3.215 4.724) 7.607 25.376 ( -3.252 0.764 -1.629) 3.717 25.376 ( 3.252 0.764 1.629) 3.717 25.592 ( -6.718 -1.958 -1.522) 7.161 25.592 ( 6.718 -1.958 1.522) 7.161 26.491 ( -2.366 -2.870 -1.794) 4.129 26.491 ( 2.366 -2.870 1.794) 4.129 ======================= Grid point 257 (126/136) ======================= q-point: ( 0.09 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 14.353 16.946 -19.284) 29.412 2.273 ( 22.347 1.482 -1.293) 22.434 2.462 ( 12.064 12.252 -2.856) 17.430 2.618 ( 3.696 4.702 16.102) 17.177 2.939 ( 10.075 -9.128 -4.245) 14.242 3.102 ( 20.662 8.697 1.854) 22.494 3.327 ( 6.775 -10.431 -6.617) 14.089 3.608 ( 13.548 -8.298 3.811) 16.338 3.780 ( 6.624 4.849 -8.000) 11.462 3.983 ( 5.555 9.330 15.219) 18.695 4.207 ( 2.880 -1.641 -4.848) 5.873 4.312 ( -0.719 -2.347 10.848) 11.123 4.862 ( -0.509 4.759 -1.234) 4.943 4.941 ( -0.275 5.531 -2.598) 6.117 5.247 ( 2.270 -5.825 3.859) 7.347 5.369 ( 4.612 -7.813 7.809) 11.970 5.463 ( -5.445 5.083 -10.960) 13.252 5.834 ( 1.580 -8.449 4.823) 9.856 6.128 ( -10.330 4.947 2.335) 11.689 6.316 ( -6.813 -1.062 -7.332) 10.065 6.823 ( -1.134 2.263 0.483) 2.578 6.899 ( -6.713 4.219 11.593) 14.045 7.335 ( -1.498 -3.975 -2.463) 4.911 7.447 ( 5.118 -8.362 -2.997) 10.252 7.752 ( -11.015 -1.871 -5.194) 12.321 7.839 ( -8.393 -2.289 -1.396) 8.811 7.982 ( 2.198 3.880 -2.829) 5.281 8.221 ( 4.180 -7.404 5.423) 10.084 8.269 ( -3.948 4.314 -6.115) 8.461 8.441 ( -1.423 -4.058 -0.162) 4.303 8.942 ( -0.895 3.552 3.076) 4.783 9.032 ( 1.935 -2.056 -3.350) 4.381 9.219 ( -14.601 9.429 1.393) 17.437 9.529 ( 7.466 3.756 -4.022) 9.275 9.625 ( -0.284 -6.885 -1.326) 7.017 9.872 ( 3.200 -7.195 1.396) 7.998 9.906 ( -0.642 -0.131 -2.669) 2.748 10.025 ( -0.308 -6.355 2.722) 6.920 10.181 ( 0.836 3.170 1.980) 3.830 10.310 ( 4.221 -0.767 2.581) 5.006 10.636 ( 8.618 0.503 -4.324) 9.655 10.871 ( 4.639 -8.530 -1.390) 9.808 11.297 ( 11.250 2.623 0.840) 11.582 11.557 ( 11.363 -9.501 1.704) 14.910 12.011 ( -8.564 8.993 -3.733) 12.967 12.275 ( 4.920 -1.237 -4.131) 6.542 12.371 ( -9.125 3.225 -0.545) 9.693 12.525 ( -4.648 -1.549 0.618) 4.938 13.223 ( -4.244 3.401 0.184) 5.442 13.363 ( 0.180 -1.801 0.312) 1.837 13.740 ( -4.100 8.668 2.662) 9.952 13.896 ( 1.636 0.803 1.191) 2.177 13.951 ( 5.219 3.796 0.564) 6.478 14.114 ( 9.393 0.055 -4.150) 10.269 14.526 ( -3.899 4.484 2.719) 6.534 14.604 ( -0.707 4.701 0.809) 4.822 14.905 ( 0.843 -4.317 -1.865) 4.778 14.946 ( -0.565 -4.424 3.376) 5.594 15.562 ( -12.983 6.299 -1.417) 14.500 15.753 ( -3.615 -1.435 -1.850) 4.307 16.480 ( -4.356 1.849 -2.386) 5.299 16.808 ( 4.285 -12.720 7.274) 15.266 22.511 ( 1.491 5.322 -4.078) 6.868 22.539 ( -1.659 5.705 4.173) 7.260 23.125 ( -4.404 -0.846 -3.144) 5.476 23.211 ( -5.909 -3.651 8.783) 11.198 23.991 ( -0.273 0.794 0.543) 1.000 24.022 ( 0.941 -0.551 -0.979) 1.465 24.197 ( -1.409 -0.711 0.137) 1.584 24.224 ( -0.409 -1.722 1.215) 2.147 24.740 ( 4.313 8.293 -1.189) 9.423 24.991 ( 12.722 -2.519 6.113) 14.337 25.283 ( -3.955 0.120 -2.783) 4.838 25.334 ( -5.625 -2.793 -4.207) 7.559 25.601 ( 7.100 4.326 2.680) 8.735 25.759 ( 9.840 -2.380 0.645) 10.144 26.406 ( -3.529 -0.145 -4.106) 5.416 26.521 ( 0.607 -5.237 -1.080) 5.381 ======================= Grid point 258 (127/136) ======================= q-point: ( 0.18 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 11.437 21.759 -14.863) 28.725 2.377 ( 12.331 12.854 -18.673) 25.806 2.858 ( 13.357 4.765 14.274) 20.121 2.920 ( 6.373 -4.651 15.135) 17.068 3.088 ( 12.838 -7.381 1.647) 14.900 3.432 ( 11.400 -10.663 -8.059) 17.567 3.613 ( 32.285 1.675 3.297) 32.496 3.864 ( 17.814 7.974 -4.511) 20.032 3.878 ( 7.935 -4.763 -2.292) 9.534 4.236 ( 13.083 1.013 0.573) 13.135 4.376 ( 14.713 0.344 7.239) 16.401 4.461 ( 7.329 -3.061 15.943) 17.812 4.846 ( -7.003 12.680 -4.793) 15.258 4.935 ( 10.849 5.222 -0.812) 12.068 5.248 ( -0.208 0.955 -4.250) 4.361 5.404 ( 4.502 5.176 4.722) 8.328 5.534 ( 2.844 -11.695 5.979) 13.439 5.843 ( -5.826 -3.767 5.845) 9.072 5.950 ( -12.141 -12.081 -7.482) 18.690 6.068 ( -8.017 -7.599 -2.058) 11.236 6.736 ( -7.044 12.945 -2.287) 14.914 6.980 ( -1.329 9.891 10.655) 14.599 7.214 ( -10.525 -4.256 1.425) 11.442 7.430 ( -2.713 -7.519 -5.463) 9.682 7.595 ( -2.338 -1.207 -5.387) 5.995 7.706 ( -1.847 -2.422 -0.608) 3.106 8.021 ( 4.514 6.983 -1.524) 8.454 8.094 ( -8.425 1.657 -7.118) 11.153 8.312 ( -0.745 -8.480 1.908) 8.724 8.362 ( -3.780 -5.099 0.157) 6.349 8.878 ( -9.031 4.764 -0.479) 10.221 8.990 ( -1.139 12.722 -2.414) 12.999 9.034 ( -5.920 0.988 -1.887) 6.291 9.576 ( 0.661 2.603 -3.249) 4.215 9.617 ( 1.712 -12.088 -4.165) 12.899 9.881 ( -0.352 -3.253 7.527) 8.208 9.964 ( 5.724 -2.982 0.133) 6.456 10.172 ( 8.606 -3.707 5.963) 11.107 10.267 ( 4.887 0.836 2.279) 5.457 10.440 ( 