----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 01:47:48]------------------------- 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 10.538863390767746 0.000000000000000 0.000000000000000 b 0.000000000000000 6.630709530000000 0.000000000000000 c -3.933230647024550 0.000000000000000 9.981866774424267 Atomic positions (fractional): *1 K 0.94304677300456 0.41325480132353 0.30774726132510 39.098 *2 K 0.83306896578096 0.89828632906840 0.41346955564038 39.098 3 K 0.94304677300456 0.08674519867647 0.80774726132510 39.098 *4 K 0.63310686749254 0.67199553048913 0.11107637434042 39.098 *5 K 0.56556916201377 0.20811396693487 0.20035479879556 39.098 6 K 0.83306896578096 0.60171367093160 0.91346955564038 39.098 7 K 0.63310686749254 0.82800446951087 0.61107637434042 39.098 8 K 0.43443083798623 0.70811396693487 0.29964520120444 39.098 9 K 0.56556916201377 0.29188603306513 0.70035479879556 39.098 10 K 0.36689313250746 0.17199553048913 0.38892362565958 39.098 11 K 0.16693103421904 0.39828632906840 0.08653044435962 39.098 12 K 0.43443083798623 0.79188603306513 0.79964520120444 39.098 13 K 0.36689313250746 0.32800446951087 0.88892362565958 39.098 14 K 0.05695322699544 0.91325480132353 0.19225273867490 39.098 15 K 0.16693103421904 0.10171367093160 0.58653044435962 39.098 16 K 0.05695322699544 0.58674519867647 0.69225273867490 39.098 *17 Ti 0.75609748275627 0.13648789424728 0.00725125909448 47.867 18 Ti 0.75609748275627 0.36351210575272 0.50725125909448 47.867 19 Ti 0.24390251724372 0.63648789424728 0.49274874090552 47.867 20 Ti 0.24390251724372 0.86351210575272 0.99274874090552 47.867 *21 O 0.92356525365191 0.23987412963605 0.03138303472667 15.999 *22 O 0.77089734221434 0.00673389046081 0.16227671025359 15.999 23 O 0.92356525365191 0.26012587036395 0.53138303472667 15.999 *24 O 0.69676590130050 0.53414094753138 0.36094464085647 15.999 25 O 0.77089734221434 0.49326610953919 0.66227671025359 15.999 *26 O 0.63522753256895 0.15243328836347 0.47385633851807 15.999 27 O 0.69676590130050 0.96585905246862 0.86094464085647 15.999 28 O 0.36477246743105 0.65243328836347 0.02614366148193 15.999 29 O 0.63522753256895 0.34756671163653 0.97385633851807 15.999 30 O 0.30323409869950 0.03414094753138 0.13905535914353 15.999 31 O 0.36477246743105 0.84756671163653 0.52614366148193 15.999 32 O 0.22910265778566 0.50673389046080 0.33772328974641 15.999 33 O 0.30323409869950 0.46585905246862 0.63905535914353 15.999 34 O 0.07643474634809 0.73987412963605 0.46861696527333 15.999 35 O 0.22910265778566 0.99326610953920 0.83772328974641 15.999 36 O 0.07643474634809 0.76012587036395 0.96861696527333 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.538863390767746 0.000000000000000 0.000000000000000 b 0.000000000000000 6.630709530000000 0.000000000000000 c -3.933230647024550 0.000000000000000 9.981866774424267 Atomic positions (fractional): *1 K 0.94304677300456 0.41325480132353 0.30774726132510 39.098 > 1 *2 K 0.83306896578096 0.89828632906840 0.41346955564038 39.098 > 2 3 K 0.94304677300456 0.08674519867647 0.80774726132510 39.098 > 3 *4 K 0.63310686749254 0.67199553048913 0.11107637434042 39.098 > 4 *5 K 0.56556916201377 0.20811396693487 0.20035479879556 39.098 > 5 6 K 0.83306896578096 0.60171367093160 0.91346955564038 39.098 > 6 7 K 0.63310686749254 0.82800446951087 0.61107637434042 39.098 > 7 8 K 0.43443083798623 0.70811396693487 0.29964520120444 39.098 > 8 9 K 0.56556916201377 0.29188603306513 0.70035479879556 39.098 > 9 10 K 0.36689313250746 0.17199553048913 0.38892362565958 39.098 > 10 11 K 0.16693103421904 0.39828632906840 0.08653044435962 39.098 > 11 12 K 0.43443083798623 0.79188603306513 0.79964520120444 39.098 > 12 13 K 0.36689313250746 0.32800446951087 0.88892362565958 39.098 > 13 14 K 0.05695322699544 0.91325480132353 0.19225273867490 39.098 > 14 15 K 0.16693103421904 0.10171367093160 0.58653044435962 39.098 > 15 16 K 0.05695322699544 0.58674519867647 0.69225273867490 39.098 > 16 *17 Ti 0.75609748275627 0.13648789424728 0.00725125909448 47.867 > 17 18 Ti 0.75609748275627 0.36351210575272 0.50725125909448 47.867 > 18 19 Ti 0.24390251724372 0.63648789424728 0.49274874090552 47.867 > 19 20 Ti 0.24390251724372 0.86351210575272 0.99274874090552 47.867 > 20 *21 O 0.92356525365191 0.23987412963605 0.03138303472667 15.999 > 21 *22 O 0.77089734221434 0.00673389046081 0.16227671025359 15.999 > 22 23 O 0.92356525365191 0.26012587036395 0.53138303472667 15.999 > 23 *24 O 0.69676590130050 0.53414094753138 0.36094464085647 15.999 > 24 25 O 0.77089734221434 0.49326610953919 0.66227671025359 15.999 > 25 *26 O 0.63522753256895 0.15243328836347 0.47385633851807 15.999 > 26 27 O 0.69676590130050 0.96585905246862 0.86094464085647 15.999 > 27 28 O 0.36477246743105 0.65243328836347 0.02614366148193 15.999 > 28 29 O 0.63522753256895 0.34756671163653 0.97385633851807 15.999 > 29 30 O 0.30323409869950 0.03414094753138 0.13905535914353 15.999 > 30 31 O 0.36477246743105 0.84756671163653 0.52614366148193 15.999 > 31 32 O 0.22910265778566 0.50673389046080 0.33772328974641 15.999 > 32 33 O 0.30323409869950 0.46585905246862 0.63905535914353 15.999 > 33 34 O 0.07643474634809 0.73987412963605 0.46861696527333 15.999 > 34 35 O 0.22910265778566 0.99326610953920 0.83772328974641 15.999 > 35 36 O 0.07643474634809 0.76012587036395 0.96861696527333 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 21.077726781535493 0.000000000000000 0.000000000000000 b 0.000000000000000 13.261419060000000 0.000000000000000 c -3.933230647024550 0.000000000000000 9.981866774424267 Atomic positions (fractional): *1 K 0.47152338650228 0.20662740066177 0.30774726132510 39.098 > 1 2 K 0.97152338650228 0.20662740066177 0.30774726132510 39.098 > 1 3 K 0.47152338650228 0.70662740066177 0.30774726132510 39.098 > 1 4 K 0.97152338650228 0.70662740066177 0.30774726132510 39.098 > 1 *5 K 0.41653448289048 0.44914316453420 0.41346955564038 39.098 > 2 6 K 0.91653448289048 0.44914316453420 0.41346955564038 39.098 > 2 7 K 0.41653448289048 0.94914316453420 0.41346955564038 39.098 > 2 8 K 0.91653448289048 0.94914316453420 0.41346955564038 39.098 > 2 9 K 0.47152338650228 0.04337259933823 0.80774726132510 39.098 > 3 10 K 0.97152338650228 0.04337259933823 0.80774726132510 39.098 > 3 11 K 0.47152338650228 0.54337259933823 0.80774726132510 39.098 > 3 12 K 0.97152338650228 0.54337259933823 0.80774726132510 39.098 > 3 *13 K 0.31655343374627 0.33599776524456 0.11107637434042 39.098 > 4 14 K 0.81655343374627 0.33599776524456 0.11107637434042 39.098 > 4 15 K 0.31655343374627 0.83599776524456 0.11107637434042 39.098 > 4 16 K 0.81655343374627 0.83599776524456 0.11107637434042 39.098 > 4 *17 K 0.28278458100689 0.10405698346744 0.20035479879556 39.098 > 5 18 K 0.78278458100689 0.10405698346744 0.20035479879556 39.098 > 5 19 K 0.28278458100689 0.60405698346744 0.20035479879556 39.098 > 5 20 K 0.78278458100689 0.60405698346744 0.20035479879556 39.098 > 5 21 K 0.41653448289048 0.30085683546580 0.91346955564038 39.098 > 6 22 K 0.91653448289048 0.30085683546580 0.91346955564038 39.098 > 6 23 K 0.41653448289048 0.80085683546580 0.91346955564038 39.098 > 6 24 K 0.91653448289048 0.80085683546580 0.91346955564038 39.098 > 6 25 K 0.31655343374627 0.41400223475544 0.61107637434042 39.098 > 7 26 K 0.81655343374627 0.41400223475544 0.61107637434042 39.098 > 7 27 K 0.31655343374627 0.91400223475544 0.61107637434042 39.098 > 7 28 K 0.81655343374627 0.91400223475544 0.61107637434042 39.098 > 7 29 K 0.21721541899311 0.35405698346744 0.29964520120444 39.098 > 8 30 K 0.71721541899311 0.35405698346744 0.29964520120444 39.098 > 8 31 K 0.21721541899311 0.85405698346744 0.29964520120444 39.098 > 8 32 K 0.71721541899311 0.85405698346744 0.29964520120444 39.098 > 8 33 K 0.28278458100689 0.14594301653256 0.70035479879556 39.098 > 9 34 K 0.78278458100689 0.14594301653256 0.70035479879556 39.098 > 9 35 K 0.28278458100689 0.64594301653256 0.70035479879556 39.098 > 9 36 K 0.78278458100689 0.64594301653256 0.70035479879556 39.098 > 9 37 K 0.18344656625373 0.08599776524456 0.38892362565958 39.098 > 10 38 K 0.68344656625373 0.08599776524456 0.38892362565958 39.098 > 10 39 K 0.18344656625373 0.58599776524456 0.38892362565958 39.098 > 10 40 K 0.68344656625373 0.58599776524456 0.38892362565958 39.098 > 10 41 K 0.08346551710952 0.19914316453420 0.08653044435962 39.098 > 11 42 K 0.58346551710952 0.19914316453420 0.08653044435962 39.098 > 11 43 K 0.08346551710952 0.69914316453420 0.08653044435962 39.098 > 11 44 K 0.58346551710952 0.69914316453420 0.08653044435962 39.098 > 11 45 K 0.21721541899311 0.39594301653256 0.79964520120444 39.098 > 12 46 K 0.71721541899311 0.39594301653256 0.79964520120444 39.098 > 12 47 K 0.21721541899311 0.89594301653256 0.79964520120444 39.098 > 12 48 K 0.71721541899311 0.89594301653256 0.79964520120444 39.098 > 12 49 K 0.18344656625373 0.16400223475544 0.88892362565958 39.098 > 13 50 K 0.68344656625373 0.16400223475544 0.88892362565958 39.098 > 13 51 K 0.18344656625373 0.66400223475544 0.88892362565958 39.098 > 13 52 K 0.68344656625373 0.66400223475544 0.88892362565958 39.098 > 13 53 K 0.02847661349772 0.45662740066177 0.19225273867490 39.098 > 14 54 K 0.52847661349772 0.45662740066177 0.19225273867490 39.098 > 14 55 K 0.02847661349772 0.95662740066177 0.19225273867490 39.098 > 14 56 K 0.52847661349772 0.95662740066177 0.19225273867490 39.098 > 14 57 K 0.08346551710952 0.05085683546580 0.58653044435962 39.098 > 15 58 K 0.58346551710952 0.05085683546580 0.58653044435962 39.098 > 15 59 K 0.08346551710952 0.55085683546580 0.58653044435962 39.098 > 15 60 K 0.58346551710952 0.55085683546580 0.58653044435962 39.098 > 15 61 K 0.02847661349772 0.29337259933823 0.69225273867490 39.098 > 16 62 K 0.52847661349772 0.29337259933823 0.69225273867490 39.098 > 16 63 K 0.02847661349772 0.79337259933823 0.69225273867490 39.098 > 16 64 K 0.52847661349772 0.79337259933823 0.69225273867490 39.098 > 16 *65 Ti 0.37804874137814 0.06824394712364 0.00725125909448 47.867 > 17 66 Ti 0.87804874137814 0.06824394712364 0.00725125909448 47.867 > 17 67 Ti 0.37804874137814 0.56824394712364 0.00725125909448 47.867 > 17 68 Ti 0.87804874137814 0.56824394712364 0.00725125909448 47.867 > 17 69 Ti 0.37804874137814 0.18175605287636 0.50725125909448 47.867 > 18 70 Ti 0.87804874137814 0.18175605287636 0.50725125909448 47.867 > 18 71 Ti 0.37804874137814 0.68175605287636 0.50725125909448 47.867 > 18 72 Ti 0.87804874137814 0.68175605287636 0.50725125909448 47.867 > 18 73 Ti 0.12195125862186 0.31824394712364 0.49274874090552 47.867 > 19 74 Ti 0.62195125862186 0.31824394712364 0.49274874090552 47.867 > 19 75 Ti 0.12195125862186 0.81824394712364 0.49274874090552 47.867 > 19 76 Ti 0.62195125862186 0.81824394712364 0.49274874090552 47.867 > 19 77 Ti 0.12195125862186 0.43175605287636 0.99274874090552 47.867 > 20 78 Ti 0.62195125862186 0.43175605287636 0.99274874090552 47.867 > 20 79 Ti 0.12195125862186 0.93175605287636 0.99274874090552 47.867 > 20 80 Ti 0.62195125862186 0.93175605287636 0.99274874090552 47.867 > 20 *81 O 0.46178262682596 0.11993706481803 0.03138303472667 15.999 > 21 82 O 0.96178262682596 0.11993706481803 0.03138303472667 15.999 > 21 83 O 0.46178262682596 0.61993706481803 0.03138303472667 15.999 > 21 84 O 0.96178262682596 0.61993706481803 0.03138303472667 15.999 > 21 *85 O 0.38544867110717 0.00336694523040 0.16227671025359 15.999 > 22 86 O 0.88544867110717 0.00336694523040 0.16227671025359 15.999 > 22 87 O 0.38544867110717 0.50336694523040 0.16227671025359 15.999 > 22 88 O 0.88544867110717 0.50336694523040 0.16227671025359 15.999 > 22 89 O 0.46178262682596 0.13006293518197 0.53138303472667 15.999 > 23 90 O 0.96178262682596 0.13006293518197 0.53138303472667 15.999 > 23 91 O 0.46178262682596 0.63006293518197 0.53138303472667 15.999 > 23 92 O 0.96178262682596 0.63006293518197 0.53138303472667 15.999 > 23 *93 O 0.34838295065025 0.26707047376569 0.36094464085647 15.999 > 24 94 O 0.84838295065025 0.26707047376569 0.36094464085647 15.999 > 24 95 O 0.34838295065025 0.76707047376569 0.36094464085647 15.999 > 24 96 O 0.84838295065025 0.76707047376569 0.36094464085647 15.999 > 24 97 O 0.38544867110717 0.24663305476960 0.66227671025359 15.999 > 25 98 O 0.88544867110717 0.24663305476960 0.66227671025359 15.999 > 25 99 O 0.38544867110717 0.74663305476960 0.66227671025359 15.999 > 25 100 O 0.88544867110717 0.74663305476960 0.66227671025359 15.999 > 25 *101 O 0.31761376628447 0.07621664418173 0.47385633851807 15.999 > 26 102 O 0.81761376628447 0.07621664418173 0.47385633851807 15.999 > 26 103 O 0.31761376628447 0.57621664418173 0.47385633851807 15.999 > 26 104 O 0.81761376628447 0.57621664418173 0.47385633851807 15.999 > 26 105 O 0.34838295065025 0.48292952623431 0.86094464085647 15.999 > 27 106 O 0.84838295065025 0.48292952623431 0.86094464085647 15.999 > 27 107 O 0.34838295065025 0.98292952623431 0.86094464085647 15.999 > 27 108 O 0.84838295065025 0.98292952623431 0.86094464085647 15.999 > 27 109 O 0.18238623371553 0.32621664418173 0.02614366148193 15.999 > 28 110 O 0.68238623371553 0.32621664418173 0.02614366148193 15.999 > 28 111 O 0.18238623371553 0.82621664418173 0.02614366148193 15.999 > 28 112 O 0.68238623371553 0.82621664418173 0.02614366148193 15.999 > 28 113 O 0.31761376628447 0.17378335581827 0.97385633851807 15.999 > 29 114 O 0.81761376628447 0.17378335581827 0.97385633851807 15.999 > 29 115 O 0.31761376628447 0.67378335581827 0.97385633851807 15.999 > 29 116 O 0.81761376628447 0.67378335581827 0.97385633851807 15.999 > 29 117 O 0.15161704934975 0.01707047376569 0.13905535914353 15.999 > 30 118 O 0.65161704934975 0.01707047376569 0.13905535914353 15.999 > 30 119 O 0.15161704934975 0.51707047376569 0.13905535914353 15.999 > 30 120 O 0.65161704934975 0.51707047376569 0.13905535914353 15.999 > 30 121 O 0.18238623371553 0.42378335581827 0.52614366148193 15.999 > 31 122 O 0.68238623371553 0.42378335581827 0.52614366148193 15.999 > 31 123 O 0.18238623371553 0.92378335581827 0.52614366148193 15.999 > 31 124 O 0.68238623371553 0.92378335581827 0.52614366148193 15.999 > 31 125 O 0.11455132889283 0.25336694523040 0.33772328974641 15.999 > 32 126 O 0.61455132889283 0.25336694523040 0.33772328974641 15.999 > 32 127 O 0.11455132889283 0.75336694523040 0.33772328974641 15.999 > 32 128 O 0.61455132889283 0.75336694523040 0.33772328974641 15.999 > 32 129 O 0.15161704934975 0.23292952623431 0.63905535914353 15.999 > 33 130 O 0.65161704934975 0.23292952623431 0.63905535914353 15.999 > 33 131 O 0.15161704934975 0.73292952623431 0.63905535914353 15.999 > 33 132 O 0.65161704934975 0.73292952623431 0.63905535914353 15.999 > 33 133 O 0.03821737317404 0.36993706481803 0.46861696527333 15.999 > 34 134 O 0.53821737317404 0.36993706481803 0.46861696527333 15.999 > 34 135 O 0.03821737317404 0.86993706481803 0.46861696527333 15.999 > 34 136 O 0.53821737317404 0.86993706481803 0.46861696527333 15.999 > 34 137 O 0.11455132889283 0.49663305476960 0.83772328974641 15.999 > 35 138 O 0.61455132889283 0.49663305476960 0.83772328974641 15.999 > 35 139 O 0.11455132889283 0.99663305476960 0.83772328974641 15.999 > 35 140 O 0.61455132889283 0.99663305476960 0.83772328974641 15.999 > 35 141 O 0.03821737317404 0.38006293518197 0.96861696527333 15.999 > 36 142 O 0.53821737317404 0.38006293518197 0.96861696527333 15.999 > 36 143 O 0.03821737317404 0.88006293518197 0.96861696527333 15.999 > 36 144 O 0.53821737317404 0.88006293518197 0.96861696527333 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8162307 0.0000000 0.0027642 0.0000000 2.8082525 0.0000000 0.0027646 0.0000000 2.8525650 -------------------------- Born effective charges -------------------------- 1 K 1.1920047 0.1858345 -0.0376652 0.1480022 1.0169308 0.1479016 -0.0125268 0.1770570 1.2216599 2 K 1.0910803 -0.1203804 -0.0206318 -0.0847124 1.3477276 -0.0087055 -0.0045159 -0.0450136 1.0703634 3 K 1.1920047 -0.1858345 -0.0376652 -0.1480022 1.0169308 -0.1479016 -0.0125268 -0.1770570 1.2216599 4 K 1.1341211 0.0692043 0.0218447 0.0570691 1.2662219 0.0111161 -0.0010215 -0.0400262 1.1232895 5 K 1.1983719 0.0155803 -0.0096139 0.0412904 0.9976401 0.0932372 -0.0280539 0.1302110 1.2408573 6 K 1.0910803 0.1203804 -0.0206318 0.0847124 1.3477276 0.0087055 -0.0045159 0.0450136 1.0703634 7 K 1.1341211 -0.0692043 0.0218447 -0.0570691 1.2662219 -0.0111161 -0.0010215 0.0400262 1.1232895 8 K 1.1983719 -0.0155803 -0.0096139 -0.0412904 0.9976401 -0.0932372 -0.0280539 -0.1302110 1.2408573 9 K 1.1983719 -0.0155803 -0.0096139 -0.0412904 0.9976401 -0.0932372 -0.0280539 -0.1302110 1.2408573 10 K 1.1341211 -0.0692043 0.0218447 -0.0570691 1.2662219 -0.0111161 -0.0010215 0.0400262 1.1232895 11 K 1.0910803 0.1203804 -0.0206318 0.0847124 1.3477276 0.0087055 -0.0045159 0.0450136 1.0703634 12 K 1.1983719 0.0155803 -0.0096139 0.0412904 0.9976401 0.0932372 -0.0280539 0.1302110 1.2408573 13 K 1.1341211 0.0692043 0.0218447 0.0570691 1.2662219 0.0111161 -0.0010215 -0.0400262 1.1232895 14 K 1.1920047 -0.1858345 -0.0376652 -0.1480022 1.0169308 -0.1479016 -0.0125268 -0.1770570 1.2216599 15 K 1.0910803 -0.1203804 -0.0206318 -0.0847124 1.3477276 -0.0087055 -0.0045159 -0.0450136 1.0703634 16 K 1.1920047 0.1858345 -0.0376652 0.1480022 1.0169308 0.1479016 -0.0125268 0.1770570 1.2216599 17 Ti 2.6687840 -0.0138461 0.0628152 -0.0003988 2.6313514 -0.0479905 0.0540826 -0.0382680 2.8484608 18 Ti 2.6687840 0.0138461 0.0628152 0.0003988 2.6313514 0.0479905 0.0540826 0.0382680 2.8484608 19 Ti 2.6687840 0.0138461 0.0628152 0.0003988 2.6313514 0.0479905 0.0540826 0.0382680 2.8484608 20 Ti 2.6687840 -0.0138461 0.0628152 -0.0003988 2.6313514 -0.0479905 0.0540826 -0.0382680 2.8484608 21 O -2.7073616 -0.5763662 -0.1901344 -0.6131837 -1.4820933 -0.0703949 -0.2598940 -0.0878342 -1.2370500 22 O -1.3491062 -0.1860533 0.4117088 -0.2384914 -1.6402560 0.7470198 0.4601746 0.7132394 -2.5108321 23 O -2.7073616 0.5763662 -0.1901344 0.6131837 -1.4820933 0.0703949 -0.2598940 0.0878342 -1.2370500 24 O -1.2442398 0.0538453 -0.0923774 0.0342377 -1.9325619 0.8837505 -0.0427343 0.8344151 -2.4042897 25 O -1.3491062 0.1860533 0.4117088 0.2384914 -1.6402560 -0.7470198 0.4601746 -0.7132394 -2.5108321 26 O -1.9836543 -0.8607016 -0.1459460 -0.8665982 -2.2049607 -0.2119384 -0.1655109 -0.2184680 -1.3524590 27 O -1.2442398 -0.0538453 -0.0923774 -0.0342377 -1.9325619 -0.8837505 -0.0427343 -0.8344151 -2.4042897 28 O -1.9836543 0.8607016 -0.1459460 0.8665982 -2.2049607 0.2119384 -0.1655109 0.2184680 -1.3524590 29 O -1.9836543 0.8607016 -0.1459460 0.8665982 -2.2049607 0.2119384 -0.1655109 0.2184680 -1.3524590 30 O -1.2442398 -0.0538453 -0.0923774 -0.0342377 -1.9325619 -0.8837505 -0.0427343 -0.8344151 -2.4042897 31 O -1.9836543 -0.8607016 -0.1459460 -0.8665982 -2.2049607 -0.2119384 -0.1655109 -0.2184680 -1.3524590 32 O -1.3491062 0.1860533 0.4117088 0.2384914 -1.6402560 -0.7470198 0.4601746 -0.7132394 -2.5108321 33 O -1.2442398 0.0538453 -0.0923774 0.0342377 -1.9325619 0.8837505 -0.0427343 0.8344151 -2.4042897 34 O -2.7073616 0.5763662 -0.1901344 0.6131837 -1.4820933 0.0703949 -0.2598940 0.0878342 -1.2370500 35 O -1.3491062 -0.1860533 0.4117088 -0.2384914 -1.6402560 0.7470198 0.4601746 0.7132394 -2.5108321 36 O -2.7073616 -0.5763662 -0.1901344 -0.6131837 -1.4820933 -0.0703949 -0.2598940 -0.0878342 -1.2370500 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (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: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (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: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.866 Solver_block: 200 / 1120 - Time: 1.679 Solver_block: 300 / 1120 - Time: 1.656 Solver_block: 400 / 1120 - Time: 1.663 Solver_block: 500 / 1120 - Time: 1.662 Solver_block: 600 / 1120 - Time: 1.661 Solver_block: 700 / 1120 - Time: 1.663 Solver_block: 800 / 1120 - Time: 1.660 Solver_block: 900 / 1120 - Time: 1.658 Solver_block: 1000 / 1120 - Time: 1.662 Solver_block: 1100 / 1120 - Time: 1.656 Solver_block: 1120 / 1120 - Time: 0.532 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 19.517 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (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: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (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: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) 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 01:49:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:49:10]------------------------- 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 10.538863390767746 0.000000000000000 0.000000000000000 b 0.000000000000000 6.630709530000000 0.000000000000000 c -3.933230647024550 0.000000000000000 9.981866774424267 Atomic positions (fractional): 1 K 0.94304677300456 0.41325480132353 0.30774726132510 39.098 2 K 0.83306896578096 0.89828632906840 0.41346955564038 39.098 3 K 0.94304677300456 0.08674519867647 0.80774726132510 39.098 4 K 0.63310686749254 0.67199553048913 0.11107637434042 39.098 5 K 0.56556916201377 0.20811396693487 0.20035479879556 39.098 6 K 0.83306896578096 0.60171367093160 0.91346955564038 39.098 7 K 0.63310686749254 0.82800446951087 0.61107637434042 39.098 8 K 0.43443083798623 0.70811396693487 0.29964520120444 39.098 9 K 0.56556916201377 0.29188603306513 0.70035479879556 39.098 10 K 0.36689313250746 0.17199553048913 0.38892362565958 39.098 11 K 0.16693103421904 0.39828632906840 0.08653044435962 39.098 12 K 0.43443083798623 0.79188603306513 0.79964520120444 39.098 13 K 0.36689313250746 0.32800446951087 0.88892362565958 39.098 14 K 0.05695322699544 0.91325480132353 0.19225273867490 39.098 15 K 0.16693103421904 0.10171367093160 0.58653044435962 39.098 16 K 0.05695322699544 0.58674519867647 0.69225273867490 39.098 17 Ti 0.75609748275627 0.13648789424728 0.00725125909448 47.867 18 Ti 0.75609748275627 0.36351210575272 0.50725125909448 47.867 19 Ti 0.24390251724372 0.63648789424728 0.49274874090552 47.867 20 Ti 0.24390251724372 0.86351210575272 0.99274874090552 47.867 21 O 0.92356525365191 0.23987412963605 0.03138303472667 15.999 22 O 0.77089734221434 0.00673389046081 0.16227671025359 15.999 23 O 0.92356525365191 0.26012587036395 0.53138303472667 15.999 24 O 0.69676590130050 0.53414094753138 0.36094464085647 15.999 25 O 0.77089734221434 0.49326610953919 0.66227671025359 15.999 26 O 0.63522753256895 0.15243328836347 0.47385633851807 15.999 27 O 0.69676590130050 0.96585905246862 0.86094464085647 15.999 28 O 0.36477246743105 0.65243328836347 0.02614366148193 15.999 29 O 0.63522753256895 0.34756671163653 0.97385633851807 15.999 30 O 0.30323409869950 0.03414094753138 0.13905535914353 15.999 31 O 0.36477246743105 0.84756671163653 0.52614366148193 15.999 32 O 0.22910265778566 0.50673389046080 0.33772328974641 15.999 33 O 0.30323409869950 0.46585905246862 0.63905535914353 15.999 34 O 0.07643474634809 0.73987412963605 0.46861696527333 15.999 35 O 0.22910265778566 0.99326610953920 0.83772328974641 15.999 36 O 0.07643474634809 0.76012587036395 0.96861696527333 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 21.077726781535493 0.000000000000000 0.000000000000000 b 0.000000000000000 13.261419060000000 0.000000000000000 c -3.933230647024550 0.000000000000000 9.981866774424267 Atomic positions (fractional): 1 K 0.47152338650228 0.20662740066177 0.30774726132510 39.098 > 1 2 K 0.97152338650228 0.20662740066177 0.30774726132510 39.098 > 1 3 K 0.47152338650228 0.70662740066177 0.30774726132510 39.098 > 1 4 K 0.97152338650228 0.70662740066177 0.30774726132510 39.098 > 1 5 K 0.41653448289048 0.44914316453420 0.41346955564038 39.098 > 5 6 K 0.91653448289048 0.44914316453420 0.41346955564038 39.098 > 5 7 K 0.41653448289048 0.94914316453420 0.41346955564038 39.098 > 5 8 K 0.91653448289048 0.94914316453420 0.41346955564038 39.098 > 5 9 K 0.47152338650228 0.04337259933823 0.80774726132510 39.098 > 9 10 K 0.97152338650228 0.04337259933823 0.80774726132510 39.098 > 9 11 K 0.47152338650228 0.54337259933823 0.80774726132510 39.098 > 9 12 K 0.97152338650228 0.54337259933823 0.80774726132510 39.098 > 9 13 K 0.31655343374627 0.33599776524456 0.11107637434042 39.098 > 13 14 K 0.81655343374627 0.33599776524456 0.11107637434042 39.098 > 13 15 K 0.31655343374627 0.83599776524456 0.11107637434042 39.098 > 13 16 K 0.81655343374627 0.83599776524456 0.11107637434042 39.098 > 13 17 K 0.28278458100689 0.10405698346744 0.20035479879556 39.098 > 17 18 K 0.78278458100689 0.10405698346744 0.20035479879556 39.098 > 17 19 K 0.28278458100689 0.60405698346744 0.20035479879556 39.098 > 17 20 K 0.78278458100689 0.60405698346744 0.20035479879556 39.098 > 17 21 K 0.41653448289048 0.30085683546580 0.91346955564038 39.098 > 21 22 K 0.91653448289048 0.30085683546580 0.91346955564038 39.098 > 21 23 K 0.41653448289048 0.80085683546580 0.91346955564038 39.098 > 21 24 K 0.91653448289048 0.80085683546580 0.91346955564038 39.098 > 21 25 K 0.31655343374627 0.41400223475544 0.61107637434042 39.098 > 25 26 K 0.81655343374627 0.41400223475544 0.61107637434042 39.098 > 25 27 K 0.31655343374627 0.91400223475544 0.61107637434042 39.098 > 25 28 K 0.81655343374627 0.91400223475544 0.61107637434042 39.098 > 25 29 K 0.21721541899311 0.35405698346744 0.29964520120444 39.098 > 29 30 K 0.71721541899311 0.35405698346744 0.29964520120444 39.098 > 29 31 K 0.21721541899311 0.85405698346744 0.29964520120444 39.098 > 29 32 K 0.71721541899311 0.85405698346744 0.29964520120444 39.098 > 29 33 K 0.28278458100689 0.14594301653256 0.70035479879556 39.098 > 33 34 K 0.78278458100689 0.14594301653256 0.70035479879556 39.098 > 33 35 K 0.28278458100689 0.64594301653256 0.70035479879556 39.098 > 33 36 K 0.78278458100689 0.64594301653256 0.70035479879556 39.098 > 33 37 K 0.18344656625373 0.08599776524456 0.38892362565958 39.098 > 37 38 K 0.68344656625373 0.08599776524456 0.38892362565958 39.098 > 37 39 K 0.18344656625373 0.58599776524456 0.38892362565958 39.098 > 37 40 K 0.68344656625373 0.58599776524456 0.38892362565958 39.098 > 37 41 K 0.08346551710952 0.19914316453420 0.08653044435962 39.098 > 41 42 K 0.58346551710952 0.19914316453420 0.08653044435962 39.098 > 41 43 K 0.08346551710952 0.69914316453420 0.08653044435962 39.098 > 41 44 K 0.58346551710952 0.69914316453420 0.08653044435962 39.098 > 41 45 K 0.21721541899311 0.39594301653256 0.79964520120444 39.098 > 45 46 K 0.71721541899311 0.39594301653256 0.79964520120444 39.098 > 45 47 K 0.21721541899311 0.89594301653256 0.79964520120444 39.098 > 45 48 K 0.71721541899311 0.89594301653256 0.79964520120444 39.098 > 45 49 K 0.18344656625373 0.16400223475544 0.88892362565958 39.098 > 49 50 K 0.68344656625373 0.16400223475544 0.88892362565958 39.098 > 49 51 K 0.18344656625373 0.66400223475544 0.88892362565958 39.098 > 49 52 K 0.68344656625373 0.66400223475544 0.88892362565958 39.098 > 49 53 K 0.02847661349772 0.45662740066177 0.19225273867490 39.098 > 53 54 K 0.52847661349772 0.45662740066177 0.19225273867490 39.098 > 53 55 K 0.02847661349772 0.95662740066177 0.19225273867490 39.098 > 53 56 K 0.52847661349772 0.95662740066177 0.19225273867490 39.098 > 53 57 K 0.08346551710952 0.05085683546580 0.58653044435962 39.098 > 57 58 K 0.58346551710952 0.05085683546580 0.58653044435962 39.098 > 57 59 K 0.08346551710952 0.55085683546580 0.58653044435962 39.098 > 57 60 K 0.58346551710952 0.55085683546580 0.58653044435962 39.098 > 57 61 K 0.02847661349772 0.29337259933823 0.69225273867490 39.098 > 61 62 K 0.52847661349772 0.29337259933823 0.69225273867490 39.098 > 61 63 K 0.02847661349772 0.79337259933823 0.69225273867490 39.098 > 61 64 K 0.52847661349772 0.79337259933823 0.69225273867490 39.098 > 61 65 Ti 0.37804874137814 0.06824394712364 0.00725125909448 47.867 > 65 66 Ti 0.87804874137814 0.06824394712364 0.00725125909448 47.867 > 65 67 Ti 0.37804874137814 0.56824394712364 0.00725125909448 47.867 > 65 68 Ti 0.87804874137814 0.56824394712364 0.00725125909448 47.867 > 65 69 Ti 0.37804874137814 0.18175605287636 0.50725125909448 47.867 > 69 70 Ti 0.87804874137814 0.18175605287636 0.50725125909448 47.867 > 69 71 Ti 0.37804874137814 0.68175605287636 0.50725125909448 47.867 > 69 72 Ti 0.87804874137814 0.68175605287636 0.50725125909448 47.867 > 69 73 Ti 0.12195125862186 0.31824394712364 0.49274874090552 47.867 > 73 74 Ti 0.62195125862186 0.31824394712364 0.49274874090552 47.867 > 73 75 Ti 0.12195125862186 0.81824394712364 0.49274874090552 47.867 > 73 76 Ti 0.62195125862186 0.81824394712364 0.49274874090552 47.867 > 73 77 Ti 0.12195125862186 0.43175605287636 0.99274874090552 47.867 > 77 78 Ti 0.62195125862186 0.43175605287636 0.99274874090552 47.867 > 77 79 Ti 0.12195125862186 0.93175605287636 0.99274874090552 47.867 > 77 80 Ti 0.62195125862186 0.93175605287636 0.99274874090552 47.867 > 77 81 O 0.46178262682596 0.11993706481803 0.03138303472667 15.999 > 81 82 O 0.96178262682596 0.11993706481803 0.03138303472667 15.999 > 81 83 O 0.46178262682596 0.61993706481803 0.03138303472667 15.999 > 81 84 O 0.96178262682596 0.61993706481803 0.03138303472667 15.999 > 81 85 O 0.38544867110717 0.00336694523040 0.16227671025359 15.999 > 85 86 O 0.88544867110717 0.00336694523040 0.16227671025359 15.999 > 85 87 O 0.38544867110717 0.50336694523040 0.16227671025359 15.999 > 85 88 O 0.88544867110717 0.50336694523040 0.16227671025359 15.999 > 85 89 O 0.46178262682596 0.13006293518197 0.53138303472667 15.999 > 89 90 O 0.96178262682596 0.13006293518197 0.53138303472667 15.999 > 89 91 O 0.46178262682596 0.63006293518197 0.53138303472667 15.999 > 89 92 O 0.96178262682596 0.63006293518197 0.53138303472667 15.999 > 89 93 O 0.34838295065025 0.26707047376569 0.36094464085647 15.999 > 93 94 O 0.84838295065025 0.26707047376569 0.36094464085647 15.999 > 93 95 O 0.34838295065025 0.76707047376569 0.36094464085647 15.999 > 93 96 O 0.84838295065025 0.76707047376569 0.36094464085647 15.999 > 93 97 O 0.38544867110717 0.24663305476960 0.66227671025359 15.999 > 97 98 O 0.88544867110717 0.24663305476960 0.66227671025359 15.999 > 97 99 O 0.38544867110717 0.74663305476960 0.66227671025359 15.999 > 97 100 O 0.88544867110717 0.74663305476960 0.66227671025359 15.999 > 97 101 O 0.31761376628447 0.07621664418173 0.47385633851807 15.999 > 101 102 O 0.81761376628447 0.07621664418173 0.47385633851807 15.999 > 101 103 O 0.31761376628447 0.57621664418173 0.47385633851807 15.999 > 101 104 O 0.81761376628447 0.57621664418173 0.47385633851807 15.999 > 101 105 O 0.34838295065025 0.48292952623431 0.86094464085647 15.999 > 105 106 O 0.84838295065025 0.48292952623431 0.86094464085647 15.999 > 105 107 O 0.34838295065025 0.98292952623431 0.86094464085647 15.999 > 105 108 O 0.84838295065025 0.98292952623431 0.86094464085647 15.999 > 105 109 O 0.18238623371553 0.32621664418173 0.02614366148193 15.999 > 109 110 O 0.68238623371553 0.32621664418173 0.02614366148193 15.999 > 109 111 O 0.18238623371553 0.82621664418173 0.02614366148193 15.999 > 109 112 O 0.68238623371553 0.82621664418173 0.02614366148193 15.999 > 109 113 O 0.31761376628447 0.17378335581827 0.97385633851807 15.999 > 113 114 O 0.81761376628447 0.17378335581827 0.97385633851807 15.999 > 113 115 O 0.31761376628447 0.67378335581827 0.97385633851807 15.999 > 113 116 O 0.81761376628447 0.67378335581827 0.97385633851807 15.999 > 113 117 O 0.15161704934975 0.01707047376569 0.13905535914353 15.999 > 117 118 O 0.65161704934975 0.01707047376569 0.13905535914353 15.999 > 117 119 O 0.15161704934975 0.51707047376569 0.13905535914353 15.999 > 117 120 O 0.65161704934975 0.51707047376569 0.13905535914353 15.999 > 117 121 O 0.18238623371553 0.42378335581827 0.52614366148193 15.999 > 121 122 O 0.68238623371553 0.42378335581827 0.52614366148193 15.999 > 121 123 O 0.18238623371553 0.92378335581827 0.52614366148193 15.999 > 121 124 O 0.68238623371553 0.92378335581827 0.52614366148193 15.999 > 121 125 O 0.11455132889283 0.25336694523040 0.33772328974641 15.999 > 125 126 O 0.61455132889283 0.25336694523040 0.33772328974641 15.999 > 125 127 O 0.11455132889283 0.75336694523040 0.33772328974641 15.999 > 125 128 O 0.61455132889283 0.75336694523040 0.33772328974641 15.999 > 125 129 O 0.15161704934975 0.23292952623431 0.63905535914353 15.999 > 129 130 O 0.65161704934975 0.23292952623431 0.63905535914353 15.999 > 129 131 O 0.15161704934975 0.73292952623431 0.63905535914353 15.999 > 129 132 O 0.65161704934975 0.73292952623431 0.63905535914353 15.999 > 129 133 O 0.03821737317404 0.36993706481803 0.46861696527333 15.999 > 133 134 O 0.53821737317404 0.36993706481803 0.46861696527333 15.999 > 133 135 O 0.03821737317404 0.86993706481803 0.46861696527333 15.999 > 133 136 O 0.53821737317404 0.86993706481803 0.46861696527333 15.999 > 133 137 O 0.11455132889283 0.49663305476960 0.83772328974641 15.999 > 137 138 O 0.61455132889283 0.49663305476960 0.83772328974641 15.999 > 137 139 O 0.11455132889283 0.99663305476960 0.83772328974641 15.999 > 137 140 O 0.61455132889283 0.99663305476960 0.83772328974641 15.999 > 137 141 O 0.03821737317404 0.38006293518197 0.96861696527333 15.999 > 141 142 O 0.53821737317404 0.38006293518197 0.96861696527333 15.999 > 141 143 O 0.03821737317404 0.88006293518197 0.96861696527333 15.999 > 141 144 O 0.53821737317404 0.88006293518197 0.96861696527333 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8162307 0.0000000 0.0027642 0.0000000 2.8082525 0.0000000 0.0027646 0.0000000 2.8525650 -------------------------- Born effective charges -------------------------- 1 K 1.1920047 0.1858345 -0.0376652 0.1480022 1.0169308 0.1479016 -0.0125268 0.1770570 1.2216599 2 K 1.0910803 -0.1203804 -0.0206318 -0.0847124 1.3477276 -0.0087055 -0.0045159 -0.0450136 1.0703634 3 K 1.1920047 -0.1858345 -0.0376652 -0.1480022 1.0169308 -0.1479016 -0.0125268 -0.1770570 1.2216599 4 K 1.1341211 0.0692043 0.0218447 0.0570691 1.2662219 0.0111161 -0.0010215 -0.0400262 1.1232895 5 K 1.1983719 0.0155803 -0.0096139 0.0412904 0.9976401 0.0932372 -0.0280539 0.1302110 1.2408573 6 K 1.0910803 0.1203804 -0.0206318 0.0847124 1.3477276 0.0087055 -0.0045159 0.0450136 1.0703634 7 K 1.1341211 -0.0692043 0.0218447 -0.0570691 1.2662219 -0.0111161 -0.0010215 0.0400262 1.1232895 8 K 1.1983719 -0.0155803 -0.0096139 -0.0412904 0.9976401 -0.0932372 -0.0280539 -0.1302110 1.2408573 9 K 1.1983719 -0.0155803 -0.0096139 -0.0412904 0.9976401 -0.0932372 -0.0280539 -0.1302110 1.2408573 10 K 1.1341211 -0.0692043 0.0218447 -0.0570691 1.2662219 -0.0111161 -0.0010215 0.0400262 1.1232895 11 K 1.0910803 0.1203804 -0.0206318 0.0847124 1.3477276 0.0087055 -0.0045159 0.0450136 1.0703634 12 K 1.1983719 0.0155803 -0.0096139 0.0412904 0.9976401 0.0932372 -0.0280539 0.1302110 1.2408573 13 K 1.1341211 0.0692043 0.0218447 0.0570691 1.2662219 0.0111161 -0.0010215 -0.0400262 1.1232895 14 K 1.1920047 -0.1858345 -0.0376652 -0.1480022 1.0169308 -0.1479016 -0.0125268 -0.1770570 1.2216599 15 K 1.0910803 -0.1203804 -0.0206318 -0.0847124 1.3477276 -0.0087055 -0.0045159 -0.0450136 1.0703634 16 K 1.1920047 0.1858345 -0.0376652 0.1480022 1.0169308 0.1479016 -0.0125268 0.1770570 1.2216599 17 Ti 2.6687840 -0.0138461 0.0628152 -0.0003988 2.6313514 -0.0479905 0.0540826 -0.0382680 2.8484608 18 Ti 2.6687840 0.0138461 0.0628152 0.0003988 2.6313514 0.0479905 0.0540826 0.0382680 2.8484608 19 Ti 2.6687840 0.0138461 0.0628152 0.0003988 2.6313514 0.0479905 0.0540826 0.0382680 2.8484608 20 Ti 2.6687840 -0.0138461 0.0628152 -0.0003988 2.6313514 -0.0479905 0.0540826 -0.0382680 2.8484608 21 O -2.7073616 -0.5763662 -0.1901344 -0.6131837 -1.4820933 -0.0703949 -0.2598940 -0.0878342 -1.2370500 22 O -1.3491062 -0.1860533 0.4117088 -0.2384914 -1.6402560 0.7470198 0.4601746 0.7132394 -2.5108321 23 O -2.7073616 0.5763662 -0.1901344 0.6131837 -1.4820933 0.0703949 -0.2598940 0.0878342 -1.2370500 24 O -1.2442398 0.0538453 -0.0923774 0.0342377 -1.9325619 0.8837505 -0.0427343 0.8344151 -2.4042897 25 O -1.3491062 0.1860533 0.4117088 0.2384914 -1.6402560 -0.7470198 0.4601746 -0.7132394 -2.5108321 26 O -1.9836543 -0.8607016 -0.1459460 -0.8665982 -2.2049607 -0.2119384 -0.1655109 -0.2184680 -1.3524590 27 O -1.2442398 -0.0538453 -0.0923774 -0.0342377 -1.9325619 -0.8837505 -0.0427343 -0.8344151 -2.4042897 28 O -1.9836543 0.8607016 -0.1459460 0.8665982 -2.2049607 0.2119384 -0.1655109 0.2184680 -1.3524590 29 O -1.9836543 0.8607016 -0.1459460 0.8665982 -2.2049607 0.2119384 -0.1655109 0.2184680 -1.3524590 30 O -1.2442398 -0.0538453 -0.0923774 -0.0342377 -1.9325619 -0.8837505 -0.0427343 -0.8344151 -2.4042897 31 O -1.9836543 -0.8607016 -0.1459460 -0.8665982 -2.2049607 -0.2119384 -0.1655109 -0.2184680 -1.3524590 32 O -1.3491062 0.1860533 0.4117088 0.2384914 -1.6402560 -0.7470198 0.4601746 -0.7132394 -2.5108321 33 O -1.2442398 0.0538453 -0.0923774 0.0342377 -1.9325619 0.8837505 -0.0427343 0.8344151 -2.4042897 34 O -2.7073616 0.5763662 -0.1901344 0.6131837 -1.4820933 0.0703949 -0.2598940 0.0878342 -1.2370500 35 O -1.3491062 -0.1860533 0.4117088 -0.2384914 -1.6402560 0.7470198 0.4601746 0.7132394 -2.5108321 36 O -2.7073616 -0.5763662 -0.1901344 -0.6131837 -1.4820933 -0.0703949 -0.2598940 -0.0878342 -1.2370500 ---------------------------------------------------------------------------- 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 13, 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 81, 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 93, 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 101, 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (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 01:50:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:50:13]------------------------- 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 10.538863390767746 0.000000000000000 0.000000000000000 b 0.000000000000000 6.630709530000000 0.000000000000000 c -3.933230647024550 0.000000000000000 9.981866774424267 Atomic positions (fractional): 1 K 0.94304677300456 0.41325480132353 0.30774726132510 39.098 2 K 0.83306896578096 0.89828632906840 0.41346955564038 39.098 3 K 0.94304677300456 0.08674519867647 0.80774726132510 39.098 4 K 0.63310686749254 0.67199553048913 0.11107637434042 39.098 5 K 0.56556916201377 0.20811396693487 0.20035479879556 39.098 6 K 0.83306896578096 0.60171367093160 0.91346955564038 39.098 7 K 0.63310686749254 0.82800446951087 0.61107637434042 39.098 8 K 0.43443083798623 0.70811396693487 0.29964520120444 39.098 9 K 0.56556916201377 0.29188603306513 0.70035479879556 39.098 10 K 0.36689313250746 0.17199553048913 0.38892362565958 39.098 11 K 0.16693103421904 0.39828632906840 0.08653044435962 39.098 12 K 0.43443083798623 0.79188603306513 0.79964520120444 39.098 13 K 0.36689313250746 0.32800446951087 0.88892362565958 39.098 14 K 0.05695322699544 0.91325480132353 0.19225273867490 39.098 15 K 0.16693103421904 0.10171367093160 0.58653044435962 39.098 16 K 0.05695322699544 0.58674519867647 0.69225273867490 39.098 17 Ti 0.75609748275627 0.13648789424728 0.00725125909448 47.867 18 Ti 0.75609748275627 0.36351210575272 0.50725125909448 47.867 19 Ti 0.24390251724372 0.63648789424728 0.49274874090552 47.867 20 