----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:56:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.888171970000000 -3.851915815000000 0.000000000000000 b 4.888171970000000 3.851915815000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.739771250000000 Atomic positions (fractional): *1 Si 0.58158348573344 0.67132899148624 0.22661926573978 28.085 2 Si 0.91841651426656 0.82867100851376 0.72661926573978 28.085 3 Si 0.82867100851376 0.91841651426656 0.27338073426022 28.085 4 Si 0.67132899148624 0.58158348573344 0.77338073426022 28.085 5 Si 0.41841651426656 0.32867100851376 0.77338073426022 28.085 6 Si 0.08158348573344 0.17132899148624 0.27338073426022 28.085 7 Si 0.17132899148624 0.08158348573344 0.72661926573978 28.085 8 Si 0.32867100851376 0.41841651426656 0.22661926573978 28.085 *9 Si 0.85469454370240 0.40199201695352 0.05009861379571 28.085 10 Si 0.64530545629761 0.09800798304648 0.55009861379571 28.085 11 Si 0.09800798304648 0.64530545629761 0.44990138620429 28.085 12 Si 0.40199201695352 0.85469454370240 0.94990138620429 28.085 13 Si 0.14530545629760 0.59800798304648 0.94990138620429 28.085 14 Si 0.35469454370240 0.90199201695352 0.44990138620429 28.085 15 Si 0.90199201695352 0.35469454370239 0.55009861379571 28.085 16 Si 0.59800798304648 0.14530545629761 0.05009861379571 28.085 *17 Fe 0.80779257752441 0.19220742247559 0.81251832118537 55.845 18 Fe 0.69220742247559 0.30779257752441 0.31251832118537 55.845 19 Fe 0.30779257752441 0.69220742247559 0.68748167881463 55.845 20 Fe 0.19220742247559 0.80779257752441 0.18748167881463 55.845 *21 Fe 0.71617202584819 0.71617202584819 0.50000000000000 55.845 22 Fe 0.78382797415181 0.78382797415181 0.00000000000000 55.845 23 Fe 0.28382797415181 0.28382797415181 0.50000000000000 55.845 24 Fe 0.21617202584819 0.21617202584819 0.00000000000000 55.845 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.776343940000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.703831630000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.739771250000000 Atomic positions (fractional): *1 Si 0.62645623860984 0.04487275287640 0.22661926573978 28.085 > 1 2 Si 0.87354376139016 0.95512724712360 0.72661926573978 28.085 > 2 3 Si 0.87354376139016 0.04487275287640 0.27338073426022 28.085 > 3 4 Si 0.62645623860984 0.95512724712360 0.77338073426022 28.085 > 4 5 Si 0.37354376139016 0.95512724712360 0.77338073426022 28.085 > 5 6 Si 0.12645623860984 0.04487275287640 0.27338073426022 28.085 > 6 7 Si 0.12645623860984 0.95512724712360 0.72661926573978 28.085 > 7 8 Si 0.37354376139016 0.04487275287640 0.22661926573978 28.085 > 8 *9 Si 0.62834328032796 0.77364873662556 0.05009861379571 28.085 > 9 10 Si 0.37165671967204 0.72635126337444 0.55009861379571 28.085 > 10 11 Si 0.37165671967204 0.27364873662556 0.44990138620429 28.085 > 11 12 Si 0.62834328032796 0.22635126337444 0.94990138620429 28.085 > 12 13 Si 0.37165671967204 0.22635126337444 0.94990138620429 28.085 > 13 14 Si 0.62834328032796 0.27364873662556 0.44990138620429 28.085 > 14 15 Si 0.62834328032796 0.72635126337444 0.55009861379571 28.085 > 15 16 Si 0.37165671967204 0.77364873662556 0.05009861379571 28.085 > 16 17 Si 0.12645623860984 0.54487275287640 0.22661926573978 28.085 > 1 18 Si 0.37354376139016 0.45512724712360 0.72661926573978 28.085 > 2 19 Si 0.37354376139016 0.54487275287640 0.27338073426022 28.085 > 3 20 Si 0.12645623860984 0.45512724712360 0.77338073426022 28.085 > 4 21 Si 0.87354376139016 0.45512724712360 0.77338073426022 28.085 > 5 22 Si 0.62645623860984 0.54487275287640 0.27338073426022 28.085 > 6 23 Si 0.62645623860984 0.45512724712360 0.72661926573978 28.085 > 7 24 Si 0.87354376139016 0.54487275287640 0.22661926573978 28.085 > 8 25 Si 0.12834328032796 0.27364873662556 0.05009861379571 28.085 > 9 26 Si 0.87165671967204 0.22635126337444 0.55009861379571 28.085 > 10 27 Si 0.87165671967204 0.77364873662556 0.44990138620429 28.085 > 11 28 Si 0.12834328032796 0.72635126337444 0.94990138620429 28.085 > 12 29 Si 0.87165671967204 0.72635126337444 0.94990138620429 28.085 > 13 30 Si 0.12834328032796 0.77364873662556 0.44990138620429 28.085 > 14 31 Si 0.12834328032796 0.22635126337444 0.55009861379571 28.085 > 15 32 Si 0.87165671967204 0.27364873662556 0.05009861379571 28.085 > 16 *33 Fe 0.50000000000000 0.69220742247559 0.81251832118537 55.845 > 17 34 Fe 0.50000000000000 0.80779257752441 0.31251832118537 55.845 > 18 35 Fe 0.50000000000000 0.19220742247559 0.68748167881463 55.845 > 19 36 Fe 0.50000000000000 0.30779257752441 0.18748167881463 55.845 > 20 *37 Fe 0.71617202584819 0.00000000000000 0.50000000000000 55.845 > 21 38 Fe 0.78382797415181 0.00000000000000 0.00000000000000 55.845 > 22 39 Fe 0.28382797415181 0.00000000000000 0.50000000000000 55.845 > 23 40 Fe 0.21617202584819 0.00000000000000 0.00000000000000 55.845 > 24 41 Fe 0.00000000000000 0.19220742247559 0.81251832118537 55.845 > 17 42 Fe 0.00000000000000 0.30779257752441 0.31251832118537 55.845 > 18 43 Fe 0.00000000000000 0.69220742247559 0.68748167881463 55.845 > 19 44 Fe 0.00000000000000 0.80779257752441 0.18748167881463 55.845 > 20 45 Fe 0.21617202584819 0.50000000000000 0.50000000000000 55.845 > 21 46 Fe 0.28382797415181 0.50000000000000 0.00000000000000 55.845 > 22 47 Fe 0.78382797415181 0.50000000000000 0.50000000000000 55.845 > 23 48 Fe 0.71617202584819 0.50000000000000 0.00000000000000 55.845 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.776343940000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.407663260000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.739771250000000 Atomic positions (fractional): *1 Si 0.62645623860984 0.02243637643820 0.22661926573978 28.085 > 1 2 Si 0.62645623860984 0.52243637643820 0.22661926573978 28.085 > 1 3 Si 0.87354376139016 0.47756362356180 0.72661926573978 28.085 > 2 4 Si 0.87354376139016 0.97756362356180 0.72661926573978 28.085 > 2 5 Si 0.87354376139016 0.02243637643820 0.27338073426022 28.085 > 3 6 Si 0.87354376139016 0.52243637643820 0.27338073426022 28.085 > 3 7 Si 0.62645623860984 0.47756362356180 0.77338073426022 28.085 > 4 8 Si 0.62645623860984 0.97756362356180 0.77338073426022 28.085 > 4 9 Si 0.37354376139016 0.47756362356180 0.77338073426022 28.085 > 5 10 Si 0.37354376139016 0.97756362356180 0.77338073426022 28.085 > 5 11 Si 0.12645623860984 0.02243637643820 0.27338073426022 28.085 > 6 12 Si 0.12645623860984 0.52243637643820 0.27338073426022 28.085 > 6 13 Si 0.12645623860984 0.47756362356180 0.72661926573978 28.085 > 7 14 Si 0.12645623860984 0.97756362356180 0.72661926573978 28.085 > 7 15 Si 0.37354376139016 0.02243637643820 0.22661926573978 28.085 > 8 16 Si 0.37354376139016 0.52243637643820 0.22661926573978 28.085 > 8 *17 Si 0.62834328032796 0.38682436831278 0.05009861379571 28.085 > 9 18 Si 0.62834328032796 0.88682436831278 0.05009861379571 28.085 > 9 19 Si 0.37165671967204 0.36317563168722 0.55009861379571 28.085 > 10 20 Si 0.37165671967204 0.86317563168722 0.55009861379571 28.085 > 10 21 Si 0.37165671967204 0.13682436831278 0.44990138620429 28.085 > 11 22 Si 0.37165671967204 0.63682436831278 0.44990138620429 28.085 > 11 23 Si 0.62834328032796 0.11317563168722 0.94990138620429 28.085 > 12 24 Si 0.62834328032796 0.61317563168722 0.94990138620429 28.085 > 12 25 Si 0.37165671967204 0.11317563168722 0.94990138620429 28.085 > 13 26 Si 0.37165671967204 0.61317563168722 0.94990138620429 28.085 > 13 27 Si 0.62834328032796 0.13682436831278 0.44990138620429 28.085 > 14 28 Si 0.62834328032796 0.63682436831278 0.44990138620429 28.085 > 14 29 Si 0.62834328032796 0.36317563168722 0.55009861379571 28.085 > 15 30 Si 0.62834328032796 0.86317563168722 0.55009861379571 28.085 > 15 31 Si 0.37165671967204 0.38682436831278 0.05009861379571 28.085 > 16 32 Si 0.37165671967204 0.88682436831278 0.05009861379571 28.085 > 16 33 Si 0.12645623860984 0.27243637643820 0.22661926573978 28.085 > 1 34 Si 0.12645623860984 0.77243637643820 0.22661926573978 28.085 > 1 35 Si 0.37354376139016 0.22756362356180 0.72661926573978 28.085 > 2 36 Si 0.37354376139016 0.72756362356180 0.72661926573978 28.085 > 2 37 Si 0.37354376139016 0.27243637643820 0.27338073426022 28.085 > 3 38 Si 0.37354376139016 0.77243637643820 0.27338073426022 28.085 > 3 39 Si 0.12645623860984 0.22756362356180 0.77338073426022 28.085 > 4 40 Si 0.12645623860984 0.72756362356180 0.77338073426022 28.085 > 4 41 Si 0.87354376139016 0.22756362356180 0.77338073426022 28.085 > 5 42 Si 0.87354376139016 0.72756362356180 0.77338073426022 28.085 > 5 43 Si 0.62645623860984 0.27243637643820 0.27338073426022 28.085 > 6 44 Si 0.62645623860984 0.77243637643820 0.27338073426022 28.085 > 6 45 Si 0.62645623860984 0.22756362356180 0.72661926573978 28.085 > 7 46 Si 0.62645623860984 0.72756362356180 0.72661926573978 28.085 > 7 47 Si 0.87354376139016 0.27243637643820 0.22661926573978 28.085 > 8 48 Si 0.87354376139016 0.77243637643820 0.22661926573978 28.085 > 8 49 Si 0.12834328032796 0.13682436831278 0.05009861379571 28.085 > 9 50 Si 0.12834328032796 0.63682436831278 0.05009861379571 28.085 > 9 51 Si 0.87165671967204 0.11317563168722 0.55009861379571 28.085 > 10 52 Si 0.87165671967204 0.61317563168722 0.55009861379571 28.085 > 10 53 Si 0.87165671967204 0.38682436831278 0.44990138620429 28.085 > 11 54 Si 0.87165671967204 0.88682436831278 0.44990138620429 28.085 > 11 55 Si 0.12834328032796 0.36317563168722 0.94990138620429 28.085 > 12 56 Si 0.12834328032796 0.86317563168722 0.94990138620429 28.085 > 12 57 Si 0.87165671967204 0.36317563168722 0.94990138620429 28.085 > 13 58 Si 0.87165671967204 0.86317563168722 0.94990138620429 28.085 > 13 59 Si 0.12834328032796 0.38682436831278 0.44990138620429 28.085 > 14 60 Si 0.12834328032796 0.88682436831278 0.44990138620429 28.085 > 14 61 Si 0.12834328032796 0.11317563168722 0.55009861379571 28.085 > 15 62 Si 0.12834328032796 0.61317563168722 0.55009861379571 28.085 > 15 63 Si 0.87165671967204 0.13682436831278 0.05009861379571 28.085 > 16 64 Si 0.87165671967204 0.63682436831278 0.05009861379571 28.085 > 16 *65 Fe 0.50000000000000 0.34610371123780 0.81251832118537 55.845 > 17 66 Fe 0.50000000000000 0.84610371123780 0.81251832118537 55.845 > 17 67 Fe 0.50000000000000 0.40389628876220 0.31251832118537 55.845 > 18 68 Fe 0.50000000000000 0.90389628876220 0.31251832118537 55.845 > 18 69 Fe 0.50000000000000 0.09610371123780 0.68748167881463 55.845 > 19 70 Fe 0.50000000000000 0.59610371123780 0.68748167881463 55.845 > 19 71 Fe 0.50000000000000 0.15389628876220 0.18748167881463 55.845 > 20 72 Fe 0.50000000000000 0.65389628876220 0.18748167881463 55.845 > 20 *73 Fe 0.71617202584819 0.00000000000000 0.50000000000000 55.845 > 21 74 Fe 0.71617202584819 0.50000000000000 0.50000000000000 55.845 > 21 75 Fe 0.78382797415181 0.00000000000000 0.00000000000000 55.845 > 22 76 Fe 0.78382797415181 0.50000000000000 0.00000000000000 55.845 > 22 77 Fe 0.28382797415181 0.00000000000000 0.50000000000000 55.845 > 23 78 Fe 0.28382797415181 0.50000000000000 0.50000000000000 55.845 > 23 79 Fe 0.21617202584819 0.00000000000000 0.00000000000000 55.845 > 24 80 Fe 0.21617202584819 0.50000000000000 0.00000000000000 55.845 > 24 81 Fe 0.00000000000000 0.09610371123780 0.81251832118537 55.845 > 17 82 Fe 0.00000000000000 0.59610371123780 0.81251832118537 55.845 > 17 83 Fe 0.00000000000000 0.15389628876220 0.31251832118537 55.845 > 18 84 Fe 0.00000000000000 0.65389628876220 0.31251832118537 55.845 > 18 85 Fe 0.00000000000000 0.34610371123780 0.68748167881463 55.845 > 19 86 Fe 0.00000000000000 0.84610371123780 0.68748167881463 55.845 > 19 87 Fe 0.00000000000000 0.40389628876220 0.18748167881463 55.845 > 20 88 Fe 0.00000000000000 0.90389628876220 0.18748167881463 55.845 > 20 89 Fe 0.21617202584819 0.25000000000000 0.50000000000000 55.845 > 21 90 Fe 0.21617202584819 0.75000000000000 0.50000000000000 55.845 > 21 91 Fe 0.28382797415181 0.25000000000000 0.00000000000000 55.845 > 22 92 Fe 0.28382797415181 0.75000000000000 0.00000000000000 55.845 > 22 93 Fe 0.78382797415181 0.25000000000000 0.50000000000000 55.845 > 23 94 Fe 0.78382797415181 0.75000000000000 0.50000000000000 55.845 > 23 95 Fe 0.71617202584819 0.25000000000000 0.00000000000000 55.845 > 24 96 Fe 0.71617202584819 0.75000000000000 0.00000000000000 55.845 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 23.0831133 0.0000000 0.0000000 0.0000000 24.3237644 0.0000000 0.0000000 0.0000000 23.9723473 -------------------------- Born effective charges -------------------------- 1 Si 3.2073259 -0.1406562 0.1698353 0.1385159 3.3667461 -0.3473006 -0.2993081 0.0899275 3.5589868 2 Si 3.2073259 -0.1406562 -0.1698353 0.1385159 3.3667461 0.3473006 0.2993081 -0.0899275 3.5589868 3 Si 3.2073259 0.1406562 0.1698353 -0.1385159 3.3667461 0.3473006 -0.2993081 -0.0899275 3.5589868 4 Si 3.2073259 0.1406562 -0.1698353 -0.1385159 3.3667461 -0.3473006 0.2993081 0.0899275 3.5589868 5 Si 3.2073259 -0.1406562 0.1698353 0.1385159 3.3667461 -0.3473006 -0.2993081 0.0899275 3.5589868 6 Si 3.2073259 -0.1406562 -0.1698353 0.1385159 3.3667461 0.3473006 0.2993081 -0.0899275 3.5589868 7 Si 3.2073259 0.1406562 0.1698353 -0.1385159 3.3667461 0.3473006 -0.2993081 -0.0899275 3.5589868 8 Si 3.2073259 0.1406562 -0.1698353 -0.1385159 3.3667461 -0.3473006 0.2993081 0.0899275 3.5589868 9 Si 3.1758943 -0.2991639 -0.1960020 0.1416090 3.7350074 0.2791262 0.2400188 0.2238604 3.5464204 10 Si 3.1758943 -0.2991639 0.1960020 0.1416090 3.7350074 -0.2791262 -0.2400188 -0.2238604 3.5464204 11 Si 3.1758943 0.2991639 -0.1960020 -0.1416090 3.7350074 -0.2791262 0.2400188 -0.2238604 3.5464204 12 Si 3.1758943 0.2991639 0.1960020 -0.1416090 3.7350074 0.2791262 -0.2400188 0.2238604 3.5464204 13 Si 3.1758943 -0.2991639 -0.1960020 0.1416090 3.7350074 0.2791262 0.2400188 0.2238604 3.5464204 14 Si 3.1758943 -0.2991639 0.1960020 0.1416090 3.7350074 -0.2791262 -0.2400188 -0.2238604 3.5464204 15 Si 3.1758943 0.2991639 -0.1960020 -0.1416090 3.7350074 -0.2791262 0.2400188 -0.2238604 3.5464204 16 Si 3.1758943 0.2991639 0.1960020 -0.1416090 3.7350074 0.2791262 -0.2400188 0.2238604 3.5464204 17 Fe -5.7077697 0.0000000 0.0000000 0.0000000 -7.4600535 0.1822978 0.0000000 0.1655912 -7.3541579 18 Fe -5.7077697 0.0000000 0.0000000 0.0000000 -7.4600535 -0.1822978 0.0000000 -0.1655912 -7.3541579 19 Fe -5.7077697 0.0000000 0.0000000 0.0000000 -7.4600535 -0.1822978 0.0000000 -0.1655912 -7.3541579 20 Fe -5.7077697 0.0000000 0.0000000 0.0000000 -7.4600535 0.1822978 0.0000000 0.1655912 -7.3541579 21 Fe -7.0586706 0.0000000 0.0000000 0.0000000 -6.7434535 0.5707785 0.0000000 0.7319812 -6.8566565 22 Fe -7.0586706 0.0000000 0.0000000 0.0000000 -6.7434535 -0.5707785 0.0000000 -0.7319812 -6.8566565 23 Fe -7.0586706 0.0000000 0.0000000 0.0000000 -6.7434535 0.5707785 0.0000000 0.7319812 -6.8566565 24 Fe -7.0586706 0.0000000 0.0000000 0.0000000 -6.7434535 -0.5707785 0.0000000 -0.7319812 -6.8566565 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 13320/13320 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1410 Number of blocks in projector: 1410 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: 300 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 186 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 186 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 186 Use standard eigh solver. Tree of FC basis block matrices: - (1410, 1382), data: False |-- (186, 182), data: True |-- (186, 182), data: True |-- (186, 182), data: True |-- (276, 272), data: True |-- (276, 272), data: True |-- (300, 292), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 400 - Time: 1.694 Solver_block: 200 / 400 - Time: 1.705 Solver_block: 300 / 400 - Time: 1.664 Solver_block: 400 / 400 - Time: 1.653 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.854 