8.653 3.904 2.402) 9.792 10.762 ( 7.294 -5.617 -2.739) 9.605 10.910 ( 4.815 -10.478 -3.364) 12.013 11.546 ( 12.527 1.878 -2.126) 12.844 11.649 ( -0.722 -1.441 -1.116) 1.960 11.839 ( -3.402 9.156 -9.504) 13.628 12.166 ( -5.467 -4.422 -3.249) 7.746 12.380 ( 1.109 1.111 0.732) 1.732 12.432 ( -0.134 -0.975 0.102) 0.989 13.175 ( -3.041 2.346 2.701) 4.695 13.351 ( -1.364 -5.234 0.486) 5.430 13.709 ( -3.489 11.438 3.563) 12.478 13.912 ( 1.102 0.085 -0.744) 1.333 14.063 ( 2.750 7.501 -1.162) 8.073 14.198 ( 6.683 6.504 -3.440) 9.940 14.523 ( -3.433 0.268 7.837) 8.560 14.578 ( -1.131 -3.152 0.024) 3.349 14.899 ( 1.090 -0.159 -3.568) 3.734 14.982 ( 0.659 -3.822 4.572) 5.995 15.339 ( -11.689 7.078 1.202) 13.718 15.645 ( -5.368 -5.826 -1.823) 8.129 16.390 ( -4.906 6.337 -1.137) 8.094 16.856 ( -4.790 -15.165 2.133) 16.046 22.496 ( 1.378 4.702 -3.613) 6.088 22.556 ( -0.912 5.043 3.714) 6.330 22.982 ( -8.538 0.761 -2.737) 8.998 23.171 ( -9.240 -5.486 9.139) 14.107 23.969 ( -2.365 0.142 0.083) 2.370 23.984 ( -2.687 -0.428 -0.950) 2.882 24.219 ( 3.823 -0.674 -0.683) 3.941 24.285 ( 4.602 -3.426 1.658) 5.972 24.858 ( 6.582 11.020 3.958) 13.432 25.150 ( -4.672 2.043 -4.429) 6.755 25.212 ( -0.651 -1.617 -6.163) 6.404 25.283 ( 8.418 -8.443 6.962) 13.807 25.812 ( 12.118 4.609 4.860) 13.846 25.926 ( 9.206 -0.660 0.185) 9.231 26.311 ( -1.877 1.214 -4.499) 5.024 26.500 ( -0.231 -6.489 -3.071) 7.183 ======================= Grid point 259 (128/136) ======================= q-point: ( 0.27 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 13.332 19.692 -4.481) 24.199 2.417 ( 13.252 7.537 -15.537) 21.768 3.045 ( -1.738 -3.896 8.983) 9.945 3.127 ( 7.953 1.296 3.201) 8.670 3.378 ( 6.037 -3.132 14.525) 16.038 3.518 ( 5.672 -12.578 -0.348) 13.802 3.902 ( -3.286 -0.754 3.502) 4.861 4.036 ( 13.996 5.985 0.221) 15.223 4.217 ( 16.882 -0.283 0.684) 16.899 4.512 ( 14.363 2.073 -8.535) 16.836 4.634 ( -4.638 12.476 -3.556) 13.777 4.689 ( 20.552 4.256 7.657) 22.341 4.910 ( 21.889 -2.723 7.258) 23.221 5.195 ( 15.314 -1.222 -1.604) 15.446 5.308 ( 8.763 4.240 1.221) 9.811 5.487 ( -6.289 -10.735 3.663) 12.970 5.580 ( 8.937 0.455 1.271) 9.038 5.708 ( -3.844 -6.078 -2.674) 7.673 5.881 ( -0.999 -7.236 7.117) 10.198 5.965 ( 0.133 -6.024 -2.485) 6.518 6.572 ( -5.008 11.357 -8.366) 14.969 6.918 ( -11.710 3.200 3.548) 12.647 7.138 ( -5.154 2.700 6.242) 8.533 7.265 ( -8.486 -4.435 -2.907) 10.006 7.595 ( 6.647 4.907 -2.839) 8.736 7.737 ( 4.270 -1.670 -1.080) 4.711 7.890 ( -6.766 -1.267 -4.022) 7.972 8.036 ( -3.002 2.179 -3.442) 5.060 8.238 ( -0.043 -2.825 0.127) 2.829 8.400 ( 3.087 -6.178 -1.214) 7.012 8.717 ( -10.801 4.188 4.308) 12.359 8.899 ( -9.046 -0.492 0.829) 9.097 8.985 ( -0.141 14.248 0.067) 14.249 9.532 ( 2.842 -1.403 -10.433) 10.904 9.551 ( -6.344 0.212 -0.190) 6.351 9.931 ( -2.721 -10.535 6.050) 12.449 10.115 ( 9.100 -2.834 2.395) 9.827 10.341 ( 4.469 -13.807 2.199) 14.678 10.381 ( 6.298 6.081 2.028) 8.986 10.637 ( 9.106 5.388 4.241) 11.399 10.778 ( -1.185 -7.779 -3.572) 8.641 10.972 ( 3.078 -6.735 0.416) 7.417 11.512 ( -4.352 2.304 -4.463) 6.646 11.609 ( 0.592 7.361 -14.587) 16.350 11.738 ( -2.581 -3.177 -2.652) 4.877 12.098 ( 1.569 -9.036 -6.323) 11.140 12.369 ( 2.612 8.132 4.053) 9.454 12.611 ( 13.298 -2.261 2.380) 13.697 13.175 ( -0.913 2.993 3.801) 4.924 13.329 ( -2.999 -2.371 2.235) 4.428 13.670 ( -3.164 10.025 -1.109) 10.571 13.880 ( -4.923 0.195 -3.382) 5.975 14.038 ( 1.230 10.462 -0.426) 10.542 14.303 ( 3.208 5.393 4.633) 7.800 14.511 ( -5.195 -2.525 7.718) 9.640 14.609 ( 1.074 -7.815 2.004) 8.139 14.871 ( 1.000 3.038 -5.214) 6.117 15.035 ( 1.042 -4.396 -0.929) 4.613 15.229 ( -4.128 7.506 7.030) 11.081 15.564 ( -2.745 -7.112 0.072) 7.624 16.280 ( -6.549 6.524 -1.037) 9.302 16.703 ( -10.322 -12.983 -4.920) 17.301 22.488 ( 1.597 4.187 -3.019) 5.403 22.586 ( 0.320 4.137 3.353) 5.335 22.805 ( -7.941 1.734 -3.180) 8.728 23.084 ( -10.502 -6.990 7.470) 14.662 23.938 ( -1.384 -0.205 0.847) 1.635 23.947 ( -1.168 -0.539 0.775) 1.502 24.283 ( 4.588 -0.059 -2.151) 5.068 24.376 ( 4.410 -4.378 0.370) 6.225 24.961 ( -1.075 5.076 -2.008) 5.564 25.007 ( -5.149 3.317 -0.070) 6.125 25.208 ( 5.896 3.133 -1.356) 6.813 25.458 ( 5.549 -5.616 2.885) 8.406 26.040 ( 8.206 2.552 2.010) 8.826 26.088 ( 8.166 2.676 2.158) 8.860 26.278 ( 1.750 -2.132 -0.416) 2.790 26.466 ( 0.754 -6.400 -3.907) 7.536 ======================= Grid point 260 (129/136) ======================= q-point: ( 0.36 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 16.381 13.785 2.430) 21.547 2.539 ( 14.770 0.758 -7.871) 16.753 3.055 ( -5.738 4.826 6.024) 9.618 3.242 ( 5.922 -1.293 0.050) 6.062 3.531 ( 0.424 -6.289 3.592) 7.255 3.619 ( -0.457 -7.293 3.134) 7.951 3.845 ( -5.968 3.592 5.560) 8.912 4.156 ( -3.517 -4.695 5.683) 8.168 4.397 ( -3.363 10.281 0.092) 10.817 4.433 ( 11.104 8.014 -0.380) 13.699 4.714 ( 3.819 -2.712 -3.094) 5.613 5.004 ( 1.012 -9.043 -6.470) 11.165 5.201 ( 17.214 5.496 2.943) 18.308 5.294 ( -0.810 -2.677 0.979) 2.963 5.527 ( 11.487 -2.496 -0.191) 11.757 5.597 ( -4.553 -2.906 0.370) 5.414 5.677 ( 12.149 -2.464 3.641) 12.920 5.751 ( 5.389 -6.888 3.807) 9.538 6.003 ( 17.220 2.977 -0.298) 17.478 6.122 ( 14.602 -0.339 2.982) 14.908 6.459 ( 2.826 6.808 -7.252) 10.341 6.753 ( -6.581 -4.532 -4.073) 8.969 7.103 ( -7.442 5.115 10.965) 14.205 7.148 ( -1.048 9.344 -3.596) 10.067 7.698 ( 5.457 5.053 -0.489) 7.453 7.801 ( -2.082 -5.684 1.929) 6.353 7.804 ( 3.613 0.412 -2.388) 4.351 7.915 ( -3.644 -3.004 -4.192) 6.315 8.284 ( 3.988 0.683 -2.792) 4.916 8.412 ( 1.911 -3.549 -3.989) 5.671 8.586 ( -12.062 0.349 6.717) 13.810 8.714 ( -16.443 -2.817 7.103) 18.132 8.996 ( 1.158 13.989 0.573) 14.049 9.348 ( -5.787 -1.695 -12.413) 13.800 9.564 ( 2.953 7.141 2.968) 8.278 9.922 ( -3.928 -10.662 3.568) 11.910 10.256 ( 5.384 -3.678 -0.262) 6.525 10.405 ( 4.947 -14.492 -3.430) 15.692 10.486 ( 2.456 -0.325 2.741) 3.695 10.691 ( -5.976 -3.423 -1.005) 6.960 10.800 ( 4.767 5.834 4.141) 8.597 10.985 ( -0.951 -0.489 0.732) 1.296 11.421 ( -4.352 -1.543 -3.101) 5.562 11.455 ( -1.452 4.729 -12.320) 13.276 11.670 ( 0.134 -8.570 0.693) 8.599 12.031 ( 1.041 -14.159 -12.005) 18.593 12.562 ( 10.573 15.753 7.282) 20.321 12.853 ( 10.291 1.510 2.099) 10.611 13.209 ( 1.005 4.058 2.232) 4.739 13.295 ( -3.299 5.005 2.595) 6.532 13.577 ( -3.610 4.497 -4.766) 7.481 13.713 ( -7.988 2.303 -3.765) 9.126 14.131 ( 4.656 3.329 5.893) 8.215 14.381 ( -0.837 2.055 6.618) 6.980 14.519 ( -1.993 -4.773 5.062) 7.237 14.626 ( -2.037 -5.045 4.045) 6.780 14.834 ( 1.335 4.468 -5.947) 7.558 14.980 ( -2.313 -1.204 -4.979) 5.620 15.328 ( 4.145 3.250 8.068) 9.635 15.548 ( -0.331 -5.386 1.191) 5.526 16.163 ( -6.222 3.668 0.624) 7.250 16.449 ( -9.782 -9.222 -9.319) 16.357 22.493 ( 2.146 3.942 -2.324) 5.055 22.623 ( -2.481 7.479 4.037) 8.854 22.678 ( -0.349 -3.268 -3.840) 5.054 22.968 ( -10.156 -7.108 4.947) 13.347 23.942 ( 0.122 -0.180 1.831) 1.844 23.955 ( 0.190 -0.743 1.833) 1.987 24.324 ( 3.235 0.875 -2.593) 4.237 24.430 ( 2.142 -4.358 -1.617) 5.118 24.843 ( -4.009 3.934 -2.975) 6.356 24.951 ( -3.208 -1.194 -1.877) 3.904 25.347 ( 6.167 5.870 4.554) 9.655 25.537 ( 2.556 -2.424 -0.463) 3.553 26.156 ( 4.480 3.166 0.688) 5.529 26.184 ( 3.646 5.883 -1.619) 7.108 26.356 ( 3.184 -6.689 3.702) 8.281 26.456 ( 1.728 -5.873 -2.376) 6.567 ======================= Grid point 261 (130/136) ======================= q-point: ( 0.45 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( 15.059 7.043 1.222) 16.669 2.670 ( -1.232 -0.886 0.179) 1.528 3.079 ( 8.343 7.437 4.551) 12.068 3.356 ( 4.717 3.722 3.838) 7.130 3.392 ( -15.248 -3.253 -6.019) 16.712 3.498 ( -5.240 -0.117 -5.633) 7.694 3.925 ( 2.947 -2.560 10.778) 11.463 4.078 ( -6.250 -7.069 -2.253) 9.701 4.504 ( 8.786 3.861 7.801) 12.367 4.603 ( 9.476 1.103 -3.491) 10.158 4.690 ( -4.792 -0.404 2.868) 5.599 4.831 ( -8.978 -3.307 -10.693) 14.349 5.311 ( 1.582 2.223 7.671) 8.142 5.424 ( 4.718 -4.826 -1.009) 6.824 5.490 ( -0.074 2.333 -6.603) 7.004 5.575 ( -5.967 -2.895 2.032) 6.936 5.815 ( 3.087 -4.881 5.796) 8.182 5.873 ( 3.189 -7.383 -2.770) 8.506 6.363 ( 18.168 4.039 -2.102) 18.730 6.389 ( 10.260 2.638 2.964) 11.000 6.503 ( 3.990 4.498 -1.135) 6.119 6.616 ( -5.361 -3.060 -4.101) 7.411 7.135 ( -2.609 9.655 10.604) 14.576 7.148 ( 4.520 11.939 -4.306) 13.473 7.729 ( -0.106 0.707 0.013) 0.715 7.774 ( -2.811 0.797 -0.158) 2.926 7.835 ( 2.687 -2.495 -3.284) 4.922 7.852 ( -1.694 -5.394 -0.472) 5.674 8.323 ( 5.041 1.030 -1.798) 5.451 8.394 ( -1.235 -0.242 -2.592) 2.881 8.454 ( -3.259 -2.817 -0.543) 4.342 8.520 ( -14.590 -5.122 8.488) 17.639 9.043 ( 2.745 9.110 2.683) 9.886 9.153 ( -4.340 4.002 -7.794) 9.778 9.696 ( 6.783 4.139 5.417) 9.617 9.853 ( -5.128 -3.912 -3.067) 7.142 10.328 ( 3.376 -2.971 3.044) 5.431 10.439 ( -0.560 -3.575 -5.505) 6.588 10.497 ( 2.427 -16.026 -2.059) 16.339 10.569 ( -7.722 -3.640 3.909) 9.389 10.917 ( 3.394 5.537 5.587) 8.567 10.989 ( 1.704 3.687 -4.215) 5.854 11.307 ( -2.809 -0.213 -2.035) 3.475 11.328 ( -3.493 -2.720 -3.621) 5.719 11.768 ( 4.448 -10.348 6.568) 13.039 11.909 ( -1.443 -13.419 -11.000) 17.411 12.801 ( 8.530 16.512 5.787) 19.465 12.936 ( -1.789 10.899 -1.357) 11.128 13.247 ( 3.181 5.662 -1.051) 6.579 13.283 ( -1.430 6.786 1.319) 7.060 13.502 ( 0.769 -0.289 -2.139) 2.291 13.567 ( -6.542 0.363 -0.376) 6.563 14.273 ( 5.701 -2.823 3.542) 7.281 14.379 ( -5.175 -4.442 2.266) 7.186 14.555 ( 1.588 0.064 4.156) 4.449 14.621 ( -1.991 -1.536 -0.187) 2.522 14.818 ( 0.835 3.101 1.087) 3.391 14.885 ( -1.748 