Ti 0.24390251724372 0.86351210575272 0.99274874090552 47.867 21 O 0.92356525365191 0.23987412963605 0.03138303472667 15.999 22 O 0.77089734221434 0.00673389046081 0.16227671025359 15.999 23 O 0.92356525365191 0.26012587036395 0.53138303472667 15.999 24 O 0.69676590130050 0.53414094753138 0.36094464085647 15.999 25 O 0.77089734221434 0.49326610953919 0.66227671025359 15.999 26 O 0.63522753256895 0.15243328836347 0.47385633851807 15.999 27 O 0.69676590130050 0.96585905246862 0.86094464085647 15.999 28 O 0.36477246743105 0.65243328836347 0.02614366148193 15.999 29 O 0.63522753256895 0.34756671163653 0.97385633851807 15.999 30 O 0.30323409869950 0.03414094753138 0.13905535914353 15.999 31 O 0.36477246743105 0.84756671163653 0.52614366148193 15.999 32 O 0.22910265778566 0.50673389046080 0.33772328974641 15.999 33 O 0.30323409869950 0.46585905246862 0.63905535914353 15.999 34 O 0.07643474634809 0.73987412963605 0.46861696527333 15.999 35 O 0.22910265778566 0.99326610953920 0.83772328974641 15.999 36 O 0.07643474634809 0.76012587036395 0.96861696527333 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 21.077726781535493 0.000000000000000 0.000000000000000 b 0.000000000000000 13.261419060000000 0.000000000000000 c -3.933230647024550 0.000000000000000 9.981866774424267 Atomic positions (fractional): 1 K 0.47152338650228 0.20662740066177 0.30774726132510 39.098 > 1 2 K 0.97152338650228 0.20662740066177 0.30774726132510 39.098 > 1 3 K 0.47152338650228 0.70662740066177 0.30774726132510 39.098 > 1 4 K 0.97152338650228 0.70662740066177 0.30774726132510 39.098 > 1 5 K 0.41653448289048 0.44914316453420 0.41346955564038 39.098 > 5 6 K 0.91653448289048 0.44914316453420 0.41346955564038 39.098 > 5 7 K 0.41653448289048 0.94914316453420 0.41346955564038 39.098 > 5 8 K 0.91653448289048 0.94914316453420 0.41346955564038 39.098 > 5 9 K 0.47152338650228 0.04337259933823 0.80774726132510 39.098 > 9 10 K 0.97152338650228 0.04337259933823 0.80774726132510 39.098 > 9 11 K 0.47152338650228 0.54337259933823 0.80774726132510 39.098 > 9 12 K 0.97152338650228 0.54337259933823 0.80774726132510 39.098 > 9 13 K 0.31655343374627 0.33599776524456 0.11107637434042 39.098 > 13 14 K 0.81655343374627 0.33599776524456 0.11107637434042 39.098 > 13 15 K 0.31655343374627 0.83599776524456 0.11107637434042 39.098 > 13 16 K 0.81655343374627 0.83599776524456 0.11107637434042 39.098 > 13 17 K 0.28278458100689 0.10405698346744 0.20035479879556 39.098 > 17 18 K 0.78278458100689 0.10405698346744 0.20035479879556 39.098 > 17 19 K 0.28278458100689 0.60405698346744 0.20035479879556 39.098 > 17 20 K 0.78278458100689 0.60405698346744 0.20035479879556 39.098 > 17 21 K 0.41653448289048 0.30085683546580 0.91346955564038 39.098 > 21 22 K 0.91653448289048 0.30085683546580 0.91346955564038 39.098 > 21 23 K 0.41653448289048 0.80085683546580 0.91346955564038 39.098 > 21 24 K 0.91653448289048 0.80085683546580 0.91346955564038 39.098 > 21 25 K 0.31655343374627 0.41400223475544 0.61107637434042 39.098 > 25 26 K 0.81655343374627 0.41400223475544 0.61107637434042 39.098 > 25 27 K 0.31655343374627 0.91400223475544 0.61107637434042 39.098 > 25 28 K 0.81655343374627 0.91400223475544 0.61107637434042 39.098 > 25 29 K 0.21721541899311 0.35405698346744 0.29964520120444 39.098 > 29 30 K 0.71721541899311 0.35405698346744 0.29964520120444 39.098 > 29 31 K 0.21721541899311 0.85405698346744 0.29964520120444 39.098 > 29 32 K 0.71721541899311 0.85405698346744 0.29964520120444 39.098 > 29 33 K 0.28278458100689 0.14594301653256 0.70035479879556 39.098 > 33 34 K 0.78278458100689 0.14594301653256 0.70035479879556 39.098 > 33 35 K 0.28278458100689 0.64594301653256 0.70035479879556 39.098 > 33 36 K 0.78278458100689 0.64594301653256 0.70035479879556 39.098 > 33 37 K 0.18344656625373 0.08599776524456 0.38892362565958 39.098 > 37 38 K 0.68344656625373 0.08599776524456 0.38892362565958 39.098 > 37 39 K 0.18344656625373 0.58599776524456 0.38892362565958 39.098 > 37 40 K 0.68344656625373 0.58599776524456 0.38892362565958 39.098 > 37 41 K 0.08346551710952 0.19914316453420 0.08653044435962 39.098 > 41 42 K 0.58346551710952 0.19914316453420 0.08653044435962 39.098 > 41 43 K 0.08346551710952 0.69914316453420 0.08653044435962 39.098 > 41 44 K 0.58346551710952 0.69914316453420 0.08653044435962 39.098 > 41 45 K 0.21721541899311 0.39594301653256 0.79964520120444 39.098 > 45 46 K 0.71721541899311 0.39594301653256 0.79964520120444 39.098 > 45 47 K 0.21721541899311 0.89594301653256 0.79964520120444 39.098 > 45 48 K 0.71721541899311 0.89594301653256 0.79964520120444 39.098 > 45 49 K 0.18344656625373 0.16400223475544 0.88892362565958 39.098 > 49 50 K 0.68344656625373 0.16400223475544 0.88892362565958 39.098 > 49 51 K 0.18344656625373 0.66400223475544 0.88892362565958 39.098 > 49 52 K 0.68344656625373 0.66400223475544 0.88892362565958 39.098 > 49 53 K 0.02847661349772 0.45662740066177 0.19225273867490 39.098 > 53 54 K 0.52847661349772 0.45662740066177 0.19225273867490 39.098 > 53 55 K 0.02847661349772 0.95662740066177 0.19225273867490 39.098 > 53 56 K 0.52847661349772 0.95662740066177 0.19225273867490 39.098 > 53 57 K 0.08346551710952 0.05085683546580 0.58653044435962 39.098 > 57 58 K 0.58346551710952 0.05085683546580 0.58653044435962 39.098 > 57 59 K 0.08346551710952 0.55085683546580 0.58653044435962 39.098 > 57 60 K 0.58346551710952 0.55085683546580 0.58653044435962 39.098 > 57 61 K 0.02847661349772 0.29337259933823 0.69225273867490 39.098 > 61 62 K 0.52847661349772 0.29337259933823 0.69225273867490 39.098 > 61 63 K 0.02847661349772 0.79337259933823 0.69225273867490 39.098 > 61 64 K 0.52847661349772 0.79337259933823 0.69225273867490 39.098 > 61 65 Ti 0.37804874137814 0.06824394712364 0.00725125909448 47.867 > 65 66 Ti 0.87804874137814 0.06824394712364 0.00725125909448 47.867 > 65 67 Ti 0.37804874137814 0.56824394712364 0.00725125909448 47.867 > 65 68 Ti 0.87804874137814 0.56824394712364 0.00725125909448 47.867 > 65 69 Ti 0.37804874137814 0.18175605287636 0.50725125909448 47.867 > 69 70 Ti 0.87804874137814 0.18175605287636 0.50725125909448 47.867 > 69 71 Ti 0.37804874137814 0.68175605287636 0.50725125909448 47.867 > 69 72 Ti 0.87804874137814 0.68175605287636 0.50725125909448 47.867 > 69 73 Ti 0.12195125862186 0.31824394712364 0.49274874090552 47.867 > 73 74 Ti 0.62195125862186 0.31824394712364 0.49274874090552 47.867 > 73 75 Ti 0.12195125862186 0.81824394712364 0.49274874090552 47.867 > 73 76 Ti 0.62195125862186 0.81824394712364 0.49274874090552 47.867 > 73 77 Ti 0.12195125862186 0.43175605287636 0.99274874090552 47.867 > 77 78 Ti 0.62195125862186 0.43175605287636 0.99274874090552 47.867 > 77 79 Ti 0.12195125862186 0.93175605287636 0.99274874090552 47.867 > 77 80 Ti 0.62195125862186 0.93175605287636 0.99274874090552 47.867 > 77 81 O 0.46178262682596 0.11993706481803 0.03138303472667 15.999 > 81 82 O 0.96178262682596 0.11993706481803 0.03138303472667 15.999 > 81 83 O 0.46178262682596 0.61993706481803 0.03138303472667 15.999 > 81 84 O 0.96178262682596 0.61993706481803 0.03138303472667 15.999 > 81 85 O 0.38544867110717 0.00336694523040 0.16227671025359 15.999 > 85 86 O 0.88544867110717 0.00336694523040 0.16227671025359 15.999 > 85 87 O 0.38544867110717 0.50336694523040 0.16227671025359 15.999 > 85 88 O 0.88544867110717 0.50336694523040 0.16227671025359 15.999 > 85 89 O 0.46178262682596 0.13006293518197 0.53138303472667 15.999 > 89 90 O 0.96178262682596 0.13006293518197 0.53138303472667 15.999 > 89 91 O 0.46178262682596 0.63006293518197 0.53138303472667 15.999 > 89 92 O 0.96178262682596 0.63006293518197 0.53138303472667 15.999 > 89 93 O 0.34838295065025 0.26707047376569 0.36094464085647 15.999 > 93 94 O 0.84838295065025 0.26707047376569 0.36094464085647 15.999 > 93 95 O 0.34838295065025 0.76707047376569 0.36094464085647 15.999 > 93 96 O 0.84838295065025 0.76707047376569 0.36094464085647 15.999 > 93 97 O 0.38544867110717 0.24663305476960 0.66227671025359 15.999 > 97 98 O 0.88544867110717 0.24663305476960 0.66227671025359 15.999 > 97 99 O 0.38544867110717 0.74663305476960 0.66227671025359 15.999 > 97 100 O 0.88544867110717 0.74663305476960 0.66227671025359 15.999 > 97 101 O 0.31761376628447 0.07621664418173 0.47385633851807 15.999 > 101 102 O 0.81761376628447 0.07621664418173 0.47385633851807 15.999 > 101 103 O 0.31761376628447 0.57621664418173 0.47385633851807 15.999 > 101 104 O 0.81761376628447 0.57621664418173 0.47385633851807 15.999 > 101 105 O 0.34838295065025 0.48292952623431 0.86094464085647 15.999 > 105 106 O 0.84838295065025 0.48292952623431 0.86094464085647 15.999 > 105 107 O 0.34838295065025 0.98292952623431 0.86094464085647 15.999 > 105 108 O 0.84838295065025 0.98292952623431 0.86094464085647 15.999 > 105 109 O 0.18238623371553 0.32621664418173 0.02614366148193 15.999 > 109 110 O 0.68238623371553 0.32621664418173 0.02614366148193 15.999 > 109 111 O 0.18238623371553 0.82621664418173 0.02614366148193 15.999 > 109 112 O 0.68238623371553 0.82621664418173 0.02614366148193 15.999 > 109 113 O 0.31761376628447 0.17378335581827 0.97385633851807 15.999 > 113 114 O 0.81761376628447 0.17378335581827 0.97385633851807 15.999 > 113 115 O 0.31761376628447 0.67378335581827 0.97385633851807 15.999 > 113 116 O 0.81761376628447 0.67378335581827 0.97385633851807 15.999 > 113 117 O 0.15161704934975 0.01707047376569 0.13905535914353 15.999 > 117 118 O 0.65161704934975 0.01707047376569 0.13905535914353 15.999 > 117 119 O 0.15161704934975 0.51707047376569 0.13905535914353 15.999 > 117 120 O 0.65161704934975 0.51707047376569 0.13905535914353 15.999 > 117 121 O 0.18238623371553 0.42378335581827 0.52614366148193 15.999 > 121 122 O 0.68238623371553 0.42378335581827 0.52614366148193 15.999 > 121 123 O 0.18238623371553 0.92378335581827 0.52614366148193 15.999 > 121 124 O 0.68238623371553 0.92378335581827 0.52614366148193 15.999 > 121 125 O 0.11455132889283 0.25336694523040 0.33772328974641 15.999 > 125 126 O 0.61455132889283 0.25336694523040 0.33772328974641 15.999 > 125 127 O 0.11455132889283 0.75336694523040 0.33772328974641 15.999 > 125 128 O 0.61455132889283 0.75336694523040 0.33772328974641 15.999 > 125 129 O 0.15161704934975 0.23292952623431 0.63905535914353 15.999 > 129 130 O 0.65161704934975 0.23292952623431 0.63905535914353 15.999 > 129 131 O 0.15161704934975 0.73292952623431 0.63905535914353 15.999 > 129 132 O 0.65161704934975 0.73292952623431 0.63905535914353 15.999 > 129 133 O 0.03821737317404 0.36993706481803 0.46861696527333 15.999 > 133 134 O 0.53821737317404 0.36993706481803 0.46861696527333 15.999 > 133 135 O 0.03821737317404 0.86993706481803 0.46861696527333 15.999 > 133 136 O 0.53821737317404 0.86993706481803 0.46861696527333 15.999 > 133 137 O 0.11455132889283 0.49663305476960 0.83772328974641 15.999 > 137 138 O 0.61455132889283 0.49663305476960 0.83772328974641 15.999 > 137 139 O 0.11455132889283 0.99663305476960 0.83772328974641 15.999 > 137 140 O 0.61455132889283 0.99663305476960 0.83772328974641 15.999 > 137 141 O 0.03821737317404 0.38006293518197 0.96861696527333 15.999 > 141 142 O 0.53821737317404 0.38006293518197 0.96861696527333 15.999 > 141 143 O 0.03821737317404 0.88006293518197 0.96861696527333 15.999 > 141 144 O 0.53821737317404 0.88006293518197 0.96861696527333 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8162307 0.0000000 0.0027642 0.0000000 2.8082525 0.0000000 0.0027646 0.0000000 2.8525650 -------------------------- Born effective charges -------------------------- 1 K 1.1920047 0.1858345 -0.0376652 0.1480022 1.0169308 0.1479016 -0.0125268 0.1770570 1.2216599 2 K 1.0910803 -0.1203804 -0.0206318 -0.0847124 1.3477276 -0.0087055 -0.0045159 -0.0450136 1.0703634 3 K 1.1920047 -0.1858345 -0.0376652 -0.1480022 1.0169308 -0.1479016 -0.0125268 -0.1770570 1.2216599 4 K 1.1341211 0.0692043 0.0218447 0.0570691 1.2662219 0.0111161 -0.0010215 -0.0400262 1.1232895 5 K 1.1983719 0.0155803 -0.0096139 0.0412904 0.9976401 0.0932372 -0.0280539 0.1302110 1.2408573 6 K 1.0910803 0.1203804 -0.0206318 0.0847124 1.3477276 0.0087055 -0.0045159 0.0450136 1.0703634 7 K 1.1341211 -0.0692043 0.0218447 -0.0570691 1.2662219 -0.0111161 -0.0010215 0.0400262 1.1232895 8 K 1.1983719 -0.0155803 -0.0096139 -0.0412904 0.9976401 -0.0932372 -0.0280539 -0.1302110 1.2408573 9 K 1.1983719 -0.0155803 -0.0096139 -0.0412904 0.9976401 -0.0932372 -0.0280539 -0.1302110 1.2408573 10 K 1.1341211 -0.0692043 0.0218447 -0.0570691 1.2662219 -0.0111161 -0.0010215 0.0400262 1.1232895 11 K 1.0910803 0.1203804 -0.0206318 0.0847124 1.3477276 0.0087055 -0.0045159 0.0450136 1.0703634 12 K 1.1983719 0.0155803 -0.0096139 0.0412904 0.9976401 0.0932372 -0.0280539 0.1302110 1.2408573 13 K 1.1341211 0.0692043 0.0218447 0.0570691 1.2662219 0.0111161 -0.0010215 -0.0400262 1.1232895 14 K 1.1920047 -0.1858345 -0.0376652 -0.1480022 1.0169308 -0.1479016 -0.0125268 -0.1770570 1.2216599 15 K 1.0910803 -0.1203804 -0.0206318 -0.0847124 1.3477276 -0.0087055 -0.0045159 -0.0450136 1.0703634 16 K 1.1920047 0.1858345 -0.0376652 0.1480022 1.0169308 0.1479016 -0.0125268 0.1770570 1.2216599 17 Ti 2.6687840 -0.0138461 0.0628152 -0.0003988 2.6313514 -0.0479905 0.0540826 -0.0382680 2.8484608 18 Ti 2.6687840 0.0138461 0.0628152 0.0003988 2.6313514 0.0479905 0.0540826 0.0382680 2.8484608 19 Ti 2.6687840 0.0138461 0.0628152 0.0003988 2.6313514 0.0479905 0.0540826 0.0382680 2.8484608 20 Ti 2.6687840 -0.0138461 0.0628152 -0.0003988 2.6313514 -0.0479905 0.0540826 -0.0382680 2.8484608 21 O -2.7073616 -0.5763662 -0.1901344 -0.6131837 -1.4820933 -0.0703949 -0.2598940 -0.0878342 -1.2370500 22 O -1.3491062 -0.1860533 0.4117088 -0.2384914 -1.6402560 0.7470198 0.4601746 0.7132394 -2.5108321 23 O -2.7073616 0.5763662 -0.1901344 0.6131837 -1.4820933 0.0703949 -0.2598940 0.0878342 -1.2370500 24 O -1.2442398 0.0538453 -0.0923774 0.0342377 -1.9325619 0.8837505 -0.0427343 0.8344151 -2.4042897 25 O -1.3491062 0.1860533 0.4117088 0.2384914 -1.6402560 -0.7470198 0.4601746 -0.7132394 -2.5108321 26 O -1.9836543 -0.8607016 -0.1459460 -0.8665982 -2.2049607 -0.2119384 -0.1655109 -0.2184680 -1.3524590 27 O -1.2442398 -0.0538453 -0.0923774 -0.0342377 -1.9325619 -0.8837505 -0.0427343 -0.8344151 -2.4042897 28 O -1.9836543 0.8607016 -0.1459460 0.8665982 -2.2049607 0.2119384 -0.1655109 0.2184680 -1.3524590 29 O -1.9836543 0.8607016 -0.1459460 0.8665982 -2.2049607 0.2119384 -0.1655109 0.2184680 -1.3524590 30 O -1.2442398 -0.0538453 -0.0923774 -0.0342377 -1.9325619 -0.8837505 -0.0427343 -0.8344151 -2.4042897 31 O -1.9836543 -0.8607016 -0.1459460 -0.8665982 -2.2049607 -0.2119384 -0.1655109 -0.2184680 -1.3524590 32 O -1.3491062 0.1860533 0.4117088 0.2384914 -1.6402560 -0.7470198 0.4601746 -0.7132394 -2.5108321 33 O -1.2442398 0.0538453 -0.0923774 0.0342377 -1.9325619 0.8837505 -0.0427343 0.8344151 -2.4042897 34 O -2.7073616 0.5763662 -0.1901344 0.6131837 -1.4820933 0.0703949 -0.2598940 0.0878342 -1.2370500 35 O -1.3491062 -0.1860533 0.4117088 -0.2384914 -1.6402560 0.7470198 0.4601746 0.7132394 -2.5108321 36 O -2.7073616 -0.5763662 -0.1901344 -0.6131837 -1.4820933 -0.0703949 -0.2598940 -0.0878342 -1.2370500 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 ... [ 5 8 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.47, Number of G-points: 297, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/65) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.071 ( 0.000 0.000 0.000) 0.000 1.284 ( 0.000 0.000 0.000) 0.000 1.325 ( 0.000 0.000 0.000) 0.000 1.770 ( 0.000 0.000 0.000) 0.000 1.901 ( 0.000 0.000 0.000) 0.000 2.012 ( 0.000 0.000 0.000) 0.000 2.028 ( 0.000 0.000 0.000) 0.000 2.225 ( 0.000 0.000 0.000) 0.000 2.454 ( 0.000 0.000 0.000) 0.000 2.492 ( 0.000 0.000 0.000) 0.000 2.501 ( 0.000 0.000 0.000) 0.000 2.543 ( 0.000 0.000 0.000) 0.000 2.575 ( 0.000 0.000 0.000) 0.000 2.817 ( 0.000 0.000 0.000) 0.000 2.820 ( 0.000 0.000 0.000) 0.000 2.857 ( 0.000 0.000 0.000) 0.000 2.954 ( 0.000 0.000 0.000) 0.000 2.978 ( 0.000 0.000 0.000) 0.000 3.048 ( 0.000 0.000 0.000) 0.000 3.106 ( 0.000 0.000 0.000) 0.000 3.107 ( 0.000 0.000 0.000) 0.000 3.144 ( 0.000 0.000 0.000) 0.000 3.355 ( 0.000 0.000 0.000) 0.000 3.475 ( 0.000 0.000 0.000) 0.000 3.487 ( 0.000 0.000 0.000) 0.000 3.500 ( 0.000 0.000 0.000) 0.000 3.523 ( 0.000 0.000 0.000) 0.000 3.732 ( 0.000 0.000 0.000) 0.000 3.751 ( 0.000 0.000 0.000) 0.000 3.810 ( 0.000 0.000 0.000) 0.000 3.914 ( 0.000 0.000 0.000) 0.000 3.940 ( 0.000 0.000 0.000) 0.000 3.948 ( 0.000 0.000 0.000) 0.000 4.033 ( 0.000 0.000 0.000) 0.000 4.229 ( 0.000 0.000 0.000) 0.000 4.350 ( 0.000 0.000 0.000) 0.000 4.402 ( 0.000 0.000 0.000) 0.000 4.425 ( 0.000 0.000 0.000) 0.000 4.453 ( 0.000 0.000 0.000) 0.000 4.522 ( 0.000 0.000 0.000) 0.000 4.523 ( 0.000 0.000 0.000) 0.000 4.582 ( 0.000 0.000 0.000) 0.000 4.587 ( 0.000 0.000 0.000) 0.000 4.765 ( 0.000 0.000 0.000) 0.000 4.821 ( 0.000 0.000 0.000) 0.000 4.836 ( 0.000 0.000 0.000) 0.000 4.880 ( 0.000 0.000 0.000) 0.000 4.913 ( 0.000 0.000 0.000) 0.000 5.052 ( 0.000 0.000 0.000) 0.000 5.134 ( 0.000 0.000 0.000) 0.000 5.168 ( 0.000 0.000 0.000) 0.000 5.174 ( 0.000 0.000 0.000) 0.000 5.306 ( 0.000 0.000 0.000) 0.000 5.443 ( 0.000 0.000 0.000) 0.000 5.466 ( 0.000 0.000 0.000) 0.000 5.501 ( 0.000 0.000 0.000) 0.000 5.665 ( 0.000 0.000 0.000) 0.000 5.717 ( 0.000 0.000 0.000) 0.000 5.740 ( 0.000 0.000 0.000) 0.000 5.764 ( 0.000 0.000 0.000) 0.000 5.951 ( 0.000 0.000 0.000) 0.000 6.049 ( 0.000 0.000 0.000) 0.000 6.051 ( 0.000 0.000 0.000) 0.000 6.127 ( 0.000 0.000 0.000) 0.000 6.232 ( 0.000 0.000 0.000) 0.000 6.400 ( 0.000 0.000 0.000) 0.000 6.467 ( 0.000 0.000 0.000) 0.000 6.501 ( 0.000 0.000 0.000) 0.000 6.694 ( 0.000 0.000 0.000) 0.000 8.220 ( 0.000 0.000 0.000) 0.000 8.325 ( 0.000 0.000 0.000) 0.000 8.333 ( 0.000 0.000 0.000) 0.000 8.977 ( 0.000 0.000 0.000) 0.000 9.128 ( 0.000 0.000 0.000) 0.000 9.186 ( 0.000 0.000 0.000) 0.000 9.331 ( 0.000 0.000 0.000) 0.000 9.333 ( 0.000 0.000 0.000) 0.000 9.404 ( 0.000 0.000 0.000) 0.000 9.442 ( 0.000 0.000 0.000) 0.000 9.671 ( 0.000 0.000 0.000) 0.000 9.918 ( 0.000 0.000 0.000) 0.000 10.073 ( 0.000 0.000 0.000) 0.000 10.085 ( 0.000 0.000 0.000) 0.000 10.086 ( 0.000 0.000 0.000) 0.000 10.275 ( 0.000 0.000 0.000) 0.000 10.312 ( 0.000 0.000 0.000) 0.000 10.485 ( 0.000 0.000 0.000) 0.000 10.554 ( 0.000 0.000 0.000) 0.000 10.643 ( 0.000 0.000 0.000) 0.000 19.436 ( 0.000 0.000 0.000) 0.000 19.624 ( 0.000 0.000 0.000) 0.000 19.638 ( 0.000 0.000 0.000) 0.000 19.891 ( 0.000 0.000 0.000) 0.000 19.930 ( 0.000 0.000 0.000) 0.000 20.166 ( 0.000 0.000 0.000) 0.000 20.264 ( 0.000 0.000 0.000) 0.000 20.613 ( 0.000 0.000 0.000) 0.000 20.824 ( 0.000 0.000 0.000) 0.000 21.232 ( 0.000 0.000 0.000) 0.000 21.438 ( 0.000 0.000 0.000) 0.000 21.735 ( 0.000 0.000 0.000) 0.000 21.820 ( 0.000 0.000 0.000) 0.000 21.898 ( 0.000 0.000 0.000) 0.000 21.903 ( 0.000 0.000 0.000) 0.000 22.114 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/65) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.291 ( 17.527 0.000 -8.063) 19.292 0.515 ( 21.335 0.000 12.798) 24.879 0.942 ( 39.728 0.000 18.176) 43.688 1.055 ( 0.764 0.000 -1.113) 1.350 1.454 ( 9.498 0.000 11.939) 15.256 1.476 ( 11.818 0.000 5.607) 13.081 1.708 ( -3.712 0.000 -3.857) 5.353 1.895 ( -5.509 0.000 -3.709) 6.641 1.972 ( 2.120 0.000 9.422) 9.657 2.144 ( 5.987 0.000 -1.110) 6.089 2.192 ( 1.864 0.000 -12.564) 12.702 2.414 ( -4.514 0.000 3.327) 5.608 2.422 ( -1.978 0.000 2.540) 3.219 2.440 ( -6.335 0.000 -4.723) 7.902 2.510 ( -8.251 0.000 6.651) 10.598 2.620 ( 5.063 0.000 -0.534) 5.091 2.716 ( -7.938 0.000 -0.277) 7.943 2.868 ( 6.609 0.000 -0.850) 6.663 2.897 ( 2.454 0.000 2.979) 3.860 2.990 ( 2.394 0.000 -2.550) 3.498 3.003 ( 0.112 0.000 -3.836) 3.838 3.119 ( 2.765 0.000 11.046) 11.387 3.153 ( 0.528 0.000 0.027) 0.529 3.164 ( 6.566 0.000 -2.524) 7.034 3.289 ( 3.921 0.000 -4.952) 6.316 3.291 ( -3.089 0.000 1.549) 3.456 3.367 ( -5.566 0.000 -6.740) 8.742 3.418 ( -4.897 0.000 1.929) 5.263 3.551 ( -4.334 0.000 5.001) 6.617 3.597 ( 6.227 0.000 4.484) 7.674 3.659 ( -5.614 0.000 -0.986) 5.700 3.712 ( 2.303 0.000 -10.031) 10.292 3.802 ( -18.269 0.000 -8.664) 20.219 3.863 ( -4.982 0.000 -0.077) 4.983 3.866 ( -4.159 0.000 0.239) 4.166 3.961 ( 1.599 0.000 10.343) 10.466 4.024 ( 3.558 0.000 0.232) 3.566 4.164 ( -6.881 0.000 0.832) 6.931 4.275 ( 1.659 0.000 -2.596) 3.081 4.393 ( -6.082 0.000 -4.524) 7.580 4.433 ( 4.718 0.000 -3.340) 5.780 4.439 ( -5.226 0.000 -6.383) 8.250 4.512 ( -11.037 0.000 6.564) 12.841 4.518 ( 2.573 0.000 -6.577) 7.063 4.619 ( 6.206 0.000 -2.656) 6.751 4.673 ( 3.145 0.000 3.193) 4.482 4.767 ( 0.227 0.000 -1.646) 1.661 4.806 ( 6.458 0.000 0.713) 6.497 4.826 ( 1.547 0.000 -1.645) 2.258 4.958 ( -2.711 0.000 4.523) 5.274 4.962 ( -1.212 0.000 2.035) 2.368 5.021 ( 0.375 0.000 -2.384) 2.413 5.111 ( -5.285 0.000 1.096) 5.398 5.152 ( 2.676 0.000 -3.073) 4.075 5.233 ( -5.378 0.000 10.922) 12.174 5.426 ( -3.046 0.000 -1.376) 3.342 5.495 ( 2.237 0.000 -2.983) 3.729 5.529 ( 0.644 0.000 2.095) 2.192 5.551 ( 4.583 0.000 -7.331) 8.646 5.685 ( 0.494 0.000 3.104) 3.143 5.850 ( 7.529 0.000 -5.597) 9.381 5.878 ( 12.544 0.000 2.431) 12.777 5.933 ( 0.540 0.000 -0.535) 0.760 6.052 ( 0.644 0.000 -0.745) 0.985 6.061 ( 2.000 0.000 -1.974) 2.810 6.141 ( 0.766 0.000 2.615) 2.725 6.223 ( -3.138 0.000 4.727) 5.674 6.244 ( 0.923 0.000 2.513) 2.677 6.464 ( 0.451 0.000 -1.785) 1.841 6.489 ( -0.801 0.000 0.222) 0.832 6.681 ( -0.839 0.000 -0.716) 1.103 7.091 ( -7.275 0.000 -5.427) 9.076 8.220 ( 0.945 0.000 -2.417) 2.595 8.341 ( -0.629 0.000 3.260) 3.320 8.411 ( 6.844 0.000 4.399) 8.136 8.982 ( 0.741 0.000 -1.451) 1.630 9.086 ( -3.360 0.000 0.379) 3.382 9.234 ( 2.620 0.000 -0.896) 2.769 9.307 ( -1.555 0.000 -0.508) 1.636 9.373 ( 3.911 0.000 -1.083) 4.058 9.474 ( 1.096 0.000 -0.747) 1.327 9.476 ( 6.105 0.000 -1.165) 6.215 9.683 ( 0.674 0.000 2.276) 2.374 9.896 ( -4.007 0.000 1.728) 4.364 9.995 ( -3.355 0.000 -3.493) 4.843 10.100 ( 1.507 0.000 -0.876) 1.743 10.143 ( 0.540 0.000 4.641) 4.672 10.278 ( -1.937 0.000 0.542) 2.011 10.302 ( -0.210 0.000 -0.624) 0.658 10.412 ( -4.456 0.000 -3.047) 5.398 10.581 ( 1.037 0.000 1.950) 2.208 10.707 ( -5.089 0.000 0.183) 5.092 19.441 ( 0.289 0.000 0.452) 0.536 19.628 ( 0.275 0.000 0.645) 0.701 19.636 ( -0.889 0.000 1.313) 1.586 19.947 ( 2.328 0.000 5.723) 6.178 20.220 ( 6.403 0.000 -1.078) 6.493 20.279 ( 1.498 0.000 0.078) 1.500 20.521 ( -11.448 0.000 21.939) 24.747 20.623 ( 1.751 0.000 -2.224) 2.830 21.163 ( -7.418 0.000 0.821) 7.463 21.439 ( 0.110 0.000 -0.019) 0.112 21.549 ( 5.270 0.000 -10.878) 12.088 21.721 ( -1.119 0.000 -0.734) 1.338 21.898 ( 1.473 0.000 -1.355) 2.002 21.912 ( 0.744 0.000 0.231) 0.779 22.113 ( -0.338 0.000 -0.855) 0.919 22.604 ( 0.791 0.000 -4.674) 4.741 ======================= Grid point 2 (3/65) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( 7.210 0.000 -2.256) 7.555 0.969 ( 15.720 0.000 9.010) 18.119 1.078 ( 1.008 0.000 0.440) 1.099 1.501 ( -8.646 0.000 -6.491) 10.811 1.570 ( 9.828 0.000 7.806) 12.551 1.712 ( 3.780 0.000 8.332) 9.149 1.813 ( 4.336 0.000 -2.792) 5.157 1.946 ( 24.506 0.000 11.631) 27.126 2.070 ( 2.854 0.000 1.150) 3.077 2.113 ( -7.719 0.000 -0.482) 7.734 2.190 ( 6.643 0.000 -3.684) 7.597 2.328 ( 1.225 0.000 -6.557) 6.670 2.385 ( -10.250 0.000 7.197) 12.525 2.422 ( 4.866 0.000 -8.350) 9.664 2.453 ( -0.330 0.000 11.725) 11.729 2.556 ( -5.617 0.000 -3.470) 6.602 2.652 ( 0.261 0.000 -0.073) 0.271 2.860 ( -16.936 0.000 -6.009) 17.971 2.961 ( -0.564 0.000 -2.590) 2.650 2.986 ( 2.416 0.000 1.872) 3.057 3.056 ( -3.359 0.000 -4.402) 5.537 3.057 ( 9.654 0.000 0.853) 9.691 3.173 ( -3.816 0.000 1.456) 4.084 3.206 ( -1.771 0.000 2.205) 2.828 3.236 ( -9.229 0.000 -2.982) 9.698 3.321 ( 1.178 0.000 -2.467) 2.734 3.344 ( 4.898 0.000 7.719) 9.142 3.370 ( -2.595 0.000 -3.478) 4.339 3.429 ( 3.863 0.000 -4.368) 5.832 3.519 ( 0.397 0.000 0.952) 1.032 3.623 ( -3.824 0.000 2.321) 4.473 3.638 ( -1.211 0.000 -0.948) 1.537 3.711 ( -4.462 0.000 2.752) 5.242 3.806 ( -1.627 0.000 -0.505) 1.704 3.840 ( 7.943 0.000 -0.931) 7.998 4.058 ( -0.153 0.000 -1.155) 1.165 4.063 ( -2.436 0.000 -1.778) 3.016 4.137 ( 2.985 0.000 15.445) 15.731 4.152 ( -10.757 0.000 -5.357) 12.017 4.264 ( 1.001 0.000 -8.483) 8.542 4.295 ( -4.503 0.000 -1.884) 4.881 4.419 ( -2.754 0.000 -2.965) 4.046 4.422 ( -2.078 0.000 0.597) 2.162 4.560 ( 4.239 0.000 -3.895) 5.756 4.715 ( 0.690 0.000 1.958) 2.076 4.738 ( 5.658 0.000 -0.869) 5.724 4.757 ( -0.303 0.000 -0.539) 0.619 4.868 ( -2.731 0.000 -0.337) 2.752 4.877 ( 3.576 0.000 -1.229) 3.781 4.930 ( -2.371 0.000 1.357) 2.732 4.980 ( 3.911 0.000 -2.192) 4.483 5.011 ( -1.867 0.000 -0.190) 1.877 5.081 ( 2.513 0.000 7.437) 7.850 5.178 ( 2.568 0.000 -3.741) 4.538 5.211 ( -3.739 0.000 6.683) 7.658 5.325 ( -5.599 0.000 -2.663) 6.200 5.492 ( 0.445 0.000 -2.210) 2.254 5.559 ( 1.460 0.000 0.317) 1.494 5.573 ( 0.568 0.000 -0.258) 0.624 5.642 ( -3.512 0.000 -1.633) 3.873 5.958 ( 5.918 0.000 -0.768) 5.968 5.974 ( 1.351 0.000 1.706) 2.176 6.046 ( -0.656 0.000 -2.752) 2.829 6.068 ( 3.097 0.000 1.105) 3.288 6.081 ( 0.950 0.000 -0.773) 1.225 6.192 ( -2.511 0.000 3.000) 3.912 6.196 ( 1.119 0.000 2.648) 2.875 6.352 ( 8.615 0.000 1.809) 8.803 6.460 ( 0.010 0.000 0.176) 0.177 6.487 ( 0.421 0.000 -0.697) 0.814 6.672 ( 1.505 0.000 -0.663) 1.645 6.863 ( -11.202 0.000 -3.339) 11.689 8.221 ( 0.652 0.000 -1.412) 1.555 8.351 ( -0.453 0.000 1.918) 1.970 8.610 ( 7.939 0.000 6.028) 9.968 8.927 ( -4.276 0.000 -5.222) 6.749 9.045 ( -1.216 0.000 0.307) 1.254 9.263 ( 0.789 0.000 0.007) 0.789 9.334 ( 4.583 0.000 2.794) 5.367 9.427 ( 1.919 0.000 -0.776) 2.070 9.490 ( 0.579 0.000 0.242) 0.628 9.508 ( -3.294 0.000 -3.785) 5.018 9.712 ( 0.977 0.000 1.123) 1.489 9.843 ( -0.671 0.000 1.237) 1.407 9.985 ( 3.535 0.000 1.331) 3.777 10.129 ( 1.690 0.000 0.253) 1.708 10.152 ( -8.770 0.000 -2.615) 9.152 10.166 ( -1.011 0.000 0.693) 1.226 10.330 ( 3.236 0.000 0.061) 3.236 10.352 ( -0.502 0.000 -0.947) 1.072 10.593 ( -5.253 0.000 -0.500) 5.277 10.607 ( 0.456 0.000 0.861) 0.975 19.450 ( 0.200 0.000 0.301) 0.362 19.629 ( -0.324 0.000 0.165) 0.364 19.640 ( 0.278 0.000 0.437) 0.518 20.012 ( 0.613 0.000 2.829) 2.894 20.314 ( 1.710 0.000 -0.148) 1.717 20.380 ( 7.547 0.000 2.557) 7.968 20.464 ( -4.306 0.000 4.830) 6.470 20.627 ( 0.707 0.000 -4.521) 4.576 21.004 ( -7.412 0.000 0.906) 7.467 21.441 ( 0.071 0.000 -0.032) 0.078 21.565 ( 1.400 0.000 -2.197) 2.605 21.696 ( -0.553 0.000 -0.548) 0.778 21.928 ( 0.531 0.000 0.174) 0.559 21.942 ( 2.713 0.000 0.392) 2.741 22.079 ( -1.828 0.000 -1.465) 2.343 22.585 ( -0.156 0.000 -1.362) 1.371 ======================= Grid point 5 (4/65) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.329 ( 0.000 20.789 0.000) 20.789 0.431 ( 0.000 22.233 0.000) 22.233 0.919 ( 0.000 43.928 0.000) 43.928 1.373 ( 0.000 25.913 0.000) 25.913 1.383 ( 0.000 6.513 0.000) 6.513 1.452 ( 0.000 10.821 0.000) 10.821 1.863 ( 0.000 9.003 0.000) 9.003 1.917 ( 0.000 1.713 0.000) 1.713 2.016 ( 0.000 0.616 0.000) 0.616 2.133 ( 0.000 8.978 0.000) 8.978 2.227 ( 0.000 0.593 0.000) 0.593 2.391 ( 0.000 -7.419 0.000) 7.419 2.469 ( 0.000 1.601 0.000) 1.601 2.575 ( 0.000 2.614 0.000) 2.614 2.616 ( 0.000 2.469 0.000) 2.469 2.620 ( 0.000 -0.799 0.000) 0.799 2.811 ( 0.000 -1.932 0.000) 1.932 2.919 ( 0.000 4.027 0.000) 4.027 2.928 ( 0.000 -2.025 0.000) 2.025 2.943 ( 0.000 -3.158 0.000) 3.158 2.946 ( 0.000 2.402 0.000) 2.402 3.081 ( 0.000 -3.174 0.000) 3.174 3.122 ( 0.000 1.657 0.000) 1.657 3.135 ( 0.000 2.553 0.000) 2.553 3.155 ( 0.000 3.227 0.000) 3.227 3.337 ( 0.000 -4.264 0.000) 4.264 3.376 ( 0.000 -7.799 0.000) 7.799 3.500 ( 0.000 -1.571 0.000) 1.571 3.501 ( 0.000 1.206 0.000) 1.206 3.550 ( 0.000 2.123 0.000) 2.123 3.721 ( 0.000 -9.151 0.000) 9.151 3.767 ( 0.000 1.073 0.000) 1.073 3.790 ( 0.000 -2.636 0.000) 2.636 3.925 ( 0.000 0.143 0.000) 0.143 3.989 ( 0.000 2.801 0.000) 2.801 3.996 ( 0.000 -2.594 0.000) 2.594 4.077 ( 0.000 4.604 0.000) 4.604 4.205 ( 0.000 -1.592 0.000) 1.592 4.307 ( 0.000 -4.447 0.000) 4.447 4.311 ( 0.000 -2.798 0.000) 2.798 4.405 ( 0.000 -2.694 0.000) 2.694 4.490 ( 0.000 2.672 0.000) 2.672 4.530 ( 0.000 0.610 0.000) 0.610 4.551 ( 0.000 -3.000 0.000) 3.000 4.569 ( 0.000 -2.899 0.000) 2.899 4.687 ( 0.000 6.015 0.000) 6.015 4.746 ( 0.000 -2.665 0.000) 2.665 4.796 ( 0.000 0.791 0.000) 0.791 4.803 ( 0.000 -1.417 0.000) 1.417 4.947 ( 0.000 1.789 0.000) 1.789 4.988 ( 0.000 5.948 0.000) 5.948 5.019 ( 0.000 -3.594 0.000) 3.594 5.065 ( 0.000 -5.273 0.000) 5.273 5.124 ( 0.000 -2.836 0.000) 2.836 5.207 ( 0.000 2.385 0.000) 2.385 5.274 ( 0.000 -5.128 0.000) 5.128 5.389 ( 0.000 -4.874 0.000) 4.874 5.407 ( 0.000 -2.199 0.000) 2.199 5.548 ( 0.000 3.252 0.000) 3.252 5.621 ( 0.000 -2.598 0.000) 2.598 5.740 ( 0.000 0.350 0.000) 0.350 5.766 ( 0.000 2.987 0.000) 2.987 5.916 ( 0.000 -3.750 0.000) 3.750 5.971 ( 0.000 -2.328 0.000) 2.328 5.995 ( 0.000 -1.515 0.000) 1.515 6.130 ( 0.000 4.078 0.000) 4.078 6.147 ( 0.000 0.063 0.000) 0.063 6.263 ( 0.000 -3.718 0.000) 3.718 6.354 ( 0.000 -1.634 0.000) 1.634 6.619 ( 0.000 7.689 0.000) 7.689 6.688 ( 0.000 -1.220 0.000) 1.220 7.458 ( 0.000 -13.838 0.000) 13.838 8.228 ( 0.000 0.672 0.000) 0.672 8.302 ( 0.000 -1.353 0.000) 1.353 8.359 ( 0.000 1.741 0.000) 1.741 8.956 ( 0.000 -3.459 0.000) 3.459 9.131 ( 0.000 0.240 0.000) 0.240 9.139 ( 0.000 -2.607 0.000) 2.607 9.335 ( 0.000 -3.803 0.000) 3.803 9.338 ( 0.000 1.199 0.000) 1.199 9.457 ( 0.000 7.638 0.000) 7.638 9.510 ( 0.000 3.947 0.000) 3.947 9.776 ( 0.000 1.442 0.000) 1.442 9.891 ( 0.000 -3.864 0.000) 3.864 9.952 ( 0.000 -6.761 0.000) 6.761 10.112 ( 0.000 -0.542 0.000) 0.542 10.179 ( 0.000 3.538 0.000) 3.538 10.226 ( 0.000 -2.464 0.000) 2.464 10.340 ( 0.000 3.230 0.000) 3.230 10.367 ( 0.000 -2.657 0.000) 2.657 10.595 ( 0.000 2.669 0.000) 2.669 10.783 ( 0.000 6.820 0.000) 6.820 19.457 ( 0.000 2.106 0.000) 2.106 19.661 ( 0.000 2.057 0.000) 2.057 19.832 ( 0.000 -2.169 0.000) 2.169 20.015 ( 0.000 5.395 0.000) 5.395 20.083 ( 0.000 1.231 0.000) 1.231 20.288 ( 0.000 2.383 0.000) 2.383 20.495 ( 0.000 -6.323 0.000) 6.323 20.984 ( 0.000 -3.542 0.000) 3.542 21.029 ( 0.000 15.050 0.000) 15.050 21.376 ( 0.000 -6.381 0.000) 6.381 21.727 ( 0.000 -3.300 0.000) 3.300 21.753 ( 0.000 -3.471 0.000) 3.471 21.884 ( 0.000 -1.862 0.000) 1.862 21.931 ( 0.000 2.460 0.000) 2.460 22.078 ( 0.000 -0.948 0.000) 0.948 22.104 ( 0.000 -1.168 0.000) 1.168 ======================= Grid point 6 (5/65) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( 14.668 12.532 7.005) 20.525 0.719 ( 13.629 15.565 15.200) 25.672 1.129 ( 20.617 25.246 -0.780) 32.604 1.234 ( -1.497 13.162 -1.180) 13.299 1.539 ( 7.069 5.659 4.912) 10.302 1.649 ( 10.363 15.011 12.033) 21.852 1.773 ( -4.026 7.275 -5.869) 10.178 1.910 ( 0.084 4.897 -2.455) 5.478 2.082 ( 3.824 5.411 1.232) 6.739 2.125 ( -1.162 2.039 -0.384) 2.378 2.242 ( 3.866 2.583 -4.895) 6.751 2.367 ( -5.487 -4.458 -2.473) 7.490 2.394 ( -3.100 -2.674 1.110) 4.241 2.521 ( -2.514 4.666 -2.405) 5.820 2.538 ( -8.447 5.735 6.000) 11.843 2.652 ( 2.182 2.071 -5.643) 6.394 2.684 ( -8.756 0.004 2.518) 9.111 2.855 ( 2.305 -1.460 0.184) 2.735 2.896 ( -2.578 1.225 4.419) 5.260 2.984 ( 2.450 0.006 -5.808) 6.304 2.996 ( 3.232 -1.335 2.380) 4.230 3.121 ( 2.728 -1.656 2.506) 4.057 3.141 ( 0.145 -3.452 1.227) 3.666 3.202 ( 5.539 3.519 0.423) 6.576 3.214 ( 2.036 1.002 1.744) 2.862 3.254 ( -1.862 -3.448 -1.066) 4.061 3.438 ( -1.289 3.055 -4.281) 5.415 3.484 ( 3.955 -5.340 0.344) 6.653 3.491 ( -0.394 2.537 -2.211) 3.388 3.568 ( -1.882 0.881 3.734) 4.273 3.669 ( -6.422 1.467 0.883) 6.646 3.736 ( 3.230 -3.008 -4.398) 6.231 3.824 ( -2.980 -0.792 1.772) 3.556 3.858 ( -15.803 1.782 -5.848) 16.944 3.882 ( -3.697 3.051 -0.787) 4.858 3.968 ( -0.285 -0.061 3.053) 3.066 4.058 ( 2.048 2.614 1.789) 3.772 4.121 ( -5.103 -3.080 3.464) 6.894 4.189 ( -0.177 -5.559 -1.737) 5.827 4.390 ( -2.708 -5.106 -0.237) 5.785 4.396 ( 0.984 -2.017 -5.361) 5.812 4.465 ( 0.293 1.376 -1.676) 2.188 4.481 ( -3.717 -0.225 -0.925) 3.837 4.527 ( -0.207 -1.444 -3.104) 3.429 4.543 ( -3.739 0.363 -1.893) 4.207 4.731 ( 3.870 -1.177 0.817) 4.127 4.750 ( 2.940 -0.827 -3.762) 4.846 4.798 ( 0.061 2.381 0.448) 2.423 4.859 ( 3.463 1.628 2.800) 4.742 4.957 ( -2.449 0.526 1.002) 2.698 4.984 ( -3.096 0.280 0.528) 3.154 5.011 ( 0.829 -1.449 -0.589) 1.771 5.081 ( 0.557 -3.259 0.014) 3.306 5.120 ( -2.354 -4.616 2.711) 5.848 5.195 ( -3.611 -1.363 3.476) 5.194 5.320 ( 1.942 -9.300 -4.482) 10.505 5.447 ( 7.966 -4.159 -6.701) 11.210 5.474 ( 2.377 -2.029 4.544) 5.515 5.574 ( 0.755 1.818 1.287) 2.352 5.657 ( 2.535 -2.254 3.054) 4.565 5.804 ( 2.955 -4.121 3.581) 6.208 5.866 ( 1.373 -0.564 -2.627) 3.017 5.875 ( 9.549 -0.803 -2.199) 9.832 5.963 ( 1.861 -5.790 1.524) 6.269 6.097 ( 0.368 -1.009 3.105) 3.286 6.118 ( -0.384 -1.033 1.345) 1.738 6.146 ( -2.132 -1.411 3.333) 4.201 6.300 ( 4.675 1.220 -4.393) 6.530 6.362 ( 0.678 -2.840 1.270) 3.184 6.593 ( -1.051 8.119 0.371) 8.195 6.681 ( -0.484 -0.862 -0.346) 1.047 7.238 ( -12.924 -0.087 -6.630) 14.525 8.219 ( 0.429 0.138 -1.410) 1.481 8.343 ( -0.586 0.111 3.095) 3.152 8.396 ( 5.349 -1.396 3.303) 6.440 8.936 ( -1.745 -5.510 -2.479) 6.289 9.086 ( -2.344 0.597 1.563) 2.880 9.174 ( 1.727 -2.184 2.834) 3.973 9.313 ( 2.872 -1.569 -4.157) 5.290 9.403 ( 3.477 -3.891 -2.670) 5.862 9.411 ( -0.118 3.893 -2.309) 4.527 9.589 ( 3.706 7.430 5.498) 9.958 9.744 ( -1.337 4.381 -1.736) 4.899 9.854 ( -6.304 -4.771 1.539) 8.055 9.956 ( 1.724 -4.241 -2.187) 5.073 10.139 ( -0.649 -2.751 -0.161) 2.831 10.160 ( -0.051 3.018 -1.760) 3.494 10.240 ( 0.163 2.103 4.603) 5.063 10.326 ( -0.657 2.104 0.255) 2.219 10.390 ( 1.268 1.697 -1.936) 2.870 10.588 ( -0.229 1.347 1.293) 1.881 10.779 ( -3.985 4.015 1.159) 5.775 19.463 ( 0.453 2.308 0.422) 2.390 19.661 ( 0.143 2.752 -0.632) 2.827 19.759 ( -6.957 8.843 -2.918) 11.624 19.893 ( 1.236 -3.289 5.536) 6.557 20.197 ( 5.134 -1.224 0.744) 5.330 20.334 ( 3.443 4.097 0.583) 5.383 20.403 ( -4.311 -3.311 6.146) 8.205 20.886 ( -8.868 12.832 -3.260) 15.935 21.082 ( -1.863 -6.627 3.157) 7.573 21.422 ( 1.125 -0.754 5.109) 5.285 21.597 ( -1.353 2.788 -12.422) 12.802 21.709 ( -1.014 -2.444 -1.173) 2.894 21.801 ( 2.213 -6.565 0.104) 6.929 21.909 ( 1.263 -0.328 -0.309) 1.341 22.061 ( -1.877 -3.349 -1.366) 4.075 22.509 ( 10.571 -5.934 3.749) 12.689 ======================= Grid point 7 (6/65) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 8.047 21.381 0.658) 22.855 1.018 ( 9.631 8.102 6.809) 14.310 1.207 ( 0.229 11.786 0.532) 11.800 1.513 ( -1.700 1.312 -3.615) 4.205 1.574 ( 6.849 1.810 7.741) 10.493 1.797 ( 2.112 7.793 4.694) 9.340 1.865 ( 5.542 3.562 -0.183) 6.591 1.998 ( 10.408 2.790 5.877) 12.274 2.057 ( -5.315 -0.859 -2.796) 6.066 2.168 ( 4.654 7.760 3.566) 9.726 2.236 ( -4.936 1.627 -7.963) 9.509 2.283 ( 3.253 -3.477 -2.957) 5.605 2.348 ( 0.515 -2.086 -2.635) 3.400 2.465 ( -2.607 3.170 -3.476) 5.379 2.494 ( -6.984 -0.254 6.181) 9.330 2.554 ( 6.054 5.907 2.222) 8.746 2.664 ( 0.596 1.613 -0.967) 1.973 2.819 ( -1.865 -4.764 -0.835) 5.184 2.884 ( -12.090 2.674 0.204) 12.384 2.978 ( -2.398 -4.884 -1.476) 5.638 3.058 ( -0.085 5.161 -1.641) 5.417 3.104 ( 7.267 1.759 -0.829) 7.523 3.199 ( 3.505 -1.067 3.266) 4.908 3.228 ( -0.513 0.088 1.010) 1.136 3.287 ( -2.685 1.128 -2.326) 3.727 3.323 ( 1.830 4.195 3.019) 5.483 3.374 ( -2.056 3.345 -1.045) 4.063 3.436 ( -3.367 7.101 1.394) 7.982 3.478 ( 0.117 -0.197 -3.096) 3.104 3.527 ( -0.830 1.461 -2.890) 3.343 3.590 ( -2.235 -1.813 6.681) 7.275 3.649 ( 0.952 1.113 -2.110) 2.568 3.725 ( -0.767 1.956 -2.767) 3.474 3.784 ( -4.554 -0.842 1.481) 4.862 3.876 ( 5.383 2.108 -0.292) 5.788 4.011 ( 1.911 -2.924 0.876) 3.601 4.065 ( -3.770 -0.249 1.488) 4.061 4.135 ( -1.279 -0.446 1.939) 2.365 4.175 ( -2.618 -0.278 1.603) 3.083 4.207 ( -3.499 -3.135 -3.184) 5.675 4.317 ( -2.863 1.044 -3.113) 4.356 4.418 ( 0.045 -0.000 -2.287) 2.288 4.461 ( -3.924 0.408 -0.898) 4.046 4.513 ( 1.998 -0.739 -2.196) 3.059 4.598 ( 4.499 -6.301 0.532) 7.761 4.735 ( 1.159 -2.178 -1.027) 2.672 4.796 ( -0.624 1.557 -0.649) 1.798 4.819 ( 2.269 -4.680 -1.508) 5.415 4.884 ( -1.181 0.914 -0.068) 1.495 4.932 ( -1.683 0.357 0.972) 1.976 4.995 ( 3.282 -2.094 -0.212) 3.899 5.029 ( 0.621 0.255 0.013) 0.672 5.064 ( -1.973 -0.965 4.847) 5.322 5.103 ( 1.238 -4.878 -2.300) 5.533 5.157 ( -2.548 -4.325 3.261) 5.986 5.294 ( -1.419 -3.048 -2.043) 3.934 5.494 ( 1.484 0.288 -0.984) 1.803 5.527 ( 1.018 -1.294 0.605) 1.754 5.578 ( -0.431 -0.580 -0.223) 0.756 5.641 ( -3.037 -0.267 -1.739) 3.510 5.873 ( 3.607 -9.170 1.957) 10.046 5.937 ( 3.720 -2.977 -1.347) 4.952 6.003 ( 2.202 -1.088 0.511) 2.509 6.036 ( -1.364 -8.768 -0.524) 8.889 6.092 ( 3.474 1.787 -0.771) 3.981 6.111 ( -2.197 -5.583 3.251) 6.824 6.184 ( 3.048 0.566 5.668) 6.461 6.322 ( 1.933 1.012 -5.293) 5.725 6.373 ( -1.366 -2.935 1.661) 3.639 6.623 ( 2.442 7.350 0.549) 7.764 6.679 ( 1.502 -0.782 -0.610) 1.800 6.973 ( -9.625 4.719 -3.047) 11.144 8.221 ( 0.579 0.166 -1.133) 1.283 8.344 ( -0.694 -0.612 1.726) 1.959 8.571 ( 7.717 -3.948 5.582) 10.310 8.832 ( -5.592 -7.923 -5.078) 10.946 9.076 ( -0.176 1.508 0.546) 1.613 9.219 ( 0.041 -2.526 1.069) 2.743 9.360 ( 5.379 0.754 -0.492) 5.454 9.414 ( 1.302 -1.964 -0.418) 2.393 9.460 ( 2.666 -1.757 -0.395) 3.217 9.600 ( -7.829 5.769 -2.510) 10.044 9.720 ( 2.242 1.892 5.538) 6.267 9.794 ( -0.876 -2.589 -2.355) 3.608 9.971 ( 1.292 -4.711 -0.060) 4.886 10.080 ( -3.326 0.811 -1.123) 3.603 10.176 ( 1.931 3.986 -0.507) 4.458 10.271 ( -0.633 7.642 1.196) 7.761 10.328 ( 0.930 0.800 0.085) 1.230 10.405 ( 1.906 4.347 -0.116) 4.748 10.591 ( -0.797 -0.370 0.433) 0.980 10.673 ( -4.978 4.447 -0.103) 6.676 19.475 ( 0.302 2.627 0.316) 2.663 19.659 ( 0.065 3.076 -0.345) 3.096 19.685 ( -1.289 4.368 0.163) 4.557 19.954 ( 0.916 -4.759 2.251) 5.343 20.308 ( 3.348 -1.465 4.199) 5.567 20.366 ( 1.279 -0.409 -3.348) 3.608 20.468 ( 3.890 1.913 7.965) 9.068 20.692 ( -5.751 3.169 -9.072) 11.199 20.983 ( -6.389 -2.123 1.456) 6.888 21.470 ( 0.726 3.483 1.936) 4.050 21.560 ( 1.146 -1.655 -3.117) 3.711 21.688 ( -0.359 -1.286 -0.644) 1.482 21.872 ( 3.801 -8.032 2.282) 9.174 21.929 ( 1.011 -1.371 -1.854) 2.518 21.993 ( -3.614 -2.228 -1.020) 4.367 22.612 ( 1.478 0.905 0.190) 1.744 ======================= Grid point 10 (7/65) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 0.000 18.326 0.000) 18.326 0.825 ( 0.000 19.390 0.000) 19.390 1.439 ( 0.000 2.579 0.000) 2.579 1.514 ( 0.000 9.734 0.000) 9.734 1.711 ( 0.000 16.723 0.000) 16.723 1.856 ( 0.000 21.249 0.000) 21.249 1.977 ( 0.000 4.582 0.000) 4.582 2.020 ( 0.000 7.670 0.000) 7.670 2.175 ( 0.000 13.789 0.000) 13.789 2.198 ( 0.000 -1.919 0.000) 1.919 2.266 ( 0.000 4.910 0.000) 4.910 2.348 ( 0.000 3.564 0.000) 3.564 2.495 ( 0.000 1.415 0.000) 1.415 2.630 ( 0.000 4.048 0.000) 4.048 2.646 ( 0.000 -0.320 0.000) 0.320 2.680 ( 0.000 6.933 0.000) 6.933 2.709 ( 0.000 -7.350 0.000) 7.350 2.855 ( 0.000 -3.743 0.000) 3.743 2.945 ( 0.000 -0.932 0.000) 0.932 2.956 ( 0.000 1.051 0.000) 1.051 3.015 ( 0.000 4.121 0.000) 4.121 3.050 ( 0.000 2.271 0.000) 2.271 3.157 ( 0.000 -1.367 0.000) 1.367 3.206 ( 0.000 5.264 0.000) 5.264 3.248 ( 0.000 -1.576 0.000) 1.576 