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 13320/13320 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1410 Number of blocks in projector: 1410 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: 300 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 186 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 186 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 186 Use standard eigh solver. Tree of FC basis block matrices: - (1410, 1382), data: False |-- (186, 182), data: True |-- (186, 182), data: True |-- (186, 182), data: True |-- (276, 272), data: True |-- (276, 272), data: True |-- (300, 292), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 18:56:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:56:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.888171970000000 -3.851915815000000 0.000000000000000 b 4.888171970000000 3.851915815000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.739771250000000 Atomic positions (fractional): 1 Si 0.58158348573344 0.67132899148624 0.22661926573978 28.085 2 Si 0.91841651426656 0.82867100851376 0.72661926573978 28.085 3 Si 0.82867100851376 0.91841651426656 0.27338073426022 28.085 4 Si 0.67132899148624 0.58158348573344 0.77338073426022 28.085 5 Si 0.41841651426656 0.32867100851376 0.77338073426022 28.085 6 Si 0.08158348573344 0.17132899148624 0.27338073426022 28.085 7 Si 0.17132899148624 0.08158348573344 0.72661926573978 28.085 8 Si 0.32867100851376 0.41841651426656 0.22661926573978 28.085 9 Si 0.85469454370240 0.40199201695352 0.05009861379571 28.085 10 Si 0.64530545629761 0.09800798304648 0.55009861379571 28.085 11 Si 0.09800798304648 0.64530545629761 0.44990138620429 28.085 12 Si 0.40199201695352 0.85469454370240 0.94990138620429 28.085 13 Si 0.14530545629760 0.59800798304648 0.94990138620429 28.085 14 Si 0.35469454370240 0.90199201695352 0.44990138620429 28.085 15 Si 0.90199201695352 0.35469454370239 0.55009861379571 28.085 16 Si 0.59800798304648 0.14530545629761 0.05009861379571 28.085 17 Fe 0.80779257752441 0.19220742247559 0.81251832118537 55.845 18 Fe 0.69220742247559 0.30779257752441 0.31251832118537 55.845 19 Fe 0.30779257752441 0.69220742247559 0.68748167881463 55.845 20 Fe 0.19220742247559 0.80779257752441 0.18748167881463 55.845 21 Fe 0.71617202584819 0.71617202584819 0.50000000000000 55.845 22 Fe 0.78382797415181 0.78382797415181 0.00000000000000 55.845 23 Fe 0.28382797415181 0.28382797415181 0.50000000000000 55.845 24 Fe 0.21617202584819 0.21617202584819 0.00000000000000 55.845 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.776343940000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.407663260000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.739771250000000 Atomic positions (fractional): 1 Si 0.62645623860984 0.02243637643820 0.22661926573978 28.085 > 1 2 Si 0.62645623860984 0.52243637643820 0.22661926573978 28.085 > 1 3 Si 0.87354376139016 0.47756362356180 0.72661926573978 28.085 > 3 4 Si 0.87354376139016 0.97756362356180 0.72661926573978 28.085 > 3 5 Si 0.87354376139016 0.02243637643820 0.27338073426022 28.085 > 5 6 Si 0.87354376139016 0.52243637643820 0.27338073426022 28.085 > 5 7 Si 0.62645623860984 0.47756362356180 0.77338073426022 28.085 > 7 8 Si 0.62645623860984 0.97756362356180 0.77338073426022 28.085 > 7 9 Si 0.37354376139016 0.47756362356180 0.77338073426022 28.085 > 9 10 Si 0.37354376139016 0.97756362356180 0.77338073426022 28.085 > 9 11 Si 0.12645623860984 0.02243637643820 0.27338073426022 28.085 > 11 12 Si 0.12645623860984 0.52243637643820 0.27338073426022 28.085 > 11 13 Si 0.12645623860984 0.47756362356180 0.72661926573978 28.085 > 13 14 Si 0.12645623860984 0.97756362356180 0.72661926573978 28.085 > 13 15 Si 0.37354376139016 0.02243637643820 0.22661926573978 28.085 > 15 16 Si 0.37354376139016 0.52243637643820 0.22661926573978 28.085 > 15 17 Si 0.62834328032796 0.38682436831278 0.05009861379571 28.085 > 17 18 Si 0.62834328032796 0.88682436831278 0.05009861379571 28.085 > 17 19 Si 0.37165671967204 0.36317563168722 0.55009861379571 28.085 > 19 20 Si 0.37165671967204 0.86317563168722 0.55009861379571 28.085 > 19 21 Si 0.37165671967204 0.13682436831278 0.44990138620429 28.085 > 21 22 Si 0.37165671967204 0.63682436831278 0.44990138620429 28.085 > 21 23 Si 0.62834328032796 0.11317563168722 0.94990138620429 28.085 > 23 24 Si 0.62834328032796 0.61317563168722 0.94990138620429 28.085 > 23 25 Si 0.37165671967204 0.11317563168722 0.94990138620429 28.085 > 25 26 Si 0.37165671967204 0.61317563168722 0.94990138620429 28.085 > 25 27 Si 0.62834328032796 0.13682436831278 0.44990138620429 28.085 > 27 28 Si 0.62834328032796 0.63682436831278 0.44990138620429 28.085 > 27 29 Si 0.62834328032796 0.36317563168722 0.55009861379571 28.085 > 29 30 Si 0.62834328032796 0.86317563168722 0.55009861379571 28.085 > 29 31 Si 0.37165671967204 0.38682436831278 0.05009861379571 28.085 > 31 32 Si 0.37165671967204 0.88682436831278 0.05009861379571 28.085 > 31 33 Si 0.12645623860984 0.27243637643820 0.22661926573978 28.085 > 1 34 Si 0.12645623860984 0.77243637643820 0.22661926573978 28.085 > 1 35 Si 0.37354376139016 0.22756362356180 0.72661926573978 28.085 > 3 36 Si 0.37354376139016 0.72756362356180 0.72661926573978 28.085 > 3 37 Si 0.37354376139016 0.27243637643820 0.27338073426022 28.085 > 5 38 Si 0.37354376139016 0.77243637643820 0.27338073426022 28.085 > 5 39 Si 0.12645623860984 0.22756362356180 0.77338073426022 28.085 > 7 40 Si 0.12645623860984 0.72756362356180 0.77338073426022 28.085 > 7 41 Si 0.87354376139016 0.22756362356180 0.77338073426022 28.085 > 9 42 Si 0.87354376139016 0.72756362356180 0.77338073426022 28.085 > 9 43 Si 0.62645623860984 0.27243637643820 0.27338073426022 28.085 > 11 44 Si 0.62645623860984 0.77243637643820 0.27338073426022 28.085 > 11 45 Si 0.62645623860984 0.22756362356180 0.72661926573978 28.085 > 13 46 Si 0.62645623860984 0.72756362356180 0.72661926573978 28.085 > 13 47 Si 0.87354376139016 0.27243637643820 0.22661926573978 28.085 > 15 48 Si 0.87354376139016 0.77243637643820 0.22661926573978 28.085 > 15 49 Si 0.12834328032796 0.13682436831278 0.05009861379571 28.085 > 17 50 Si 0.12834328032796 0.63682436831278 0.05009861379571 28.085 > 17 51 Si 0.87165671967204 0.11317563168722 0.55009861379571 28.085 > 19 52 Si 0.87165671967204 0.61317563168722 0.55009861379571 28.085 > 19 53 Si 0.87165671967204 0.38682436831278 0.44990138620429 28.085 > 21 54 Si 0.87165671967204 0.88682436831278 0.44990138620429 28.085 > 21 55 Si 0.12834328032796 0.36317563168722 0.94990138620429 28.085 > 23 56 Si 0.12834328032796 0.86317563168722 0.94990138620429 28.085 > 23 57 Si 0.87165671967204 0.36317563168722 0.94990138620429 28.085 > 25 58 Si 0.87165671967204 0.86317563168722 0.94990138620429 28.085 > 25 59 Si 0.12834328032796 0.38682436831278 0.44990138620429 28.085 > 27 60 Si 0.12834328032796 0.88682436831278 0.44990138620429 28.085 > 27 61 Si 0.12834328032796 0.11317563168722 0.55009861379571 28.085 > 29 62 Si 0.12834328032796 0.61317563168722 0.55009861379571 28.085 > 29 63 Si 0.87165671967204 0.13682436831278 0.05009861379571 28.085 > 31 64 Si 0.87165671967204 0.63682436831278 0.05009861379571 28.085 > 31 65 Fe 0.50000000000000 0.34610371123780 0.81251832118537 55.845 > 65 66 Fe 0.50000000000000 0.84610371123780 0.81251832118537 55.845 > 65 67 Fe 0.50000000000000 0.40389628876220 0.31251832118537 55.845 > 67 68 Fe 0.50000000000000 0.90389628876220 0.31251832118537 55.845 > 67 69 Fe 0.50000000000000 0.09610371123780 0.68748167881463 55.845 > 69 70 Fe 0.50000000000000 0.59610371123780 0.68748167881463 55.845 > 69 71 Fe 0.50000000000000 0.15389628876220 0.18748167881463 55.845 > 71 72 Fe 0.50000000000000 0.65389628876220 0.18748167881463 55.845 > 71 73 Fe 0.71617202584819 0.00000000000000 0.50000000000000 55.845 > 73 74 Fe 0.71617202584819 0.50000000000000 0.50000000000000 55.845 > 73 75 Fe 0.78382797415181 0.00000000000000 0.00000000000000 55.845 > 75 76 Fe 0.78382797415181 0.50000000000000 0.00000000000000 55.845 > 75 77 Fe 0.28382797415181 0.00000000000000 0.50000000000000 55.845 > 77 78 Fe 0.28382797415181 0.50000000000000 0.50000000000000 55.845 > 77 79 Fe 0.21617202584819 0.00000000000000 0.00000000000000 55.845 > 79 80 Fe 0.21617202584819 0.50000000000000 0.00000000000000 55.845 > 79 81 Fe 0.00000000000000 0.09610371123780 0.81251832118537 55.845 > 65 82 Fe 0.00000000000000 0.59610371123780 0.81251832118537 55.845 > 65 83 Fe 0.00000000000000 0.15389628876220 0.31251832118537 55.845 > 67 84 Fe 0.00000000000000 0.65389628876220 0.31251832118537 55.845 > 67 85 Fe 0.00000000000000 0.34610371123780 0.68748167881463 55.845 > 69 86 Fe 0.00000000000000 0.84610371123780 0.68748167881463 55.845 > 69 87 Fe 0.00000000000000 0.40389628876220 0.18748167881463 55.845 > 71 88 Fe 0.00000000000000 0.90389628876220 0.18748167881463 55.845 > 71 89 Fe 0.21617202584819 0.25000000000000 0.50000000000000 55.845 > 73 90 Fe 0.21617202584819 0.75000000000000 0.50000000000000 55.845 > 73 91 Fe 0.28382797415181 0.25000000000000 0.00000000000000 55.845 > 75 92 Fe 0.28382797415181 0.75000000000000 0.00000000000000 55.845 > 75 93 Fe 0.78382797415181 0.25000000000000 0.50000000000000 55.845 > 77 94 Fe 0.78382797415181 0.75000000000000 0.50000000000000 55.845 > 77 95 Fe 0.71617202584819 0.25000000000000 0.00000000000000 55.845 > 79 96 Fe 0.71617202584819 0.75000000000000 0.00000000000000 55.845 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 23.0831133 0.0000000 0.0000000 0.0000000 24.3237644 0.0000000 0.0000000 0.0000000 23.9723473 -------------------------- Born effective charges -------------------------- 1 Si 3.2073259 -0.1406562 0.1698353 0.1385159 3.3667461 -0.3473006 -0.2993081 0.0899275 3.5589868 2 Si 3.2073259 -0.1406562 -0.1698353 0.1385159 3.3667461 0.3473006 0.2993081 -0.0899275 3.5589868 3 Si 3.2073259 0.1406562 0.1698353 -0.1385159 3.3667461 0.3473006 -0.2993081 -0.0899275 3.5589868 4 Si 3.2073259 0.1406562 -0.1698353 -0.1385159 3.3667461 -0.3473006 0.2993081 0.0899275 3.5589868 5 Si 3.2073259 -0.1406562 0.1698353 0.1385159 3.3667461 -0.3473006 -0.2993081 0.0899275 3.5589868 6 Si 3.2073259 -0.1406562 -0.1698353 0.1385159 3.3667461 0.3473006 0.2993081 -0.0899275 3.5589868 7 Si 3.2073259 0.1406562 0.1698353 -0.1385159 3.3667461 0.3473006 -0.2993081 -0.0899275 3.5589868 8 Si 3.2073259 0.1406562 -0.1698353 -0.1385159 3.3667461 -0.3473006 0.2993081 0.0899275 3.5589868 9 Si 3.1758943 -0.2991639 -0.1960020 0.1416090 3.7350074 0.2791262 0.2400188 0.2238604 3.5464204 10 Si 3.1758943 -0.2991639 0.1960020 0.1416090 3.7350074 -0.2791262 -0.2400188 -0.2238604 3.5464204 11 Si 3.1758943 0.2991639 -0.1960020 -0.1416090 3.7350074 -0.2791262 0.2400188 -0.2238604 3.5464204 12 Si 3.1758943 0.2991639 0.1960020 -0.1416090 3.7350074 0.2791262 -0.2400188 0.2238604 3.5464204 13 Si 3.1758943 -0.2991639 -0.1960020 0.1416090 3.7350074 0.2791262 0.2400188 0.2238604 3.5464204 14 Si 3.1758943 -0.2991639 0.1960020 0.1416090 3.7350074 -0.2791262 -0.2400188 -0.2238604 3.5464204 15 Si 3.1758943 0.2991639 -0.1960020 -0.1416090 3.7350074 -0.2791262 0.2400188 -0.2238604 3.5464204 16 Si 3.1758943 0.2991639 0.1960020 -0.1416090 3.7350074 0.2791262 -0.2400188 0.2238604 3.5464204 17 Fe -5.7077697 0.0000000 0.0000000 0.0000000 -7.4600535 0.1822978 0.0000000 0.1655912 -7.3541579 18 Fe -5.7077697 0.0000000 0.0000000 0.0000000 -7.4600535 -0.1822978 0.0000000 -0.1655912 -7.3541579 19 Fe -5.7077697 0.0000000 0.0000000 0.0000000 -7.4600535 -0.1822978 0.0000000 -0.1655912 -7.3541579 20 Fe -5.7077697 0.0000000 0.0000000 0.0000000 -7.4600535 0.1822978 0.0000000 0.1655912 -7.3541579 21 Fe -7.0586706 0.0000000 0.0000000 0.0000000 -6.7434535 0.5707785 0.0000000 0.7319812 -6.8566565 22 Fe -7.0586706 0.0000000 0.0000000 0.0000000 -6.7434535 -0.5707785 0.0000000 -0.7319812 -6.8566565 23 Fe -7.0586706 0.0000000 0.0000000 0.0000000 -6.7434535 0.5707785 0.0000000 0.7319812 -6.8566565 24 Fe -7.0586706 0.0000000 0.0000000 0.0000000 -6.7434535 -0.5707785 0.0000000 -0.7319812 -6.8566565 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) 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 2026-01-07 18:57:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:57:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.888171970000000 -3.851915815000000 0.000000000000000 b 4.888171970000000 3.851915815000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.739771250000000 Atomic positions (fractional): 1 Si 0.58158348573344 0.67132899148624 0.22661926573978 28.085 2 Si 0.91841651426656 0.82867100851376 0.72661926573978 28.085 3 Si 0.82867100851376 0.91841651426656 0.27338073426022 28.085 4 Si 0.67132899148624 0.58158348573344 0.77338073426022 28.085 5 Si 0.41841651426656 0.32867100851376 0.77338073426022 28.085 6 Si 0.08158348573344 0.17132899148624 0.27338073426022 28.085 7 Si 0.17132899148624 0.08158348573344 0.72661926573978 28.085 8 Si 0.32867100851376 0.41841651426656 0.22661926573978 28.085 9 Si 0.85469454370240 0.40199201695352 0.05009861379571 28.085 10 Si 0.64530545629761 0.09800798304648 0.55009861379571 28.085 11 Si 0.09800798304648 0.64530545629761 0.44990138620429 28.085 12 Si 0.40199201695352 0.85469454370240 0.94990138620429 28.085 13 Si 0.14530545629760 0.59800798304648 0.94990138620429 28.085 14 Si 0.35469454370240 0.90199201695352 0.44990138620429 28.085 15 Si 0.90199201695352 0.35469454370239 0.55009861379571 28.085 16 Si 0.59800798304648 0.14530545629761 0.05009861379571 28.085 17 Fe 0.80779257752441 0.19220742247559 0.81251832118537 55.845 18 Fe 0.69220742247559 0.30779257752441 0.31251832118537 55.845 19 Fe 0.30779257752441 0.69220742247559 0.68748167881463 55.845 20 Fe 0.19220742247559 0.80779257752441 0.18748167881463 55.845 21 Fe 0.71617202584819 0.71617202584819 0.50000000000000 55.845 22 Fe 0.78382797415181 0.78382797415181 0.00000000000000 55.845 23 Fe 0.28382797415181 0.28382797415181 0.50000000000000 55.845 24 Fe 0.21617202584819 0.21617202584819 0.00000000000000 55.845 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.776343940000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.407663260000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.739771250000000 Atomic positions (fractional): 1 Si 0.62645623860984 0.02243637643820 0.22661926573978 28.085 > 1 2 Si 0.62645623860984 0.52243637643820 0.22661926573978 28.085 > 1 3 Si 0.87354376139016 0.47756362356180 0.72661926573978 28.085 > 3 4 Si 0.87354376139016 0.97756362356180 0.72661926573978 28.085 > 3 5 Si 0.87354376139016 0.02243637643820 0.27338073426022 28.085 > 5 6 Si 0.87354376139016 0.52243637643820 0.27338073426022 28.085 > 5 7 Si 0.62645623860984 0.47756362356180 0.77338073426022 28.085 > 7 8 Si 0.62645623860984 0.97756362356180 0.77338073426022 28.085 > 7 9 Si 0.37354376139016 0.47756362356180 0.77338073426022 28.085 > 9 10 Si 0.37354376139016 0.97756362356180 0.77338073426022 28.085 > 9 11 Si 0.12645623860984 0.02243637643820 0.27338073426022 28.085 > 11 12 Si 0.12645623860984 0.52243637643820 0.27338073426022 28.085 > 11 13 Si 0.12645623860984 0.47756362356180 0.72661926573978 28.085 > 13 14 Si 0.12645623860984 0.97756362356180 0.72661926573978 28.085 > 13 15 Si 0.37354376139016 0.02243637643820 0.22661926573978 28.085 > 15 16 Si 0.37354376139016 0.52243637643820 0.22661926573978 28.085 > 15 17 Si 0.62834328032796 0.38682436831278 0.05009861379571 28.085 > 17 18 Si 0.62834328032796 0.88682436831278 0.05009861379571 28.085 > 17 19 Si 0.37165671967204 0.36317563168722 0.55009861379571 28.085 > 19 20 Si 0.37165671967204 0.86317563168722 0.55009861379571 28.085 > 19 21 Si 0.37165671967204 0.13682436831278 0.44990138620429 28.085 > 21 22 Si 0.37165671967204 0.63682436831278 0.44990138620429 28.085 > 21 23 Si 0.62834328032796 0.11317563168722 0.94990138620429 