0.496 -6.244) 6.504 15.474 ( 3.956 0.895 5.459) 6.801 15.548 ( -0.724 -1.851 -1.282) 2.365 16.113 ( -2.070 -1.132 5.506) 5.990 16.219 ( -5.028 -5.597 -9.768) 12.330 22.516 ( 3.001 4.273 -1.720) 5.497 22.563 ( -4.406 5.443 1.320) 7.126 22.733 ( 6.338 -4.109 -1.248) 7.656 22.843 ( -8.636 -5.815 2.630) 10.739 23.968 ( 0.662 -0.411 1.246) 1.469 23.975 ( 0.065 -0.722 0.964) 1.206 24.355 ( 2.502 1.005 -0.359) 2.720 24.407 ( -1.622 -1.269 -2.802) 3.477 24.810 ( 0.622 0.829 1.754) 2.037 24.870 ( -2.837 -1.835 -3.097) 4.583 25.474 ( 3.121 3.483 4.552) 6.527 25.540 ( -0.188 0.501 -2.868) 2.917 26.209 ( 1.794 4.545 -0.498) 4.912 26.214 ( 0.846 4.408 0.079) 4.489 26.426 ( 2.975 -5.744 0.062) 6.469 26.459 ( -0.975 -5.835 0.475) 5.935 ======================= Grid point 267 (131/136) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( -0.000 0.000 0.000) 0.000 1.924 ( -0.000 0.000 0.000) 0.000 2.556 ( -0.000 0.000 -0.000) 0.000 2.556 ( -0.000 0.000 0.000) 0.000 3.040 ( -0.000 0.000 -0.000) 0.000 3.040 ( 0.000 0.000 0.000) 0.000 3.131 ( -0.000 -0.000 0.000) 0.000 3.131 ( -0.000 -0.000 0.000) 0.000 3.985 ( 0.000 0.000 0.000) 0.000 3.985 ( -0.000 0.000 0.000) 0.000 4.183 ( 0.000 0.000 0.000) 0.000 4.183 ( -0.000 0.000 0.000) 0.000 5.020 ( -0.000 -0.000 0.000) 0.000 5.020 ( 0.000 0.000 0.000) 0.000 5.095 ( 0.000 -0.000 0.000) 0.000 5.095 ( -0.000 0.000 -0.000) 0.000 5.652 ( 0.000 0.000 0.000) 0.000 5.652 ( 0.000 0.000 0.000) 0.000 6.442 ( -0.000 0.000 0.000) 0.000 6.442 ( -0.000 0.000 0.000) 0.000 6.810 ( 0.000 0.000 0.000) 0.000 6.810 ( 0.000 0.000 0.000) 0.000 7.302 ( -0.000 0.000 0.000) 0.000 7.302 ( -0.000 0.000 0.000) 0.000 7.905 ( -0.000 0.000 0.000) 0.000 7.905 ( -0.000 0.000 0.000) 0.000 8.042 ( -0.000 0.000 -0.000) 0.000 8.042 ( 0.000 0.000 0.000) 0.000 8.400 ( 0.000 0.000 0.000) 0.000 8.400 ( 0.000 0.000 0.000) 0.000 8.944 ( 0.000 0.000 0.000) 0.000 8.944 ( 0.000 0.000 0.000) 0.000 9.573 ( 0.000 -0.000 -0.000) 0.000 9.573 ( 0.000 -0.000 0.000) 0.000 9.600 ( -0.000 0.000 -0.000) 0.000 9.600 ( -0.000 0.000 0.000) 0.000 9.963 ( -0.000 0.000 0.000) 0.000 9.963 ( -0.000 0.000 0.000) 0.000 10.165 ( -0.000 0.000 0.000) 0.000 10.165 ( 0.000 0.000 0.000) 0.000 10.742 ( -0.000 0.000 0.000) 0.000 10.742 ( 0.000 0.000 0.000) 0.000 11.233 ( -0.000 0.000 0.000) 0.000 11.233 ( -0.000 0.000 0.000) 0.000 12.251 ( 0.000 0.000 0.000) 0.000 12.251 ( -0.000 0.000 0.000) 0.000 12.488 ( -0.000 0.000 0.000) 0.000 12.488 ( -0.000 0.000 0.000) 0.000 13.344 ( 0.000 0.000 0.000) 0.000 13.344 ( -0.000 0.000 0.000) 0.000 13.896 ( -0.000 0.000 -0.000) 0.000 13.896 ( -0.000 0.000 0.000) 0.000 13.938 ( 0.000 -0.000 -0.000) 0.000 13.938 ( -0.000 -0.000 0.000) 0.000 14.665 ( -0.000 0.000 0.000) 0.000 14.665 ( 0.000 0.000 0.000) 0.000 14.842 ( -0.000 0.000 -0.000) 0.000 14.842 ( -0.000 0.000 0.000) 0.000 15.792 ( -0.000 0.000 0.000) 0.000 15.792 ( 0.000 0.000 0.000) 0.000 16.553 ( -0.000 0.000 0.000) 0.000 16.553 ( 0.000 0.000 0.000) 0.000 22.590 ( -0.000 0.000 -0.000) 0.000 22.590 ( -0.000 0.000 0.000) 0.000 23.171 ( 0.000 0.000 -0.000) 0.000 23.171 ( -0.000 0.000 0.000) 0.000 23.998 ( -0.000 0.000 0.000) 0.000 23.998 ( -0.000 0.000 0.000) 0.000 24.222 ( -0.000 0.000 0.000) 0.000 24.222 ( -0.000 0.000 0.000) 0.000 24.807 ( 0.000 0.000 0.000) 0.000 24.807 ( 0.000 0.000 0.000) 0.000 25.387 ( -0.000 0.000 0.000) 0.000 25.387 ( -0.000 0.000 0.000) 0.000 25.567 ( -0.000 0.000 0.000) 0.000 25.567 ( 0.000 0.000 0.000) 0.000 26.461 ( -0.000 0.000 0.000) 0.000 26.461 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 271 (132/136) ======================= q-point: ( 0.09 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 21.416 -14.660 -7.800) 27.100 2.129 ( 21.416 14.660 -7.800) 27.100 2.620 ( 8.152 -3.595 3.229) 9.477 2.620 ( 8.152 3.595 3.229) 9.477 3.016 ( 3.877 -14.889 -2.207) 15.544 3.016 ( 3.877 14.889 -2.207) 15.544 3.354 ( 16.733 -13.327 4.297) 21.819 3.354 ( 16.733 13.327 4.297) 21.819 4.015 ( 7.645 -10.995 -5.540) 14.493 4.015 ( 7.645 10.995 -5.540) 14.493 4.215 ( -0.832 -6.397 8.810) 10.920 4.215 ( -0.832 6.397 8.810) 10.920 4.977 ( 0.848 -4.516 -3.721) 5.913 4.977 ( 0.848 4.516 -3.721) 5.913 5.199 ( 3.500 -5.065 8.322) 10.352 5.199 ( 3.500 5.065 8.322) 10.352 5.644 ( -0.044 -10.147 -2.604) 10.476 5.644 ( -0.044 10.147 -2.604) 10.476 6.228 ( -15.856 -5.243 -4.720) 17.354 6.228 ( -15.856 5.243 -4.720) 17.354 6.945 ( 4.217 -3.177 9.526) 10.892 6.945 ( 4.217 3.177 9.526) 10.892 7.279 ( -0.401 -3.347 -4.251) 5.425 7.279 ( -0.401 3.347 -4.251) 5.425 7.775 ( -9.586 -3.315 -2.660) 10.486 7.775 ( -9.586 3.315 -2.660) 10.486 8.087 ( 2.842 -5.878 0.765) 6.574 8.087 ( 2.842 5.878 0.765) 6.574 8.361 ( -3.289 -4.384 -2.652) 6.089 8.361 ( -3.289 4.384 -2.652) 6.089 8.991 ( 3.554 -2.018 -0.786) 4.161 8.991 ( 3.554 2.018 -0.786) 4.161 9.426 ( -8.765 -10.859 -0.883) 13.983 9.426 ( -8.765 10.859 -0.883) 13.983 9.679 ( 1.511 -9.965 0.132) 10.080 9.679 ( 1.511 9.965 0.132) 10.080 9.932 ( 2.909 -2.725 -0.241) 3.993 9.932 ( 2.909 2.725 -0.241) 3.993 10.276 ( 6.232 -3.669 2.630) 7.695 10.276 ( 6.232 3.669 2.630) 7.695 10.710 ( 1.123 -6.673 -2.777) 7.315 10.710 ( 1.123 6.673 -2.777) 7.315 11.391 ( 12.993 -6.778 1.887) 14.776 11.391 ( 12.993 6.778 1.887) 14.776 12.178 ( -4.701 -7.296 -4.938) 9.985 12.178 ( -4.701 7.296 -4.938) 9.985 12.459 ( -4.310 -4.485 1.581) 6.418 12.459 ( -4.310 4.485 1.581) 6.418 13.300 ( -3.810 -3.936 -0.067) 5.478 13.300 ( -3.810 3.936 -0.067) 5.478 13.866 ( -1.395 -3.717 1.501) 4.245 13.866 ( -1.395 3.717 1.501) 4.245 14.061 ( 10.340 -5.286 -0.846) 11.644 14.061 ( 10.340 5.286 -0.846) 11.644 14.618 ( -4.737 -3.647 -0.140) 5.980 14.618 ( -4.737 3.647 -0.140) 5.980 14.872 ( 1.915 -2.095 1.550) 3.234 14.872 ( 1.915 2.095 1.550) 3.234 15.684 ( -9.346 -5.309 -2.338) 11.000 15.684 ( -9.346 5.309 -2.338) 11.000 16.586 ( 0.689 -8.752 2.499) 9.128 16.586 ( 0.689 8.752 2.499) 9.128 22.585 ( 0.129 -1.289 -1.043) 1.663 22.585 ( 0.129 1.289 -1.043) 1.663 23.143 ( -5.808 -2.642 3.994) 7.527 23.143 ( -5.808 2.642 3.994) 7.527 24.008 ( 0.132 -0.827 -0.136) 0.849 24.008 ( 0.132 0.827 -0.136) 0.849 24.198 ( -1.126 -0.773 0.173) 1.377 24.198 ( -1.126 0.773 0.173) 1.377 24.896 ( 7.942 -6.765 2.604) 10.753 24.896 ( 7.942 6.765 2.604) 10.753 25.295 ( -5.023 -1.181 -3.737) 6.371 25.295 ( -5.023 1.181 -3.737) 6.371 25.691 ( 9.832 -4.310 1.728) 10.874 25.691 ( 9.832 4.310 1.728) 10.874 26.435 ( -1.589 -3.017 -2.165) 4.039 26.435 ( -1.589 3.017 -2.165) 4.039 ======================= Grid point 273 (133/136) ======================= q-point: ( 0.18 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 10.066 -20.091 -12.871) 25.896 2.278 ( 10.066 20.091 -12.871) 25.896 2.931 ( 14.480 -4.216 7.103) 16.671 2.931 ( 14.480 4.216 7.103) 16.671 3.115 ( 7.334 -11.970 3.491) 14.466 3.115 ( 7.334 11.970 3.491) 14.466 3.716 ( 20.389 -6.954 1.450) 21.591 3.716 ( 20.389 6.954 1.450) 21.591 4.149 ( 16.018 -12.261 -8.560) 21.914 4.149 ( 16.018 12.261 -8.560) 21.914 4.389 ( 9.508 -2.654 14.425) 17.479 4.389 ( 9.507 2.654 14.425) 17.479 5.012 ( 7.279 -1.328 -3.295) 8.100 5.012 ( 7.279 1.328 -3.295) 8.100 5.305 ( -2.362 -8.595 5.859) 10.667 5.305 ( -2.362 8.595 5.859) 10.667 5.598 ( -1.010 -13.314 -1.361) 13.421 5.598 ( -1.010 13.314 -1.361) 13.421 5.937 ( -11.511 -5.479 -2.312) 12.957 5.937 ( -11.511 5.479 -2.312) 12.957 7.022 ( -5.684 -13.195 2.374) 14.561 7.022 ( -5.684 13.195 2.374) 14.561 7.209 ( -3.249 -11.772 0.135) 12.213 7.209 ( -3.249 11.772 0.135) 12.213 7.639 ( -1.671 -3.969 -1.379) 4.522 7.639 ( -1.671 3.969 -1.379) 4.522 8.118 ( -0.617 -5.649 -4.221) 7.079 8.118 ( -0.617 5.649 -4.221) 7.079 8.254 ( -4.073 -5.384 0.501) 6.769 8.254 ( -4.073 5.384 0.501) 6.769 8.965 ( -3.916 -4.779 -4.678) 7.750 8.965 ( -3.916 4.779 -4.678) 7.750 9.317 ( -1.685 -16.344 -0.861) 16.453 9.317 ( -1.685 16.344 -0.861) 16.453 9.712 ( 0.685 -9.418 2.375) 9.737 9.712 ( 0.685 9.418 2.375) 9.737 10.027 ( 3.820 -6.525 4.119) 8.609 10.027 ( 3.820 6.525 4.119) 8.609 10.415 ( 8.136 -7.084 2.338) 11.038 10.415 ( 8.136 7.084 2.338) 11.038 10.745 ( 4.903 -4.859 -2.765) 7.436 10.745 ( 4.903 4.859 -2.765) 7.436 11.593 ( 8.208 -2.938 -2.259) 9.006 11.593 ( 8.208 2.938 -2.259) 9.006 12.030 ( -4.509 -8.803 -7.728) 12.552 12.030 ( -4.509 8.803 -7.728) 12.552 12.409 ( -1.704 -1.385 2.769) 3.534 12.409 ( -1.704 1.385 2.769) 3.534 13.251 ( -2.505 -4.739 1.876) 5.679 13.251 ( -2.505 4.739 1.876) 5.679 13.868 ( -0.498 -4.660 0.722) 4.741 13.868 ( -0.498 4.660 0.722) 4.741 14.216 ( 8.313 -5.556 -2.356) 10.273 14.216 ( 8.313 5.556 -2.356) 10.273 14.526 ( -6.427 -2.306 2.659) 7.328 14.526 ( -6.427 2.306 2.659) 7.328 14.919 ( 1.958 -2.224 0.777) 3.063 14.919 ( 1.958 2.224 0.777) 3.063 15.498 ( -9.225 -8.310 -0.334) 12.420 15.498 ( -9.225 8.310 -0.334) 12.420 16.577 ( -4.030 -12.127 0.376) 12.785 16.577 ( -4.030 12.127 0.376) 12.785 22.576 ( 0.619 -2.521 -1.873) 3.201 22.576 ( 0.619 2.521 -1.873) 3.201 23.053 ( -9.956 -5.711 5.366) 12.669 23.053 ( -9.956 5.711 5.366) 12.669 23.975 ( -2.691 -0.394 -0.512) 2.768 23.975 ( -2.691 0.394 -0.512) 2.768 24.231 ( 4.063 -1.802 0.256) 4.452 24.231 ( 4.063 1.802 0.256) 4.452 25.073 ( 5.187 -10.211 3.470) 11.967 25.073 ( 5.187 10.211 3.470) 11.967 25.194 ( -0.100 -1.714 -2.581) 3.100 25.194 ( -0.100 1.714 -2.581) 3.100 25.891 ( 11.234 -2.992 1.428) 11.713 25.891 ( 11.234 2.992 1.428) 11.713 26.377 ( -1.460 -5.214 -3.401) 6.394 26.377 ( -1.460 5.214 -3.401) 6.394 ======================= Grid