3.260 ( 0.000 3.743 0.000) 3.743 3.294 ( 0.000 1.312 0.000) 1.312 3.395 ( 0.000 -8.850 0.000) 8.850 3.504 ( 0.000 -0.800 0.000) 0.800 3.556 ( 0.000 -3.021 0.000) 3.021 3.595 ( 0.000 2.209 0.000) 2.209 3.752 ( 0.000 -2.738 0.000) 2.738 3.788 ( 0.000 0.987 0.000) 0.987 3.906 ( 0.000 -5.815 0.000) 5.815 3.952 ( 0.000 3.215 0.000) 3.215 3.995 ( 0.000 -1.462 0.000) 1.462 4.175 ( 0.000 4.449 0.000) 4.449 4.193 ( 0.000 0.142 0.000) 0.142 4.219 ( 0.000 -11.291 0.000) 11.291 4.274 ( 0.000 0.751 0.000) 0.751 4.312 ( 0.000 -4.522 0.000) 4.522 4.477 ( 0.000 -5.162 0.000) 5.162 4.488 ( 0.000 -2.750 0.000) 2.750 4.537 ( 0.000 1.669 0.000) 1.669 4.540 ( 0.000 0.278 0.000) 0.278 4.713 ( 0.000 -1.236 0.000) 1.236 4.739 ( 0.000 -4.257 0.000) 4.257 4.758 ( 0.000 1.765 0.000) 1.765 4.869 ( 0.000 -4.880 0.000) 4.880 4.884 ( 0.000 6.907 0.000) 6.907 4.950 ( 0.000 -5.573 0.000) 5.573 4.988 ( 0.000 -7.720 0.000) 7.720 5.067 ( 0.000 1.224 0.000) 1.224 5.078 ( 0.000 1.818 0.000) 1.818 5.230 ( 0.000 4.896 0.000) 4.896 5.280 ( 0.000 4.659 0.000) 4.659 5.346 ( 0.000 -0.944 0.000) 0.944 5.371 ( 0.000 -1.587 0.000) 1.587 5.583 ( 0.000 -1.430 0.000) 1.430 5.616 ( 0.000 4.782 0.000) 4.782 5.755 ( 0.000 0.413 0.000) 0.413 5.778 ( 0.000 -5.077 0.000) 5.077 5.846 ( 0.000 -0.483 0.000) 0.483 5.892 ( 0.000 -6.107 0.000) 6.107 5.977 ( 0.000 -0.751 0.000) 0.751 6.063 ( 0.000 -5.691 0.000) 5.691 6.187 ( 0.000 1.569 0.000) 1.569 6.296 ( 0.000 5.124 0.000) 5.124 6.348 ( 0.000 0.862 0.000) 0.862 6.637 ( 0.000 -4.007 0.000) 4.007 6.722 ( 0.000 2.590 0.000) 2.590 7.105 ( 0.000 -22.546 0.000) 22.546 8.240 ( 0.000 0.539 0.000) 0.539 8.277 ( 0.000 -1.284 0.000) 1.284 8.394 ( 0.000 1.995 0.000) 1.995 8.825 ( 0.000 -9.268 0.000) 9.268 9.137 ( 0.000 1.520 0.000) 1.520 9.138 ( 0.000 0.601 0.000) 0.601 9.292 ( 0.000 -0.511 0.000) 0.511 9.357 ( 0.000 0.621 0.000) 0.621 9.559 ( 0.000 -0.262 0.000) 0.262 9.612 ( 0.000 7.907 0.000) 7.907 9.761 ( 0.000 -6.621 0.000) 6.621 9.776 ( 0.000 -5.074 0.000) 5.074 9.860 ( 0.000 0.166 0.000) 0.166 10.052 ( 0.000 -2.117 0.000) 2.117 10.225 ( 0.000 2.180 0.000) 2.180 10.304 ( 0.000 6.084 0.000) 6.084 10.373 ( 0.000 2.406 0.000) 2.406 10.425 ( 0.000 5.093 0.000) 5.093 10.649 ( 0.000 2.556 0.000) 2.556 10.838 ( 0.000 -0.750 0.000) 0.750 19.510 ( 0.000 3.330 0.000) 3.330 19.684 ( 0.000 -0.046 0.000) 0.046 19.858 ( 0.000 5.146 0.000) 5.146 20.108 ( 0.000 4.075 0.000) 4.075 20.112 ( 0.000 1.679 0.000) 1.679 20.340 ( 0.000 2.479 0.000) 2.479 20.440 ( 0.000 0.890 0.000) 0.890 20.901 ( 0.000 -4.639 0.000) 4.639 21.212 ( 0.000 -10.334 0.000) 10.334 21.290 ( 0.000 10.260 0.000) 10.260 21.581 ( 0.000 -7.571 0.000) 7.571 21.754 ( 0.000 1.043 0.000) 1.043 21.844 ( 0.000 -2.154 0.000) 2.154 21.979 ( 0.000 2.640 0.000) 2.640 22.011 ( 0.000 -4.893 0.000) 4.893 22.110 ( 0.000 0.520 0.000) 0.520 ======================= Grid point 11 (8/65) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 8.485 12.257 3.355) 15.281 0.974 ( 11.665 12.939 8.870) 19.549 1.419 ( -3.509 3.371 1.603) 5.123 1.572 ( 3.645 9.358 2.856) 10.441 1.628 ( 1.461 10.081 -8.690) 13.390 1.855 ( -2.109 10.730 -2.829) 11.295 2.011 ( 2.147 8.956 -1.957) 9.416 2.117 ( 3.294 13.612 -2.533) 14.232 2.125 ( 0.546 2.379 -0.103) 2.443 2.191 ( -0.666 2.858 3.030) 4.218 2.253 ( -3.405 2.323 2.242) 4.692 2.344 ( -1.750 2.747 -6.436) 7.214 2.373 ( 0.382 0.928 -3.355) 3.502 2.591 ( -3.524 3.391 -0.694) 4.940 2.620 ( -2.324 3.002 -1.880) 4.236 2.700 ( -1.820 1.615 2.284) 3.337 2.770 ( -3.982 6.087 -3.040) 7.883 2.823 ( 1.805 -1.501 3.150) 3.929 2.951 ( 0.949 -2.534 5.515) 6.143 2.971 ( -4.723 6.244 8.868) 11.830 2.996 ( -4.096 -2.089 -1.842) 4.953 3.065 ( 4.929 -0.829 -2.274) 5.491 3.142 ( 7.093 5.378 0.720) 8.930 3.198 ( 2.533 0.129 2.911) 3.861 3.242 ( 1.638 -4.028 -0.861) 4.433 3.254 ( 0.597 1.174 -1.696) 2.147 3.376 ( 0.328 -0.426 0.255) 0.595 3.483 ( 2.291 2.054 -0.554) 3.127 3.540 ( 4.711 -1.839 -4.693) 6.899 3.577 ( 2.269 0.947 0.101) 2.461 3.640 ( 4.903 0.160 2.216) 5.383 3.716 ( -5.137 0.778 3.703) 6.380 3.776 ( -2.407 -4.035 -0.106) 4.699 3.894 ( -4.985 1.516 -0.305) 5.220 3.914 ( -2.347 -2.508 1.826) 3.891 3.969 ( -4.766 1.480 -1.198) 5.132 4.044 ( -3.248 -5.425 -0.564) 6.348 4.103 ( -2.175 1.665 -3.809) 4.692 4.165 ( -3.046 3.491 1.148) 4.773 4.285 ( -1.014 -7.697 -3.072) 8.350 4.314 ( -1.471 -2.795 4.553) 5.541 4.457 ( -1.192 -1.101 -1.077) 1.947 4.492 ( -0.475 -3.986 0.954) 4.127 4.527 ( 0.451 3.667 -1.164) 3.873 4.555 ( -0.847 1.444 -1.285) 2.111 4.695 ( -0.021 -4.807 -1.156) 4.944 4.726 ( -1.077 1.084 -2.545) 2.968 4.838 ( 3.710 -1.075 -2.526) 4.615 4.850 ( -0.877 -5.127 -1.345) 5.373 4.919 ( 1.697 0.943 3.003) 3.576 4.940 ( 1.098 -4.770 -1.355) 5.079 5.007 ( -0.230 -1.690 1.582) 2.326 5.041 ( -3.210 4.697 -0.071) 5.690 5.056 ( -0.059 -1.415 -0.533) 1.513 5.175 ( -2.378 0.630 -0.050) 2.460 5.284 ( -0.819 4.221 0.262) 4.307 5.390 ( 4.908 -1.596 -1.896) 5.498 5.447 ( 2.548 -1.532 6.687) 7.318 5.587 ( 1.103 -0.736 -0.207) 1.342 5.629 ( 1.941 -0.354 0.401) 2.013 5.750 ( -3.812 -2.236 2.552) 5.103 5.809 ( -0.573 -4.919 -2.421) 5.513 5.830 ( 2.015 -5.505 1.028) 5.951 5.925 ( 6.492 2.136 0.858) 6.888 5.990 ( -2.123 -7.236 2.869) 8.068 6.104 ( 2.052 -0.459 -0.132) 2.107 6.168 ( -0.220 1.511 0.050) 1.528 6.343 ( 4.692 2.158 -4.993) 7.183 6.360 ( 0.769 1.719 1.373) 2.330 6.625 ( -0.949 -4.045 -0.545) 4.190 6.693 ( -1.734 0.995 0.060) 2.000 7.052 ( -4.448 -16.646 -2.038) 17.350 8.225 ( 0.086 0.438 -0.690) 0.822 8.330 ( 2.050 -1.776 3.410) 4.357 8.381 ( -0.149 0.454 0.123) 0.493 8.785 ( -3.270 -9.513 -2.530) 10.373 9.101 ( -2.800 1.109 0.425) 3.042 9.169 ( 1.210 -0.156 3.231) 3.454 9.285 ( 2.845 0.311 -3.111) 4.228 9.355 ( 2.178 -1.289 -4.641) 5.286 9.457 ( -3.474 -0.636 -5.093) 6.198 9.702 ( 1.343 3.838 6.384) 7.569 9.750 ( -3.958 -5.163 3.252) 7.273 9.799 ( 2.333 -3.660 -3.076) 5.320 9.874 ( 2.469 4.003 1.447) 4.921 10.109 ( 2.708 0.498 0.476) 2.794 10.237 ( 2.445 3.779 -2.450) 5.125 10.334 ( 1.169 5.243 6.120) 8.143 10.365 ( -0.874 2.633 1.372) 3.094 10.462 ( 3.248 4.856 -2.006) 6.177 10.616 ( -2.956 1.268 0.828) 3.321 10.810 ( -3.316 -0.811 -0.053) 3.414 19.522 ( 0.797 3.713 0.868) 3.896 19.709 ( 1.600 1.159 0.627) 2.073 19.860 ( 0.212 3.580 -0.387) 3.607 19.932 ( -9.724 6.869 -0.195) 11.907 20.175 ( 2.401 -1.245 1.052) 2.902 20.352 ( -1.183 -1.003 7.193) 7.358 20.453 ( 2.852 6.319 -2.685) 7.435 20.924 ( -0.273 -5.992 -9.978) 11.642 21.000 ( -9.635 -3.697 1.168) 10.386 21.433 ( 3.654 -5.199 -0.929) 6.422 21.529 ( -2.527 -0.863 -0.323) 2.690 21.699 ( -2.428 2.214 -4.477) 5.553 21.765 ( -0.888 0.224 0.761) 1.191 21.906 ( 0.716 -0.333 -1.676) 1.853 22.021 ( -0.943 -0.281 1.201) 1.553 22.410 ( 11.892 -5.060 7.511) 14.948 ======================= Grid point 12 (9/65) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 7.317 3.499 0.660) 8.137 1.283 ( 10.493 7.756 2.720) 13.329 1.367 ( -3.980 5.190 6.340) 9.109 1.595 ( -0.368 2.172 -0.611) 2.286 1.689 ( 4.122 12.038 0.313) 12.728 1.848 ( 3.487 1.692 4.103) 5.644 1.955 ( -3.869 -0.871 -4.111) 5.712 2.025 ( -0.155 -1.090 -7.249) 7.332 2.119 ( -4.530 9.315 0.254) 10.361 2.210 ( -1.799 1.106 3.500) 4.088 2.249 ( 0.117 4.002 -2.340) 4.637 2.307 ( -1.441 4.472 -7.398) 8.764 2.348 ( -4.308 -2.851 -2.923) 5.935 2.493 ( 3.991 7.469 -2.459) 8.818 2.565 ( -1.928 6.613 2.333) 7.272 2.685 ( 1.929 3.555 1.186) 4.215 2.767 ( 1.910 7.576 3.014) 8.374 2.844 ( 0.069 3.255 0.892) 3.376 2.890 ( -2.706 -3.283 -0.532) 4.287 2.979 ( -4.671 6.064 2.788) 8.146 3.091 ( 6.299 -2.058 1.967) 6.913 3.147 ( -0.937 0.779 0.323) 1.261 3.176 ( 4.886 1.535 -0.577) 5.154 3.249 ( 1.037 -4.216 1.450) 4.577 3.286 ( -2.944 -2.748 4.181) 5.805 3.289 ( 2.641 0.620 -3.735) 4.616 3.421 ( 1.072 0.975 2.022) 2.488 3.460 ( -0.500 3.643 0.013) 3.677 3.561 ( -1.398 1.949 -0.383) 2.429 3.567 ( 0.815 2.673 -2.453) 3.718 3.638 ( -6.319 3.541 1.325) 7.364 3.683 ( 1.245 1.754 -2.980) 3.675 3.747 ( 0.454 0.251 0.646) 0.828 3.782 ( -4.112 -0.025 0.585) 4.154 3.911 ( 5.154 2.883 0.912) 5.976 3.964 ( 2.925 -2.738 -1.168) 4.173 4.067 ( -0.604 0.760 0.992) 1.388 4.081 ( -1.819 -1.729 3.780) 4.537 4.150 ( 1.011 -2.010 0.010) 2.250 4.194 ( -4.602 0.613 -3.158) 5.615 4.308 ( 0.348 -1.729 2.866) 3.365 4.394 ( -5.574 0.290 -2.608) 6.161 4.449 ( -0.489 0.211 0.173) 0.560 4.548 ( 0.720 0.952 0.236) 1.217 4.564 ( 1.193 -0.766 0.165) 1.427 4.655 ( -2.374 -3.724 -2.436) 5.044 4.720 ( 3.892 -4.721 -1.853) 6.393 4.801 ( -3.396 -3.376 -1.961) 5.174 4.866 ( 1.622 -0.059 -2.840) 3.271 4.905 ( -1.173 -4.349 0.345) 4.518 4.949 ( -1.900 2.390 0.056) 3.054 5.008 ( 3.298 0.365 0.246) 3.327 5.051 ( -0.950 -0.213 1.929) 2.160 5.075 ( 1.916 -0.175 1.293) 2.318 5.143 ( -2.716 3.333 2.665) 5.059 5.253 ( -0.493 -0.799 -1.507) 1.776 5.481 ( 4.566 -1.753 -0.739) 4.947 5.518 ( 1.693 -0.091 1.634) 2.355 5.578 ( -4.119 0.714 0.745) 4.246 5.626 ( -1.674 -1.653 -2.105) 3.157 5.721 ( 1.936 -5.666 1.866) 6.271 5.792 ( 0.022 -10.174 -0.274) 10.178 5.897 ( 0.725 -4.938 0.233) 4.997 5.975 ( -2.228 -7.910 0.984) 8.277 6.030 ( 3.846 1.523 2.051) 4.617 6.133 ( 3.528 2.322 -0.524) 4.256 6.208 ( 2.276 0.169 3.334) 4.040 6.326 ( -2.542 -1.530 -6.413) 7.066 6.375 ( -0.173 1.784 0.957) 2.032 6.620 ( 0.846 -4.962 -0.455) 5.054 6.682 ( 0.129 -1.013 0.099) 1.026 6.947 ( -3.794 -7.129 -0.850) 8.120 8.232 ( 0.671 0.949 -0.657) 1.335 8.332 ( -1.318 -0.538 1.100) 1.799 8.477 ( 6.290 -5.430 4.175) 9.299 8.665 ( -6.038 -9.216 -4.571) 11.928 9.088 ( 0.716 0.193 0.663) 0.995 9.183 ( -1.446 -1.792 0.749) 2.422 9.320 ( 1.513 -3.921 -2.995) 5.161 9.355 ( 0.089 -3.298 -1.281) 3.539 9.460 ( 7.086 0.665 -0.099) 7.118 9.635 ( -8.832 -0.643 1.033) 8.916 9.729 ( -0.940 0.033 1.920) 2.138 9.823 ( 1.540 -0.558 -1.404) 2.157 9.943 ( 1.986 7.374 1.532) 7.789 10.162 ( 2.147 5.108 0.852) 5.606 10.262 ( 2.696 4.869 -2.539) 6.117 10.341 ( -2.381 1.784 0.517) 3.020 10.422 ( 2.227 5.500 3.739) 7.014 10.494 ( 1.399 5.220 -0.818) 5.466 10.575 ( -1.654 -1.413 0.428) 2.217 10.725 ( -3.879 1.020 -0.587) 4.054 19.543 ( 0.524 4.327 0.588) 4.398 19.729 ( 0.344 3.353 -0.170) 3.375 19.792 ( -2.712 6.807 -0.934) 7.387 19.887 ( 0.011 -1.204 1.534) 1.950 20.248 ( 3.030 -4.326 2.854) 6.004 20.377 ( -1.254 0.164 3.043) 3.295 20.521 ( 4.964 3.080 3.100) 6.614 20.703 ( -7.142 -0.511 -12.400) 14.319 20.928 ( -3.841 -3.545 2.572) 5.825 21.402 ( 0.525 -15.019 -4.632) 15.726 21.564 ( 0.595 5.573 2.994) 6.355 21.669 ( 0.157 0.634 -1.143) 1.316 21.771 ( 0.384 -1.486 0.793) 1.727 21.897 ( -0.338 -2.027 -1.689) 2.660 22.023 ( -0.002 4.355 1.428) 4.583 22.582 ( 3.162 -4.001 2.033) 5.490 ======================= Grid point 15 (10/65) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 0.000 12.202 0.000) 12.202 1.163 ( 0.000 16.281 0.000) 16.281 1.365 ( 0.000 -7.497 0.000) 7.497 1.551 ( 0.000 -3.360 0.000) 3.360 1.971 ( 0.000 9.558 0.000) 9.558 2.035 ( 0.000 2.337 0.000) 2.337 2.092 ( 0.000 5.900 0.000) 5.900 2.141 ( 0.000 1.024 0.000) 1.024 2.214 ( 0.000 0.713 0.000) 0.713 2.269 ( 0.000 4.521 0.000) 4.521 2.442 ( 0.000 4.207 0.000) 4.207 2.491 ( 0.000 9.015 0.000) 9.015 2.528 ( 0.000 -4.136 0.000) 4.136 2.558 ( 0.000 5.697 0.000) 5.697 2.668 ( 0.000 -0.214 0.000) 0.214 2.695 ( 0.000 -2.818 0.000) 2.818 2.745 ( 0.000 -0.685 0.000) 0.685 2.817 ( 0.000 -0.539 0.000) 0.539 2.922 ( 0.000 -3.253 0.000) 3.253 2.948 ( 0.000 6.818 0.000) 6.818 3.066 ( 0.000 0.467 0.000) 0.467 3.101 ( 0.000 -0.040 0.000) 0.040 3.179 ( 0.000 3.206 0.000) 3.206 3.239 ( 0.000 3.455 0.000) 3.455 3.301 ( 0.000 2.956 0.000) 2.956 3.326 ( 0.000 5.408 0.000) 5.408 3.351 ( 0.000 1.004 0.000) 1.004 3.360 ( 0.000 6.179 0.000) 6.179 3.484 ( 0.000 -1.589 0.000) 1.589 3.575 ( 0.000 -3.704 0.000) 3.704 3.616 ( 0.000 -0.077 0.000) 0.077 3.647 ( 0.000 -1.004 0.000) 1.004 3.778 ( 0.000 -4.707 0.000) 4.707 3.900 ( 0.000 -13.654 0.000) 13.654 3.902 ( 0.000 6.283 0.000) 6.283 4.002 ( 0.000 -1.743 0.000) 1.743 4.016 ( 0.000 2.221 0.000) 2.221 4.167 ( 0.000 -9.626 0.000) 9.626 4.212 ( 0.000 1.794 0.000) 1.794 4.237 ( 0.000 0.950 0.000) 0.950 4.321 ( 0.000 2.668 0.000) 2.668 4.416 ( 0.000 0.935 0.000) 0.935 4.425 ( 0.000 -3.798 0.000) 3.798 4.555 ( 0.000 1.577 0.000) 1.577 4.593 ( 0.000 2.317 0.000) 2.317 4.633 ( 0.000 -0.049 0.000) 0.049 4.758 ( 0.000 -4.653 0.000) 4.653 4.770 ( 0.000 -0.877 0.000) 0.877 4.831 ( 0.000 4.976 0.000) 4.976 4.863 ( 0.000 -3.148 0.000) 3.148 4.877 ( 0.000 -0.973 0.000) 0.973 5.024 ( 0.000 8.031 0.000) 8.031 5.064 ( 0.000 -0.681 0.000) 0.681 5.092 ( 0.000 -0.749 0.000) 0.749 5.283 ( 0.000 -4.714 0.000) 4.714 5.294 ( 0.000 -2.016 0.000) 2.016 5.377 ( 0.000 0.873 0.000) 0.873 5.427 ( 0.000 7.164 0.000) 7.164 5.574 ( 0.000 0.956 0.000) 0.956 5.617 ( 0.000 -6.334 0.000) 6.334 5.663 ( 0.000 -8.289 0.000) 8.289 5.752 ( 0.000 6.086 0.000) 6.086 5.815 ( 0.000 0.355 0.000) 0.355 5.885 ( 0.000 3.803 0.000) 3.803 5.965 ( 0.000 -0.402 0.000) 0.402 6.004 ( 0.000 -0.417 0.000) 0.417 6.169 ( 0.000 -3.489 0.000) 3.489 6.386 ( 0.000 1.134 0.000) 1.134 6.389 ( 0.000 3.367 0.000) 3.367 6.551 ( 0.000 -4.944 0.000) 4.944 6.669 ( 0.000 -19.580 0.000) 19.580 6.710 ( 0.000 -3.566 0.000) 3.566 8.247 ( 0.000 0.226 0.000) 0.226 8.258 ( 0.000 -0.682 0.000) 0.682 8.440 ( 0.000 3.019 0.000) 3.019 8.651 ( 0.000 -8.507 0.000) 8.507 9.155 ( 0.000 1.104 0.000) 1.104 9.165 ( 0.000 1.036 0.000) 1.036 9.320 ( 0.000 3.426 0.000) 3.426 9.363 ( 0.000 0.264 0.000) 0.264 9.480 ( 0.000 -5.124 0.000) 5.124 9.625 ( 0.000 -9.049 0.000) 9.049 9.729 ( 0.000 4.014 0.000) 4.014 9.736 ( 0.000 1.750 0.000) 1.750 9.912 ( 0.000 3.672 0.000) 3.672 10.022 ( 0.000 -1.688 0.000) 1.688 10.278 ( 0.000 3.354 0.000) 3.354 10.358 ( 0.000 0.390 0.000) 0.390 10.470 ( 0.000 6.080 0.000) 6.080 10.513 ( 0.000 3.864 0.000) 3.864 10.680 ( 0.000 0.790 0.000) 0.790 10.779 ( 0.000 -4.637 0.000) 4.637 19.575 ( 0.000 3.433 0.000) 3.433 19.670 ( 0.000 -1.327 0.000) 1.327 19.994 ( 0.000 8.239 0.000) 8.239 20.136 ( 0.000 0.561 0.000) 0.561 20.168 ( 0.000 2.754 0.000) 2.754 20.344 ( 0.000 -2.919 0.000) 2.919 20.524 ( 0.000 7.412 0.000) 7.412 20.831 ( 0.000 -3.541 0.000) 3.541 21.030 ( 0.000 -6.410 0.000) 6.410 21.260 ( 0.000 -10.366 0.000) 10.366 21.612 ( 0.000 8.219 0.000) 8.219 21.779 ( 0.000 1.486 0.000) 1.486 21.807 ( 0.000 -1.849 0.000) 1.849 21.910 ( 0.000 -5.696 0.000) 5.696 22.030 ( 0.000 2.710 0.000) 2.710 22.108 ( 0.000 -0.841 0.000) 0.841 ======================= Grid point 16 (11/65) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 4.050 10.013 -1.860) 10.960 1.210 ( 5.737 12.099 1.494) 13.473 1.365 ( -0.709 -6.896 0.097) 6.933 1.571 ( 1.265 -4.349 -0.975) 4.633 1.833 ( -3.459 8.066 -7.880) 11.795 2.024 ( -4.414 -2.032 -6.791) 8.350 2.088 ( -3.769 5.479 2.043) 6.957 2.110 ( 1.082 4.812 -0.925) 5.019 2.185 ( -3.446 0.991 0.209) 3.592 2.339 ( 1.506 2.477 0.429) 2.930 2.409 ( 2.062 4.267 -4.064) 6.243 2.430 ( -0.324 3.768 -4.352) 5.766 2.469 ( -0.905 13.695 1.909) 13.857 2.633 ( -2.411 0.254 -2.468) 3.460 2.665 ( -2.987 0.911 -5.237) 6.098 2.729 ( 0.246 -0.083 3.608) 3.617 2.746 ( 3.270 -6.076 2.090) 7.209 2.769 ( -0.742 -0.445 3.566) 3.670 2.869 ( -0.613 -4.181 0.765) 4.295 3.025 ( -3.358 1.792 2.258) 4.425 3.035 ( 3.472 0.596 2.644) 4.404 3.119 ( 2.979 -0.802 -2.776) 4.150 3.136 ( -7.061 5.250 2.169) 9.062 3.236 ( -1.073 1.813 3.061) 3.715 3.273 ( 4.280 3.452 1.090) 5.606 3.361 ( 6.007 11.896 -4.638) 14.111 3.438 ( -2.398 2.925 6.686) 7.681 3.450 ( 5.326 -2.513 2.867) 6.550 3.529 ( 0.961 -2.395 -4.605) 5.279 3.592 ( -5.143 -6.027 3.929) 8.844 3.643 ( 4.569 3.461 0.421) 5.747 3.659 ( 6.444 -1.054 -2.069) 6.849 3.760 ( -3.141 -4.305 1.299) 5.485 3.816 ( -5.658 -7.824 -2.768) 10.045 3.889 ( 2.094 -2.616 2.070) 3.938 3.964 ( -4.331 -0.581 -1.536) 4.632 3.973 ( -2.161 3.820 1.579) 4.664 4.132 ( -1.618 -0.033 -5.228) 5.473 4.172 ( -0.129 -3.490 2.189) 4.122 4.280 ( -0.563 2.098 -0.289) 2.191 4.300 ( -0.253 3.867 3.485) 5.212 4.415 ( -0.666 -0.392 0.612) 0.986 4.429 ( -0.380 -1.907 2.597) 3.244 4.554 ( -0.270 1.804 -0.711) 1.957 4.603 ( -0.430 0.562 0.478) 0.854 4.654 ( 0.118 2.671 2.718) 3.813 4.745 ( -4.819 -0.693 1.007) 4.972 4.765 ( 4.140 -5.610 -5.329) 8.776 4.833 ( 2.565 6.435 -5.648) 8.938 4.855 ( -0.798 -2.421 2.909) 3.868 4.953 ( 5.430 -2.400 0.543) 5.961 5.012 ( 0.138 5.368 0.040) 5.370 5.057 ( -0.448 0.672 0.170) 0.826 5.124 ( 2.531 1.523 -0.837) 3.070 5.258 ( -3.842 2.403 -1.907) 4.916 5.291 ( 0.296 -0.532 -3.198) 3.255 5.400 ( 3.903 -2.908 5.959) 7.695 5.435 ( -2.838 2.762 6.087) 7.262 5.569 ( -0.496 0.467 -1.098) 1.292 5.641 ( 2.138 -1.649 -0.963) 2.867 5.670 ( -2.271 -7.822 0.922) 8.197 5.701 ( -3.147 -0.370 2.126) 3.816 5.756 ( -1.766 -0.557 -0.222) 1.865 5.891 ( -3.893 -2.596 -0.531) 4.709 5.975 ( 4.940 2.859 0.453) 5.725 6.103 ( 5.178 0.481 -0.630) 5.238 6.163 ( 0.589 -2.288 -0.795) 2.493 6.345 ( -0.649 -3.340 -6.590) 7.417 6.415 ( 0.250 2.306 1.287) 2.653 6.543 ( -0.915 -3.304 -0.142) 3.432 6.613 ( -1.391 -9.257 -0.206) 9.363 6.749 ( 0.869 -10.842 1.013) 10.923 8.236 ( 0.163 0.789 0.014) 0.806 8.291 ( 1.550 -2.050 2.194) 3.379 8.410 ( -2.204 2.537 -1.181) 3.562 8.611 ( -3.257 -8.353 -2.155) 9.221 9.128 ( -2.033 1.462 -1.206) 2.779 9.155 ( -0.426 -0.618 -0.533) 0.921 9.299 ( -0.971 -0.079 -6.220) 6.295 9.367 ( 2.486 -0.154 -0.132) 2.494 9.403 ( -2.906 -0.080 -3.546) 4.585 9.635 ( -0.751 -7.121 2.547) 7.600 9.742 ( 0.357 1.424 1.600) 2.171 9.769 ( 1.583 0.387 0.832) 1.830 9.999 ( 6.054 6.574 4.683) 10.089 10.120 ( 5.515 0.045 2.848) 6.207 10.302 ( 2.672 3.350 0.238) 4.292 10.375 ( 0.932 0.552 1.181) 1.603 10.455 ( -1.854 4.671 3.686) 6.232 10.539 ( 1.573 2.188 -0.301) 2.711 10.634 ( -3.546 1.437 -0.376) 3.845 10.764 ( -0.904 -3.466 -2.221) 4.214 19.595 ( 1.200 3.827 1.570) 4.307 19.701 ( 2.024 -1.476 1.820) 3.096 19.972 ( -1.914 7.143 -0.335) 7.402 20.064 ( -7.521 7.018 -0.403) 10.295 20.146 ( -0.637 -1.949 0.148) 2.056 20.315 ( -2.853 -3.687 5.325) 7.077 20.578 ( 3.429 6.460 -0.740) 7.351 20.830 ( -0.814 -4.877 1.854) 5.281 20.899 ( -5.805 -2.859 -10.779) 12.572 21.208 ( -1.952 -13.236 -9.797) 16.582 21.634 ( 0.407 6.176 2.920) 6.843 21.730 ( -2.459 0.642 -3.911) 4.664 21.774 ( -0.917 0.914 0.759) 1.501 21.873 ( -0.435 -3.041 -2.186) 3.770 22.072 ( 2.424 5.291 4.833) 7.565 22.308 ( 9.285 -5.851 7.771) 13.447 ======================= Grid point 17 (12/65) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 3.044 5.863 -1.917) 6.879 1.307 ( -1.787 -1.869 -0.246) 2.597 1.441 ( 9.944 1.536 7.250) 12.402 1.547 ( -0.482 -5.772 -3.419) 6.726 1.781 ( -0.153 0.634 -3.126) 3.193 1.878 ( -5.563 -4.335 -7.529) 10.316 1.994 ( -2.779 6.462 3.082) 7.679 2.081 ( -2.262 8.066 -5.891) 10.241 2.187 ( -0.014 4.544 7.134) 8.458 2.294 ( -3.494 -0.338 -4.947) 6.066 2.350 ( -1.159 5.706 -2.179) 6.217 2.369 ( -1.949 6.565 -2.942) 7.453 2.490 ( 0.340 11.890 -0.232) 11.897 2.617 ( 1.060 2.532 -0.046) 2.745 2.656 ( 5.412 0.530 -2.407) 5.947 2.736 ( -2.372 0.353 2.522) 3.480 2.810 ( 2.574 0.193 3.163) 4.083 2.844 ( 2.081 -1.693 0.657) 2.762 2.875 ( 0.174 0.982 0.050) 0.998 2.985 ( -2.305 -6.362 3.744) 7.734 3.058 ( 0.270 -0.613 -2.226) 2.325 3.095 ( -3.193 2.555 3.017) 5.082 3.159 ( 0.976 -0.404 2.557) 2.766 3.206 ( 1.073 -0.076 -3.570) 3.728 3.347 ( 1.195 5.682 1.256) 5.941 3.395 ( -0.730 4.402 1.992) 4.886 3.466 ( -0.278 -5.224 -1.645) 5.484 3.478 ( -1.391 2.546 2.658) 3.935 3.510 ( -2.250 -7.790 0.577) 8.129 3.533 ( 1.402 -0.801 -2.458) 2.940 3.623 ( -5.256 -5.230 0.912) 7.471 3.684 ( 5.464 -1.985 -4.100) 7.114 3.750 ( -0.145 0.570 0.524) 0.787 3.818 ( -5.857 2.652 -0.032) 6.430 3.844 ( 2.871 -2.746 -0.140) 3.975 4.017 ( 7.363 3.281 2.372) 8.403 4.051 ( 2.490 -2.059 3.474) 4.744 4.116 ( 2.538 3.211 -2.821) 4.971 4.170 ( -0.475 -0.964 1.727) 2.035 4.266 ( -3.540 4.787 1.038) 6.044 4.299 ( 1.442 5.694 0.708) 5.917 4.394 ( -4.958 -0.807 1.670) 5.293 4.423 ( 0.483 -3.852 0.287) 3.893 4.516 ( -1.704 3.206 -0.833) 3.725 4.595 ( -0.491 0.730 1.253) 1.531 4.642 ( -4.096 0.521 -1.200) 4.300 4.706 ( 3.472 3.837 0.002) 5.175 4.772 ( -0.734 0.610 -3.676) 3.798 4.842 ( 4.154 1.153 -6.547) 7.839 4.871 ( -1.903 1.474 5.218) 5.746 5.038 ( 1.144 -0.229 -0.368) 1.223 5.049 ( 2.415 2.583 0.521) 3.575 5.060 ( 1.879 0.789 -0.100) 2.040 5.122 ( -2.072 9.172 0.676) 9.428 5.186 ( 0.929 -0.040 -0.235) 0.959 5.265 ( -5.149 -0.706 1.117) 5.316 5.457 ( 3.767 0.398 -0.972) 3.911 5.513 ( 3.048 -1.333 2.430) 4.120 5.558 ( -1.632 -5.134 1.713) 5.653 5.584 ( -3.805 -0.497 1.048) 3.978 5.636 ( -0.376 -3.846 -0.617) 3.913 5.682 ( -0.860 -0.530 -0.434) 1.100 5.773 ( 0.832 -7.556 0.601) 7.626 5.820 ( -3.162 -6.426 -0.822) 7.209 6.054 ( 3.755 -0.046 2.540) 4.534 6.160 ( 1.144 -1.575 -1.395) 2.395 6.185 ( 1.309 -0.715 -0.807) 1.696 6.252 ( -3.017 -5.172 -4.751) 7.644 6.426 ( 0.327 3.381 0.733) 3.475 6.541 ( 0.411 -1.987 0.069) 2.030 6.613 ( 0.321 -5.260 0.168) 5.272 6.755 ( -0.289 -11.251 0.387) 11.261 8.256 ( 1.431 1.574 0.149) 2.133 8.324 ( -1.294 -0.683 0.996) 1.770 8.392 ( 2.884 -2.747 1.491) 4.253 8.506 ( -5.021 -7.195 -3.427) 9.420 9.095 ( -0.441 0.658 -0.199) 0.816 9.150 ( -0.036 -1.577 -0.126) 1.582 9.257 ( 0.608 -2.365 -3.346) 4.143 9.288 ( -2.892 -3.309 -2.390) 5.002 9.491 ( 6.119 2.651 1.278) 6.790 9.602 ( -4.505 -2.497 1.207) 5.290 9.752 ( -0.015 1.775 0.559) 1.861 9.800 ( 0.936 -0.998 0.318) 1.404 10.115 ( 2.289 8.433 1.442) 8.857 10.233 ( 4.483 2.039 2.419) 5.487 10.349 ( 2.281 3.908 -2.801) 5.322 10.379 ( -2.142 2.036 1.307) 3.232 10.473 ( 0.172 0.725 3.823) 3.895 10.534 ( -1.920 -2.506 1.567) 3.525 10.601 ( 0.770 5.117 -1.194) 5.311 10.720 ( -1.229 -1.264 -1.983) 2.653 19.627 ( 0.679 4.331 1.018) 4.501 19.744 ( 0.928 -1.401 0.787) 1.856 19.932 ( -2.436 5.381 1.872) 6.196 19.941 ( -2.442 8.659 -2.596) 9.364 20.156 ( 0.594 -5.222 1.496) 5.465 20.310 ( -1.681 -7.566 3.624) 8.556 20.600 ( -0.092 6.237 -0.702) 6.277 20.736 ( -1.638 4.051 -8.427) 9.493 20.854 ( -0.303 -4.287 4.862) 6.489 21.097 ( -1.239 -15.675 -7.406) 17.381 21.650 ( -0.282 3.291 1.352) 3.569 21.691 ( -0.143 0.923 -1.246) 1.557 21.769 ( -0.177 0.897 0.333) 0.973 21.853 ( -0.298 -2.617 -1.016) 2.823 22.146 ( 1.435 8.278 2.554) 8.781 22.471 ( 3.231 -7.425 2.852) 8.585 ======================= Grid point 20 (13/65) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 0.000 -9.772 0.000) 9.772 1.198 ( 0.000 9.772 0.000) 9.772 1.420 ( 0.000 -10.510 0.000) 10.510 1.420 ( 0.000 10.510 0.000) 10.510 2.072 ( 0.000 -1.074 0.000) 1.074 2.072 ( 0.000 1.074 0.000) 1.074 2.132 ( 0.000 -0.543 0.000) 0.543 2.132 ( 0.000 0.543 0.000) 0.543 2.264 ( 0.000 -5.192 0.000) 5.192 2.264 ( 0.000 5.192 0.000) 5.192 2.429 ( 0.000 -1.132 0.000) 1.132 2.429 ( 0.000 1.132 0.000) 1.132 2.642 ( 0.000 -0.595 0.000) 0.595 2.642 ( 0.000 0.595 0.000) 0.595 2.675 ( 0.000 -2.161 0.000) 2.161 2.675 ( 0.000 2.161 0.000) 2.161 2.804 ( 0.000 -3.758 0.000) 3.758 2.804 ( 0.000 3.758 0.000) 3.758 2.902 ( 0.000 -6.384 0.000) 6.384 2.902 ( 0.000 6.384 0.000) 6.384 3.128 ( 0.000 -2.515 0.000) 2.515 3.128 ( 0.000 2.515 0.000) 2.515 3.239 ( 0.000 -6.485 0.000) 6.485 3.239 ( 0.000 6.485 0.000) 6.485 3.316 ( 0.000 -1.203 0.000) 1.203 3.316 ( 0.000 1.203 0.000) 1.203 3.432 ( 0.000 -4.061 0.000) 4.061 3.432 ( 0.000 4.061 0.000) 4.061 3.553 ( 0.000 -7.696 0.000) 7.696 3.553 ( 0.000 7.696 0.000) 7.696 3.578 ( 0.000 -10.348 0.000) 10.348 3.578 ( 0.000 10.348 0.000) 10.348 3.704 ( 0.000 -6.069 0.000) 6.069 3.704 ( 0.000 6.069 0.000) 6.069 4.016 ( 0.000 -1.214 0.000) 1.214 4.016 ( 0.000 1.214 0.000) 1.214 4.040 ( 0.000 -5.065 0.000) 5.065 4.040 ( 0.000 5.065 0.000) 5.065 4.246 ( 0.000 -0.778 0.000) 0.778 4.246 ( 0.000 0.778 0.000) 0.778 4.351 ( 0.000 -3.186 0.000) 3.186 4.351 ( 0.000 3.186 0.000) 3.186 4.545 ( 0.000 -8.771 0.000) 8.771 4.545 ( 0.000 8.771 0.000) 8.771 4.597 ( 0.000 -2.865 0.000) 2.865 4.597 ( 0.000 2.865 0.000) 2.865 4.726 ( 0.000 -2.770 0.000) 2.770 4.726 ( 0.000 2.770 0.000) 2.770 4.836 ( 0.000 -0.090 0.000) 0.090 4.836 ( 0.000 0.090 0.000) 0.090 5.056 ( 0.000 -3.232 0.000) 3.232 5.056 ( 0.000 3.232 0.000) 3.232 5.098 ( 0.000 -9.896 0.000) 9.896 5.098 ( 0.000 9.896 0.000) 9.896 5.195 ( 0.000 -8.244 0.000) 8.244 5.195 ( 0.000 8.244 0.000) 8.244 5.390 ( 0.000 -2.495 0.000) 2.495 5.390 ( 0.000 2.495 0.000) 2.495 5.558 ( 0.000 -1.626 0.000) 1.626 5.558 ( 0.000 1.626 0.000) 1.626 5.733 ( 0.000 -5.715 0.000) 5.715 5.733 ( 0.000 5.715 0.000) 5.715 5.911 ( 0.000 -3.720 0.000) 3.720 5.911 ( 0.000 3.720 0.000) 3.720 6.029 ( 0.000 -0.258 0.000) 0.258 6.029 ( 0.000 0.258 0.000) 0.258 6.151 ( 0.000 -12.674 0.000) 12.674 6.151 ( 0.000 12.674 0.000) 12.674 6.463 ( 0.000 -4.175 0.000) 4.175 6.463 ( 0.000 4.175 0.000) 4.175 6.613 ( 0.000 -5.581 0.000) 5.581 6.613 ( 0.000 5.581 0.000) 5.581 8.250 ( 0.000 -0.186 0.000) 0.186 8.250 ( 0.000 0.186 0.000) 0.186 8.518 ( 0.000 -5.518 0.000) 5.518 8.518 ( 0.000 5.518 0.000) 5.518 9.171 ( 0.000 -0.362 0.000) 0.362 9.171 ( 0.000 0.362 0.000) 0.362 9.372 ( 0.000 -0.120 0.000) 0.120 9.372 ( 0.000 0.120 0.000) 0.120 9.470 ( 0.000 -5.909 0.000) 5.909 9.470 ( 0.000 5.909 0.000) 5.909 9.762 ( 0.000 -0.246 0.000) 0.246 9.762 ( 0.000 0.246 0.000) 0.246 9.978 ( 0.000 -3.046 0.000) 3.046 9.978 ( 0.000 3.046 0.000) 3.046 10.338 ( 0.000 -2.469 0.000) 2.469 10.338 ( 0.000 2.469 0.000) 2.469 10.547 ( 0.000 -1.175 0.000) 1.175 10.547 ( 0.000 1.175 0.000) 1.175 10.702 ( 0.000 -2.572 0.000) 2.572 10.702 ( 0.000 2.572 0.000) 2.572 19.633 ( 0.000 -2.580 0.000) 2.580 19.633 ( 0.000 2.580 0.000) 2.580 20.117 ( 0.000 -3.404 0.000) 3.404 20.117 ( 0.000 3.404 0.000) 3.404 20.244 ( 0.000 -5.992 0.000) 5.992 20.244 ( 0.000 5.992 0.000) 5.992 20.693 ( 0.000 -9.731 0.000) 9.731 20.693 ( 0.000 9.731 0.000) 9.731 21.066 ( 0.000 -8.392 0.000) 8.392 21.066 ( 0.000 8.392 0.000) 8.392 21.751 ( 0.000 -5.361 0.000) 5.361 21.751 ( 0.000 5.361 0.000) 5.361 21.816 ( 0.000 -3.172 0.000) 3.172 21.816 ( 0.000 3.172 0.000) 3.172 22.078 ( 0.000 -2.249 0.000) 2.249 22.078 ( 0.000 2.249 0.000) 2.249 ======================= Grid point 22 (14/65) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 1.928 -8.919 -2.276) 9.405 1.209 ( 1.928 8.919 -2.276) 9.405 1.426 ( 1.775 -10.284 -2.975) 10.851 1.426 ( 1.775 10.284 -2.975) 10.851 1.949 ( -5.351 -4.721 -4.967) 8.695 1.949 ( -5.351 4.721 -4.967) 8.695 2.182 ( 0.560 -2.586 2.328) 3.524 2.182 ( 0.560 2.586 2.328) 3.524 2.231 ( -3.477 -9.521 -1.069) 10.192 2.231 ( -3.477 9.521 -1.069) 10.192 2.482 ( 1.863 -3.888 -1.303) 4.504 2.482 ( 1.863 3.888 -1.303) 4.504 2.621 ( 0.717 -1.520 -2.543) 3.048 2.621 ( 0.717 1.520 -2.543) 3.048 2.652 ( -0.276 -3.414 -1.010) 3.571 2.652 ( -0.276 3.414 -1.010) 3.571 2.786 ( -0.397 -3.846 -1.039) 4.004 2.786 ( -0.397 3.846 -1.039) 4.004 2.881 ( 0.114 -9.019 2.842) 9.457 2.881 ( 0.114 9.019 2.842) 9.457 3.131 ( -1.336 -5.808 -0.563) 5.986 3.131 ( -1.336 5.808 -0.563) 5.986 3.207 ( -1.685 -5.117 2.448) 5.918 3.207 ( -1.685 5.117 2.448) 5.918 3.374 ( 1.157 -6.051 3.896) 7.289 3.374 ( 1.157 6.051 3.896) 7.289 3.502 ( -0.726 -3.725 0.665) 3.853 3.502 ( -0.726 3.725 0.665) 3.853 3.525 ( -2.683 -2.782 0.149) 3.867 3.525 ( -2.683 2.782 0.149) 3.867 3.580 ( 3.081 -8.509 -2.428) 9.370 3.580 ( 3.081 8.509 -2.428) 9.370 3.726 ( 4.416 -2.784 1.810) 5.526 3.726 ( 4.416 2.784 1.810) 5.526 3.935 ( -5.526 -3.520 0.836) 6.606 3.935 ( -5.526 3.520 0.836) 6.606 4.047 ( 1.160 -3.910 -2.535) 4.802 4.047 ( 1.160 3.910 -2.535) 4.802 4.228 ( -1.099 -5.163 1.713) 5.550 4.228 ( -1.099 5.163 1.713) 5.550 4.383 ( 0.167 -3.563 3.578) 5.053 4.383 ( 0.167 3.563 3.578) 5.053 4.522 ( -0.280 -6.608 -1.195) 6.721 4.522 ( -0.280 6.608 -1.195) 6.721 4.648 ( 2.708 -5.668 -3.412) 7.149 4.648 ( 2.708 5.668 -3.412) 7.149 4.712 ( -2.093 -2.769 6.127) 7.042 4.712 ( -2.093 2.769 6.127) 7.042 4.872 ( 4.631 -3.383 -2.948) 6.448 4.872 ( 4.631 3.383 -2.948) 6.448 5.046 ( 0.043 -5.801 -1.072) 5.899 5.046 ( 0.043 5.801 -1.072) 5.899 5.107 ( 1.355 -8.285 -1.251) 8.487 5.107 ( 1.355 8.285 -1.251) 8.487 5.209 ( 0.868 -8.405 -0.477) 8.464 5.209 ( 0.868 8.405 -0.477) 8.464 5.412 ( -0.042 -2.930 5.227) 5.993 5.412 ( -0.042 2.930 5.227) 5.993 5.589 ( 1.561 -0.206 -0.091) 1.577 5.589 ( 1.561 0.206 -0.091) 1.577 5.668 ( -5.372 -5.024 2.010) 7.625 5.668 ( -5.372 5.024 2.010) 7.625 5.848 ( -4.695 -4.484 -1.528) 6.670 5.848 ( -4.695 4.484 -1.528) 6.670 6.076 ( 1.841 -8.353 -1.808) 8.742 6.076 ( 1.841 8.353 -1.808) 8.742 6.152 ( 2.639 -7.303 -2.397) 8.127 6.152 ( 2.639 7.303 -2.397) 8.127 6.467 ( 0.750 -4.006 0.497) 4.106 6.467 ( 0.750 4.006 0.497) 4.106 6.607 ( -0.684 -5.833 0.034) 5.873 6.607 ( -0.684 5.833 0.034) 5.873 8.257 ( 0.546 -1.462 0.996) 1.851 8.257 ( 0.546 1.462 0.996) 1.851 8.482 ( -2.840 -5.248 -1.780) 6.227 8.482 ( -2.840 5.248 -1.780) 6.227 9.147 ( -0.960 -0.555 -2.283) 2.538 9.147 ( -0.960 0.555 -2.283) 2.538 9.312 ( -2.809 -2.131 -4.955) 6.082 9.312 ( -2.809 2.131 -4.955) 6.082 9.501 ( 1.867 -6.807 2.589) 7.518 9.501 ( 1.867 6.807 2.589) 7.518 9.766 ( 0.482 -0.824 0.591) 1.122 9.766 ( 0.482 0.824 0.591) 1.122 10.093 ( 6.919 -3.169 5.147) 9.187 10.093 ( 6.919 3.169 5.147) 9.187 10.360 ( 2.076 -2.298 0.208) 3.104 10.360 ( 2.076 2.298 0.208) 3.104 10.523 ( -3.544 -2.751 3.420) 5.641 10.523 ( -3.544 2.751 3.420) 5.641 10.693 ( 0.494 -3.934 -3.230) 5.114 10.693 ( 0.494 3.934 -3.230) 5.114 19.660 ( 1.604 -2.884 1.977) 3.847 19.660 ( 1.604 2.884 1.977) 3.847 20.087 ( -2.661 -4.438 -0.287) 5.182 20.087 ( -2.661 4.438 -0.287) 5.182 20.205 ( -4.462 -7.378 1.727) 8.794 20.205 ( -4.462 7.378 1.727) 8.794 20.701 ( 0.226 -7.052 2.341) 7.434 20.701 ( 0.226 7.052 2.341) 7.434 20.985 ( -2.557 -9.619 -11.275) 15.040 20.985 ( -2.557 9.619 -11.275) 15.040 21.716 ( -1.616 -2.326 -1.361) 3.142 21.716 ( -1.616 2.326 -1.361) 3.142 21.811 ( -0.251 -2.998 -0.528) 3.054 21.811 ( -0.251 2.998 -0.528) 3.054 22.190 ( 5.811 -6.581 6.767) 11.084 22.190 ( 5.811 6.581 6.767) 11.084 ======================= Grid point 24 (15/65) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 0.683 -6.928 -1.386) 7.098 1.222 ( 0.683 6.928 -1.386) 7.098 1.461 ( 2.899 -2.241 0.140) 3.667 1.461 ( 2.899 2.241 0.140) 3.667 1.808 ( -4.114 -2.714 -6.794) 8.394 1.808 ( -4.114 2.714 -6.794) 8.394 2.127 ( -2.969 -5.621 0.869) 6.416 2.127 ( -2.969 5.621 0.869) 6.416 2.252 ( 1.890 -3.651 2.577) 4.852 2.252 ( 1.890 3.651 2.577) 4.852 2.467 ( -0.014 -1.918 -2.692) 3.306 2.467 ( -0.014 1.918 -2.692) 3.306 2.559 ( -3.038 -2.630 -1.444) 4.270 2.559 ( -3.038 2.630 -1.444) 4.270 2.701 ( 1.982 -4.366 1.054) 4.909 2.701 ( 1.982 4.366 1.054) 4.909 2.819 ( 3.051 -2.234 -1.153) 3.954 2.819 ( 3.051 2.234 -1.153) 3.954 2.934 ( 1.613 -1.991 2.828) 3.817 2.934 ( 1.613 1.991 2.828) 3.817 3.083 ( -3.001 -3.038 -0.256) 4.278 3.083 ( -3.001 3.038 -0.256) 4.278 3.214 ( 0.914 -6.299 2.543) 6.854 3.214 ( 0.914 6.299 2.543) 6.854 3.353 ( -4.305 -5.874 0.619) 7.309 3.353 ( -4.305 5.874 0.619) 7.309 3.432 ( -2.389 -3.082 -0.419) 3.922 3.432 ( -2.389 3.082 -0.419) 3.922 3.502 ( 0.157 -2.987 -0.964) 3.143 3.502 ( 0.157 2.987 -0.964) 3.143 3.620 ( 2.372 -3.872 -2.872) 5.373 3.620 ( 2.372 3.872 -2.872) 5.373 3.758 ( -2.264 -2.521 1.455) 3.688 3.758 ( -2.264 2.521 1.455) 3.688 3.960 ( 2.958 -5.821 1.192) 6.637 3.960 ( 2.958 5.821 1.192) 6.637 4.096 ( 6.303 -3.966 1.322) 7.563 4.096 ( 6.303 3.966 1.322) 7.563 4.220 ( -2.475 -4.318 0.999) 5.076 4.220 ( -2.475 4.318 0.999) 5.076 4.362 ( -3.657 -2.186 1.456) 4.503 4.362 ( -3.657 2.186 1.456) 4.503 4.518 ( 0.586 -4.520 -0.330) 4.570 4.518 ( 0.586 4.520 -0.330) 4.570 4.622 ( -1.328 -4.378 -1.701) 4.881 4.622 ( -1.328 4.378 -1.701) 4.881 4.764 ( 2.517 -2.449 0.579) 3.559 4.764 ( 2.517 2.449 0.579) 3.559 4.947 ( 3.697 -9.119 0.502) 9.853 4.947 ( 3.697 9.119 0.502) 9.853 5.037 ( -0.968 -6.167 -0.298) 6.250 5.037 ( -0.968 6.167 -0.298) 6.250 5.135 ( 1.606 -7.866 -0.686) 8.058 5.135 ( 1.606 7.866 -0.686) 8.058 5.192 ( -1.462 -3.238 -0.761) 3.633 5.192 ( -1.462 3.238 -0.761) 3.633 5.454 ( 0.731 -2.045 2.377) 3.220 5.454 ( 0.731 2.045 2.377) 3.220 5.561 ( -2.409 -2.085 2.273) 3.913 5.561 ( -2.409 2.085 2.273) 3.913 5.641 ( -0.051 -2.929 -0.128) 2.932 5.641 ( -0.051 2.929 -0.128) 2.932 5.745 ( -3.622 -3.008 -1.868) 5.065 5.745 ( -3.622 3.008 -1.868) 5.065 6.064 ( 0.241 -4.149 -2.047) 4.632 6.064 ( 0.241 4.149 -2.047) 4.632 6.199 ( 1.712 -1.123 -0.301) 2.069 6.199 ( 1.712 1.123 -0.301) 2.069 6.499 ( 1.584 -4.473 0.474) 4.769 6.499 ( 1.584 4.473 0.474) 4.769 6.589 ( -0.926 -5.360 -0.059) 5.439 6.589 ( -0.926 5.360 -0.059) 5.439 8.291 ( 1.735 -2.172 1.399) 3.112 8.291 ( 1.735 2.172 1.399) 3.112 8.404 ( -3.015 -3.499 -1.933) 5.007 8.404 ( -3.015 3.499 -1.933) 5.007 9.118 ( -0.566 -1.744 -0.956) 2.068 9.118 ( -0.566 1.744 -0.956) 2.068 9.245 ( -0.888 -1.094 -2.421) 2.801 9.245 ( -0.888 1.094 -2.421) 2.801 9.548 ( 1.017 -3.113 1.296) 3.522 9.548 ( 1.017 3.113 1.296) 3.522 9.781 ( 0.374 -1.179 0.484) 1.328 9.781 ( 0.374 1.179 0.484) 1.328 10.227 ( 3.500 -3.023 1.568) 4.884 10.227 ( 3.500 3.023 1.568) 4.884 10.396 ( 0.808 -0.913 -0.336) 1.265 10.396 ( 0.808 0.913 -0.336) 1.265 10.489 ( -2.089 -1.819 3.619) 4.557 10.489 ( -2.089 1.819 3.619) 4.557 10.680 ( 0.461 -3.117 -2.329) 3.918 10.680 ( 0.461 3.117 -2.329) 3.918 19.699 ( 0.755 -3.193 1.140) 3.473 19.699 ( 0.755 3.193 1.140) 3.473 20.037 ( -1.827 -4.738 0.321) 5.088 20.037 ( -1.827 4.738 0.321) 5.088 20.138 ( -2.398 -9.009 0.302) 9.328 20.138 ( -2.398 9.009 0.302) 9.328 20.744 ( 0.790 -7.357 6.159) 9.627 20.744 ( 0.790 7.357 6.159) 9.627 20.855 ( -1.511 -8.823 -10.700) 13.951 20.855 ( -1.511 8.823 -10.700) 13.951 21.690 ( -0.501 -1.047 -0.273) 1.193 21.690 ( -0.501 1.047 -0.273) 1.193 21.803 ( -0.146 -2.503 -0.306) 2.526 21.803 ( -0.146 2.503 -0.306) 2.526 22.314 ( 2.448 -9.000 2.971) 9.789 22.314 ( 2.448 9.000 2.971) 9.789 ======================= Grid point 45 (16/65) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.292 ( -13.389 0.000 19.129) 23.350 0.511 ( -1.190 0.000 25.044) 25.072 0.807 ( 9.384 0.000 38.684) 39.806 1.060 ( -1.889 0.000 3.921) 4.352 1.493 ( 4.495 0.000 12.731) 13.501 1.498 ( 2.149 0.000 13.676) 13.844 1.593 ( 2.201 0.000 -13.542) 13.720 1.912 ( 4.878 0.000 -10.304) 11.400 1.975 ( 2.129 0.000 3.537) 4.128 2.021 ( -7.187 0.000 0.347) 7.196 2.124 ( -0.767 0.000 -13.242) 13.264 2.335 ( 15.418 0.000 -4.766) 16.138 2.427 ( -1.877 0.000 -2.090) 2.809 2.436 ( -0.511 0.000 -1.426) 1.514 2.606 ( -6.190 0.000 1.967) 6.495 2.635 ( -5.231 0.000 0.515) 5.256 2.750 ( 8.646 0.000 -7.097) 11.186 2.799 ( 0.647 0.000 -7.333) 7.361 2.876 ( -0.653 0.000 1.742) 1.860 2.931 ( 2.600 0.000 6.604) 7.098 2.997 ( 1.626 0.000 -5.384) 5.624 3.088 ( 0.549 0.000 -2.070) 2.142 3.101 ( -0.300 0.000 0.465) 0.553 3.174 ( -2.120 0.000 2.986) 3.662 3.189 ( -2.076 0.000 9.179) 9.411 3.372 ( 7.514 0.000 -1.068) 7.590 3.396 ( -2.142 0.000 -5.079) 5.512 3.465 ( -5.960 0.000 3.325) 6.825 3.512 ( -1.984 0.000 3.054) 3.641 3.606 ( -4.522 0.000 -7.932) 9.131 3.662 ( 2.515 0.000 2.715) 3.701 3.825 ( 7.943 0.000 -4.256) 9.012 3.849 ( -7.833 0.000 4.195) 8.886 3.919 ( -1.574 0.000 -0.415) 1.628 3.954 ( -5.420 0.000 -0.755) 5.473 3.996 ( 2.219 0.000 3.923) 4.507 4.033 ( 0.985 0.000 -1.439) 1.743 4.200 ( 1.465 0.000 -10.337) 10.441 4.244 ( -7.343 0.000 -0.736) 7.380 4.323 ( -0.464 0.000 -1.717) 1.778 4.387 ( 8.227 0.000 -10.453) 13.302 4.394 ( 2.725 0.000 -2.938) 4.007 4.492 ( -7.987 0.000 1.596) 8.145 4.514 ( 6.177 0.000 3.963) 7.339 4.548 ( -0.202 0.000 -4.678) 4.682 4.694 ( 2.548 0.000 -5.034) 5.642 4.706 ( 1.456 0.000 -0.327) 1.492 4.740 ( -6.543 0.000 0.816) 6.594 4.860 ( -3.062 0.000 1.626) 3.467 4.921 ( 2.189 0.000 -1.297) 2.544 5.006 ( -1.365 0.000 1.520) 2.043 5.039 ( 2.386 0.000 4.813) 5.372 5.080 ( 1.356 0.000 -2.556) 2.893 5.208 ( 4.286 0.000 0.663) 4.337 5.221 ( 2.875 0.000 1.920) 3.457 5.415 ( 0.075 0.000 -3.008) 3.009 5.460 ( -2.738 0.000 0.946) 2.897 5.600 ( 0.296 0.000 0.023) 0.297 5.649 ( 5.271 0.000 6.544) 8.403 5.745 ( -0.540 0.000 9.108) 9.124 5.762 ( -6.763 0.000 2.286) 7.139 5.809 ( -10.772 0.000 3.326) 11.273 5.929 ( 0.353 0.000 -0.667) 0.754 5.998 ( 1.335 0.000 -2.233) 2.602 6.030 ( -0.002 0.000 -1.477) 1.477 6.118 ( 2.170 0.000 -1.008) 2.393 6.281 ( 4.949 0.000 5.277) 7.234 6.389 ( -3.993 0.000 -0.001) 3.993 6.464 ( -2.333 0.000 0.174) 2.340 6.540 ( -1.686 0.000 3.485) 3.872 6.670 ( 0.118 0.000 -2.167) 2.170 7.132 ( -2.814 0.000 -8.087) 8.562 8.225 ( -6.146 0.000 0.729) 6.189 8.313 ( 5.041 0.000 -1.164) 5.174 8.416 ( 1.079 0.000 7.058) 7.139 8.936 ( 0.413 0.000 -4.521) 4.540 9.134 ( -0.723 0.000 0.137) 0.736 9.206 ( -0.551 0.000 2.155) 2.225 9.274 ( 1.655 0.000 -4.538) 4.830 9.360 ( -3.250 0.000 3.219) 4.575 9.382 ( 0.156 0.000 -1.961) 1.968 9.553 ( -0.606 0.000 8.968) 8.988 9.717 ( -0.960 0.000 2.847) 3.005 9.860 ( 5.043 0.000 -3.832) 6.334 10.054 ( -4.421 0.000 -2.589) 5.123 10.105 ( 0.073 0.000 1.162) 1.164 10.173 ( -0.303 0.000 0.139) 0.333 10.296 ( 0.950 0.000 1.483) 1.761 10.336 ( -1.996 0.000 1.958) 2.796 10.430 ( -1.354 0.000 -4.121) 4.338 10.565 ( 2.090 0.000 0.133) 2.094 10.620 ( 6.341 0.000 -4.216) 7.614 19.468 ( -0.501 0.000 2.939) 2.982 19.617 ( 0.882 0.000 -0.715) 1.135 19.825 ( -12.072 0.000 0.999) 12.113 19.909 ( 6.650 0.000 1.148) 6.748 20.187 ( -3.468 0.000 2.355) 4.192 20.293 ( 1.696 0.000 2.406) 2.943 20.571 ( 26.756 0.000 -1.988) 26.830 20.574 ( 0.513 0.000 -3.210) 3.251 21.264 ( -0.696 0.000 2.699) 2.787 21.414 ( 3.820 0.000 -2.146) 4.382 21.682 ( -20.767 0.000 1.111) 20.797 21.743 ( -1.078 0.000 0.769) 1.324 21.869 ( -1.447 0.000 -2.700) 3.064 21.876 ( 0.227 0.000 -2.389) 2.400 22.136 ( -1.182 0.000 2.170) 2.471 22.365 ( 5.621 0.000 -2.867) 6.310 ======================= Grid point 46 (17/65) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( 6.310 0.000 17.842) 18.925 0.809 ( 13.968 0.000 19.168) 23.717 1.091 ( 0.926 0.000 5.479) 5.556 1.416 ( 14.864 0.000 12.399) 19.357 1.606 ( 8.096 0.000 5.629) 9.861 1.682 ( 6.649 0.000 3.491) 7.509 1.687 ( 9.927 0.000 4.014) 10.707 1.842 ( -6.325 0.000 1.048) 6.412 1.920 ( -4.736 0.000 -7.148) 8.575 2.024 ( 10.439 0.000 -9.823) 14.334 2.077 ( 5.606 0.000 -2.204) 6.024 2.318 ( -5.827 0.000 -5.075) 7.727 2.350 ( -6.826 0.000 0.425) 6.839 2.500 ( -3.163 0.000 -3.257) 4.540 2.566 ( -2.044 0.000 1.577) 2.581 2.604 ( 6.667 0.000 0.355) 6.676 2.763 ( -1.483 0.000 -1.091) 1.841 2.785 ( -1.694 0.000 -1.896) 2.542 2.863 ( 6.061 0.000 -2.934) 6.734 2.977 ( -5.945 0.000 -3.379) 6.838 3.076 ( 1.449 0.000 -3.264) 3.572 3.087 ( 9.513 0.000 -9.961) 13.774 3.101 ( 5.637 0.000 8.795) 10.447 3.160 ( -3.588 0.000 -0.731) 3.662 3.270 ( 5.347 0.000 4.526) 7.005 3.283 ( -4.690 0.000 -3.022) 5.579 3.397 ( -4.429 0.000 7.058) 8.332 3.435 ( -2.601 0.000 -1.426) 2.967 3.487 ( 2.143 0.000 -8.468) 8.735 3.502 ( -5.460 0.000 -4.409) 7.018 3.623 ( -10.439 0.000 -2.590) 10.756 3.745 ( -9.353 0.000 0.855) 9.392 3.814 ( -3.322 0.000 -2.956) 4.447 3.841 ( 1.051 0.000 13.233) 13.275 3.882 ( -4.980 0.000 2.256) 5.467 4.035 ( 0.700 0.000 0.974) 1.199 4.109 ( 4.233 0.000 1.142) 4.385 4.131 ( -1.630 0.000 -9.064) 9.210 4.150 ( 2.820 0.000 -4.318) 5.157 4.225 ( -1.135 0.000 -7.834) 7.916 4.405 ( -1.380 0.000 -1.762) 2.238 4.412 ( -0.243 0.000 