28.085 > 23 24 Si 0.62834328032796 0.61317563168722 0.94990138620429 28.085 > 23 25 Si 0.37165671967204 0.11317563168722 0.94990138620429 28.085 > 25 26 Si 0.37165671967204 0.61317563168722 0.94990138620429 28.085 > 25 27 Si 0.62834328032796 0.13682436831278 0.44990138620429 28.085 > 27 28 Si 0.62834328032796 0.63682436831278 0.44990138620429 28.085 > 27 29 Si 0.62834328032796 0.36317563168722 0.55009861379571 28.085 > 29 30 Si 0.62834328032796 0.86317563168722 0.55009861379571 28.085 > 29 31 Si 0.37165671967204 0.38682436831278 0.05009861379571 28.085 > 31 32 Si 0.37165671967204 0.88682436831278 0.05009861379571 28.085 > 31 33 Si 0.12645623860984 0.27243637643820 0.22661926573978 28.085 > 1 34 Si 0.12645623860984 0.77243637643820 0.22661926573978 28.085 > 1 35 Si 0.37354376139016 0.22756362356180 0.72661926573978 28.085 > 3 36 Si 0.37354376139016 0.72756362356180 0.72661926573978 28.085 > 3 37 Si 0.37354376139016 0.27243637643820 0.27338073426022 28.085 > 5 38 Si 0.37354376139016 0.77243637643820 0.27338073426022 28.085 > 5 39 Si 0.12645623860984 0.22756362356180 0.77338073426022 28.085 > 7 40 Si 0.12645623860984 0.72756362356180 0.77338073426022 28.085 > 7 41 Si 0.87354376139016 0.22756362356180 0.77338073426022 28.085 > 9 42 Si 0.87354376139016 0.72756362356180 0.77338073426022 28.085 > 9 43 Si 0.62645623860984 0.27243637643820 0.27338073426022 28.085 > 11 44 Si 0.62645623860984 0.77243637643820 0.27338073426022 28.085 > 11 45 Si 0.62645623860984 0.22756362356180 0.72661926573978 28.085 > 13 46 Si 0.62645623860984 0.72756362356180 0.72661926573978 28.085 > 13 47 Si 0.87354376139016 0.27243637643820 0.22661926573978 28.085 > 15 48 Si 0.87354376139016 0.77243637643820 0.22661926573978 28.085 > 15 49 Si 0.12834328032796 0.13682436831278 0.05009861379571 28.085 > 17 50 Si 0.12834328032796 0.63682436831278 0.05009861379571 28.085 > 17 51 Si 0.87165671967204 0.11317563168722 0.55009861379571 28.085 > 19 52 Si 0.87165671967204 0.61317563168722 0.55009861379571 28.085 > 19 53 Si 0.87165671967204 0.38682436831278 0.44990138620429 28.085 > 21 54 Si 0.87165671967204 0.88682436831278 0.44990138620429 28.085 > 21 55 Si 0.12834328032796 0.36317563168722 0.94990138620429 28.085 > 23 56 Si 0.12834328032796 0.86317563168722 0.94990138620429 28.085 > 23 57 Si 0.87165671967204 0.36317563168722 0.94990138620429 28.085 > 25 58 Si 0.87165671967204 0.86317563168722 0.94990138620429 28.085 > 25 59 Si 0.12834328032796 0.38682436831278 0.44990138620429 28.085 > 27 60 Si 0.12834328032796 0.88682436831278 0.44990138620429 28.085 > 27 61 Si 0.12834328032796 0.11317563168722 0.55009861379571 28.085 > 29 62 Si 0.12834328032796 0.61317563168722 0.55009861379571 28.085 > 29 63 Si 0.87165671967204 0.13682436831278 0.05009861379571 28.085 > 31 64 Si 0.87165671967204 0.63682436831278 0.05009861379571 28.085 > 31 65 Fe 0.50000000000000 0.34610371123780 0.81251832118537 55.845 > 65 66 Fe 0.50000000000000 0.84610371123780 0.81251832118537 55.845 > 65 67 Fe 0.50000000000000 0.40389628876220 0.31251832118537 55.845 > 67 68 Fe 0.50000000000000 0.90389628876220 0.31251832118537 55.845 > 67 69 Fe 0.50000000000000 0.09610371123780 0.68748167881463 55.845 > 69 70 Fe 0.50000000000000 0.59610371123780 0.68748167881463 55.845 > 69 71 Fe 0.50000000000000 0.15389628876220 0.18748167881463 55.845 > 71 72 Fe 0.50000000000000 0.65389628876220 0.18748167881463 55.845 > 71 73 Fe 0.71617202584819 0.00000000000000 0.50000000000000 55.845 > 73 74 Fe 0.71617202584819 0.50000000000000 0.50000000000000 55.845 > 73 75 Fe 0.78382797415181 0.00000000000000 0.00000000000000 55.845 > 75 76 Fe 0.78382797415181 0.50000000000000 0.00000000000000 55.845 > 75 77 Fe 0.28382797415181 0.00000000000000 0.50000000000000 55.845 > 77 78 Fe 0.28382797415181 0.50000000000000 0.50000000000000 55.845 > 77 79 Fe 0.21617202584819 0.00000000000000 0.00000000000000 55.845 > 79 80 Fe 0.21617202584819 0.50000000000000 0.00000000000000 55.845 > 79 81 Fe 0.00000000000000 0.09610371123780 0.81251832118537 55.845 > 65 82 Fe 0.00000000000000 0.59610371123780 0.81251832118537 55.845 > 65 83 Fe 0.00000000000000 0.15389628876220 0.31251832118537 55.845 > 67 84 Fe 0.00000000000000 0.65389628876220 0.31251832118537 55.845 > 67 85 Fe 0.00000000000000 0.34610371123780 0.68748167881463 55.845 > 69 86 Fe 0.00000000000000 0.84610371123780 0.68748167881463 55.845 > 69 87 Fe 0.00000000000000 0.40389628876220 0.18748167881463 55.845 > 71 88 Fe 0.00000000000000 0.90389628876220 0.18748167881463 55.845 > 71 89 Fe 0.21617202584819 0.25000000000000 0.50000000000000 55.845 > 73 90 Fe 0.21617202584819 0.75000000000000 0.50000000000000 55.845 > 73 91 Fe 0.28382797415181 0.25000000000000 0.00000000000000 55.845 > 75 92 Fe 0.28382797415181 0.75000000000000 0.00000000000000 55.845 > 75 93 Fe 0.78382797415181 0.25000000000000 0.50000000000000 55.845 > 77 94 Fe 0.78382797415181 0.75000000000000 0.50000000000000 55.845 > 77 95 Fe 0.71617202584819 0.25000000000000 0.00000000000000 55.845 > 79 96 Fe 0.71617202584819 0.75000000000000 0.00000000000000 55.845 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 23.0831133 0.0000000 0.0000000 0.0000000 24.3237644 0.0000000 0.0000000 0.0000000 23.9723473 -------------------------- Born effective charges -------------------------- 1 Si 3.2073259 -0.1406562 0.1698353 0.1385159 3.3667461 -0.3473006 -0.2993081 0.0899275 3.5589868 2 Si 3.2073259 -0.1406562 -0.1698353 0.1385159 3.3667461 0.3473006 0.2993081 -0.0899275 3.5589868 3 Si 3.2073259 0.1406562 0.1698353 -0.1385159 3.3667461 0.3473006 -0.2993081 -0.0899275 3.5589868 4 Si 3.2073259 0.1406562 -0.1698353 -0.1385159 3.3667461 -0.3473006 0.2993081 0.0899275 3.5589868 5 Si 3.2073259 -0.1406562 0.1698353 0.1385159 3.3667461 -0.3473006 -0.2993081 0.0899275 3.5589868 6 Si 3.2073259 -0.1406562 -0.1698353 0.1385159 3.3667461 0.3473006 0.2993081 -0.0899275 3.5589868 7 Si 3.2073259 0.1406562 0.1698353 -0.1385159 3.3667461 0.3473006 -0.2993081 -0.0899275 3.5589868 8 Si 3.2073259 0.1406562 -0.1698353 -0.1385159 3.3667461 -0.3473006 0.2993081 0.0899275 3.5589868 9 Si 3.1758943 -0.2991639 -0.1960020 0.1416090 3.7350074 0.2791262 0.2400188 0.2238604 3.5464204 10 Si 3.1758943 -0.2991639 0.1960020 0.1416090 3.7350074 -0.2791262 -0.2400188 -0.2238604 3.5464204 11 Si 3.1758943 0.2991639 -0.1960020 -0.1416090 3.7350074 -0.2791262 0.2400188 -0.2238604 3.5464204 12 Si 3.1758943 0.2991639 0.1960020 -0.1416090 3.7350074 0.2791262 -0.2400188 0.2238604 3.5464204 13 Si 3.1758943 -0.2991639 -0.1960020 0.1416090 3.7350074 0.2791262 0.2400188 0.2238604 3.5464204 14 Si 3.1758943 -0.2991639 0.1960020 0.1416090 3.7350074 -0.2791262 -0.2400188 -0.2238604 3.5464204 15 Si 3.1758943 0.2991639 -0.1960020 -0.1416090 3.7350074 -0.2791262 0.2400188 -0.2238604 3.5464204 16 Si 3.1758943 0.2991639 0.1960020 -0.1416090 3.7350074 0.2791262 -0.2400188 0.2238604 3.5464204 17 Fe -5.7077697 0.0000000 0.0000000 0.0000000 -7.4600535 0.1822978 0.0000000 0.1655912 -7.3541579 18 Fe -5.7077697 0.0000000 0.0000000 0.0000000 -7.4600535 -0.1822978 0.0000000 -0.1655912 -7.3541579 19 Fe -5.7077697 0.0000000 0.0000000 0.0000000 -7.4600535 -0.1822978 0.0000000 -0.1655912 -7.3541579 20 Fe -5.7077697 0.0000000 0.0000000 0.0000000 -7.4600535 0.1822978 0.0000000 0.1655912 -7.3541579 21 Fe -7.0586706 0.0000000 0.0000000 0.0000000 -6.7434535 0.5707785 0.0000000 0.7319812 -6.8566565 22 Fe -7.0586706 0.0000000 0.0000000 0.0000000 -6.7434535 -0.5707785 0.0000000 -0.7319812 -6.8566565 23 Fe -7.0586706 0.0000000 0.0000000 0.0000000 -6.7434535 0.5707785 0.0000000 0.7319812 -6.8566565 24 Fe -7.0586706 0.0000000 0.0000000 0.0000000 -6.7434535 -0.5707785 0.0000000 -0.7319812 -6.8566565 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.63, Number of G-points: 295, Lambda: 0.32 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 84 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 5.418 ( 0.000 0.000 0.000) 0.000 5.441 ( 0.000 0.000 0.000) 0.000 5.683 ( 0.000 0.000 0.000) 0.000 5.988 ( 0.000 0.000 0.000) 0.000 6.054 ( 0.000 0.000 0.000) 0.000 6.142 ( 0.000 0.000 0.000) 0.000 6.438 ( 0.000 0.000 0.000) 0.000 6.442 ( 0.000 0.000 0.000) 0.000 6.908 ( 0.000 0.000 0.000) 0.000 7.065 ( 0.000 0.000 0.000) 0.000 7.226 ( 0.000 0.000 0.000) 0.000 7.462 ( 0.000 0.000 0.000) 0.000 7.636 ( 0.000 0.000 0.000) 0.000 7.706 ( 0.000 0.000 0.000) 0.000 7.708 ( 0.000 0.000 0.000) 0.000 7.799 ( 0.000 0.000 0.000) 0.000 7.929 ( 0.000 0.000 0.000) 0.000 8.041 ( 0.000 0.000 0.000) 0.000 8.199 ( 0.000 0.000 0.000) 0.000 8.595 ( 0.000 0.000 0.000) 0.000 8.678 ( 0.000 0.000 0.000) 0.000 8.798 ( 0.000 0.000 0.000) 0.000 8.961 ( 0.000 0.000 0.000) 0.000 9.083 ( 0.000 0.000 0.000) 0.000 9.091 ( 0.000 0.000 0.000) 0.000 9.124 ( 0.000 0.000 0.000) 0.000 9.226 ( 0.000 0.000 0.000) 0.000 9.457 ( 0.000 0.000 0.000) 0.000 9.596 ( 0.000 0.000 0.000) 0.000 9.693 ( 0.000 0.000 0.000) 0.000 9.764 ( 0.000 0.000 0.000) 0.000 9.949 ( 0.000 0.000 0.000) 0.000 10.016 ( 0.000 0.000 0.000) 0.000 10.256 ( 0.000 0.000 0.000) 0.000 10.445 ( 0.000 0.000 0.000) 0.000 10.664 ( 0.000 0.000 0.000) 0.000 10.720 ( 0.000 0.000 0.000) 0.000 10.737 ( 0.000 0.000 0.000) 0.000 10.755 ( 0.000 0.000 0.000) 0.000 10.801 ( 0.000 0.000 0.000) 0.000 10.999 ( 0.000 0.000 0.000) 0.000 11.051 ( 0.000 0.000 0.000) 0.000 11.134 ( 0.000 0.000 0.000) 0.000 11.141 ( 0.000 0.000 0.000) 0.000 11.630 ( 0.000 0.000 0.000) 0.000 11.667 ( 0.000 0.000 0.000) 0.000 11.747 ( 0.000 0.000 0.000) 0.000 11.781 ( 0.000 0.000 0.000) 0.000 11.797 ( 0.000 0.000 0.000) 0.000 12.132 ( 0.000 0.000 0.000) 0.000 12.160 ( 0.000 0.000 0.000) 0.000 12.161 ( 0.000 0.000 0.000) 0.000 12.196 ( 0.000 0.000 0.000) 0.000 12.806 ( 0.000 0.000 0.000) 0.000 12.818 ( 0.000 0.000 0.000) 0.000 12.930 ( 0.000 0.000 0.000) 0.000 13.056 ( 0.000 0.000 0.000) 0.000 13.182 ( 0.000 0.000 0.000) 0.000 13.416 ( 0.000 0.000 0.000) 0.000 13.441 ( 0.000 0.000 0.000) 0.000 13.544 ( 0.000 0.000 0.000) 0.000 13.793 ( 0.000 0.000 0.000) 0.000 13.926 ( 0.000 0.000 0.000) 0.000 13.993 ( 0.000 0.000 0.000) 0.000 14.133 ( 0.000 0.000 0.000) 0.000 14.205 ( 0.000 0.000 0.000) 0.000 14.652 ( 0.000 0.000 0.000) 0.000 15.201 ( 0.000 0.000 0.000) 0.000 15.799 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 28.478 -42.675 0.000) 51.304 1.090 ( 33.895 -39.881 0.000) 52.339 1.769 ( 47.258 -70.257 0.000) 84.672 5.398 ( 0.380 4.122 0.000) 4.140 5.492 ( 6.934 0.956 0.000) 7.000 5.773 ( 7.547 -4.726 0.000) 8.905 5.937 ( 0.541 8.034 0.000) 8.052 6.052 ( -0.673 -1.266 0.000) 1.434 6.135 ( 4.050 1.908 0.000) 4.477 6.445 ( 0.898 0.329 0.000) 0.956 6.460 ( 1.249 -3.158 0.000) 3.396 6.995 ( 11.180 -1.368 0.000) 11.264 7.057 ( -2.787 -1.001 0.000) 2.961 7.151 ( -6.265 2.952 0.000) 6.926 7.450 ( 0.083 5.136 0.000) 5.136 7.607 ( -0.346 -1.393 0.000) 1.436 7.652 ( -12.895 -4.128 0.000) 13.539 7.700 ( 1.047 2.727 0.000) 2.921 7.814 ( -0.287 12.612 0.000) 12.615 7.847 ( 0.445 -5.512 0.000) 5.530 8.103 ( -2.584 -7.907 0.000) 8.319 8.370 ( 8.901 -2.514 0.000) 9.249 8.663 ( 3.624 -4.650 0.000) 5.895 8.723 ( 5.598 1.466 0.000) 5.787 8.754 ( -2.444 1.400 0.000) 2.816 8.931 ( -0.769 -0.679 0.000) 1.026 9.045 ( -0.383 4.947 0.000) 4.962 9.179 ( 2.221 -3.271 0.000) 3.954 9.199 ( 7.270 -2.132 0.000) 7.576 9.294 ( -8.144 -9.384 0.000) 12.425 9.385 ( -6.778 3.191 0.000) 7.491 9.513 ( -7.914 3.701 0.000) 8.737 9.683 ( -1.646 9.641 0.000) 9.781 9.773 ( 6.203 7.614 0.000) 9.821 9.900 ( -3.557 0.714 0.000) 3.627 10.095 ( -4.424 14.916 0.000) 15.558 10.316 ( -3.866 11.839 0.000) 12.454 10.469 ( -5.753 11.220 0.000) 12.609 10.522 ( -19.249 4.787 0.000) 19.835 10.661 ( -6.807 2.692 0.000) 7.320 10.700 ( 2.065 2.433 0.000) 3.191 10.815 ( -12.172 -6.827 0.000) 13.956 10.947 ( 1.104 -3.602 0.000) 3.768 11.137 ( 2.801 1.426 0.000) 3.143 11.159 ( 9.361 -4.703 0.000) 10.475 11.276 ( -22.117 4.619 0.000) 22.594 11.393 ( -19.026 -1.140 0.000) 19.060 11.422 ( 14.148 -7.028 0.000) 15.798 11.771 ( 1.853 2.405 0.000) 3.036 11.865 ( 5.584 4.634 0.000) 7.256 11.917 ( 5.535 0.891 0.000) 5.606 12.065 ( -0.251 0.100 0.000) 0.270 12.088 ( 8.559 8.100 0.000) 11.784 12.235 ( 13.464 8.056 0.000) 15.690 12.283 ( 10.911 -5.772 0.000) 12.344 12.428 ( 12.661 1.606 0.000) 12.762 12.855 ( -2.331 -5.823 0.000) 6.272 12.868 ( 11.520 -2.529 0.000) 11.795 13.004 ( -0.659 -9.438 0.000) 9.461 13.050 ( 2.505 2.274 0.000) 3.383 13.182 ( 3.997 10.592 0.000) 11.321 13.346 ( 2.727 8.104 0.000) 8.551 13.501 ( 9.977 -1.265 0.000) 10.057 13.786 ( -2.579 -3.149 0.000) 4.070 13.931 ( -6.687 -0.678 0.000) 6.721 14.084 ( -6.903 7.357 0.000) 10.088 14.194 ( 0.761 -20.825 0.000) 20.839 14.225 ( 11.802 -0.844 0.000) 11.832 14.682 ( 4.046 1.636 0.000) 4.364 14.744 ( -42.139 -33.478 0.000) 53.819 15.169 ( -8.850 -0.953 0.000) 8.901 15.752 ( -4.217 2.479 0.000) 4.891 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 26.650 -41.237 0.000) 49.100 2.151 ( 32.836 -37.926 0.000) 50.166 3.454 ( 41.950 -65.099 0.000) 77.444 5.232 ( -7.440 12.333 0.000) 14.403 5.417 ( -3.146 15.455 0.000) 15.772 5.878 ( 9.090 1.392 0.000) 9.196 6.004 ( 11.153 -7.901 0.000) 13.668 6.093 ( -1.424 -4.908 0.000) 5.111 6.194 ( 7.611 0.879 0.000) 7.662 6.479 ( 6.510 -0.027 0.000) 6.510 6.604 ( 9.112 -6.478 0.000) 11.180 6.991 ( -5.484 4.799 0.000) 7.288 7.009 ( -5.195 4.655 0.000) 6.975 7.225 ( 17.260 -4.009 0.000) 17.720 7.325 ( 2.038 6.964 0.000) 7.256 7.537 ( -18.559 -7.298 0.000) 19.942 7.537 ( -2.166 17.660 0.000) 17.792 7.668 ( 2.629 4.431 0.000) 5.152 7.719 ( 1.470 -9.379 0.000) 9.494 7.979 ( -1.300 -10.988 0.000) 11.064 8.248 ( -2.733 -14.108 0.000) 14.370 8.532 ( 2.172 -6.299 0.000) 6.663 8.559 ( -11.265 13.249 0.000) 17.391 8.799 ( 1.478 -5.769 0.000) 5.955 8.820 ( 7.667 2.147 0.000) 7.962 8.916 ( 1.602 9.053 0.000) 9.193 8.985 ( 2.609 -1.815 0.000) 3.178 9.131 ( -17.197 11.631 0.000) 20.761 9.171 ( -7.619 0.339 0.000) 7.627 9.199 ( -3.542 6.095 0.000) 7.049 9.344 ( 0.149 -3.231 0.000) 3.234 9.420 ( -7.550 -7.471 0.000) 10.622 9.496 ( 1.181 6.775 0.000) 6.877 9.718 ( -1.706 3.164 0.000) 3.594 9.798 ( -1.192 14.239 0.000) 14.288 9.849 ( -3.406 0.898 0.000) 3.522 9.992 ( -10.832 13.763 0.000) 17.515 10.179 ( -19.567 6.532 0.000) 20.628 10.201 ( -1.655 13.504 0.000) 13.605 10.491 ( 1.134 9.346 0.000) 9.415 10.638 ( -25.780 -2.698 0.000) 25.921 10.736 ( 2.737 -1.725 0.000) 3.235 10.879 ( -20.416 -0.082 0.000) 20.416 11.089 ( 6.400 -5.947 0.000) 8.737 11.187 ( -0.356 1.987 0.000) 2.019 11.367 ( 5.784 -7.624 0.000) 9.569 11.379 ( 6.390 -2.555 0.000) 6.882 11.655 ( 8.147 -2.659 0.000) 8.570 11.774 ( 1.213 -1.328 0.000) 1.799 11.805 ( -0.889 5.133 0.000) 5.209 11.912 ( 2.341 4.365 0.000) 4.953 12.075 ( 2.445 2.348 0.000) 3.390 12.137 ( 6.275 0.238 0.000) 6.280 12.263 ( 8.554 2.307 0.000) 8.859 12.425 ( -0.324 2.975 0.000) 2.992 12.475 ( 5.287 -1.644 0.000) 5.536 12.902 ( -4.997 -4.296 0.000) 6.590 12.930 ( 3.182 14.878 0.000) 15.214 13.078 ( 4.840 -0.575 0.000) 4.874 13.104 ( 8.014 -7.665 0.000) 11.090 13.207 ( 3.108 -6.612 0.000) 7.306 13.466 ( 10.010 -4.740 0.000) 11.075 13.676 ( 15.860 1.058 0.000) 15.896 13.759 ( -6.197 5.080 0.000) 8.013 13.881 ( -5.122 2.156 0.000) 5.557 13.899 ( 2.692 -2.558 0.000) 3.713 14.428 ( 10.691 -5.917 0.000) 12.219 14.537 ( 4.668 -16.289 0.000) 16.944 14.585 ( -16.033 -2.652 0.000) 16.251 14.815 ( -3.810 -6.912 0.000) 7.893 15.029 ( -13.255 0.350 0.000) 13.260 15.614 ( -8.246 4.573 0.000) 9.429 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.071 ( 23.065 -38.350 0.000) 44.752 3.143 ( 30.636 -33.563 0.000) 45.442 4.556 ( -1.906 -1.567 0.000) 2.467 4.791 ( -17.033 22.194 0.000) 27.976 5.369 ( 25.148 -31.878 0.000) 40.604 6.037 ( 12.241 -0.680 0.000) 12.260 6.130 ( -5.962 -6.947 0.000) 9.155 6.296 ( 5.856 -3.826 0.000) 6.995 6.308 ( 9.854 -9.688 0.000) 13.819 6.614 ( 10.316 -1.754 0.000) 10.464 6.766 ( -2.996 13.161 0.000) 13.497 6.817 ( 2.516 1.480 0.000) 2.919 6.931 ( 11.031 -0.477 0.000) 11.041 7.205 ( -5.922 15.250 0.000) 16.360 7.308 ( -0.524 0.158 0.000) 0.547 7.443 ( -14.873 -8.943 0.000) 17.354 7.537 ( 7.558 -9.954 0.000) 12.498 7.650 ( 13.745 7.620 0.000) 15.716 7.871 ( -10.337 23.680 0.000) 25.838 7.904 ( -10.736 9.248 0.000) 14.170 8.143 ( -1.184 -9.725 0.000) 9.797 8.457 ( -0.357 -12.253 0.000) 12.258 8.606 ( -4.760 -7.169 0.000) 8.605 8.626 ( -23.758 7.102 0.000) 24.797 8.808 ( -7.736 3.824 0.000) 8.629 8.863 ( 2.826 -3.336 0.000) 4.372 8.879 ( 3.748 4.799 0.000) 6.089 8.972 ( 5.113 7.898 0.000) 9.409 9.159 ( -3.832 -4.966 0.000) 6.273 9.169 ( 7.556 1.969 0.000) 7.808 9.342 ( 2.076 5.631 0.000) 6.002 9.392 ( -7.622 1.700 0.000) 7.810 9.465 ( -4.903 -5.985 0.000) 7.737 9.534 ( -2.703 13.153 0.000) 13.428 9.637 ( -8.256 -3.219 0.000) 8.861 9.749 ( -3.184 7.836 0.000) 8.459 9.760 ( -4.271 4.355 0.000) 6.100 9.856 ( -13.046 3.815 0.000) 13.593 10.081 ( 6.755 3.739 0.000) 7.720 10.370 ( -14.590 2.267 0.000) 14.765 10.433 ( 10.751 7.247 0.000) 12.965 10.657 ( -18.059 -2.634 0.000) 18.250 10.822 ( 1.909 -5.291 0.000) 5.625 11.123 ( -2.100 5.640 0.000) 6.018 11.277 ( 7.584 -5.740 0.000) 9.512 11.488 ( 1.650 -2.177 0.000) 2.732 11.546 ( 3.679 -7.350 0.000) 8.219 11.726 ( 1.034 3.341 0.000) 3.497 11.735 ( 2.170 -0.094 0.000) 2.172 11.839 ( 1.657 7.979 0.000) 8.149 11.851 ( -0.477 -7.425 0.000) 7.440 12.030 ( 2.217 5.656 0.000) 6.075 12.126 ( -3.296 0.613 0.000) 3.352 12.298 ( -0.176 11.882 0.000) 11.883 12.478 ( 17.458 -4.237 0.000) 17.965 12.585 ( 0.644 -9.956 0.000) 9.977 12.835 ( 2.545 3.606 0.000) 4.414 12.872 ( -4.603 -0.014 0.000) 4.604 13.156 ( 3.688 -0.289 0.000) 3.699 13.200 ( -10.591 -1.543 0.000) 10.703 13.296 ( 4.884 -3.569 0.000) 6.049 13.507 ( -4.429 12.133 0.000) 12.916 13.652 ( 8.400 -3.626 0.000) 9.149 13.855 ( -7.259 -4.371 0.000) 8.474 13.882 ( 18.397 -0.183 0.000) 18.398 14.132 ( 19.649 -4.870 0.000) 20.244 14.386 ( -17.429 0.502 0.000) 17.436 14.660 ( 5.508 -8.805 0.000) 10.385 14.757 ( -14.001 2.832 0.000) 14.284 14.842 ( 9.585 -10.447 0.000) 14.178 14.897 ( -3.084 0.474 0.000) 3.120 15.399 ( -11.658 6.036 0.000) 13.128 ======================= Grid point 4 (5/84) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.824 ( -1.688 -13.366 0.000) 13.472 3.824 ( 1.688 13.366 0.000) 13.472 4.197 ( 3.856 -10.483 0.000) 11.170 4.197 ( -3.856 10.483 0.000) 11.170 6.141 ( -9.479 -5.494 0.000) 10.956 6.141 ( 9.479 5.494 0.000) 10.956 6.335 ( 10.750 -17.098 0.000) 20.196 6.335 ( -10.750 17.098 0.000) 20.196 6.627 ( 8.574 -24.780 0.000) 26.222 6.627 ( -8.574 24.780 0.000) 26.222 6.704 ( 3.785 -3.882 0.000) 5.422 6.704 ( -3.785 3.882 0.000) 5.422 6.955 ( 7.932 -6.742 0.000) 10.410 6.955 ( -7.932 6.742 0.000) 10.410 7.200 ( -12.034 3.378 0.000) 12.499 7.200 ( 12.034 -3.378 0.000) 12.499 7.527 ( -1.033 -7.213 0.000) 7.287 7.527 ( 1.033 7.213 0.000) 7.287 7.892 ( 5.851 -6.965 0.000) 9.097 7.892 ( -5.851 6.965 0.000) 9.097 8.277 ( -17.310 -0.699 0.000) 17.324 8.277 ( 17.310 0.699 0.000) 17.324 8.628 ( 6.026 -6.341 0.000) 8.747 8.628 ( -6.026 6.341 0.000) 8.747 8.742 ( -2.899 -13.515 0.000) 13.823 8.742 ( 2.899 13.515 0.000) 13.823 9.034 ( 6.212 -4.633 0.000) 7.750 9.034 ( -6.212 4.633 0.000) 7.750 9.072 ( -8.904 -1.412 0.000) 9.016 9.072 ( 8.904 1.412 0.000) 9.016 9.325 ( 0.236 -2.007 0.000) 2.021 9.325 ( -0.236 2.007 0.000) 2.021 9.508 ( 2.757 -2.422 0.000) 3.670 9.508 ( -2.757 2.422 0.000) 3.670 9.561 ( -3.501 -6.906 0.000) 7.742 9.561 ( 3.501 6.906 0.000) 7.742 9.735 ( -4.189 1.525 0.000) 4.458 9.735 ( 4.189 -1.525 0.000) 4.458 10.189 ( -7.797 3.163 0.000) 8.414 10.189 ( 7.797 -3.163 0.000) 8.414 10.505 ( -16.223 -5.714 0.000) 17.200 10.505 ( 16.223 5.714 0.000) 17.200 10.964 ( 2.233 -8.775 0.000) 9.054 10.964 ( -2.233 8.775 0.000) 9.054 11.446 ( 6.153 -3.120 0.000) 6.899 11.446 ( -6.153 3.120 0.000) 6.899 11.704 ( 0.944 -7.985 0.000) 8.040 11.704 ( -0.944 7.985 0.000) 8.040 11.732 ( 0.424 -0.765 0.000) 0.874 11.732 ( -0.424 0.765 0.000) 0.874 11.970 ( -4.018 -8.330 0.000) 9.248 11.970 ( 4.018 8.330 0.000) 9.248 12.123 ( -0.892 -6.666 0.000) 6.725 12.123 ( 0.892 6.666 0.000) 6.725 12.739 ( -10.489 0.265 0.000) 10.493 12.739 ( 10.489 -0.265 0.000) 10.493 12.778 ( -4.960 1.926 0.000) 5.321 12.778 ( 4.960 -1.926 0.000) 5.321 13.136 ( -6.883 -7.805 0.000) 10.407 13.136 ( 6.883 7.805 0.000) 10.407 13.361 ( 1.807 -1.462 0.000) 2.325 13.361 ( -1.807 1.462 0.000) 2.325 13.795 ( -9.403 -0.931 0.000) 9.449 13.795 ( 9.403 0.931 0.000) 9.449 14.136 ( -18.271 1.693 0.000) 18.349 14.136 ( 18.271 -1.693 0.000) 18.349 14.469 ( -20.476 3.934 0.000) 20.851 14.469 ( 20.476 -3.934 0.000) 20.851 14.827 ( 0.414 -6.753 0.000) 6.766 14.827 ( -0.414 6.753 0.000) 6.766 15.130 ( 13.051 -7.192 0.000) 14.902 15.130 ( -13.051 7.192 0.000) 14.902 ======================= Grid point 10 (6/84) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 48.473 -0.000 0.000) 48.473 1.280 ( 49.411 -0.000 0.000) 49.411 2.131 ( 80.681 -0.000 0.000) 80.681 5.478 ( 4.094 -0.000 0.000) 4.094 5.625 ( 10.891 -0.000 0.000) 10.891 5.864 ( 12.208 -0.000 0.000) 12.208 6.017 ( -2.648 0.000 0.000) 2.648 6.094 ( 8.028 -0.000 0.000) 8.028 6.156 ( 0.934 -0.000 0.000) 0.934 6.428 ( -0.233 0.000 0.000) 0.233 6.447 ( -0.175 0.000 0.000) 0.175 6.996 ( -5.037 0.000 0.000) 5.037 7.008 ( -15.912 0.000 0.000) 15.912 7.172 ( 16.869 -0.000 0.000) 16.869 7.390 ( -21.093 0.000 0.000) 21.093 7.471 ( 0.499 -0.000 0.000) 0.499 7.607 ( -1.945 0.000 0.000) 1.945 7.752 ( 5.458 -0.000 0.000) 5.458 7.825 ( 1.504 -0.000 0.000) 1.504 7.930 ( 0.288 -0.000 0.000) 0.288 8.065 ( 3.581 -0.000 0.000) 3.581 8.422 ( -1.277 0.000 0.000) 1.277 8.660 ( -9.849 0.000 0.000) 9.849 8.663 ( 1.380 -0.000 0.000) 1.380 8.860 ( 9.544 -0.000 0.000) 9.544 8.901 ( 1.555 -0.000 0.000) 1.555 9.056 ( -10.262 0.000 0.000) 10.262 9.129 ( 1.342 -0.000 0.000) 1.342 9.208 ( -7.115 0.000 0.000) 7.115 9.279 ( -13.125 0.000 0.000) 13.125 9.301 ( 10.339 -0.000 0.000) 10.339 9.342 ( -7.496 0.000 0.000) 7.496 9.727 ( -5.991 0.000 0.000) 5.991 9.887 ( 3.879 -0.000 0.000) 3.879 9.969 ( -4.241 0.000 0.000) 4.241 10.141 ( -10.491 0.000 0.000) 10.491 10.227 ( -23.495 0.000 0.000) 23.495 10.379 ( -11.735 0.000 0.000) 11.735 10.450 ( -5.052 0.000 0.000) 5.052 10.499 ( -23.371 0.000 0.000) 23.371 10.619 ( -4.714 0.000 0.000) 4.714 10.640 ( -1.752 0.000 0.000) 1.752 10.844 ( -20.082 0.000 0.000) 20.082 10.940 ( 5.535 -0.000 0.000) 5.535 11.106 ( -0.843 0.000 0.000) 0.843 11.227 ( -5.646 0.000 0.000) 5.646 11.343 ( 4.197 -0.000 0.000) 4.197 11.622 ( 15.391 -0.000 0.000) 15.391 11.907 ( -2.758 0.000 0.000) 2.758 11.949 ( 15.903 -0.000 0.000) 15.903 12.040 ( 7.893 -0.000 0.000) 7.893 12.109 ( 7.146 -0.000 0.000) 7.146 12.149 ( -1.139 0.000 0.000) 1.139 12.314 ( 4.312 -0.000 0.000) 4.312 12.557 ( 0.887 -0.000 0.000) 0.887 12.673 ( -9.780 0.000 0.000) 9.780 12.884 ( -3.161 0.000 0.000) 3.161 13.050 ( -0.909 0.000 0.000) 0.909 13.073 ( 21.650 -0.000 0.000) 21.650 13.224 ( 6.847 -0.000 0.000) 6.847 13.340 ( 10.721 -0.000 0.000) 10.721 13.408 ( -2.037 0.000 0.000) 2.037 13.502 ( -2.252 0.000 0.000) 2.252 13.715 ( 21.260 -0.000 0.000) 21.260 13.750 ( -3.229 0.000 0.000) 3.229 13.854 ( -5.405 0.000 0.000) 5.405 13.930 ( -0.391 0.000 0.000) 0.391 14.080 ( -7.720 0.000 0.000) 7.720 14.419 ( 17.444 -0.000 0.000) 17.444 14.768 ( 6.281 -0.000 0.000) 6.281 15.037 ( -12.650 0.000 0.000) 12.650 15.693 ( -8.137 0.000 0.000) 8.137 ======================= Grid point 11 (7/84) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 42.481 -20.462 0.000) 47.152 2.126 ( 43.599 -24.410 0.000) 49.968 3.383 ( 67.604 -30.046 0.000) 73.980 5.410 ( 0.195 13.668 0.000) 13.669 5.663 ( 4.252 12.440 0.000) 13.147 5.986 ( -3.909 -1.305 0.000) 4.121 6.056 ( 7.159 7.815 0.000) 10.598 6.067 ( 10.969 -4.786 0.000) 11.967 6.212 ( 0.524 -3.481 0.000) 3.520 6.482 ( 0.927 -5.042 0.000) 5.127 6.587 ( 8.529 -11.948 0.000) 14.680 6.804 ( -19.345 -3.986 0.000) 19.752 6.942 ( -5.112 -1.296 0.000) 5.274 7.142 ( -23.359 -6.158 0.000) 24.157 7.386 ( 11.601 -2.850 0.000) 11.946 7.449 ( -1.474 5.693 0.000) 5.880 7.599 ( -0.182 -5.461 0.000) 5.464 7.770 ( -2.973 13.510 0.000) 13.833 7.851 ( 2.384 2.582 0.000) 3.515 7.932 ( 18.873 -0.798 0.000) 18.890 8.117 ( 4.239 0.151 0.000) 4.242 8.411 ( -6.495 -4.054 0.000) 7.657 8.509 ( -14.437 0.873 0.000) 14.464 8.646 ( -12.460 -9.526 0.000) 15.685 8.896 ( 1.140 3.474 0.000) 3.656 8.970 ( -1.571 2.047 0.000) 2.580 8.996 ( -18.906 3.503 0.000) 19.228 9.007 ( -10.875 -10.528 0.000) 15.136 9.130 ( 1.778 -1.681 0.000) 2.447 9.138 ( 5.641 4.142 0.000) 6.998 9.327 ( 0.235 10.204 0.000) 10.206 9.406 ( 7.223 -0.967 0.000) 7.288 9.569 ( -8.469 2.193 0.000) 8.748 9.808 ( -2.568 8.620 0.000) 8.994 9.890 ( -17.169 4.598 0.000) 17.774 9.902 ( -13.566 6.691 0.000) 15.126 9.912 ( 3.814 4.978 0.000) 6.271 10.107 ( -8.603 9.211 0.000) 12.604 10.320 ( -16.272 -3.448 0.000) 16.633 10.375 ( -2.601 4.073 0.000) 4.833 10.498 ( -5.097 4.415 0.000) 6.743 10.711 ( -4.943 0.970 0.000) 5.037 10.732 ( -0.243 -9.214 0.000) 9.217 11.020 ( 4.604 -4.367 0.000) 6.346 11.199 ( 0.930 0.885 0.000) 1.284 11.236 ( 1.047 -11.299 0.000) 11.348 11.397 ( -0.257 -4.720 0.000) 4.727 11.757 ( 7.912 1.047 0.000) 7.981 11.838 ( -3.641 2.524 0.000) 4.430 12.009 ( 6.787 12.316 0.000) 14.063 12.048 ( 6.236 7.389 0.000) 9.669 12.202 ( 6.609 1.114 0.000) 6.702 12.205 ( 8.787 3.734 0.000) 9.547 12.357 ( -3.533 -2.778 0.000) 4.494 12.468 ( 0.735 6.681 0.000) 6.721 12.524 ( -1.320 1.298 0.000) 1.851 12.838 ( 2.483 6.808 0.000) 7.246 12.944 ( -3.224 -9.497 0.000) 10.029 13.187 ( 8.152 2.948 0.000) 8.669 13.231 ( -1.705 14.203 0.000) 14.305 13.316 ( 13.875 5.214 0.000) 14.822 13.494 ( 4.452 -3.834 0.000) 5.875 13.641 ( -8.572 -5.447 0.000) 10.156 13.833 ( 3.881 -2.898 0.000) 4.844 13.869 ( -6.799 -4.476 0.000) 8.140 14.026 ( -15.631 -16.914 0.000) 23.031 14.029 ( 24.501 -1.291 0.000) 24.535 14.158 ( 1.440 -17.899 0.000) 17.957 14.667 ( 18.848 -1.635 0.000) 18.919 14.827 ( -10.858 1.365 0.000) 10.944 14.854 ( -0.819 -0.806 0.000) 1.149 15.546 ( -11.470 2.543 0.000) 11.749 ======================= Grid point 12 (8/84) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( 35.086 -25.427 0.000) 43.331 3.090 ( 38.875 -28.066 0.000) 47.948 4.582 ( 34.864 -16.989 0.000) 38.783 5.030 ( -7.953 26.088 0.000) 27.274 5.435 ( 12.031 7.039 0.000) 13.939 5.950 ( -7.917 -4.316 0.000) 9.017 6.117 ( 6.114 -3.439 0.000) 7.015 6.269 ( 4.808 -6.615 0.000) 8.178 6.294 ( 1.439 -3.952 0.000) 4.206 6.590 ( -3.288 -6.745 0.000) 7.503 6.661 ( -17.626 -7.738 0.000) 19.249 6.872 ( -2.802 3.631 0.000) 4.587 6.932 ( 10.669 -12.985 0.000) 16.807 7.062 ( -14.526 -13.278 0.000) 19.680 7.284 ( -7.555 4.670 0.000) 8.882 7.370 ( -12.342 19.136 0.000) 22.771 7.572 ( 7.835 -4.101 0.000) 8.843 7.777 ( 2.994 -12.345 0.000) 12.703 7.796 ( -2.111 4.215 0.000) 4.714 8.164 ( -17.169 22.135 0.000) 28.013 8.199 ( -1.677 -10.063 0.000) 10.202 8.283 ( 27.703 -1.613 0.000) 27.750 8.402 ( -5.544 -7.412 0.000) 9.256 8.467 ( -26.378 16.094 0.000) 30.900 8.676 ( -21.928 5.633 0.000) 22.640 8.748 ( -0.588 -10.836 0.000) 10.852 8.907 ( -1.737 -1.466 0.000) 2.273 9.058 ( -5.285 -8.037 0.000) 9.619 9.175 ( 6.251 7.209 0.000) 9.542 9.238 ( 1.097 -4.509 0.000) 4.641 9.293 ( 7.377 -1.420 0.000) 7.512 9.395 ( -1.659 7.088 0.000) 7.279 9.457 ( 2.098 4.663 0.000) 5.113 9.674 ( -0.814 10.671 0.000) 10.702 9.697 ( 4.250 5.484 0.000) 6.938 9.725 ( -9.131 -1.028 0.000) 9.189 9.825 ( 1.538 5.971 0.000) 6.166 9.907 ( 0.076 8.992 0.000) 8.992 10.172 ( -12.117 -1.796 0.000) 12.249 10.250 ( 2.866 9.137 0.000) 9.576 10.492 ( 2.524 -6.160 0.000) 6.657 10.597 ( -1.964 8.393 0.000) 8.620 10.862 ( 3.917 -3.026 0.000) 4.950 11.178 ( -0.701 2.356 0.000) 2.458 11.205 ( 3.011 -11.411 0.000) 11.802 11.420 ( 0.242 -9.705 0.000) 9.708 11.470 ( -0.329 -2.659 0.000) 2.679 11.768 ( -0.803 1.983 0.000) 2.139 11.813 ( 6.350 3.112 0.000) 7.071 11.899 ( 4.145 7.295 0.000) 8.390 11.965 ( -0.081 9.273 0.000) 9.274 12.088 ( -7.560 4.853 0.000) 8.983 12.203 ( 6.038 4.080 0.000) 7.288 12.397 ( -4.422 -5.655 0.000) 7.179 12.454 ( 1.827 5.898 0.000) 6.175 12.599 ( 9.590 -4.567 0.000) 10.621 12.811 ( 1.146 0.743 0.000) 1.366 12.893 ( -7.257 4.841 0.000) 8.723 13.041 ( -10.374 1.662 0.000) 10.506 13.254 ( 8.531 2.343 0.000) 8.847 13.400 ( 10.216 1.579 0.000) 10.338 13.581 ( -8.005 -0.181 0.000) 8.007 13.662 ( 7.135 -7.448 0.000) 10.314 13.749 ( -3.470 5.338 0.000) 6.367 14.003 ( 8.333 -5.868 0.000) 10.192 14.035 ( -20.096 -9.824 0.000) 22.369 14.369 ( 23.257 -2.156 0.000) 23.357 14.457 ( 2.934 -14.971 0.000) 15.255 14.563 ( -20.979 1.455 0.000) 21.030 14.922 ( 3.481 0.084 0.000) 3.482 14.941 ( 16.935 -3.463 0.000) 17.285 15.327 ( -12.858 4.533 0.000) 13.634 ======================= Grid point 13 (9/84) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.685 ( 20.413 -16.928 0.000) 26.519 3.993 ( 34.672 -23.247 0.000) 41.744 4.357 ( -8.754 34.837 0.000) 35.920 4.448 ( -5.953 26.260 0.000) 26.927 5.912 ( -11.986 -5.753 0.000) 13.295 6.151 ( 21.817 -27.019 0.000) 34.728 6.302 ( 8.566 -3.600 0.000) 9.291 6.354 ( -7.592 -10.805 0.000) 13.205 6.367 ( -3.582 -1.418 0.000) 3.853 6.590 ( -10.879 -6.100 0.000) 12.473 6.641 ( 0.681 -9.760 0.000) 9.784 6.777 ( -1.772 3.515 0.000) 3.937 6.905 ( -14.352 8.671 0.000) 16.768 6.990 ( -14.858 6.054 0.000) 16.044 7.222 ( 4.849 -6.869 0.000) 8.408 7.227 ( -20.023 7.064 0.000) 21.232 7.301 ( -11.070 20.882 0.000) 23.635 7.672 ( 6.599 4.725 0.000) 8.116 7.796 ( 1.019 -8.683 0.000) 8.743 7.954 ( -5.932 11.114 0.000) 12.598 8.109 ( 0.117 -12.136 0.000) 12.137 8.357 ( -5.441 -15.172 0.000) 16.118 8.448 ( -15.737 -7.961 0.000) 17.636 8.511 ( 0.727 -9.977 0.000) 10.003 8.666 ( 23.849 -1.479 0.000) 23.895 8.902 ( -0.216 3.838 0.000) 3.845 8.913 ( -1.017 -6.981 0.000) 7.055 9.061 ( -0.163 4.603 0.000) 4.605 9.120 ( -4.088 12.756 0.000) 13.395 9.142 ( 1.359 1.541 0.000) 2.054 9.289 ( -4.619 -3.527 0.000) 5.812 9.379 ( -0.003 -5.393 0.000) 5.393 9.472 ( 10.466 9.624 0.000) 14.218 9.618 ( 5.984 0.913 0.000) 6.053 9.650 ( 1.813 -1.297 0.000) 2.229 9.663 ( 4.811 8.296 0.000) 9.589 9.775 ( -0.547 5.439 0.000) 5.467 9.847 ( 8.367 1.575 0.000) 8.514 10.081 ( -5.951 -0.089 0.000) 5.952 10.286 ( 15.849 -0.581 0.000) 15.859 10.399 ( -3.965 10.361 0.000) 11.094 10.689 ( 9.815 -6.399 0.000) 11.716 10.939 ( 4.120 -1.330 0.000) 4.330 11.107 ( 1.533 6.893 0.000) 7.062 11.428 ( 2.711 -9.875 0.000) 10.241 11.436 ( -3.964 3.232 0.000) 5.115 11.548 ( -2.557 -8.046 0.000) 8.443 11.720 ( -4.312 3.429 0.000) 5.509 11.763 ( -3.523 5.325 0.000) 6.385 11.810 ( 0.411 5.833 0.000) 5.847 11.915 ( 6.199 0.406 0.000) 6.212 11.994 ( -2.352 -3.817 0.000) 4.483 12.172 ( -0.056 10.049 0.000) 10.049 12.249 ( 1.893 7.841 0.000) 8.066 12.585 ( -5.480 -5.465 0.000) 7.739 12.675 ( -6.659 -1.926 0.000) 6.932 12.721 ( -6.704 -3.529 0.000) 7.576 12.863 ( 6.800 1.120 0.000) 6.891 12.928 ( -6.673 -4.485 0.000) 8.040 13.306 ( 6.637 3.783 0.000) 7.640 13.466 ( -1.044 5.170 0.000) 5.275 13.471 ( 7.732 4.523 0.000) 8.957 13.651 ( -6.181 -0.041 0.000) 6.181 13.862 ( -19.941 -1.955 0.000) 20.036 13.884 ( 8.853 -5.270 0.000) 10.303 14.199 ( 4.429 -8.252 0.000) 9.366 14.267 ( -19.353 2.482 0.000) 19.512 14.673 ( 18.407 -1.838 0.000) 18.498 14.715 ( 5.597 -10.525 0.000) 11.921 14.865 ( -9.034 4.714 0.000) 10.190 15.123 ( -4.124 5.281 0.000) 6.701 15.203 ( 13.186 -4.966 0.000) 14.090 ======================= Grid point 14 (10/84) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.402 ( -17.463 35.876 0.000) 39.901 3.541 ( -11.314 45.102 0.000) 46.500 4.614 ( 23.027 -13.057 0.000) 26.471 4.748 ( 26.278 -17.763 0.000) 31.718 5.760 ( -22.292 25.513 0.000) 33.880 5.895 ( -13.556 25.266 0.000) 28.672 6.287 ( -15.009 -1.915 0.000) 15.131 6.291 ( -15.078 12.726 0.000) 19.731 6.318 ( 1.514 7.336 0.000) 7.491 6.410 ( -13.072 3.637 0.000) 13.569 6.583 ( 3.081 -13.156 0.000) 13.512 6.632 ( -6.042 -10.760 0.000) 12.341 6.725 ( -11.040 -4.884 0.000) 12.072 7.056 ( 0.520 -7.161 0.000) 7.180 7.257 ( -19.475 -7.209 0.000) 20.766 7.258 ( -5.424 -0.686 0.000) 5.467 7.515 ( 22.096 -37.088 0.000) 43.171 7.744 ( 4.573 8.625 0.000) 9.763 7.746 ( 11.848 0.391 0.000) 11.854 7.954 ( 8.027 -1.843 0.000) 8.236 8.360 ( 10.068 -0.715 0.000) 10.093 8.466 ( -4.482 -6.812 0.000) 8.155 8.544 ( -5.712 -15.692 0.000) 16.699 8.703 ( -0.029 -12.070 0.000) 12.070 8.759 ( -1.878 6.509 0.000) 6.774 8.766 ( -10.650 1.469 0.000) 10.751 8.871 ( -1.924 10.670 0.000) 10.842 8.977 ( 12.763 -3.259 0.000) 13.172 9.051 ( -3.004 -2.739 0.000) 4.065 9.210 ( -1.499 -7.733 0.000) 7.877 9.343 ( 1.423 -7.795 0.000) 7.924 9.380 ( 3.288 12.723 0.000) 13.141 9.549 ( 5.891 3.824 0.000) 7.023 9.580 ( 3.174 4.298 0.000) 5.343 9.665 ( -0.781 -1.294 0.000) 1.512 9.667 ( 8.218 -5.315 0.000) 9.787 9.933 ( 3.749 -2.473 0.000) 4.491 9.946 ( 9.291 -4.378 0.000) 10.271 10.015 ( 8.935 0.176 0.000) 8.937 10.203 ( -4.858 5.460 0.000) 7.308 10.628 ( 30.393 -2.696 0.000) 30.512 10.880 ( 8.504 -1.035 0.000) 8.567 10.998 ( 4.237 10.864 0.000) 11.661 11.042 ( 0.478 -6.478 0.000) 6.495 11.285 ( -6.051 6.678 0.000) 9.012 11.506 ( -3.359 -0.771 0.000) 3.446 11.548 ( -9.319 5.126 0.000) 10.636 11.630 ( -4.073 -5.055 0.000) 6.492 11.705 ( 2.778 -4.287 0.000) 5.108 11.773 ( 1.667 3.339 0.000) 3.732 11.982 ( -2.707 7.692 0.000) 8.155 11.998 ( 4.890 -1.329 0.000) 5.067 12.109 ( 0.981 -8.859 0.000) 8.913 12.166 ( -3.592 4.619 0.000) 5.852 12.360 ( -9.969 5.835 0.000) 11.551 12.559 ( -12.708 -0.244 0.000) 12.710 12.849 ( 0.719 5.414 0.000) 5.461 12.856 ( 0.508 -4.393 0.000) 4.422 13.054 ( 0.110 -13.707 0.000) 13.707 13.287 ( -5.818 4.629 0.000) 7.435 13.393 ( 3.537 4.110 0.000) 5.422 13.479 ( 5.348 2.468 0.000) 5.890 13.543 ( -12.985 -1.132 0.000) 13.034 13.680 ( -5.616 1.861 0.000) 5.917 14.005 ( 6.424 2.692 0.000) 6.966 14.016 ( -10.039 3.858 0.000) 10.755 14.392 ( 1.091 -10.773 0.000) 10.828 14.586 ( -17.418 5.944 0.000) 18.404 14.881 ( 10.876 -1.342 0.000) 10.958 14.955 ( 10.305 -5.808 0.000) 11.829 15.007 ( 1.846 9.582 0.000) 9.758 15.433 ( 8.862 -5.767 0.000) 10.573 ======================= Grid point 15 (11/84) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( -15.138 44.556 0.000) 47.057 2.630 ( -9.693 49.631 0.000) 50.569 4.274 ( -12.785 73.336 0.000) 74.443 5.207 ( 12.431 -7.405 0.000) 14.469 5.265 ( 6.834 -11.184 0.000) 13.107 5.772 ( -3.940 -3.198 0.000) 5.074 6.004 ( -15.310 -0.419 0.000) 15.316 6.032 ( -6.849 10.301 0.000) 12.370 6.189 ( -5.365 5.469 0.000) 7.661 6.315 ( -5.049 -6.731 0.000) 8.414 6.604 ( -3.495 3.194 0.000) 4.735 6.813 ( -3.748 -13.766 0.000) 14.267 6.910 ( 6.813 -15.574 0.000) 16.999 7.080 ( -10.990 -0.619 0.000) 11.007 7.185 ( -6.690 -1.081 0.000) 6.776 7.285 ( 1.128 -15.500 0.000) 15.541 7.711 ( 3.864 4.437 0.000) 5.884 7.786 ( 2.825 2.658 0.000) 3.879 7.921 ( 10.108 10.715 0.000) 14.730 8.248 ( 2.676 17.992 0.000) 18.190 8.395 ( 13.618 -25.225 0.000) 28.666 8.503 ( -1.356 -1.831 0.000) 2.278 8.573 ( 2.061 16.030 0.000) 16.162 8.621 ( -10.407 -6.111 0.000) 12.068 8.733 ( -4.543 -11.571 0.000) 12.431 8.880 ( -1.195 1.224 0.000) 1.711 8.886 ( -0.886 -9.082 0.000) 9.125 9.096 ( -0.422 -8.561 0.000) 8.571 9.207 ( 10.339 -6.832 0.000) 12.392 9.209 ( 1.846 -1.068 0.000) 2.133 9.313 ( -2.036 -1.783 0.000) 2.706 9.455 ( -2.194 2.157 0.000) 3.076 9.571 ( 1.546 -9.599 0.000) 9.723 9.586 ( 5.557 2.931 0.000) 6.283 9.682 ( -1.420 -0.648 0.000) 1.561 9.834 ( 1.047 -11.118 0.000) 11.167 9.870 ( -2.848 -0.867 0.000) 2.977 10.120 ( -6.982 -6.283 0.000) 9.393 10.306 ( 23.261 -8.946 0.000) 24.922 10.322 ( 19.901 -4.093 0.000) 20.318 10.875 ( 4.161 10.369 0.000) 11.173 10.904 ( -13.247 -5.521 0.000) 14.352 11.085 ( 7.197 2.431 0.000) 7.596 11.093 ( -6.398 6.197 0.000) 8.907 11.094 ( 25.744 -4.137 0.000) 26.075 11.319 ( -13.180 5.344 0.000) 14.222 11.517 ( 9.151 2.070 0.000) 9.382 11.689 ( -3.560 -6.983 0.000) 7.838 11.697 ( -0.944 7.368 0.000) 7.429 11.831 ( 2.659 -4.570 0.000) 5.287 11.859 ( -0.439 5.137 0.000) 5.156 12.032 ( -7.162 -0.160 0.000) 7.164 12.050 ( 0.994 -0.317 0.000) 1.044 12.232 ( -7.299 -5.401 0.000) 9.080 12.236 ( -0.072 3.864 0.000) 3.864 12.418 ( -8.490 -4.691 0.000) 9.700 12.796 ( 1.562 0.956 0.000) 1.831 12.916 ( -0.283 -3.819 0.000) 3.829 13.008 ( -18.354 5.016 0.000) 19.027 13.142 ( 1.128 4.967 0.000) 5.093 13.354 ( 1.575 8.482 0.000) 8.627 13.411 ( -5.657 2.843 0.000) 6.331 13.581 ( -3.871 3.284 0.000) 5.076 13.631 ( 3.588 -13.419 0.000) 13.890 13.949 ( 6.253 1.503 0.000) 6.431 13.986 ( 2.741 5.708 0.000) 6.332 14.281 ( -16.651 3.773 0.000) 17.074 14.547 ( -1.078 -7.707 0.000) 7.782 14.828 ( 1.463 15.316 0.000) 15.386 15.013 ( 8.096 -0.175 0.000) 8.098 15.152 ( 8.436 -3.548 0.000) 9.152 15.611 ( 4.399 -5.600 0.000) 7.121 ======================= Grid point 16 (12/84) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 0.000 49.232 0.000) 49.232 1.723 ( 0.000 52.542 0.000) 52.542 2.853 ( 0.000 85.090 0.000) 85.090 5.347 ( -0.000 -3.193 0.000) 3.193 5.424 ( -0.000 -3.405 0.000) 3.405 5.831 ( 0.000 8.343 0.000) 8.343 5.852 ( -0.000 -3.516 0.000) 3.516 5.976 ( -0.000 -10.603 0.000) 10.603 6.086 ( 0.000 3.325 0.000) 3.325 6.395 ( -0.000 -5.179 0.000) 5.179 6.515 ( 0.000 4.678 0.000) 4.678 6.929 ( -0.000 -2.040 0.000) 2.040 7.071 ( -0.000 -7.723 0.000) 7.723 7.100 ( 0.000 1.795 0.000) 1.795 7.257 ( -0.000 -16.179 0.000) 16.179 7.567 ( -0.000 -17.110 0.000) 17.110 7.685 ( 0.000 1.177 0.000) 1.177 7.697 ( 0.000 7.830 0.000) 7.830 7.839 ( 0.000 7.992 0.000) 7.992 8.000 ( 0.000 13.135 0.000) 13.135 8.340 ( 0.000 14.873 0.000) 14.873 8.429 ( 0.000 9.468 0.000) 9.468 8.629 ( -0.000 -3.697 0.000) 3.697 8.721 ( -0.000 -7.436 0.000) 7.436 8.727 ( 0.000 7.334 0.000) 7.334 8.859 ( -0.000 -6.434 0.000) 6.434 9.002 ( -0.000 -5.853 0.000) 5.853 9.208 ( 0.000 1.088 0.000) 1.088 9.232 ( 0.000 4.907 0.000) 4.907 9.362 ( -0.000 -1.820 0.000) 1.820 9.415 ( -0.000 -10.847 0.000) 10.847 9.489 ( -0.000 -14.794 0.000) 14.794 9.535 ( 0.000 9.682 0.000) 9.682 9.679 ( -0.000 -1.747 0.000) 1.747 9.831 ( -0.000 -19.064 0.000) 19.064 9.895 ( -0.000 -3.163 0.000) 3.163 10.081 ( -0.000 -16.970 0.000) 16.970 10.267 ( -0.000 -15.702 0.000) 15.702 10.559 ( -0.000 -6.820 0.000) 6.820 10.634 ( -0.000 -2.558 0.000) 2.558 10.776 ( 0.000 5.780 0.000) 5.780 10.868 ( -0.000 -11.176 0.000) 11.176 10.974 ( 0.000 1.838 0.000) 1.838 11.013 ( 0.000 6.469 0.000) 6.469 11.100 ( 0.000 6.428 0.000) 6.428 11.473 ( -0.000 -6.969 0.000) 6.969 11.530 ( 0.000 10.936 0.000) 10.936 11.584 ( 0.000 0.697 0.000) 0.697 11.720 ( -0.000 -4.140 0.000) 4.140 11.809 ( 0.000 1.955 0.000) 1.955 11.869 ( 0.000 2.359 0.000) 2.359 11.984 ( 0.000 1.281 0.000) 1.281 12.097 ( -0.000 -4.240 0.000) 4.240 12.120 ( 0.000 1.475 0.000) 1.475 12.189 ( 0.000 1.785 0.000) 1.785 12.440 ( 0.000 3.544 0.000) 3.544 12.805 ( 0.000 1.874 0.000) 1.874 12.912 ( -0.000 -14.397 0.000) 14.397 12.979 ( -0.000 -3.944 0.000) 3.944 13.011 ( 0.000 9.845 0.000) 9.845 13.192 ( 0.000 11.693 0.000) 11.693 13.305 ( 0.000 3.589 0.000) 3.589 13.497 ( 0.000 3.890 0.000) 3.890 13.847 ( -0.000 -2.016 0.000) 2.016 13.963 ( -0.000 -7.154 0.000) 7.154 14.052 ( 0.000 3.198 0.000) 3.198 14.069 ( -0.000 -1.787 0.000) 1.787 14.549 ( 0.000 19.995 0.000) 19.995 14.620 ( -0.000 -3.068 0.000) 3.068 15.081 ( -0.000 -0.536 0.000) 0.536 15.267 ( -0.000 -2.218 0.000) 2.218 15.722 ( -0.000 -4.451 0.000) 4.451 ======================= Grid point 19 (13/84) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( 45.896 -0.000 0.000) 45.896 2.512 ( 46.655 -0.000 0.000) 46.655 4.055 ( 68.195 -0.000 0.000) 68.195 5.565 ( 0.893 -0.000 0.000) 0.893 5.854 ( 6.580 -0.000 0.000) 6.580 5.942 ( -2.755 0.000 0.000) 2.755 6.145 ( 6.659 -0.000 0.000) 6.659 6.166 ( -0.220 0.000 0.000) 0.220 6.241 ( -4.659 0.000 0.000) 4.659 6.364 ( -8.584 0.000 0.000) 8.584 6.465 ( 3.431 -0.000 0.000) 3.431 6.520 ( -16.103 0.000 0.000) 16.103 6.755 ( -26.875 0.000 0.000) 26.875 6.882 ( -0.996 0.000 0.000) 0.996 7.431 ( 2.379 -0.000 0.000) 2.379 7.478 ( -0.121 0.000 0.000) 0.121 7.553 ( -2.090 0.000 0.000) 2.090 7.844 ( 0.030 -0.000 0.000) 0.030 7.918 ( 0.817 -0.000 0.000) 0.817 8.102 ( -34.924 0.000 0.000) 34.924 8.251 ( 18.060 -0.000 0.000) 18.060 8.254 ( -25.797 0.000 0.000) 25.797 8.312 ( 13.755 -0.000 0.000) 13.755 8.410 ( 12.374 -0.000 0.000) 12.374 8.693 ( -26.408 0.000 0.000) 26.408 8.791 ( -8.428 0.000 0.000) 8.428 8.861 ( -10.177 0.000 0.000) 10.177 9.082 ( 9.136 -0.000 0.000) 9.136 9.236 ( 12.089 -0.000 0.000) 12.089 9.241 ( 3.245 -0.000 0.000) 3.245 9.365 ( -10.704 0.000 0.000) 10.704 9.465 ( -2.372 0.000 0.000) 2.372 9.502 ( 7.823 -0.000 0.000) 7.823 9.788 ( -1.931 0.000 0.000) 1.931 9.817 ( -6.618 0.000 0.000) 6.618 9.826 ( -5.835 0.000 0.000) 5.835 10.104 ( 13.597 -0.000 0.000) 13.597 10.125 ( -6.035 0.000 0.000) 6.035 10.158 ( -5.307 0.000 0.000) 5.307 10.261 ( -9.500 0.000 0.000) 9.500 10.535 ( -1.173 0.000 0.000) 1.173 10.592 ( -1.638 0.000 0.000) 1.638 10.699 ( 1.499 -0.000 0.000) 1.499 11.062 ( -2.834 0.000 0.000) 2.834 11.162 ( 10.361 -0.000 0.000) 10.361 11.258 ( 4.709 -0.000 0.000) 4.709 11.269 ( -7.240 0.000 0.000) 7.240 11.805 ( -4.092 0.000 0.000) 4.092 11.863 ( 7.098 -0.000 0.000) 7.098 12.034 ( -11.020 0.000 0.000) 11.020 12.230 ( -8.073 0.000 0.000) 8.073 12.258 ( 9.435 -0.000 0.000) 9.435 12.365 ( 6.722 -0.000 0.000) 6.722 12.412 ( -7.424 0.000 0.000) 7.424 12.431 ( 15.840 -0.000 0.000) 15.840 12.547 ( 3.408 -0.000 0.000) 3.408 12.780 ( -6.124 0.000 0.000) 6.124 12.985 ( -3.824 0.000 0.000) 3.824 13.342 ( -4.165 0.000 0.000) 4.165 13.374 ( -0.551 0.000 0.000) 0.551 13.387 ( -10.669 0.000 0.000) 10.669 13.422 ( 7.376 -0.000 0.000) 7.376 13.591 ( 12.525 -0.000 0.000) 12.525 13.633 ( -5.725 0.000 0.000) 5.725 13.779 ( 3.557 -0.000 0.000) 3.557 13.902 ( -4.283 0.000 0.000) 4.283 14.092 ( 10.938 -0.000 0.000) 10.938 14.353 ( 24.547 -0.000 0.000) 24.547 14.582 ( -21.893 0.000 0.000) 21.893 14.892 ( 17.814 -0.000 0.000) 17.814 14.916 ( 4.349 -0.000 0.000) 4.349 15.405 ( -13.483 0.000 0.000) 13.483 ======================= Grid point 20 (14/84) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.129 ( 41.586 -10.752 0.000) 42.953 3.241 ( 42.884 -16.745 0.000) 46.037 4.938 ( 48.735 -7.016 0.000) 49.238 5.371 ( -4.419 21.591 0.000) 22.039 5.770 ( 4.662 14.680 0.000) 15.402 5.800 ( -10.946 2.821 0.000) 11.303 6.062 ( -12.222 -2.421 0.000) 12.460 6.221 ( -1.178 0.881 0.000) 1.471 6.222 ( 0.193 -2.769 0.000) 2.776 6.291 ( -9.661 -8.525 0.000) 12.884 6.340 ( -14.212 -8.214 0.000) 16.415 6.568 ( -17.212 -17.360 0.000) 24.447 6.813 ( 7.689 -18.262 0.000) 19.815 6.918 ( 3.532 -0.984 0.000) 3.667 7.322 ( -11.021 13.925 0.000) 17.759 7.456 ( -20.365 15.156 0.000) 25.386 7.503 ( -2.259 -4.464 0.000) 5.003 7.607 ( 0.594 -9.667 0.000) 9.685 7.872 ( 0.288 3.477 0.000) 3.489 7.966 ( -24.778 -9.959 0.000) 26.704 7.976 ( -8.261 -7.099 0.000) 10.892 8.266 ( -2.121 -2.949 0.000) 3.632 8.361 ( -16.075 7.915 0.000) 17.917 8.571 ( 11.518 -5.918 0.000) 12.950 8.699 ( -12.537 10.178 0.000) 16.149 8.725 ( 7.763 -3.114 0.000) 8.364 8.880 ( 23.439 -7.697 0.000) 24.670 8.884 ( -7.896 14.430 0.000) 16.449 9.208 ( -6.911 -0.618 0.000) 6.939 9.316 ( 2.889 5.405 0.000) 6.128 9.399 ( 4.247 -5.430 0.000) 6.893 9.486 ( 7.078 2.308 0.000) 7.445 9.572 ( 4.015 4.143 0.000) 5.769 9.648 ( 4.272 7.382 0.000) 8.529 9.711 ( -4.933 0.776 0.000) 4.994 9.922 ( 8.137 5.353 0.000) 9.740 10.011 ( -2.116 3.607 0.000) 4.182 10.045 ( 4.733 8.030 0.000) 9.321 10.071 ( -3.993 2.343 0.000) 4.629 10.386 ( 0.592 -5.778 0.000) 5.808 10.470 ( 11.974 6.497 0.000) 13.623 10.712 ( 2.195 3.774 0.000) 4.366 10.717 ( 0.633 -13.143 0.000) 13.158 11.096 ( -0.870 -7.557 0.000) 7.607 11.153 ( -5.320 0.131 0.000) 5.321 11.323 ( 6.764 -3.865 0.000) 7.791 11.404 ( 2.941 -6.199 0.000) 6.862 11.764 ( -1.821 -0.462 0.000) 1.878 11.834 ( -17.947 0.220 0.000) 17.949 11.943 ( 6.904 1.012 0.000) 6.978 12.147 ( -7.326 -4.294 0.000) 8.491 12.191 ( 2.332 15.755 0.000) 15.926 12.243 ( 0.659 11.314 0.000) 11.333 12.394 ( 2.869 2.137 0.000) 3.577 12.602 ( 7.816 4.187 0.000) 8.867 12.608 ( 3.298 -2.686 0.000) 4.253 12.746 ( -12.671 -3.564 0.000) 13.163 12.913 ( 3.801 3.186 0.000) 4.959 13.062 ( -9.481 11.934 0.000) 15.242 13.360 ( -5.206 -1.490 0.000) 5.415 13.420 ( -1.540 -11.124 0.000) 11.231 13.457 ( 3.417 2.145 0.000) 4.034 13.667 ( -11.650 -8.388 0.000) 14.355 13.687 ( 8.746 2.184 0.000) 9.014 13.855 ( 3.946 4.437 0.000) 5.938 13.947 ( 3.986 -8.436 0.000) 9.330 14.295 ( -21.740 -0.043 0.000) 21.740 14.320 ( 9.730 -9.905 0.000) 13.884 14.642 ( 19.691 -0.348 0.000) 19.694 14.942 ( -2.052 0.448 0.000) 2.101 15.110 ( 14.614 -1.065 0.000) 14.653 15.225 ( -10.185 1.634 0.000) 10.315 ======================= Grid point 21 (15/84) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.800 ( 31.268 -10.236 0.000) 32.901 4.081 ( 37.719 -21.301 0.000) 43.318 4.846 ( -4.771 29.400 0.000) 29.785 4.925 ( 1.667 37.341 0.000) 37.378 5.634 ( -18.741 -4.434 0.000) 19.258 5.910 ( -25.127 -13.475 0.000) 28.512 6.077 ( 16.728 -14.120 0.000) 21.891 6.215 ( -9.165 -6.910 0.000) 11.478 6.274 ( 2.519 -9.020 0.000) 9.365 6.344 ( -4.535 -7.733 0.000) 8.964 6.519 ( 14.960 -16.906 0.000) 22.575 6.722 ( -11.960 -16.727 0.000) 20.563 6.834 ( -14.407 12.782 0.000) 19.260 6.902 ( -16.850 15.182 0.000) 22.680 6.979 ( -3.220 1.030 0.000) 3.380 7.162 ( 4.333 -7.921 0.000) 9.029 7.635 ( -1.775 -8.918 0.000) 9.093 7.808 ( 4.581 1.038 0.000) 4.697 7.840 ( -4.151 21.695 0.000) 22.088 7.856 ( -3.919 -0.390 0.000) 3.939 7.972 ( -8.680 -3.056 0.000) 9.202 8.039 ( -7.068 -11.284 0.000) 13.315 8.180 ( -10.887 5.967 0.000) 12.415 8.342 ( -2.584 -10.202 0.000) 10.524 8.779 ( 8.782 -4.100 0.000) 9.692 8.828 ( -3.546 -7.070 0.000) 7.909 8.835 ( -1.765 -6.670 0.000) 6.899 9.144 ( -1.962 2.663 0.000) 3.307 9.163 ( -5.859 9.004 0.000) 10.743 9.319 ( 6.699 2.874 0.000) 7.289 9.427 ( 5.343 12.204 0.000) 13.322 9.436 ( -9.524 -0.584 0.000) 9.542 9.439 ( 20.866 2.994 0.000) 21.079 9.739 ( 0.821 -2.967 0.000) 3.078 9.752 ( 10.521 -0.517 0.000) 10.533 9.793 ( 7.288 9.250 0.000) 11.776 9.908 ( -0.602 8.375 0.000) 8.396 9.993 ( 2.986 8.114 0.000) 8.646 10.120 ( 8.034 0.687 0.000) 8.063 10.473 ( 9.025 -7.815 0.000) 11.938 10.589 ( 0.664 12.475 0.000) 12.492 10.713 ( 17.146 -4.740 0.000) 17.789 10.901 ( 0.253 -5.221 0.000) 5.228 11.146 ( -1.119 -3.486 0.000) 3.662 11.247 ( -1.475 -11.590 0.000) 11.684 11.444 ( 3.688 -2.992 0.000) 4.749 11.454 ( -0.045 2.494 0.000) 2.494 11.628 ( -14.936 -3.638 0.000) 15.372 11.736 ( -3.209 3.826 0.000) 4.993 11.941 ( -0.374 11.364 0.000) 11.370 12.016 ( 7.220 0.952 0.000) 7.282 12.117 ( 5.556 8.148 0.000) 9.862 12.237 ( -3.795 -8.588 0.000) 9.389 12.316 ( -2.075 7.417 0.000) 7.702 12.552 ( -11.810 2.278 0.000) 12.028 12.582 ( 4.160 6.301 0.000) 7.551 12.588 ( -7.314 1.524 0.000) 7.471 12.840 ( -5.328 2.209 0.000) 5.768 12.949 ( 3.067 1.055 0.000) 3.244 13.296 ( -10.416 -5.651 0.000) 11.850 13.453 ( -3.305 4.876 0.000) 5.891 13.562 ( -7.653 -0.594 0.000) 7.676 13.623 ( 6.944 -1.884 0.000) 7.195 13.797 ( 1.805 -11.705 0.000) 11.843 13.843 ( 6.801 7.238 0.000) 9.932 14.070 ( -12.217 -0.630 0.000) 12.233 14.098 ( 1.636 -5.495 0.000) 5.734 14.619 ( 7.623 -12.359 0.000) 14.521 14.776 ( -15.679 4.809 0.000) 16.400 14.861 ( 13.325 -0.546 0.000) 13.337 15.157 ( 0.688 0.780 0.000) 1.040 15.295 ( 10.019 -2.313 0.000) 10.283 ======================= Grid point 