point 275 (134/136) ======================= q-point: ( 0.27 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 8.730 -16.144 -7.201) 19.716 2.325 ( 8.730 16.144 -7.201) 19.716 3.092 ( 7.197 -9.028 -4.232) 12.297 3.092 ( 7.197 9.028 -4.232) 12.297 3.343 ( 4.922 -3.879 13.657) 15.027 3.343 ( 4.922 3.879 13.657) 15.027 3.957 ( 1.372 -5.999 7.753) 9.898 3.957 ( 1.372 5.999 7.753) 9.898 4.404 ( 21.156 -10.395 -9.125) 25.276 4.404 ( 21.156 10.395 -9.125) 25.276 4.776 ( 17.473 -4.204 4.767) 18.593 4.776 ( 17.473 4.204 4.767) 18.593 5.027 ( -3.448 -15.858 -0.386) 16.233 5.027 ( -3.448 15.858 -0.386) 16.233 5.358 ( 11.844 -1.874 2.016) 12.160 5.358 ( 11.844 1.874 2.016) 12.160 5.607 ( -1.161 -3.194 1.743) 3.819 5.607 ( -1.161 3.194 1.743) 3.819 5.856 ( 3.839 -3.444 1.393) 5.342 5.856 ( 3.839 3.444 1.393) 5.342 6.818 ( -10.136 -11.567 -8.230) 17.443 6.818 ( -10.136 11.567 -8.230) 17.443 7.203 ( -3.794 -4.756 7.891) 9.964 7.203 ( -3.794 4.756 7.891) 9.964 7.672 ( 3.749 -3.527 0.669) 5.191 7.672 ( 3.749 3.527 0.669) 5.191 7.959 ( -5.777 -6.948 -7.978) 12.054 7.959 ( -5.777 6.948 -7.978) 12.054 8.289 ( 3.643 -5.303 0.808) 6.484 8.289 ( 3.643 5.303 0.808) 6.484 8.815 ( -10.291 -5.763 0.782) 11.821 8.815 ( -10.291 5.763 0.782) 11.821 9.306 ( 0.843 -15.273 -2.982) 15.585 9.306 ( 0.843 15.273 -2.982) 15.585 9.721 ( -3.197 -9.976 4.109) 11.252 9.721 ( -3.197 9.976 4.109) 11.252 10.124 ( 3.937 -6.079 1.612) 7.420 10.124 ( 3.937 6.079 1.612) 7.420 10.557 ( 4.842 -9.439 0.741) 10.634 10.557 ( 4.842 9.439 0.741) 10.634 10.824 ( 5.897 -7.729 1.297) 9.808 10.824 ( 5.897 7.729 1.297) 9.808 11.579 ( -3.479 -4.419 -6.464) 8.568 11.579 ( -3.479 4.419 -6.464) 8.568 11.880 ( -2.574 -11.452 -10.045) 15.449 11.880 ( -2.574 11.452 -10.045) 15.449 12.524 ( 10.288 -6.303 4.961) 13.046 12.524 ( 10.288 6.303 4.961) 13.046 13.254 ( -0.629 -4.438 3.883) 5.930 13.254 ( -0.629 4.438 3.883) 5.930 13.830 ( -3.605 -5.208 -2.884) 6.959 13.830 ( -3.605 5.208 -2.884) 6.959 14.267 ( 0.534 -10.420 -0.899) 10.472 14.267 ( 0.534 10.420 -0.899) 10.472 14.495 ( -2.255 -3.886 6.043) 7.530 14.495 ( -2.255 3.886 6.043) 7.530 14.945 ( 1.770 -4.313 -2.493) 5.287 14.945 ( 1.770 4.313 -2.493) 5.287 15.398 ( -4.052 -8.967 3.748) 10.530 15.398 ( -4.052 8.967 3.748) 10.530 16.458 ( -7.783 -11.016 -3.095) 13.839 16.458 ( -7.783 11.016 -3.095) 13.839 22.572 ( 1.501 -3.743 -2.571) 4.782 22.572 ( 1.501 3.743 -2.571) 4.782 22.926 ( -10.544 -8.373 5.111) 14.402 22.926 ( -10.544 8.373 5.111) 14.402 23.939 ( -1.294 -0.261 0.702) 1.495 23.939 ( -1.294 0.261 0.702) 1.495 24.307 ( 4.510 -2.412 -0.810) 5.179 24.307 ( 4.510 2.412 -0.810) 5.179 25.024 ( -4.629 -1.438 -3.619) 6.049 25.024 ( -4.629 1.438 -3.619) 6.049 25.323 ( 7.218 -7.310 4.624) 11.265 25.323 ( 7.218 7.310 4.624) 11.265 26.087 ( 9.423 -2.147 1.792) 9.829 26.087 ( 9.423 2.147 1.792) 9.829 26.331 ( 0.391 -6.284 -3.421) 7.165 26.331 ( 0.391 6.284 -3.421) 7.165 ======================= Grid point 277 (135/136) ======================= q-point: ( 0.36 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( 10.541 -9.944 -1.087) 14.532 2.450 ( 10.541 9.944 -1.087) 14.532 3.173 ( 5.487 -5.761 -1.085) 8.029 3.173 ( 5.487 5.761 -1.085) 8.029 3.488 ( 1.279 -3.574 3.833) 5.395 3.488 ( 1.279 3.574 3.833) 5.395 3.980 ( -7.354 -9.536 8.991) 15.029 3.980 ( -7.354 9.536 8.991) 15.029 4.563 ( 3.614 -4.614 -2.594) 6.409 4.563 ( 3.614 4.614 -2.594) 6.409 4.760 ( -1.047 -12.224 -4.418) 13.040 4.760 ( -1.047 12.224 -4.418) 13.040 5.277 ( 13.220 -0.763 0.263) 13.244 5.277 ( 13.220 0.763 0.263) 13.244 5.525 ( 1.667 -3.110 3.991) 5.327 5.525 ( 1.667 3.110 3.991) 5.327 5.661 ( 5.618 -1.900 2.732) 6.530 5.661 ( 5.618 1.900 2.732) 6.530 6.078 ( 19.728 -3.644 0.843) 20.079 6.078 ( 19.728 3.644 0.843) 20.079 6.616 ( -2.515 -8.105 -7.680) 11.445 6.616 ( -2.515 8.105 -7.680) 11.445 7.221 ( -2.628 -3.486 7.403) 8.594 7.221 ( -2.628 3.486 7.403) 8.594 7.724 ( -0.305 -1.948 2.366) 3.080 7.724 ( -0.305 1.948 2.366) 3.080 7.845 ( 1.857 -3.891 -7.672) 8.801 7.845 ( 1.857 3.891 -7.672) 8.801 8.340 ( 3.893 -3.730 -4.164) 6.813 8.340 ( 3.893 3.730 -4.164) 6.813 8.634 ( -15.590 -4.135 7.325) 17.714 8.634 ( -15.590 4.135 7.325) 17.714 9.259 ( -1.068 -9.802 -5.513) 11.297 9.259 ( -1.068 9.802 -5.513) 11.297 9.715 ( -2.786 -8.825 6.245) 11.164 9.715 ( -2.786 8.825 6.245) 11.164 10.192 ( 5.188 -4.350 -2.555) 7.236 10.192 ( 5.188 4.350 -2.555) 7.236 10.598 ( -1.717 -6.610 1.048) 6.910 10.598 ( -1.717 6.610 1.048) 6.910 10.930 ( 2.777 -5.454 3.758) 7.182 10.930 ( 2.777 5.454 3.758) 7.182 11.437 ( -3.792 -3.996 -6.413) 8.455 11.437 ( -3.792 3.996 -6.413) 8.455 11.746 ( -0.768 -13.102 -9.786) 16.372 11.746 ( -0.768 13.102 -9.786) 16.372 12.791 ( 12.864 -7.239 5.118) 