8.052) 8.055 4.471 ( -10.134 0.000 -3.997) 10.894 4.496 ( 1.301 0.000 2.486) 2.806 4.576 ( 6.463 0.000 -3.836) 7.516 4.630 ( 4.065 0.000 -4.517) 6.076 4.709 ( -0.876 0.000 -0.770) 1.166 4.789 ( 0.841 0.000 -0.652) 1.064 4.822 ( 3.716 0.000 -0.407) 3.739 4.927 ( 1.148 0.000 -2.970) 3.184 4.992 ( -2.801 0.000 -1.128) 3.020 5.059 ( 2.298 0.000 4.609) 5.150 5.150 ( 1.383 0.000 2.830) 3.150 5.236 ( -4.280 0.000 6.091) 7.444 5.367 ( 7.391 0.000 -3.350) 8.114 5.376 ( -2.535 0.000 -4.026) 4.758 5.421 ( -2.301 0.000 4.727) 5.257 5.560 ( -2.832 0.000 0.515) 2.878 5.640 ( -5.631 0.000 6.724) 8.770 5.676 ( -3.695 0.000 -4.472) 5.801 5.809 ( 3.568 0.000 1.329) 3.807 5.931 ( 10.296 0.000 1.919) 10.474 5.962 ( 2.358 0.000 2.533) 3.461 6.026 ( 0.527 0.000 -1.140) 1.256 6.039 ( 4.005 0.000 0.431) 4.028 6.166 ( 5.266 0.000 0.149) 5.268 6.304 ( -3.814 0.000 1.710) 4.180 6.375 ( -3.707 0.000 10.505) 11.141 6.442 ( 1.941 0.000 -0.204) 1.951 6.511 ( -2.744 0.000 1.961) 3.373 6.641 ( -0.671 0.000 -2.896) 2.973 6.983 ( -7.077 0.000 -6.679) 9.731 8.195 ( 0.597 0.000 -0.965) 1.135 8.474 ( -1.572 0.000 8.816) 8.955 8.481 ( 11.124 0.000 2.363) 11.373 8.883 ( -1.300 0.000 -8.353) 8.454 9.094 ( -2.017 0.000 -0.670) 2.125 9.201 ( -1.457 0.000 2.720) 3.086 9.268 ( 2.156 0.000 -2.569) 3.354 9.403 ( 2.996 0.000 3.169) 4.361 9.429 ( 4.132 0.000 -3.477) 5.400 9.618 ( -1.081 0.000 11.200) 11.252 9.715 ( 0.744 0.000 -0.808) 1.098 9.900 ( -5.316 0.000 -2.458) 5.857 9.947 ( 2.357 0.000 1.285) 2.684 10.090 ( 0.738 0.000 -1.315) 1.508 10.173 ( -0.240 0.000 0.643) 0.686 10.276 ( -6.502 0.000 -2.474) 6.957 10.309 ( -1.403 0.000 0.934) 1.685 10.352 ( -0.928 0.000 -1.072) 1.418 10.596 ( 1.127 0.000 -0.564) 1.260 10.623 ( -1.616 0.000 -5.927) 6.144 19.479 ( -0.764 0.000 2.910) 3.008 19.627 ( 0.721 0.000 -0.876) 1.134 19.691 ( -4.628 0.000 2.569) 5.293 20.063 ( 1.889 0.000 5.035) 5.378 20.182 ( 6.753 0.000 -3.101) 7.431 20.323 ( 0.101 0.000 3.851) 3.852 20.588 ( 2.338 0.000 -0.083) 2.339 20.634 ( -6.327 0.000 -6.590) 9.136 21.176 ( -9.264 0.000 -0.230) 9.267 21.391 ( -1.834 0.000 -1.457) 2.343 21.583 ( 1.526 0.000 7.477) 7.631 21.710 ( -1.483 0.000 -0.155) 1.491 21.883 ( 3.656 0.000 0.121) 3.658 21.894 ( 2.251 0.000 -1.948) 2.977 22.121 ( -2.106 0.000 1.780) 2.758 22.462 ( 6.010 0.000 -7.203) 9.381 ======================= Grid point 47 (18/65) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 2.765 0.000 14.057) 14.326 1.118 ( -3.549 0.000 3.898) 5.272 1.131 ( -1.987 0.000 5.035) 5.413 1.395 ( 2.469 0.000 -0.766) 2.585 1.684 ( -4.210 0.000 1.788) 4.574 1.698 ( -0.545 0.000 -4.453) 4.486 1.833 ( 0.007 0.000 -2.066) 2.066 1.834 ( 11.566 0.000 -16.202) 19.907 2.090 ( 6.119 0.000 -18.196) 19.197 2.109 ( 3.939 0.000 -10.243) 10.975 2.151 ( -1.779 0.000 0.496) 1.847 2.257 ( -9.141 0.000 12.423) 15.423 2.323 ( 14.059 0.000 9.635) 17.044 2.435 ( 1.653 0.000 -5.770) 6.002 2.510 ( -10.156 0.000 7.183) 12.439 2.553 ( 1.725 0.000 -3.121) 3.566 2.729 ( -1.798 0.000 5.793) 6.065 2.751 ( -8.730 0.000 -2.136) 8.987 2.931 ( 2.462 0.000 -4.378) 5.023 2.938 ( 6.007 0.000 0.697) 6.048 3.071 ( 2.642 0.000 -5.142) 5.781 3.111 ( -1.492 0.000 4.255) 4.509 3.163 ( 2.743 0.000 -2.423) 3.660 3.205 ( -1.883 0.000 3.936) 4.363 3.233 ( 4.058 0.000 -6.617) 7.762 3.267 ( -1.779 0.000 -1.921) 2.618 3.304 ( -7.895 0.000 -3.700) 8.719 3.356 ( -4.630 0.000 4.402) 6.388 3.447 ( 8.450 0.000 2.785) 8.897 3.500 ( 4.924 0.000 -4.515) 6.681 3.566 ( 1.411 0.000 -1.082) 1.779 3.600 ( -4.662 0.000 -5.083) 6.897 3.738 ( -9.722 0.000 -1.425) 9.826 3.806 ( -1.491 0.000 5.210) 5.419 3.935 ( 3.760 0.000 -3.715) 5.286 4.027 ( -3.277 0.000 -3.533) 4.819 4.063 ( -1.914 0.000 8.399) 8.614 4.102 ( 0.706 0.000 6.386) 6.425 4.137 ( -1.357 0.000 -2.341) 2.706 4.276 ( -4.686 0.000 1.262) 4.853 4.341 ( 7.591 0.000 -4.786) 8.974 4.400 ( 0.455 0.000 -1.105) 1.195 4.430 ( -0.756 0.000 -1.760) 1.915 4.546 ( -0.212 0.000 12.247) 12.248 4.627 ( 2.257 0.000 -7.859) 8.177 4.699 ( 6.660 0.000 -2.448) 7.096 4.717 ( 1.150 0.000 -0.116) 1.156 4.833 ( 3.118 0.000 -4.161) 5.199 4.852 ( 1.221 0.000 -1.666) 2.065 4.948 ( 2.159 0.000 -1.067) 2.408 4.953 ( -1.273 0.000 2.858) 3.129 5.079 ( -3.249 0.000 -2.707) 4.229 5.177 ( -0.892 0.000 3.410) 3.525 5.194 ( -6.333 0.000 7.204) 9.592 5.282 ( -0.305 0.000 -0.246) 0.391 5.361 ( -4.612 0.000 4.276) 6.289 5.473 ( 2.964 0.000 -1.255) 3.219 5.550 ( 1.648 0.000 -1.702) 2.369 5.616 ( -1.742 0.000 5.290) 5.569 5.621 ( 0.343 0.000 0.513) 0.617 5.876 ( 3.171 0.000 -2.114) 3.812 6.002 ( 0.263 0.000 -1.888) 1.906 6.024 ( 3.385 0.000 -2.771) 4.375 6.046 ( 1.873 0.000 1.666) 2.506 6.072 ( -0.551 0.000 -1.679) 1.767 6.232 ( -2.688 0.000 0.065) 2.689 6.328 ( -6.932 0.000 8.448) 10.928 6.385 ( 7.283 0.000 1.104) 7.366 6.482 ( -0.845 0.000 1.945) 2.121 6.499 ( 0.440 0.000 2.737) 2.772 6.628 ( 3.278 0.000 -3.311) 4.660 6.799 ( -5.445 0.000 -3.061) 6.246 8.209 ( 1.289 0.000 0.190) 1.303 8.483 ( -4.565 0.000 9.669) 10.693 8.632 ( -1.744 0.000 -5.536) 5.804 8.835 ( 7.044 0.000 -1.880) 7.290 9.068 ( -0.414 0.000 -0.121) 0.432 9.188 ( -1.133 0.000 0.242) 1.159 9.339 ( 2.131 0.000 -3.092) 3.755 9.410 ( 2.255 0.000 -4.781) 5.286 9.468 ( 0.489 0.000 3.974) 4.004 9.665 ( -3.410 0.000 11.689) 12.177 9.741 ( 0.963 0.000 1.432) 1.726 9.805 ( -1.229 0.000 -4.591) 4.753 10.040 ( 3.949 0.000 3.765) 5.456 10.083 ( -7.316 0.000 -3.760) 8.225 10.111 ( 2.160 0.000 -3.254) 3.905 10.155 ( -1.617 0.000 -0.544) 1.706 10.328 ( 2.808 0.000 -0.178) 2.814 10.355 ( 0.378 0.000 0.985) 1.055 10.526 ( -2.640 0.000 -4.642) 5.341 10.595 ( -0.156 0.000 -2.116) 2.122 19.480 ( -1.244 0.000 2.273) 2.591 19.627 ( 0.199 0.000 -1.727) 1.739 19.656 ( -1.381 0.000 2.389) 2.760 20.029 ( -3.974 0.000 -1.262) 4.170 20.319 ( 5.759 0.000 -5.984) 8.305 20.352 ( -0.145 0.000 2.942) 2.945 20.463 ( -6.608 0.000 -3.055) 7.280 20.698 ( 6.989 0.000 8.342) 10.882 20.965 ( -9.439 0.000 -3.904) 10.214 21.370 ( 1.349 0.000 -4.513) 4.710 21.656 ( 0.099 0.000 7.234) 7.235 21.701 ( -0.006 0.000 0.969) 0.969 21.918 ( 1.063 0.000 -0.846) 1.358 21.955 ( 1.696 0.000 0.606) 1.801 22.104 ( -0.723 0.000 4.150) 4.212 22.505 ( 4.313 0.000 -5.837) 7.257 ======================= Grid point 48 (19/65) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( -8.227 0.000 15.704) 17.728 0.732 ( -22.948 0.000 -11.249) 25.557 1.089 ( -3.593 0.000 1.141) 3.770 1.535 ( -12.875 0.000 2.857) 13.188 1.577 ( -10.597 0.000 -1.455) 10.696 1.632 ( 7.566 0.000 7.678) 10.779 1.773 ( -20.341 0.000 -5.779) 21.146 1.839 ( 6.303 0.000 -3.565) 7.241 1.902 ( -10.319 0.000 -9.510) 14.033 2.037 ( 5.025 0.000 -21.401) 21.983 2.115 ( 8.322 0.000 -14.260) 16.511 2.202 ( -2.426 0.000 6.013) 6.484 2.301 ( 7.431 0.000 1.280) 7.541 2.490 ( -5.958 0.000 8.427) 10.320 2.499 ( 5.542 0.000 0.952) 5.623 2.614 ( -1.636 0.000 1.751) 2.396 2.760 ( -0.384 0.000 8.480) 8.489 2.837 ( 0.630 0.000 -7.629) 7.655 2.892 ( -0.808 0.000 -13.779) 13.803 2.988 ( 9.165 0.000 1.239) 9.249 3.064 ( -7.217 0.000 1.120) 7.304 3.110 ( -0.434 0.000 -1.528) 1.588 3.137 ( -5.479 0.000 -0.158) 5.482 3.203 ( 6.080 0.000 -1.351) 6.229 3.253 ( 6.906 0.000 -2.560) 7.365 3.301 ( 5.643 0.000 -5.456) 7.850 3.315 ( -5.031 0.000 7.609) 9.122 3.405 ( 7.880 0.000 2.673) 8.321 3.445 ( -8.995 0.000 -1.038) 9.055 3.529 ( 6.078 0.000 -1.683) 6.306 3.621 ( 3.492 0.000 3.789) 5.153 3.647 ( 5.800 0.000 7.164) 9.218 3.669 ( 9.722 0.000 -5.562) 11.200 3.806 ( 0.607 0.000 2.764) 2.830 3.939 ( -5.294 0.000 -3.609) 6.408 3.974 ( -0.174 0.000 3.261) 3.266 4.078 ( -0.207 0.000 -1.174) 1.192 4.146 ( 2.183 0.000 1.235) 2.508 4.151 ( 3.460 0.000 3.499) 4.921 4.284 ( 1.585 0.000 -0.609) 1.698 4.298 ( -4.277 0.000 -0.458) 4.302 4.449 ( 3.969 0.000 3.366) 5.205 4.507 ( 8.425 0.000 -7.439) 11.239 4.583 ( -0.123 0.000 -4.764) 4.766 4.605 ( -3.921 0.000 4.045) 5.634 4.726 ( -2.313 0.000 -2.180) 3.178 4.729 ( 0.285 0.000 0.390) 0.483 4.805 ( -0.968 0.000 -6.762) 6.830 4.876 ( -4.351 0.000 -8.099) 9.194 4.902 ( 3.723 0.000 -0.429) 3.748 4.988 ( -0.478 0.000 7.194) 7.210 5.016 ( -0.862 0.000 3.101) 3.218 5.164 ( -1.369 0.000 7.710) 7.830 5.173 ( -1.625 0.000 2.317) 2.830 5.294 ( -5.192 0.000 3.698) 6.374 5.354 ( 4.476 0.000 0.126) 4.477 5.493 ( 0.583 0.000 -2.799) 2.859 5.557 ( -0.052 0.000 -0.460) 0.463 5.649 ( 0.694 0.000 5.291) 5.337 5.677 ( 1.439 0.000 3.902) 4.159 5.888 ( 0.372 0.000 -1.638) 1.680 6.000 ( 1.308 0.000 0.058) 1.309 6.015 ( -3.630 0.000 -2.625) 4.480 6.060 ( 2.545 0.000 -2.624) 3.656 6.078 ( 0.737 0.000 -0.781) 1.074 6.150 ( -5.491 0.000 -2.876) 6.198 6.245 ( -8.448 0.000 7.044) 11.000 6.344 ( -6.218 0.000 1.812) 6.477 6.474 ( -0.231 0.000 1.476) 1.494 6.521 ( -0.755 0.000 2.873) 2.971 6.655 ( 0.982 0.000 -2.062) 2.284 6.903 ( 13.403 0.000 -0.465) 13.411 8.251 ( 2.278 0.000 2.063) 3.073 8.454 ( -6.279 0.000 10.828) 12.517 8.458 ( -6.610 0.000 -8.238) 10.562 8.974 ( 3.384 0.000 -1.081) 3.552 9.072 ( -0.026 0.000 2.255) 2.255 9.167 ( 0.491 0.000 -3.476) 3.510 9.245 ( -0.186 0.000 -5.629) 5.632 9.483 ( -2.058 0.000 4.668) 5.101 9.542 ( 5.145 0.000 -0.668) 5.188 9.649 ( -6.474 0.000 8.994) 11.082 9.675 ( -4.224 0.000 -3.361) 5.398 9.802 ( 1.348 0.000 -0.988) 1.671 9.982 ( 0.475 0.000 0.634) 0.792 10.083 ( -1.158 0.000 -6.325) 6.430 10.136 ( -0.300 0.000 0.872) 0.922 10.188 ( 6.978 0.000 1.094) 7.063 10.344 ( -1.610 0.000 2.025) 2.587 10.381 ( 1.494 0.000 1.225) 1.932 10.531 ( 6.425 0.000 -5.657) 8.561 10.563 ( -0.747 0.000 -3.405) 3.486 19.469 ( -1.324 0.000 1.877) 2.297 19.613 ( 0.067 0.000 -2.050) 2.051 19.673 ( 0.670 0.000 5.333) 5.375 19.927 ( -3.524 0.000 -5.174) 6.260 20.309 ( -1.746 0.000 -2.654) 3.176 20.313 ( -3.244 0.000 -7.523) 8.193 20.370 ( -3.917 0.000 5.408) 6.678 20.744 ( -8.458 0.000 1.912) 8.671 20.977 ( 11.841 0.000 1.743) 11.968 21.367 ( 2.305 0.000 -5.597) 6.053 21.707 ( 0.036 0.000 6.968) 6.968 21.718 ( 0.669 0.000 1.416) 1.566 21.920 ( -0.346 0.000 0.142) 0.374 21.944 ( -1.772 0.000 0.430) 1.823 22.146 ( -0.106 0.000 4.778) 4.779 22.542 ( 3.507 0.000 -5.435) 6.469 ======================= Grid point 49 (20/65) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.276 ( -14.205 0.000 12.792) 19.116 0.539 ( -19.508 0.000 13.297) 23.609 1.032 ( -39.567 0.000 18.971) 43.880 1.069 ( -0.388 0.000 2.214) 2.247 1.412 ( -6.159 0.000 7.673) 9.839 1.468 ( -6.643 0.000 4.150) 7.833 1.692 ( -2.369 0.000 -11.391) 11.634 1.856 ( 5.651 0.000 5.878) 8.154 1.918 ( 1.771 0.000 -3.702) 4.104 2.049 ( 11.082 0.000 -15.290) 18.884 2.173 ( 7.847 0.000 -18.185) 19.806 2.199 ( -0.788 0.000 1.375) 1.585 2.449 ( -3.126 0.000 6.029) 6.791 2.487 ( -4.929 0.000 -2.840) 5.689 2.533 ( 10.651 0.000 4.124) 11.421 2.620 ( 3.151 0.000 3.467) 4.684 2.744 ( -0.932 0.000 -7.276) 7.336 2.823 ( 1.302 0.000 -3.629) 3.856 2.853 ( 2.846 0.000 1.015) 3.021 2.912 ( -6.415 0.000 1.172) 6.521 3.023 ( -0.351 0.000 -2.282) 2.309 3.095 ( -0.710 0.000 0.451) 0.841 3.128 ( -0.314 0.000 -5.392) 5.401 3.231 ( -8.168 0.000 5.185) 9.675 3.257 ( -2.827 0.000 -3.610) 4.585 3.284 ( 0.924 0.000 1.959) 2.166 3.399 ( 6.704 0.000 0.042) 6.705 3.400 ( 6.326 0.000 -5.840) 8.610 3.516 ( 7.770 0.000 3.028) 8.339 3.618 ( -7.518 0.000 5.954) 9.590 3.651 ( 7.907 0.000 0.796) 7.947 3.773 ( -5.420 0.000 -4.844) 7.269 3.854 ( 7.867 0.000 1.835) 8.079 3.882 ( 5.586 0.000 3.983) 6.861 3.949 ( -4.861 0.000 6.846) 8.396 3.984 ( 9.002 0.000 2.848) 9.442 4.025 ( -5.858 0.000 -1.221) 5.984 4.235 ( 3.325 0.000 -1.036) 3.483 4.239 ( 10.409 0.000 -14.647) 17.969 4.274 ( 4.297 0.000 -9.448) 10.379 4.301 ( 3.353 0.000 7.857) 8.543 4.469 ( -8.175 0.000 -5.492) 9.848 4.502 ( -3.801 0.000 -1.490) 4.083 4.564 ( 3.962 0.000 2.457) 4.662 4.624 ( 1.023 0.000 1.907) 2.164 4.631 ( -2.404 0.000 -1.537) 2.854 4.719 ( 0.529 0.000 -5.267) 5.294 4.741 ( 1.739 0.000 -2.498) 3.044 4.818 ( 0.437 0.000 -0.588) 0.732 4.932 ( -1.745 0.000 0.430) 1.797 5.006 ( -3.051 0.000 6.340) 7.036 5.038 ( -0.045 0.000 2.829) 2.829 5.142 ( -2.431 0.000 -1.758) 3.000 5.175 ( -0.822 0.000 -0.265) 0.863 5.230 ( -3.748 0.000 2.198) 4.345 5.417 ( 2.407 0.000 -2.030) 3.149 5.470 ( -0.879 0.000 0.144) 0.891 5.570 ( 0.849 0.000 2.789) 2.915 5.661 ( -1.936 0.000 -4.127) 4.559 5.697 ( -2.289 0.000 8.309) 8.618 5.898 ( -7.420 0.000 2.492) 7.828 5.911 ( 1.951 0.000 -0.625) 2.049 6.002 ( -8.502 0.000 6.041) 10.429 6.029 ( -2.473 0.000 -4.169) 4.847 6.047 ( -1.655 0.000 -1.252) 2.076 6.086 ( 2.041 0.000 -1.659) 2.630 6.171 ( 2.231 0.000 -0.116) 2.234 6.343 ( 2.652 0.000 6.586) 7.100 6.499 ( -0.733 0.000 1.093) 1.316 6.519 ( -0.322 0.000 3.818) 3.831 6.664 ( 1.429 0.000 -2.048) 2.497 7.123 ( 10.336 0.000 -5.734) 11.820 8.315 ( -2.513 0.000 -4.883) 5.491 8.320 ( 1.394 0.000 5.119) 5.306 8.404 ( -7.370 0.000 7.791) 10.724 8.958 ( -0.319 0.000 -3.512) 3.526 9.104 ( 1.799 0.000 2.116) 2.777 9.169 ( 2.249 0.000 -1.808) 2.885 9.260 ( 3.386 0.000 -4.987) 6.028 9.457 ( -5.309 0.000 5.164) 7.406 9.471 ( -6.650 0.000 -1.677) 6.858 9.567 ( -6.040 0.000 3.051) 6.766 9.678 ( 2.182 0.000 2.481) 3.304 9.823 ( 3.142 0.000 -5.501) 6.335 10.031 ( 1.700 0.000 -1.187) 2.074 10.056 ( 3.696 0.000 2.047) 4.225 10.150 ( 0.060 0.000 3.294) 3.295 10.276 ( 1.440 0.000 0.018) 1.440 10.341 ( -0.958 0.000 3.280) 3.417 10.430 ( 3.208 0.000 -1.752) 3.656 10.536 ( 0.666 0.000 -1.724) 1.848 10.586 ( 3.201 0.000 -7.613) 8.259 19.462 ( -0.976 0.000 2.194) 2.401 19.607 ( 0.758 0.000 -1.301) 1.505 19.833 ( 11.575 0.000 16.714) 20.331 19.854 ( 0.206 0.000 -3.491) 3.497 20.142 ( -8.404 0.000 -8.075) 11.654 20.246 ( -4.255 0.000 1.955) 4.682 20.339 ( -3.407 0.000 6.237) 7.107 20.622 ( -3.417 0.000 -2.820) 4.430 21.181 ( 6.780 0.000 2.965) 7.400 21.376 ( 2.939 0.000 -5.017) 5.815 21.739 ( 0.366 0.000 1.149) 1.206 21.774 ( 2.770 0.000 2.998) 4.082 21.918 ( -1.665 0.000 0.169) 1.673 21.922 ( -0.165 0.000 2.135) 2.142 22.149 ( -2.005 0.000 2.602) 3.285 22.503 ( -3.649 0.000 -11.491) 12.057 ======================= Grid point 50 (21/65) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 4.112 16.797 15.758) 23.396 0.746 ( 11.079 8.322 26.449) 29.859 0.959 ( -10.273 30.144 6.499) 32.503 1.344 ( -4.694 19.733 7.908) 21.770 1.544 ( 0.880 4.369 5.469) 7.055 1.647 ( 6.962 13.777 8.810) 17.773 1.694 ( -0.603 11.516 -4.258) 12.292 1.955 ( -3.441 -0.287 -3.791) 5.128 2.005 ( -0.077 3.728 -1.809) 4.144 2.026 ( 4.941 3.881 -5.968) 8.665 2.142 ( 0.135 2.344 -8.277) 8.603 2.390 ( 10.294 3.533 -2.208) 11.105 2.431 ( -0.583 1.401 0.435) 1.579 2.462 ( 0.699 1.466 -9.620) 9.756 2.569 ( -5.213 -0.527 -0.640) 5.279 2.611 ( -2.933 -1.679 1.402) 3.659 2.746 ( 4.776 0.143 -6.968) 8.449 2.830 ( 0.167 1.329 -7.016) 7.143 2.875 ( 2.702 -0.845 2.176) 3.571 2.962 ( 3.047 -1.287 -2.679) 4.257 2.997 ( -4.745 3.101 0.085) 5.669 3.087 ( 1.816 0.405 -3.875) 4.299 3.130 ( -4.248 1.074 5.858) 7.315 3.172 ( 4.219 1.946 1.628) 4.923 3.215 ( -1.182 2.583 7.138) 7.682 3.354 ( 8.432 -2.006 -0.002) 8.667 3.384 ( -6.281 -3.437 -1.832) 7.390 3.430 ( -1.671 -0.766 -0.078) 1.840 3.511 ( -1.049 0.348 -0.065) 1.107 3.549 ( -5.426 -5.501 -0.940) 7.784 3.673 ( 3.120 -1.076 1.903) 3.810 3.813 ( 7.127 -0.186 -2.854) 7.680 3.866 ( -3.523 1.972 3.999) 5.682 3.906 ( -3.238 -0.642 -0.141) 3.304 3.964 ( -1.114 -0.114 0.702) 1.321 3.983 ( 1.035 -1.707 0.641) 2.097 4.070 ( -0.708 3.360 -0.582) 3.483 4.192 ( 0.909 -3.155 -4.111) 5.261 4.231 ( -7.267 -0.021 -4.023) 8.306 4.286 ( 0.195 -3.303 -0.341) 3.326 4.361 ( 1.260 0.089 -5.566) 5.707 4.388 ( -0.026 -2.427 -4.491) 5.105 4.454 ( 1.847 -1.893 -5.505) 6.107 4.508 ( 3.624 1.411 -0.716) 3.954 4.585 ( -3.321 -0.412 0.516) 3.386 4.655 ( 3.647 -2.262 -4.826) 6.458 4.728 ( -4.034 0.369 -3.888) 5.615 4.781 ( -0.362 4.038 0.957) 4.165 4.817 ( 4.139 -2.955 2.670) 5.744 4.934 ( 1.954 -0.010 -3.493) 4.002 5.018 ( -2.660 -2.671 -2.693) 4.632 5.039 ( -3.356 0.329 2.268) 4.064 5.060 ( 2.225 0.972 4.937) 5.501 5.144 ( 3.266 -4.421 1.711) 5.757 5.215 ( 2.114 -1.742 -1.317) 3.039 5.310 ( -1.770 -8.349 0.510) 8.549 5.424 ( -2.671 -2.014 2.200) 4.004 5.591 ( 1.258 -3.423 11.056) 11.643 5.633 ( 1.135 0.903 -0.458) 1.521 5.676 ( -1.504 -2.792 3.392) 4.644 5.767 ( -7.205 -2.493 6.593) 10.080 5.841 ( -2.041 3.058 4.854) 6.089 5.894 ( -1.461 -3.343 -0.931) 3.765 5.969 ( 0.279 -1.681 -0.865) 1.911 6.054 ( 3.771 -5.629 1.697) 6.985 6.108 ( 1.077 3.333 -1.866) 3.968 6.201 ( 3.537 -1.988 6.626) 7.769 6.262 ( -3.271 -3.559 1.246) 4.992 6.438 ( -4.228 -2.256 6.652) 8.198 6.610 ( 0.945 6.844 -0.701) 6.945 6.672 ( 0.520 -0.734 -1.328) 1.604 7.243 ( -1.240 -2.247 -15.273) 15.487 8.218 ( -3.166 -0.109 0.267) 3.179 8.308 ( 4.687 -0.583 -0.977) 4.823 8.410 ( 0.684 -0.424 5.674) 5.731 8.907 ( 0.098 -4.005 -4.989) 6.398 9.115 ( 1.372 -1.007 -0.093) 1.704 9.171 ( 1.529 -0.857 3.188) 3.638 9.298 ( -5.602 0.629 -1.262) 5.777 9.343 ( 1.861 -3.421 0.407) 3.915 9.406 ( -3.640 4.149 -2.128) 5.916 9.617 ( 1.758 5.650 6.268) 8.620 9.748 ( -0.934 1.386 -1.328) 2.135 9.841 ( 5.405 -2.204 -1.726) 6.087 9.948 ( -2.765 -5.837 -0.674) 6.494 10.115 ( 1.888 -3.326 -1.461) 4.094 10.192 ( -1.750 0.181 1.036) 2.042 10.277 ( 1.155 -0.599 0.732) 1.493 10.352 ( -0.048 2.398 1.358) 2.756 10.380 ( -3.042 3.024 0.997) 4.404 10.615 ( 0.022 3.851 1.368) 4.087 10.750 ( 4.164 6.356 -3.599) 8.408 19.489 ( -0.466 2.206 3.072) 3.811 19.655 ( 0.041 3.362 -0.894) 3.479 19.816 ( -0.505 -0.853 0.490) 1.106 19.982 ( -3.015 5.923 -1.028) 6.725 20.154 ( -1.149 -1.462 4.199) 4.592 20.309 ( 2.929 1.614 1.541) 3.682 20.496 ( 2.384 -3.883 0.194) 4.561 20.681 ( 10.167 5.554 -10.234) 15.459 21.230 ( -2.682 -2.148 3.392) 4.828 21.418 ( 5.857 -1.375 0.560) 6.042 21.681 ( -11.902 -1.249 -3.163) 12.379 21.725 ( -1.858 -4.947 -1.242) 5.428 21.811 ( -6.992 0.610 -1.441) 7.165 21.873 ( 0.823 -0.770 -1.631) 1.983 22.118 ( -2.051 -1.549 3.418) 4.277 22.304 ( 9.892 -3.444 5.023) 11.617 ======================= Grid point 51 (22/65) ======================= q-point: ( 0.20 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 2.060 12.082 15.013) 19.381 0.937 ( 8.725 23.992 8.666) 26.960 1.234 ( 5.407 12.281 8.412) 15.837 1.435 ( 7.733 3.971 11.885) 14.725 1.614 ( 8.160 1.813 -8.453) 11.888 1.691 ( 1.324 1.195 10.308) 10.461 1.823 ( 0.531 6.390 -6.118) 8.862 1.897 ( 5.262 6.584 6.964) 10.933 1.976 ( -1.975 7.426 -3.015) 8.254 2.070 ( 5.969 5.214 -8.395) 11.545 2.110 ( 3.574 2.297 -6.913) 8.114 2.331 ( -4.951 1.131 -3.737) 6.305 2.378 ( -4.841 0.487 2.403) 5.426 2.487 ( -2.763 -0.368 1.220) 3.043 2.517 ( -1.762 -0.126 -4.474) 4.810 2.622 ( 3.306 -0.067 2.349) 4.056 2.708 ( -7.077 -3.479 -2.986) 8.432 2.780 ( 4.207 2.266 -4.806) 6.778 2.895 ( 1.541 0.352 -4.631) 4.894 2.953 ( 0.732 -0.426 -1.661) 1.864 3.049 ( 6.814 -1.863 -4.080) 8.158 3.098 ( 1.423 0.960 0.864) 1.922 3.115 ( -0.219 1.357 1.758) 2.232 3.217 ( -2.084 4.657 0.947) 5.189 3.272 ( -0.702 0.014 -0.256) 0.748 3.307 ( 4.521 2.354 4.082) 6.530 3.424 ( -0.470 1.437 0.339) 1.549 3.444 ( 2.150 -2.144 -4.862) 5.732 3.478 ( -1.174 3.475 0.405) 3.691 3.529 ( -1.686 -0.490 2.081) 2.723 3.681 ( -5.214 4.703 -2.084) 7.324 3.771 ( -11.264 1.882 -1.994) 11.593 3.784 ( -6.095 0.503 3.570) 7.081 3.858 ( -4.110 -1.880 1.848) 4.883 3.890 ( -0.811 2.260 6.064) 6.522 4.008 ( 0.407 -1.893 0.402) 1.978 4.077 ( 5.332 -3.570 -1.924) 6.699 4.142 ( -0.349 0.143 -5.837) 5.849 4.179 ( 1.442 2.839 -1.698) 3.608 4.220 ( -3.770 -1.948 -4.625) 6.277 4.309 ( 0.811 -2.520 -2.608) 3.716 4.441 ( 2.222 -3.379 -1.366) 4.268 4.467 ( -4.419 -1.861 0.400) 4.811 4.489 ( -0.084 -1.415 1.417) 2.004 4.514 ( -1.599 1.689 -0.406) 2.361 4.630 ( 3.425 -1.924 -5.977) 7.152 4.716 ( 2.365 -3.072 -2.758) 4.758 4.744 ( -1.524 0.771 -2.569) 3.085 4.871 ( -0.350 0.829 -1.507) 1.755 4.938 ( 2.482 0.740 -1.150) 2.834 4.972 ( -1.302 -1.450 -0.832) 2.119 5.053 ( 1.373 -1.971 2.743) 3.646 5.109 ( 0.574 -2.959 2.185) 3.723 5.228 ( -0.092 -4.323 1.986) 4.758 5.258 ( -2.909 -2.655 2.035) 4.433 5.281 ( 2.635 -9.218 0.383) 9.595 5.432 ( 1.769 -0.102 1.736) 2.481 5.571 ( -5.141 0.658 4.125) 6.624 5.618 ( -1.899 -0.145 3.124) 3.658 5.664 ( -3.113 -1.141 -3.302) 4.680 5.834 ( 0.056 -1.080 -0.119) 1.088 5.886 ( 9.366 -4.192 2.617) 10.590 5.909 ( 2.336 -1.938 5.668) 6.430 5.986 ( 1.653 -2.635 1.128) 3.309 6.094 ( -0.715 1.273 -1.433) 2.046 6.142 ( 5.309 -0.624 -0.082) 5.346 6.233 ( -0.381 -3.809 -1.099) 3.983 6.313 ( -2.702 -3.826 10.827) 11.796 6.413 ( 0.101 -2.232 2.667) 3.479 6.591 ( -1.174 6.394 -0.346) 6.511 6.666 ( -0.295 0.972 -0.277) 1.053 7.060 ( -6.210 1.638 -10.049) 11.926 8.198 ( 0.535 0.406 -0.967) 1.177 8.428 ( 3.069 -2.889 2.890) 5.111 8.478 ( 4.887 -1.789 6.591) 8.398 8.830 ( -3.149 -5.542 -7.997) 10.226 9.099 ( -1.680 0.197 -0.789) 1.867 9.217 ( -1.391 1.734 4.233) 4.782 9.259 ( 3.530 -1.751 -1.051) 4.079 9.377 ( 2.057 0.510 -0.502) 2.178 9.425 ( 4.524 -4.598 2.726) 7.003 9.642 ( -2.376 4.591 -4.103) 6.600 9.766 ( 1.843 3.752 6.194) 7.472 9.853 ( -5.943 -3.972 -1.864) 7.387 9.930 ( 3.323 -2.504 1.298) 4.358 10.092 ( 0.421 -1.779 -3.491) 3.940 10.159 ( -2.291 -0.648 0.656) 2.469 10.274 ( -0.390 5.659 -1.057) 5.770 10.340 ( -2.087 2.868 0.766) 3.629 10.387 ( 1.282 3.560 1.582) 4.101 10.602 ( -0.901 1.821 -0.168) 2.039 10.735 ( -2.952 5.907 -4.439) 7.957 19.504 ( -0.614 2.650 3.269) 4.253 19.650 ( 0.191 2.770 -0.915) 2.923 19.744 ( -4.531 4.544 0.759) 6.462 20.007 ( -0.023 -4.211 5.094) 6.609 20.191 ( 5.886 0.627 -2.367) 6.375 20.342 ( -0.164 2.096 2.355) 3.157 20.537 ( 2.056 -2.038 5.756) 6.443 20.670 ( -2.679 0.272 -12.257) 12.549 21.145 ( -9.297 -3.352 -0.762) 9.912 21.436 ( -0.092 2.250 -2.991) 3.744 21.568 ( 0.935 -1.150 6.742) 6.903 21.692 ( -0.667 -2.717 -0.208) 2.805 21.815 ( 3.125 -4.424 0.600) 5.450 21.888 ( 1.698 -0.683 -1.250) 2.216 22.073 ( -4.282 -1.972 2.387) 5.284 22.493 ( 7.566 1.183 -3.981) 8.631 ======================= Grid point 52 (23/65) ======================= q-point: ( 0.40 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 1.524 16.891 8.349) 18.903 1.104 ( -2.417 7.464 2.357) 8.192 1.285 ( -4.867 13.211 4.366) 14.740 1.438 ( 4.541 4.931 0.352) 6.713 1.720 ( -3.126 0.685 -1.258) 3.439 1.749 ( -1.042 3.747 -4.337) 5.825 1.835 ( 8.861 2.945 -5.389) 10.781 1.924 ( 0.609 6.065 -7.809) 9.907 2.046 ( -1.680 -1.776 -8.535) 8.878 2.158 ( 2.507 2.435 -9.479) 10.102 2.194 ( 2.440 -3.575 6.966) 8.201 2.245 ( 2.235 0.696 4.601) 5.162 2.263 ( 2.458 5.252 -0.272) 5.805 2.456 ( -0.418 0.418 1.531) 1.642 2.528 ( 0.422 -1.015 1.373) 1.759 2.597 ( 1.281 3.949 -0.761) 4.220 2.683 ( 2.797 -2.473 2.879) 4.715 2.791 ( -1.948 0.364 -0.625) 2.078 2.833 ( -8.950 3.922 -2.461) 10.076 3.022 ( 6.075 1.649 1.217) 6.411 3.076 ( 1.183 -0.941 1.880) 2.413 3.106 ( 0.073 0.370 -1.491) 1.538 3.189 ( 3.854 0.909 -0.789) 4.037 3.224 ( 0.145 -1.184 -2.833) 3.074 3.231 ( -0.314 4.517 -0.251) 4.534 3.316 ( -4.642 3.599 -3.649) 6.915 3.367 ( -3.949 5.748 -4.929) 8.540 3.420 ( -2.371 3.257 2.880) 4.952 3.484 ( 0.304 2.893 0.366) 2.932 3.500 ( 5.042 2.775 1.375) 5.917 3.578 ( -2.002 -0.348 2.274) 3.049 3.613 ( -0.008 3.644 -7.926) 8.724 3.744 ( -3.439 -0.655 -1.099) 3.669 3.813 ( -4.443 2.037 6.614) 8.224 3.960 ( 0.336 1.379 -2.648) 3.004 4.023 ( 2.867 -1.600 6.578) 7.352 4.035 ( -2.597 -0.745 -2.370) 3.594 4.095 ( -2.884 0.412 2.609) 3.911 4.162 ( -1.277 -1.399 -2.877) 3.445 4.242 ( -0.665 -2.535 3.752) 4.577 4.302 ( 1.772 -1.191 -4.905) 5.350 4.359 ( 3.977 -3.129 -3.732) 6.288 4.461 ( -1.910 1.167 -2.919) 3.679 4.524 ( -1.046 -1.516 11.524) 11.670 4.569 ( 3.137 -5.929 -3.758) 7.689 4.669 ( 5.504 -0.160 -3.407) 6.475 4.718 ( 1.462 -5.785 -5.528) 8.134 4.753 ( 3.357 -1.055 -1.191) 3.715 4.863 ( 1.103 -1.673 -2.230) 2.998 4.941 ( -0.980 -0.743 -0.039) 1.230 4.983 ( 1.264 0.130 -1.401) 1.891 5.072 ( -3.050 -0.604 -2.169) 3.791 5.100 ( -1.337 -4.931 3.761) 6.344 5.200 ( -2.474 -7.356 1.229) 7.858 5.215 ( -2.896 0.960 6.896) 7.540 5.306 ( -0.211 -4.337 2.130) 4.836 5.483 ( 1.896 0.706 -1.099) 2.302 5.544 ( 0.023 -0.389 0.692) 0.794 5.591 ( -2.193 -0.837 2.489) 3.422 5.632 ( 1.158 0.298 1.868) 2.217 5.847 ( 0.918 -4.126 -1.567) 4.508 5.962 ( 2.087 -2.852 1.653) 3.901 5.995 ( 0.239 -6.629 -2.125) 6.965 6.022 ( 0.798 -0.995 0.574) 1.398 6.078 ( 1.330 1.292 -0.957) 2.087 6.184 ( -4.031 -5.479 -1.776) 7.030 6.263 ( -4.247 -0.512 5.630) 7.071 6.310 ( 4.445 -3.328 3.887) 6.779 6.435 ( -1.455 -2.276 3.640) 4.532 6.612 ( 2.230 5.928 -1.674) 6.551 6.667 ( 1.324 1.425 0.565) 2.025 6.904 ( -2.656 5.418 -3.620) 7.037 8.212 ( 1.295 0.390 0.114) 1.358 8.443 ( -3.790 -3.367 6.788) 8.472 8.607 ( -2.522 -3.058 -4.002) 5.633 8.745 ( 5.739 -7.932 -1.275) 9.873 9.088 ( 0.910 1.190 -0.584) 1.607 9.179 ( -3.028 -0.796 1.251) 3.372 9.384 ( 7.591 2.184 -0.371) 7.908 9.427 ( 1.063 0.357 -0.637) 1.290 9.496 ( -2.348 4.815 -4.344) 6.897 9.536 ( -0.101 -8.585 5.358) 10.120 9.726 ( -4.688 -4.786 -3.223) 7.434 9.847 ( 0.483 4.448 5.670) 7.223 9.978 ( 0.544 -6.236 0.071) 6.260 10.069 ( -1.030 3.540 0.942) 3.805 10.168 ( 3.000 3.843 -1.499) 5.101 10.247 ( -1.337 7.803 -2.697) 8.364 10.321 ( 0.470 0.687 -0.839) 1.182 10.422 ( 1.195 5.065 1.784) 5.501 10.567 ( -2.022 1.370 -2.953) 3.832 10.636 ( -2.240 4.744 -2.424) 5.779 19.508 ( -1.335 2.896 2.494) 4.048 19.648 ( 0.477 2.497 -1.450) 2.927 19.698 ( -1.442 3.895 1.710) 4.491 19.990 ( -3.592 -3.708 0.928) 5.245 20.263 ( 2.213 -2.769 -5.629) 6.652 20.363 ( 0.753 -0.617 0.486) 1.088 20.508 ( -4.769 3.190 -3.983) 6.985 20.702 ( 8.336 0.388 9.486) 12.634 20.942 ( -7.923 -2.226 -4.054) 9.174 21.421 ( 0.045 4.797 -3.962) 6.222 21.643 ( 0.879 -2.203 7.399) 7.770 21.694 ( 0.186 -1.041 1.166) 1.574 21.869 ( 0.994 -6.775 -2.389) 7.253 21.943 ( 4.523 -2.864 3.154) 6.214 22.005 ( -4.143 -2.467 1.872) 5.172 22.553 ( 3.131 2.305 -5.426) 6.675 ======================= Grid point 53 (24/65) ======================= q-point: (-0.40 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -18.419 6.318 -8.494) 21.244 0.950 ( -12.073 16.546 5.469) 21.200 1.269 ( 0.926 18.557 5.173) 19.287 1.534 ( -12.572 2.323 4.916) 13.697 1.620 ( -2.300 0.822 5.327) 5.860 1.704 ( 1.977 7.393 -2.717) 8.121 1.810 ( -8.473 3.906 -2.566) 9.677 1.901 ( 6.299 4.792 -8.005) 11.257 2.052 ( -4.914 12.911 -9.146) 16.568 2.064 ( 9.943 -0.277 -5.536) 11.383 2.140 ( -1.375 5.469 -12.386) 13.610 2.223 ( -0.266 6.680 -0.474) 6.702 2.374 ( -1.053 2.880 -2.175) 3.759 2.478 ( 0.098 -0.186 4.220) 4.226 2.534 ( 4.063 1.039 5.166) 6.654 2.577 ( -3.950 -0.039 2.587) 4.722 2.756 ( 1.094 -1.193 2.264) 2.783 2.772 ( 1.370 -0.375 0.976) 1.723 2.909 ( 5.957 -5.168 1.685) 8.064 2.938 ( -3.079 0.381 -13.252) 13.610 3.048 ( 0.540 -2.489 2.274) 3.414 3.107 ( -4.315 1.979 0.686) 4.796 3.182 ( 1.213 -0.473 -3.390) 3.631 3.197 ( -4.691 3.915 0.230) 6.114 3.267 ( 0.754 -1.375 -0.783) 1.753 3.325 ( 0.261 3.422 0.623) 3.488 3.367 ( -0.060 0.097 -0.963) 0.969 3.424 ( 0.885 3.614 -3.149) 4.875 3.479 ( 9.225 5.538 5.208) 11.954 3.546 ( -0.766 -0.872 -3.965) 4.131 3.619 ( 0.951 1.185 2.263) 2.726 3.656 ( 8.429 3.429 2.591) 9.461 3.738 ( 6.490 4.555 1.085) 8.003 3.799 ( 0.403 -0.378 4.448) 4.483 3.944 ( -0.911 0.011 0.420) 1.004 3.979 ( -5.452 -0.249 1.631) 5.697 4.052 ( -3.554 -4.944 -0.975) 6.166 4.108 ( 5.788 -0.867 -5.293) 7.891 4.135 ( 0.810 -1.122 3.002) 3.305 4.282 ( 0.084 -0.513 1.894) 1.964 4.294 ( 1.320 -0.752 -1.527) 2.154 4.431 ( 2.933 -2.205 0.697) 3.735 4.458 ( 6.045 -4.446 -6.369) 9.842 4.551 ( -0.945 -4.300 -3.790) 5.809 4.571 ( -1.902 -1.828 4.682) 5.374 4.699 ( 1.939 -2.129 -7.015) 7.583 4.726 ( 0.332 -0.274 -0.191) 0.471 4.789 ( 0.520 -0.969 -1.955) 2.243 4.867 ( -2.812 -1.549 -5.984) 6.791 4.893 ( 1.946 -1.219 -2.814) 3.632 4.945 ( 0.040 0.115 2.917) 2.920 5.063 ( 0.525 -2.228 2.015) 3.050 5.108 ( -1.647 -2.089 4.392) 5.135 5.163 ( -2.629 -4.672 3.002) 6.145 5.240 ( -0.739 -1.955 5.618) 5.994 5.325 ( 0.672 -3.620 -0.209) 3.688 5.473 ( -1.172 -0.211 -1.136) 1.645 5.570 ( 1.033 0.468 1.429) 1.824 5.603 ( 0.936 -3.600 4.320) 5.701 5.686 ( -0.015 0.148 3.070) 3.073 5.831 ( -0.422 -5.214 -0.588) 5.263 5.953 ( -1.595 -5.904 0.285) 6.122 6.001 ( -4.552 -2.436 -1.168) 5.293 6.014 ( 0.269 -6.543 -1.488) 6.716 6.084 ( -0.620 -0.121 -0.628) 0.891 6.100 ( 1.098 1.981 -1.016) 2.482 6.160 ( -10.002 -2.980 4.783) 11.481 6.372 ( -0.063 -3.874 1.589) 4.188 6.436 ( -2.034 3.324 4.939) 6.291 6.594 ( -0.828 5.863 -2.024) 6.257 6.679 ( -1.203 0.747 -0.035) 1.417 7.000 ( 12.586 3.189 -1.194) 13.038 8.251 ( 1.815 0.031 1.963) 2.674 8.395 ( -5.178 -3.498 3.201) 7.021 8.450 ( -6.490 -2.255 -2.779) 7.411 8.882 ( 5.341 -8.286 -1.208) 9.932 9.086 ( -1.910 0.936 1.635) 2.683 9.147 ( -0.962 -0.390 -1.527) 1.847 9.329 ( -0.615 6.271 -4.906) 7.986 9.463 ( -1.293 -2.580 3.764) 4.743 9.550 ( -3.400 -4.896 1.487) 6.143 9.574 ( 5.063 2.043 -0.476) 5.480 9.667 ( 2.231 -3.276 0.927) 4.071 9.834 ( -3.925 2.977 1.563) 5.168 9.977 ( 0.503 -3.678 0.117) 3.715 10.094 ( 0.943 0.888 -1.063) 1.676 10.172 ( 0.474 2.819 -6.482) 7.084 10.209 ( -0.616 6.900 2.491) 7.361 10.334 ( 0.467 -0.058 1.206) 1.295 10.437 ( -0.931 5.072 2.780) 5.858 10.549 ( 1.897 0.467 -4.065) 4.509 10.633 ( 4.378 5.886 -3.095) 7.962 19.495 ( -1.564 2.538 1.837) 3.502 19.650 ( 1.180 3.572 -1.859) 4.196 19.719 ( 1.741 4.285 4.588) 6.515 19.901 ( -4.131 -2.343 -3.077) 5.659 20.230 ( -1.442 -4.012 -2.843) 5.124 20.310 ( -2.820 -1.116 -4.649) 5.551 20.450 ( -3.073 5.219 3.499) 6.994 20.808 ( -2.539 3.588 -4.292) 6.144 20.970 ( 10.820 0.308 7.083) 12.936 21.376 ( -0.533 1.447 -5.998) 6.193 21.707 ( 0.585 -0.061 3.843) 3.887 21.717 ( 0.685 -0.320 4.976) 5.033 21.848 ( -1.290 -8.045 0.995) 8.208 21.939 ( -2.505 -0.231 -0.521) 2.569 22.065 ( 2.845 -5.409 5.944) 8.525 22.529 ( -1.022 -2.015 -7.864) 8.183 ======================= Grid point 54 (25/65) ======================= q-point: (-0.20 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( -9.159 16.955 6.634) 20.381 0.713 ( -15.004 14.617 10.337) 23.359 1.279 ( -22.847 18.592 9.292) 30.887 1.383 ( 1.486 26.979 6.039) 27.686 1.450 ( -3.183 4.766 6.422) 8.607 1.596 ( -9.624 10.746 4.012) 14.973 1.824 ( -4.132 12.710 -8.320) 15.743 1.879 ( 5.662 2.731 1.605) 6.488 2.003 ( 3.017 7.740 -3.785) 9.129 2.076 ( 3.939 -0.065 -11.888) 12.523 2.165 ( 5.354 1.745 -9.805) 11.307 2.229 ( 3.676 4.041 -3.640) 6.564 2.440 ( 3.202 -0.279 0.531) 3.258 2.499 ( -2.024 2.072 -3.294) 4.386 2.546 ( 4.598 -0.152 6.096) 7.638 2.633 ( 0.511 1.113 2.136) 2.462 2.730 ( 1.569 -0.599 -7.472) 7.658 2.826 ( 3.328 -1.802 -8.896) 9.667 2.873 ( -2.236 -0.129 4.650) 5.162 2.915 ( 2.647 2.030 6.165) 7.009 3.011 ( -1.947 0.554 -2.978) 3.601 3.115 ( -2.957 1.672 -4.258) 5.447 3.141 ( -0.162 -1.442 -1.793) 2.306 3.162 ( -2.750 -0.419 3.147) 4.201 3.227 ( 2.698 -3.895 0.238) 4.744 3.289 ( -5.730 2.714 3.853) 7.419 3.409 ( 5.172 0.940 -6.735) 8.544 3.487 ( 2.596 4.835 -2.364) 5.975 3.534 ( -3.752 -4.121 3.216) 6.435 3.547 ( 3.007 -2.244 5.057) 6.297 3.684 ( 4.942 0.628 -2.320) 5.495 3.730 ( -4.381 -0.480 -0.731) 4.467 3.849 ( 1.912 -1.306 2.526) 3.427 3.925 ( 3.745 3.362 -1.967) 5.403 3.937 ( -2.494 -2.254 6.565) 7.375 3.959 ( -0.202 -1.795 1.412) 2.292 4.027 ( 7.108 1.321 1.306) 7.346 4.192 ( 0.940 -6.910 4.949) 8.552 4.218 ( 7.147 -0.450 0.735) 7.199 4.259 ( 3.462 0.429 -7.342) 8.128 4.334 ( 6.207 1.239 -9.811) 11.675 4.438 ( -4.770 -3.589 -2.215) 6.367 4.488 ( -1.215 0.034 -3.586) 3.786 4.499 ( 1.619 -4.132 -2.248) 4.975 4.596 ( 3.113 -3.361 2.254) 5.106 4.668 ( 0.182 1.331 -4.490) 4.686 4.719 ( -1.393 0.928 -4.120) 4.447 4.748 ( 1.038 1.495 0.031) 1.820 4.827 ( 0.121 0.715 -0.356) 0.808 4.936 ( 1.328 -1.837 -2.499) 3.375 4.976 ( 0.918 1.836 2.452) 3.198 5.056 ( 0.505 -7.274 -0.276) 7.297 5.107 ( -1.835 -2.076 1.619) 3.209 5.127 ( -4.673 0.404 3.803) 6.038 5.241 ( -2.152 0.226 0.997) 2.382 5.325 ( 0.497 -9.121 -2.133) 9.380 5.447 ( -1.509 -0.700 2.088) 2.670 5.595 ( -1.421 0.891 0.924) 1.915 5.625 ( -4.136 -3.622 0.899) 5.571 5.661 ( -0.394 -3.734 6.636) 7.625 5.838 ( -4.813 -5.991 8.436) 11.411 5.888 ( 0.480 -1.328 -0.733) 1.591 5.939 ( -2.624 -8.797 0.184) 9.182 5.959 ( -9.240 -0.080 4.312) 10.197 6.044 ( -1.157 -2.518 -0.250) 2.783 6.102 ( 2.227 2.292 -0.321) 3.212 6.112 ( 1.737 0.364 -1.106) 2.091 6.345 ( -4.738 -3.978 1.902) 6.472 6.443 ( -2.120 3.928 7.245) 8.510 6.579 ( 1.157 6.041 -0.620) 6.182 6.667 ( 0.811 -0.823 -1.688) 2.045 7.227 ( 12.348 -1.211 -8.421) 14.995 8.272 ( -1.873 -2.559 1.583) 3.544 8.332 ( -5.075 -1.638 0.353) 5.344 8.358 ( -0.232 -0.399 3.104) 3.138 8.919 ( 1.664 -5.159 -3.866) 6.658 9.083 ( 0.671 -0.459 1.665) 1.853 9.126 ( 0.941 -0.669 -0.323) 1.199 9.321 ( 0.924 1.270 -2.585) 3.025 9.439 ( -4.860 -0.047 -2.492) 5.462 9.480 ( -2.968 2.649 4.375) 5.914 9.576 ( -2.858 0.810 4.658) 5.525 9.772 ( 3.766 2.695 -2.221) 5.136 9.783 ( 0.294 -2.080 -2.881) 3.566 9.982 ( -0.844 -5.255 0.280) 5.329 10.054 ( 1.855 0.676 -3.347) 3.885 10.195 ( 1.565 -3.825 0.063) 4.133 10.231 ( 1.102 4.096 2.269) 4.810 10.352 ( -0.726 1.785 3.419) 3.924 10.437 ( -2.124 3.945 1.313) 4.669 10.556 ( 3.000 1.980 -1.166) 3.778 10.705 ( 4.554 6.723 -4.777) 9.421 19.483 ( -1.074 2.166 2.151) 3.235 19.658 ( 0.682 4.064 -1.379) 4.345 19.808 ( 0.293 -2.061 -1.573) 2.609 19.904 ( 9.495 4.538 8.880) 13.769 20.161 ( -2.771 0.362 -3.808) 4.724 20.254 ( -0.740 0.701 -0.140) 1.029 20.424 ( -1.499 5.029 4.380) 6.836 20.717 ( -1.847 7.921 -10.647) 13.399 21.189 ( 5.382 2.645 6.835) 9.093 21.336 ( 1.613 -4.542 -4.277) 6.444 21.732 ( 0.238 -2.148 1.224) 2.484 21.752 ( -0.073 -1.730 -0.083) 1.733 21.873 ( 0.140 -3.249 2.036) 3.836 21.928 ( 2.394 0.471 4.833) 5.414 22.116 ( -1.493 -3.240 2.733) 4.494 22.356 ( -11.127 -9.692 -7.843) 16.711 ======================= Grid point 55 (26/65) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 1.691 10.264 16.904) 19.848 0.940 ( 1.489 14.823 10.797) 18.398 1.493 ( -0.139 17.681 -1.307) 17.730 1.528 ( -5.389 6.071 2.282) 8.433 1.625 ( -2.579 2.406 1.067) 3.685 1.909 ( -3.969 1.454 -4.735) 6.347 1.954 ( -1.487 13.513 -4.074) 14.192 1.981 ( 6.903 7.286 2.872) 10.440 2.096 ( -1.444 11.974 -2.577) 12.333 2.191 ( 0.115 2.908 -4.768) 5.586 2.220 ( 0.835 13.370 -1.641) 13.496 2.400 ( -3.356 -0.856 -1.377) 3.727 2.436 ( -5.454 -0.411 0.550) 5.497 2.563 ( 7.706 6.534 -7.767) 12.744 2.588 ( 1.305 2.582 -2.999) 4.167 2.639 ( 0.390 4.563 -1.758) 4.905 2.750 ( 9.231 -2.293 1.421) 9.617 2.803 ( 0.522 0.566 -2.468) 2.586 2.892 ( -1.760 -0.642 -3.872) 4.302 2.952 ( 2.174 3.001 -1.915) 4.172 3.055 ( -4.736 1.949 1.947) 5.479 3.092 ( -2.109 0.209 -6.257) 6.607 3.134 ( 1.473 -1.899 2.693) 3.610 3.212 ( 3.192 -2.197 4.782) 6.156 3.254 ( -1.113 -0.454 0.769) 1.427 3.313 ( -0.802 2.889 4.076) 5.060 3.348 ( 1.311 3.260 0.882) 3.623 3.415 ( 0.464 -2.153 -4.570) 5.073 3.477 ( 0.351 1.166 4.915) 5.063 3.534 ( -2.838 1.124 4.669) 5.578 3.611 ( 3.340 -4.095 1.186) 5.416 3.818 ( 0.776 -1.149 4.630) 4.833 3.864 ( 0.045 -4.030 -0.913) 4.133 3.921 ( 4.047 -0.266 -0.642) 4.107 3.927 ( -1.659 0.675 0.729) 1.933 3.979 ( -1.387 1.527 -2.543) 3.275 4.055 ( -4.879 -4.517 3.234) 7.393 4.161 ( 0.763 -0.021 -3.385) 3.470 4.175 ( -4.438 -4.295 -2.729) 6.752 4.251 ( 5.674 -2.498 -3.251) 7.001 4.361 ( -0.597 -4.569 -3.458) 5.761 4.389 ( -0.702 1.416 -8.384) 8.532 4.403 ( 4.122 2.231 -2.523) 5.323 4.520 ( -3.999 -1.574 -1.817) 4.666 4.563 ( 2.470 -0.488 2.969) 3.893 4.626 ( 0.814 -2.856 -7.695) 8.248 4.680 ( 2.391 -1.548 -0.919) 2.993 4.795 ( -0.678 -0.401 -0.982) 1.259 4.836 ( -0.544 -1.840 -1.066) 2.195 4.900 ( 1.064 0.107 0.101) 1.074 4.968 ( -1.156 -0.807 0.776) 1.610 5.029 ( 1.961 -4.712 0.906) 5.184 5.056 ( -1.201 0.829 0.444) 1.525 5.115 ( -1.283 1.641 2.977) 3.633 5.171 ( -2.687 3.012 -2.783) 4.903 5.274 ( 2.643 1.609 1.558) 3.464 5.403 ( -2.267 -0.162 2.645) 3.487 5.527 ( 2.695 -3.294 10.377) 11.216 5.610 ( -0.089 -2.526 -0.417) 2.562 5.673 ( -0.434 1.211 2.091) 2.456 5.749 ( -5.616 0.445 5.221) 7.682 5.812 ( 1.443 -3.509 0.536) 3.832 5.873 ( -1.254 -1.423 3.449) 3.936 5.919 ( -0.597 -3.580 -2.177) 4.232 5.981 ( 5.269 -1.933 2.220) 6.035 6.077 ( -1.245 -5.781 1.116) 6.018 6.200 ( 0.915 0.676 2.386) 2.644 6.287 ( -3.500 3.806 -0.007) 5.170 6.410 ( -3.665 -0.114 5.177) 6.344 6.628 ( 0.329 -3.686 -0.817) 3.790 6.708 ( 0.327 2.497 -1.180) 2.781 7.022 ( 0.676 -18.408 -7.870) 20.032 8.225 ( -1.570 0.614 -0.540) 1.770 8.292 ( 3.725 -0.982 -0.017) 3.852 8.406 ( -0.044 0.156 2.293) 2.298 8.778 ( -0.368 -8.732 -4.209) 9.700 9.106 ( 0.858 0.136 -1.722) 1.929 9.197 ( 2.086 2.171 4.734) 5.610 9.283 ( -3.189 -1.141 -1.315) 3.633 9.305 ( -3.666 -0.366 -1.761) 4.084 9.453 ( -4.114 -0.794 -5.986) 7.307 9.682 ( 4.086 -3.211 -4.252) 6.714 9.729 ( 3.819 1.641 4.445) 6.085 9.815 ( 0.036 -1.624 3.261) 3.644 9.885 ( -1.189 1.421 1.786) 2.573 10.052 ( 2.475 -1.688 -0.678) 3.072 10.210 ( -0.342 2.631 0.460) 2.693 10.353 ( 2.932 5.896 1.098) 6.676 10.406 ( -1.175 2.333 2.508) 3.621 10.466 ( -3.248 5.326 2.561) 6.743 10.667 ( 0.438 1.649 2.483) 3.013 10.809 ( 1.241 0.086 -2.606) 2.888 19.547 ( -0.130 3.721 3.531) 5.131 19.710 ( 0.094 1.381 2.028) 2.455 19.835 ( 1.291 4.180 -1.365) 4.583 20.085 ( -2.491 4.415 -2.007) 5.452 20.152 ( -1.150 0.926 3.589) 3.881 20.348 ( 6.015 2.196 0.062) 6.403 20.456 ( -0.761 -0.117 1.528) 1.711 20.740 ( 0.935 1.534 -11.004) 11.149 21.136 ( -3.118 -8.743 -2.211) 9.543 21.378 ( -1.548 -4.918 -1.824) 5.469 21.576 ( 0.189 -2.571 1.398) 2.932 21.717 ( -3.474 1.018 -3.203) 4.833 21.831 ( -5.674 -0.119 -0.809) 5.733 21.868 ( 0.159 0.320 -2.835) 2.858 22.095 ( -1.580 -0.345 5.951) 6.167 22.256 ( 10.916 -2.042 6.846) 13.046 ======================= Grid point 56 (27/65) ======================= q-point: ( 0.20 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -0.689 8.545 10.931) 13.892 1.245 ( 9.089 5.185 14.431) 17.826 1.456 ( 4.565 6.683 1.514) 8.234 1.535 ( 2.055 5.277 -2.921) 6.372 1.673 ( 2.816 -0.118 3.719) 4.666 1.804 ( -3.237 13.650 4.407) 14.705 1.932 ( -6.558 2.067 -8.720) 11.105 1.948 ( 3.017 6.026 -4.150) 7.914 2.148 ( 1.540 6.795 -9.634) 11.889 2.180 ( 5.263 2.526 -1.132) 5.946 2.224 ( -0.631 11.690 0.974) 11.748 2.328 ( -5.952 -1.618 1.139) 6.273 2.349 ( -0.010 2.439 0.915) 2.605 2.495 ( -8.811 -2.478 -6.289) 11.105 2.575 ( -0.944 4.733 -1.346) 5.011 2.652 ( 3.064 6.440 -1.793) 7.354 2.749 ( -0.552 5.395 -1.936) 5.758 2.849 ( 1.959 2.223 -2.540) 3.903 2.930 ( 5.677 0.991 -1.455) 5.944 2.960 ( 1.819 3.560 -5.611) 6.890 3.028 ( 5.653 -0.054 0.188) 5.657 3.105 ( -7.648 -1.159 2.103) 8.016 3.161 ( 7.196 4.096 -1.077) 8.350 3.177 ( 0.184 -5.401 -0.025) 5.404 3.280 ( -3.758 -0.673 4.670) 6.032 3.376 ( 4.432 2.979 3.576) 6.427 3.422 ( 3.356 0.790 -1.759) 3.871 3.443 ( 1.557 0.921 0.255) 1.827 3.537 ( -0.847 0.943 1.917) 2.298 3.551 ( 0.838 4.335 3.585) 5.688 3.688 ( 2.561 -3.048 4.677) 6.142 3.752 ( -5.004 -3.227 1.448) 6.128 3.822 ( -5.805 -0.875 -1.152) 5.982 3.883 ( -2.660 4.176 0.760) 5.009 3.934 ( -4.420 -5.392 -2.088) 7.278 3.946 ( -4.086 3.121 3.212) 6.063 4.029 ( 3.853 0.082 0.600) 3.900 4.085 ( 2.224 -3.965 -1.876) 4.918 4.172 ( 0.577 -1.579 1.872) 2.516 4.214 ( -5.910 -0.273 -4.040) 7.164 4.344 ( 1.905 1.492 -5.726) 6.216 4.390 ( 3.938 1.704 -4.175) 5.987 4.426 ( -0.328 -1.024 -2.446) 2.671 4.478 ( 0.254 -1.418 