22 (16/84) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.829 ( -3.430 31.763 0.000) 31.948 4.194 ( -3.392 45.372 0.000) 45.498 4.759 ( 24.569 -6.208 0.000) 25.341 4.855 ( 30.457 -14.903 0.000) 33.907 5.464 ( -22.563 -8.150 0.000) 23.989 5.800 ( -25.982 -16.581 0.000) 30.822 6.199 ( -7.394 3.741 0.000) 8.286 6.375 ( 2.999 -8.918 0.000) 9.409 6.385 ( -2.432 0.466 0.000) 2.476 6.414 ( 1.195 -4.051 0.000) 4.223 6.481 ( -10.342 1.922 0.000) 10.519 6.492 ( -8.430 11.816 0.000) 14.515 6.736 ( -6.058 36.630 0.000) 37.128 6.870 ( -8.459 -12.714 0.000) 15.271 7.082 ( -2.893 11.984 0.000) 12.328 7.199 ( -1.386 -0.434 0.000) 1.453 7.217 ( 17.553 -29.007 0.000) 33.905 7.749 ( 1.322 -7.715 0.000) 7.827 7.892 ( 0.462 4.877 0.000) 4.899 8.010 ( 9.413 -10.542 0.000) 14.133 8.174 ( -6.755 -16.965 0.000) 18.261 8.197 ( -4.262 -14.670 0.000) 15.276 8.255 ( 4.535 -20.115 0.000) 20.620 8.520 ( -0.485 -13.061 0.000) 13.070 8.719 ( -6.037 13.600 0.000) 14.879 8.888 ( -0.518 4.709 0.000) 4.737 8.956 ( -6.050 0.128 0.000) 6.051 9.022 ( 7.219 -8.520 0.000) 11.167 9.058 ( 0.694 1.893 0.000) 2.017 9.177 ( 1.403 16.585 0.000) 16.644 9.225 ( -5.998 -2.801 0.000) 6.620 9.359 ( -10.187 -3.013 0.000) 10.623 9.708 ( 7.860 6.058 0.000) 9.924 9.725 ( 1.784 5.388 0.000) 5.675 9.778 ( 2.762 2.332 0.000) 3.615 9.779 ( 6.447 8.628 0.000) 10.771 9.922 ( 3.121 -2.680 0.000) 4.114 10.062 ( 24.268 -3.770 0.000) 24.559 10.110 ( -0.112 10.152 0.000) 10.152 10.456 ( 10.934 8.088 0.000) 13.600 10.705 ( -9.166 -8.106 0.000) 12.236 10.909 ( 1.455 -7.014 0.000) 7.163 11.025 ( 13.873 -5.924 0.000) 15.085 11.181 ( 2.742 2.279 0.000) 3.566 11.353 ( -0.578 8.880 0.000) 8.899 11.359 ( -3.129 -7.515 0.000) 8.140 11.524 ( -10.100 8.126 0.000) 12.963 11.534 ( 0.976 -3.450 0.000) 3.585 11.656 ( 5.247 -6.211 0.000) 8.130 11.852 ( 1.369 3.486 0.000) 3.745 12.074 ( -3.051 10.103 0.000) 10.553 12.076 ( 4.822 1.826 0.000) 5.156 12.135 ( 8.047 0.911 0.000) 8.098 12.147 ( -9.906 7.016 0.000) 12.139 12.386 ( -16.859 3.040 0.000) 17.131 12.446 ( 1.587 7.718 0.000) 7.880 12.736 ( 2.132 -17.665 0.000) 17.793 12.817 ( -2.743 -4.957 0.000) 5.665 12.921 ( -0.740 2.949 0.000) 3.040 13.195 ( -15.600 6.034 0.000) 16.726 13.310 ( -4.884 -6.537 0.000) 8.160 13.554 ( 5.790 3.315 0.000) 6.672 13.627 ( 3.609 6.525 0.000) 7.457 13.745 ( -3.827 6.735 0.000) 7.747 14.041 ( 8.336 2.507 0.000) 8.705 14.066 ( 4.994 -9.720 0.000) 10.928 14.176 ( -3.271 -7.769 0.000) 8.430 14.456 ( -18.225 6.529 0.000) 19.359 14.892 ( 5.096 -10.551 0.000) 11.717 15.001 ( 6.566 -1.342 0.000) 6.702 15.141 ( 1.421 4.123 0.000) 4.361 15.442 ( 4.938 -3.973 0.000) 6.338 ======================= Grid point 23 (17/84) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.152 ( 0.000 43.171 0.000) 43.171 3.388 ( 0.000 49.684 0.000) 49.684 5.149 ( -0.000 -10.333 0.000) 10.333 5.228 ( -0.000 -5.081 0.000) 5.081 5.262 ( 0.000 32.200 0.000) 32.200 5.711 ( 0.000 24.907 0.000) 24.907 5.915 ( -0.000 -19.311 0.000) 19.311 5.990 ( 0.000 10.224 0.000) 10.224 6.191 ( 0.000 13.320 0.000) 13.320 6.370 ( 0.000 6.674 0.000) 6.674 6.557 ( -0.000 -13.568 0.000) 13.568 6.597 ( -0.000 -1.902 0.000) 1.902 6.673 ( -0.000 -17.153 0.000) 17.153 6.959 ( -0.000 -5.638 0.000) 5.638 7.089 ( -0.000 -8.221 0.000) 8.221 7.146 ( 0.000 1.019 0.000) 1.019 7.750 ( -0.000 -12.362 0.000) 12.362 7.818 ( 0.000 5.209 0.000) 5.209 7.969 ( -0.000 -19.551 0.000) 19.551 8.360 ( -0.000 -18.883 0.000) 18.883 8.367 ( 0.000 13.332 0.000) 13.332 8.372 ( -0.000 -10.088 0.000) 10.088 8.394 ( -0.000 -15.114 0.000) 15.114 8.602 ( 0.000 21.533 0.000) 21.533 8.660 ( -0.000 -21.903 0.000) 21.903 8.727 ( -0.000 -10.970 0.000) 10.970 8.893 ( 0.000 17.906 0.000) 17.906 8.963 ( -0.000 -5.083 0.000) 5.083 9.186 ( -0.000 -2.521 0.000) 2.521 9.204 ( -0.000 -9.410 0.000) 9.410 9.278 ( 0.000 4.714 0.000) 4.714 9.299 ( -0.000 -12.735 0.000) 12.735 9.655 ( 0.000 2.962 0.000) 2.962 9.670 ( 0.000 9.146 0.000) 9.146 9.719 ( -0.000 -2.382 0.000) 2.382 9.731 ( 0.000 5.628 0.000) 5.628 9.896 ( 0.000 7.879 0.000) 7.879 9.980 ( -0.000 -2.700 0.000) 2.700 10.488 ( -0.000 -8.823 0.000) 8.823 10.499 ( 0.000 2.055 0.000) 2.055 10.539 ( -0.000 -3.572 0.000) 3.572 11.082 ( -0.000 -5.483 0.000) 5.483 11.096 ( 0.000 10.772 0.000) 10.772 11.172 ( 0.000 10.441 0.000) 10.441 11.258 ( -0.000 -7.704 0.000) 7.704 11.320 ( 0.000 6.605 0.000) 6.605 11.486 ( -0.000 -9.604 0.000) 9.604 11.581 ( -0.000 -2.147 0.000) 2.147 11.800 ( -0.000 -0.335 0.000) 0.335 11.800 ( 0.000 1.885 0.000) 1.885 11.938 ( 0.000 6.592 0.000) 6.592 11.983 ( 0.000 1.624 0.000) 1.624 12.083 ( 0.000 2.797 0.000) 2.797 12.160 ( 0.000 1.608 0.000) 1.608 12.253 ( -0.000 -5.752 0.000) 5.752 12.333 ( 0.000 7.049 0.000) 7.049 12.849 ( -0.000 -3.656 0.000) 3.656 12.864 ( 0.000 4.025 0.000) 4.025 12.957 ( 0.000 6.958 0.000) 6.958 13.072 ( -0.000 -15.572 0.000) 15.572 13.358 ( -0.000 -2.672 0.000) 2.672 13.554 ( 0.000 9.896 0.000) 9.896 13.558 ( 0.000 2.665 0.000) 2.665 13.586 ( 0.000 1.178 0.000) 1.178 14.094 ( 0.000 4.646 0.000) 4.646 14.131 ( 0.000 6.883 0.000) 6.883 14.151 ( 0.000 2.227 0.000) 2.227 14.370 ( -0.000 -13.193 0.000) 13.193 15.040 ( -0.000 -2.449 0.000) 2.449 15.041 ( 0.000 9.602 0.000) 9.602 15.108 ( -0.000 -7.147 0.000) 7.147 15.549 ( -0.000 -5.326 0.000) 5.326 ======================= Grid point 28 (18/84) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.585 ( 41.271 -0.000 0.000) 41.271 3.657 ( 42.743 -0.000 0.000) 42.743 5.399 ( -16.905 0.000 0.000) 16.905 5.480 ( 37.681 -0.000 0.000) 37.681 5.602 ( -31.338 0.000 0.000) 31.338 5.877 ( -2.762 0.000 0.000) 2.762 5.989 ( -16.264 0.000 0.000) 16.264 6.043 ( 4.121 -0.000 0.000) 4.121 6.150 ( -16.181 0.000 0.000) 16.181 6.201 ( -1.100 0.000 0.000) 1.100 6.218 ( 8.182 -0.000 0.000) 8.182 6.381 ( -2.855 0.000 0.000) 2.855 6.572 ( 3.898 -0.000 0.000) 3.898 6.973 ( 5.403 -0.000 0.000) 5.403 7.289 ( -24.610 0.000 0.000) 24.610 7.417 ( -29.872 0.000 0.000) 29.872 7.438 ( -0.453 0.000 0.000) 0.453 7.442 ( -2.657 0.000 0.000) 2.657 7.524 ( 0.069 -0.000 0.000) 0.069 7.829 ( -0.959 0.000 0.000) 0.959 7.933 ( 0.444 -0.000 0.000) 0.444 8.169 ( -8.340 0.000 0.000) 8.340 8.283 ( -7.769 0.000 0.000) 7.769 8.590 ( -3.360 0.000 0.000) 3.360 8.614 ( -7.139 0.000 0.000) 7.139 8.736 ( 13.889 -0.000 0.000) 13.889 8.992 ( -4.049 0.000 0.000) 4.049 9.169 ( -5.561 0.000 0.000) 5.561 9.284 ( -5.111 0.000 0.000) 5.111 9.333 ( 39.359 -0.000 0.000) 39.359 9.365 ( -5.489 0.000 0.000) 5.489 9.599 ( 6.747 -0.000 0.000) 6.747 9.649 ( 4.243 -0.000 0.000) 4.243 9.715 ( -0.503 0.000 0.000) 0.503 9.790 ( 1.640 -0.000 0.000) 1.640 10.014 ( 13.448 -0.000 0.000) 13.448 10.014 ( -7.251 0.000 0.000) 7.251 10.046 ( -4.014 0.000 0.000) 4.014 10.135 ( 7.411 -0.000 0.000) 7.411 10.409 ( 2.482 -0.000 0.000) 2.482 10.565 ( -0.508 0.000 0.000) 0.508 10.778 ( 3.634 -0.000 0.000) 3.634 10.843 ( 30.077 -0.000 0.000) 30.077 10.938 ( -8.489 0.000 0.000) 8.489 11.075 ( -6.774 0.000 0.000) 6.774 11.399 ( 5.580 -0.000 0.000) 5.580 11.420 ( 9.406 -0.000 0.000) 9.406 11.565 ( -21.566 0.000 0.000) 21.566 11.731 ( -1.230 0.000 0.000) 1.230 11.997 ( -9.092 0.000 0.000) 9.092 12.037 ( 6.645 -0.000 0.000) 6.645 12.340 ( -0.228 0.000 0.000) 0.228 12.370 ( -1.409 0.000 0.000) 1.409 12.515 ( 9.105 -0.000 0.000) 9.105 12.518 ( -14.001 0.000 0.000) 14.001 12.568 ( -5.585 0.000 0.000) 5.585 12.750 ( 8.290 -0.000 0.000) 8.290 12.957 ( 0.471 -0.000 0.000) 0.471 13.085 ( -9.014 0.000 0.000) 9.014 13.168 ( -8.185 0.000 0.000) 8.185 13.234 ( -12.536 0.000 0.000) 12.536 13.498 ( -1.240 0.000 0.000) 1.240 13.558 ( 2.223 -0.000 0.000) 2.223 13.860 ( 7.504 -0.000 0.000) 7.504 13.890 ( 3.702 -0.000 0.000) 3.702 13.988 ( 10.939 -0.000 0.000) 10.939 14.034 ( -17.582 0.000 0.000) 17.582 14.356 ( 8.020 -0.000 0.000) 8.020 14.854 ( 13.683 -0.000 0.000) 13.683 14.856 ( -12.462 0.000 0.000) 12.462 15.154 ( -2.102 0.000 0.000) 2.102 15.265 ( 10.495 -0.000 0.000) 10.495 ======================= Grid point 29 (19/84) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.116 ( 33.150 -3.309 0.000) 33.315 4.295 ( 39.107 -12.320 0.000) 41.002 5.097 ( -18.660 5.392 0.000) 19.424 5.228 ( -30.929 -4.013 0.000) 31.189 5.441 ( -11.319 19.543 0.000) 22.584 5.648 ( 4.387 22.618 0.000) 23.040 5.997 ( -6.295 -5.864 0.000) 8.603 6.062 ( 2.399 -1.555 0.000) 2.859 6.161 ( -1.728 -2.723 0.000) 3.225 6.216 ( -0.762 -5.800 0.000) 5.850 6.271 ( -6.463 -20.408 0.000) 21.407 6.524 ( 20.042 -10.199 0.000) 22.488 6.910 ( -13.076 17.601 0.000) 21.927 6.935 ( -4.761 -1.639 0.000) 5.035 6.964 ( -5.369 -11.611 0.000) 12.792 7.018 ( 2.505 1.730 0.000) 3.044 7.485 ( -0.445 -6.077 0.000) 6.093 7.585 ( -2.594 -13.923 0.000) 14.163 7.649 ( -1.735 -14.706 0.000) 14.808 7.847 ( -3.635 -3.140 0.000) 4.804 7.881 ( 0.067 4.657 0.000) 4.658 8.130 ( -5.205 -8.218 0.000) 9.728 8.172 ( -1.835 5.329 0.000) 5.636 8.448 ( -5.347 25.423 0.000) 25.979 8.632 ( -2.127 -9.258 0.000) 9.499 8.726 ( -3.557 8.158 0.000) 8.899 8.926 ( 13.447 -0.126 0.000) 13.447 9.095 ( -0.890 -3.999 0.000) 4.097 9.226 ( -8.188 3.629 0.000) 8.957 9.331 ( -4.609 -2.950 0.000) 5.472 9.429 ( -5.476 18.426 0.000) 19.223 9.659 ( 4.403 3.502 0.000) 5.626 9.699 ( 1.675 -1.466 0.000) 2.225 9.827 ( 3.179 -1.563 0.000) 3.543 9.879 ( 33.322 -2.453 0.000) 33.412 9.949 ( -1.812 6.134 0.000) 6.396 10.030 ( 1.255 8.207 0.000) 8.302 10.085 ( 1.335 -2.588 0.000) 2.912 10.285 ( 12.694 0.705 0.000) 12.713 10.379 ( 0.606 -0.709 0.000) 0.933 10.656 ( -0.684 -9.938 0.000) 9.961 10.766 ( 1.541 7.001 0.000) 7.169 10.827 ( -16.549 -5.332 0.000) 17.387 11.034 ( -2.639 -4.675 0.000) 5.368 11.218 ( 18.471 -1.067 0.000) 18.502 11.376 ( -10.398 -5.150 0.000) 11.603 11.487 ( 2.822 -1.105 0.000) 3.031 11.545 ( 12.163 0.002 0.000) 12.163 11.734 ( -1.590 -0.006 0.000) 1.590 11.983 ( -3.228 -10.946 0.000) 11.412 12.120 ( 7.157 0.485 0.000) 7.174 12.191 ( -0.956 16.272 0.000) 16.300 12.270 ( 0.817 6.225 0.000) 6.278 12.319 ( -11.450 3.661 0.000) 12.021 12.473 ( -13.370 -0.265 0.000) 13.373 12.564 ( 4.167 5.463 0.000) 6.870 12.764 ( 3.335 5.849 0.000) 6.733 12.861 ( -5.462 9.560 0.000) 11.010 12.912 ( -8.462 -2.698 0.000) 8.882 13.136 ( -2.642 -1.870 0.000) 3.236 13.368 ( -1.647 -23.791 0.000) 23.848 13.407 ( -5.726 6.494 0.000) 8.657 13.629 ( 7.006 -0.668 0.000) 7.037 13.832 ( 2.701 5.318 0.000) 5.965 13.851 ( -10.994 0.271 0.000) 10.997 14.041 ( 2.465 -6.183 0.000) 6.657 14.125 ( 13.130 2.619 0.000) 13.388 14.514 ( 4.260 -9.113 0.000) 10.059 14.640 ( -15.536 3.591 0.000) 15.946 14.987 ( 6.906 -0.065 0.000) 6.906 15.161 ( 0.721 -1.132 0.000) 1.342 15.372 ( 5.368 -0.686 0.000) 5.412 ======================= Grid point 30 (20/84) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.260 ( 0.000 17.716 0.000) 17.716 4.837 ( 0.000 27.044 0.000) 27.044 4.932 ( -0.000 -12.906 0.000) 12.906 5.037 ( 0.000 11.419 0.000) 11.419 5.042 ( -0.000 -10.163 0.000) 10.163 5.290 ( -0.000 -3.235 0.000) 3.235 6.080 ( -0.000 -8.270 0.000) 8.270 6.245 ( -0.000 -8.156 0.000) 8.156 6.254 ( -0.000 -13.527 0.000) 13.527 6.312 ( -0.000 -7.337 0.000) 7.337 6.536 ( 0.000 3.874 0.000) 3.874 6.563 ( -0.000 -6.449 0.000) 6.449 6.650 ( 0.000 12.681 0.000) 12.681 6.942 ( -0.000 -19.219 0.000) 19.219 6.981 ( 0.000 4.492 0.000) 4.492 7.211 ( -0.000 -4.056 0.000) 4.056 7.607 ( -0.000 -9.023 0.000) 9.023 7.704 ( 0.000 51.385 0.000) 51.385 7.827 ( -0.000 -14.771 0.000) 14.771 7.887 ( -0.000 -9.255 0.000) 9.255 7.897 ( -0.000 -7.406 0.000) 7.406 7.900 ( -0.000 -17.199 0.000) 17.199 8.100 ( 0.000 0.929 0.000) 0.929 8.289 ( -0.000 -13.526 0.000) 13.526 8.775 ( -0.000 -9.355 0.000) 9.355 8.798 ( -0.000 -11.413 0.000) 11.413 9.026 ( 0.000 22.203 0.000) 22.203 9.027 ( 0.000 2.340 0.000) 2.340 9.135 ( -0.000 -1.978 0.000) 1.978 9.187 ( -0.000 -6.289 0.000) 6.289 9.231 ( 0.000 9.512 0.000) 9.512 9.505 ( 0.000 17.798 0.000) 17.798 9.751 ( -0.000 -3.396 0.000) 3.396 9.840 ( 0.000 6.613 0.000) 6.613 9.894 ( -0.000 -2.441 0.000) 2.441 9.919 ( 0.000 4.739 0.000) 4.739 9.940 ( 0.000 13.389 0.000) 13.389 10.302 ( 0.000 8.497 0.000) 8.497 10.333 ( -0.000 -11.537 0.000) 11.537 10.389 ( 0.000 1.047 0.000) 1.047 10.642 ( 0.000 7.791 0.000) 7.791 10.735 ( -0.000 -10.939 0.000) 10.939 10.902 ( -0.000 -13.820 0.000) 13.820 11.133 ( -0.000 -7.108 0.000) 7.108 11.311 ( 0.000 0.174 0.000) 0.174 11.441 ( -0.000 -7.492 0.000) 7.492 11.487 ( 0.000 2.995 0.000) 2.995 11.622 ( 0.000 12.096 0.000) 12.096 11.691 ( -0.000 -2.368 0.000) 2.368 11.941 ( 0.000 9.139 0.000) 9.139 12.163 ( 0.000 5.802 0.000) 5.802 12.190 ( -0.000 -6.077 0.000) 6.077 12.193 ( 0.000 0.639 0.000) 0.639 12.227 ( 0.000 4.716 0.000) 4.716 12.244 ( 0.000 3.462 0.000) 3.462 12.476 ( 0.000 1.067 0.000) 1.067 12.648 ( 0.000 9.035 0.000) 9.035 12.763 ( -0.000 -1.019 0.000) 1.019 12.915 ( -0.000 -2.627 0.000) 2.627 13.179 ( -0.000 -5.034 0.000) 5.034 13.222 ( 0.000 9.089 0.000) 9.089 13.675 ( 0.000 4.453 0.000) 4.453 13.751 ( 0.000 0.420 0.000) 0.420 13.756 ( 0.000 6.062 0.000) 6.062 13.761 ( -0.000 -23.617 0.000) 23.617 14.129 ( -0.000 -2.787 0.000) 2.787 14.207 ( 0.000 2.157 0.000) 2.157 14.403 ( 0.000 7.803 0.000) 7.803 14.728 ( -0.000 -12.696 0.000) 12.696 15.033 ( -0.000 -0.278 0.000) 0.278 15.181 ( 0.000 0.032 0.000) 0.032 15.427 ( -0.000 -1.962 0.000) 1.962 ======================= Grid point 38 (21/84) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.395 ( 0.000 -0.000 0.000) 0.000 4.646 ( -0.000 0.000 0.000) 0.000 4.747 ( 0.000 -0.000 0.000) 0.000 4.865 ( 0.000 -0.000 0.000) 0.000 5.742 ( 0.000 -0.000 0.000) 0.000 5.829 ( 0.000 -0.000 0.000) 0.000 5.849 ( 0.000 -0.000 0.000) 0.000 5.974 ( 0.000 -0.000 0.000) 0.000 6.118 ( 0.000 -0.000 0.000) 0.000 6.179 ( 0.000 -0.000 0.000) 0.000 6.328 ( 0.000 -0.000 0.000) 0.000 6.527 ( -0.000 0.000 0.000) 0.000 6.611 ( 0.000 -0.000 0.000) 0.000 6.958 ( 0.000 -0.000 0.000) 0.000 7.009 ( 0.000 -0.000 0.000) 0.000 7.055 ( 0.000 -0.000 0.000) 0.000 7.396 ( 0.000 -0.000 0.000) 0.000 7.434 ( 0.000 -0.000 0.000) 0.000 7.529 ( 0.000 -0.000 0.000) 0.000 7.806 ( 0.000 -0.000 0.000) 0.000 7.940 ( 0.000 -0.000 0.000) 0.000 8.010 ( 0.000 -0.000 0.000) 0.000 8.200 ( 0.000 -0.000 0.000) 0.000 8.521 ( 0.000 -0.000 0.000) 0.000 8.531 ( 0.000 -0.000 0.000) 0.000 9.052 ( 0.000 -0.000 0.000) 0.000 9.080 ( 0.000 -0.000 0.000) 0.000 9.088 ( -0.000 0.000 0.000) 0.000 9.092 ( -0.000 0.000 0.000) 0.000 9.105 ( 0.000 -0.000 0.000) 0.000 9.693 ( 0.000 -0.000 0.000) 0.000 9.711 ( -0.000 0.000 0.000) 0.000 9.713 ( 0.000 -0.000 0.000) 0.000 9.778 ( 0.000 -0.000 0.000) 0.000 9.836 ( 0.000 -0.000 0.000) 0.000 9.975 ( 0.000 -0.000 0.000) 0.000 10.135 ( 0.000 -0.000 0.000) 0.000 10.382 ( 0.000 -0.000 0.000) 0.000 10.398 ( 0.000 -0.000 0.000) 0.000 10.416 ( -0.000 0.000 0.000) 0.000 10.426 ( 0.000 -0.000 0.000) 0.000 10.581 ( 0.000 -0.000 0.000) 0.000 10.841 ( 0.000 -0.000 0.000) 0.000 10.970 ( 0.000 -0.000 0.000) 0.000 11.251 ( -0.000 0.000 0.000) 0.000 11.353 ( 0.000 -0.000 0.000) 0.000 11.493 ( 0.000 -0.000 0.000) 0.000 11.659 ( 0.000 -0.000 0.000) 0.000 11.723 ( 0.000 -0.000 0.000) 0.000 11.854 ( 0.000 -0.000 0.000) 0.000 12.211 ( 0.000 -0.000 0.000) 0.000 12.263 ( -0.000 0.000 0.000) 0.000 12.312 ( -0.000 0.000 0.000) 0.000 12.342 ( 0.000 -0.000 0.000) 0.000 12.348 ( 0.000 -0.000 0.000) 0.000 12.659 ( 0.000 -0.000 0.000) 0.000 12.790 ( 0.000 -0.000 0.000) 0.000 12.923 ( -0.000 0.000 0.000) 0.000 12.974 ( 0.000 -0.000 0.000) 0.000 12.975 ( 0.000 -0.000 0.000) 0.000 13.117 ( 0.000 -0.000 0.000) 0.000 13.468 ( 0.000 -0.000 0.000) 0.000 13.643 ( 0.000 -0.000 0.000) 0.000 13.778 ( -0.000 0.000 0.000) 0.000 13.941 ( 0.000 -0.000 0.000) 0.000 13.958 ( 0.000 -0.000 0.000) 0.000 14.264 ( 0.000 -0.000 0.000) 0.000 14.462 ( 0.000 -0.000 0.000) 0.000 14.543 ( 0.000 -0.000 0.000) 0.000 15.031 ( 0.000 -0.000 0.000) 