15.623 12.791 ( 12.864 7.239 5.118) 15.623 13.296 ( 1.001 -3.700 3.450) 5.157 13.296 ( 1.001 3.700 3.450) 5.157 13.689 ( -7.369 -4.578 -4.580) 9.810 13.689 ( -7.369 4.578 -4.580) 9.810 14.270 ( -0.869 -9.569 2.433) 9.912 14.270 ( -0.869 9.569 2.433) 9.912 14.534 ( -0.857 -4.313 6.297) 7.680 14.534 ( -0.857 4.313 6.297) 7.680 14.924 ( 0.579 -4.087 -5.578) 6.940 14.924 ( 0.579 4.087 -5.578) 6.940 15.427 ( 0.894 -6.165 5.939) 8.607 15.427 ( 0.894 6.165 5.939) 8.607 16.277 ( -7.816 -7.566 -4.879) 11.922 16.277 ( -7.816 7.566 -4.879) 11.922 22.579 ( 2.699 -4.629 -2.938) 6.111 22.579 ( 2.699 4.629 -2.938) 6.111 22.807 ( -8.723 -8.773 4.439) 13.144 22.807 ( -8.723 8.773 4.439) 13.144 23.944 ( 0.176 -0.376 1.709) 1.759 23.944 ( 0.176 0.376 1.709) 1.759 24.360 ( 3.052 -2.684 -1.634) 4.380 24.360 ( 3.052 2.684 -1.634) 4.380 24.910 ( -4.181 -2.774 -3.181) 5.941 24.910 ( -4.181 2.774 -3.181) 5.941 25.462 ( 4.113 -5.102 3.298) 7.337 25.462 ( 4.113 5.102 3.298) 7.337 26.233 ( 5.126 -4.831 1.963) 7.313 26.233 ( 5.126 4.831 1.963) 7.313 26.323 ( 2.180 -6.989 -2.726) 7.813 26.323 ( 2.180 6.989 -2.726) 7.813 ======================= Grid point 279 (136/136) ======================= q-point: ( 0.45 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( 6.917 -4.676 1.068) 8.418 2.620 ( 6.917 4.676 1.068) 8.418 3.230 ( 0.090 -7.677 1.624) 7.848 3.230 ( 0.090 7.677 1.624) 7.848 3.483 ( 0.270 -3.039 -3.651) 4.758 3.483 ( 0.270 3.039 -3.651) 4.758 3.926 ( -5.208 -5.046 4.561) 8.566 3.926 ( -5.208 5.046 4.561) 8.566 4.597 ( 1.719 -4.362 3.876) 6.083 4.597 ( 1.719 4.362 3.876) 6.083 4.731 ( 0.321 -5.359 -5.282) 7.531 4.731 ( 0.321 5.359 -5.282) 7.531 5.357 ( 1.116 -2.652 0.532) 2.926 5.357 ( 1.116 2.652 0.532) 2.926 5.541 ( -2.609 -1.902 0.433) 3.258 5.541 ( -2.609 1.902 0.433) 3.258 5.767 ( 3.572 -1.630 0.918) 4.032 5.767 ( 3.572 1.630 0.918) 4.032 6.413 ( 13.339 -0.696 0.813) 13.382 6.413 ( 13.339 0.696 0.813) 13.382 6.567 ( 1.078 -2.232 -3.443) 4.243 6.567 ( 1.078 2.232 -3.443) 4.243 7.284 ( 1.954 -1.738 5.484) 6.076 7.284 ( 1.954 1.738 5.484) 6.076 7.708 ( -2.534 -3.254 -0.503) 4.154 7.708 ( -2.534 3.254 -0.503) 4.154 7.815 ( 0.798 -1.338 -3.938) 4.235 7.815 ( 0.798 1.338 -3.938) 4.235 8.359 ( 5.465 -2.324 -5.179) 7.880 8.359 ( 5.465 2.324 -5.179) 7.880 8.456 ( -12.655 -1.796 6.969) 14.558 8.456 ( -12.655 1.796 6.969) 14.558 9.195 ( -0.661 -3.002 -2.697) 4.090 9.195 ( -0.661 3.002 -2.697) 4.090 9.747 ( -0.157 -3.490 3.433) 4.898 9.747 ( -0.157 3.490 3.433) 4.898 10.281 ( 8.453 -4.832 -2.462) 10.043 10.281 ( 8.453 4.832 -2.462) 10.043 10.487 ( -10.661 -5.110 1.204) 11.883 10.487 ( -10.661 5.110 1.204) 11.883 11.034 ( 4.869 -2.498 3.203) 6.341 11.034 ( 4.869 2.498 3.203) 6.341 11.311 ( -4.229 -1.017 -4.758) 6.446 11.311 ( -4.229 1.017 -4.758) 6.446 11.687 ( 1.230 -5.350 -3.358) 6.435 11.687 ( 1.230 5.350 -3.358) 6.435 12.999 ( 5.310 -3.423 2.749) 6.890 12.999 ( 5.310 3.423 2.749) 6.890 13.357 ( 3.604 -3.108 0.569) 4.794 13.357 ( 3.604 3.108 0.569) 4.794 13.529 ( -6.439 -3.765 -1.781) 7.669 13.529 ( -6.439 3.765 -1.781) 7.669 14.275 ( -0.676 -3.676 1.109) 3.899 14.275 ( -0.676 3.676 1.109) 3.899 14.584 ( 0.047 -2.049 3.952) 4.452 14.584 ( 0.047 2.049 3.952) 4.452 14.872 ( -0.215 -1.877 -3.774) 4.221 14.872 ( -0.215 1.877 -3.774) 4.221 15.505 ( 1.519 -2.154 3.231) 4.170 15.505 ( 1.519 2.154 3.231) 4.170 16.129 ( -3.678 -2.873 -2.827) 5.456 16.129 ( -3.678 2.873 -2.827) 5.456 22.603 ( 2.585 -3.549 -2.052) 4.847 22.603 ( 2.585 3.549 -2.052) 4.847 22.724 ( -4.656 -5.194 2.561) 7.431 22.724 ( -4.656 5.194 2.561) 7.431 23.966 ( 0.358 -0.197 1.012) 1.091 23.966 ( 0.358 0.197 1.012) 1.091 24.380 ( 0.991 -1.396 -1.010) 1.988 24.380 ( 0.991 1.396 -1.010) 1.988 24.835 ( -1.709 -1.610 -1.181) 2.629 24.835 ( -1.709 1.610 -1.181) 2.629 25.529 ( 1.289 -1.728 1.125) 2.432 25.529 ( 1.289 1.728 1.125) 2.432 26.298 ( 1.145 -3.160 0.781) 3.450 26.298 ( 1.145 3.160 0.781) 3.450 26.341 ( 1.540 -3.981 -0.991) 4.382 26.341 ( 1.540 3.981 -0.991) 4.382 =================== 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 3/30888 10.0 2388.877 1776.197 1630.204 0.000 180.106 0.000 3/30888 20.0 631.146 545.210 507.225 0.000 -11.727 0.000 3/30888 30.0 282.478 212.759 220.505 0.000 -14.333 0.000 3/30888 40.0 162.361 110.627 119.967 0.000 -9.016 0.000 3/30888 50.0 106.319 67.490 74.454 0.000 -5.548 0.000 3/30888 60.0 75.430 45.608 50.629 0.000 -3.599 0.000 3/30888 70.0 56.607 33.127 36.854 0.000 -2.488 0.000 3/30888 80.0 44.334 25.387 28.263 0.000 -1.821 0.000 3/30888 90.0 35.915 20.274 22.572 0.000 -1.397 0.000 3/30888 100.0 29.902 16.721 18.614 0.000 -1.114 0.000 3/30888 110.0 25.459 14.150 15.747 0.000 -0.916 0.000 3/30888 120.0 22.082 12.225 13.600 0.000 -0.771 