1.060) 1.788 4.563 ( 0.470 -2.431 -0.543) 2.534 4.592 ( 0.828 2.894 -6.917) 7.544 4.656 ( -2.967 -0.417 -3.736) 4.789 4.739 ( -1.367 -1.826 -3.188) 3.920 4.792 ( -2.709 -7.980 -2.617) 8.824 4.934 ( -0.359 -0.109 -0.795) 0.879 4.979 ( 2.149 2.215 2.017) 3.687 5.027 ( -2.755 2.296 1.228) 3.791 5.068 ( 1.845 -4.083 -0.376) 4.496 5.116 ( -0.039 -1.666 3.282) 3.681 5.162 ( 1.521 -1.944 1.492) 2.885 5.301 ( 0.055 1.849 1.743) 2.541 5.427 ( 1.172 0.982 0.459) 1.596 5.588 ( -3.453 0.924 6.684) 7.580 5.628 ( -2.818 0.416 2.849) 4.029 5.637 ( -1.394 -1.914 -1.158) 2.636 5.760 ( 2.040 -5.513 0.189) 5.882 5.786 ( 0.249 -3.334 1.708) 3.754 5.899 ( -0.436 -3.547 4.122) 5.455 5.942 ( 4.494 -0.770 0.651) 4.606 6.061 ( 0.645 -4.170 0.094) 4.221 6.129 ( 3.657 -2.742 2.013) 4.995 6.178 ( -2.581 -0.237 1.545) 3.017 6.279 ( 0.033 -1.826 1.791) 2.558 6.414 ( 0.358 1.653 3.093) 3.526 6.614 ( -1.072 -3.090 -0.235) 3.279 6.678 ( -1.093 -0.866 -1.197) 1.838 6.965 ( -0.929 -10.516 -6.108) 12.197 8.211 ( 0.536 1.030 -0.690) 1.351 8.378 ( 3.543 -2.324 -0.343) 4.251 8.427 ( 0.847 -2.947 6.017) 6.753 8.692 ( -4.262 -8.376 -6.165) 11.239 9.099 ( -0.722 0.028 -0.758) 1.047 9.185 ( -1.525 -3.092 -0.313) 3.462 9.295 ( 2.936 1.262 4.991) 5.926 9.331 ( 2.784 -1.650 0.677) 3.306 9.364 ( -0.203 -2.990 -3.582) 4.670 9.677 ( 1.095 -1.224 -7.709) 7.882 9.785 ( -4.484 -1.632 1.382) 4.967 9.829 ( 0.616 -0.408 4.571) 4.630 9.926 ( 2.437 5.613 1.900) 6.407 10.096 ( 4.134 2.193 -1.109) 4.809 10.202 ( 0.041 3.913 -0.204) 3.919 10.395 ( -1.247 3.295 0.152) 3.526 10.408 ( 0.560 6.169 0.393) 6.207 10.469 ( 1.868 5.033 2.512) 5.927 10.634 ( -3.905 1.046 0.794) 4.119 10.789 ( -2.353 0.037 -1.430) 2.754 19.574 ( -0.347 4.467 3.987) 5.998 19.724 ( 0.125 4.154 -0.125) 4.157 19.826 ( -2.168 3.785 -0.511) 4.392 19.970 ( -5.186 1.381 2.095) 5.761 20.190 ( 3.275 -0.974 -0.695) 3.487 20.411 ( -0.936 5.396 -0.815) 5.537 20.505 ( 3.329 -2.823 5.900) 7.339 20.648 ( -0.857 -0.859 -10.304) 10.375 21.052 ( -7.431 -6.335 -0.965) 9.812 21.320 ( 3.684 -13.303 -2.512) 14.030 21.604 ( -2.097 3.839 1.239) 4.546 21.651 ( 0.802 -0.239 -0.145) 0.849 21.785 ( -0.932 0.126 0.989) 1.364 21.874 ( 0.858 -0.919 -1.111) 1.677 22.082 ( -3.079 2.800 3.940) 5.731 22.478 ( 8.040 -2.609 -0.517) 8.469 ======================= Grid point 57 (28/65) ======================= q-point: ( 0.40 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 1.212 3.902 5.259) 6.659 1.314 ( -3.268 5.615 0.517) 6.517 1.543 ( -1.815 9.294 5.635) 11.019 1.626 ( 0.196 8.679 6.035) 10.573 1.754 ( -1.459 7.955 2.745) 8.540 1.760 ( -0.422 -2.922 -8.037) 8.562 1.881 ( 11.007 0.859 -5.830) 12.485 2.003 ( -10.026 -0.530 -1.011) 10.090 2.055 ( 3.347 4.039 1.014) 5.343 2.138 ( 6.505 5.422 1.850) 8.668 2.241 ( 0.275 3.038 -3.576) 4.700 2.288 ( 1.607 1.437 -1.272) 2.503 2.384 ( 1.514 2.580 5.490) 6.253 2.427 ( 3.399 6.880 -2.195) 7.981 2.552 ( -0.937 3.945 -3.340) 5.253 2.685 ( 1.056 4.820 -3.144) 5.851 2.744 ( 1.712 4.840 -1.849) 5.457 2.855 ( -1.474 4.110 0.315) 4.378 2.902 ( -4.703 1.899 -0.632) 5.111 3.028 ( 0.153 0.835 1.278) 1.535 3.035 ( 2.009 -3.656 -3.451) 5.415 3.111 ( 1.423 -0.769 -1.920) 2.511 3.185 ( 1.523 0.596 0.904) 1.869 3.240 ( -1.043 -2.189 1.036) 2.637 3.300 ( 6.121 4.830 -0.161) 7.798 3.373 ( -5.744 1.200 -0.266) 5.874 3.406 ( -3.645 -0.779 -1.164) 3.904 3.461 ( 1.465 3.192 0.295) 3.524 3.539 ( -1.240 2.302 -1.776) 3.161 3.557 ( 3.834 0.665 2.308) 4.524 3.607 ( -5.360 3.181 -1.861) 6.505 3.712 ( -2.114 -0.288 2.931) 3.625 3.785 ( -3.524 7.446 0.322) 8.244 3.824 ( -1.635 -1.344 6.702) 7.028 3.955 ( -0.977 -1.959 -1.055) 2.430 3.971 ( 3.832 -3.036 2.848) 5.658 4.045 ( 1.008 -0.338 -3.623) 3.776 4.081 ( -0.391 0.932 -2.049) 2.285 4.112 ( -2.528 0.808 -1.470) 3.034 4.218 ( 0.956 -1.482 3.948) 4.324 4.308 ( 1.917 -0.244 -4.864) 5.234 4.345 ( -4.516 3.620 -2.296) 6.226 4.455 ( 0.747 -1.991 -1.912) 2.860 4.470 ( 0.644 -3.410 -6.489) 7.359 4.539 ( -0.403 3.874 1.473) 4.164 4.588 ( 1.822 -5.467 -3.060) 6.524 4.656 ( 6.560 -1.764 -2.381) 7.198 4.741 ( 0.987 -3.627 -0.974) 3.883 4.753 ( 2.949 -6.140 -3.929) 7.864 4.907 ( -0.763 -0.749 -1.355) 1.726 4.981 ( -0.589 1.836 -0.000) 1.928 5.042 ( -1.315 -1.595 1.696) 2.674 5.081 ( -0.631 0.667 -0.439) 1.018 5.101 ( -1.742 -0.787 1.719) 2.571 5.212 ( 1.596 -2.245 1.754) 3.266 5.264 ( -3.786 0.947 1.474) 4.172 5.476 ( 3.904 -1.623 -0.290) 4.238 5.551 ( -3.804 0.989 3.860) 5.509 5.593 ( -3.335 0.557 0.523) 3.422 5.636 ( 1.806 0.021 2.764) 3.302 5.742 ( -0.454 -5.218 0.997) 5.332 5.820 ( -0.789 -7.984 1.979) 8.264 5.930 ( -0.301 -2.618 2.654) 3.740 6.012 ( 0.575 -1.058 0.583) 1.338 6.066 ( -4.315 -6.853 0.642) 8.124 6.116 ( 3.178 2.233 -1.080) 4.032 6.249 ( -4.013 -2.771 1.802) 5.199 6.277 ( 6.394 -1.984 2.067) 7.006 6.422 ( -1.467 0.678 2.842) 3.269 6.629 ( 2.003 -3.375 0.815) 4.008 6.659 ( -0.377 -2.009 -1.213) 2.377 6.910 ( -0.591 -5.006 -2.737) 5.736 8.227 ( 1.299 1.368 0.159) 1.893 8.383 ( -2.791 -2.662 3.437) 5.166 8.520 ( -2.570 -5.604 -2.512) 6.657 8.581 ( 3.969 -8.658 -0.986) 9.576 9.103 ( 1.084 0.568 0.812) 1.469 9.157 ( -2.092 -1.476 0.646) 2.640 9.341 ( 2.084 -5.559 1.219) 6.060 9.399 ( 2.145 -5.149 4.372) 7.088 9.447 ( 6.783 1.708 0.133) 6.996 9.623 ( -8.177 5.194 -3.505) 10.302 9.642 ( -0.377 -1.965 -5.915) 6.245 9.871 ( 0.152 -2.367 3.017) 3.838 9.961 ( -0.040 5.434 0.716) 5.481 10.166 ( 0.658 5.378 0.212) 5.422 10.232 ( 5.049 2.559 -2.624) 6.239 10.358 ( -2.550 3.859 1.741) 4.943 10.389 ( -0.713 5.176 -5.691) 7.726 10.523 ( 0.793 5.846 3.550) 6.885 10.568 ( -2.346 -0.955 -1.325) 2.858 10.724 ( -2.473 3.860 0.397) 4.601 19.580 ( -1.715 4.471 2.663) 5.480 19.719 ( 0.673 4.816 -1.714) 5.156 19.785 ( -1.261 4.859 1.341) 5.196 19.922 ( -3.009 -2.452 1.777) 4.269 20.214 ( 0.580 -3.315 -6.020) 6.897 20.339 ( -2.514 -1.934 -3.659) 4.842 20.543 ( 0.132 0.530 -2.406) 2.467 20.729 ( 7.622 2.981 11.717) 14.292 20.889 ( -5.619 -3.210 -4.076) 7.648 21.449 ( 5.005 -12.260 7.946) 15.443 21.547 ( -2.267 2.534 -3.096) 4.598 21.678 ( 0.804 -0.125 0.948) 1.250 21.775 ( -0.866 -1.113 -0.372) 1.459 21.898 ( 1.962 -1.965 1.792) 3.305 22.038 ( -2.920 4.241 -0.285) 5.157 22.545 ( 1.597 -3.090 -5.351) 6.382 ======================= Grid point 58 (29/65) ======================= q-point: (-0.40 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( -10.311 12.074 -2.336) 16.048 1.214 ( -11.145 11.062 0.280) 15.705 1.463 ( -6.297 0.277 12.344) 13.861 1.646 ( -3.703 3.355 5.158) 7.182 1.731 ( 3.922 11.886 0.715) 12.537 1.832 ( 5.224 8.206 -2.185) 9.970 1.894 ( 1.509 2.969 -4.687) 5.750 2.046 ( 8.541 -1.109 -2.822) 9.063 2.075 ( 2.160 16.273 -3.422) 16.769 2.214 ( -1.429 3.122 2.108) 4.029 2.241 ( 2.463 1.902 -1.443) 3.431 2.397 ( -3.753 5.312 0.456) 6.520 2.445 ( 3.099 2.294 -0.483) 3.886 2.466 ( 2.936 8.038 -6.522) 10.759 2.563 ( 4.013 4.586 2.516) 6.593 2.641 ( -2.668 2.401 0.450) 3.617 2.755 ( 0.674 -0.476 1.459) 1.676 2.790 ( -1.040 2.055 -0.770) 2.428 2.861 ( 2.944 -0.288 -1.225) 3.202 2.920 ( -5.601 -1.376 -9.643) 11.236 3.027 ( -2.334 -0.537 4.903) 5.456 3.125 ( -1.419 -1.030 -1.820) 2.527 3.186 ( -1.717 4.049 -0.128) 4.400 3.241 ( -0.381 0.033 1.592) 1.637 3.274 ( -3.041 0.274 0.139) 3.057 3.352 ( -0.407 1.001 -2.522) 2.744 3.393 ( 1.224 -0.640 2.435) 2.800 3.466 ( -0.415 -1.756 0.530) 1.880 3.494 ( -3.090 6.434 0.398) 7.148 3.627 ( 6.927 1.338 -1.300) 7.173 3.661 ( 1.498 5.393 -4.658) 7.282 3.746 ( 3.513 -1.395 9.081) 9.837 3.766 ( 0.734 0.002 0.535) 0.909 3.805 ( -3.428 1.200 5.415) 6.520 3.873 ( -0.669 -3.184 -2.861) 4.333 3.977 ( -3.058 -3.751 -2.635) 5.511 4.007 ( 0.818 1.936 -1.132) 2.387 4.059 ( -1.412 -0.147 0.680) 1.574 4.163 ( 3.069 1.445 -1.407) 3.673 4.243 ( -0.371 -3.374 1.268) 3.623 4.274 ( 0.681 -0.824 -0.218) 1.091 4.345 ( 3.763 -3.719 -5.643) 7.736 4.437 ( 1.160 -0.048 -2.021) 2.331 4.456 ( 4.025 -3.921 -7.981) 9.761 4.547 ( -0.291 0.190 0.672) 0.756 4.656 ( 5.868 -2.871 -2.734) 7.082 4.736 ( -0.597 0.192 -6.712) 6.741 4.741 ( 1.245 -3.525 1.595) 4.064 4.798 ( 4.263 -4.577 -0.545) 6.279 4.900 ( 3.012 2.322 -5.246) 6.479 4.956 ( -1.669 0.601 0.125) 1.778 4.999 ( -1.401 -0.151 0.963) 1.706 5.053 ( -0.362 -0.628 0.055) 0.727 5.128 ( -0.881 -0.217 5.553) 5.626 5.199 ( -3.508 -2.139 3.032) 5.106 5.255 ( 1.437 -2.857 -3.052) 4.421 5.500 ( -3.529 2.115 4.514) 6.108 5.539 ( -0.562 -3.161 2.648) 4.162 5.573 ( 1.962 0.066 1.699) 2.596 5.676 ( -3.323 -1.101 0.527) 3.540 5.746 ( 1.121 -3.236 4.500) 5.654 5.806 ( -1.678 -7.001 1.186) 7.296 5.900 ( -4.735 -5.071 0.037) 6.939 5.993 ( -2.049 -2.150 1.321) 3.250 6.026 ( -0.681 -4.168 3.451) 5.454 6.135 ( -1.857 1.939 -0.527) 2.736 6.171 ( -2.510 1.279 -0.816) 2.932 6.363 ( 0.477 1.565 0.796) 1.820 6.458 ( 1.985 -1.127 4.578) 5.116 6.641 ( -1.414 -3.335 0.516) 3.659 6.651 ( 0.386 -1.761 -1.468) 2.325 6.936 ( 5.398 -9.042 -2.182) 10.754 8.254 ( -0.017 0.299 1.453) 1.484 8.349 ( -2.129 -1.399 2.291) 3.426 8.392 ( -4.383 -3.246 -3.511) 6.486 8.705 ( 5.885 -9.598 -1.191) 11.321 9.102 ( -1.736 1.017 2.718) 3.381 9.157 ( 0.093 0.856 1.028) 1.341 9.387 ( -3.622 -0.671 0.251) 3.692 9.442 ( 0.731 0.399 3.114) 3.223 9.468 ( -0.432 -4.536 2.894) 5.398 9.582 ( 7.221 -2.319 -4.145) 8.643 9.621 ( 0.818 1.651 -4.694) 5.043 9.874 ( -1.780 -3.505 1.628) 4.255 9.930 ( -3.104 5.486 0.973) 6.378 10.137 ( -2.451 2.356 -1.640) 3.775 10.234 ( -1.711 2.775 -9.116) 9.682 10.342 ( 0.528 3.773 -1.447) 4.075 10.363 ( 0.186 4.899 5.182) 7.134 10.542 ( 1.375 -1.432 -2.911) 3.523 10.549 ( -1.185 6.497 4.036) 7.740 10.732 ( 2.786 4.310 -0.256) 5.139 19.557 ( -2.104 3.771 1.596) 4.604 19.734 ( 1.143 4.589 -0.674) 4.777 19.800 ( 1.226 2.700 0.582) 3.022 19.874 ( -0.742 1.599 0.422) 1.813 20.168 ( -0.199 -3.003 -3.383) 4.528 20.276 ( -0.983 -2.570 -4.154) 4.983 20.545 ( -1.325 4.595 2.557) 5.423 20.798 ( 1.674 -3.414 -8.499) 9.311 20.993 ( 8.100 0.820 14.437) 16.574 21.451 ( -3.270 6.508 -6.938) 10.059 21.585 ( 0.223 -13.310 9.593) 16.409 21.715 ( 2.539 0.018 3.515) 4.336 21.755 ( -0.506 0.340 0.001) 0.610 21.938 ( -1.223 -0.677 0.567) 1.509 22.007 ( 1.430 -0.195 1.770) 2.284 22.458 ( -4.925 -5.339 -10.081) 12.426 ======================= Grid point 59 (30/65) ======================= q-point: (-0.20 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -3.810 19.951 4.177) 20.737 1.001 ( -11.796 14.599 9.043) 20.834 1.485 ( -2.164 2.250 8.131) 8.710 1.569 ( -4.687 6.490 2.683) 8.443 1.813 ( -4.006 13.144 -7.572) 15.689 1.823 ( 1.494 10.230 5.957) 11.932 1.962 ( 7.438 6.848 -3.821) 10.809 2.024 ( -4.279 6.103 -5.417) 9.214 2.147 ( -1.398 11.629 1.437) 11.800 2.210 ( -4.976 6.114 -0.634) 7.909 2.234 ( 1.363 13.020 -0.493) 13.100 2.373 ( 10.815 5.443 -2.708) 12.407 2.439 ( 1.876 0.888 -2.608) 3.333 2.518 ( 3.206 0.876 -2.353) 4.073 2.547 ( -0.719 2.441 -3.091) 4.004 2.635 ( -1.730 -1.373 -2.712) 3.498 2.737 ( 1.686 0.471 -7.536) 7.737 2.802 ( 1.695 1.304 -4.882) 5.330 2.863 ( -1.042 -1.379 2.659) 3.171 2.943 ( 3.940 0.937 8.302) 9.238 3.041 ( -2.540 0.903 -2.501) 3.677 3.095 ( 0.888 0.364 4.773) 4.869 3.132 ( 0.941 -0.456 -3.352) 3.512 3.180 ( -2.176 1.570 3.534) 4.438 3.262 ( -0.147 5.429 2.916) 6.164 3.355 ( -3.184 2.273 -4.578) 6.021 3.422 ( -6.000 -4.780 1.841) 7.889 3.447 ( 0.368 2.712 0.443) 2.772 3.475 ( 1.775 -2.060 -1.087) 2.929 3.541 ( -1.420 -1.515 -4.593) 5.040 3.625 ( -7.438 -3.149 1.961) 8.311 3.762 ( 1.795 -0.654 2.335) 3.017 3.829 ( 0.854 -2.680 4.607) 5.398 3.865 ( 3.842 -0.881 -1.944) 4.395 3.933 ( -1.160 -0.994 3.680) 3.985 3.983 ( 1.924 0.317 -1.360) 2.377 4.064 ( 8.022 1.638 -0.623) 8.211 4.086 ( 2.582 -1.779 2.829) 4.223 4.201 ( 3.616 -4.217 -1.894) 5.869 4.236 ( -1.946 -3.100 -2.265) 4.304 4.300 ( 5.310 -2.561 -3.220) 6.718 4.383 ( 3.852 -1.010 -5.084) 6.458 4.461 ( 1.826 -1.594 -2.340) 3.369 4.482 ( 3.047 0.782 -2.464) 3.995 4.541 ( -0.945 -0.854 -0.332) 1.316 4.643 ( 0.245 -5.826 -7.511) 9.509 4.712 ( -0.078 -2.394 -2.160) 3.226 4.776 ( 1.923 0.361 -0.485) 2.016 4.856 ( 2.339 0.332 -2.733) 3.613 4.905 ( -2.319 0.336 -1.152) 2.612 4.955 ( 3.064 -0.736 -0.567) 3.202 4.991 ( 0.161 0.390 0.463) 0.627 5.074 ( 0.869 0.884 0.754) 1.451 5.123 ( -3.227 -0.503 5.249) 6.182 5.188 ( 1.327 -2.414 1.612) 3.192 5.241 ( -0.085 0.608 -3.876) 3.924 5.453 ( -4.173 0.198 5.060) 6.562 5.523 ( -8.641 -3.972 7.794) 12.296 5.606 ( 1.732 -1.606 -1.695) 2.907 5.627 ( 1.380 0.713 2.984) 3.364 5.776 ( -1.372 -4.438 3.133) 5.603 5.796 ( -1.387 -3.207 2.529) 4.313 5.862 ( 1.812 -1.981 0.749) 2.787 5.943 ( -6.654 -4.144 2.043) 8.100 5.990 ( -2.193 -1.367 2.340) 3.486 6.102 ( -1.721 -0.589 -0.383) 1.859 6.162 ( 1.777 2.225 -0.553) 2.901 6.349 ( -2.413 2.531 0.849) 3.598 6.469 ( -5.962 -0.292 6.805) 9.052 6.623 ( 0.437 -3.577 -0.838) 3.700 6.672 ( 3.526 2.126 -2.039) 4.595 7.025 ( 4.872 -17.655 -4.968) 18.977 8.244 ( -0.637 -0.556 1.013) 1.319 8.293 ( -3.571 -1.801 -0.345) 4.014 8.377 ( 1.906 1.499 0.293) 2.442 8.774 ( 3.269 -8.999 -3.135) 10.075 9.103 ( -0.019 2.118 0.619) 2.206 9.155 ( -0.432 2.758 2.214) 3.563 9.301 ( -2.023 -0.798 -0.176) 2.182 9.440 ( -4.374 -1.483 -1.168) 4.764 9.562 ( 1.658 -2.721 3.625) 4.827 9.579 ( 0.932 6.200 -1.694) 6.494 9.658 ( 4.654 -6.607 -5.650) 9.860 9.829 ( -2.879 -1.342 0.691) 3.250 9.903 ( -1.854 0.520 3.535) 4.026 10.049 ( -2.061 -0.939 -4.476) 5.016 10.191 ( 1.772 3.030 -1.702) 3.901 10.328 ( -0.557 5.148 0.043) 5.178 10.407 ( -1.485 3.253 5.928) 6.923 10.520 ( -3.298 3.501 1.584) 5.065 10.593 ( 4.430 2.249 0.126) 4.970 10.789 ( 3.094 2.249 -1.937) 4.287 19.537 ( -1.192 3.343 2.149) 4.149 19.715 ( -2.161 0.435 1.293) 2.556 19.816 ( 2.317 4.533 -3.043) 5.931 19.992 ( 8.533 4.624 4.028) 10.508 20.155 ( 0.428 -0.642 -1.517) 1.702 20.262 ( 2.009 -0.197 -0.991) 2.249 20.504 ( -4.192 4.049 1.912) 6.134 20.787 ( 2.741 -0.417 -9.849) 10.232 21.197 ( 2.285 -7.244 3.801) 8.494 21.341 ( -1.496 9.716 -0.545) 9.846 21.600 ( -1.806 -9.737 1.291) 9.987 21.750 ( 0.195 0.401 -0.566) 0.721 21.832 ( 2.502 -1.128 4.035) 4.880 21.951 ( 4.674 1.837 4.933) 7.039 22.039 ( -2.524 -4.553 0.403) 5.221 22.225 ( -9.608 -4.717 -6.716) 12.636 ======================= Grid point 60 (31/65) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -2.127 8.748 7.616) 11.792 1.176 ( -2.178 10.079 4.411) 11.216 1.445 ( -3.199 -5.655 6.322) 9.066 1.592 ( -3.397 -5.386 1.536) 6.550 1.844 ( -7.499 12.637 -7.302) 16.409 1.991 ( 8.273 3.916 -3.872) 9.938 2.058 ( -5.365 6.745 -1.394) 8.731 2.167 ( -3.792 9.947 -1.504) 10.751 2.186 ( 4.065 -1.659 2.184) 4.904 2.273 ( -2.961 3.022 -4.201) 5.963 2.363 ( 0.816 -0.135 -3.805) 3.894 2.443 ( -4.805 3.826 -2.997) 6.834 2.536 ( -4.799 10.897 -1.398) 11.989 2.609 ( 5.230 -3.264 -0.115) 6.166 2.634 ( 2.716 -1.779 -2.431) 4.056 2.658 ( 6.220 1.648 -3.216) 7.194 2.718 ( 1.238 -3.527 -1.313) 3.962 2.841 ( -2.110 2.672 2.691) 4.340 2.874 ( -1.858 0.052 -4.049) 4.455 2.975 ( 1.360 -1.678 -7.651) 7.950 3.050 ( 0.245 -0.811 3.673) 3.770 3.103 ( 1.788 0.768 -3.487) 3.994 3.129 ( 1.507 6.042 4.481) 7.672 3.222 ( 3.405 1.180 2.715) 4.513 3.285 ( -0.747 5.797 -3.224) 6.675 3.364 ( -3.700 0.830 1.925) 4.253 3.395 ( 3.696 -1.045 -4.253) 5.730 3.414 ( 2.867 0.536 3.411) 4.488 3.493 ( 3.131 -2.717 4.100) 5.830 3.563 ( -0.177 3.713 1.947) 4.196 3.640 ( -1.995 8.096 7.420) 11.161 3.730 ( 3.821 -8.103 -0.478) 8.971 3.781 ( -5.122 -3.648 3.866) 7.381 3.818 ( 1.766 -7.653 -6.860) 10.428 3.914 ( 0.453 -7.245 -3.701) 8.148 4.008 ( -0.024 -4.860 0.862) 4.936 4.031 ( -4.816 2.690 1.334) 5.676 4.060 ( 0.885 -1.965 -4.235) 4.752 4.147 ( 1.673 4.896 1.855) 5.497 4.276 ( 7.400 3.184 -1.354) 8.169 4.326 ( -1.936 0.428 -1.500) 2.486 4.414 ( 1.607 -2.930 -1.527) 3.674 4.444 ( -1.986 1.047 1.003) 2.460 4.472 ( -0.420 3.478 -7.369) 8.159 4.546 ( 3.595 0.129 0.908) 3.710 4.614 ( 0.660 -1.547 -5.154) 5.421 4.706 ( 2.841 2.847 2.140) 4.556 4.736 ( -3.020 2.094 -0.669) 3.735 4.852 ( 2.347 -2.075 -0.746) 3.220 4.882 ( -1.561 -0.194 3.460) 3.801 4.976 ( -2.845 -0.040 0.761) 2.945 5.034 ( 1.066 3.538 0.755) 3.771 5.065 ( -0.382 1.200 1.246) 1.771 5.114 ( -2.682 -0.835 2.044) 3.474 5.270 ( -0.963 -3.038 2.119) 3.827 5.304 ( -1.856 4.736 -2.048) 5.484 5.451 ( 1.652 6.547 0.404) 6.764 5.482 ( 1.699 0.028 7.638) 7.825 5.554 ( 0.092 -3.255 0.089) 3.257 5.652 ( 1.731 -2.861 -0.982) 3.486 5.722 ( -1.745 -9.739 7.968) 12.703 5.793 ( 2.202 0.219 -0.883) 2.382 5.801 ( -2.954 4.653 3.755) 6.669 5.900 ( 0.589 -0.462 -4.671) 4.730 5.957 ( 0.232 -1.226 3.819) 4.018 5.995 ( -1.149 -0.409 -0.804) 1.461 6.168 ( -0.833 -4.167 0.214) 4.255 6.327 ( -4.462 -3.201 -4.017) 6.804 6.436 ( -0.517 1.811 2.678) 3.273 6.549 ( 0.338 -4.665 -0.286) 4.686 6.646 ( -2.331 -11.762 -1.058) 12.037 6.715 ( 3.053 -5.310 -0.258) 6.131 8.238 ( -0.610 0.792 -0.272) 1.036 8.274 ( 2.335 -0.983 0.767) 2.647 8.424 ( -0.543 2.075 -0.705) 2.258 8.615 ( -0.659 -7.958 -3.179) 8.594 9.120 ( -0.827 1.314 -2.386) 2.847 9.195 ( -2.206 -1.924 1.053) 3.111 9.294 ( -4.445 0.416 -4.492) 6.333 9.319 ( 0.741 1.685 -1.146) 2.168 9.405 ( -2.458 -1.133 -3.440) 4.377 9.587 ( 3.860 -5.824 -2.925) 7.575 9.772 ( 1.585 1.536 3.213) 3.898 9.791 ( -0.940 -0.383 4.076) 4.201 9.955 ( 2.800 4.168 2.955) 5.826 10.037 ( 4.252 -0.486 0.421) 4.300 10.281 ( -0.026 4.598 0.637) 4.642 10.418 ( -1.330 -0.914 2.682) 3.130 10.467 ( 3.365 5.507 0.952) 6.523 10.556 ( -1.404 3.212 2.856) 4.521 10.683 ( -0.042 0.584 1.596) 1.700 10.776 ( -2.194 -2.921 -0.354) 3.670 19.618 ( 0.364 3.626 4.112) 5.495 19.709 ( 0.832 -1.029 3.729) 3.957 19.960 ( 0.449 7.911 -3.350) 8.603 20.131 ( 0.577 0.321 -2.087) 2.189 20.184 ( -1.338 2.453 2.925) 4.045 20.341 ( 6.062 -3.934 -0.488) 7.243 20.517 ( 0.085 7.007 -0.446) 7.022 20.790 ( -1.427 3.748 -4.287) 5.870 20.940 ( -4.858 -9.841 -5.254) 12.168 21.197 ( -8.256 -11.879 -6.433) 15.832 21.623 ( 2.365 4.613 0.719) 5.234 21.728 ( -2.142 -0.172 -3.767) 4.337 21.824 ( -2.350 -0.200 0.758) 2.477 21.858 ( -0.465 -1.410 -1.815) 2.345 22.116 ( 1.131 2.318 6.962) 7.424 22.217 ( 8.534 -2.272 6.696) 11.082 ======================= Grid point 61 (32/65) ======================= q-point: ( 0.20 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -2.120 7.784 9.458) 12.432 1.317 ( 10.636 3.286 8.697) 14.127 1.424 ( -3.209 -4.974 3.920) 7.100 1.542 ( -0.413 -5.862 2.021) 6.214 1.700 ( -1.115 4.421 -7.779) 9.017 1.936 ( -6.796 -1.534 0.601) 6.993 2.059 ( -0.615 11.157 -1.339) 11.254 2.082 ( -3.488 4.896 -1.196) 6.130 2.222 ( 2.531 2.117 0.883) 3.416 2.236 ( -1.422 5.276 -9.866) 11.278 2.358 ( -4.717 0.544 -1.548) 4.995 2.377 ( 0.027 4.802 -0.388) 4.817 2.470 ( 3.758 10.284 -2.501) 11.231 2.518 ( -0.426 5.063 -3.826) 6.360 2.629 ( -2.270 -0.413 -3.061) 3.833 2.722 ( 1.951 -2.673 -1.541) 3.650 2.804 ( 3.475 -2.475 1.900) 4.670 2.832 ( 1.260 -1.396 -3.249) 3.754 2.883 ( 2.199 1.908 4.567) 5.416 2.982 ( 3.093 0.412 -2.653) 4.096 3.075 ( 1.499 -4.597 0.105) 4.837 3.119 ( -3.318 6.926 -0.675) 7.709 3.199 ( -2.165 3.807 -1.130) 4.523 3.220 ( 7.363 4.838 -3.663) 9.542 3.252 ( -7.414 -1.799 3.213) 8.278 3.363 ( 5.943 -3.073 2.283) 7.069 3.438 ( 2.378 0.210 -0.508) 2.440 3.488 ( 1.656 0.034 -1.889) 2.513 3.547 ( 1.247 -5.305 -3.326) 6.385 3.571 ( -4.354 3.606 2.872) 6.341 3.687 ( -5.712 -3.975 2.417) 7.367 3.711 ( 4.714 5.468 4.720) 8.625 3.743 ( -6.013 -7.018 -2.830) 9.666 3.762 ( 2.269 -4.951 -0.909) 5.522 3.901 ( -0.047 -3.516 1.095) 3.683 4.008 ( -1.758 -0.277 3.148) 3.616 4.027 ( 1.511 -2.586 0.643) 3.064 4.056 ( 2.570 0.286 0.412) 2.618 4.155 ( -1.198 5.340 0.795) 5.530 4.286 ( 0.621 2.109 -1.312) 2.560 4.370 ( -2.931 2.882 -1.392) 4.340 4.394 ( 3.215 1.131 -4.594) 5.720 4.446 ( 2.714 0.957 -0.344) 2.899 4.484 ( 2.207 1.061 -3.079) 3.934 4.527 ( -1.314 1.815 -2.443) 3.315 4.584 ( 2.631 -2.779 -4.819) 6.154 4.690 ( -3.150 0.272 -0.588) 3.216 4.742 ( -1.626 6.184 -1.380) 6.542 4.766 ( -4.814 3.873 0.001) 6.178 4.940 ( -0.677 0.807 0.603) 1.214 4.995 ( 4.868 -2.324 2.503) 5.947 5.038 ( 0.180 4.203 1.802) 4.577 5.110 ( 1.275 -0.294 1.889) 2.298 5.115 ( 1.167 -0.233 2.621) 2.878 5.206 ( -4.953 9.678 -3.392) 11.389 5.265 ( -0.042 -5.454 2.215) 5.886 5.496 ( 2.048 4.706 -3.005) 5.948 5.556 ( -1.327 -3.819 6.309) 7.493 5.582 ( 2.040 -2.563 0.480) 3.311 5.640 ( -3.531 -1.302 0.995) 3.893 5.711 ( -4.369 2.120 5.952) 7.682 5.764 ( -3.702 0.201 0.930) 3.822 5.791 ( 1.094 -5.984 4.965) 7.852 5.881 ( -0.184 -6.324 -0.359) 6.337 5.999 ( 3.505 -0.569 -0.485) 3.584 6.091 ( 5.221 -1.019 0.022) 5.320 6.139 ( -1.460 -5.634 -0.130) 5.822 6.208 ( -2.343 -5.827 -4.941) 7.992 6.453 ( -0.056 1.971 2.196) 2.951 6.556 ( -0.257 -2.294 1.291) 2.645 6.597 ( -0.586 -5.585 -1.139) 5.730 6.754 ( 0.985 -9.571 -0.612) 9.641 8.238 ( 0.802 1.854 0.145) 2.025 8.334 ( 3.420 -2.671 0.681) 4.392 8.394 ( -2.511 0.097 1.305) 2.832 8.540 ( -3.887 -7.164 -4.195) 9.167 9.103 ( 0.520 0.335 -1.230) 1.377 9.140 ( -2.350 -1.776 -0.921) 3.087 9.235 ( 0.048 -2.366 -0.074) 2.368 9.290 ( -0.270 -3.924 -2.799) 4.828 9.416 ( 2.701 5.748 1.510) 6.528 9.619 ( 1.562 -4.409 -3.447) 5.810 9.784 ( -2.142 0.881 2.657) 3.525 9.815 ( 0.273 -0.671 3.094) 3.177 10.046 ( 3.922 5.717 -1.354) 7.064 10.136 ( 6.056 1.203 -0.815) 6.228 10.289 ( 0.690 4.955 -0.424) 5.021 10.420 ( -0.318 -0.425 1.358) 1.458 10.512 ( -1.131 4.395 -0.514) 4.567 10.567 ( 1.596 4.418 3.141) 5.651 10.637 ( -5.064 -0.053 1.029) 5.167 10.757 ( -0.496 -2.920 2.513) 3.884 19.660 ( -0.044 4.276 4.494) 6.203 19.759 ( 0.834 -0.449 3.747) 3.865 19.922 ( -1.433 6.616 -4.064) 7.896 20.043 ( -6.479 4.752 -2.468) 8.405 20.159 ( -0.931 -1.592 0.506) 1.912 20.386 ( -3.243 -8.294 -0.615) 8.927 20.557 ( 1.424 9.284 -1.899) 9.583 20.684 ( 2.092 4.271 -1.551) 5.003 20.921 ( -2.912 -7.202 0.446) 7.781 21.040 ( 0.873 -15.164 -3.142) 15.511 21.658 ( 0.164 1.753 -0.405) 1.807 21.665 ( -0.514 1.063 -2.320) 2.604 21.796 ( -1.423 0.893 1.079) 1.996 21.850 ( -0.137 -1.588 -0.287) 1.619 22.170 ( -0.147 6.074 3.849) 7.192 22.403 ( 6.157 -5.148 1.309) 8.132 ======================= Grid point 62 (33/65) ======================= q-point: ( 0.40 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 0.107 8.382 9.729) 12.843 1.368 ( -3.011 1.396 3.967) 5.172 1.572 ( -0.712 -4.875 3.861) 6.259 1.626 ( -0.171 -8.165 10.800) 13.540 1.700 ( 7.589 2.916 -3.668) 8.919 1.850 ( 3.442 -2.870 6.607) 7.983 1.982 ( -4.884 8.045 -1.276) 9.497 2.073 ( 1.680 4.912 -4.089) 6.608 2.104 ( -1.757 8.637 -2.139) 9.069 2.263 ( -0.233 1.258 -4.279) 4.466 2.309 ( 3.001 4.055 1.137) 5.171 2.382 ( 1.559 9.011 0.483) 9.157 2.512 ( 1.000 8.280 2.740) 8.779 2.562 ( 1.978 1.878 -3.641) 4.549 2.618 ( 4.981 6.327 -3.146) 8.645 2.751 ( 1.868 -1.210 -1.200) 2.529 2.801 ( -0.769 2.627 -8.806) 9.221 2.828 ( -1.946 -4.024 -1.874) 4.847 2.916 ( -1.575 0.922 7.110) 7.341 2.996 ( -2.811 0.687 0.729) 2.984 3.066 ( 0.012 0.538 -3.721) 3.760 3.119 ( -1.357 -0.606 -2.759) 3.134 3.130 ( -2.320 -3.865 3.214) 5.536 3.186 ( 2.086 -0.468 2.066) 2.973 3.325 ( 2.970 -0.551 -3.688) 4.767 3.382 ( -1.823 -4.249 -2.585) 5.297 3.435 ( -0.802 -1.682 -2.626) 3.220 3.475 ( -3.338 0.334 -0.698) 3.427 3.522 ( 0.158 -0.218 2.985) 2.997 3.586 ( 0.676 -2.090 1.665) 2.756 3.608 ( 4.601 -2.764 -2.923) 6.112 3.627 ( -4.209 -3.960 2.825) 6.433 3.801 ( 0.255 0.291 3.183) 3.207 3.833 ( -2.085 2.050 0.476) 2.962 3.885 ( 2.548 -3.446 1.747) 4.628 4.001 ( -0.896 -1.967 -0.069) 2.162 4.027 ( -1.398 3.903 -6.830) 7.990 4.122 ( 3.974 0.651 -3.906) 5.611 4.179 ( 1.439 -0.850 4.831) 5.112 4.245 ( -4.464 4.069 -3.485) 6.974 4.303 ( 0.233 -0.001 -1.836) 1.851 4.356 ( -4.802 -3.124 -5.622) 8.027 4.441 ( -1.990 3.969 -0.924) 4.535 4.508 ( 2.396 6.338 -1.484) 6.937 4.553 ( 3.678 0.663 -1.480) 4.019 4.583 ( 0.289 -1.041 -1.833) 2.128 4.659 ( -1.156 2.911 -1.161) 3.341 4.687 ( 5.439 3.208 -1.573) 6.507 4.752 ( 0.635 5.546 -1.821) 5.871 4.939 ( -0.186 3.043 0.377) 3.072 5.032 ( 0.545 0.491 0.278) 0.785 5.082 ( -3.030 6.338 0.156) 7.027 5.095 ( 0.235 1.970 2.036) 2.843 5.144 ( 0.251 4.146 -0.302) 4.164 5.167 ( 2.021 -1.595 1.196) 2.839 5.277 ( -2.920 -2.566 -0.284) 3.897 5.446 ( -0.040 -0.246 -2.378) 2.391 5.554 ( -2.092 -1.239 0.966) 2.617 5.599 ( -3.521 -0.048 2.298) 4.204 5.622 ( 1.404 -1.725 5.271) 5.721 5.682 ( -0.909 -0.505 3.817) 3.956 5.733 ( -2.308 -1.635 4.312) 5.157 5.839 ( -1.912 -6.887 4.583) 8.490 5.864 ( -4.455 -10.238 4.051) 11.877 6.016 ( 2.004 -2.001 -5.694) 6.359 6.134 ( 2.913 -6.046 1.350) 6.846 6.157 ( 2.645 -0.298 -1.395) 3.005 6.220 ( 2.806 -3.414 -0.567) 4.455 6.456 ( -1.133 2.601 1.864) 3.395 6.566 ( -0.267 -2.083 2.301) 3.115 6.594 ( 0.732 -3.914 -1.873) 4.400 6.749 ( -0.412 -10.208 -1.049) 10.270 8.265 ( 1.291 2.676 0.635) 3.039 8.348 ( -2.553 -0.948 1.436) 3.079 8.417 ( -0.936 -4.855 -1.110) 5.068 8.439 ( 1.700 -6.097 -0.895) 6.392 9.109 ( -0.365 0.104 1.928) 1.965 9.134 ( 1.456 -0.880 0.516) 1.778 9.257 ( 2.647 -2.427 1.168) 3.776 9.314 ( 1.082 -3.944 5.017) 6.473 9.487 ( 4.329 2.341 -1.492) 5.142 9.578 ( -3.729 -2.638 -3.331) 5.653 9.736 ( -2.286 4.369 -2.128) 5.371 9.833 ( -0.595 -1.760 1.819) 2.600 10.082 ( 1.912 6.452 -3.236) 7.467 10.221 ( 3.067 -0.055 -3.807) 4.889 10.296 ( 1.361 4.667 -2.360) 5.404 10.421 ( -0.577 1.179 2.364) 2.703 10.439 ( -3.545 1.482 -5.756) 6.921 10.534 ( -3.092 -2.434 -0.424) 3.958 10.646 ( 0.598 6.556 5.322) 8.465 10.770 ( -0.904 0.771 4.102) 4.270 19.665 ( -2.172 4.303 2.514) 5.436 19.781 ( -1.099 -0.406 2.560) 2.815 19.865 ( -0.579 5.286 -3.627) 6.437 19.950 ( -1.377 4.964 -1.195) 5.288 20.133 ( -0.823 -4.639 -3.777) 6.038 20.263 ( -3.323 -6.405 -5.238) 8.917 20.578 ( 1.616 4.283 -0.509) 4.606 20.789 ( 0.188 -0.717 -0.280) 0.793 20.842 ( 1.684 1.694 6.911) 7.312 21.170 ( 5.043 -13.971 11.679) 18.895 21.620 ( -0.676 3.220 -3.186) 4.580 21.677 ( 1.061 -0.248 -0.804) 1.354 21.781 ( -0.847 1.287 0.887) 1.778 21.859 ( 0.877 -2.235 1.388) 2.773 22.152 ( -2.426 7.487 -2.163) 8.162 22.449 ( 0.083 -6.769 -4.966) 8.396 ======================= Grid point 63 (34/65) ======================= q-point: (-0.40 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -4.985 12.291 7.182) 15.084 1.367 ( -4.282 5.949 1.470) 7.476 1.432 ( -6.633 -2.029 11.255) 13.221 1.680 ( -4.027 -2.012 8.425) 9.552 1.872 ( 1.924 5.304 1.269) 5.783 1.901 ( 8.030 0.682 -2.069) 8.320 2.022 ( -0.280 7.142 -4.706) 8.558 2.035 ( 7.190 0.085 2.106) 7.493 2.207 ( 1.304 0.752 6.645) 6.814 2.267 ( 4.938 -0.721 -3.760) 6.248 2.373 ( 2.584 9.129 -0.711) 9.514 2.454 ( 3.714 5.631 2.795) 7.302 2.539 ( 0.306 4.272 1.375) 4.498 2.598 ( 4.058 5.983 -3.353) 7.969 2.667 ( 0.348 3.557 -4.857) 6.030 2.693 ( -1.298 3.768 -6.122) 7.305 2.731 ( -2.888 -0.813 2.538) 3.929 2.802 ( -0.892 -2.895 -0.547) 3.078 2.841 ( -3.307 1.546 -1.145) 3.826 2.946 ( -4.122 4.292 -7.283) 9.405 3.003 ( 0.394 -2.592 5.218) 5.839 3.111 ( -0.152 0.520 -2.811) 2.863 3.159 ( 1.714 -5.889 3.436) 7.030 3.227 ( 0.591 -3.831 0.817) 3.962 3.300 ( -0.668 2.571 -1.557) 3.079 3.349 ( -3.137 -2.491 -3.600) 5.385 3.398 ( 0.991 0.014 0.104) 0.996 3.447 ( 2.003 -0.134 -1.797) 2.695 3.576 ( 0.324 -1.200 1.138) 1.686 3.595 ( -2.051 -6.468 4.487) 8.135 3.638 ( 2.100 3.961 2.696) 5.232 3.758 ( 4.874 2.096 -0.446) 5.324 3.761 ( -1.511 -3.505 2.526) 4.577 3.825 ( 3.200 -2.292 2.052) 4.439 3.831 ( -6.933 1.163 -7.982) 10.636 3.912 ( -3.782 -3.772 -0.918) 5.419 3.976 ( 0.377 -0.433 -5.239) 5.271 4.100 ( -1.189 -4.329 -3.992) 6.008 4.173 ( -0.597 2.644 -1.324) 3.016 4.202 ( 0.465 -1.632 -10.348) 10.486 4.279 ( 1.721 1.835 3.800) 4.557 4.327 ( 2.458 -0.735 -1.094) 2.789 4.423 ( 0.717 5.863 -0.195) 5.910 4.493 ( 0.505 4.870 -5.088) 7.061 4.583 ( 0.704 -1.375 -1.500) 2.153 4.607 ( 0.212 3.956 1.050) 4.099 4.701 ( 2.359 -3.952 0.783) 4.669 4.738 ( -0.442 0.590 -5.418) 5.468 4.791 ( 6.699 6.349 0.062) 9.230 4.918 ( -2.593 2.376 -1.030) 3.664 5.020 ( -1.092 3.625 0.461) 3.814 5.054 ( 1.327 2.221 -0.147) 2.591 5.117 ( -1.151 -1.532 4.133) 4.556 5.133 ( 0.235 8.450 -1.890) 8.662 5.189 ( -3.827 1.086 1.487) 4.247 5.232 ( 4.822 0.614 -2.832) 5.626 5.463 ( 1.093 -4.915 -0.348) 5.047 5.529 ( -5.646 0.642 5.395) 7.835 5.570 ( 1.354 -0.593 1.796) 2.326 5.654 ( -5.694 -1.896 3.664) 7.032 5.698 ( 0.560 -0.957 3.894) 4.049 5.713 ( -2.745 -3.814 6.616) 8.115 5.784 ( -1.019 -6.388 0.582) 6.495 5.864 ( -1.005 -7.108 2.457) 7.588 6.013 ( 0.493 0.160 -0.152) 0.540 6.162 ( -1.198 -0.017 -0.688) 1.382 6.170 ( -0.044 -0.444 -2.195) 2.240 6.327 ( 7.769 -9.313 0.555) 12.141 6.440 ( -1.942 2.264 2.143) 3.673 6.563 ( -1.747 -2.752 1.686) 3.670 6.591 ( 0.255 -3.852 -1.266) 4.063 6.735 ( 0.075 -10.000 -1.634) 10.133 8.262 ( -2.056 0.532 0.619) 2.212 8.315 ( -3.244 -2.431 0.435) 4.077 8.369 ( 2.116 1.335 -0.865) 2.647 8.541 ( 5.212 -7.544 -0.349) 9.177 9.129 ( 0.326 1.848 3.580) 4.041 9.172 ( 0.625 0.697 3.532) 3.654 9.352 ( 4.042 -3.247 3.482) 6.245 9.389 ( 2.177 -3.888 6.924) 8.234 9.439 ( -6.793 1.640 -3.399) 7.772 9.539 ( 2.897 -2.421 -4.209) 5.654 9.691 ( 0.639 4.410 -5.669) 7.211 9.817 ( -1.688 -2.609 0.383) 3.131 10.048 ( -3.583 5.846 -2.558) 7.318 10.160 ( -4.504 -0.146 -4.876) 6.640 10.289 ( -0.539 3.642 -6.267) 7.269 10.385 ( 3.573 1.648 -1.944) 4.389 10.439 ( -0.689 1.796 4.102) 4.531 10.495 ( -0.497 -3.116 -1.282) 3.406 10.675 ( -1.542 6.360 4.850) 8.145 10.786 ( -0.005 1.178 2.631) 2.883 19.629 ( -2.612 3.778 1.199) 4.747 19.749 ( -3.705 -2.238 1.249) 4.505 19.876 ( 4.727 6.157 -3.226) 8.406 19.968 ( 3.552 6.267 -0.321) 7.211 20.104 ( 1.343 -3.883 -2.445) 4.781 20.209 ( 0.834 -4.522 -4.491) 6.428 20.612 ( 1.141 2.551 0.675) 2.875 20.723 ( 0.260 -3.985 -6.410) 7.552 21.020 ( 2.594 3.263 15.838) 16.378 21.332 ( 1.169 -12.469 12.968) 18.028 21.581 ( -0.293 6.225 -4.985) 7.981 21.706 ( 2.673 -1.082 -0.264) 2.896 21.783 ( 0.011 2.224 2.446) 3.306 21.896 ( 0.836 -3.105 3.005) 4.401 22.066 ( -2.806 5.642 -4.618) 7.813 22.338 ( -5.448 -7.215 -10.062) 13.527 ======================= Grid point 64 (35/65) ======================= q-point: (-0.20 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -5.873 13.687 4.387) 15.527 1.252 ( -8.195 12.860 6.810) 16.701 1.451 ( -3.088 -4.519 8.300) 9.942 1.628 ( -4.523 -0.815 5.802) 7.401 1.899 ( 4.644 3.288 -6.119) 8.356 1.998 ( -0.018 7.035 -5.921) 9.195 2.049 ( 5.042 0.051 1.463) 5.250 2.174 ( -5.092 5.218 0.793) 7.334 2.246 ( 7.654 -1.570 5.895) 9.788 2.295 ( -2.778 2.959 -3.705) 5.495 2.363 ( 0.728 3.958 -3.067) 5.060 2.490 ( 0.324 7.034 0.250) 7.046 2.529 ( 1.015 5.586 4.138) 7.025 2.596 ( -1.170 1.243 -8.276) 8.450 2.604 ( 0.276 5.436 -6.026) 8.120 2.655 ( -1.262 4.175 -1.561) 4.633 2.719 ( -1.207 -0.457 -4.219) 4.412 2.826 ( 5.390 -0.906 -0.385) 5.479 2.862 ( 1.401 2.101 2.945) 3.880 2.917 ( 3.351 -0.108 2.522) 4.196 3.070 ( 1.705 -0.392 2.071) 2.711 3.082 ( 0.331 -0.338 -2.446) 2.492 3.186 ( -2.968 1.746 -1.318) 3.687 3.229 ( 0.934 -2.654 2.395) 3.695 3.262 ( -1.398 2.286 0.313) 2.698 3.315 ( -0.211 -0.438 -6.063) 6.083 3.409 ( 0.729 -0.111 0.778) 1.072 3.451 ( -1.413 -1.634 0.017) 2.160 3.468 ( -7.271 -1.834 -1.323) 7.615 3.552 ( 1.047 -1.874 -0.361) 2.177 3.636 ( -3.110 6.588 4.644) 8.639 3.705 ( -1.121 -2.614 -3.627) 4.609 3.807 ( -0.061 -1.094 4.465) 4.598 3.818 ( 1.643 -5.588 -1.272) 5.962 3.909 ( 2.391 -2.968 2.108) 4.355 3.949 ( 3.937 -2.570 -2.347) 5.255 4.017 ( 6.227 -2.969 2.584) 7.367 4.077 ( 1.638 -6.549 -3.763) 7.728 4.136 ( 0.493 3.521 -7.350) 8.164 4.194 ( 3.609 2.511 -3.853) 5.846 4.311 ( -0.869 1.841 5.240) 5.622 4.401 ( 4.346 -2.369 3.189) 5.888 4.440 ( 0.873 5.044 -2.681) 5.779 4.475 ( 2.172 -0.926 -6.659) 7.066 4.544 ( -1.631 0.229 -1.233) 2.058 4.630 ( -2.363 6.096 -2.035) 6.848 4.659 ( 2.504 -2.453 -3.547) 4.987 4.759 ( 2.294 -2.926 0.482) 3.749 4.831 ( -0.564 1.476 -4.697) 4.956 4.914 ( -0.256 -0.232 3.732) 3.748 4.998 ( -0.575 3.251 1.009) 3.452 5.031 ( -3.829 1.427 0.594) 4.129 5.098 ( -2.741 0.460 2.641) 3.834 5.153 ( -2.368 1.329 2.141) 3.458 5.204 ( 7.188 3.337 -2.938) 8.452 5.309 ( 4.042 4.636 -2.262) 6.553 5.436 ( -3.516 -0.876 5.312) 6.430 5.471 ( -6.335 -0.790 7.930) 10.181 5.572 ( -0.174 -2.368 -2.868) 3.723 5.628 ( 0.068 -1.025 0.830) 1.321 5.687 ( 0.916 -4.835 4.363) 6.576 5.757 ( -1.811 -5.397 0.330) 5.703 5.791 ( 0.874 0.801 7.279) 7.375 5.878 ( 2.149 -1.194 -1.726) 3.003 5.989 ( -3.734 0.853 1.506) 4.115 6.094 ( -4.881 0.164 -1.758) 5.191 6.165 ( 0.846 -2.202 -0.476) 2.406 6.398 ( -0.798 0.101 -0.920) 1.222 6.442 ( -1.386 -4.348 3.042) 5.484 6.549 ( 0.070 -3.909 -0.093) 3.911 6.608 ( 3.567 -8.365 -0.044) 9.093 6.718 ( -0.859 -8.206 -1.763) 8.437 8.241 ( -0.007 0.115 0.502) 0.515 8.265 ( -1.753 -1.188 -0.286) 2.137 8.415 ( 2.064 2.735 -0.560) 3.471 8.611 ( 2.899 -7.829 -1.931) 8.569 9.151 ( -0.675 2.904 0.713) 3.065 9.205 ( -0.813 2.097 4.585) 5.107 9.318 ( -2.120 2.088 -2.391) 3.817 9.394 ( -1.425 -2.239 -0.784) 2.767 9.471 ( -0.024 -4.704 1.317) 4.885 9.547 ( 2.711 -5.920 -5.065) 8.249 9.692 ( 3.375 4.929 -1.053) 6.065 9.792 ( -1.570 -1.401 1.964) 2.878 9.954 ( -3.661 3.017 0.910) 4.831 10.029 ( -3.501 -1.185 -3.730) 5.251 10.273 ( 1.047 5.364 -1.076) 5.570 10.417 ( 0.787 4.123 0.289) 4.207 10.440 ( -2.783 -0.458 3.981) 4.879 10.526 ( 4.015 -2.007 -1.295) 4.672 10.671 ( -1.520 5.301 3.426) 6.492 10.801 ( -0.383 -0.803 1.009) 1.346 19.601 ( -1.238 3.322 2.144) 4.143 19.697 ( -1.995 -1.663 1.645) 3.074 19.947 ( 3.577 8.225 -2.746) 9.380 20.071 ( 6.151 3.524 0.809) 7.135 20.142 ( 2.921 -0.759 -0.753) 3.110 20.228 ( 4.952 -3.792 -2.955) 6.902 20.578 ( -3.647 3.960 -1.130) 5.501 20.753 ( 4.936 -3.075 -2.935) 6.514 21.091 ( -4.528 -1.682 3.598) 6.023 21.355 ( -6.077 -10.552 3.663) 12.716 21.569 ( 2.851 8.375 -2.004) 9.071 21.751 ( 1.602 -0.651 -1.236) 2.126 21.823 ( 0.732 0.248 3.343) 3.431 21.928 ( -0.465 -4.783 1.514) 5.039 22.017 ( 0.771 2.955 0.336) 3.072 22.152 ( -4.578 -3.523 -4.034) 7.046 ======================= Grid point 65 (36/65) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -3.220 -5.238 2.946) 6.818 1.234 ( -3.220 5.238 2.946) 6.818 1.449 ( -4.477 -7.724 3.612) 9.630 1.449 ( -4.477 7.724 3.612) 9.630 2.018 ( -5.595 -4.046 -2.940) 7.505 2.018 ( -5.595 4.046 -2.940) 7.505 2.135 ( 2.373 -3.370 -0.427) 4.144 2.135 ( 2.373 3.370 -0.427) 4.144 2.275 ( -0.338 -2.456 -1.363) 2.829 2.275 ( -0.338 2.456 -1.363) 2.829 2.437 ( 2.484 -9.180 1.346) 9.605 2.437 ( 2.484 9.180 1.346) 9.605 2.550 ( -1.353 -4.396 -5.499) 7.169 2.550 ( -1.353 4.396 -5.499) 7.169 2.660 ( -2.478 -1.708 -4.162) 5.136 2.660 ( -2.478 1.708 -4.162) 5.136 2.776 ( 0.880 -7.063 -2.318) 7.485 2.776 ( 0.880 7.063 -2.318) 7.485 2.953 ( -2.333 -6.385 3.807) 7.792 2.953 ( -2.333 6.385 3.807) 7.792 3.058 ( 6.664 -8.140 -5.005) 11.650 3.058 ( 6.664 8.140 -5.005) 11.650 3.222 ( -0.331 -3.560 0.692) 3.641 3.222 ( -0.331 3.560 0.692) 3.641 3.365 ( 4.229 -3.514 -1.699) 5.755 3.365 ( 4.229 3.514 -1.699) 5.755 3.423 ( -0.097 -3.542 4.023) 5.361 3.423 ( -0.097 3.542 4.023) 5.361 3.515 ( 1.525 -13.712 -3.668) 14.276 3.515 ( 1.525 13.712 -3.668) 14.276 3.654 ( -0.009 -5.177 1.934) 5.527 3.654 ( -0.009 5.177 1.934) 5.527 3.724 ( -1.398 -2.343 3.574) 4.497 3.724 ( -1.398 2.343 3.574) 4.497 3.910 ( 1.187 -5.014 -6.186) 8.051 3.910 ( 1.187 5.014 -6.186) 8.051 4.060 ( -1.469 -0.898 2.849) 3.329 4.060 ( -1.469 0.898 2.849) 3.329 4.281 ( 3.056 -6.293 -3.808) 7.965 4.281 ( 3.056 6.293 -3.808) 7.965 4.335 ( 0.557 -2.532 2.802) 3.817 4.335 ( 0.557 2.532 2.802) 3.817 4.517 ( -2.313 -3.865 -0.878) 4.590 4.517 ( -2.313 3.865 -0.878) 4.590 4.550 ( 2.191 -1.806 -1.461) 3.193 4.550 ( 2.191 1.806 -1.461) 3.193 4.781 ( 4.630 -4.395 2.719) 6.938 4.781 ( 4.630 4.395 2.719) 6.938 4.848 ( -3.597 -3.807 1.271) 5.389 4.848 ( -3.597 3.807 1.271) 5.389 5.009 ( -1.259 -4.600 -1.753) 5.082 5.009 ( -1.259 4.600 -1.753) 5.082 5.129 ( 0.654 -4.173 0.428) 4.246 5.129 ( 0.654 4.173 0.428) 4.246 5.230 ( -3.176 -6.438 3.886) 8.163 5.230 ( -3.176 6.438 3.886) 8.163 5.527 ( 1.405 -0.443 -1.659) 2.219 5.527 ( 1.405 0.443 -1.659) 2.219 5.540 ( -0.194 -5.073 9.947) 11.168 5.540 ( -0.194 5.073 9.947) 11.168 5.754 ( 2.185 -6.271 -0.347) 6.650 5.754 ( 2.185 6.271 -0.347) 6.650 5.878 ( -1.635 -2.366 -2.679) 3.930 5.878 ( -1.635 2.366 -2.679) 3.930 6.018 ( -0.126 -3.371 -0.773) 3.461 6.018 ( -0.126 3.371 -0.773) 3.461 6.104 ( -2.245 -6.126 -3.060) 7.207 6.104 ( -2.245 6.126 -3.060) 7.207 6.477 ( -0.285 -3.004 1.181) 3.240 6.477 ( -0.285 3.004 1.181) 3.240 6.623 ( -0.220 -4.586 0.889) 4.676 6.623 ( -0.220 4.586 0.889) 4.676 8.255 ( 0.784 -0.977 0.451) 1.332 8.255 ( 0.784 0.977 0.451) 1.332 8.491 ( -0.755 -5.069 -2.223) 5.587 8.491 ( -0.755 5.069 -2.223) 5.587 9.153 ( -2.428 -2.147 -1.810) 3.713 9.153 ( -2.428 2.147 -1.810) 3.713 9.308 ( -3.399 -1.268 -4.961) 6.146 9.308 ( -3.399 1.268 -4.961) 6.146 9.471 ( 3.021 -5.981 0.510) 6.720 9.471 ( 3.021 5.981 0.510) 6.720 9.788 ( -0.314 -0.320 2.787) 2.823 9.788 ( -0.314 0.320 2.787) 2.823 10.016 ( 4.617 -2.096 1.892) 5.412 10.016 ( 4.617 2.096 1.892) 5.412 10.367 ( -0.594 -4.059 1.404) 4.336 10.367 ( -0.594 4.059 1.404) 4.336 10.553 ( 3.021 -3.107 1.716) 4.661 10.553 ( 3.021 3.107 1.716) 4.661 10.718 ( -3.628 -2.956 1.398) 4.884 10.718 ( -3.628 2.956 1.398) 4.884 19.676 ( 0.773 -2.421 4.143) 4.861 19.676 ( 0.773 2.421 4.143) 4.861 20.092 ( -0.293 -4.888 -3.511) 6.025 20.092 ( -0.293 4.888 -3.511) 6.025 20.246 ( 3.288 -4.549 1.345) 5.771 20.246 ( 3.288 4.549 1.345) 5.771 20.690 ( 1.733 -10.438 -0.317) 10.585 20.690 ( 1.733 10.438 -0.317) 10.585 20.981 ( -9.444 -10.130 -7.268) 15.641 20.981 ( -9.444 10.130 -7.268) 15.641 21.699 ( -0.289 -2.994 -3.009) 4.254 21.699 ( -0.289 2.994 -3.009) 4.254 21.831 ( -0.903 -1.027 0.629) 1.505 21.831 ( -0.903 1.027 0.629) 1.505 22.168 ( 4.964 -2.874 6.717) 8.833 22.168 ( 4.964 2.874 6.717) 8.833 ======================= Grid point 67 (37/65) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 1.467 -7.807 8.356) 11.529 1.269 ( 1.467 7.807 8.356) 11.529 1.422 ( 0.659 -5.366 2.712) 6.048 1.422 ( 0.659 5.366 2.712) 6.048 1.833 ( -8.155 -7.957 -5.256) 12.548 1.833 ( -8.155 7.957 -5.256) 12.548 2.158 ( -0.010 -3.008 -1.339) 3.293 2.158 ( -0.010 3.008 -1.339) 3.293 2.254 ( -0.053 -2.077 0.974) 2.295 2.254 ( -0.053 2.077 0.974) 2.295 2.408 ( -1.582 -4.747 -5.723) 7.602 2.408 ( -1.582 4.747 -5.723) 7.602 2.595 ( -0.259 -1.846 -1.317) 2.282 2.595 ( -0.259 1.846 -1.317) 2.282 2.634 ( 6.074 -8.826 0.425) 10.722 2.634 ( 6.074 8.826 0.425) 10.722 2.781 ( 1.169 -3.372 -1.630) 3.923 2.781 ( 1.169 3.372 -1.630) 3.923 2.955 ( 0.350 -5.200 3.823) 6.463 2.955 ( 0.350 5.200 3.823) 6.463 3.108 ( 0.590 -9.144 -2.052) 9.390 3.108 ( 0.590 9.144 -2.052) 9.390 3.222 ( -2.214 -1.974 0.002) 2.966 3.222 ( -2.214 1.974 0.002) 2.966 3.349 ( -0.689 -5.798 -6.991) 9.109 3.349 ( -0.689 5.798 -6.991) 9.109 3.423 ( 0.978 -6.355 0.296) 6.437 3.423 ( 0.978 6.355 0.296) 6.437 3.518 ( -0.153 -6.121 -3.753) 7.182 3.518 ( -0.153 6.121 -3.753) 7.182 3.652 ( -3.665 -4.200 5.082) 7.543 3.652 ( -3.665 4.200 5.082) 7.543 3.771 ( 3.306 -2.051 1.368) 4.124 3.771 ( 3.306 2.051 1.368) 4.124 3.912 ( 1.646 -5.218 -1.776) 5.752 3.912 ( 1.646 5.218 -1.776) 5.752 4.048 ( 0.009 -1.651 4.029) 4.355 4.048 ( 0.009 1.651 4.029) 4.355 4.263 ( -1.266 -4.026 -2.418) 4.864 4.263 ( -1.266 4.026 -2.418) 4.864 4.388 ( 0.916 -2.594 -2.287) 3.577 4.388 ( 0.916 2.594 -2.287) 3.577 4.486 ( 2.247 -2.079 -2.875) 4.200 4.486 ( 2.247 2.079 -2.875) 4.200 4.563 ( -0.168 -1.400 0.974) 1.714 4.563 ( -0.168 1.400 0.974) 1.714 4.753 ( -4.649 -3.433 -0.841) 5.840 4.753 ( -4.649 3.433 -0.841) 5.840 4.914 ( 4.223 -6.225 4.149) 8.591 4.914 ( 4.223 6.225 4.149) 8.591 5.025 ( 3.012 -6.540 0.365) 7.210 5.025 ( 3.012 6.540 0.365) 7.210 5.129 ( -0.336 -5.034 -0.689) 5.092 5.129 ( -0.336 5.034 -0.689) 5.092 5.211 ( -1.887 -7.557 3.270) 8.448 5.211 ( -1.887 7.557 3.270) 8.448 5.546 ( 1.150 -0.917 -0.514) 1.558 5.546 ( 1.150 0.917 -0.514) 1.558 5.588 ( -3.322 -4.479 5.634) 7.927 5.588 ( -3.322 4.479 5.634) 7.927 5.751 ( -2.061 -2.213 2.931) 4.211 5.751 ( -2.061 2.213 2.931) 4.211 5.795 ( -3.076 -3.495 -2.032) 5.080 5.795 ( -3.076 3.495 -2.032) 5.080 6.002 ( -1.054 -3.071 -3.364) 4.675 6.002 ( -1.054 3.071 -3.364) 4.675 6.107 ( 4.744 -2.929 -1.570) 5.793 6.107 ( 4.744 2.929 -1.570) 5.793 6.490 ( 0.716 -2.730 1.336) 3.123 6.490 ( 0.716 2.730 1.336) 3.123 6.616 ( -1.159 -5.246 0.754) 5.425 6.616 ( -1.159 5.246 0.754) 5.425 8.282 ( 1.532 -2.675 1.109) 3.276 8.282 ( 1.532 2.675 1.109) 3.276 8.434 ( -3.102 -3.968 -2.228) 5.507 8.434 ( -3.102 3.968 -2.228) 5.507 9.114 ( -0.510 -0.923 -1.261) 1.643 9.114 ( -0.510 0.923 -1.261) 1.643 9.233 ( -0.707 -1.838 -1.749) 2.634 9.233 ( -0.707 1.838 -1.749) 2.634 9.524 ( 1.978 -5.532 -0.366) 5.887 9.524 ( 1.978 5.532 -0.366) 5.887 9.802 ( -0.517 -0.802 2.753) 2.913 9.802 ( -0.517 0.802 2.753) 2.913 10.125 ( 5.581 -2.464 -1.937) 6.401 10.125 ( 5.581 2.464 -1.937) 6.401 10.376 ( 0.665 -3.950 0.211) 4.011 10.376 ( 0.665 3.950 0.211) 4.011 10.575 ( -3.377 -2.304 0.009) 4.088 10.575 ( -3.377 2.304 0.009) 4.088 10.689 ( 0.354 -4.166 4.436) 6.096 10.689 ( 0.354 4.166 4.436) 6.096 19.727 ( 0.421 -2.754 4.485) 5.280 19.727 ( 0.421 2.754 4.485) 5.280 20.040 ( -1.660 -4.895 -5.196) 7.329 20.040 ( -1.660 4.895 -5.196) 7.329 20.223 ( -5.636 -7.937 0.468) 9.746 20.223 ( -5.636 7.937 0.468) 9.746 20.759 ( 3.570 -8.429 -0.800) 9.189 20.759 ( 3.570 8.429 -0.800) 9.189 20.800 ( -2.237 -2.896 -1.263) 3.871 20.800 ( -2.237 2.896 -1.263) 3.871 21.675 ( -0.136 -0.138 -2.034) 2.044 21.675 ( -0.136 0.138 -2.034) 2.044 21.819 ( -0.898 -1.551 0.756) 1.945 21.819 ( -0.898 1.551 0.756) 1.945 22.292 ( 3.120 -6.455 2.617) 7.632 22.292 ( 3.120 6.455 2.617) 7.632 ======================= Grid point 69 (38/65) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -2.394 -7.078 12.008) 14.142 1.341 ( -2.394 7.078 12.008) 14.142 1.499 ( 1.480 -1.018 2.755) 3.289 1.499 ( 1.480 1.018 2.755) 3.289 1.779 ( 6.339 -4.305 4.890) 9.090 1.779 ( 6.339 4.305 4.890) 9.090 2.108 ( -4.319 -4.836 -2.100) 6.815 2.108 ( -4.319 4.836 -2.100) 6.815 2.223 ( -0.917 -5.436 -5.701) 7.930 2.223 ( -0.917 5.436 -5.701) 7.930 2.418 ( 4.406 -5.719 0.972) 7.285 2.418 ( 4.406 5.719 0.972) 7.285 2.579 ( -0.288 -3.673 0.290) 3.695 2.579 ( -0.288 3.673 0.290) 3.695 2.721 ( 2.421 -2.219 -1.228) 3.506 2.721 ( 2.421 2.219 -1.228) 3.506 2.797 ( 0.898 -2.946 -0.781) 3.177 2.797 ( 0.898 2.946 -0.781) 3.177 3.006 ( -0.492 -5.060 3.979) 6.456 3.006 ( -0.492 5.060 3.979) 6.456 3.042 ( -2.352 -4.812 -5.806) 7.899 3.042 ( -2.352 4.812 -5.806) 7.899 3.167 ( -1.458 -1.432 -1.890) 2.783 3.167 ( -1.458 1.432 -1.890) 2.783 3.287 ( -0.899 -4.142 -2.761) 5.058 3.287 ( -0.899 4.142 -2.761) 5.058 3.435 ( -1.166 -4.419 -1.507) 4.812 3.435 ( -1.166 4.419 -1.507) 4.812 3.525 ( 3.937 -0.176 0.518) 3.975 3.525 ( 3.937 0.176 0.518) 3.975 3.606 ( -1.512 -2.338 1.981) 3.417 3.606 ( -1.512 2.338 1.981) 3.417 3.813 ( -1.998 -2.376 3.463) 4.651 3.813 ( -1.998 2.376 3.463) 4.651 3.934 ( 2.320 -4.762 -2.782) 5.983 3.934 ( 2.320 4.762 -2.782) 5.983 4.098 ( 0.753 -2.733 -6.063) 6.693 4.098 ( 0.753 2.733 -6.063) 6.693 4.209 ( -0.202 -3.457 -0.080) 3.463 4.209 ( -0.202 3.457 -0.080) 3.463 4.311 ( -4.768 -1.364 -4.000) 6.372 4.311 ( -4.768 1.364 -4.000) 6.372 4.539 ( 1.082 -3.529 -0.723) 3.761 4.539 ( 1.082 3.529 -0.723) 3.761 4.567 ( 2.603 -1.193 -0.251) 2.874 4.567 ( 2.603 1.193 -0.251) 2.874 4.713 ( 1.307 -1.843 -2.069) 3.064 4.713 ( 1.307 1.843 -2.069) 3.064 4.983 ( 0.251 -9.170 1.561) 9.305 4.983 ( 0.251 9.170 1.561) 9.305 5.063 ( -0.004 -7.363 1.938) 7.614 5.063 ( -0.004 7.363 1.938) 7.614 5.132 ( 0.563 -2.608 -1.059) 2.871 5.132 ( 0.563 2.608 -1.059) 2.871 5.199 ( -0.992 -3.330 2.381) 4.212 5.199 ( -0.991 3.330 2.381) 4.212 5.501 ( -3.219 -5.562 -0.911) 6.491 5.501 ( -3.219 5.562 -0.911) 6.491 5.590 ( 0.976 -0.391 2.928) 3.111 5.590 ( 0.976 0.391 2.928) 3.111 5.715 ( -6.065 -3.054 5.956) 9.032 5.715 ( -6.065 3.054 5.956) 9.032 5.753 ( -1.449 -3.077 1.929) 3.910 5.753 ( -1.449 3.077 1.929) 3.910 6.006 ( 3.944 -4.373 -2.267) 6.310 6.006 ( 3.944 4.373 -2.267) 6.310 6.176 ( 2.891 -1.302 -2.011) 3.755 6.176 ( 2.891 1.302 -2.011) 3.755 6.513 ( 0.478 -3.523 0.610) 3.607 6.513 ( 0.478 3.523 0.610) 3.607 6.597 ( -1.092 -4.794 0.749) 4.974 6.597 ( -1.092 4.794 0.749) 4.974 8.326 ( 0.007 -3.406 1.768) 3.838 8.326 ( 0.007 3.406 1.768) 3.838 8.365 ( -0.360 -1.468 -1.575) 2.183 8.365 ( -0.360 1.468 -1.575) 2.183 9.117 ( 0.976 -0.812 1.290) 1.810 9.117 ( 0.976 0.812 1.290) 1.810 9.256 ( 1.927 -1.961 3.228) 4.240 9.256 ( 1.927 1.961 3.228) 4.240 9.532 ( -0.010 -2.369 -2.660) 3.562 9.532 ( -0.010 2.369 -2.660) 3.562 9.797 ( -1.382 -2.311 0.423) 2.726 9.797 ( -1.382 2.311 0.423) 2.726 10.182 ( 3.045 -3.856 -5.066) 7.057 10.182 ( 3.045 3.856 -5.066) 7.057 10.381 ( -0.008 -3.911 -2.389) 4.583 10.381 ( -0.008 3.911 -2.389) 4.583 10.485 ( -3.723 -2.622 -0.372) 4.569 10.485 ( -3.723 2.622 -0.372) 4.569 10.745 ( 0.140 -3.494 5.732) 6.715 10.745 ( 0.140 3.494 5.732) 6.715 19.738 ( -2.223 -3.318 2.709) 4.826 19.738 ( -2.223 3.318 2.709) 4.826 19.975 ( 0.180 -4.725 -5.779) 7.467 19.975 ( 0.180 4.725 -5.779) 7.467 20.129 ( -2.592 -6.157 -1.150) 6.778 20.129 ( -2.592 6.157 -1.150) 6.778 20.692 ( -1.326 -6.808 -4.636) 8.342 20.692 ( -1.326 6.808 -4.636) 8.342 20.957 ( 5.249 -8.561 13.444) 16.781 20.957 ( 5.249 8.561 13.444) 16.781 21.663 ( 0.481 -1.398 -2.093) 2.563 21.663 ( 0.481 1.398 -2.093) 2.563 21.816 ( -0.084 -2.204 1.294) 2.557 21.816 ( -0.084 2.204 1.294) 2.557 22.304 ( -1.341 -8.245 -3.922) 9.229 22.304 ( -1.341 8.245 -3.922) 9.229 ======================= Grid point 71 (39/65) ======================= q-point: (-0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -4.471 -4.375 10.590) 12.300 1.360 ( -4.471 4.375 10.590) 12.300 1.538 ( -1.177 -10.311 7.562) 12.841 1.538 ( -1.177 10.311 7.562) 12.841 1.941 ( -2.011 -3.730 0.638) 4.285 1.941 ( -2.011 3.730 0.638) 4.285 2.057 ( 8.132 -5.184 -1.873) 9.824 2.057 ( 8.132 5.184 -1.873) 9.824 2.216 ( 2.248 -2.002 0.917) 3.147 2.216 ( 2.248 2.002 0.917) 3.147 2.503 ( 2.512 -4.930 1.033) 5.628 2.503 ( 2.512 4.930 1.033) 5.628 2.589 ( 1.024 -4.516 -1.242) 4.794 2.589 ( 1.024 4.516 -1.242) 4.794 2.732 ( -1.401 -0.785 2.971) 3.377 2.732 ( -1.401 0.785 2.971) 3.377 2.783 ( 0.050 -4.416 -4.737) 6.477 2.783 ( 0.050 4.416 -4.737) 6.477 2.902 ( -4.557 -6.283 -0.579) 7.783 2.902 ( -4.557 6.283 -0.579) 7.783 3.037 ( 1.490 -5.075 -4.917) 7.222 3.037 ( 1.490 5.075 -4.917) 7.222 3.158 ( 1.096 -1.931 0.170) 2.227 3.158 ( 1.096 1.931 0.170) 2.227 3.296 ( 2.721 -2.298 -0.367) 3.581 3.296 ( 2.721 2.298 -0.367) 3.581 3.427 ( 1.137 -3.225 -1.105) 3.594 3.427 ( 1.137 3.225 -1.105) 3.594 3.566 ( -0.226 -1.788 2.607) 3.169 3.566 ( -0.226 1.788 2.607) 3.169 3.675 ( 0.550 -3.543 0.145) 3.588 3.675 ( 0.550 3.543 0.145) 3.588 3.769 ( -1.620 -1.816 2.291) 3.343 3.769 ( -1.620 1.816 2.291) 3.343 3.870 ( -3.158 -1.456 -4.990) 6.082 3.870 ( -3.158 1.456 -4.990) 6.082 4.013 ( 0.039 -3.189 -8.560) 9.135 4.013 ( 0.039 3.189 -8.560) 9.135 4.202 ( 0.762 -0.649 -4.198) 4.316 4.202 ( 0.762 0.649 -4.198) 4.316 4.295 ( 3.013 -0.872 0.580) 3.190 4.295 ( 3.013 0.872 0.580) 3.190 4.532 ( -0.127 -3.002 -0.163) 3.009 4.532 ( -0.127 3.002 -0.163) 3.009 4.618 ( 1.253 -4.295 -1.507) 4.721 4.618 ( 1.253 4.295 -1.507) 4.721 4.702 ( -1.284 -4.549 -2.039) 5.148 4.702 ( -1.284 4.549 -2.039) 5.148 4.963 ( -2.064 -9.568 1.739) 9.942 4.963 ( -2.064 9.568 1.739) 9.942 5.071 ( -2.069 -2.264 2.363) 3.871 5.071 ( -2.069 2.264 2.363) 3.871 5.120 ( 0.126 -11.131 -2.703) 11.455 5.120 ( 0.126 11.131 -2.703) 11.455 5.220 ( 2.163 -2.091 1.278) 3.269 5.220 ( 2.163 2.091 1.278) 3.269 5.480 ( 0.081 -6.803 0.943) 6.868 5.480 ( 0.081 6.803 0.943) 6.868 5.585 ( -5.794 -3.546 8.734) 11.065 5.585 ( -5.794 3.546 8.734) 11.065 5.682 ( -1.302 -1.958 2.282) 3.276 5.682 ( -1.302 1.958 2.282) 3.276 5.771 ( 3.496 -4.131 -0.053) 5.412 5.771 ( 3.496 4.131 -0.053) 5.412 6.072 ( 3.022 -7.941 -0.895) 8.544 6.072 ( 3.022 7.941 -0.895) 8.544 6.184 ( -0.095 -1.785 -1.944) 2.640 6.184 ( -0.095 1.785 -1.944) 2.640 6.499 ( -1.975 -3.661 0.356) 4.176 6.499 ( -1.975 3.661 0.356) 4.176 6.599 ( 0.537 -4.374 0.792) 4.477 6.599 ( 0.537 4.374 0.792) 4.477 8.278 ( -2.738 -1.372 0.194) 3.069 8.278 ( -2.738 1.372 0.194) 3.069 8.426 ( 4.131 -4.567 0.075) 6.158 8.426 ( 4.131 4.567 0.075) 6.158 9.166 ( 1.620 -1.622 4.230) 4.812 9.166 ( 1.620 1.622 4.230) 4.812 9.329 ( 1.850 -1.538 4.686) 5.267 9.329 ( 1.850 1.538 4.686) 5.267 9.488 ( -1.579 -2.899 -3.728) 4.979 9.488 ( -1.579 2.899 -3.728) 4.979 9.764 ( -0.627 -3.210 -2.580) 4.166 9.764 ( -0.627 3.210 -2.580) 4.166 10.132 ( -4.542 -2.914 -5.393) 7.630 10.132 ( -4.542 2.914 -5.393) 7.630 10.368 ( 2.844 -3.844 -4.566) 6.612 10.368 ( 2.844 3.844 -4.566) 6.612 10.455 ( -1.417 -1.080 2.908) 3.410 10.455 ( -1.417 1.080 2.908) 3.410 10.768 ( -1.471 -3.137 4.333) 5.548 10.768 ( -1.471 3.137 4.333) 5.548 19.696 ( -3.152 -3.228 0.962) 4.613 19.696 ( -3.152 3.228 0.962) 4.613 19.992 ( 5.398 -5.393 -3.241) 8.291 19.992 ( 5.398 5.393 -3.241) 8.291 20.108 ( 1.252 -5.719 -2.367) 6.315 20.108 ( 1.252 5.719 -2.367) 6.315 20.658 ( 0.530 -2.808 -2.674) 3.914 20.658 ( 0.530 2.808 -2.674) 3.914 21.132 ( 0.819 -8.501 15.019) 17.277 21.132 ( 0.819 8.501 15.019) 17.277 21.668 ( 2.080 -3.091 -2.289) 4.373 21.668 ( 2.080 3.091 -2.289) 4.373 21.835 ( 0.285 -3.177 2.860) 4.284 21.835 ( 0.285 3.177 2.860) 4.284 22.195 ( -4.477 -7.586 -8.178) 12.019 22.195 ( -4.477 7.586 -8.178) 12.019 ======================= Grid point 73 (40/65) ======================= q-point: (-0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -7.087 -7.172 6.416) 11.950 1.315 ( -7.087 7.172 6.416) 11.950 1.515 ( -5.812 -10.752 5.382) 13.355 1.515 ( -5.812 10.752 5.382) 13.355 1.971 ( 7.481 -4.373 -2.360) 8.981 1.971 ( 7.481 4.373 -2.360) 8.981 2.161 ( 0.423 -7.677 1.833) 7.904 2.161 ( 0.423 7.677 1.833) 7.904 2.246 ( 0.337 -2.072 -0.497) 2.157 2.246 ( 0.337 2.072 -0.497) 2.157 2.479 ( -4.888 -4.152 -1.720) 6.640 2.479 ( -4.888 4.152 -1.720) 6.640 2.596 ( 1.123 -1.855 -2.557) 3.353 2.596 ( 1.123 1.855 -2.557) 3.353 2.712 ( 0.161 -1.537 -0.249) 1.566 2.712 ( 0.161 1.537 -0.249) 1.566 2.772 ( 0.632 -5.211 -1.756) 5.535 2.772 ( 0.632 5.211 -1.756) 5.535 2.924 ( 2.055 -8.707 6.083) 10.818 2.924 ( 2.055 8.707 6.083) 10.818 3.019 ( 2.533 -6.768 -9.498) 11.935 3.019 ( 2.533 6.768 -9.498) 11.935 3.219 ( 4.873 -1.991 0.516) 5.289 3.219 ( 4.873 1.991 0.516) 5.289 3.312 ( -3.304 -2.573 -1.227) 4.364 3.312 ( -3.304 2.573 -1.227) 4.364 3.399 ( -1.272 -0.967 0.101) 1.600 3.399 ( -1.272 0.967 0.101) 1.600 3.530 ( -0.690 -8.988 -2.325) 9.310 3.530 ( -0.690 8.988 -2.325) 9.310 3.622 ( 1.527 -9.433 -1.512) 9.674 3.622 ( 1.527 9.433 -1.512) 9.674 3.768 ( -4.258 -3.159 4.942) 7.248 3.768 ( -4.258 3.159 4.942) 7.248 3.932 ( 2.950 -3.981 -3.532) 6.084 3.932 ( 2.950 3.981 -3.532) 6.084 3.989 ( 5.732 -3.086 -1.726) 6.735 3.989 ( 5.732 3.086 -1.726) 6.735 4.221 ( 3.920 -1.386 -3.316) 5.318 4.221 ( 3.920 1.386 -3.316) 5.318 4.340 ( -0.493 -2.386 3.506) 4.270 4.340 ( -0.493 2.386 3.506) 4.270 4.517 ( 0.408 -2.883 -3.901) 4.867 4.517 ( 0.408 2.883 -3.901) 4.867 4.580 ( -2.288 -6.731 -1.146) 7.201 4.580 ( -2.288 6.731 -1.146) 7.201 4.704 ( 2.182 -3.750 0.740) 4.401 4.704 ( 2.182 3.750 0.740) 4.401 4.912 ( -4.086 -3.427 0.430) 5.350 4.912 ( -4.086 3.427 0.430) 5.350 5.048 ( -1.124 -1.342 0.409) 1.797 5.048 ( -1.124 1.342 0.409) 1.797 5.115 ( 0.927 -5.216 -1.826) 5.603 5.115 ( 0.927 5.216 -1.826) 5.603 5.254 ( -1.496 -6.080 3.725) 7.286 5.254 ( -1.496 6.080 3.725) 7.286 5.485 ( -1.718 -2.883 6.461) 7.281 5.485 ( -1.718 2.883 6.461) 7.281 5.553 ( -2.615 -3.356 1.536) 4.523 5.553 ( -2.615 3.356 1.536) 4.523 5.690 ( 2.494 -5.428 1.000) 6.057 5.690 ( 2.494 5.428 1.000) 6.057 5.855 ( 3.915 -2.731 0.172) 4.776 5.855 ( 3.915 2.731 0.172) 4.776 6.069 ( -2.135 -6.970 -2.089) 7.583 6.069 ( -2.135 6.970 -2.089) 7.583 6.160 ( -1.159 -8.547 -1.629) 8.778 6.160 ( -1.159 8.547 -1.629) 8.778 6.476 ( -0.712 -3.630 1.110) 3.862 6.476 ( -0.712 3.630 1.110) 3.862 6.615 ( 0.376 -4.546 0.708) 4.616 6.615 ( 0.376 4.546 0.708) 4.616 8.248 ( -0.507 -0.632 0.125) 0.820 8.248 ( -0.507 0.632 0.125) 0.820 8.488 ( 2.349 -5.137 -1.097) 5.754 8.488 ( 2.349 5.137 -1.097) 5.754 9.204 ( -1.570 -2.212 2.331) 3.576 9.204 ( -1.570 2.212 2.331) 3.576 9.364 ( 0.232 -2.669 -0.431) 2.714 9.364 ( 0.232 2.669 -0.431) 2.714 9.446 ( -0.220 -3.520 -2.314) 4.218 9.446 ( -0.220 3.520 -2.314) 4.218 9.761 ( 1.566 -2.408 -0.090) 2.874 9.761 ( 1.566 2.408 -0.090) 2.874 10.001 ( -4.021 -1.915 -1.576) 4.724 10.001 ( -4.021 1.915 -1.576) 4.724 10.379 ( -0.752 -5.252 0.198) 5.310 10.379 ( -0.752 5.252 0.198) 5.310 10.482 ( 3.109 -2.648 0.509) 4.115 10.482 ( 3.109 2.648 0.509) 4.115 10.759 ( -2.371 -3.585 2.914) 5.192 10.759 ( -2.371 3.585 2.914) 5.192 19.657 ( -1.426 -2.542 1.907) 3.483 19.657 ( -1.426 2.542 1.907) 3.483 20.092 ( 3.115 -4.987 0.133) 5.881 20.092 ( 3.115 4.987 0.133) 5.881 20.138 ( 6.226 -2.822 -4.249) 8.049 20.138 ( 6.226 2.822 -4.249) 8.049 20.666 ( 1.558 -5.314 -1.218) 5.670 20.666 ( 1.558 5.314 -1.218) 5.670 21.163 ( -6.299 -8.291 4.590) 11.379 21.163 ( -6.299 8.291 4.590) 11.379 21.704 ( 2.544 -4.935 -2.296) 6.009 21.704 ( 2.544 4.935 -2.296) 6.009 21.849 ( -1.371 -2.834 1.828) 3.641 21.849 ( -1.371 2.834 1.828) 3.641 22.084 ( -0.662 -3.710 -1.294) 3.985 22.084 ( -0.662 3.710 -1.294) 3.985 ======================= Grid point 90 (41/65) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -9.067 0.000 24.179) 25.823 0.986 ( 0.405 0.000 21.133) 21.137 1.209 ( -5.073 0.000 5.973) 7.837 1.214 ( 7.135 0.000 -21.083) 22.257 1.453 ( 1.857 0.000 17.614) 17.712 1.524 ( 4.751 0.000 -8.923) 10.108 1.777 ( -0.611 0.000 6.963) 6.990 1.798 ( 4.313 0.000 1.432) 4.545 1.845 ( 7.855 0.000 -2.905) 8.375 2.033 ( -2.507 0.000 -1.448) 2.895 2.074 ( -3.126 0.000 5.208) 6.074 2.209 ( 1.056 0.000 -12.403) 12.448 2.398 ( 9.227 0.000 1.418) 9.336 2.430 ( -7.898 0.000 -0.096) 7.899 2.637 ( -3.733 0.000 3.330) 5.002 2.679 ( 2.364 0.000 -0.098) 2.366 2.690 ( 4.655 0.000 0.777) 4.720 2.693 ( -5.386 0.000 3.729) 6.551 2.853 ( 3.486 0.000 -6.128) 7.050 2.854 ( 1.367 0.000 -1.340) 1.914 2.956 ( -2.151 0.000 -9.267) 9.514 2.991 ( 0.980 0.000 -8.897) 8.951 3.149 ( 0.935 0.000 9.708) 9.753 3.209 ( -1.574 0.000 0.187) 1.585 3.268 ( 1.242 0.000 -7.720) 7.820 3.311 ( 0.282 0.000 -5.412) 5.420 3.388 ( -1.276 0.000 8.317) 8.415 3.489 ( -4.446 0.000 -3.941) 5.941 3.497 ( -1.805 0.000 3.191) 3.666 3.602 ( -4.273 0.000 6.001) 7.367 3.662 ( 7.839 0.000 -10.000) 12.706 3.685 ( 0.062 0.000 -2.164) 2.165 3.923 ( 1.155 0.000 6.746) 6.844 3.961 ( -5.675 0.000 1.153) 5.791 3.981 ( 0.807 0.000 6.439) 6.489 4.053 ( 4.954 0.000 5.086) 7.100 4.092 ( -0.243 0.000 5.147) 5.153 4.181 ( -0.853 0.000 1.426) 1.662 4.188 ( -14.321 0.000 -3.801) 14.817 4.212 ( 7.854 0.000 -6.452) 10.164 4.218 ( -0.308 0.000 -10.287) 10.292 4.248 ( 0.234 0.000 -7.224) 7.227 4.426 ( 0.291 0.000 -2.424) 2.441 4.490 ( 5.426 0.000 -4.565) 7.091 4.602 ( 5.180 0.000 3.667) 6.347 4.665 ( -7.650 0.000 -2.517) 8.054 4.716 ( -2.245 0.000 6.255) 6.646 4.777 ( 2.025 0.000 0.663) 2.131 4.855 ( -1.589 0.000 -2.189) 2.705 4.860 ( -0.531 0.000 -3.230) 3.274 5.078 ( -5.266 0.000 5.666) 7.735 5.083 ( -0.213 0.000 4.165) 4.170 5.133 ( 2.164 0.000 0.315) 2.187 5.204 ( 6.450 0.000 -4.291) 7.747 5.247 ( 2.107 0.000 4.278) 4.769 5.338 ( -1.027 0.000 -4.320) 4.440 5.483 ( -1.003 0.000 1.971) 2.212 5.548 ( 0.826 0.000 -3.947) 4.033 5.761 ( 9.225 0.000 3.615) 9.908 5.803 ( -3.948 0.000 -1.251) 4.142 5.826 ( -2.447 0.000 3.374) 4.168 5.861 ( -9.134 0.000 0.709) 9.161 5.955 ( -0.239 0.000 0.370) 0.440 5.960 ( 2.281 0.000 -0.977) 2.482 6.033 ( -1.193 0.000 2.586) 2.848 6.086 ( 1.985 0.000 -2.186) 2.953 6.390 ( 4.852 0.000 2.008) 5.251 6.393 ( -2.481 0.000 0.377) 2.509 6.519 ( -0.725 0.000 5.988) 6.032 6.614 ( -0.196 0.000 -3.481) 3.486 6.656 ( -3.693 0.000 9.654) 10.337 6.911 ( 1.802 0.000 -13.296) 13.417 8.249 ( -8.854 0.000 1.536) 8.986 8.283 ( 8.371 0.000 -1.689) 8.540 8.590 ( 1.497 0.000 9.837) 9.950 8.790 ( -0.584 0.000 -9.461) 9.479 9.151 ( -1.449 0.000 1.523) 2.103 9.194 ( 2.519 0.000 -2.973) 3.897 9.270 ( -0.507 0.000 3.700) 3.735 9.335 ( 0.163 0.000 -2.708) 2.713 9.465 ( -3.630 0.000 7.338) 8.187 9.638 ( 1.422 0.000 -8.794) 8.909 9.752 ( 1.479 0.000 10.101) 10.208 9.896 ( 2.651 0.000 1.619) 3.106 9.973 ( -2.665 0.000 -1.643) 3.130 10.071 ( -1.889 0.000 -4.868) 5.222 10.222 ( 0.309 0.000 4.311) 4.322 10.302 ( 0.814 0.000 -2.177) 2.325 10.359 ( -0.801 0.000 -1.509) 1.709 10.360 ( -1.780 0.000 -0.055) 1.781 10.551 ( 1.922 0.000 -1.494) 2.435 10.554 ( 1.630 0.000 -0.916) 1.870 19.537 ( -0.839 0.000 3.430) 3.531 19.592 ( 1.129 0.000 -1.942) 2.247 19.859 ( -9.422 0.000 2.308) 9.701 19.905 ( 9.384 0.000 -1.740) 9.544 20.265 ( -7.123 0.000 4.848) 8.616 20.326 ( 7.186 0.000 -0.213) 7.189 20.517 ( 3.613 0.000 -1.748) 4.014 20.522 ( 0.388 0.000 -2.176) 2.210 21.318 ( -3.271 0.000 2.459) 4.093 21.365 ( 5.605 0.000 -2.423) 6.106 21.717 ( -4.313 0.000 2.450) 4.960 21.758 ( -4.026 0.000 -0.087) 4.027 21.809 ( 2.716 0.000 -2.057) 3.407 21.825 ( -1.072 0.000 -2.341) 2.575 22.200 ( -2.404 0.000 4.060) 4.718 22.288 ( 3.471 0.000 -4.468) 5.658 ======================= Grid point 91 (42/65) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( -1.094 0.000 20.858) 20.886 1.212 ( 7.417 0.000 11.023) 13.286 1.217 ( 2.558 0.000 0.729) 2.660 1.266 ( 11.466 0.000 -9.658) 14.991 1.498 ( -1.496 0.000 -9.955) 10.066 1.533 ( 1.136 0.000 -7.187) 7.276 1.742 ( -4.291 0.000 -4.060) 5.907 1.861 ( -2.551 0.000 -8.752) 9.116 1.905 ( 1.069 0.000 -1.163) 1.580 1.949 ( -2.833 0.000 -4.617) 5.417 2.131 ( 7.650 0.000 10.676) 13.134 2.148 ( 6.652 0.000 -12.217) 13.911 2.320 ( -1.723 0.000 6.670) 6.889 2.583 ( -2.079 0.000 2.645) 3.364 2.599 ( -7.339 0.000 -0.377) 7.348 2.647 ( 3.920 0.000 3.767) 5.437 2.751 ( 6.749 0.000 2.699) 7.269 2.803 ( 1.854 0.000 1.300) 2.264 2.814 ( 2.964 0.000 -3.421) 4.527 2.842 ( -4.113 0.000 -4.101) 5.808 2.929 ( 1.916 0.000 -8.396) 8.612 2.936 ( 5.234 0.000 -1.658) 5.490 3.198 ( -0.137 0.000 2.563) 2.567 3.216 ( -4.891 0.000 -3.470) 5.997 3.231 ( 2.389 0.000 -0.861) 2.540 3.239 ( 0.536 0.000 -1.466) 1.561 3.395 ( -6.432 0.000 4.899) 8.086 3.452 ( 0.876 0.000 -5.564) 5.632 3.487 ( 0.452 0.000 6.502) 6.518 3.564 ( -9.766 0.000 1.230) 9.844 3.577 ( -3.715 0.000 8.131) 8.939 3.651 ( -7.421 0.000 -5.104) 9.007 3.854 ( -3.273 0.000 -3.838) 5.044 3.950 ( -4.413 0.000 2.988) 5.330 3.967 ( 2.547 0.000 -1.236) 2.831 4.005 ( -8.124 0.000 2.498) 8.500 4.091 ( -4.515 0.000 -5.216) 6.899 4.113 ( 1.478 0.000 5.115) 5.324 4.162 ( 3.623 0.000 9.341) 10.019 4.215 ( 3.474 0.000 -3.423) 4.877 4.284 ( 8.779 0.000 -2.986) 9.273 4.359 ( 1.181 0.000 -0.436) 1.259 4.462 ( -6.557 0.000 -2.221) 6.923 4.498 ( 8.301 0.000 1.790) 8.491 4.524 ( 2.190 0.000 -6.325) 6.693 4.685 ( 0.703 0.000 1.048) 1.262 4.714 ( -3.571 0.000 2.975) 4.648 4.790 ( 0.751 0.000 -2.586) 2.693 4.844 ( 0.652 0.000 7.785) 7.812 4.890 ( 2.777 0.000 -1.302) 3.067 5.015 ( -2.458 0.000 3.712) 4.453 5.092 ( -1.978 0.000 -2.310) 3.042 5.199 ( 3.161 0.000 -0.086) 3.163 5.266 ( 0.671 0.000 -5.091) 5.135 5.288 ( 1.827 0.000 -1.212) 2.192 5.322 ( 3.067 0.000 -0.364) 3.089 5.489 ( -0.998 0.000 3.211) 3.362 5.539 ( 0.266 0.000 -2.276) 2.291 5.609 ( -6.034 0.000 -1.646) 6.254 5.750 ( -3.633 0.000 4.222) 5.569 5.863 ( 1.296 0.000 3.516) 3.747 5.949 ( 2.701 0.000 0.581) 2.763 5.959 ( 1.210 0.000 -1.400) 1.850 6.043 ( 0.253 0.000 1.585) 1.605 6.046 ( 2.709 0.000 -0.724) 2.804 6.167 ( 11.839 0.000 -0.242) 11.842 6.304 ( -6.092 0.000 -2.053) 6.429 6.424 ( 0.523 0.000 -0.579) 0.780 6.553 ( -1.999 0.000 3.014) 3.617 6.580 ( -0.146 0.000 -2.946) 2.950 6.655 ( -4.824 0.000 14.212) 15.008 6.808 ( -2.526 0.000 -10.093) 10.405 8.188 ( 0.194 0.000 0.675) 0.702 8.500 ( 12.276 0.000 -0.611) 12.291 8.664 ( -1.359 0.000 9.676) 9.771 8.682 ( -1.152 0.000 -10.473) 10.537 9.091 ( -4.043 0.000 1.160) 4.207 9.214 ( 3.776 0.000 -2.866) 4.741 9.322 ( -0.128 0.000 7.020) 7.021 9.339 ( 0.026 0.000 -5.463) 5.463 9.493 ( 0.340 0.000 6.095) 6.105 9.641 ( 5.084 0.000 -5.240) 7.301 9.806 ( -3.565 0.000 -6.143) 7.103 9.834 ( -0.716 0.000 8.171) 8.202 10.015 ( 0.973 0.000 -4.765) 4.863 10.039 ( 2.056 0.000 5.459) 5.833 10.194 ( -7.649 0.000 -3.955) 8.611 10.213 ( -3.554 0.000 2.898) 4.586 10.328 ( -1.618 0.000 1.017) 1.911 10.363 ( 0.344 0.000 1.198) 1.246 10.532 ( -1.986 0.000 -2.393) 3.110 10.559 ( 0.305 0.000 -3.039) 3.054 19.538 ( -1.418 0.000 2.584) 2.948 19.590 ( 0.592 0.000 -2.786) 2.848 19.743 ( -4.616 0.000 2.776) 5.387 20.091 ( 10.390 0.000 -3.805) 11.065 20.138 ( -7.883 0.000 0.761) 7.919 20.417 ( -0.337 0.000 5.160) 5.171 20.459 ( 0.194 0.000 -8.675) 8.677 20.603 ( 5.980 0.000 -0.564) 6.007 21.170 ( -11.203 0.000 1.095) 11.257 21.344 ( -3.157 0.000 -3.340) 4.596 21.721 ( -0.611 0.000 1.252) 1.393 21.733 ( 0.082 0.000 5.846) 5.847 21.855 ( 4.389 0.000 -1.057) 4.515 21.901 ( 5.319 0.000 1.488) 5.523 22.188 ( -1.655 0.000 4.837) 5.113 22.328 ( 4.686 0.000 -6.197) 7.769 ======================= Grid point 92 (43/65) ======================= q-point: ( 0.40 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 0.466 0.000 13.470) 13.478 1.123 ( -21.011 0.000 1.847) 21.092 1.266 ( -1.267 0.000 4.480) 4.656 1.398 ( 14.978 0.000 -12.315) 19.391 1.463 ( 2.114 0.000 -13.418) 13.584 1.595 ( -0.749 0.000 -8.406) 8.439 1.618 ( 8.474 0.000 0.925) 8.524 1.730 ( -3.400 0.000 -2.859) 4.442 1.887 ( 0.756 0.000 -7.404) 7.442 1.915 ( -3.080 0.000 -1.152) 3.289 2.168 ( -0.308 0.000 3.026) 3.042 2.273 ( 9.211 0.000 -9.904) 13.526 2.425 ( -7.988 0.000 3.208) 8.608 2.454 ( 1.973 0.000 -1.560) 2.515 2.560 ( -4.074 0.000 9.830) 10.641 2.687 ( -1.939 0.000 1.002) 2.183 2.779 ( -2.825 0.000 6.547) 7.130 2.813 ( -3.492 0.000 -13.466) 13.912 2.814 ( 2.298 0.000 -4.976) 5.481 2.866 ( 0.340 0.000 5.755) 5.765 2.954 ( 10.112 0.000 -1.293) 10.194 3.024 ( 5.602 0.000 -2.568) 6.163 3.164 ( 2.191 0.000 -1.996) 2.964 3.185 ( -1.467 0.000 -5.493) 5.686 3.240 ( 2.593 0.000 -3.101) 4.043 3.258 ( -6.909 0.000 2.224) 7.258 3.299 ( 3.964 0.000 -5.920) 7.125 3.324 ( -12.227 0.000 5.412) 13.371 3.409 ( 3.486 0.000 -1.049) 3.640 3.548 ( -5.647 0.000 6.774) 8.819 3.573 ( 0.036 0.000 8.325) 8.325 3.622 ( 4.712 0.000 2.941) 5.555 3.783 ( -10.992 0.000 3.762) 11.618 3.857 ( 2.801 0.000 -7.725) 8.217 3.955 ( -1.100 0.000 4.134) 4.278 3.970 ( -3.383 0.000 -1.323) 3.632 4.072 ( 5.838 0.000 2.392) 6.309 4.152 ( -1.119 0.000 0.268) 1.150 4.225 ( -2.594 0.000 4.317) 5.037 4.237 ( 5.438 0.000 -10.242) 11.596 4.359 ( -1.633 0.000 2.856) 3.290 4.370 ( -1.681 0.000 2.649) 3.138 4.425 ( 1.834 0.000 5.483) 5.782 4.514 ( 2.634 0.000 -4.309) 5.051 4.647 ( -1.718 0.000 -3.817) 4.186 4.678 ( 4.699 0.000 -0.229) 4.705 4.724 ( 1.807 0.000 2.805) 3.336 4.785 ( -0.857 0.000 -7.727) 7.774 4.843 ( 1.111 0.000 -5.222) 5.339 4.858 ( -5.236 0.000 4.878) 7.156 5.061 ( 1.675 0.000 3.863) 4.211 5.081 ( 2.549 0.000 8.192) 8.579 5.230 ( -0.144 0.000 0.013) 0.145 5.267 ( -2.003 0.000 -1.425) 2.458 5.293 ( 1.630 0.000 0.651) 1.755 5.342 ( 0.587 0.000 -4.080) 4.122 5.474 ( -2.602 0.000 2.026) 3.298 5.495 ( 0.674 0.000 -2.960) 3.036 5.657 ( 5.928 0.000 2.174) 6.314 5.729 ( -2.392 0.000 4.487) 5.084 5.907 ( -0.004 0.000 4.292) 4.292 5.975 ( 0.878 0.000 -0.326) 0.937 5.987 ( 1.951 0.000 -1.133) 2.256 6.029 ( -1.854 0.000 -1.867) 2.631 6.058 ( 0.536 0.000 0.106) 0.547 6.173 ( -3.368 0.000 -6.179) 7.037 6.395 ( 6.726 0.000 -0.057) 6.726 6.417 ( -1.337 0.000 0.811) 1.564 6.533 ( -1.670 0.000 3.127) 3.546 6.562 ( 1.986 0.000 -2.910) 3.523 6.644 ( -6.435 0.000 10.080) 11.959 6.724 ( 1.572 0.000 -4.782) 5.034 8.229 ( 2.684 0.000 2.164) 3.448 8.464 ( -5.497 0.000 -8.788) 10.365 8.693 ( -3.325 0.000 10.558) 11.069 8.803 ( 11.028 0.000 -3.080) 11.450 9.057 ( -0.301 0.000 1.267) 1.303 9.216 ( -4.746 0.000 -7.279) 8.690 9.311 ( -7.156 0.000 8.852) 11.382 9.330 ( 9.461 0.000 -4.477) 10.467 9.549 ( 1.322 0.000 3.509) 3.750 9.691 ( -0.284 0.000 -5.795) 5.802 9.754 ( 3.380 0.000 -0.432) 3.408 9.841 ( -3.636 0.000 3.282) 4.898 10.015 ( 1.058 0.000 -3.558) 3.712 10.019 ( -3.955 0.000 -2.302) 4.576 10.122 ( 1.116 0.000 3.918) 4.074 10.164 ( -2.273 0.000 1.464) 2.704 10.338 ( 2.153 0.000 1.558) 2.657 10.377 ( 0.274 0.000 1.186) 1.217 10.466 ( -2.963 0.000 -0.857) 3.084 10.523 ( -0.605 0.000 -4.917) 4.954 19.525 ( -1.644 0.000 2.091) 2.660 19.576 ( 0.389 0.000 -3.087) 3.111 19.725 ( 0.003 0.000 4.404) 4.404 19.960 ( -7.082 0.000 -5.459) 8.942 20.229 ( 5.527 0.000 -2.524) 6.076 20.330 ( -4.328 0.000 -3.589) 5.623 20.503 ( 0.158 0.000 6.624) 6.626 20.714 ( 6.519 0.000 -8.011) 10.328 21.016 ( -6.447 0.000 9.969) 11.871 21.263 ( -1.043 0.000 -6.467) 6.551 21.729 ( 0.159 0.000 1.720) 1.727 21.757 ( -0.183 0.000 1.638) 1.648 21.921 ( 1.663 0.000 1.513) 2.248 21.962 ( 0.313 0.000 0.022) 0.314 22.230 ( 0.125 0.000 7.761) 7.762 22.377 ( 5.189 0.000 -6.473) 8.296 ======================= Grid point 93 (44/65) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -17.343 0.000 17.376) 24.550 1.043 ( -7.784 0.000 15.719) 17.541 1.168 ( -6.418 0.000 7.284) 9.708 1.417 ( -1.454 0.000 -14.002) 14.077 1.541 ( 15.665 0.000 -14.128) 21.095 1.621 ( 9.230 0.000 -13.387) 16.260 1.642 ( -7.265 0.000 4.786) 8.699 1.696 ( -0.040 0.000 -1.334) 1.335 1.846 ( -1.011 0.000 -3.541) 3.682 1.896 ( 2.499 0.000 4.386) 5.048 2.021 ( -25.549 0.000 11.054) 27.837 2.259 ( -2.495 0.000 -2.116) 3.271 2.362 ( 7.483 0.000 5.836) 9.490 2.561 ( 5.019 0.000 -6.174) 7.957 2.584 ( -1.326 0.000 0.304) 1.361 2.625 ( -3.394 0.000 4.758) 5.845 2.671 ( -1.237 0.000 4.209) 4.387 2.692 ( -1.000 0.000 -4.368) 4.481 2.930 ( 2.208 0.000 4.791) 5.275 2.938 ( 3.435 0.000 -5.540) 6.518 3.050 ( -1.224 0.000 -4.054) 4.235 3.059 ( -6.837 0.000 -3.053) 7.488 3.131 ( -1.830 0.000 -0.952) 2.063 3.140 ( 5.426 0.000 -1.328) 5.587 3.153 ( 3.691 0.000 -4.637) 5.927 3.248 ( 2.391 0.000 0.566) 2.457 3.331 ( 8.139 0.000 -5.306) 9.716 3.443 ( 1.504 0.000 -3.107) 3.452 3.458 ( 9.101 0.000 -6.048) 10.927 3.543 ( -7.097 0.000 11.771) 13.745 3.572 ( 7.355 0.000 2.730) 7.845 3.728 ( 3.655 0.000 -3.109) 4.799 3.739 ( -0.367 0.000 3.623) 3.642 3.838 ( 1.767 0.000 -1.872) 2.574 3.966 ( 1.006 0.000 4.672) 4.779 3.975 ( 1.272 0.000 0.419) 1.340 4.085 ( -5.735 0.000 0.205) 5.739 4.135 ( -6.785 0.000 -2.238) 7.144 4.194 ( 2.885 0.000 3.479) 4.519 4.239 ( 3.898 0.000 -8.719) 9.551 4.349 ( -2.469 0.000 6.038) 6.523 4.408 ( 5.730 0.000 0.762) 5.780 4.512 ( 2.400 0.000 0.913) 2.568 4.525 ( -0.810 0.000 -2.349) 2.484 4.606 ( 1.090 0.000 -0.722) 1.307 4.607 ( -0.901 0.000 -5.481) 5.554 4.724 ( -4.745 0.000 -0.447) 4.766 4.776 ( 0.944 0.000 -2.037) 2.245 4.778 ( -4.156 0.000 2.841) 5.034 4.913 ( 4.397 0.000 -0.535) 4.429 5.121 ( -1.247 0.000 7.288) 7.394 5.134 ( -3.178 0.000 2.626) 4.123 5.203 ( -2.817 0.000 -3.081) 4.175 5.204 ( -1.743 0.000 1.735) 2.460 5.296 ( -2.193 0.000 -1.451) 2.630 5.338 ( 2.829 0.000 -1.480) 3.193 5.458 ( 0.680 0.000 0.474) 0.829 5.520 ( 3.395 0.000 -2.442) 4.182 5.690 ( -4.223 0.000 -0.654) 4.274 5.774 ( 4.041 0.000 0.977) 4.157 5.927 ( -1.430 0.000 5.782) 5.957 5.980 ( -1.303 0.000 -1.723) 2.161 5.999 ( -0.241 0.000 -3.008) 3.018 6.006 ( 2.826 0.000 1.060) 3.018 6.062 ( -0.055 0.000 1.005) 1.006 6.082 ( -2.299 0.000 -2.814) 3.634 6.365 ( -8.656 0.000 3.652) 9.395 6.399 ( -1.803 0.000 2.416) 3.015 6.512 ( -0.624 0.000 2.190) 2.277 6.600 ( 1.953 0.000 -3.256) 3.797 6.611 ( -2.693 0.000 5.855) 6.445 6.825 ( 10.860 0.000 -7.053) 12.949 8.310 ( -4.233 0.000 -5.984) 7.330 8.321 ( 4.105 0.000 5.206) 6.630 8.679 ( -7.391 0.000 9.487) 12.026 8.883 ( 1.970 0.000 -7.660) 7.909 9.102 ( 3.641 0.000 3.092) 4.777 9.129 ( 1.565 0.000 -5.366) 5.589 9.220 ( -7.269 0.000 5.926) 9.378 9.472 ( 7.495 0.000 -6.251) 9.759 9.586 ( -0.912 0.000 5.050) 5.132 9.607 ( -2.270 0.000 -2.799) 3.604 9.739 ( -7.663 0.000 1.006) 7.729 9.815 ( -0.377 0.000 2.147) 2.180 9.997 ( 2.572 0.000 0.459) 2.612 10.000 ( 0.345 0.000 -0.859) 0.926 10.164 ( 0.896 0.000 0.442) 0.999 10.193 ( 4.603 0.000 -0.730) 4.660 10.381 ( -0.258 0.000 -1.547) 1.569 10.416 ( 0.509 0.000 4.973) 4.999 10.423 ( 2.301 0.000 -4.026) 4.637 10.489 ( 1.127 0.000 -3.070) 3.271 19.515 ( -1.124 0.000 2.731) 2.953 19.567 ( 0.995 0.000 -2.275) 2.483 19.822 ( 5.819 0.000 8.026) 9.913 19.822 ( -2.631 0.000 -5.109) 5.746 20.220 ( -5.715 0.000 -1.732) 5.972 20.287 ( 1.913 0.000 0.511) 1.980 20.524 ( -4.383 0.000 9.417) 10.387 20.655 ( -4.035 0.000 -7.683) 8.678 21.109 ( 5.470 0.000 8.558) 10.157 21.221 ( 3.038 0.000 -9.119) 9.611 21.748 ( 0.423 0.000 1.453) 1.513 21.759 ( 0.207 0.000 -0.696) 0.726 21.947 ( -1.260 0.000 -0.477) 1.347 21.948 ( 0.233 0.000 1.630) 1.647 22.254 ( -3.248 0.000 5.796) 6.644 22.395 ( 1.558 0.000 -8.373) 8.517 ======================= Grid point 94 (45/65) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -0.819 0.000 27.336) 27.348 0.845 ( -18.112 0.000 18.620) 25.976 1.245 ( -2.817 0.000 13.674) 13.961 1.291 ( 1.219 0.000 -18.185) 18.226 1.453 ( -19.406 0.000 19.324) 27.386 1.543 ( -2.575 0.000 -4.035) 4.787 1.720 ( 6.956 0.000 -6.558) 9.560 1.725 ( -1.654 0.000 5.643) 5.880 1.807 ( 3.267 0.000 -9.520) 10.065 1.883 ( 11.567 0.000 -1.281) 11.637 2.016 ( 3.355 0.000 7.454) 8.175 2.211 ( -0.177 0.000 -1.437) 1.448 2.461 ( -8.119 0.000 -1.173) 8.203 2.515 ( 7.210 0.000 -1.223) 7.313 2.563 ( -7.077 0.000 4.196) 8.227 2.636 ( 5.386 0.000 -3.087) 6.208 2.733 ( -0.482 0.000 4.951) 4.975 2.748 ( -0.154 0.000 5.984) 5.986 2.871 ( -5.067 0.000 -4.453) 6.746 2.900 ( 0.541 0.000 -8.908) 8.924 2.960 ( 1.474 0.000 -8.733) 8.856 3.013 ( 2.283 0.000 -0.896) 2.452 3.080 ( -2.185 0.000 6.249) 6.620 3.215 ( 2.368 0.000 -1.599) 2.857 3.279 ( 3.849 0.000 -3.044) 4.907 3.304 ( 3.245 0.000 -3.630) 4.869 3.373 ( -0.240 0.000 3.058) 3.067 3.464 ( -4.154 0.000 8.603) 9.553 3.498 ( 12.987 0.000 -4.379) 13.705 3.626 ( -1.228 0.000 -5.141) 5.286 3.677 ( -4.605 0.000 -4.170) 6.212 3.692 ( -1.433 0.000 -3.740) 4.005 3.839 ( 22.288 0.000 -4.664) 22.771 3.955 ( 4.562 0.000 2.263) 5.092 3.955 ( -8.192 0.000 4.332) 9.267 4.007 ( -2.742 0.000 0.952) 2.902 4.008 ( 2.711 0.000 1.244) 2.982 4.046 ( 2.863 0.000 0.068) 2.864 4.238 ( 2.691 0.000 -1.695) 3.180 4.271 ( 0.189 0.000 -5.922) 5.925 4.330 ( -7.001 0.000 8.650) 11.128 4.423 ( -3.596 0.000 -2.016) 4.122 4.438 ( -0.100 0.000 -4.748) 4.749 4.459 ( -0.378 0.000 -8.612) 8.620 4.605 ( -4.962 0.000 -5.887) 7.699 4.675 ( 4.244 0.000 3.129) 5.273 4.721 ( -3.197 0.000 4.933) 5.878 4.759 ( 0.429 0.000 -3.783) 3.807 4.792 ( 8.978 0.000 8.108) 12.097 4.960 ( -1.435 0.000 -1.068) 1.789 5.056 ( -1.676 0.000 -1.546) 2.280 5.075 ( -3.823 0.000 -0.867) 3.920 5.155 ( 0.035 0.000 1.358) 1.358 5.176 ( -4.939 0.000 5.381) 7.304 5.249 ( -3.082 0.000 1.084) 3.267 5.363 ( 1.333 0.000 -3.136) 3.408 5.501 ( 0.504 0.000 1.876) 1.942 5.552 ( 1.587 0.000 -2.646) 3.086 5.594 ( 0.089 0.000 -0.911) 0.915 5.817 ( 1.216 0.000 -1.823) 2.191 5.919 ( -5.257 0.000 -0.842) 5.323 5.944 ( -0.626 0.000 3.264) 3.323 5.952 ( -0.051 0.000 -1.977) 1.978 6.022 ( -1.800 0.000 0.193) 1.810 6.067 ( 1.076 0.000 -0.876) 1.387 6.116 ( -8.320 0.000 5.237) 9.831 6.222 ( 3.313 0.000 4.600) 5.669 6.408 ( 0.044 0.000 1.264) 1.265 6.530 ( -1.457 0.000 2.009) 2.482 6.613 ( 2.224 0.000 -2.906) 3.659 6.625 ( -0.555 0.000 7.229) 7.250 6.927 ( 6.841 0.000 -12.285) 14.062 8.229 ( -0.092 0.000 -3.395) 3.396 8.438 ( -0.633 0.000 5.953) 5.986 8.518 ( -10.635 0.000 5.111) 11.799 8.844 ( 1.031 0.000 -7.784) 7.852 9.150 ( 4.036 0.000 -4.770) 6.248 9.154 ( -2.572 0.000 2.902) 3.877 9.222 ( 3.583 0.000 5.521) 6.582 9.422 ( -5.350 0.000 -3.202) 6.235 9.543 ( -7.695 0.000 4.165) 8.750 9.652 ( 6.387 0.000 -8.367) 10.526 9.669 ( -0.810 0.000 6.993) 7.040 9.804 ( -1.033 0.000 6.397) 6.480 10.045 ( 0.920 0.000 -3.664) 3.778 10.064 ( 4.606 0.000 2.513) 5.247 10.178 ( 0.867 0.000 -0.889) 1.242 10.262 ( 3.487 0.000 -1.625) 3.847 10.368 ( 1.518 0.000 -3.150) 3.497 10.393 ( -1.373 0.000 -0.564) 1.484 10.498 ( 3.220 0.000 0.861) 3.334 10.518 ( 2.408 0.000 -0.333) 2.431 19.523 ( -0.663 0.000 3.597) 3.658 19.579 ( 1.502 0.000 -1.600) 2.195 19.797 ( 3.254 0.000 -2.559) 4.140 20.016 ( -2.381 0.000 3.672) 4.377 20.124 ( 6.260 0.000 2.243) 6.650 20.314 ( -1.816 0.000 5.238) 5.544 20.507 ( -3.299 0.000 8.449) 9.070 20.530 ( -2.508 0.000 -5.613) 6.147 21.253 ( 6.810 0.000 -6.411) 9.353 21.263 ( 4.705 0.000 4.527) 6.529 21.756 ( 0.440 0.000 -2.089) 2.135 21.765 ( 0.392 0.000 1.174) 1.237 21.890 ( -4.087 0.000 -2.904) 5.014 21.932 ( -3.851 0.000 -1.195) 4.032 22.219 ( -3.464 0.000 4.512) 5.689 22.311 ( -2.039 0.000 -7.497) 7.770 ======================= Grid point 95 (46/65) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 3.195 15.339 16.231) 22.560 1.119 ( -6.059 12.980 13.528) 19.703 1.286 ( 2.528 0.624 13.279) 13.532 1.340 ( -2.325 13.418 -9.921) 16.849 1.560 ( -1.775 13.488 4.886) 14.455 1.570 ( 6.311 4.972 -12.828) 15.136 1.853 ( 1.023 7.919 8.671) 11.787 1.886 ( 0.917 3.148 -3.340) 4.681 1.936 ( 2.766 11.838 0.295) 12.161 2.017 ( 2.477 -0.581 -1.158) 2.796 2.061 ( -6.358 -0.349 4.034) 7.538 2.199 ( 2.425 -0.136 -12.109) 12.350 2.401 ( 10.306 1.421 2.165) 10.627 2.464 ( -7.594 1.842 -0.354) 7.823 2.618 ( -0.824 -0.071 5.784) 5.843 2.655 ( -0.761 -2.534 2.190) 3.435 2.693 ( 0.467 1.376 -2.035) 2.501 2.743 ( -0.233 3.891 2.166) 4.459 2.839 ( 3.148 -1.745 -2.156) 4.196 2.852 ( -0.842 0.586 -7.705) 7.773 2.935 ( -2.993 -0.582 -7.521) 8.116 2.995 ( 0.797 1.150 -5.712) 5.881 3.138 ( 0.146 -0.526 1.076) 1.207 3.235 ( -1.023 -1.039 -4.038) 4.293 3.261 ( 1.497 2.390 1.192) 3.062 3.332 ( 3.476 0.126 -1.417) 3.756 3.409 ( -0.292 2.325 7.827) 8.170 3.463 ( -0.942 -2.479 2.297) 3.508 3.502 ( -2.661 -0.658 0.615) 2.809 3.620 ( 2.102 -1.272 -5.020) 5.589 3.665 ( -0.709 3.353 1.263) 3.652 3.723 ( 0.889 5.153 -2.617) 5.847 3.893 ( 0.530 -1.874 4.777) 5.159 3.949 ( -0.086 -0.662 1.591) 1.726 4.013 ( -3.402 -1.218 5.434) 6.526 4.049 ( 2.324 -1.517 4.306) 5.123 4.071 ( 1.124 1.264 1.146) 2.043 4.149 ( -2.838 -0.128 -0.522) 2.889 4.189 ( -1.844 -0.195 -6.814) 7.062 4.225 ( -8.916 0.006 0.833) 8.955 4.231 ( -2.660 1.067 -7.881) 8.386 4.293 ( 9.423 1.066 -7.217) 11.917 4.379 ( 0.455 -4.320 2.180) 4.860 4.484 ( 4.547 -1.468 -4.972) 6.896 4.590 ( 4.093 -0.974 1.749) 4.556 4.620 ( -6.821 -3.350 0.078) 7.599 4.692 ( -0.101 -1.561 2.052) 2.580 4.762 ( -1.273 -1.847 -2.681) 3.495 4.843 ( 4.209 0.359 -0.035) 4.225 4.868 ( -2.753 -0.645 -2.851) 4.016 5.022 ( 0.711 -2.705 3.560) 4.527 5.090 ( -0.557 -3.073 -0.339) 3.141 5.100 ( -4.760 -1.664 1.144) 5.170 5.147 ( 5.612 -5.367 -2.209) 8.073 5.238 ( -0.172 -0.449 4.636) 4.661 5.306 ( 0.596 -2.317 -1.539) 2.845 5.478 ( -2.170 0.016 3.291) 3.942 5.560 ( 1.965 0.763 -4.412) 4.890 5.715 ( 5.392 -3.210 2.996) 6.953 5.785 ( -0.054 -2.523 5.607) 6.149 5.792 ( -5.130 -1.349 -4.070) 6.686 5.848 ( -4.614 -1.557 -0.061) 4.870 5.979 ( 1.080 -1.333 1.917) 2.573 5.987 ( -0.918 0.362 4.164) 4.279 6.030 ( 0.552 0.060 -1.799) 1.882 6.068 ( 1.321 -0.537 -2.408) 2.798 6.307 ( -2.317 -3.650 2.712) 5.104 6.319 ( 3.305 -3.662 2.561) 5.559 6.584 ( -5.121 -1.945 3.894) 6.721 6.603 ( 1.328 4.477 0.274) 4.678 6.680 ( 0.714 0.768 6.919) 6.998 6.938 ( 1.011 -0.679 -14.951) 15.000 8.239 ( -6.777 -0.734 1.580) 6.998 8.275 ( 7.032 -0.644 -1.899) 7.312 8.563 ( 1.428 -2.579 9.122) 9.587 8.756 ( -0.793 -3.653 -9.435) 10.149 9.144 ( -0.717 -0.565 2.479) 2.642 9.194 ( 1.297 0.671 -1.817) 2.331 9.327 ( 1.448 3.321 2.916) 4.651 9.363 ( -1.221 1.050 -0.701) 1.756 9.401 ( -3.363 -5.384 5.444) 8.363 9.576 ( 0.676 -3.531 -9.315) 9.985 9.803 ( 3.816 3.494 7.282) 8.933 9.909 ( 2.366 -0.293 5.404) 5.907 9.917 ( -3.830 -3.341 -2.585) 5.702 10.035 ( -0.824 -3.673 -5.969) 7.057 10.218 ( -0.527 0.435 1.948) 2.064 10.264 ( -0.025 1.233 -1.957) 2.313 10.372 ( 2.730 2.603 1.876) 4.213 10.406 ( -3.537 3.536 -0.246) 5.008 10.633 ( -1.504 6.396 0.795) 6.618 10.670 ( 3.581 7.026 -3.214) 8.516 19.562 ( -0.532 2.695 3.721) 4.625 19.623 ( 0.590 3.340 -2.266) 4.079 19.863 ( -2.081 0.423 3.688) 4.256 19.941 ( 1.989 3.273 -3.412) 5.129 20.250 ( -6.546 -1.134 5.149) 8.406 20.323 ( 7.216 -0.252 -1.167) 7.314 20.503 ( 4.167 -0.581 0.561) 4.245 20.541 ( -1.854 1.162 -4.129) 4.673 21.278 ( 1.446 -4.579 2.810) 5.564 21.358 ( -0.851 -2.089 -4.740) 5.249 21.670 ( -3.842 -3.551 0.983) 5.323 21.696 ( -0.572 -4.650 -1.493) 4.917 21.811 ( -0.732 1.076 0.828) 1.543 21.837 ( 0.185 0.164 -1.701) 1.719 22.210 ( -2.968 0.883 5.218) 6.068 22.303 ( 4.814 0.929 -3.400) 5.966 ======================= Grid point 96 (47/65) ======================= q-point: ( 0.20 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 0.283 16.873 7.998) 18.675 1.185 ( 2.184 2.883 12.641) 13.148 1.289 ( 5.455 9.572 -8.191) 13.729 1.459 ( 7.540 6.009 -0.710) 9.668 1.492 ( -6.167 6.371 0.109) 8.868 1.587 ( 1.425 7.545 -11.668) 13.968 1.863 ( -2.520 9.019 -1.646) 9.508 1.879 ( 0.872 -0.836 -6.960) 7.065 1.975 ( -1.373 8.071 -2.292) 8.502 2.018 ( 0.788 7.262 1.488) 7.454 2.087 ( 7.314 -0.655 8.642) 11.341 2.208 ( 4.177 3.672 -6.219) 8.343 2.360 ( 2.578 2.078 -4.379) 5.490 2.498 ( -7.693 -5.211 2.709) 9.678 2.599 ( -3.754 -1.407 -2.645) 4.802 2.634 ( -4.920 -0.794 3.618) 6.159 2.691 ( 2.886 -4.895 5.090) 7.629 2.801 ( 2.862 1.394 2.800) 4.240 2.823 ( 4.029 2.070 -0.351) 4.543 2.848 ( 2.455 1.501 -2.533) 3.834 2.939 ( 7.394 1.880 -6.008) 9.711 3.016 ( 3.047 5.802 -2.795) 7.125 3.172 ( -0.208 -2.174 0.293) 2.204 3.200 ( 3.116 2.404 -1.602) 4.250 3.237 ( -2.949 -1.941 -1.489) 3.832 3.339 ( -3.063 4.792 -2.384) 6.167 3.407 ( -4.368 1.046 0.692) 4.545 3.439 ( 0.242 0.638 -0.060) 0.685 3.485 ( -0.383 0.948 -0.936) 1.386 3.576 ( -3.769 1.241 2.700) 4.800 3.670 ( -2.865 6.557 1.820) 7.384 3.703 ( -0.367 3.888 -1.260) 4.103 3.827 ( -13.301 -0.080 0.579) 13.314 3.931 ( 1.374 -1.429 1.992) 2.810 3.972 ( -3.521 0.086 1.253) 3.738 4.038 ( -2.863 -2.999 -0.865) 4.236 4.059 ( -1.829 1.774 3.669) 4.467 4.115 ( -2.318 0.470 0.326) 2.388 4.156 ( 1.733 -1.345 4.563) 5.063 4.212 ( 3.603 -1.104 -7.165) 8.095 4.255 ( 6.891 -0.294 3.509) 7.738 4.387 ( -1.974 -1.548 0.174) 2.515 4.412 ( 0.917 -3.912 -3.070) 5.056 4.439 ( -0.910 -1.730 -1.030) 2.209 4.530 ( 4.768 -1.674 -5.146) 7.212 4.671 ( 0.432 -4.189 3.048) 5.198 4.682 ( -2.077 -3.753 1.860) 