0.000 3/30888 130.0 19.450 10.743 11.945 0.000 -0.663 0.000 3/30888 140.0 17.354 9.572 10.638 0.000 -0.580 0.000 3/30888 150.0 15.654 8.629 9.584 0.000 -0.514 0.000 3/30888 160.0 14.251 7.854 8.720 0.000 -0.461 0.000 3/30888 170.0 13.078 7.209 7.999 0.000 -0.417 0.000 3/30888 180.0 12.083 6.663 7.389 0.000 -0.381 0.000 3/30888 190.0 11.230 6.196 6.868 0.000 -0.350 0.000 3/30888 200.0 10.491 5.791 6.417 0.000 -0.324 0.000 3/30888 210.0 9.846 5.439 6.023 0.000 -0.302 0.000 3/30888 220.0 9.277 5.128 5.676 0.000 -0.282 0.000 3/30888 230.0 8.772 4.852 5.369 0.000 -0.264 0.000 3/30888 240.0 8.321 4.606 5.094 0.000 -0.249 0.000 3/30888 250.0 7.916 4.384 4.847 0.000 -0.235 0.000 3/30888 260.0 7.550 4.184 4.624 0.000 -0.223 0.000 3/30888 270.0 7.217 4.002 4.422 0.000 -0.212 0.000 3/30888 280.0 6.914 3.836 4.237 0.000 -0.202 0.000 3/30888 290.0 6.636 3.684 4.068 0.000 -0.193 0.000 3/30888 300.0 6.380 3.544 3.912 0.000 -0.184 0.000 3/30888 310.0 6.144 3.414 3.768 0.000 -0.177 0.000 3/30888 320.0 5.926 3.295 3.635 0.000 -0.170 0.000 3/30888 330.0 5.723 3.183 3.512 0.000 -0.163 0.000 3/30888 340.0 5.534 3.080 3.397 0.000 -0.157 0.000 3/30888 350.0 5.358 2.983 3.289 0.000 -0.151 0.000 3/30888 360.0 5.192 2.892 3.188 0.000 -0.146 0.000 3/30888 370.0 5.038 2.807 3.094 0.000 -0.141 0.000 3/30888 380.0 4.892 2.727 3.005 0.000 -0.137 0.000 3/30888 390.0 4.755 2.651 2.922 0.000 -0.132 0.000 3/30888 400.0 4.626 2.580 2.843 0.000 -0.128 0.000 3/30888 410.0 4.504 2.513 2.768 0.000 -0.124 0.000 3/30888 420.0 4.388 2.449 2.697 0.000 -0.121 0.000 3/30888 430.0 4.278 2.388 2.630 0.000 -0.118 0.000 3/30888 440.0 4.174 2.331 2.566 0.000 -0.114 0.000 3/30888 450.0 4.075 2.276 2.506 0.000 -0.111 0.000 3/30888 460.0 3.980 2.224 2.448 0.000 -0.108 0.000 3/30888 470.0 3.890 2.174 2.393 0.000 -0.106 0.000 3/30888 480.0 3.804 2.126 2.340 0.000 -0.103 0.000 3/30888 490.0 3.722 2.081 2.290 0.000 -0.101 0.000 3/30888 500.0 3.644 2.037 2.242 0.000 -0.098 0.000 3/30888 510.0 3.569 1.996 2.196 0.000 -0.096 0.000 3/30888 520.0 3.496 1.956 2.152 0.000 -0.094 0.000 3/30888 530.0 3.427 1.917 2.109 0.000 -0.092 0.000 3/30888 540.0 3.361 1.880 2.069 0.000 -0.090 0.000 3/30888 550.0 3.297 1.845 2.029 0.000 -0.088 0.000 3/30888 560.0 3.236 1.811 1.992 0.000 -0.086 0.000 3/30888 570.0 3.176 1.778 1.956 0.000 -0.085 0.000 3/30888 580.0 3.120 1.746 1.921 0.000 -0.083 0.000 3/30888 590.0 3.065 1.716 1.887 0.000 -0.081 0.000 3/30888 600.0 3.012 1.687 1.854 0.000 -0.080 0.000 3/30888 610.0 2.960 1.658 1.823 0.000 -0.078 0.000 3/30888 620.0 2.911 1.631 1.793 0.000 -0.077 0.000 3/30888 630.0 2.863 1.604 1.763 0.000 -0.076 0.000 3/30888 640.0 2.817 1.578 1.735 0.000 -0.074 0.000 3/30888 650.0 2.772 1.553 1.708 0.000 -0.073 0.000 3/30888 660.0 2.729 1.529 1.681 0.000 -0.072 0.000 3/30888 670.0 2.687 1.506 1.655 0.000 -0.071 0.000 3/30888 680.0 2.647 1.483 1.630 0.000 -0.069 0.000 3/30888 690.0 2.607 1.461 1.606 0.000 -0.068 0.000 3/30888 700.0 2.569 1.440 1.583 0.000 -0.067 0.000 3/30888 710.0 2.532 1.419 1.560 0.000 -0.066 0.000 3/30888 720.0 2.496 1.399 1.538 0.000 -0.065 0.000 3/30888 730.0 2.461 1.380 1.516 0.000 -0.064 0.000 3/30888 740.0 2.427 1.361 1.495 0.000 -0.063 0.000 3/30888 750.0 2.394 1.342 1.475 0.000 -0.062 0.000 3/30888 760.0 2.361 1.324 1.455 0.000 -0.061 0.000 3/30888 770.0 2.330 1.307 1.436 0.000 -0.061 0.000 3/30888 780.0 2.300 1.290 1.417 0.000 -0.060 0.000 3/30888 790.0 2.270 1.273 1.399 0.000 -0.059 0.000 3/30888 800.0 2.241 1.257 1.381 0.000 -0.058 0.000 3/30888 810.0 2.213 1.241 1.364 0.000 -0.057 0.000 3/30888 820.0 2.185 1.226 1.347 0.000 -0.057 0.000 3/30888 830.0 2.158 1.211 1.330 0.000 -0.056 0.000 3/30888 840.0 2.132 1.196 1.314 0.000 -0.055 0.000 3/30888 850.0 2.107 1.182 1.299 0.000 -0.054 0.000 3/30888 860.0 2.082 1.168 1.283 0.000 -0.054 0.000 3/30888 870.0 2.058 1.155 1.268 0.000 -0.053 0.000 3/30888 880.0 2.034 1.141 1.254 0.000 -0.052 0.000 3/30888 890.0 2.011 1.128 1.239 0.000 -0.052 0.000 3/30888 900.0 1.988 1.116 1.225 0.000 -0.051 0.000 3/30888 910.0 1.966 1.103 1.212 0.000 -0.051 0.000 3/30888 920.0 1.944 1.091 1.198 0.000 -0.050 0.000 3/30888 930.0 1.923 1.079 1.185 0.000 -0.049 0.000 3/30888 940.0 1.902 1.068 1.173 0.000 -0.049 0.000 3/30888 950.0 1.882 1.056 1.160 0.000 -0.048 0.000 3/30888 960.0 1.862 1.045 1.148 0.000 -0.048 0.000 3/30888 970.0 1.842 1.034 1.136 0.000 -0.047 0.000 3/30888 980.0 1.823 1.024 1.124 0.000 -0.047 0.000 3/30888 990.0 1.805 1.013 1.113 0.000 -0.046 0.000 3/30888 1000.0 1.787 1.003 1.102 0.000 -0.046 0.000 3/30888 Thermal conductivity related properties were written into "kappa-m1166.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:09:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|