4.676 4.724 ( 0.227 -1.220 1.920) 2.286 4.819 ( -0.904 -1.761 -3.042) 3.629 4.943 ( 2.873 2.070 0.435) 3.567 4.980 ( -2.635 -2.957 2.216) 4.538 5.070 ( -0.464 -2.364 -3.012) 3.857 5.114 ( 2.413 -5.599 0.650) 6.131 5.233 ( -0.028 -4.428 -0.070) 4.428 5.271 ( 3.312 -3.264 0.113) 4.652 5.293 ( -0.454 -0.275 -1.380) 1.479 5.477 ( -0.831 -0.962 3.438) 3.666 5.564 ( 2.006 1.459 -2.851) 3.779 5.612 ( -5.999 1.369 -1.483) 6.330 5.715 ( -2.892 -2.224 4.867) 6.083 5.838 ( 1.261 -2.557 0.667) 2.928 5.937 ( 3.584 -3.568 2.362) 5.582 5.973 ( -0.213 0.026 -0.026) 0.216 6.016 ( 0.326 -2.100 1.566) 2.640 6.057 ( 0.561 0.345 -1.915) 2.025 6.135 ( 9.911 -1.203 -0.504) 9.997 6.222 ( -4.526 -4.009 -1.170) 6.158 6.435 ( 4.421 -2.009 -0.208) 4.860 6.496 ( -6.915 -1.551 4.436) 8.361 6.589 ( -1.799 2.633 0.453) 3.221 6.737 ( -1.777 1.685 8.270) 8.625 6.852 ( 0.571 2.352 -9.584) 9.885 8.191 ( 0.111 0.423 0.625) 0.763 8.448 ( 9.895 -4.510 -0.559) 10.889 8.636 ( -0.872 -4.241 -3.684) 5.685 8.645 ( -1.950 -2.593 2.443) 4.061 9.103 ( -3.522 1.109 1.576) 4.015 9.221 ( 4.231 -0.158 -2.902) 5.133 9.343 ( -0.774 2.140 4.098) 4.687 9.375 ( -1.284 0.758 0.599) 1.607 9.466 ( 2.605 -0.928 1.247) 3.034 9.531 ( 2.884 -7.555 -2.505) 8.465 9.787 ( -5.548 -1.745 -4.432) 7.312 9.912 ( 1.168 4.483 6.293) 7.814 9.957 ( 0.548 -5.278 -2.042) 5.686 10.028 ( 3.575 -0.019 -0.914) 3.690 10.183 ( -4.104 1.191 1.358) 4.484 10.239 ( -1.244 3.494 -1.145) 3.881 10.338 ( -2.199 2.752 -0.632) 3.579 10.437 ( 1.345 5.034 2.916) 5.971 10.580 ( -3.128 3.521 -1.554) 4.960 10.655 ( -2.315 7.454 -2.946) 8.343 19.571 ( -1.335 3.371 2.925) 4.659 19.612 ( 0.366 2.424 -2.811) 3.730 19.775 ( -4.464 3.161 1.827) 5.767 20.071 ( 6.897 -2.707 0.204) 7.412 20.130 ( -6.163 0.215 -1.742) 6.408 20.411 ( -1.906 -0.532 3.450) 3.977 20.456 ( 2.210 -0.649 -8.316) 8.629 20.619 ( 6.402 1.883 1.162) 6.774 21.118 ( -10.602 -4.751 0.452) 11.626 21.397 ( -0.459 3.928 -2.071) 4.464 21.685 ( 1.981 -3.844 3.882) 5.811 21.718 ( 1.952 -4.079 4.264) 6.215 21.800 ( 1.471 -2.538 -1.853) 3.470 21.890 ( 4.167 -0.953 1.418) 4.504 22.127 ( -5.970 -2.092 1.948) 6.619 22.397 ( 5.622 3.317 -4.733) 8.063 ======================= Grid point 97 (48/65) ======================= q-point: ( 0.40 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -14.039 2.735 7.687) 16.238 1.171 ( 1.461 13.855 -0.027) 13.932 1.349 ( -6.371 7.242 3.533) 10.272 1.373 ( 8.801 2.786 -11.709) 14.911 1.587 ( 10.521 11.665 -11.969) 19.749 1.636 ( 5.690 4.315 8.319) 10.964 1.772 ( -4.023 11.747 -5.302) 13.502 1.860 ( -5.002 11.282 -3.943) 12.956 1.871 ( 2.132 1.101 -3.088) 3.911 1.998 ( -2.898 7.059 -2.630) 8.072 2.217 ( 0.927 2.702 1.695) 3.322 2.265 ( -0.492 -0.035 -2.086) 2.143 2.394 ( -4.138 -1.716 -2.869) 5.320 2.422 ( 6.500 -2.298 -0.993) 6.966 2.572 ( 3.854 -4.928 1.313) 6.393 2.606 ( -0.755 1.164 8.533) 8.646 2.783 ( 1.312 -0.280 3.856) 4.083 2.793 ( -1.706 1.713 -2.625) 3.569 2.846 ( -0.637 -1.059 -1.956) 2.314 2.930 ( -7.017 4.146 -3.111) 8.724 2.975 ( 7.546 0.733 -4.611) 8.874 3.060 ( 5.370 3.378 -0.432) 6.358 3.185 ( 3.440 2.429 -1.647) 4.522 3.228 ( -1.350 0.794 1.526) 2.187 3.238 ( -0.989 3.511 -4.510) 5.801 3.286 ( 0.017 3.010 -0.051) 3.010 3.349 ( 5.496 5.118 -2.318) 7.860 3.408 ( -6.739 4.317 -0.133) 8.004 3.440 ( -5.507 6.412 -0.328) 8.458 3.515 ( 0.836 -1.947 6.200) 6.552 3.535 ( -3.690 -1.250 -0.517) 3.930 3.693 ( -0.454 4.307 5.641) 7.112 3.763 ( -2.707 -0.009 3.979) 4.813 3.902 ( -3.635 2.594 -3.484) 5.664 3.977 ( 0.392 1.308 1.140) 1.779 3.979 ( -2.002 0.937 1.088) 2.464 4.045 ( 3.905 -2.594 1.191) 4.837 4.107 ( -2.457 -4.276 -0.639) 4.972 4.191 ( -0.851 -3.244 0.896) 3.471 4.223 ( 2.994 -1.488 -7.754) 8.444 4.282 ( -2.251 -3.852 3.107) 5.437 4.385 ( -1.482 -1.895 -2.061) 3.168 4.400 ( 3.027 -2.839 6.234) 7.489 4.485 ( 2.334 -3.022 -2.367) 4.493 4.604 ( -1.231 -3.927 -3.257) 5.248 4.633 ( 2.434 -4.023 -0.849) 4.779 4.724 ( 0.671 -2.644 3.646) 4.554 4.758 ( 0.951 0.111 -0.180) 0.975 4.807 ( 2.397 -3.611 -3.730) 5.718 4.859 ( -4.044 -0.307 -3.060) 5.080 5.006 ( -0.071 -3.131 3.020) 4.351 5.078 ( 0.658 -3.246 2.726) 4.290 5.152 ( 2.466 -4.188 -0.543) 4.890 5.201 ( -2.482 -6.850 -0.355) 7.294 5.282 ( -0.322 -1.734 0.332) 1.794 5.308 ( 0.640 -2.557 -1.219) 2.903 5.493 ( -0.374 1.732 2.635) 3.175 5.543 ( -0.020 3.877 -1.259) 4.076 5.644 ( 4.959 -1.287 2.073) 5.527 5.705 ( -1.838 -1.439 4.251) 4.850 5.861 ( -0.719 -4.197 2.685) 5.034 5.958 ( 0.073 -4.797 -1.599) 5.057 5.983 ( 1.090 0.528 -0.030) 1.211 6.027 ( -0.810 -2.278 0.329) 2.439 6.061 ( 1.335 1.112 -0.783) 1.905 6.115 ( -3.669 -1.631 -3.913) 5.606 6.322 ( 7.419 -4.207 -0.428) 8.540 6.401 ( -6.397 -2.871 3.708) 7.931 6.480 ( 1.146 -1.554 1.001) 2.175 6.568 ( -0.941 2.893 -2.036) 3.661 6.744 ( -1.517 3.410 5.950) 7.023 6.829 ( 1.887 5.352 -3.210) 6.520 8.229 ( 2.600 0.121 1.901) 3.223 8.440 ( -5.178 -2.301 -7.196) 9.159 8.618 ( -1.140 -6.444 6.346) 9.116 8.729 ( 5.863 -7.327 -1.598) 9.519 9.091 ( 1.145 3.187 2.130) 4.000 9.274 ( -3.829 1.259 -2.178) 4.582 9.298 ( -3.406 3.180 0.113) 4.661 9.345 ( 5.622 1.307 -2.586) 6.325 9.508 ( 1.869 -5.256 2.403) 6.074 9.608 ( -0.758 -4.722 -0.717) 4.836 9.704 ( 1.393 -3.928 3.034) 5.155 9.919 ( -2.419 2.659 -0.911) 3.708 9.963 ( 0.074 -2.820 -0.104) 2.823 10.052 ( 0.804 3.454 -6.635) 7.524 10.140 ( -1.398 2.911 4.022) 5.158 10.210 ( 0.199 2.814 -1.662) 3.274 10.333 ( 0.718 2.122 3.148) 3.864 10.465 ( -0.283 6.489 1.189) 6.603 10.510 ( -2.016 2.603 -1.652) 3.683 10.583 ( -1.874 6.444 -2.835) 7.285 19.556 ( -2.004 3.139 2.194) 4.322 19.600 ( 0.740 2.454 -3.004) 3.949 19.754 ( 0.273 2.853 3.550) 4.562 19.961 ( -7.033 -0.103 -4.109) 8.146 20.194 ( 4.680 -3.336 -1.003) 5.835 20.314 ( -4.289 -1.897 -3.588) 5.905 20.516 ( 1.794 1.173 4.224) 4.737 20.718 ( 3.814 0.399 -7.537) 8.456 21.015 ( -2.113 0.174 10.807) 11.013 21.320 ( -2.836 5.340 -6.341) 8.762 21.719 ( 0.567 -1.077 1.589) 2.002 21.764 ( -0.519 0.643 1.310) 1.548 21.855 ( 2.763 -6.735 2.526) 7.706 21.977 ( -0.907 0.983 -0.276) 1.366 22.095 ( 3.320 -9.307 7.879) 12.638 22.417 ( 1.052 0.820 -7.755) 7.869 ======================= Grid point 98 (49/65) ======================= q-point: (-0.40 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -16.969 7.193 16.424) 24.687 1.134 ( -13.277 8.222 11.827) 19.590 1.329 ( 8.506 13.242 -4.532) 16.378 1.529 ( 11.893 3.911 -10.292) 16.207 1.594 ( -5.943 8.781 -3.798) 11.263 1.656 ( -1.696 7.997 -2.347) 8.506 1.762 ( -1.206 7.098 1.559) 7.367 1.787 ( 4.822 11.141 -6.089) 13.581 1.930 ( -0.833 8.485 -6.371) 10.643 1.939 ( 4.612 5.159 6.158) 9.263 2.106 ( -16.613 6.845 7.404) 19.434 2.283 ( -0.755 2.722 0.466) 2.863 2.340 ( 3.099 -1.771 2.179) 4.182 2.465 ( 2.407 -4.882 -6.861) 8.758 2.629 ( -3.977 1.882 3.106) 5.386 2.633 ( 1.058 -0.432 1.183) 1.645 2.681 ( -1.671 0.834 -0.522) 1.940 2.731 ( -2.041 3.119 0.907) 3.836 2.910 ( 3.376 -2.699 -2.797) 5.148 2.947 ( 2.989 1.159 2.963) 4.365 3.033 ( -4.956 0.856 -5.191) 7.228 3.063 ( 4.675 -1.002 0.676) 4.829 3.110 ( -5.406 1.379 -0.946) 5.659 3.196 ( -3.242 6.674 -0.938) 7.479 3.264 ( -0.675 4.449 0.957) 4.601 3.284 ( 4.665 3.929 -5.521) 8.227 3.348 ( 7.421 2.623 -1.901) 8.097 3.415 ( -1.766 -1.442 -1.757) 2.878 3.476 ( 0.800 -3.789 4.807) 6.173 3.527 ( 10.756 4.895 -4.736) 12.732 3.615 ( -1.309 1.768 3.631) 4.246 3.702 ( 0.865 0.713 -1.965) 2.263 3.804 ( 5.142 4.216 1.240) 6.765 3.873 ( 2.636 3.030 1.319) 4.228 3.963 ( -0.203 -0.093 1.376) 1.394 4.003 ( -0.067 2.389 3.952) 4.618 4.031 ( -4.224 -5.086 0.190) 6.613 4.099 ( -4.241 -3.684 2.384) 6.102 4.158 ( 1.268 -3.500 -4.184) 5.600 4.214 ( 3.573 -2.625 -4.235) 6.131 4.320 ( 2.362 -3.929 1.909) 4.966 4.367 ( 2.237 -2.994 -1.069) 3.887 4.460 ( -1.690 -5.747 -1.823) 6.261 4.489 ( 1.341 -2.628 1.385) 3.259 4.571 ( -2.460 -2.158 -2.109) 3.893 4.601 ( 2.022 -1.421 -1.206) 2.750 4.737 ( -2.624 -0.249 -0.372) 2.662 4.763 ( -2.692 -0.386 0.112) 2.722 4.793 ( 1.430 -0.022 -1.085) 1.795 4.867 ( 3.794 -4.515 -1.466) 6.077 5.027 ( -1.895 -4.008 3.820) 5.852 5.077 ( -1.046 -5.934 -0.063) 6.026 5.149 ( -1.805 -5.822 -0.574) 6.123 5.198 ( 1.423 -2.106 0.069) 2.543 5.279 ( -0.511 -1.607 1.227) 2.085 5.300 ( -0.202 -3.954 -1.302) 4.168 5.494 ( -1.001 3.651 2.493) 4.533 5.555 ( 1.926 2.465 -2.328) 3.900 5.663 ( -4.066 -2.140 0.289) 4.604 5.767 ( 4.640 -0.729 0.268) 4.704 5.860 ( -2.144 -5.997 5.577) 8.465 5.927 ( -0.938 -5.493 -2.493) 6.105 5.979 ( -2.532 -2.101 0.249) 3.300 6.027 ( 1.844 -0.578 0.789) 2.087 6.066 ( 0.258 2.165 -0.571) 2.254 6.074 ( 0.583 1.572 -1.257) 2.095 6.270 ( -10.093 -5.617 4.717) 12.476 6.414 ( 1.640 -4.334 1.775) 4.962 6.492 ( -1.060 4.017 0.474) 4.181 6.559 ( 3.069 0.570 -1.173) 3.334 6.716 ( -5.323 4.086 4.012) 7.818 6.915 ( 9.237 3.076 -6.704) 11.821 8.294 ( -2.956 -1.236 -2.749) 4.222 8.323 ( 3.085 0.023 2.133) 3.751 8.587 ( -8.008 -7.864 7.841) 13.692 8.795 ( 4.542 -7.913 -6.271) 11.071 9.118 ( -1.744 3.349 2.112) 4.327 9.208 ( -2.580 3.149 0.272) 4.080 9.228 ( -0.524 3.361 1.642) 3.778 9.454 ( 4.985 -1.814 -6.373) 8.292 9.529 ( -1.053 -4.550 1.771) 4.995 9.585 ( 2.517 -3.179 -0.719) 4.118 9.753 ( -5.409 -1.415 3.762) 6.739 9.840 ( -1.256 3.007 -0.054) 3.259 9.977 ( 1.710 -1.906 0.737) 2.664 9.999 ( -1.068 1.387 -3.075) 3.538 10.157 ( 0.855 -1.275 1.830) 2.388 10.223 ( 1.628 4.518 -1.929) 5.175 10.396 ( 1.022 2.890 3.288) 4.495 10.445 ( 2.598 1.486 -4.347) 5.278 10.495 ( -1.638 6.485 2.332) 7.084 10.572 ( 3.322 7.186 -2.511) 8.306 19.539 ( -1.450 2.433 2.674) 3.895 19.602 ( 1.773 3.497 -2.477) 4.637 19.818 ( -2.008 0.375 -0.490) 2.101 19.857 ( 4.546 2.423 3.515) 6.236 20.195 ( -4.831 -2.370 -0.787) 5.438 20.271 ( 2.190 -1.707 0.416) 2.808 20.553 ( -2.735 2.564 6.667) 7.649 20.652 ( -2.193 -0.387 -7.891) 8.199 21.160 ( 5.745 5.169 8.890) 11.780 21.227 ( 0.241 0.656 -8.707) 8.735 21.743 ( 0.618 -1.044 1.695) 2.084 21.750 ( -0.566 -0.976 -1.216) 1.659 21.909 ( -2.771 -3.182 -1.118) 4.365 21.935 ( 2.599 -1.504 3.253) 4.427 22.212 ( -2.642 -4.105 5.923) 7.676 22.336 ( -0.140 -5.400 -8.384) 9.973 ======================= Grid point 99 (50/65) ======================= q-point: (-0.20 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( -3.985 7.893 22.695) 24.356 1.028 ( -6.410 10.622 19.423) 23.047 1.365 ( -9.459 11.634 4.088) 15.542 1.470 ( -3.000 12.171 -7.390) 14.551 1.535 ( 4.364 1.933 -9.072) 10.251 1.650 ( -8.800 15.235 2.961) 17.841 1.761 ( 3.359 5.270 1.169) 6.358 1.844 ( 6.276 7.983 0.623) 10.174 1.891 ( 2.626 7.291 0.540) 7.768 1.943 ( -2.573 13.644 0.052) 13.884 2.097 ( 3.957 6.060 6.056) 9.437 2.229 ( -1.770 1.689 -1.631) 2.940 2.334 ( -2.031 -8.025 -5.195) 9.773 2.517 ( 5.498 -2.121 -3.859) 7.043 2.561 ( -2.728 0.324 3.902) 4.772 2.678 ( -0.121 1.746 -2.429) 2.994 2.719 ( -1.311 -0.255 4.547) 4.739 2.747 ( 2.014 -1.406 4.956) 5.531 2.858 ( -4.413 0.177 -6.355) 7.739 2.908 ( -0.280 -0.297 -2.620) 2.652 2.949 ( 0.126 0.170 -7.643) 7.646 3.065 ( -0.979 6.046 -3.384) 6.998 3.132 ( 1.662 4.414 7.546) 8.899 3.203 ( 2.969 -0.265 0.854) 3.101 3.260 ( -1.230 -2.282 -2.138) 3.360 3.293 ( 3.000 -0.857 -3.768) 4.892 3.392 ( -4.383 -0.351 3.195) 5.435 3.486 ( 1.747 2.976 1.745) 3.867 3.521 ( -1.400 -3.939 -2.860) 5.065 3.529 ( 8.329 1.045 -5.441) 10.004 3.626 ( 0.765 -2.890 2.020) 3.607 3.784 ( 0.499 4.651 -1.619) 4.950 3.873 ( -1.762 -2.417 3.147) 4.342 3.931 ( 0.789 -0.326 2.357) 2.506 3.970 ( 5.518 4.582 -2.522) 7.603 4.028 ( -1.346 0.913 3.240) 3.625 4.045 ( -0.356 1.564 0.736) 1.765 4.054 ( 10.548 1.837 -4.048) 11.447 4.201 ( 4.182 -3.056 -1.495) 5.391 4.254 ( 0.562 -2.811 -3.472) 4.502 4.331 ( -3.840 -1.327 6.110) 7.338 4.375 ( 0.307 -3.598 -5.391) 6.489 4.396 ( -4.550 -1.938 -2.190) 5.409 4.454 ( 0.380 -2.332 -2.655) 3.554 4.553 ( -2.423 -3.801 -5.705) 7.270 4.643 ( 2.376 -3.030 1.657) 4.192 4.708 ( -0.543 -3.406 2.104) 4.040 4.761 ( 2.271 0.021 0.431) 2.311 4.793 ( 0.912 1.764 -1.913) 2.757 4.914 ( 1.574 -2.439 0.823) 3.017 5.031 ( 2.017 -3.651 0.145) 4.174 5.056 ( -4.191 -2.929 -1.107) 5.232 5.086 ( -0.255 -3.388 1.466) 3.700 5.201 ( -3.068 -0.160 2.373) 3.882 5.253 ( -3.413 -0.039 1.277) 3.645 5.298 ( 1.014 -5.724 -1.208) 5.937 5.508 ( -1.150 1.315 3.348) 3.776 5.554 ( -0.265 -1.013 -3.780) 3.922 5.588 ( 1.400 0.606 -0.279) 1.550 5.812 ( 1.139 -0.332 -2.558) 2.820 5.834 ( -3.050 -5.861 0.451) 6.622 5.939 ( 0.776 -3.876 4.790) 6.211 5.955 ( -0.653 -2.125 0.909) 2.402 6.009 ( -3.656 -1.657 -0.939) 4.122 6.065 ( -0.033 1.035 -1.102) 1.512 6.099 ( -8.443 -1.466 3.180) 9.140 6.158 ( 5.790 -1.430 4.303) 7.355 6.399 ( -4.825 -3.626 2.807) 6.656 6.534 ( 4.483 5.459 -0.088) 7.064 6.616 ( 2.976 -0.207 -0.640) 3.051 6.646 ( -5.281 0.865 6.592) 8.491 6.991 ( 5.555 0.911 -13.071) 14.232 8.228 ( 0.111 -0.000 -2.924) 2.926 8.403 ( -7.013 -4.022 3.957) 9.001 8.465 ( -1.537 -3.196 6.831) 7.697 8.806 ( 1.847 -4.436 -7.183) 8.642 9.141 ( 2.596 1.175 -0.545) 2.901 9.148 ( -2.163 -1.340 4.127) 4.848 9.280 ( 2.081 4.550 1.724) 5.292 9.407 ( -3.815 -2.327 -0.736) 4.529 9.531 ( -7.207 -0.094 0.150) 7.209 9.592 ( 3.993 -3.880 -7.210) 9.110 9.697 ( 1.869 -0.197 2.809) 3.380 9.843 ( -1.295 2.644 6.175) 6.841 9.978 ( -0.804 -3.541 -0.120) 3.633 10.042 ( 3.256 -2.156 -0.855) 3.998 10.193 ( 1.948 -0.331 -0.226) 1.989 10.242 ( 1.906 1.047 -0.232) 2.187 10.367 ( -1.274 3.827 -3.198) 5.148 10.461 ( -2.733 4.272 1.857) 5.400 10.559 ( 6.939 4.508 0.326) 8.281 10.631 ( 3.073 8.043 -1.370) 8.719 19.544 ( -0.637 2.153 3.608) 4.250 19.620 ( 1.515 4.159 -2.106) 4.902 19.796 ( 2.099 0.015 -0.254) 2.115 20.030 ( -0.221 1.372 3.304) 3.584 20.123 ( 5.596 -0.239 0.039) 5.601 20.311 ( -1.052 -0.392 4.980) 5.105 20.499 ( -3.436 -1.032 -1.605) 3.930 20.581 ( -2.132 4.990 0.709) 5.473 21.195 ( 4.070 -3.869 -5.659) 7.972 21.334 ( 5.039 4.746 4.057) 8.024 21.727 ( -0.750 -2.919 -1.650) 3.436 21.761 ( -0.996 -2.220 1.688) 2.962 21.836 ( -2.691 -3.105 -4.440) 6.049 21.943 ( -6.634 0.009 -3.723) 7.607 22.129 ( 2.224 -5.440 0.935) 5.951 22.324 ( -2.414 -0.591 2.456) 3.494 ======================= Grid point 100 (51/65) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 2.245 8.664 11.190) 14.329 1.237 ( 1.418 0.097 10.495) 10.591 1.451 ( -6.558 14.212 0.367) 15.656 1.481 ( 0.767 4.246 -4.540) 6.263 1.750 ( -1.408 6.271 0.414) 6.441 1.805 ( 3.450 8.431 3.082) 9.617 1.926 ( -1.743 6.200 -9.233) 11.258 1.967 ( -0.386 2.497 0.683) 2.617 2.048 ( -4.197 7.865 5.810) 10.641 2.117 ( 1.215 6.525 -2.627) 7.138 2.204 ( -1.881 10.532 -1.991) 10.882 2.257 ( 4.285 6.699 -8.718) 11.800 2.441 ( 5.878 1.504 -1.567) 6.267 2.473 ( -6.625 -0.264 -0.221) 6.634 2.612 ( -1.491 -0.891 2.762) 3.263 2.649 ( 8.739 1.215 3.912) 9.651 2.721 ( -4.290 1.401 -5.960) 7.476 2.796 ( -0.305 -2.868 -3.389) 4.450 2.843 ( 0.004 7.232 4.410) 8.470 2.862 ( -2.083 0.777 -3.630) 4.257 2.975 ( -0.414 2.700 -2.375) 3.620 3.000 ( 5.143 -0.603 -4.821) 7.075 3.183 ( -5.187 3.614 -0.745) 6.366 3.226 ( 1.787 -0.066 -0.323) 1.817 3.301 ( -1.111 3.879 -0.792) 4.112 3.305 ( 5.693 -1.136 -0.630) 5.839 3.420 ( 3.173 -0.780 4.282) 5.386 3.451 ( -2.192 -0.749 5.677) 6.131 3.491 ( -1.627 2.656 -0.233) 3.124 3.590 ( 4.461 -1.202 -3.515) 5.806 3.770 ( -4.144 3.775 11.825) 13.086 3.809 ( 0.191 -1.942 -0.775) 2.100 3.849 ( 1.872 -2.805 -3.685) 4.995 3.889 ( 1.787 -0.575 0.047) 1.878 3.980 ( -6.413 -3.229 5.663) 9.145 4.025 ( 2.165 -0.162 4.752) 5.224 4.074 ( 1.774 -4.333 -3.332) 5.747 4.136 ( -4.371 -3.532 -4.396) 7.135 4.165 ( 0.446 1.237 2.837) 3.127 4.215 ( 2.765 -2.926 1.073) 4.167 4.253 ( -3.213 0.850 -2.401) 4.100 4.285 ( 1.889 1.401 -5.545) 6.023 4.319 ( 0.307 2.260 -3.600) 4.262 4.398 ( 1.416 -5.881 -6.501) 8.880 4.574 ( -0.451 -0.194 1.837) 1.902 4.633 ( 2.591 -2.788 -1.159) 3.979 4.652 ( -2.026 3.720 2.139) 4.745 4.727 ( 0.651 -2.421 -3.745) 4.506 4.849 ( -3.900 1.560 0.447) 4.224 4.874 ( 3.336 1.044 -1.914) 3.985 4.983 ( -0.117 -1.274 1.947) 2.330 5.026 ( 1.676 -2.464 -1.116) 3.182 5.075 ( 1.429 0.540 0.987) 1.819 5.105 ( -3.701 2.129 -2.167) 4.789 5.220 ( -2.830 -1.370 4.672) 5.631 5.282 ( 4.448 -0.325 -1.279) 4.640 5.481 ( -4.431 -0.210 4.323) 6.194 5.559 ( 3.313 -1.075 -2.813) 4.478 5.667 ( 3.355 -1.778 2.597) 4.600 5.738 ( -1.455 -2.695 6.326) 7.028 5.773 ( -1.127 -0.624 -6.041) 6.177 5.817 ( -3.565 -1.519 -0.525) 3.911 5.911 ( 0.844 -2.804 4.984) 5.780 5.963 ( -2.424 -4.248 1.326) 5.068 5.993 ( 4.283 -2.066 0.729) 4.811 6.053 ( -0.726 -3.260 -3.271) 4.675 6.283 ( 5.019 -1.446 3.373) 6.218 6.300 ( -5.399 0.784 0.848) 5.521 6.536 ( -6.024 -3.307 6.335) 9.346 6.607 ( 1.934 -3.127 -1.419) 3.941 6.699 ( 0.358 0.458 1.668) 1.766 6.829 ( 1.798 -9.858 -9.959) 14.128 8.233 ( -3.722 0.156 1.226) 3.922 8.266 ( 4.494 -0.169 -1.891) 4.878 8.504 ( 1.035 -3.436 6.933) 7.807 8.657 ( -0.962 -6.424 -7.606) 10.002 9.121 ( -0.715 -1.730 3.432) 3.909 9.209 ( 0.119 -0.177 -4.177) 4.183 9.286 ( 2.924 -4.454 1.780) 5.617 9.323 ( -4.902 -3.732 -0.654) 6.196 9.393 ( -2.231 1.888 4.055) 4.999 9.539 ( 2.661 -0.984 -8.132) 8.613 9.836 ( 2.873 -0.153 4.445) 5.295 9.879 ( 0.284 -0.705 1.127) 1.359 9.921 ( -1.880 2.830 2.993) 4.528 10.005 ( 1.409 0.331 -3.888) 4.148 10.251 ( -1.312 3.008 3.695) 4.942 10.340 ( 1.460 4.655 -4.026) 6.326 10.435 ( 2.330 3.947 3.318) 5.658 10.493 ( -3.148 5.327 -1.040) 6.274 10.722 ( -1.675 2.717 2.170) 3.860 10.758 ( 2.264 2.298 -1.929) 3.759 19.634 ( 0.137 4.622 4.554) 6.490 19.710 ( -0.127 5.357 -2.597) 5.955 19.872 ( 1.310 0.594 5.562) 5.745 20.005 ( -1.524 2.875 -6.207) 7.008 20.241 ( -5.026 0.398 4.840) 6.989 20.324 ( 7.569 0.448 -2.867) 8.106 20.497 ( 5.634 0.139 2.816) 6.300 20.576 ( -6.822 2.999 -5.271) 9.128 21.134 ( 4.878 -10.294 2.618) 11.688 21.246 ( -8.470 -9.507 -7.854) 14.960 21.622 ( 2.813 -0.365 2.128) 3.546 21.662 ( -3.043 -0.027 -2.169) 3.737 21.827 ( -1.585 0.554 0.257) 1.698 21.838 ( 0.929 0.124 -0.866) 1.276 22.228 ( -2.950 1.033 6.220) 6.961 22.310 ( 6.094 -0.235 -1.265) 6.228 ======================= Grid point 101 (52/65) ======================= q-point: ( 0.20 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -3.121 3.584 12.626) 13.491 1.341 ( 3.168 10.364 -10.150) 14.849 1.448 ( -1.444 3.343 1.785) 4.056 1.495 ( 8.307 0.843 -3.651) 9.113 1.768 ( -2.010 12.471 1.278) 12.697 1.796 ( 2.013 15.103 5.350) 16.148 1.906 ( -0.673 4.639 2.304) 5.223 2.002 ( -0.901 3.500 -0.699) 3.682 2.063 ( 3.627 2.608 8.755) 9.829 2.087 ( 3.943 1.841 -7.669) 8.817 2.191 ( -2.487 8.213 -2.390) 8.908 2.265 ( -1.610 2.917 -2.129) 3.954 2.402 ( -3.416 0.537 1.542) 3.787 2.458 ( -2.929 2.715 -3.297) 5.179 2.542 ( 1.294 -0.919 3.074) 3.459 2.652 ( 3.709 0.045 -4.394) 5.751 2.683 ( -6.892 4.498 2.315) 8.550 2.823 ( 2.852 -0.438 -1.628) 3.313 2.876 ( 5.801 0.504 -2.964) 6.534 2.914 ( 2.582 7.074 1.745) 7.730 3.025 ( 6.170 4.111 -2.967) 7.986 3.073 ( 2.376 1.159 -3.563) 4.437 3.127 ( 1.594 -2.471 2.348) 3.763 3.188 ( -3.894 0.897 -0.929) 4.103 3.310 ( 4.429 6.628 -0.813) 8.013 3.365 ( -3.498 -0.593 0.195) 3.553 3.408 ( 1.968 -0.172 -2.582) 3.251 3.464 ( -0.441 0.767 1.320) 1.589 3.509 ( -0.478 1.494 1.076) 1.902 3.660 ( -5.185 2.306 -0.903) 5.746 3.673 ( 4.000 -2.760 -5.268) 7.168 3.789 ( -2.946 4.302 -2.792) 5.915 3.861 ( -0.994 -5.439 4.346) 7.033 3.896 ( -0.504 -5.778 5.292) 7.852 3.937 ( -10.496 3.415 3.913) 11.710 3.980 ( 0.780 -0.841 -1.609) 1.976 4.076 ( -4.122 -0.175 5.059) 6.528 4.111 ( -1.410 -2.067 -3.156) 4.027 4.128 ( 0.411 -0.076 0.185) 0.457 4.216 ( 0.098 -1.377 -0.298) 1.412 4.242 ( 2.986 2.257 -2.947) 4.764 4.317 ( 0.151 -1.646 -2.158) 2.718 4.360 ( 4.870 -2.088 -1.013) 5.395 4.445 ( 6.355 -1.983 -1.774) 6.890 4.506 ( -7.286 3.453 -3.542) 8.807 4.590 ( -2.207 -4.254 1.223) 4.946 4.595 ( -1.030 -0.668 -0.372) 1.283 4.733 ( -0.414 -0.032 2.545) 2.579 4.763 ( -3.097 -3.677 -1.194) 4.953 4.942 ( -2.130 -0.417 1.368) 2.565 4.977 ( -0.060 3.438 -1.505) 3.753 5.022 ( 4.246 -1.584 -1.038) 4.650 5.066 ( -0.327 -0.587 -0.656) 0.939 5.148 ( -1.263 -1.720 1.239) 2.467 5.202 ( 0.978 -3.115 1.403) 3.554 5.316 ( -0.245 1.547 -2.200) 2.700 5.448 ( -1.104 -2.319 3.293) 4.176 5.574 ( 1.711 0.185 -2.485) 3.023 5.658 ( -2.353 0.664 -0.752) 2.558 5.689 ( -2.392 0.544 3.204) 4.035 5.782 ( -1.054 -3.078 0.782) 3.346 5.848 ( 2.680 -3.599 4.014) 6.020 5.935 ( 0.692 -3.598 -0.993) 3.796 5.969 ( 1.066 -2.268 0.607) 2.579 6.040 ( 1.848 -3.641 -0.524) 4.116 6.114 ( 7.376 -2.431 -1.434) 7.898 6.187 ( -4.976 -0.421 -0.107) 4.995 6.395 ( 1.354 -3.263 3.028) 4.653 6.482 ( -3.803 -0.666 5.132) 6.422 6.611 ( -1.768 -0.104 -0.161) 1.778 6.677 ( 0.088 -6.956 0.997) 7.027 6.839 ( 3.087 -4.097 -4.698) 6.956 8.207 ( 0.187 1.354 0.532) 1.467 8.365 ( 6.495 -3.749 -1.220) 7.598 8.541 ( -2.708 -5.249 -2.943) 6.599 8.569 ( -1.890 -5.145 2.369) 5.972 9.123 ( -1.516 0.858 3.278) 3.712 9.186 ( 1.507 -3.095 -1.249) 3.661 9.300 ( 2.887 -6.276 -0.617) 6.936 9.383 ( -2.968 2.291 4.753) 6.053 9.413 ( 5.894 -4.697 4.260) 8.657 9.511 ( 1.522 2.571 -7.606) 8.172 9.771 ( -7.945 0.950 -3.030) 8.556 9.888 ( 0.367 -1.936 0.552) 2.046 9.962 ( 1.754 1.631 3.128) 3.940 10.051 ( 5.564 1.839 -4.303) 7.270 10.234 ( -2.634 3.687 3.266) 5.586 10.329 ( -0.155 4.731 -4.824) 6.758 10.414 ( -2.309 4.585 -0.507) 5.158 10.532 ( 3.205 4.967 3.028) 6.642 10.641 ( -5.679 2.606 0.431) 6.263 10.766 ( -1.343 4.089 -1.164) 4.458 19.655 ( -1.463 5.146 3.296) 6.284 19.682 ( -0.162 4.764 -3.138) 5.707 19.848 ( -3.805 4.107 0.039) 5.598 20.007 ( 0.772 -3.493 3.023) 4.684 20.141 ( -3.923 0.460 -3.074) 5.005 20.387 ( -6.657 -2.900 -4.784) 8.696 20.452 ( 6.079 1.576 -0.955) 6.352 20.678 ( 7.500 4.460 3.734) 9.491 21.004 ( -7.680 -7.237 -0.234) 10.555 21.380 ( 11.125 -9.385 6.195) 15.818 21.580 ( -3.701 -0.533 -1.611) 4.072 21.676 ( 1.185 -0.993 1.784) 2.361 21.796 ( -1.459 0.682 0.266) 1.632 21.872 ( 2.423 -0.929 0.843) 2.728 22.133 ( -6.924 2.195 0.270) 7.268 22.415 ( 4.702 -1.236 -5.163) 7.092 ======================= Grid point 102 (53/65) ======================= q-point: ( 0.40 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -10.019 8.803 11.380) 17.532 1.376 ( 1.502 1.875 -4.299) 4.925 1.391 ( 5.648 10.029 -4.647) 12.413 1.579 ( 7.909 9.653 -13.419) 18.325 1.771 ( -4.650 7.438 8.287) 12.068 1.860 ( -1.739 9.533 7.574) 12.299 1.899 ( 0.601 7.522 4.607) 8.841 1.997 ( -1.568 13.051 -3.493) 13.601 2.048 ( -5.307 5.111 1.594) 7.538 2.128 ( 2.627 1.765 -3.915) 5.034 2.211 ( 2.389 3.872 -2.184) 5.047 2.277 ( 10.150 -5.942 4.052) 12.440 2.369 ( 1.576 6.848 -2.113) 7.338 2.439 ( -6.259 2.342 -6.160) 9.089 2.559 ( 4.112 3.470 5.042) 7.374 2.637 ( -0.075 0.929 5.196) 5.279 2.766 ( 4.733 -1.603 -1.776) 5.303 2.808 ( -1.001 -2.495 -2.492) 3.666 2.867 ( -1.911 5.612 -5.242) 7.914 2.963 ( 3.512 -0.562 -5.148) 6.257 2.976 ( -6.397 1.049 1.201) 6.592 3.127 ( 2.840 1.714 4.311) 5.440 3.215 ( 4.936 1.406 -0.930) 5.216 3.264 ( -2.038 -0.540 0.002) 2.109 3.287 ( 3.903 4.170 2.260) 6.142 3.356 ( -2.050 2.057 -3.594) 4.621 3.430 ( -0.547 1.218 -1.747) 2.199 3.445 ( 2.262 3.618 -1.661) 4.579 3.473 ( -0.718 -0.276 3.594) 3.675 3.585 ( -8.996 2.793 2.690) 9.797 3.644 ( 6.982 7.754 -8.054) 13.181 3.735 ( -6.859 0.635 7.787) 10.397 3.791 ( -0.039 2.526 -1.371) 2.875 3.884 ( -0.607 -7.649 3.874) 8.595 3.938 ( -2.522 -3.417 -0.862) 4.334 3.981 ( 2.246 -2.861 -2.410) 4.363 4.018 ( -1.696 0.246 -1.139) 2.058 4.073 ( -4.597 -1.958 1.052) 5.106 4.094 ( -0.865 0.094 1.173) 1.460 4.207 ( 2.989 0.633 -8.086) 8.644 4.286 ( 1.312 -1.763 -3.439) 4.081 4.296 ( -6.938 0.472 -2.998) 7.573 4.332 ( 1.468 -2.789 4.600) 5.576 4.415 ( 1.592 -4.677 -0.732) 4.994 4.537 ( 1.291 -3.057 0.209) 3.325 4.564 ( 0.335 1.211 -1.104) 1.672 4.688 ( 5.554 -1.350 3.003) 6.456 4.714 ( 0.988 -5.434 -0.958) 5.606 4.751 ( -1.221 -1.215 0.378) 1.764 4.859 ( -3.908 1.240 -2.688) 4.902 4.979 ( 0.177 0.942 -1.281) 1.600 5.015 ( -2.225 -1.300 -0.644) 2.656 5.085 ( -0.836 -3.675 -0.186) 3.773 5.107 ( 1.495 -0.919 0.141) 1.760 5.230 ( 0.444 -2.381 -0.031) 2.422 5.280 ( -2.316 -1.095 -0.228) 2.572 5.504 ( 3.438 -1.015 3.156) 4.776 5.608 ( 1.149 0.740 0.246) 1.388 5.621 ( -1.460 0.094 1.886) 2.387 5.695 ( -0.049 0.607 2.885) 2.948 5.785 ( -0.736 -3.031 2.873) 4.240 5.851 ( -1.198 -4.850 -0.454) 5.017 5.967 ( -1.427 -2.921 1.132) 3.443 5.980 ( 2.736 -1.196 -1.886) 3.532 6.076 ( 1.036 -1.907 0.568) 2.243 6.112 ( -0.844 0.693 0.739) 1.318 6.265 ( 8.033 -3.582 -2.887) 9.257 6.336 ( -8.473 -3.995 3.600) 10.036 6.480 ( -0.385 0.183 3.387) 3.414 6.581 ( 0.176 -1.178 -3.300) 3.509 6.719 ( 0.997 -5.207 4.586) 7.009 6.843 ( 0.743 -4.090 -3.474) 5.418 8.240 ( 2.405 1.222 1.303) 2.996 8.390 ( -3.965 -2.617 -4.046) 6.240 8.494 ( 0.638 -6.115 1.970) 6.456 8.574 ( 1.215 -7.981 -0.442) 8.085 9.159 ( 1.734 3.525 5.189) 6.508 9.231 ( 0.642 -2.612 4.666) 5.386 9.367 ( 2.266 -0.883 -1.227) 2.724 9.379 ( 3.072 -4.619 0.334) 5.557 9.427 ( -0.557 4.876 -7.872) 9.277 9.556 ( -6.177 0.363 -1.891) 6.470 9.620 ( 2.965 -4.845 5.829) 8.139 9.889 ( -0.953 -3.011 -1.872) 3.671 9.985 ( -0.557 3.163 1.016) 3.369 10.112 ( 3.402 1.943 -6.780) 7.830 10.205 ( -2.843 3.219 2.527) 4.983 10.261 ( -0.316 2.880 -5.099) 5.865 10.411 ( 0.597 4.737 2.847) 5.559 10.534 ( -3.367 1.079 -2.122) 4.123 10.612 ( 0.875 7.584 4.345) 8.784 10.716 ( -1.869 6.694 -1.469) 7.104 19.631 ( -2.723 4.537 2.227) 5.741 19.665 ( 1.083 4.371 -3.036) 5.432 19.820 ( 0.858 3.672 0.998) 3.901 19.947 ( -6.843 -1.577 -0.274) 7.028 20.123 ( 2.694 -3.679 -0.716) 4.616 20.257 ( -3.644 -4.039 -4.129) 6.829 20.543 ( 3.521 1.610 1.794) 4.267 20.723 ( -1.800 -0.315 -6.157) 6.422 21.037 ( 5.507 2.482 12.815) 14.167 21.435 ( -4.369 6.109 -6.375) 9.851 21.658 ( 6.517 -11.222 5.811) 14.219 21.697 ( -0.627 -2.629 2.321) 3.563 21.783 ( 0.054 1.158 2.986) 3.204 21.967 ( 3.419 -4.354 5.054) 7.496 22.004 ( -3.022 2.197 -2.245) 4.359 22.384 ( -1.943 -3.873 -10.273) 11.150 ======================= Grid point 103 (54/65) ======================= q-point: (-0.40 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -12.269 13.806 12.767) 22.453 1.322 ( -8.899 10.039 9.498) 16.437 1.523 ( 12.610 9.763 -16.634) 23.044 1.597 ( 3.551 4.381 -10.906) 12.278 1.736 ( -6.771 3.651 12.017) 14.269 1.852 ( -5.344 8.525 8.093) 12.912 1.916 ( 2.793 7.393 -1.082) 7.976 2.029 ( 5.338 14.013 -0.226) 14.997 2.067 ( 3.328 4.802 2.584) 6.388 2.129 ( 2.814 9.878 -8.802) 13.526 2.229 ( -5.281 9.200 -2.114) 10.816 2.318 ( 1.701 2.764 0.110) 3.247 2.383 ( -0.850 3.421 -3.408) 4.903 2.396 ( 4.807 -1.359 -4.501) 6.724 2.611 ( -3.472 0.305 5.158) 6.225 2.679 ( -2.924 -1.318 1.462) 3.524 2.701 ( -1.650 3.127 -4.746) 5.918 2.755 ( 0.720 0.653 0.474) 1.082 2.835 ( -2.705 -4.184 -2.322) 5.496 2.972 ( 3.701 0.729 3.142) 4.909 3.066 ( 4.585 0.968 5.581) 7.288 3.080 ( -1.913 1.768 -5.559) 6.139 3.188 ( -7.280 6.639 1.639) 9.988 3.232 ( -1.008 -0.323 -1.410) 1.763 3.307 ( -3.799 -0.640 1.569) 4.160 3.390 ( -1.698 4.339 -1.899) 5.032 3.397 ( 3.771 -0.673 2.431) 4.537 3.435 ( 3.172 5.190 -0.668) 6.119 3.493 ( 3.447 3.256 -3.068) 5.648 3.581 ( 2.367 2.213 3.431) 4.719 3.606 ( -9.580 0.670 -3.026) 10.069 3.777 ( 3.719 3.231 -2.986) 5.761 3.840 ( 0.329 -5.443 1.423) 5.635 3.869 ( -0.659 -4.528 3.342) 5.667 3.914 ( 4.570 -4.330 3.978) 7.447 3.967 ( 0.207 -1.208 2.543) 2.823 4.027 ( -0.910 -5.815 -0.920) 5.957 4.046 ( 2.969 1.568 0.832) 3.459 4.092 ( 2.499 -2.352 -5.240) 6.264 4.161 ( -2.161 1.657 -1.088) 2.932 4.257 ( 3.869 -0.986 -3.630) 5.396 4.315 ( 4.916 -1.254 -3.319) 6.063 4.361 ( -2.541 -4.014 2.953) 5.593 4.424 ( 1.054 -3.629 -0.461) 3.807 4.543 ( -1.637 0.590 -0.650) 1.857 4.579 ( 1.391 -0.081 -2.396) 2.772 4.684 ( -1.148 -4.090 -0.131) 4.250 4.735 ( 2.424 -1.674 -1.444) 3.280 4.784 ( -0.694 -0.044 -3.175) 3.250 4.830 ( 4.494 1.110 0.279) 4.637 4.960 ( -2.302 -1.836 0.243) 2.954 5.016 ( 2.367 -0.749 0.234) 2.494 5.059 ( -1.867 -2.022 1.383) 3.080 5.146 ( 3.000 -1.942 -2.798) 4.538 5.225 ( -2.441 -2.670 0.385) 3.638 5.247 ( 0.094 -1.674 2.457) 2.974 5.557 ( -2.856 1.377 0.226) 3.179 5.574 ( 0.279 -0.570 1.033) 1.213 5.637 ( -2.223 -0.137 1.031) 2.454 5.729 ( 0.633 -3.599 4.833) 6.059 5.776 ( 0.326 -1.799 -0.488) 1.893 5.834 ( -0.404 -3.581 -0.199) 3.609 5.916 ( -4.342 -3.675 3.342) 6.598 6.017 ( 1.107 -0.365 -1.424) 1.840 6.101 ( 0.484 -0.637 1.842) 2.009 6.113 ( 0.266 1.185 -1.729) 2.113 6.184 ( -8.998 -3.649 3.797) 10.426 6.371 ( 3.924 -1.214 -0.500) 4.138 6.517 ( 2.513 -1.174 2.044) 3.445 6.569 ( 1.714 -0.714 -4.001) 4.410 6.718 ( -5.406 -3.547 4.332) 7.783 6.861 ( 4.559 -8.074 -4.683) 10.388 8.275 ( -2.782 -0.567 -0.870) 2.969 8.326 ( 3.102 0.403 0.512) 3.170 8.447 ( -6.940 -6.136 5.036) 10.544 8.635 ( 5.713 -8.210 -4.809) 11.098 9.190 ( -4.250 2.631 5.319) 7.299 9.243 ( -4.334 3.243 5.267) 7.552 9.325 ( -0.361 3.760 -5.000) 6.266 9.405 ( 0.859 -3.123 -4.626) 5.647 9.465 ( 4.008 -3.069 -5.859) 7.734 9.497 ( 6.731 -2.746 2.416) 7.661 9.699 ( -5.692 -3.848 5.138) 8.579 9.842 ( 2.195 -3.215 -3.277) 5.089 9.986 ( -2.091 3.279 3.742) 5.397 10.050 ( -2.450 3.169 -4.044) 5.692 10.165 ( -1.600 1.635 2.125) 3.122 10.297 ( 4.143 2.811 -3.592) 6.162 10.466 ( 2.008 2.242 2.008) 3.618 10.473 ( -0.372 2.893 -0.797) 3.023 10.635 ( -1.842 7.554 3.314) 8.452 10.707 ( 2.626 6.619 -1.848) 7.357 19.600 ( -2.132 3.743 2.701) 5.084 19.689 ( 3.441 5.388 -2.935) 7.034 19.821 ( -4.418 -0.392 0.692) 4.489 19.906 ( 5.665 2.634 2.621) 6.775 20.143 ( -2.046 -2.843 -0.033) 3.503 20.217 ( 3.063 -4.055 -1.433) 5.280 20.595 ( -2.889 1.327 0.495) 3.218 20.648 ( 2.103 0.169 -3.104) 3.753 21.227 ( -1.338 1.049 2.891) 3.354 21.306 ( 2.658 8.171 -2.083) 8.841 21.673 ( -3.309 -6.343 1.045) 7.230 21.728 ( 1.440 -1.711 -0.608) 2.317 21.860 ( -1.250 -1.166 1.994) 2.627 21.914 ( 3.622 -0.194 1.493) 3.922 22.121 ( -3.057 -4.969 4.053) 7.104 22.227 ( -0.606 -5.606 -7.123) 9.085 ======================= Grid point 104 (55/65) ======================= q-point: (-0.20 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -1.795 11.946 16.072) 20.106 1.240 ( -7.838 11.692 13.660) 19.615 1.517 ( 1.254 2.198 -10.962) 11.250 1.579 ( -0.620 9.467 -9.261) 13.258 1.730 ( -2.129 7.748 10.400) 13.142 1.824 ( -2.914 5.246 1.237) 6.127 1.924 ( -4.482 10.109 -3.491) 11.596 2.005 ( 4.253 7.068 1.978) 8.482 2.104 ( 0.961 6.965 -7.700) 10.427 2.151 ( -1.896 7.098 -5.025) 8.901 2.242 ( -1.355 11.593 3.027) 12.058 2.300 ( -0.447 6.634 -3.842) 7.679 2.340 ( 4.471 8.308 -1.269) 9.519 2.444 ( 7.135 -4.000 -6.045) 10.170 2.576 ( -4.638 0.740 2.737) 5.436 2.655 ( -2.093 -2.800 4.352) 5.582 2.688 ( 2.898 -1.968 0.113) 3.505 2.766 ( 1.603 3.566 3.376) 5.166 2.867 ( 3.782 -3.391 -2.596) 5.704 2.894 ( -3.347 3.306 -6.535) 8.053 3.033 ( -5.212 7.322 -1.769) 9.160 3.139 ( 0.793 -1.749 -4.518) 4.909 3.179 ( -2.293 -0.281 -1.741) 2.893 3.216 ( 1.581 0.726 8.105) 8.290 3.247 ( 0.386 -1.146 -4.353) 4.518 3.324 ( -2.654 7.774 3.191) 8.813 3.351 ( -6.132 -1.548 1.423) 6.482 3.451 ( -0.314 -2.319 1.977) 3.063 3.525 ( 1.514 1.561 0.294) 2.194 3.570 ( -0.002 1.204 -1.991) 2.326 3.662 ( 5.613 6.021 5.905) 10.130 3.789 ( 1.491 -4.860 -0.831) 5.151 3.838 ( -1.445 -2.460 3.439) 4.468 3.885 ( -0.221 -6.129 0.463) 6.150 3.980 ( 0.024 -1.240 0.266) 1.269 4.025 ( -1.210 -0.985 4.867) 5.111 4.037 ( 5.560 -1.532 -2.871) 6.442 4.126 ( 4.198 -0.166 -4.165) 5.916 4.146 ( 4.472 -4.273 -1.397) 6.341 4.169 ( 1.096 -2.137 3.170) 3.977 4.278 ( 1.007 0.366 -1.723) 2.029 4.315 ( -2.592 -1.845 -2.439) 4.009 4.406 ( 1.544 -0.961 -2.928) 3.447 4.450 ( 5.339 4.321 0.870) 6.923 4.485 ( -3.938 -3.010 -5.758) 7.598 4.570 ( 2.076 -1.808 0.509) 2.800 4.664 ( 0.133 -1.537 -3.675) 3.985 4.744 ( 1.728 -2.444 -0.894) 3.123 4.801 ( 2.127 -1.189 -2.687) 3.627 4.913 ( 1.104 3.288 3.179) 4.705 4.958 ( 3.015 -1.284 0.140) 3.280 5.006 ( -2.738 -1.178 0.898) 3.113 5.066 ( 0.758 0.854 -1.032) 1.539 5.175 ( 0.844 -0.724 -1.075) 1.546 5.210 ( 0.617 -2.727 0.812) 2.912 5.243 ( -2.814 -0.923 3.776) 4.799 5.517 ( 0.942 -2.068 -1.697) 2.836 5.540 ( -4.067 0.791 1.380) 4.367 5.613 ( 0.263 1.318 0.373) 1.395 5.734 ( -2.544 -4.133 4.962) 6.941 5.800 ( 1.829 -1.317 -4.324) 4.876 5.859 ( 1.764 -3.592 3.301) 5.187 5.870 ( -2.996 -4.664 4.127) 6.911 5.989 ( -2.058 -0.403 -2.463) 3.235 6.036 ( -6.504 -4.448 3.347) 8.561 6.094 ( -2.181 -1.032 -0.375) 2.442 6.169 ( 4.000 1.046 1.485) 4.393 6.382 ( -3.141 0.978 2.080) 3.892 6.583 ( 2.393 -2.110 -3.284) 4.578 6.608 ( -0.544 -3.452 5.265) 6.320 6.629 ( -0.710 0.641 -0.543) 1.099 6.884 ( 1.577 -11.182 -7.399) 13.500 8.233 ( 0.308 0.580 -1.720) 1.841 8.324 ( -6.695 -3.375 2.650) 7.952 8.424 ( 2.485 -1.536 4.549) 5.406 8.686 ( 3.116 -7.477 -5.425) 9.749 9.133 ( -3.177 0.077 2.389) 3.976 9.195 ( 0.079 3.661 -1.181) 3.848 9.311 ( -2.358 -2.231 0.908) 3.371 9.365 ( -1.176 -1.085 -0.211) 1.613 9.517 ( 3.173 -2.934 -6.100) 7.475 9.522 ( -6.809 -2.871 -4.861) 8.845 9.682 ( 7.555 0.939 5.147) 9.190 9.872 ( -0.915 0.100 2.796) 2.944 9.959 ( -3.363 1.108 2.742) 4.479 10.007 ( 0.350 -1.097 -0.755) 1.377 10.211 ( 2.520 2.973 3.683) 5.363 10.318 ( 1.629 5.080 -1.634) 5.579 10.431 ( -1.163 2.466 -2.820) 3.922 10.543 ( -0.660 3.444 2.246) 4.164 10.643 ( 3.555 4.549 1.594) 5.990 10.752 ( 1.900 4.643 -0.751) 5.073 19.600 ( -0.385 3.689 3.921) 5.397 19.720 ( 1.146 5.655 -2.222) 6.183 19.800 ( 1.346 0.618 2.645) 3.032 20.063 ( 2.208 1.947 1.971) 3.543 20.112 ( 6.008 -0.963 -2.458) 6.562 20.290 ( 2.388 -2.285 3.363) 4.715 20.489 ( -4.439 0.709 -3.189) 5.512 20.684 ( -0.839 5.402 0.309) 5.476 21.098 ( -1.538 -6.143 -7.583) 9.880 21.430 ( -0.268 4.126 3.154) 5.201 21.587 ( -3.397 -9.294 -1.969) 10.089 21.727 ( -1.179 -0.984 -2.351) 2.808 21.822 ( 0.416 0.398 -2.695) 2.756 21.919 ( -7.011 -2.298 -5.132) 8.987 22.081 ( 8.246 0.146 5.022) 9.656 22.287 ( -0.909 -2.853 7.267) 7.859 ======================= Grid point 105 (56/65) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 2.837 2.294 6.855) 7.765 1.291 ( -3.554 2.092 2.809) 4.990 1.554 ( -4.761 2.206 1.591) 5.483 1.606 ( -0.636 0.194 1.254) 1.420 1.766 ( -7.163 5.221 4.108) 9.770 1.980 ( 4.883 1.540 -2.550) 5.720 2.028 ( -1.223 10.718 -2.795) 11.144 2.086 ( -1.881 7.505 -6.359) 10.015 2.203 ( -2.132 2.210 4.863) 5.751 2.232 ( 0.794 7.416 3.926) 8.429 2.316 ( 1.577 1.673 -6.941) 7.312 2.361 ( 0.285 4.935 -3.315) 5.952 2.439 ( -1.170 -1.393 -4.586) 4.934 2.497 ( -3.912 3.217 -4.662) 6.884 2.624 ( 6.897 -1.589 -0.615) 7.104 2.638 ( -0.085 0.217 -0.535) 0.583 2.718 ( 2.866 -4.381 0.016) 5.235 2.744 ( -3.300 0.201 -4.318) 5.438 2.879 ( 3.103 0.686 0.224) 3.185 2.941 ( 0.011 -0.252 -0.305) 0.396 3.001 ( 2.685 3.749 -1.677) 4.907 3.046 ( 0.949 5.545 -2.044) 5.986 3.221 ( -5.332 1.498 1.356) 5.702 3.248 ( 2.071 2.119 3.242) 4.392 3.297 ( 3.085 1.178 2.439) 4.105 3.380 ( 1.110 -0.730 -3.995) 4.210 3.403 ( -2.177 -2.258 1.534) 3.491 3.436 ( 2.309 -0.243 2.146) 3.161 3.536 ( -1.476 -3.633 0.484) 3.952 3.590 ( 0.123 2.633 3.828) 4.647 3.641 ( 2.094 -7.290 -4.754) 8.952 3.722 ( -0.209 -5.664 -7.807) 9.647 3.816 ( -2.280 -1.331 6.857) 7.348 3.863 ( -0.269 -6.582 5.443) 8.545 3.880 ( 3.064 -4.913 4.803) 7.523 3.968 ( -1.316 -4.347 -4.592) 6.459 4.083 ( 2.326 2.553 2.695) 4.381 4.099 ( -4.411 2.324 1.222) 5.133 4.181 ( 2.002 0.186 0.727) 2.138 4.214 ( 1.685 0.035 -4.130) 4.461 4.285 ( 4.064 2.230 -0.471) 4.660 4.327 ( -2.576 3.523 -5.150) 6.751 4.393 ( -1.251 10.493 2.127) 10.779 4.459 ( 0.265 6.242 -1.011) 6.329 4.565 ( 1.347 -1.614 0.560) 2.176 4.586 ( -1.786 -0.675 -0.655) 2.019 4.723 ( 0.294 4.582 0.448) 4.614 4.734 ( -0.044 4.349 0.234) 4.355 4.865 ( 6.102 -0.788 1.442) 6.319 4.904 ( -4.627 1.531 -1.747) 5.177 4.968 ( -1.330 -1.044 1.513) 2.269 5.016 ( 0.141 0.166 -2.192) 2.203 5.107 ( 2.007 2.019 2.666) 3.900 5.160 ( -2.247 -1.315 -0.539) 2.659 5.256 ( -4.227 7.672 1.016) 8.818 5.307 ( 5.398 3.067 -1.884) 6.488 5.467 ( -5.295 -0.266 3.785) 6.514 5.538 ( 3.096 -0.017 -1.191) 3.317 5.641 ( 1.651 -1.156 2.409) 3.141 5.673 ( -1.406 -4.109 6.458) 7.783 5.752 ( 2.435 -3.516 -5.449) 6.927 5.765 ( 1.403 -3.721 -2.000) 4.451 5.848 ( 0.311 -5.473 1.763) 5.759 5.880 ( -2.886 -2.599 0.908) 3.989 5.980 ( -3.454 -1.128 -0.925) 3.750 5.984 ( 2.802 1.181 -0.308) 3.056 6.200 ( 1.357 -7.269 2.757) 7.892 6.252 ( -4.914 -8.461 -2.751) 10.164 6.491 ( -0.984 -0.792 2.599) 2.890 6.532 ( 1.079 -3.494 -1.443) 3.931 6.652 ( -3.004 -3.769 1.560) 5.066 6.691 ( 3.399 -3.219 -1.923) 5.061 8.245 ( -1.386 1.057 0.967) 1.993 8.269 ( 2.325 0.324 -1.131) 2.606 8.449 ( 0.252 -1.891 3.335) 3.842 8.535 ( -0.967 -5.925 -4.593) 7.559 9.098 ( -0.924 -0.348 1.158) 1.521 9.163 ( -1.495 -3.566 -4.189) 5.700 9.236 ( 1.772 -1.134 -0.325) 2.129 9.262 ( -4.414 -2.504 -2.648) 5.724 9.437 ( -0.533 2.678 4.165) 4.981 9.519 ( 3.035 -1.350 -3.779) 5.032 9.842 ( 0.866 0.780 3.509) 3.697 9.868 ( -1.075 -0.422 2.277) 2.553 9.982 ( 0.554 2.705 0.402) 2.790 10.018 ( 3.258 0.592 -2.211) 3.981 10.314 ( -0.894 3.336 2.965) 4.551 10.392 ( 1.138 0.466 -4.094) 4.275 10.524 ( 2.560 5.222 4.194) 7.170 10.585 ( -1.750 3.731 -1.026) 4.247 10.743 ( -0.747 0.018 2.898) 2.993 10.771 ( -0.939 -0.572 -0.195) 1.117 19.721 ( 0.551 4.262 5.495) 6.975 19.792 ( 0.122 2.081 1.559) 2.604 19.900 ( 0.840 3.168 0.756) 3.363 20.028 ( -0.756 -0.758 -7.837) 7.909 20.264 ( -1.972 1.778 4.228) 4.992 20.326 ( 5.887 -0.721 -1.542) 6.128 20.539 ( 5.274 5.157 3.717) 8.260 20.663 ( -10.206 6.054 -7.481) 14.027 20.920 ( 6.362 -11.509 3.203) 13.535 21.040 ( -10.081 -11.454 -7.955) 17.208 21.637 ( 1.677 1.311 0.865) 2.298 21.666 ( -1.548 0.048 -2.197) 2.689 21.834 ( -1.289 0.295 0.358) 1.370 21.841 ( 0.770 0.050 -0.392) 0.866 22.250 ( -0.939 1.313 5.249) 5.491 22.298 ( 5.055 -0.966 0.829) 5.212 ======================= Grid point 106 (57/65) ======================= q-point: ( 0.20 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 3.327 5.260 4.680) 7.787 1.448 ( 10.544 -3.669 -0.198) 11.166 1.477 ( -4.063 4.935 5.898) 8.698 1.577 ( -1.570 10.259 1.440) 10.478 1.798 ( 0.248 -7.299 15.232) 16.892 1.921 ( 2.680 -2.443 -1.368) 3.876 2.049 ( -1.678 9.225 -0.970) 9.426 2.107 ( -4.883 6.981 -3.036) 9.044 2.131 ( -6.708 4.265 7.265) 10.769 2.203 ( 4.485 7.636 -5.133) 10.235 2.268 ( -2.942 1.426 -2.342) 4.022 2.348 ( -0.088 5.245 -0.731) 5.297 2.447 ( 2.478 5.510 -1.439) 6.211 2.517 ( 4.106 1.155 4.267) 6.034 2.570 ( 0.065 3.313 -3.148) 4.571 2.675 ( 0.769 2.283 -2.356) 3.369 2.724 ( 0.296 -4.059 -4.265) 5.895 2.791 ( 1.892 -0.309 -1.098) 2.209 2.874 ( 2.618 0.375 -5.816) 6.389 2.995 ( 3.073 -1.135 1.552) 3.625 3.043 ( 2.797 -1.234 -4.642) 5.559 3.084 ( 4.279 4.491 -2.094) 6.547 3.139 ( -3.409 3.825 3.929) 6.457 3.265 ( -2.966 1.722 0.138) 3.433 3.329 ( -5.896 -1.743 1.854) 6.421 3.365 ( 4.862 -0.201 -0.112) 4.868 3.428 ( 4.907 -1.277 -1.868) 5.403 3.435 ( -0.954 -3.124 -1.415) 3.560 3.512 ( -1.494 -6.004 3.182) 6.958 3.589 ( -2.844 -7.608 -2.758) 8.578 3.628 ( -2.750 -1.112 -2.740) 4.038 3.707 ( 3.299 -0.087 -1.214) 3.516 3.782 ( -1.611 -2.594 3.248) 4.458 3.846 ( -2.482 -0.953 2.229) 3.469 3.942 ( 0.476 -2.751 -5.288) 5.980 3.965 ( -2.984 -5.393 4.455) 7.605 4.043 ( 0.226 -1.198 -3.397) 3.609 4.086 ( -4.557 -0.061 0.287) 4.566 4.190 ( 2.295 1.294 0.459) 2.674 4.226 ( 1.534 -0.815 -3.197) 3.639 4.273 ( -0.232 6.710 -2.558) 7.185 4.336 ( -1.271 5.493 -0.236) 5.643 4.420 ( 3.215 -0.208 2.410) 4.023 4.441 ( -0.647 5.844 -4.018) 7.121 4.552 ( -0.980 2.335 2.155) 3.325 4.597 ( 2.495 2.246 2.032) 3.924 4.657 ( -6.727 6.251 -1.651) 9.331 4.732 ( -2.494 0.183 -0.318) 2.521 4.743 ( -2.904 4.544 -1.427) 5.579 4.962 ( -0.999 2.431 1.899) 3.242 5.009 ( 3.783 0.358 -1.115) 3.960 5.033 ( 1.844 -0.591 -1.031) 2.193 5.127 ( 0.263 4.728 -0.693) 4.786 5.164 ( -3.940 3.207 0.724) 5.131 5.180 ( 1.890 1.527 2.304) 3.348 5.336 ( -2.854 -1.411 1.142) 3.382 5.418 ( -0.795 3.209 -1.617) 3.680 5.576 ( 2.243 -0.129 -1.284) 2.588 5.623 ( -2.554 -2.982 3.123) 5.017 5.677 ( -1.050 -3.274 1.672) 3.823 5.768 ( 0.168 0.143 -1.357) 1.375 5.785 ( 1.414 -4.812 -1.640) 5.277 5.858 ( 1.613 -3.610 0.971) 4.072 5.901 ( 2.310 -7.834 1.834) 8.371 5.944 ( -0.296 -0.062 1.098) 1.139 6.073 ( 5.173 -1.129 -0.985) 5.386 6.159 ( -2.665 -3.536 -0.521) 4.458 6.237 ( -1.522 -12.675 5.963) 14.090 6.487 ( -0.279 0.945 0.840) 1.295 6.556 ( 1.161 -4.377 -1.221) 4.690 6.606 ( -1.866 -0.012 1.942) 2.693 6.723 ( 1.313 -6.739 -2.211) 7.213 8.243 ( 0.720 2.332 0.333) 2.463 8.314 ( 3.602 -1.715 -1.608) 4.301 8.453 ( -2.974 -3.709 -0.998) 4.858 8.473 ( -2.163 -4.479 1.918) 5.331 9.121 ( 1.600 -1.165 2.645) 3.303 9.143 ( 0.511 -1.550 1.987) 2.571 9.216 ( 1.391 -1.180 -0.195) 1.834 9.323 ( 4.553 -4.576 4.156) 7.678 9.439 ( -0.804 3.110 0.590) 3.266 9.525 ( 1.331 -0.803 -5.465) 5.682 9.810 ( -5.491 2.325 -1.557) 6.163 9.865 ( -0.950 -0.925 1.413) 1.937 10.002 ( 2.805 2.694 -0.777) 3.966 10.072 ( 4.380 0.085 -5.101) 6.724 10.305 ( -1.708 3.615 1.979) 4.461 10.384 ( 0.140 0.826 -4.264) 4.346 10.495 ( -3.372 4.000 -0.654) 5.272 10.590 ( -1.629 0.212 -0.118) 1.647 10.703 ( -0.699 4.617 3.917) 6.095 10.809 ( 0.958 0.486 1.205) 1.614 19.751 ( -1.621 4.710 3.242) 5.944 19.778 ( -0.232 4.756 -3.067) 5.664 19.908 ( -2.330 1.435 0.882) 2.875 19.949 ( -1.696 -2.399 -1.804) 3.448 20.150 ( -6.219 1.237 -1.458) 6.507 20.306 ( -6.787 -5.189 -5.018) 9.908 20.529 ( 2.556 6.336 -0.407) 6.845 20.782 ( 5.325 5.642 3.481) 8.503 20.855 ( 0.178 -7.557 1.330) 7.676 21.150 ( 11.307 -12.374 9.730) 19.381 21.615 ( -2.341 2.197 -2.157) 3.868 21.662 ( 0.359 -0.616 0.790) 1.064 21.812 ( -1.233 1.021 0.674) 1.737 21.853 ( 0.911 -1.025 0.524) 1.468 22.196 ( -4.871 4.195 -1.614) 6.628 22.364 ( 1.976 -3.802 -4.880) 6.494 ======================= Grid point 107 (58/65) ======================= q-point: ( 0.40 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 3.314 3.989 4.714) 7.009 1.437 ( -5.360 12.931 11.310) 17.996 1.567 ( 3.819 6.065 -2.845) 7.711 1.694 ( 8.875 3.484 0.044) 9.535 1.841 ( -5.774 1.989 -2.647) 6.656 1.916 ( -2.403 -2.705 12.479) 12.993 2.046 ( -0.487 -0.380 6.882) 6.910 2.060 ( -5.002 3.302 -6.601) 8.916 2.135 ( 0.023 2.891 2.091) 3.568 2.167 ( 8.069 0.886 3.756) 8.944 2.292 ( 3.962 9.495 -0.517) 10.301 2.398 ( 3.628 6.925 1.379) 7.939 2.453 ( 0.777 7.121 -6.130) 9.428 2.511 ( -1.071 5.214 -3.726) 6.497 2.634 ( -2.594 -0.680 -2.012) 3.353 2.671 ( 3.010 5.793 5.886) 8.790 2.710 ( 2.257 -2.425 -4.720) 5.767 2.785 ( 1.865 0.184 -0.061) 1.875 2.931 ( 0.723 -1.018 -7.396) 7.501 2.954 ( -1.120 -0.970 -4.998) 5.213 3.014 ( -4.218 2.735 0.692) 5.075 3.107 ( 0.572 -3.048 4.292) 5.295 3.212 ( -1.717 -4.282 2.406) 5.203 3.234 ( 2.743 -0.411 -1.268) 3.050 3.278 ( 2.344 -2.587 2.251) 4.154 3.387 ( -2.922 -2.164 -0.218) 3.642 3.421 ( -3.357 -4.905 4.956) 7.739 3.465 ( 2.572 3.954 -1.638) 4.993 3.540 ( 0.996 0.990 -2.683) 3.028 3.569 ( 4.131 -1.395 1.070) 4.489 3.609 ( 2.573 -4.834 0.866) 5.544 3.718 ( -0.816 -3.924 4.122) 5.749 3.761 ( -2.751 -0.948 -5.295) 6.042 3.800 ( -0.479 -0.695 -3.442) 3.544 3.874 ( -3.130 -1.867 -4.404) 5.717 3.929 ( -1.993 -3.371 -4.659) 6.086 3.964 ( -2.739 -3.701 1.135) 4.742 4.036 ( -1.594 -6.673 -4.051) 7.967 4.148 ( -6.561 3.248 -1.209) 7.420 4.187 ( -0.060 -1.679 -8.458) 8.623 4.284 ( 2.494 1.777 0.845) 3.176 4.306 ( -2.422 0.395 2.951) 3.838 4.401 ( 0.403 8.556 -1.141) 8.641 4.463 ( -1.220 6.822 -1.864) 7.177 4.546 ( -0.371 3.234 0.561) 3.303 4.618 ( 1.752 -3.021 1.462) 3.786 4.680 ( 2.554 0.010 1.092) 2.777 4.700 ( 2.453 4.348 2.212) 5.460 4.731 ( 0.796 7.484 0.239) 7.530 4.920 ( -2.894 5.319 -1.686) 6.286 5.045 ( 0.934 2.895 0.690) 3.119 5.071 ( 2.829 2.942 -2.304) 4.687 5.080 ( -2.460 7.680 -0.027) 8.064 5.126 ( -3.105 3.629 0.121) 4.778 5.200 ( 1.038 -1.088 -0.469) 1.575 5.262 ( -4.494 -1.072 -0.891) 4.705 5.454 ( 4.057 -3.091 2.697) 5.769 5.586 ( -2.385 -2.576 3.846) 5.207 5.609 ( 0.467 -1.489 -1.796) 2.379 5.714 ( -0.026 0.395 1.581) 1.630 5.757 ( 1.152 -6.732 -2.115) 7.150 5.769 ( -1.081 0.757 2.495) 2.823 5.900 ( -4.193 -3.860 4.874) 7.499 5.934 ( 4.373 -3.983 1.493) 6.101 5.991 ( 1.504 -4.509 1.781) 5.076 6.115 ( 1.238 -1.857 -2.553) 3.391 6.168 ( 2.682 -5.921 -0.190) 6.503 6.215 ( -3.079 -7.994 1.905) 8.776 6.491 ( -0.330 1.098 1.535) 1.916 6.549 ( 0.283 -1.896 -2.323) 3.012 6.622 ( 0.417 -3.267 2.888) 4.381 6.712 ( -0.344 -7.874 -2.576) 8.292 8.276 ( 2.269 2.541 0.352) 3.424 8.350 ( -1.883 -1.523 -1.556) 2.879 8.400 ( 0.795 -3.590 0.338) 3.693 8.447 ( -1.266 -5.470 0.990) 5.701 9.187 ( 1.514 -0.890 5.547) 5.819 9.207 ( 2.441 -0.472 6.278) 6.752 9.299 ( 5.527 -0.033 2.906) 6.245 9.380 ( -0.967 -0.529 -1.348) 1.741 9.450 ( 1.637 -0.089 -4.466) 4.758 9.529 ( 1.987 -4.402 3.394) 5.903 9.642 ( -6.743 6.118 -6.257) 11.048 9.827 ( -2.869 -3.734 -3.698) 5.988 10.053 ( 2.068 3.618 0.316) 4.179 10.128 ( 4.708 -0.091 -3.296) 5.748 10.260 ( -3.798 2.689 -1.494) 4.887 10.303 ( -2.788 1.235 -5.160) 5.994 10.480 ( 0.749 2.529 2.041) 3.335 10.537 ( -2.500 -0.617 0.319) 2.595 10.747 ( 0.522 6.166 3.896) 7.312 10.813 ( -0.621 3.160 -0.050) 3.221 19.720 ( -3.333 4.764 2.556) 6.351 19.756 ( 1.170 4.887 -3.487) 6.117 19.873 ( 0.671 1.116 -2.062) 2.438 19.899 ( -4.749 -3.240 1.675) 5.988 20.072 ( -0.377 -1.194 -0.816) 1.495 20.173 ( -2.960 -4.606 -4.073) 6.824 20.579 ( 2.379 2.372 0.577) 3.409 20.695 ( -3.652 -2.628 -3.978) 6.006 21.115 ( 9.340 5.717 13.796) 17.614 21.425 ( 5.577 -10.396 9.812) 15.345 21.549 ( -0.848 4.031 -2.820) 4.992 21.659 ( -0.673 -2.009 -0.515) 2.180 21.812 ( 0.498 1.884 2.624) 3.268 21.903 ( 2.716 -2.860 3.150) 5.047 22.068 ( -4.497 4.600 -5.364) 8.376 22.288 ( -3.757 -5.960 -10.383) 12.548 ======================= Grid point 108 (59/65) ======================= q-point: (-0.40 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( -10.009 15.673 7.337) 19.991 1.485 ( -2.856 7.919 7.891) 11.538 1.662 ( -1.257 -0.391 1.722) 2.167 1.702 ( 3.310 5.993 -6.494) 9.436 1.815 ( -0.178 9.843 -1.365) 9.939 1.909 ( -7.798 -4.123 10.567) 13.765 1.963 ( 4.864 -1.877 -3.648) 6.363 2.139 ( 3.021 6.576 4.530) 8.538 2.207 ( 6.845 -1.029 -4.658) 8.343 2.257 ( 2.121 6.594 -4.108) 8.053 2.357 ( 1.554 0.415 -0.666) 1.741 2.427 ( -2.196 7.698 -6.375) 10.234 2.438 ( 2.064 5.407 -6.390) 8.621 2.486 ( 2.539 7.505 -0.272) 7.928 2.620 ( -2.332 0.889 2.292) 3.388 2.679 ( -0.725 1.544 -1.908) 2.559 2.721 ( 1.660 1.761 1.675) 2.943 2.776 ( -1.662 3.498 -5.686) 6.879 2.832 ( -4.480 2.444 1.733) 5.389 2.955 ( 4.336 -2.141 2.549) 5.466 3.033 ( -2.457 -6.472 0.183) 6.925 3.091 ( 2.146 -1.366 1.665) 3.040 3.200 ( -1.910 -1.493 -0.022) 2.424 3.241 ( -0.280 -3.738 -0.288) 3.759 3.330 ( -5.369 -1.230 1.193) 5.635 3.356 ( -0.791 -0.672 5.434) 5.532 3.405 ( 1.231 -1.127 -1.214) 2.064 3.465 ( -0.941 -0.131 2.600) 2.768 3.559 ( 0.969 4.335 -0.663) 4.491 3.591 ( -3.054 0.532 -8.854) 9.381 3.637 ( -4.055 -3.616 1.316) 5.590 3.697 ( 3.527 -8.930 -2.243) 9.860 3.744 ( 0.524 -0.503 1.450) 1.622 3.791 ( 0.384 -1.209 0.337) 1.313 3.849 ( 6.958 -3.345 -0.113) 7.721 3.882 ( 3.228 -3.909 -5.122) 7.206 3.968 ( -2.028 -4.344 2.308) 5.320 3.976 ( 0.960 -7.375 1.806) 7.653 4.069 ( 1.086 1.671 -0.657) 2.099 4.188 ( 4.037 -1.993 -2.241) 5.030 4.294 ( -0.244 2.916 -1.367) 3.230 4.335 ( 2.529 1.947 0.741) 3.277 4.400 ( -1.937 8.318 -0.321) 8.546 4.432 ( 1.184 5.440 -0.006) 5.568 4.588 ( 1.215 0.161 -1.520) 1.952 4.600 ( 0.972 1.560 0.848) 2.024 4.673 ( -4.037 2.379 -0.290) 4.695 4.729 ( 0.766 -3.725 -0.095) 3.804 4.783 ( -3.434 8.921 -1.992) 9.765 4.889 ( 4.733 4.472 0.205) 6.514 5.040 ( -1.456 6.252 0.884) 6.480 5.059 ( 0.518 5.144 -0.181) 5.173 5.086 ( 0.257 5.180 -0.923) 5.268 5.155 ( 5.956 4.133 -2.193) 7.574 5.178 ( -2.869 -2.759 0.776) 4.055 5.233 ( 0.901 0.087 1.882) 2.089 5.488 ( -3.350 -5.568 0.842) 6.553 5.574 ( 1.304 -1.394 0.766) 2.056 5.633 ( -0.370 -1.839 2.442) 3.079 5.671 ( -2.420 -1.795 -0.162) 3.018 5.756 ( -0.446 -0.629 0.156) 0.786 5.788 ( -0.218 -2.406 0.574) 2.483 5.852 ( -4.680 -2.545 6.298) 8.249 5.980 ( -5.159 -8.735 7.067) 12.363 6.007 ( 2.199 -1.167 -2.824) 3.764 6.101 ( 0.926 -2.410 -3.780) 4.577 6.151 ( -2.037 -1.617 0.264) 2.614 6.284 ( 8.071 -9.855 -3.757) 13.281 6.489 ( -1.535 -0.050 2.262) 2.734 6.538 ( 0.429 -1.826 -1.883) 2.658 6.634 ( -2.010 -3.689 2.985) 5.154 6.693 ( 0.818 -7.316 -2.112) 7.659 8.275 ( -2.765 0.549 0.528) 2.868 8.331 ( -0.583 -0.940 0.445) 1.193 8.372 ( -1.086 -0.809 1.754) 2.215 8.500 ( 5.079 -6.016 -3.170) 8.488 9.223 ( -3.389 1.732 4.265) 5.716 9.293 ( 0.650 1.171 7.180) 7.304 9.335 ( -0.920 -3.584 -4.836) 6.089 9.380 ( -1.243 -1.133 -5.086) 5.357 9.401 ( -1.101 2.244 -2.858) 3.797 9.534 ( 6.057 2.494 1.423) 6.703 9.626 ( -3.375 -2.590 1.758) 4.603 9.761 ( 3.851 -4.849 -3.379) 7.054 10.054 ( -4.341 3.288 2.024) 5.810 10.098 ( -5.017 1.466 -0.922) 5.307 10.213 ( 1.905 3.415 -0.190) 3.915 10.319 ( 6.674 -0.558 -3.998) 7.800 10.493 ( -2.334 1.400 0.563) 2.780 10.519 ( 0.819 1.022 2.523) 2.843 10.761 ( -1.918 5.470 3.199) 6.621 10.806 ( 0.430 3.446 -0.431) 3.500 19.673 ( -2.941 3.930 3.168) 5.842 19.788 ( -0.872 1.105 0.426) 1.471 19.809 ( 1.443 2.992 -1.144) 3.514 19.946 ( 6.686 1.149 -1.397) 6.926 20.095 ( 0.981 -2.174 0.665) 2.476 20.127 ( 1.920 -4.768 -2.902) 5.903 20.609 ( -2.430 0.634 -2.178) 3.325 20.647 ( 3.824 -0.680 0.442) 3.909 21.266 ( -7.333 3.609 4.672) 9.414 21.445 ( 5.586 3.684 -2.571) 7.168 21.545 ( -6.462 -4.141 3.279) 8.346 21.683 ( 3.891 -3.144 -1.995) 5.386 21.864 ( -1.359 1.264 2.253) 2.918 21.923 ( 2.559 0.289 -0.027) 2.575 22.044 ( -3.139 -2.357 1.219) 4.110 22.131 ( 1.065 -4.620 -4.220) 6.347 ======================= Grid point 109 (60/65) ======================= q-point: (-0.20 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -6.347 9.337 6.806) 13.182 1.415 ( -10.603 5.542 5.338) 13.101 1.574 ( -0.069 1.745 1.048) 2.036 1.708 ( -6.281 0.324 -6.497) 9.042 1.801 ( 3.873 7.232 -0.021) 8.204 1.900 ( -2.351 5.299 6.110) 8.422 2.081 ( 8.317 0.858 -0.434) 8.372 2.141 ( -3.583 9.347 -1.572) 10.133 2.230 ( -1.459 8.405 -1.635) 8.686 2.256 ( -5.369 1.132 -11.155) 12.431 2.288 ( 4.691 -3.524 -5.602) 8.112 2.425 ( 2.134 2.322 -2.592) 4.082 2.443 ( 3.537 4.677 -7.694) 9.673 2.493 ( 1.852 7.282 1.146) 7.601 2.619 ( -1.004 2.881 3.195) 4.418 2.639 ( -3.810 1.783 0.209) 4.212 2.699 ( -2.005 -1.264 1.193) 2.653 2.765 ( 6.082 1.894 -4.599) 7.857 2.841 ( -1.199 -0.997 -1.649) 2.270 2.950 ( 1.699 -0.597 -1.987) 2.682 3.046 ( -4.574 -4.531 0.538) 6.461 3.086 ( -2.701 -1.416 -1.562) 3.426 3.189 ( 0.477 1.223 0.222) 1.331 3.233 ( -0.969 0.166 -0.066) 0.986 3.259 ( 1.204 2.834 6.147) 6.875 3.343 ( -0.138 2.545 4.838) 5.468 3.407 ( -1.902 -2.378 0.318) 3.061 3.432 ( -1.357 -1.743 -1.730) 2.806 3.545 ( -0.177 -2.293 1.726) 2.876 3.588 ( 2.818 -0.014 -3.974) 4.872 3.638 ( -0.548 -2.520 5.284) 5.880 3.723 ( 4.517 -8.009 -8.144) 12.283 3.760 ( 0.408 -1.027 0.709) 1.313 3.794 ( -0.440 -0.119 7.812) 7.826 3.884 ( -0.311 -8.225 -1.500) 8.366 3.985 ( 4.223 -0.334 0.523) 4.268 4.012 ( 1.315 -7.189 1.618) 7.485 4.068 ( 6.558 -1.960 0.919) 6.906 4.142 ( 2.258 5.789 3.966) 7.372 4.218 ( -1.357 7.246 2.035) 7.647 4.277 ( 0.983 -1.437 -5.972) 6.221 4.378 ( -0.433 4.071 0.363) 4.110 4.389 ( 1.576 2.557 -3.013) 4.254 4.454 ( 2.573 0.936 0.822) 2.859 4.548 ( -4.127 4.317 0.979) 6.052 4.621 ( -1.657 -1.190 1.968) 2.835 4.664 ( 2.729 8.393 0.626) 8.848 4.706 ( 5.075 -0.651 -4.714) 6.958 4.763 ( 1.557 -1.661 -1.198) 2.573 4.962 ( -0.360 1.230 1.650) 2.089 5.003 ( -1.865 1.692 -0.691) 2.611 5.025 ( -0.376 3.450 -0.101) 3.472 5.122 ( -2.997 2.570 0.101) 3.949 5.176 ( 4.781 -0.418 -0.256) 4.807 5.217 ( -1.333 1.022 0.788) 1.855 5.268 ( 3.513 7.893 1.401) 8.752 5.478 ( 3.611 0.144 -2.805) 4.575 5.544 ( -4.764 -0.516 1.607) 5.055 5.623 ( -1.514 -0.078 1.346) 2.027 5.645 ( -2.434 -7.316 6.847) 10.312 5.755 ( 0.333 -3.481 -1.437) 3.781 5.765 ( -1.545 -5.194 0.541) 5.446 5.836 ( -0.001 -0.029 0.995) 0.995 5.937 ( -3.094 -3.485 3.188) 5.646 5.988 ( -1.178 0.090 -2.887) 3.119 6.060 ( -3.944 -1.687 -0.189) 4.294 6.155 ( 2.123 -3.052 -0.178) 3.722 6.343 ( -0.090 -11.347 -4.529) 12.217 6.481 ( -0.273 -2.766 1.218) 3.035 6.542 ( -0.111 -2.365 0.040) 2.368 6.627 ( 1.532 -1.316 0.717) 2.143 6.692 ( -0.707 -6.030 -0.154) 6.074 8.248 ( 0.013 0.860 -0.017) 0.860 8.280 ( -3.340 -1.455 1.597) 3.978 8.412 ( 2.036 0.544 0.872) 2.281 8.551 ( 2.649 -6.426 -3.727) 7.886 9.147 ( -4.044 1.301 -0.864) 4.335 9.238 ( -3.425 -3.189 -3.392) 5.780 9.266 ( -2.091 2.711 -5.890) 6.813 9.360 ( -0.992 0.061 3.932) 4.056 9.448 ( -2.946 -3.691 -3.950) 6.157 9.470 ( 1.416 -2.285 -0.662) 2.768 9.735 ( 7.146 3.502 4.191) 8.994 9.847 ( 1.900 -2.309 3.284) 4.441 9.993 ( -3.136 1.787 2.089) 4.170 10.005 ( -2.100 0.569 0.069) 2.177 10.283 ( 2.291 4.140 2.667) 5.432 10.389 ( 3.287 0.961 -3.842) 5.147 10.468 ( -0.557 2.651 1.689) 3.192 10.569 ( 2.483 -0.584 2.661) 3.687 10.734 ( -2.116 4.690 1.497) 5.358 10.808 ( -0.836 1.359 0.284) 1.620 19.673 ( -0.182 3.777 4.735) 6.060 19.767 ( -1.114 -0.662 4.685) 4.861 19.872 ( 3.891 6.640 -3.694) 8.536 20.076 ( 1.661 -2.205 -6.433) 7.000 20.107 ( 8.433 1.737 2.292) 8.910 20.221 ( 5.913 -4.500 2.764) 7.928 20.541 ( -3.044 4.696 -1.658) 5.836 20.744 ( 4.679 -0.976 1.794) 5.105 21.021 ( -12.686 0.611 -8.553) 15.312 21.331 ( -12.716 -11.023 -6.256) 17.954 21.575 ( 4.291 4.684 1.749) 6.589 21.705 ( 0.227 -1.692 -3.168) 3.599 21.832 ( 0.146 0.650 -1.383) 1.535 21.875 ( -3.515 -1.991 -2.326) 4.661 22.111 ( 7.178 2.515 6.188) 9.805 22.228 ( 1.679 -3.283 7.779) 8.609 ======================= Grid point 110 (61/65) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -0.240 -1.827 2.281) 2.932 1.294 ( -0.240 1.827 2.281) 2.932 1.571 ( -4.926 -1.240 7.184) 8.798 1.571 ( -4.926 1.240 7.184) 8.798 1.926 ( -4.287 -7.732 -6.815) 11.162 1.926 ( -4.287 7.732 -6.815) 11.162 2.136 ( 0.344 -2.599 0.697) 2.713 2.136 ( 0.344 2.599 0.697) 2.713 2.259 ( 1.306 -3.923 2.163) 4.666 2.259 ( 1.306 3.923 2.163) 4.666 2.395 ( -3.185 -4.074 -5.676) 7.679 2.395 ( -3.185 4.074 -5.676) 7.679 2.485 ( 4.916 -7.372 -1.076) 8.926 2.485 ( 4.916 7.372 -1.076) 8.926 2.582 ( -0.768 -2.559 -2.230) 3.480 2.582 ( -0.768 2.559 -2.230) 3.480 2.731 ( 0.223 -2.167 -1.054) 2.420 2.731 ( 0.223 2.167 -1.054) 2.420 2.906 ( 3.425 -2.347 -4.580) 6.182 2.906 ( 3.425 2.347 -4.580) 6.182 3.087 ( 0.245 -3.865 4.682) 6.076 3.087 ( 0.245 3.865 4.682) 6.076 3.251 ( 1.689 -3.543 0.049) 3.925 3.251 ( 1.689 3.543 0.049) 3.925 3.339 ( -1.508 -1.339 0.250) 2.032 3.339 ( -1.508 1.339 0.250) 2.032 3.407 ( -1.099 -6.860 -3.516) 7.786 3.407 ( -1.099 6.860 -3.516) 7.786 3.472 ( 0.878 -5.284 -1.328) 5.519 3.472 ( 0.878 5.284 -1.328) 5.519 3.669 ( 0.777 -3.602 0.704) 3.752 3.669 ( 0.777 3.602 0.704) 3.752 3.802 ( 2.321 -1.734 4.926) 5.715 3.802 ( 2.321 1.734 4.926) 5.715 3.870 ( -1.552 -4.648 -1.264) 5.061 3.870 ( -1.552 4.648 -1.264) 5.061 4.120 ( 0.625 -0.634 2.356) 2.519 4.120 ( 0.625 0.634 2.356) 2.519 4.196 ( 0.211 -1.145 -3.618) 3.801 4.196 ( 0.211 1.145 -3.618) 3.801 4.346 ( -0.104 -2.036 -0.855) 2.211 4.346 ( -0.104 2.036 -0.855) 2.211 4.527 ( -3.480 -1.691 2.536) 4.626 4.527 ( -3.480 1.691 2.536) 4.626 4.571 ( 2.620 -3.555 0.558) 4.451 4.571 ( 2.620 3.555 0.558) 4.451 4.816 ( 3.725 -3.404 1.361) 5.226 4.816 ( 3.725 3.404 1.361) 5.226 4.875 ( -1.117 -4.760 0.408) 4.906 4.875 ( -1.117 4.760 0.408) 4.906 4.980 ( -1.100 -3.933 -0.864) 4.174 4.980 ( -1.100 3.933 -0.864) 4.174 5.137 ( -0.043 -0.627 0.365) 0.727 5.137 ( -0.043 0.627 0.365) 0.727 5.310 ( -2.160 -1.459 2.622) 3.698 5.310 ( -2.160 1.459 2.622) 3.698 5.531 ( 0.541 -3.897 2.825) 4.843 5.531 ( 0.541 3.897 2.825) 4.843 5.652 ( 2.780 -3.629 -0.316) 4.583 5.652 ( 2.780 3.629 -0.316) 4.583 5.701 ( 1.183 -7.276 -3.160) 8.020 5.701 ( 1.183 7.276 -3.160) 8.020 5.802 ( -2.913 -1.888 -2.928) 4.541 5.802 ( -2.913 1.888 -2.928) 4.541 6.035 ( -0.211 -2.138 1.706) 2.744 6.035 ( -0.211 2.138 1.706) 2.744 6.073 ( -1.277 -2.160 -0.403) 2.541 6.073 ( -1.277 2.160 -0.403) 2.541 6.498 ( -0.144 -1.047 0.673) 1.253 6.498 ( -0.144 1.047 0.673) 1.253 6.640 ( -0.119 -1.808 0.572) 1.900 6.640 ( -0.119 1.808 0.572) 1.900 8.266 ( 0.583 -0.857 0.446) 1.128 8.266 ( 0.583 0.857 0.446) 1.128 8.452 ( -0.620 -2.497 -1.184) 2.832 8.452 ( -0.620 2.497 -1.184) 2.832 9.111 ( -1.186 -1.724 -1.627) 2.651 9.111 ( -1.186 1.724 -1.627) 2.651 9.231 ( -1.714 -0.692 -2.062) 2.769 9.231 ( -1.714 0.692 -2.062) 2.769 9.485 ( 1.546 -2.262 0.579) 2.800 9.485 ( 1.546 2.262 0.579) 2.800 9.858 ( -0.401 -0.702 3.202) 3.302 9.858 ( -0.401 0.702 3.202) 3.302 10.016 ( 2.352 -0.933 -1.362) 2.874 10.016 ( 2.352 0.933 -1.362) 2.874 10.370 ( 0.145 -2.354 -0.367) 2.387 10.370 ( 0.145 2.354 -0.367) 2.387 10.603 ( 1.671 -2.235 1.748) 3.293 10.603 ( 1.671 2.235 1.748) 3.293 10.750 ( -2.210 -1.116 1.419) 2.853 10.750 ( -2.210 1.116 1.419) 2.853 19.784 ( 0.578 -2.194 5.748) 6.180 19.784 ( 0.578 2.194 5.748) 6.180 19.979 ( 0.038 -4.083 -6.294) 7.502 19.979 ( 0.038 4.083 -6.294) 7.502 20.299 ( 2.331 -1.825 2.631) 3.961 20.299 ( 2.331 1.825 2.631) 3.961 20.682 ( 1.966 -8.598 -0.388) 8.829 20.682 ( 1.966 8.598 -0.388) 8.829 20.843 ( -7.001 -8.245 -4.732) 11.806 20.843 ( -7.001 8.245 -4.732) 11.806 21.659 ( 0.001 -0.833 -0.996) 1.298 21.659 ( 0.001 0.833 -0.996) 1.298 21.839 ( -0.262 -0.219 0.183) 0.387 21.839 ( -0.262 0.219 0.183) 0.387 22.275 ( 2.245 -1.332 3.081) 4.039 22.275 ( 2.245 1.332 3.081) 4.039 ======================= Grid point 112 (62/65) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 6.959 -3.231 0.813) 7.715 1.383 ( 6.959 3.231 0.813) 7.715 1.614 ( 0.509 -8.487 13.524) 15.974 1.614 ( 0.509 8.487 13.524) 15.974 1.791 ( -4.570 -8.887 3.065) 10.453 1.791 ( -4.570 8.887 3.065) 10.453 2.159 ( 0.421 -3.115 -0.536) 3.188 2.159 ( 0.421 3.115 -0.536) 3.188 2.216 ( -7.025 -4.218 -4.448) 9.323 2.216 ( -7.025 4.218 -4.448) 9.323 2.365 ( 4.229 -5.140 4.258) 7.902 2.365 ( 4.229 5.140 4.258) 7.902 2.528 ( 1.511 -4.812 -5.091) 7.167 2.528 ( 1.511 4.812 -5.091) 7.167 2.633 ( 4.577 -6.896 -0.944) 8.330 2.633 ( 4.577 6.896 -0.944) 8.330 2.742 ( 1.952 -3.752 -0.583) 4.269 2.742 ( 1.952 3.752 -0.583) 4.269 2.912 ( 1.856 -4.926 -6.605) 8.446 2.912 ( 1.856 4.926 -6.605) 8.446 3.101 ( -1.465 -3.836 1.495) 4.370 3.101 ( -1.465 3.836 1.495) 4.370 3.239 ( -1.296 -5.644 -3.520) 6.777 3.239 ( -1.296 5.644 -3.520) 6.777 3.309 ( -3.876 -2.086 5.293) 6.884 3.309 ( -3.876 2.086 5.293) 6.884 3.396 ( 0.536 -3.616 -1.347) 3.895 3.396 ( 0.536 3.616 -1.347) 3.895 3.445 ( 2.045 -2.996 -1.355) 3.873 3.445 ( 2.045 2.996 -1.355) 3.873 3.713 ( -2.316 -5.077 -0.289) 5.588 3.713 ( -2.316 5.077 -0.289) 5.588 3.787 ( 2.771 -5.816 0.113) 6.444 3.787 ( 2.771 5.816 0.113) 6.444 3.894 ( -0.523 -1.734 -1.732) 2.506 3.894 ( -0.523 1.734 -1.732) 2.506 4.065 ( -3.837 -1.847 -2.550) 4.964 4.065 ( -3.837 1.847 -2.550) 4.964 4.200 ( -0.122 -0.778 -0.634) 1.011 4.200 ( -0.122 0.778 -0.634) 1.011 4.387 ( 1.762 -4.164 3.735) 5.865 4.387 ( 1.762 4.164 3.735) 5.865 4.443 ( -2.399 -2.969 -3.168) 4.960 4.443 ( -2.399 2.969 -3.168) 4.960 4.612 ( -1.171 -1.114 1.472) 2.186 4.612 ( -1.171 1.114 1.472) 2.186 4.724 ( -4.919 -1.900 -1.999) 5.639 4.724 ( -4.919 1.900 -1.999) 5.639 4.962 ( 5.736 -7.870 0.552) 9.754 4.962 ( 5.736 7.870 0.552) 9.754 5.031 ( 3.718 -5.102 -0.478) 6.331 5.031 ( 3.718 5.102 -0.478) 6.331 5.105 ( -2.305 -3.217 -0.109) 3.959 5.105 ( -2.305 3.217 -0.109) 3.959 5.300 ( -2.411 -3.026 3.296) 5.083 5.300 ( -2.411 3.026 3.296) 5.083 5.547 ( -1.121 -5.703 1.776) 6.077 5.547 ( -1.121 5.703 1.776) 6.077 5.593 ( -2.613 -4.507 -3.282) 6.157 5.593 ( -2.613 4.507 -3.282) 6.157 5.726 ( 2.966 -1.728 -2.981) 4.546 5.726 ( 2.966 1.728 -2.981) 4.546 5.832 ( 2.320 -0.807 3.889) 4.599 5.832 ( 2.320 0.807 3.889) 4.599 6.012 ( -2.828 -8.125 2.017) 8.836 6.012 ( -2.828 8.125 2.017) 8.836 6.087 ( 2.425 -2.375 -0.179) 3.399 6.087 ( 2.425 2.375 -0.179) 3.399 6.508 ( 0.587 -1.364 0.269) 1.509 6.508 ( 0.587 1.364 0.269) 1.509 6.629 ( -1.191 -2.925 0.387) 3.182 6.629 ( -1.191 2.925 0.387) 3.182 8.286 ( 1.845 -1.839 -0.827) 2.733 8.286 ( 1.845 1.839 -0.827) 2.733 8.420 ( -2.618 -0.627 0.905) 2.840 8.420 ( -2.618 0.627 0.905) 2.840 9.114 ( 1.385 -0.768 1.848) 2.434 9.114 ( 1.385 0.768 1.848) 2.434 9.247 ( 2.837 -3.297 2.739) 5.140 9.247 ( 2.837 3.297 2.739) 5.140 9.493 ( 0.079 -2.415 -2.585) 3.539 9.493 ( 0.079 2.415 -2.585) 3.539 9.845 ( -2.733 -1.343 0.333) 3.063 9.845 ( -2.733 1.343 0.333) 3.063 10.052 ( 3.508 -2.106 -3.737) 5.541 10.052 ( 3.508 2.106 -3.737) 5.541 10.365 ( -0.551 -2.482 -1.028) 2.742 10.365 ( -0.551 2.482 -1.028) 2.742 10.561 ( -4.166 -2.752 -0.822) 5.060 10.561 ( -4.166 2.752 -0.822) 5.060 10.784 ( 2.027 -3.154 3.171) 4.910 10.784 ( 2.027 3.154 3.171) 4.910 19.818 ( -0.522 -1.561 2.198) 2.746 19.818 ( -0.522 1.561 2.198) 2.746 19.917 ( -2.286 -1.366 -3.684) 4.546 19.917 ( -2.286 1.366 -3.684) 4.546 20.208 ( -7.591 -4.684 -2.224) 9.193 20.208 ( -7.591 4.684 -2.224) 9.193 20.676 ( -1.396 -8.795 -2.633) 9.286 20.676 ( -1.396 8.795 -2.633) 9.286 20.944 ( 11.482 -9.389 9.950) 17.861 20.944 ( 11.482 9.389 9.950) 17.861 21.647 ( -0.745 -1.186 -0.653) 1.545 21.647 ( -0.745 1.186 -0.653) 1.545 21.833 ( -0.376 -1.132 0.630) 1.349 21.833 ( -0.376 1.132 0.630) 1.349 22.282 ( -1.535 -4.670 -3.562) 6.070 22.282 ( -1.535 4.670 -3.562) 6.070 ======================= Grid point 114 (63/65) ======================= q-point: ( 0.40 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 3.800 -5.153 5.299) 8.311 1.514 ( 3.800 5.153 5.299) 8.311 1.697 ( -3.042 -11.534 13.524) 18.033 1.697 ( -3.042 11.534 13.524) 18.033 1.862 ( 7.229 -9.911 -2.282) 12.478 1.862 ( 7.229 9.911 -2.282) 12.478 2.041 ( -6.680 -2.357 -1.638) 7.270 2.041 ( -6.680 2.357 -1.638) 7.270 2.181 ( 2.341 -1.431 3.628) 4.549 2.181 ( 2.341 1.431 3.628) 4.549 2.437 ( 0.275 -3.495 -3.914) 5.255 2.437 ( 0.275 3.495 -3.914) 5.255 2.542 ( 2.472 -4.732 -0.940) 5.421 2.542 ( 2.472 4.732 -0.940) 5.421 2.711 ( 4.658 -6.602 4.007) 9.019 2.711 ( 4.658 6.602 4.007) 9.019 2.757 ( 0.096 -3.620 -2.446) 4.370 2.757 ( 0.096 3.620 -2.446) 4.370 2.881 ( 0.103 -3.046 -6.447) 7.131 2.881 ( 0.103 3.046 -6.447) 7.131 3.055 ( -3.868 -1.829 -1.480) 4.527 3.055 ( -3.868 1.829 -1.480) 4.527 3.198 ( -1.607 -3.472 1.116) 3.985 3.198 ( -1.607 3.472 1.116) 3.985 3.282 ( -0.313 -6.087 1.196) 6.212 3.282 ( -0.313 6.087 1.196) 6.212 3.422 ( 1.753 -4.595 2.910) 5.715 3.422 ( 1.753 4.595 2.910) 5.715 3.538 ( 5.866 -1.692 1.198) 6.221 3.538 ( 5.866 1.692 1.198) 6.221 3.653 ( -2.470 -4.276 1.628) 5.199 3.653 ( -2.470 4.276 1.628) 5.199 3.798 ( -2.768 -2.723 -10.057) 10.781 3.798 ( -2.768 2.723 -10.057) 10.781 3.855 ( 2.098 -2.787 -0.684) 3.555 3.855 ( 2.098 2.787 -0.684) 3.555 3.940 ( -5.772 -1.522 -4.374) 7.400 3.940 ( -5.772 1.522 -4.374) 7.400 4.166 ( -3.902 -1.002 -3.776) 5.522 4.166 ( -3.902 1.002 -3.776) 5.522 4.317 ( -2.063 -0.240 2.926) 3.588 4.317 ( -2.063 0.240 2.926) 3.588 4.516 ( 3.091 -2.831 -1.168) 4.351 4.516 ( 3.091 2.831 -1.168) 4.351 4.579 ( 0.150 -2.592 1.304) 2.905 4.579 ( 0.150 2.592 1.304) 2.905 4.685 ( -0.078 -0.482 -1.708) 1.777 4.685 ( -0.078 0.482 -1.708) 1.777 5.024 ( -1.059 -9.570 2.242) 9.886 5.024 ( -1.059 9.570 2.242) 9.886 5.076 ( -0.089 -5.302 -0.349) 5.315 5.076 ( -0.089 5.302 -0.349) 5.315 5.109 ( 5.723 -2.180 -1.014) 6.208 5.109 ( 5.723 2.180 -1.014) 6.208 5.247 ( -4.854 -2.084 1.183) 5.413 5.247 ( -4.854 2.084 1.183) 5.413 5.501 ( -2.320 -6.785 2.961) 7.758 5.501 ( -2.320 6.785 2.961) 7.758 5.614 ( 3.343 -5.166 -2.731) 6.733 5.614 ( 3.343 5.166 -2.731) 6.733 5.740 ( 0.342 -3.271 -0.084) 3.290 5.740 ( 0.342 3.271 -0.084) 3.290 5.872 ( -3.648 -1.036 7.771) 8.646 5.872 ( -3.648 1.036 7.771) 8.646 5.991 ( 1.593 -5.930 -1.706) 6.373 5.991 ( 1.593 5.930 -1.706) 6.373 6.132 ( 2.013 -1.115 -1.331) 2.659 6.132 ( 2.013 1.115 -1.331) 2.659 6.517 ( 0.279 -1.535 -0.210) 1.575 6.517 ( 0.279 1.535 -0.210) 1.575 6.611 ( -0.820 -2.204 0.450) 2.394 6.611 ( -0.820 2.204 0.450) 2.394 8.325 ( 2.296 -1.970 -1.373) 3.323 8.325 ( 2.296 1.970 -1.373) 3.323 8.373 ( -2.376 -1.519 1.824) 3.358 8.373 ( -2.376 1.519 1.824) 3.358 9.184 ( 2.877 -0.807 5.210) 6.006 9.184 ( 2.877 0.807 5.210) 6.006 9.343 ( 2.353 -3.032 3.567) 5.240 9.343 ( 2.353 3.032 3.567) 5.240 9.467 ( 0.846 -2.054 -2.052) 3.025 9.467 ( 0.846 2.054 -2.052) 3.025 9.746 ( -4.903 -4.836 -5.995) 9.130 9.746 ( -4.903 4.836 -5.995) 9.130 10.108 ( 3.900 -2.063 -0.844) 4.492 10.108 ( 3.900 2.063 -0.844) 4.492 10.301 ( -3.643 -1.407 -4.151) 5.699 10.301 ( -3.643 1.407 -4.151) 5.699 10.516 ( -0.831 -1.477 1.831) 2.495 10.516 ( -0.831 1.477 1.831) 2.495 10.826 ( 0.208 -1.861 1.932) 2.691 10.826 ( 0.208 1.861 1.932) 2.691 19.803 ( -3.087 -3.035 2.533) 5.015 19.803 ( -3.087 3.035 2.533) 5.015 19.856 ( 0.409 -2.116 -4.065) 4.601 19.856 ( 0.409 2.116 -4.065) 4.601 20.095 ( -2.290 -3.258 -1.906) 4.415 20.095 ( -2.290 3.258 -1.906) 4.415 20.634 ( -0.957 -3.403 -1.484) 3.834 20.634 ( -0.957 3.403 -1.484) 3.834 21.247 ( 8.687 -8.218 13.469) 18.012 21.247 ( 8.687 8.218 13.469) 18.012 21.615 ( -1.207 -2.816 -2.470) 3.935 21.615 ( -1.207 2.816 -2.470) 3.935 21.853 ( 1.578 -2.480 2.648) 3.956 21.853 ( 1.578 2.480 2.648) 3.956 22.171 ( -4.679 -6.095 -8.445) 11.418 22.171 ( -4.679 6.095 -8.445) 11.418 ======================= Grid point 116 (64/65) ======================= q-point: (-0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -8.364 -6.831 5.992) 12.350 1.568 ( -8.364 6.831 5.992) 12.350 1.685 ( 0.166 -11.350 5.077) 12.435 1.685 ( 0.166 11.350 5.077) 12.435 1.857 ( -3.603 -4.751 -0.845) 6.023 1.857 ( -3.603 4.751 -0.845) 6.023 2.072 ( 9.540 -10.268 -1.595) 14.106 2.072 ( 9.540 10.268 -1.595) 14.106 2.269 ( -1.443 -3.325 1.175) 3.810 2.269 ( -1.443 3.325 1.175) 3.810 2.405 ( 5.503 -3.382 -8.474) 10.655 2.405 ( 5.503 3.382 -8.474) 10.655 2.547 ( -1.975 -2.935 0.229) 3.544 2.547 ( -1.975 2.935 0.229) 3.544 2.723 ( -1.881 -5.170 -1.923) 5.828 2.723 ( -1.881 5.171 -1.923) 5.828 2.774 ( 0.081 -3.554 1.591) 3.895 2.774 ( 0.081 3.554 1.591) 3.895 2.905 ( -1.428 -4.217 -4.117) 6.064 2.905 ( -1.428 4.217 -4.117) 6.064 2.963 ( 1.647 -6.838 2.834) 7.583 2.963 ( 1.647 6.838 2.834) 7.583 3.195 ( 0.277 -1.098 1.779) 2.109 3.195 ( 0.277 1.098 1.779) 2.109 3.304 ( 2.346 -3.214 -1.427) 4.227 3.304 ( 2.346 3.214 -1.427) 4.227 3.444 ( -4.379 -3.230 2.838) 6.137 3.444 ( -4.379 3.230 2.838) 6.137 3.580 ( -4.220 -1.707 -2.911) 5.403 3.580 ( -4.220 1.707 -2.911) 5.403 3.615 ( -0.617 -2.623 1.824) 3.254 3.615 ( -0.617 2.623 1.824) 3.254 3.761 ( 6.060 -4.104 -6.617) 9.867 3.761 ( 6.060 4.104 -6.617) 9.867 3.832 ( 0.096 -4.888 1.800) 5.209 3.832 ( 0.096 4.888 1.800) 5.209 3.904 ( 2.477 -2.722 0.181) 3.685 3.904 ( 2.477 2.722 0.181) 3.685 4.125 ( 3.907 -3.470 -1.283) 5.381 4.125 ( 3.907 3.470 -1.283) 5.381 4.336 ( 0.646 -1.321 1.662) 2.219 4.336 ( 0.646 1.321 1.662) 2.219 4.517 ( -1.072 -0.887 -1.193) 1.833 4.517 ( -1.072 0.887 -1.193) 1.833 4.601 ( -0.042 -1.563 -0.404) 1.615 4.601 ( -0.042 1.563 -0.404) 1.615 4.669 ( 0.106 -0.860 -0.978) 1.307 4.669 ( 0.106 0.860 -0.978) 1.307 5.030 ( -1.164 -8.693 3.815) 9.565 5.030 ( -1.164 8.693 3.815) 9.565 5.065 ( -0.343 -11.479 -1.886) 11.638 5.065 ( -0.343 11.479 -1.886) 11.638 5.103 ( -5.790 -3.315 0.118) 6.672 5.103 ( -5.790 3.315 0.118) 6.672 5.242 ( 4.351 -0.545 1.074) 4.515 5.242 ( 4.351 0.545 1.074) 4.515 5.512 ( -0.003 -7.734 3.278) 8.400 5.512 ( -0.003 7.734 3.278) 8.400 5.626 ( 1.359 -5.202 -5.639) 7.792 5.626 ( 1.359 5.202 -5.639) 7.792 5.744 ( -1.776 -0.738 1.136) 2.234 5.744 ( -1.776 0.738 1.136) 2.234 5.849 ( -2.983 -3.072 9.151) 10.104 5.849 ( -2.983 3.072 9.151) 10.104 6.024 ( 2.868 -4.011 -4.617) 6.755 6.024 ( 2.868 4.011 -4.617) 6.755 6.139 ( 0.266 -2.122 -1.614) 2.679 6.139 ( 0.266 2.122 -1.614) 2.679 6.509 ( -1.089 -1.439 0.517) 1.877 6.509 ( -1.089 1.439 0.517) 1.877 6.612 ( 0.534 -1.542 0.348) 1.668 6.612 ( 0.534 1.542 0.348) 1.668 8.296 ( -3.216 -1.698 1.398) 3.897 8.296 ( -3.216 1.698 1.398) 3.897 8.409 ( 3.744 -3.621 -1.558) 5.437 8.409 ( 3.744 3.621 -1.558) 5.437 9.265 ( -1.148 -2.690 2.601) 3.914 9.265 ( -1.148 2.690 2.601) 3.914 9.331 ( 1.329 -2.193 -2.239) 3.404 9.331 ( 1.329 2.193 -2.239) 3.404 9.491 ( -4.858 -4.921 1.676) 7.116 9.491 ( -4.858 4.921 1.676) 7.116 9.668 ( 5.137 -4.794 -3.102) 7.681 9.668 ( 5.137 4.794 -3.102) 7.681 10.099 ( -5.684 -1.262 1.097) 5.925 10.099 ( -5.684 1.262 1.097) 5.925 10.280 ( 5.326 -3.230 -2.852) 6.851 10.280 ( 5.326 3.230 -2.852) 6.851 10.517 ( -1.025 -0.959 2.020) 2.460 10.517 ( -1.025 0.959 2.020) 2.460 10.827 ( -1.203 -1.264 1.520) 2.314 10.827 ( -1.203 1.264 1.520) 2.314 19.743 ( -4.011 -3.309 3.714) 6.390 19.743 ( -4.011 3.309 3.714) 6.390 19.913 ( 7.646 -4.848 -4.627) 10.167 19.913 ( 7.646 4.848 -4.627) 10.167 20.074 ( 0.710 -0.727 -0.342) 1.072 20.074 ( 0.710 0.727 -0.342) 1.072 20.626 ( 0.938 -1.185 -0.607) 1.628 20.626 ( 0.938 1.185 -0.607) 1.628 21.364 ( -6.404 -6.428 4.942) 10.332 21.364 ( -6.404 6.428 4.942) 10.332 21.606 ( 3.839 -5.017 -2.954) 6.974 21.606 ( 3.839 5.017 -2.954) 6.974 21.900 ( -1.501 -2.203 1.133) 2.897 21.900 ( -1.501 2.203 1.133) 2.897 22.056 ( 0.996 -3.011 -1.589) 3.548 22.056 ( 0.996 3.011 -1.589) 3.548 ======================= Grid point 118 (65/65) ======================= q-point: (-0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( -9.623 -6.982 0.543) 11.902 1.384 ( -9.623 6.982 0.543) 11.902 1.645 ( -7.019 -5.653 6.072) 10.868 1.645 ( -7.019 5.653 6.072) 10.868 1.942 ( 7.487 -6.268 -1.794) 9.928 1.942 ( 7.487 6.268 -1.794) 9.928 2.145 ( -0.980 -8.849 -4.638) 10.039 2.145 ( -0.980 8.849 -4.638) 10.039 2.225 ( 2.187 -1.672 -1.754) 3.264 2.225 ( 2.187 1.672 -1.754) 3.264 2.437 ( 0.654 -6.605 0.344) 6.647 2.437 ( 0.654 6.605 0.344) 6.647 2.503 ( -1.958 -5.500 -6.660) 8.856 2.503 ( -1.958 5.500 -6.660) 8.856 2.658 ( -4.101 -3.699 -2.898) 6.237 2.658 ( -4.101 3.699 -2.898) 6.237 2.751 ( -1.594 -5.689 -1.251) 6.039 2.751 ( -1.594 5.689 -1.251) 6.039 2.849 ( 3.413 -5.820 -2.384) 7.155 2.849 ( 3.413 5.820 -2.384) 7.155 3.053 ( 0.566 -2.764 4.958) 5.705 3.053 ( 0.566 2.764 4.958) 5.705 3.215 ( 0.941 -1.998 -0.150) 2.214 3.215 ( 0.941 1.998 -0.150) 2.214 3.340 ( 1.152 -2.808 0.917) 3.170 3.340 ( 1.152 2.808 0.917) 3.170 3.401 ( 2.445 -3.205 0.214) 4.037 3.401 ( 2.445 3.205 0.214) 4.037 3.486 ( -3.041 -2.544 -3.426) 5.240 3.486 ( -3.041 2.544 -3.426) 5.240 3.659 ( 1.585 -1.234 5.002) 5.390 3.659 ( 1.585 1.234 5.002) 5.390 3.753 ( -1.655 -3.705 -1.228) 4.240 3.753 ( -1.655 3.705 -1.228) 4.240 3.881 ( 1.650 -6.150 -0.213) 6.371 3.881 ( 1.650 6.150 -0.213) 6.371 4.021 ( 7.022 -2.709 1.549) 7.685 4.021 ( 7.022 2.709 1.549) 7.685 4.220 ( 1.970 -3.214 0.421) 3.793 4.220 ( 1.970 3.214 0.421) 3.793 4.363 ( -0.102 -4.480 1.675) 4.784 4.363 ( -0.102 4.480 1.675) 4.784 4.472 ( 1.733 -2.206 -2.598) 3.823 4.472 ( 1.733 2.206 -2.598) 3.823 4.593 ( -2.103 -0.895 2.477) 3.370 4.593 ( -2.103 0.895 2.477) 3.370 4.703 ( 4.612 -0.817 -0.349) 4.697 4.703 ( 4.612 0.817 -0.349) 4.697 4.932 ( -6.459 -9.615 1.911) 11.739 4.932 ( -6.459 9.615 1.911) 11.739 5.047 ( -2.350 -4.742 -0.951) 5.377 5.047 ( -2.350 4.742 -0.951) 5.377 5.101 ( 2.707 -2.811 0.268) 3.911 5.101 ( 2.707 2.811 0.268) 3.911 5.315 ( 1.570 -4.695 1.647) 5.217 5.315 ( 1.570 4.695 1.647) 5.217 5.512 ( -1.929 -1.862 2.452) 3.633 5.512 ( -1.929 1.862 2.452) 3.633 5.617 ( 1.778 -2.576 -2.706) 4.137 5.617 ( 1.778 2.576 -2.706) 4.137 5.704 ( -1.942 -2.615 1.260) 3.492 5.704 ( -1.942 2.615 1.260) 3.492 5.874 ( -0.721 -4.412 0.436) 4.492 5.874 ( -0.721 4.412 0.436) 4.492 6.022 ( 0.242 -4.288 -1.057) 4.423 6.022 ( 0.242 4.288 -1.057) 4.423 6.116 ( -1.308 -4.026 -2.299) 4.817 6.116 ( -1.308 4.026 -2.299) 4.817 6.499 ( -0.506 -2.173 0.989) 2.440 6.499 ( -0.506 2.173 0.989) 2.440 6.628 ( 0.713 -1.778 0.467) 1.972 6.628 ( 0.713 1.778 0.467) 1.972 8.262 ( -1.142 -0.664 1.160) 1.758 8.262 ( -1.142 0.664 1.160) 1.758 8.453 ( 1.988 -3.835 -2.013) 4.766 8.453 ( 1.988 3.835 -2.013) 4.766 9.181 ( -3.628 -2.406 -3.875) 5.828 9.181 ( -3.628 2.406 -3.875) 5.828 9.328 ( -4.607 -3.291 -4.350) 7.140 9.328 ( -4.607 3.291 -4.350) 7.140 9.431 ( 2.085 -1.576 2.642) 3.717 9.431 ( 2.085 1.576 2.642) 3.717 9.797 ( 4.698 -2.969 3.595) 6.619 9.797 ( 4.698 2.969 3.595) 6.619 10.012 ( -2.864 -0.169 1.152) 3.092 10.012 ( -2.864 0.169 1.152) 3.092 10.356 ( 2.520 -3.371 -0.759) 4.276 10.356 ( 2.520 3.371 -0.759) 4.276 10.531 ( 1.800 -3.126 2.518) 4.399 10.531 ( 1.800 3.126 2.518) 4.399 10.801 ( -2.708 -2.092 1.039) 3.577 10.801 ( -2.708 2.092 1.039) 3.577 19.735 ( -0.549 -2.563 5.517) 6.108 19.735 ( -0.549 2.563 5.517) 6.108 19.997 ( 3.862 -5.977 -6.833) 9.865 19.997 ( 3.862 5.977 -6.833) 9.865 20.149 ( 6.992 -2.830 2.990) 8.114 20.149 ( 6.992 2.830 2.990) 8.114 20.653 ( 1.717 -6.594 0.031) 6.814 20.653 ( 1.717 6.594 0.031) 6.814 21.132 ( -14.266 -9.356 -7.087) 18.474 21.132 ( -14.266 9.356 -7.087) 18.474 21.656 ( 1.879 -3.554 -1.684) 4.359 21.656 ( 1.879 3.554 -1.684) 4.359 21.848 ( -1.147 -1.033 -0.909) 1.791 21.848 ( -1.147 1.033 -0.909) 1.791 22.166 ( 4.620 -3.211 6.992) 8.975 22.166 ( 4.620 3.211 6.992) 8.975 =================== 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 3/21600 10.0 28.950 35.768 39.317 0.000 0.871 0.000 3/21600 20.0 7.684 10.619 10.234 0.000 0.134 0.000 3/21600 30.0 3.547 5.016 4.704 0.000 -0.056 0.000 3/21600 40.0 2.194 3.094 2.890 0.000 -0.069 0.000 3/21600 50.0 1.581 2.205 2.064 0.000 -0.064 0.000 3/21600 60.0 1.242 1.713 1.608 0.000 -0.058 0.000 3/21600 70.0 1.029 1.406 1.322 0.000 -0.053 0.000 3/21600 80.0 0.882 1.197 1.127 0.000 -0.048 0.000 3/21600 90.0 0.774 1.045 0.984 0.000 -0.045 0.000 3/21600 100.0 0.692 0.930 0.876 0.000 -0.041 0.000 3/21600 110.0 0.626 0.840 0.791 0.000 -0.038 0.000 3/21600 120.0 0.573 0.767 0.723 0.000 -0.035 0.000 3/21600 130.0 0.529 0.708 0.666 0.000 -0.033 0.000 3/21600 140.0 0.492 0.657 0.619 0.000 -0.030 0.000 3/21600 150.0 0.461 0.615 0.578 0.000 -0.028 0.000 3/21600 160.0 0.434 0.578 0.544 0.000 -0.026 0.000 3/21600 170.0 0.410 0.546 0.514 0.000 -0.024 0.000 3/21600 180.0 0.389 0.518 0.487 0.000 -0.022 0.000 3/21600 190.0 0.371 0.493 0.464 0.000 -0.021 0.000 3/21600 200.0 0.354 0.471 0.443 0.000 -0.019 0.000 3/21600 210.0 0.339 0.451 0.424 0.000 -0.018 0.000 3/21600 220.0 0.326 0.433 0.407 0.000 -0.016 0.000 3/21600 230.0 0.314 0.417 0.392 0.000 -0.015 0.000 3/21600 240.0 0.303 0.402 0.378 0.000 -0.014 0.000 3/21600 250.0 0.292 0.388 0.365 0.000 -0.013 0.000 3/21600 260.0 0.283 0.375 0.353 0.000 -0.012 0.000 3/21600 270.0 0.274 0.363 0.342 0.000 -0.011 0.000 3/21600 280.0 0.266 0.352 0.332 0.000 -0.010 0.000 3/21600 290.0 0.258 0.342 0.322 0.000 -0.009 0.000 3/21600 300.0 0.251 0.332 0.313 0.000 -0.008 0.000 3/21600 310.0 0.244 0.323 0.304 0.000 -0.008 0.000 3/21600 320.0 0.238 0.315 0.296 0.000 -0.007 0.000 3/21600 330.0 0.232 0.307 0.289 0.000 -0.007 0.000 3/21600 340.0 0.226 0.299 0.281 0.000 -0.006 0.000 3/21600 350.0 0.220 0.292 0.275 0.000 -0.006 0.000 3/21600 360.0 0.215 0.285 0.268 0.000 -0.005 0.000 3/21600 370.0 0.210 0.278 0.262 0.000 -0.005 0.000 3/21600 380.0 0.206 0.272 0.256 0.000 -0.004 0.000 3/21600 390.0 0.201 0.266 0.250 0.000 -0.004 0.000 3/21600 400.0 0.197 0.260 0.245 0.000 -0.004 0.000 3/21600 410.0 0.193 0.255 0.240 0.000 -0.003 0.000 3/21600 420.0 0.189 0.250 0.235 0.000 -0.003 0.000 3/21600 430.0 0.185 0.245 0.230 0.000 -0.003 0.000 3/21600 440.0 0.181 0.240 0.226 0.000 -0.003 0.000 3/21600 450.0 0.178 0.235 0.221 0.000 -0.002 0.000 3/21600 460.0 0.174 0.231 0.217 0.000 -0.002 0.000 3/21600 470.0 0.171 0.226 0.213 0.000 -0.002 0.000 3/21600 480.0 0.168 0.222 0.209 0.000 -0.002 0.000 3/21600 490.0 0.165 0.218 0.205 0.000 -0.002 0.000 3/21600 500.0 0.162 0.214 0.202 0.000 -0.001 0.000 3/21600 510.0 0.159 0.210 0.198 0.000 -0.001 0.000 3/21600 520.0 0.156 0.207 0.195 0.000 -0.001 0.000 3/21600 530.0 0.154 0.203 0.191 0.000 -0.001 0.000 3/21600 540.0 0.151 0.200 0.188 0.000 -0.001 0.000 3/21600 550.0 0.149 0.197 0.185 0.000 -0.001 0.000 3/21600 560.0 0.146 0.193 0.182 0.000 -0.001 0.000 3/21600 570.0 0.144 0.190 0.179 0.000 -0.001 0.000 3/21600 580.0 0.142 0.187 0.176 0.000 -0.000 0.000 3/21600 590.0 0.140 0.185 0.174 0.000 -0.000 0.000 3/21600 600.0 0.137 0.182 0.171 0.000 -0.000 0.000 3/21600 610.0 0.135 0.179 0.169 0.000 -0.000 0.000 3/21600 620.0 0.133 0.176 0.166 0.000 -0.000 0.000 3/21600 630.0 0.131 0.174 0.164 0.000 -0.000 0.000 3/21600 640.0 0.130 0.171 0.161 0.000 -0.000 0.000 3/21600 650.0 0.128 0.169 0.159 0.000 0.000 0.000 3/21600 660.0 0.126 0.167 0.157 0.000 0.000 0.000 3/21600 670.0 0.124 0.164 0.155 0.000 0.000 0.000 3/21600 680.0 0.123 0.162 0.153 0.000 0.000 0.000 3/21600 690.0 0.121 0.160 0.150 0.000 0.000 0.000 3/21600 700.0 0.119 0.158 0.149 0.000 0.000 0.000 3/21600 710.0 0.118 0.156 0.147 0.000 0.000 0.000 3/21600 720.0 0.116 0.154 0.145 0.000 0.000 0.000 3/21600 730.0 0.115 0.152 0.143 0.000 0.000 0.000 3/21600 740.0 0.113 0.150 0.141 0.000 0.000 0.000 3/21600 750.0 0.112 0.148 0.139 0.000 0.000 0.000 3/21600 760.0 0.111 0.146 0.138 0.000 0.000 0.000 3/21600 770.0 0.109 0.144 0.136 0.000 0.000 0.000 3/21600 780.0 0.108 0.143 0.134 0.000 0.000 0.000 3/21600 790.0 0.107 0.141 0.133 0.000 0.000 0.000 3/21600 800.0 0.105 0.139 0.131 0.000 0.001 0.000 3/21600 810.0 0.104 0.138 0.130 0.000 0.001 0.000 3/21600 820.0 0.103 0.136 0.128 0.000 0.001 0.000 3/21600 830.0 0.102 0.134 0.127 0.000 0.001 0.000 3/21600 840.0 0.101 0.133 0.125 0.000 0.001 0.000 3/21600 850.0 0.099 0.131 0.124 0.000 0.001 0.000 3/21600 860.0 0.098 0.130 0.122 0.000 0.001 0.000 3/21600 870.0 0.097 0.129 0.121 0.000 0.001 0.000 3/21600 880.0 0.096 0.127 0.120 0.000 0.001 0.000 3/21600 890.0 0.095 0.126 0.118 0.000 0.001 0.000 3/21600 900.0 0.094 0.124 0.117 0.000 0.001 0.000 3/21600 910.0 0.093 0.123 0.116 0.000 0.001 0.000 3/21600 920.0 0.092 0.122 0.115 0.000 0.001 0.000 3/21600 930.0 0.091 0.121 0.114 0.000 0.001 0.000 3/21600 940.0 0.090 0.119 0.112 0.000 0.001 0.000 3/21600 950.0 0.089 0.118 0.111 0.000 0.001 0.000 3/21600 960.0 0.089 0.117 0.110 0.000 0.001 0.000 3/21600 970.0 0.088 0.116 0.109 0.000 0.001 0.000 3/21600 980.0 0.087 0.115 0.108 0.000 0.001 0.000 3/21600 990.0 0.086 0.114 0.107 0.000 0.001 0.000 3/21600 1000.0 0.085 0.113 0.106 0.000 0.001 0.000 3/21600 Thermal conductivity related properties were written into "kappa-m585.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:06:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|