0.000 15.154 ( 0.000 -0.000 0.000) 0.000 15.402 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 67 (22/84) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 0.000 0.000 49.659) 49.659 1.159 ( 0.000 0.000 53.483) 53.483 1.914 ( 0.000 0.000 87.667) 87.667 4.882 ( 0.000 0.000 -34.607) 34.607 5.346 ( 0.000 0.000 -40.535) 40.535 5.526 ( 0.000 0.000 9.750) 9.750 5.953 ( 0.000 0.000 12.010) 12.010 6.245 ( 0.000 0.000 19.112) 19.112 6.320 ( 0.000 0.000 9.131) 9.131 6.502 ( 0.000 0.000 5.258) 5.258 6.908 ( 0.000 0.000 -0.099) 0.099 6.924 ( 0.000 0.000 26.605) 26.605 7.047 ( 0.000 0.000 -2.300) 2.300 7.202 ( 0.000 0.000 -2.286) 2.286 7.343 ( 0.000 0.000 -9.620) 9.620 7.511 ( 0.000 0.000 -9.539) 9.539 7.722 ( 0.000 0.000 -9.467) 9.467 7.731 ( 0.000 0.000 -6.660) 6.660 7.785 ( 0.000 0.000 12.989) 12.989 7.934 ( 0.000 0.000 -15.242) 15.242 7.989 ( 0.000 0.000 8.958) 8.958 8.281 ( 0.000 0.000 9.175) 9.175 8.351 ( 0.000 0.000 -31.689) 31.689 8.600 ( 0.000 0.000 0.695) 0.695 8.888 ( 0.000 0.000 6.188) 6.188 8.893 ( 0.000 0.000 7.148) 7.148 9.138 ( 0.000 0.000 4.955) 4.955 9.143 ( 0.000 0.000 -4.213) 4.213 9.145 ( 0.000 0.000 1.433) 1.433 9.404 ( 0.000 0.000 4.156) 4.156 9.657 ( 0.000 0.000 -4.320) 4.320 9.668 ( 0.000 0.000 5.087) 5.087 9.697 ( 0.000 0.000 -4.639) 4.639 9.888 ( 0.000 0.000 -15.093) 15.093 9.920 ( 0.000 0.000 -1.910) 1.910 10.024 ( 0.000 0.000 -4.983) 4.983 10.108 ( 0.000 0.000 -2.734) 2.734 10.193 ( 0.000 0.000 -17.709) 17.709 10.720 ( 0.000 0.000 -1.222) 1.222 10.777 ( 0.000 0.000 -0.031) 0.031 10.786 ( 0.000 0.000 8.623) 8.623 10.793 ( 0.000 0.000 -1.858) 1.858 10.940 ( 0.000 0.000 -14.398) 14.398 10.960 ( 0.000 0.000 14.836) 14.836 11.025 ( 0.000 0.000 2.602) 2.602 11.310 ( 0.000 0.000 12.008) 12.008 11.608 ( 0.000 0.000 -0.198) 0.198 11.654 ( 0.000 0.000 1.839) 1.839 11.733 ( 0.000 0.000 -1.168) 1.168 11.844 ( 0.000 0.000 2.229) 2.229 11.850 ( 0.000 0.000 3.066) 3.066 11.889 ( 0.000 0.000 -7.787) 7.787 12.227 ( 0.000 0.000 2.908) 2.908 12.229 ( 0.000 0.000 9.831) 9.831 12.267 ( 0.000 0.000 6.396) 6.396 12.669 ( 0.000 0.000 1.807) 1.807 12.785 ( 0.000 0.000 -8.117) 8.117 12.851 ( 0.000 0.000 4.213) 4.213 12.859 ( 0.000 0.000 3.605) 3.605 13.049 ( 0.000 0.000 -12.062) 12.062 13.207 ( 0.000 0.000 7.379) 7.379 13.339 ( 0.000 0.000 -6.217) 6.217 13.459 ( 0.000 0.000 0.724) 0.724 13.683 ( 0.000 0.000 -7.213) 7.213 13.950 ( 0.000 0.000 -1.056) 1.056 14.011 ( 0.000 0.000 2.338) 2.338 14.113 ( 0.000 0.000 -7.871) 7.871 14.291 ( 0.000 0.000 12.395) 12.395 14.620 ( 0.000 0.000 -3.067) 3.067 15.000 ( 0.000 0.000 -1.509) 1.509 15.269 ( 0.000 0.000 5.822) 5.822 15.778 ( 0.000 0.000 -2.034) 2.034 ======================= Grid point 68 (23/84) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 21.474 -25.250 38.700) 50.955 1.582 ( 28.756 -26.904 34.922) 52.633 2.581 ( 26.857 -49.236 63.233) 84.521 4.977 ( 9.017 -3.884 -32.831) 34.267 5.371 ( -1.651 -4.042 -32.956) 33.244 5.544 ( 3.303 1.240 3.627) 5.060 5.931 ( 0.363 6.388 11.742) 13.372 6.237 ( 2.632 4.305 14.145) 15.018 6.329 ( 7.962 0.399 13.898) 16.023 6.502 ( 2.324 1.141 5.620) 6.188 6.858 ( -4.257 3.631 15.799) 16.760 6.989 ( 10.743 -0.813 -0.445) 10.783 7.050 ( -5.503 -2.137 2.059) 6.252 7.134 ( -3.946 1.772 -0.225) 4.331 7.322 ( -0.371 2.356 -11.092) 11.346 7.482 ( 0.508 5.967 -7.196) 9.362 7.622 ( -3.947 3.390 -2.169) 5.637 7.708 ( -0.109 4.158 -9.793) 10.640 7.874 ( -3.496 -5.696 6.335) 9.208 7.925 ( 0.779 -1.855 5.630) 5.978 8.056 ( 0.294 -8.812 -3.933) 9.654 8.290 ( -1.503 -3.058 -3.976) 5.236 8.411 ( 0.271 -7.005 -23.138) 24.177 8.674 ( 4.862 -3.994 -2.348) 6.716 8.844 ( -2.280 2.704 6.630) 7.514 8.891 ( 5.727 3.176 8.717) 10.903 9.083 ( -2.411 3.979 1.961) 5.049 9.156 ( 2.912 -1.557 1.441) 3.602 9.220 ( -0.788 -6.436 -0.839) 6.538 9.431 ( -1.154 0.446 3.321) 3.544 9.512 ( -7.740 3.248 4.634) 9.588 9.577 ( -7.074 9.468 1.076) 11.868 9.622 ( -2.545 3.693 2.010) 4.915 9.798 ( 4.129 7.264 0.543) 8.373 9.831 ( -5.027 6.805 -13.463) 15.900 9.912 ( 0.904 4.462 -5.265) 6.961 10.098 ( -6.621 5.933 -13.155) 15.878 10.281 ( 2.328 2.283 -12.311) 12.735 10.473 ( -15.653 8.324 -2.489) 17.903 10.715 ( -7.869 -4.112 -5.864) 10.641 10.756 ( 0.085 2.516 1.651) 3.011 10.837 ( -16.715 -2.375 0.386) 16.887 10.966 ( 5.797 1.007 5.838) 8.289 11.074 ( 11.804 -3.278 0.519) 12.262 11.155 ( -17.704 -1.623 -1.528) 17.844 11.216 ( 2.653 -0.966 -0.508) 2.869 11.373 ( -5.751 0.462 7.843) 9.737 11.560 ( -6.355 -0.417 4.311) 7.690 11.727 ( -0.869 5.154 -2.454) 5.774 11.814 ( 8.376 7.267 2.538) 11.376 11.868 ( 6.903 3.857 -1.206) 7.999 12.002 ( 5.871 -1.517 -0.699) 6.104 12.150 ( -0.632 4.226 2.029) 4.731 12.314 ( 10.424 -4.606 2.889) 11.756 12.430 ( 10.960 0.721 3.511) 11.531 12.651 ( -0.167 2.515 9.084) 9.427 12.803 ( 4.007 -0.788 -7.104) 8.194 12.913 ( -1.025 -7.243 5.024) 8.874 12.945 ( 8.104 -3.140 4.164) 9.637 13.030 ( 3.466 9.334 -12.196) 15.744 13.232 ( 0.034 -3.893 7.283) 8.259 13.310 ( 2.672 4.120 -3.180) 5.850 13.533 ( 6.942 -4.980 1.141) 8.619 13.736 ( -2.291 -6.018 -4.157) 7.665 13.916 ( -3.353 2.325 -0.335) 4.094 14.016 ( -4.447 4.311 -4.281) 7.529 14.133 ( 8.542 -6.859 -3.147) 11.398 14.336 ( 0.155 -6.987 9.908) 12.125 14.643 ( 3.016 1.029 -3.512) 4.742 14.895 ( -23.199 -11.995 5.139) 26.618 15.224 ( -6.553 0.673 5.235) 8.414 15.727 ( -4.494 2.473 -2.182) 5.574 ======================= Grid point 69 (24/84) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 26.077 -34.115 23.412) 48.908 2.473 ( 30.399 -33.254 24.393) 51.234 3.876 ( 33.025 -56.470 37.103) 75.207 5.166 ( 4.002 -0.928 -17.192) 17.676 5.379 ( 1.245 1.272 -8.522) 8.706 5.598 ( 1.877 -5.467 -24.494) 25.167 5.688 ( -3.327 16.073 9.889) 19.163 6.267 ( 8.958 3.078 9.724) 13.574 6.475 ( 9.556 -3.097 11.333) 15.144 6.557 ( 7.705 0.700 10.230) 12.827 6.753 ( 1.160 3.674 3.105) 4.948 6.917 ( -8.004 6.098 -3.359) 10.608 7.065 ( -5.801 4.848 4.255) 8.675 7.161 ( 8.218 -1.235 -4.964) 9.680 7.256 ( -1.688 -0.892 -7.891) 8.118 7.429 ( 9.965 3.220 -5.723) 11.934 7.504 ( -2.909 8.796 -1.197) 9.342 7.649 ( -1.425 -3.219 0.356) 3.538 7.884 ( -6.246 -3.155 5.545) 8.928 8.033 ( -1.224 -11.010 5.050) 12.175 8.226 ( 0.278 -10.082 -2.000) 10.282 8.357 ( -0.350 -4.153 -11.474) 12.207 8.530 ( 1.224 -3.897 -14.498) 15.062 8.697 ( -9.388 7.920 1.013) 12.324 8.786 ( 3.033 -0.685 -5.428) 6.256 8.969 ( 4.814 6.146 5.875) 9.771 8.975 ( 1.195 -1.713 2.345) 3.141 9.159 ( -16.305 11.761 2.210) 20.226 9.204 ( -2.977 -0.656 4.290) 5.263 9.294 ( 1.044 0.634 4.193) 4.368 9.352 ( -3.753 5.907 0.886) 7.054 9.426 ( -7.585 -1.816 4.074) 8.799 9.542 ( -2.317 3.992 -1.826) 4.964 9.644 ( 0.515 4.705 -2.640) 5.419 9.666 ( -9.725 7.182 -9.404) 15.316 9.875 ( -0.401 1.360 -0.543) 1.518 9.929 ( -2.376 4.923 0.083) 5.467 10.126 ( -14.987 5.686 -3.574) 16.423 10.216 ( 4.565 10.833 -3.717) 12.330 10.514 ( -25.586 2.242 3.401) 25.909 10.659 ( -4.105 5.236 -0.858) 6.708 10.751 ( -10.028 -8.445 -1.900) 13.247 10.950 ( -13.279 -0.618 5.484) 14.380 11.005 ( -0.461 2.375 -8.540) 8.876 11.079 ( 5.141 0.542 -2.521) 5.752 11.281 ( 7.900 -0.897 -2.928) 8.473 11.479 ( -0.400 2.471 2.475) 3.520 11.567 ( 1.553 -1.388 -7.666) 7.944 11.648 ( 7.550 -0.978 2.998) 8.182 11.785 ( 4.621 7.129 -2.680) 8.909 11.945 ( 4.565 1.823 1.511) 5.143 12.070 ( 2.105 1.325 0.295) 2.504 12.152 ( 12.151 -1.303 0.476) 12.230 12.433 ( 0.096 4.237 0.250) 4.245 12.498 ( 3.193 -0.938 2.271) 4.029 12.573 ( -4.530 0.987 13.812) 14.570 12.816 ( 4.077 6.757 -9.187) 12.111 12.894 ( 2.354 3.825 -2.821) 5.303 13.007 ( -2.835 -7.920 4.238) 9.419 13.178 ( 11.683 -4.209 2.807) 12.732 13.303 ( -3.752 -4.525 3.320) 6.751 13.401 ( 11.074 -0.038 -5.639) 12.427 13.685 ( 2.419 -2.436 1.094) 3.603 13.774 ( 9.226 4.711 2.283) 10.608 13.855 ( -3.542 -2.992 -0.617) 4.678 13.950 ( 2.225 -2.319 2.873) 4.311 14.373 ( 10.608 -4.588 -5.439) 12.774 14.512 ( -4.178 -14.928 3.233) 15.835 14.618 ( -2.161 0.231 -1.268) 2.516 14.861 ( -7.574 -6.909 2.693) 10.599 15.084 ( -11.946 1.682 5.108) 13.100 15.586 ( -8.503 4.516 -2.464) 9.938 ======================= Grid point 70 (25/84) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.235 ( 25.568 -33.829 16.088) 45.354 3.387 ( 27.128 -32.920 19.538) 46.919 4.744 ( -7.336 7.511 15.247) 18.513 4.887 ( -14.053 14.994 10.051) 22.877 5.583 ( 22.972 -30.697 17.525) 42.156 5.665 ( 10.285 -12.496 -24.007) 28.953 5.837 ( 8.985 -10.232 -21.947) 25.828 6.262 ( 0.922 7.112 -1.271) 7.284 6.562 ( -7.332 8.560 1.354) 11.351 6.647 ( 8.254 -1.701 -0.670) 8.454 6.671 ( 5.727 5.177 1.004) 7.785 6.825 ( 2.857 2.507 2.122) 4.354 6.959 ( 7.505 -0.656 5.422) 9.282 7.130 ( -15.809 -1.783 -5.920) 16.975 7.295 ( 5.416 6.143 -2.577) 8.586 7.393 ( 2.391 -0.769 -1.844) 3.116 7.660 ( -1.717 -9.210 6.192) 11.230 7.674 ( 15.827 3.574 4.426) 16.819 7.890 ( -2.371 9.955 1.441) 10.334 7.976 ( -12.387 18.177 4.263) 22.406 8.211 ( -1.782 -9.823 2.288) 10.243 8.426 ( -0.645 -8.480 -6.201) 10.525 8.480 ( -0.175 0.689 -4.997) 5.048 8.573 ( -6.630 5.059 -8.805) 12.128 8.685 ( -21.841 1.250 0.119) 21.877 8.834 ( 0.423 0.997 -9.211) 9.275 8.888 ( -3.767 3.000 0.001) 4.815 9.032 ( 5.108 3.177 5.422) 8.098 9.203 ( -10.057 0.718 -1.312) 10.168 9.264 ( 0.053 2.550 4.178) 4.895 9.291 ( 3.264 -4.793 2.512) 6.320 9.357 ( -3.455 3.780 -2.514) 5.705 9.435 ( -4.920 6.199 -1.818) 8.120 9.473 ( 1.512 -2.488 2.337) 3.734 9.665 ( 1.890 1.752 -1.610) 3.039 9.779 ( -8.603 0.914 5.906) 10.475 9.842 ( -1.045 4.217 5.642) 7.121 9.963 ( -10.464 0.933 4.879) 11.583 10.107 ( 3.958 3.940 2.905) 6.295 10.255 ( -8.022 0.484 -3.742) 8.865 10.529 ( -0.067 5.369 0.881) 5.441 10.670 ( -13.328 -0.371 0.854) 13.361 10.861 ( -0.785 -1.247 4.514) 4.749 10.988 ( -0.718 1.520 -11.238) 11.363 11.184 ( 6.468 -1.280 -8.878) 11.059 11.327 ( -0.321 2.419 -7.327) 7.723 11.463 ( 2.156 -4.443 -4.896) 6.954 11.599 ( -0.830 -1.626 -10.199) 10.361 11.664 ( 2.036 4.357 -5.669) 7.434 11.814 ( 1.863 3.422 -0.423) 3.919 11.953 ( 3.284 -1.312 2.263) 4.198 12.076 ( 4.997 0.628 6.748) 8.421 12.266 ( 0.308 11.876 -2.616) 12.165 12.312 ( 0.459 1.557 7.000) 7.186 12.526 ( 7.287 -2.523 5.973) 9.754 12.639 ( 0.918 -10.470 4.169) 11.307 12.796 ( 2.201 2.252 -2.493) 4.017 12.890 ( 1.231 1.564 -0.754) 2.128 13.063 ( -3.707 -2.233 -3.238) 5.404 13.239 ( -7.228 0.665 1.790) 7.476 13.336 ( 3.474 -0.685 0.846) 3.641 13.405 ( -0.367 4.663 -5.045) 6.879 13.751 ( 8.035 -0.597 5.622) 9.825 13.867 ( -4.368 -4.832 0.537) 6.536 13.914 ( 13.537 -0.842 3.770) 14.078 14.175 ( 17.050 -5.294 3.154) 18.129 14.377 ( -12.770 -0.176 -0.367) 12.776 14.657 ( 3.908 -7.190 0.157) 8.184 14.743 ( 0.694 -2.682 -2.008) 3.422 14.880 ( 0.192 -3.983 1.878) 4.408 14.904 ( -8.231 0.467 2.284) 8.555 15.369 ( -11.802 6.038 -2.682) 13.525 ======================= Grid point 71 (26/84) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.000 ( 2.437 -14.019 15.535) 21.067 4.000 ( -2.437 14.019 15.535) 21.067 4.340 ( 8.406 -13.562 12.774) 20.440 4.340 ( -8.406 13.562 12.774) 20.440 6.000 ( 0.850 -13.170 -14.213) 19.395 6.000 ( -0.850 13.170 -14.213) 19.395 6.158 ( 5.573 -8.860 -14.653) 18.007 6.158 ( -5.573 8.860 -14.653) 18.007 6.624 ( 9.442 -20.163 4.413) 22.697 6.624 ( -9.442 20.163 4.413) 22.697 6.803 ( -2.096 -3.070 2.915) 4.723 6.803 ( 2.096 3.070 2.915) 4.723 7.015 ( 7.072 -15.929 2.614) 17.624 7.015 ( -7.072 15.929 2.614) 17.624 7.184 ( 2.873 -8.313 8.074) 11.939 7.184 ( -2.873 8.313 8.074) 11.939 7.561 ( -6.671 -0.585 -0.360) 6.707 7.561 ( 6.671 0.585 -0.360) 6.707 8.000 ( -16.389 -0.273 7.140) 17.879 8.000 ( 16.389 0.273 7.140) 17.879 8.303 ( -16.587 -3.236 0.150) 16.901 8.303 ( 16.587 3.236 0.150) 16.901 8.465 ( -7.736 -7.355 -10.546) 15.006 8.465 ( 7.736 7.355 -10.546) 15.006 8.680 ( 1.621 -12.825 -4.055) 13.548 8.680 ( -1.621 12.825 -4.055) 13.548 8.955 ( 3.275 -6.208 -7.504) 10.275 8.955 ( -3.275 6.208 -7.504) 10.275 9.198 ( -0.369 -8.313 9.654) 12.745 9.198 ( 0.369 8.313 9.654) 12.745 9.297 ( -4.199 -1.648 -2.685) 5.249 9.297 ( 4.199 1.648 -2.685) 5.249 9.498 ( 2.786 -8.688 -2.301) 9.410 9.498 ( -2.786 8.688 -2.301) 9.410 9.646 ( -15.059 -4.245 9.720) 18.419 9.646 ( 15.059 4.245 9.720) 18.419 9.828 ( -2.531 -0.316 6.607) 7.083 9.828 ( 2.531 0.316 6.607) 7.083 10.185 ( -11.562 -8.083 -0.685) 14.124 10.185 ( 11.562 8.083 -0.685) 14.124 10.526 ( -12.905 -8.396 1.841) 15.505 10.526 ( 12.905 8.396 1.841) 15.505 10.916 ( -1.997 -5.667 -4.055) 7.249 10.916 ( 1.997 5.667 -4.055) 7.249 11.266 ( -3.859 0.191 -11.667) 12.290 11.266 ( 3.859 -0.191 -11.667) 12.290 11.584 ( -4.976 -1.843 -10.471) 11.739 11.584 ( 4.976 1.843 -10.471) 11.739 11.687 ( 0.554 -4.700 -2.260) 5.244 11.687 ( -0.554 4.700 -2.260) 5.244 12.070 ( 2.701 -7.025 -0.314) 7.533 12.070 ( -2.701 7.025 -0.314) 7.533 12.206 ( -7.265 -4.176 10.961) 13.798 12.206 ( 7.265 4.176 10.961) 13.798 12.706 ( -4.948 -2.261 -1.093) 5.549 12.706 ( 4.948 2.261 -1.093) 5.549 12.841 ( 2.010 -4.478 3.038) 5.772 12.841 ( -2.010 4.478 3.038) 5.772 13.079 ( -7.342 -6.856 -4.264) 10.913 13.079 ( 7.342 6.856 -4.264) 10.913 13.369 ( -4.343 -1.925 1.300) 4.925 13.369 ( 4.343 1.925 1.300) 4.925 13.845 ( -8.958 -3.333 3.091) 10.045 13.845 ( 8.958 3.333 3.091) 10.045 14.141 ( -15.758 1.522 1.033) 15.865 14.141 ( 15.758 -1.522 1.033) 15.865 14.517 ( -18.796 3.047 4.166) 19.492 14.517 ( 18.796 -3.047 4.166) 19.492 14.822 ( 1.124 -5.424 -0.497) 5.561 14.822 ( -1.124 5.424 -0.497) 5.561 15.102 ( 6.542 -5.242 -2.514) 8.752 15.102 ( -6.542 5.242 -2.514) 8.752 ======================= Grid point 77 (27/84) ======================= q-point: ( 0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 35.686 -0.000 34.643) 49.735 1.823 ( 38.046 -0.000 37.003) 53.072 2.740 ( 58.040 -0.000 54.323) 79.496 5.104 ( 14.700 -0.000 -33.009) 36.134 5.321 ( -0.604 0.000 -31.788) 31.794 5.627 ( 6.291 -0.000 2.334) 6.710 6.032 ( 4.682 -0.000 10.017) 11.057 6.347 ( 2.263 -0.000 9.312) 9.583 6.400 ( 8.745 -0.000 15.752) 18.017 6.535 ( 3.716 -0.000 10.092) 10.754 6.783 ( -9.635 0.000 18.480) 20.841 6.955 ( -9.072 0.000 -2.800) 9.494 7.015 ( -11.620 0.000 -1.041) 11.667 7.181 ( 17.847 -0.000 1.270) 17.893 7.345 ( -0.036 0.000 -9.974) 9.974 7.413 ( -14.316 0.000 1.214) 14.367 7.678 ( -0.239 0.000 -10.826) 10.829 7.737 ( -2.134 0.000 10.865) 11.072 7.771 ( 4.845 -0.000 -3.344) 5.887 7.951 ( -1.443 0.000 5.661) 5.843 8.010 ( 4.633 -0.000 -8.004) 9.248 8.287 ( 1.390 -0.000 -3.085) 3.384 8.371 ( 4.523 -0.000 -28.904) 29.255 8.713 ( 5.903 -0.000 -4.985) 7.727 8.769 ( -9.065 0.000 7.268) 11.619 8.991 ( 1.458 -0.000 5.487) 5.678 8.999 ( -7.772 0.000 -3.353) 8.464 9.163 ( 4.643 -0.000 3.666) 5.915 9.241 ( -5.084 0.000 3.415) 6.124 9.374 ( -13.742 0.000 7.187) 15.508 9.384 ( -11.185 0.000 10.523) 15.357 9.518 ( 4.338 -0.000 3.834) 5.789 9.666 ( -3.729 0.000 -4.924) 6.177 9.815 ( -2.575 0.000 -11.530) 11.814 9.839 ( -0.038 0.000 -9.851) 9.851 10.026 ( -7.840 0.000 -1.096) 7.917 10.083 ( -14.855 0.000 -11.762) 18.948 10.202 ( -2.148 0.000 -8.964) 9.218 10.422 ( -10.677 0.000 -5.708) 12.107 10.479 ( -25.208 0.000 -0.778) 25.220 10.609 ( -4.772 0.000 -9.399) 10.541 10.664 ( -19.414 0.000 -3.975) 19.817 10.889 ( -3.148 0.000 10.657) 11.112 11.011 ( 3.083 -0.000 9.790) 10.264 11.220 ( 11.832 -0.000 -5.076) 12.875 11.293 ( 0.674 -0.000 4.792) 4.840 11.333 ( -3.345 0.000 11.608) 12.081 11.564 ( 6.838 -0.000 -5.030) 8.489 11.929 ( 19.309 -0.000 -0.716) 19.322 12.002 ( 11.021 -0.000 -3.869) 11.681 12.019 ( 8.681 -0.000 -3.099) 9.217 12.045 ( -2.022 0.000 10.270) 10.467 12.169 ( -2.697 0.000 1.895) 3.296 12.320 ( 3.456 -0.000 1.092) 3.625 12.509 ( 0.199 -0.000 0.716) 0.743 12.710 ( -5.117 0.000 2.670) 5.771 12.780 ( -2.124 0.000 -6.913) 7.232 12.906 ( 9.109 -0.000 -3.153) 9.639 13.112 ( -1.777 0.000 -5.608) 5.883 13.137 ( 17.464 -0.000 2.758) 17.681 13.179 ( 0.406 -0.000 -4.527) 4.545 13.411 ( 8.788 -0.000 0.249) 8.791 13.628 ( 12.880 -0.000 -0.427) 12.887 13.633 ( -3.719 0.000 -6.923) 7.859 13.904 ( -1.734 0.000 3.936) 4.301 13.984 ( -4.473 0.000 -2.916) 5.340 14.065 ( -0.867 0.000 6.441) 6.499 14.349 ( -23.673 0.000 21.779) 32.167 14.440 ( 14.050 -0.000 2.940) 14.355 14.738 ( 6.789 -0.000 -1.502) 6.953 15.112 ( -12.047 0.000 6.388) 13.636 15.664 ( -8.468 0.000 -2.595) 8.856 ======================= Grid point 78 (28/84) ======================= q-point: ( 0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 38.106 -16.734 24.544) 48.317 2.485 ( 36.978 -19.304 28.841) 50.713 3.767 ( 57.554 -27.327 35.147) 72.764 5.254 ( 6.049 2.853 -23.280) 24.222 5.414 ( 8.857 -6.346 -25.092) 27.355 5.626 ( 2.094 7.167 -6.880) 10.153 5.949 ( 1.719 15.726 11.058) 19.301 6.378 ( 3.611 -0.395 8.789) 9.510 6.515 ( 4.441 -4.843 7.127) 9.694 6.579 ( -3.628 0.138 16.554) 16.947 6.747 ( -0.552 -6.593 8.030) 10.405 6.785 ( -15.046 -2.344 -0.544) 15.237 6.904 ( -9.003 -0.826 -3.175) 9.582 7.233 ( -14.348 -5.657 7.031) 16.950 7.278 ( -5.488 7.760 -11.141) 14.644 7.371 ( 6.277 0.758 -1.226) 6.441 7.637 ( 5.839 1.169 -1.697) 6.193 7.743 ( 4.118 1.602 -3.018) 5.351 7.904 ( -1.511 0.084 6.207) 6.389 7.959 ( 16.545 -0.712 2.230) 16.710 8.071 ( 1.008 -3.697 -1.267) 4.036 8.304 ( -0.382 -1.823 -10.718) 10.879 8.492 ( 0.188 -5.978 -13.750) 14.994 8.610 ( -12.067 2.809 4.030) 13.029 8.783 ( -1.760 -4.291 -6.933) 8.342 8.922 ( -4.494 1.018 -4.022) 6.117 9.010 ( -6.780 -3.020 0.848) 7.471 9.059 ( -12.500 -2.500 2.272) 12.949 9.133 ( -13.424 -0.872 8.055) 15.679 9.199 ( 0.639 6.120 7.033) 9.345 9.421 ( 5.730 5.204 6.226) 9.933 9.458 ( -2.017 7.274 2.038) 7.818 9.600 ( -8.729 4.093 -0.383) 9.648 9.656 ( -3.538 6.124 -11.862) 13.810 9.722 ( -6.037 2.830 -8.294) 10.642 9.889 ( -4.878 2.772 -0.967) 5.693 9.969 ( -3.806 -0.723 -1.084) 4.023 10.037 ( -11.502 5.140 -4.786) 13.477 10.221 ( -15.316 0.122 -3.639) 15.743 10.308 ( -6.780 0.719 -10.737) 12.719 10.411 ( -3.337 3.723 1.411) 5.195 10.735 ( -2.064 -9.692 -6.853) 12.048 10.875 ( 2.013 3.261 8.247) 9.094 11.094 ( 5.541 -3.389 5.553) 8.545 11.170 ( 0.172 5.634 6.422) 8.544 11.297 ( 0.212 0.042 -2.182) 2.193 11.449 ( -0.048 -8.482 5.127) 9.911 11.632 ( 5.860 2.638 -9.370) 11.362 11.855 ( 1.830 14.789 2.052) 15.042 12.004 ( 8.931 10.511 -1.095) 13.837 12.053 ( 0.641 5.097 3.152) 6.027 12.147 ( 9.243 1.133 -0.216) 9.315 12.287 ( 14.006 -3.384 1.483) 14.485 12.361 ( -3.317 -3.180 2.330) 5.152 12.499 ( -2.714 -0.587 2.308) 3.611 12.588 ( -5.233 2.607 4.947) 7.659 12.830 ( 0.857 -6.579 -7.802) 10.241 12.897 ( 0.009 1.740 3.073) 3.531 13.067 ( -1.749 12.175 -11.563) 16.881 13.177 ( -2.616 -4.290 -2.443) 5.587 13.335 ( 11.502 -0.058 1.833) 11.647 13.545 ( 3.299 0.416 -4.660) 5.725 13.585 ( 2.009 -6.347 3.579) 7.558 13.754 ( -3.038 -1.451 -3.480) 4.842 13.921 ( 0.483 -0.183 1.080) 1.197 14.058 ( 17.433 -4.397 3.104) 18.245 14.130 ( -7.939 -8.753 5.256) 12.933 14.263 ( -5.314 -11.817 7.969) 15.211 14.662 ( 16.318 -1.545 -0.518) 16.399 14.830 ( 5.703 -0.693 -0.664) 5.784 14.921 ( -16.015 0.558 6.918) 17.454 15.513 ( -11.721 2.450 -2.904) 12.321 ======================= Grid point 79 (29/84) ======================= q-point: ( 0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.145 ( 34.388 -23.390 18.750) 45.620 3.317 ( 34.345 -25.489 20.038) 47.231 4.818 ( 29.036 -12.157 20.972) 37.824 5.050 ( -6.387 21.024 2.261) 22.089 5.596 ( 6.315 -0.152 0.426) 6.331 5.603 ( 10.373 -5.603 -14.598) 18.764 5.823 ( 8.822 -4.813 -14.398) 17.559 6.347 ( -5.030 3.188 1.997) 6.281 6.534 ( -8.561 -0.101 7.368) 11.296 6.623 ( -6.278 -6.214 2.807) 9.269 6.677 ( -7.581 -7.109 3.184) 10.869 6.790 ( -4.668 0.475 -5.513) 7.239 6.885 ( -8.455 1.050 -6.038) 10.443 6.973 ( -6.072 1.557 -5.771) 8.520 7.263 ( -6.579 -12.554 9.894) 17.285 7.430 ( 3.276 -3.425 -6.204) 7.807 7.596 ( -1.799 12.077 9.247) 15.317 7.850 ( 2.572 -6.731 3.847) 8.168 7.889 ( 3.200 1.276 -0.454) 3.474 8.137 ( -5.355 -2.807 -1.130) 6.151 8.232 ( -15.627 5.358 -0.478) 16.527 8.284 ( 14.771 -2.200 -0.040) 14.934 8.346 ( 3.965 -3.769 4.009) 6.782 8.573 ( -7.651 -0.767 -4.736) 9.031 8.586 ( -16.850 22.242 5.864) 28.513 8.812 ( -0.153 -1.778 -7.001) 7.224 8.899 ( 0.204 -0.302 -1.845) 1.881 8.963 ( -6.877 -7.246 1.167) 10.057 9.124 ( -6.396 -8.266 -6.553) 12.336 9.200 ( -2.650 4.731 -1.069) 5.527 9.345 ( 0.942 2.790 4.014) 4.978 9.360 ( 5.577 0.229 -0.476) 5.602 9.454 ( 0.090 4.922 -3.713) 6.166 9.546 ( 0.323 8.557 -7.173) 11.170 9.719 ( -9.199 1.007 0.254) 9.257 9.730 ( -0.740 -0.964 4.207) 4.379 9.906 ( 5.182 3.291 3.598) 7.116 9.977 ( -0.065 5.200 3.393) 6.209 10.022 ( -6.144 2.457 -3.850) 7.656 10.271 ( -7.047 -5.181 -4.459) 9.817 10.384 ( 7.175 1.765 -1.358) 7.513 10.774 ( -0.943 4.615 5.095) 6.938 10.872 ( 1.992 -0.573 -0.639) 2.169 11.101 ( 4.933 6.218 -1.754) 8.129 11.221 ( 1.348 -2.679 -2.739) 4.061 11.344 ( 0.440 -9.060 -1.121) 9.140 11.484 ( 2.630 7.683 -1.276) 8.221 11.641 ( 5.165 3.394 -11.673) 13.208 11.719 ( -0.385 3.310 -2.783) 4.342 11.902 ( -0.929 8.177 -3.587) 8.977 11.990 ( 1.289 2.899 4.257) 5.309 12.152 ( 0.848 4.666 6.752) 8.251 12.317 ( -4.174 3.051 4.403) 6.790 12.438 ( -3.575 -8.150 5.181) 10.298 12.471 ( 2.633 7.766 1.030) 8.264 12.621 ( 10.811 -4.170 1.415) 11.674 12.838 ( -2.822 4.226 -1.299) 5.245 12.886 ( -2.555 0.381 2.600) 3.665 12.946 ( -4.905 -2.945 -7.880) 9.738 13.160 ( -0.873 -0.363 -4.726) 4.819 13.440 ( 7.523 2.143 1.741) 8.013 13.508 ( -2.674 1.887 -6.587) 7.356 13.703 ( -3.892 -0.716 -1.813) 4.353 13.786 ( 5.135 -7.963 7.774) 12.256 13.995 ( 1.975 -4.728 0.485) 5.147 14.082 ( -13.073 -5.739 2.405) 14.478 14.399 ( 21.191 -3.886 2.610) 21.701 14.447 ( -1.609 -10.225 0.478) 10.362 14.680 ( -14.754 0.124 8.951) 17.257 14.888 ( 9.258 -1.231 -2.755) 9.738 14.933 ( 9.725 -1.500 -1.244) 9.918 15.298 ( -12.273 4.311 -2.631) 13.271 ======================= Grid point 80 (30/84) ======================= q-point: ( 0.50 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.881 ( 19.016 -15.522 17.013) 29.866 4.139 ( 30.872 -21.322 13.206) 39.776 4.476 ( -5.092 27.291 10.139) 29.556 4.591 ( -8.738 29.587 13.027) 33.488 5.815 ( 0.694 -10.971 -11.277) 15.749 6.070 ( 4.391 -9.503 -12.209) 16.082 6.177 ( 6.340 -4.268 -9.852) 12.469 6.218 ( -5.192 12.763 -12.225) 18.420 6.380 ( 2.062 -14.725 3.811) 15.349 6.518 ( -13.529 -6.299 -2.886) 15.200 6.597 ( -18.045 -5.365 -4.348) 19.321 6.813 ( 0.163 -12.955 3.158) 13.335 6.846 ( 4.813 -8.777 3.777) 10.699 7.102 ( -4.517 -5.323 -1.070) 7.063 7.218 ( -14.670 16.047 12.412) 25.036 7.327 ( -11.909 14.881 7.486) 20.477 7.450 ( -4.841 11.329 9.668) 15.660 7.617 ( 3.063 -0.112 -5.717) 6.487 7.850 ( -5.811 -2.484 -3.351) 7.153 8.018 ( -11.153 6.840 10.367) 16.693 8.151 ( 0.263 -11.088 -5.103) 12.209 8.261 ( -2.923 -4.501 -0.324) 5.376 8.446 ( -1.403 -11.341 7.539) 13.690 8.586 ( 4.770 -4.197 -2.265) 6.745 8.666 ( 20.616 0.251 -1.426) 20.667 8.814 ( 1.880 8.078 -10.603) 13.461 8.917 ( -0.520 -2.273 -1.824) 2.960 8.994 ( -4.008 -4.578 3.815) 7.182 9.145 ( 4.184 -0.820 1.154) 4.417 9.196 ( -1.219 6.079 0.008) 6.200 9.219 ( -3.452 -5.602 -5.908) 8.843 9.377 ( -0.305 3.714 -2.832) 4.680 9.469 ( 6.830 2.242 3.898) 8.177 9.552 ( -3.634 3.834 -2.417) 5.809 9.559 ( 5.715 -0.173 -3.484) 6.695 9.746 ( 0.044 -2.495 5.819) 6.331 9.877 ( -3.366 3.020 6.680) 8.067 9.973 ( 4.695 0.479 1.591) 4.981 9.987 ( 3.932 -0.750 1.126) 4.158 10.310 ( 3.227 -1.410 -0.598) 3.572 10.484 ( 15.064 6.700 3.812) 16.922 10.667 ( -1.445 1.116 1.767) 2.541 10.898 ( 2.733 0.001 -3.109) 4.139 11.085 ( 6.140 4.932 -2.729) 8.335 11.249 ( -2.137 -1.735 -9.692) 10.076 11.378 ( 3.430 6.785 -7.993) 11.031 11.535 ( 4.315 -3.055 -3.953) 6.601 11.589 ( -3.874 1.036 -7.439) 8.451 11.695 ( 1.973 2.390 -6.143) 6.881 11.745 ( -3.680 5.087 -3.781) 7.330 12.006 ( 1.351 -2.675 3.094) 4.307 12.073 ( -6.120 1.029 7.892) 10.040 12.163 ( -3.555 9.284 -0.521) 9.955 12.334 ( -0.218 3.416 5.056) 6.106 12.612 ( -1.547 -2.390 3.517) 4.524 12.735 ( -6.152 -0.221 1.960) 6.461 12.740 ( -2.605 -6.791 3.049) 7.887 12.870 ( -0.719 -0.371 -1.262) 1.499 12.886 ( -3.235 -1.143 -1.003) 3.574 13.219 ( 6.829 -0.136 -5.806) 8.965 13.423 ( 4.841 6.389 -4.489) 9.187 13.487 ( 0.744 1.364 0.916) 1.804 13.669 ( -5.270 -2.307 1.890) 6.055 13.893 ( -18.751 -2.078 3.515) 19.191 13.958 ( 5.642 -2.349 4.915) 7.843 14.181 ( 2.534 -9.158 -0.667) 9.526 14.340 ( -14.114 3.213 4.443) 15.141 14.704 ( 15.413 -3.387 1.988) 15.906 14.732 ( 4.231 -7.763 2.671) 9.236 14.833 ( -8.785 4.437 -2.611) 10.183 15.105 ( -0.632 3.376 -1.722) 3.842 15.181 ( 11.714 -3.240 -1.962) 12.311 ======================= Grid point 81 (31/84) ======================= q-point: (-0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.534 ( -16.116 35.160 12.986) 40.799 3.735 ( -14.548 42.097 15.928) 47.303 4.755 ( 24.025 -14.909 12.025) 30.726 4.880 ( 24.382 -16.455 12.207) 31.848 5.699 ( -15.458 11.855 -17.475) 26.170 5.860 ( -11.113 15.389 -7.722) 20.493 6.032 ( -8.509 24.633 -9.340) 27.685 6.178 ( -9.284 16.089 6.613) 19.717 6.384 ( -14.586 -12.359 1.875) 19.209 6.464 ( -0.970 -7.798 -2.431) 8.225 6.557 ( -1.826 -5.913 -6.861) 9.240 6.663 ( -6.966 -4.956 5.086) 9.947 6.820 ( -15.602 4.842 9.836) 19.069 7.001 ( -5.571 -13.384 0.178) 14.498 7.215 ( -12.699 -7.599 -2.785) 15.059 7.422 ( -0.290 2.927 4.867) 5.686 7.505 ( 1.999 0.372 -11.865) 12.038 7.600 ( 18.885 -25.525 4.134) 32.019 7.855 ( -4.456 2.753 8.419) 9.915 7.983 ( 13.886 -3.741 1.777) 14.491 8.286 ( -1.638 -10.154 -9.726) 14.156 8.438 ( 5.138 -3.823 2.044) 6.723 8.565 ( -0.717 -2.727 0.843) 2.943 8.606 ( 1.377 11.496 -12.804) 17.263 8.730 ( 3.612 -7.480 0.327) 8.313 8.845 ( -3.939 -1.233 4.088) 5.809 8.941 ( 2.207 -0.981 8.501) 8.837 8.977 ( 5.446 4.759 -3.325) 7.960 9.127 ( -6.603 -8.052 0.734) 10.439 9.183 ( -5.057 -2.658 3.292) 6.593 9.301 ( 3.385 2.345 -2.147) 4.644 9.367 ( -0.360 -5.680 1.411) 5.864 9.508 ( 8.396 1.651 -4.867) 9.844 9.555 ( 8.084 3.935 1.717) 9.154 9.655 ( 5.308 -0.306 -3.097) 6.153 9.777 ( -0.985 0.123 6.582) 6.657 9.838 ( 1.180 -6.203 0.540) 6.337 9.997 ( 5.597 0.720 -1.532) 5.848 10.156 ( -1.388 -10.889 5.222) 12.156 10.227 ( 9.333 13.630 7.236) 18.035 10.692 ( 26.431 -0.785 5.194) 26.948 10.736 ( 4.764 -1.997 -8.745) 10.156 10.961 ( 0.284 -4.123 -5.552) 6.922 11.067 ( 4.080 6.630 0.237) 7.789 11.197 ( 0.590 7.017 -5.936) 9.210 11.393 ( 4.026 -1.379 -8.238) 9.272 11.430 ( -5.146 1.363 -8.786) 10.273 11.582 ( -2.637 0.696 -5.621) 6.247 11.676 ( 1.068 3.542 -7.691) 8.535 11.697 ( -6.085 -1.606 1.100) 6.389 11.960 ( -1.416 4.701 -0.431) 4.929 12.038 ( 0.377 0.548 4.516) 4.565 12.114 ( 0.438 -6.320 -1.464) 6.502 12.226 ( -11.664 1.882 1.924) 11.971 12.518 ( -4.989 0.656 10.502) 11.645 12.626 ( -7.400 1.204 5.832) 9.499 12.825 ( 0.034 3.231 -0.938) 3.365 12.844 ( -0.655 0.390 -1.935) 2.080 12.995 ( 1.442 -13.572 -3.874) 14.188 13.272 ( -2.504 2.741 -0.835) 3.805 13.383 ( 2.257 4.255 -5.957) 7.661 13.460 ( 1.653 2.953 4.583) 5.697 13.606 ( -10.983 -3.067 3.090) 11.815 13.727 ( -5.223 0.394 4.674) 7.020 13.972 ( -2.142 2.513 1.558) 3.651 14.141 ( -2.718 6.377 5.665) 8.952 14.370 ( 0.185 -9.311 -2.099) 9.546 14.547 ( -16.788 4.036 -3.312) 17.581 14.902 ( 9.408 -0.732 1.460) 9.548 14.937 ( 7.973 -1.182 -0.465) 8.073 15.043 ( 5.294 4.095 2.745) 7.235 15.405 ( 9.061 -5.757 -2.503) 11.023 ======================= Grid point 82 (32/84) ======================= q-point: (-0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( -13.003 40.749 17.953) 46.388 2.842 ( -12.352 45.207 18.374) 50.337 4.616 ( -8.528 61.990 29.409) 69.140 5.194 ( -1.132 6.699 -12.422) 14.159 5.377 ( 6.683 -4.463 4.906) 9.415 5.552 ( 7.739 -7.658 2.863) 11.257 5.703 ( -3.312 10.134 -26.861) 28.899 6.046 ( -12.218 -6.610 7.361) 15.721 6.355 ( -10.408 -9.351 5.538) 15.048 6.430 ( -9.781 7.665 16.819) 20.912 6.650 ( 1.493 -7.351 -5.471) 9.285 6.803 ( -0.833 -12.268 -1.994) 12.457 6.870 ( 3.733 -16.337 -1.833) 16.858 7.080 ( -10.281 -1.367 0.505) 10.384 7.163 ( -7.254 -12.707 -0.788) 14.653 7.382 ( 3.374 4.698 -13.064) 14.287 7.471 ( 3.938 2.986 3.737) 6.196 7.746 ( -1.293 4.191 -1.791) 4.738 8.050 ( 5.720 -1.877 -1.657) 6.244 8.260 ( -0.094 15.694 -1.178) 15.738 8.308 ( 10.213 -5.949 -1.562) 11.922 8.493 ( 6.644 3.880 -5.316) 9.352 8.525 ( 5.439 -5.816 1.982) 8.206 8.655 ( -3.705 -1.521 -9.731) 10.522 8.714 ( -5.247 -5.412 4.260) 8.658 8.808 ( -5.171 0.583 -1.132) 5.325 8.980 ( 0.678 -3.618 4.613) 5.902 9.095 ( -6.939 -1.330 -0.087) 7.066 9.175 ( 7.153 -8.396 2.423) 11.293 9.214 ( -0.291 -10.927 0.693) 10.953 9.344 ( 4.338 -2.190 2.782) 5.600 9.467 ( -1.901 -5.737 -0.219) 6.048 9.551 ( -0.612 3.980 -3.097) 5.080 9.602 ( 6.033 0.180 0.386) 6.048 9.644 ( 1.837 -3.916 0.329) 4.338 9.814 ( -1.439 1.843 1.319) 2.685 9.949 ( -2.769 -8.709 -4.776) 10.311 10.056 ( -1.388 -1.561 4.708) 5.151 10.242 ( 20.908 -4.150 -2.397) 21.451 10.482 ( 14.961 -8.373 7.498) 18.712 10.806 ( 0.849 -2.737 -4.585) 5.407 10.963 ( -2.199 5.600 1.480) 6.196 10.969 ( -7.204 -2.736 -7.195) 10.543 11.031 ( 6.916 3.698 -4.183) 8.889 11.117 ( 14.501 0.172 0.042) 14.502 11.338 ( -1.761 5.281 -1.084) 5.672 11.501 ( 2.689 2.644 0.814) 3.858 11.552 ( -4.263 0.272 -6.145) 7.484 11.619 ( -1.133 -7.807 -7.737) 11.050 11.674 ( 9.670 3.351 -5.588) 11.660 11.902 ( -2.338 2.703 3.627) 5.092 12.041 ( -4.833 0.564 0.739) 4.921 12.056 ( -0.797 0.616 0.713) 1.234 12.245 ( -7.862 -7.121 1.344) 10.692 12.378 ( -13.712 -4.867 0.228) 14.552 12.617 ( 4.338 -0.115 12.784) 13.500 12.762 ( 1.575 3.706 -0.513) 4.059 12.833 ( -4.389 -0.725 -3.993) 5.978 13.071 ( -10.990 4.483 3.459) 12.363 13.159 ( 1.667 -0.066 0.303) 1.695 13.296 ( -5.851 0.832 -5.541) 8.101 13.436 ( 3.301 6.075 4.293) 8.138 13.572 ( -5.191 -3.364 1.284) 6.318 13.710 ( 1.749 -0.994 4.357) 4.799 13.926 ( 2.816 1.516 0.023) 3.198 14.036 ( 2.396 6.784 2.223) 7.531 14.244 ( -14.712 3.166 -2.915) 15.329 14.531 ( -1.471 -6.893 -1.682) 7.246 14.823 ( 2.384 14.354 0.359) 14.555 15.051 ( 8.209 -0.552 0.830) 8.269 15.164 ( 6.381 -3.304 2.766) 7.700 15.586 ( 4.515 -5.645 -2.240) 7.567 ======================= Grid point 83 (33/84) ======================= q-point: (-0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 0.000 40.606 26.209) 48.330 2.018 ( 0.000 43.544 26.679) 51.068 3.430 ( 0.000 68.876 47.502) 83.667 5.014 ( 0.000 7.967 -29.377) 30.438 5.495 ( 0.000 8.552 -36.478) 37.467 5.498 ( -0.000 -1.889 10.465) 10.634 5.820 ( -0.000 -9.176 12.428) 15.449 6.109 ( -0.000 -10.882 7.784) 13.379 6.264 ( 0.000 3.888 18.756) 19.154 6.426 ( -0.000 -5.842 4.774) 7.544 6.784 ( -0.000 -7.495 4.764) 8.881 6.928 ( -0.000 -1.574 -0.216) 1.589 7.023 ( -0.000 -8.303 -3.462) 8.996 7.175 ( 0.000 3.484 11.154) 11.686 7.233 ( -0.000 -13.613 -4.299) 14.276 7.358 ( -0.000 -1.245 -15.776) 15.825 7.565 ( -0.000 -10.455 -2.613) 10.776 7.670 ( 0.000 4.195 -6.584) 7.807 8.017 ( 0.000 11.882 0.187) 11.884 8.031 ( 0.000 6.747 4.395) 8.052 8.268 ( 0.000 15.512 -6.681) 16.889 8.394 ( 0.000 4.126 5.727) 7.058 8.539 ( 0.000 7.532 -23.328) 24.514 8.696 ( 0.000 1.939 -0.843) 2.114 8.735 ( -0.000 -3.725 6.685) 7.653 8.841 ( -0.000 -5.123 3.473) 6.190 9.045 ( -0.000 -3.555 0.440) 3.583 9.060 ( -0.000 -4.165 5.951) 7.264 9.378 ( 0.000 5.108 -1.081) 5.221 9.413 ( -0.000 -11.533 -2.161) 11.734 9.446 ( -0.000 -10.904 3.815) 11.552 9.505 ( 0.000 3.653 0.293) 3.664 9.518 ( -0.000 -7.195 3.671) 8.077 9.692 ( -0.000 -9.211 -11.287) 14.569 9.710 ( -0.000 -1.623 3.148) 3.541 9.808 ( -0.000 -6.012 -4.757) 7.667 10.096 ( -0.000 -13.133 -12.100) 17.857 10.132 ( -0.000 -2.100 3.087) 3.734 10.496 ( -0.000 -6.116 -2.884) 6.762 10.706 ( -0.000 -3.878 0.838) 3.968 10.870 ( 0.000 1.114 2.224) 2.487 10.907 ( -0.000 -6.140 7.190) 9.455 10.912 ( 0.000 2.847 -8.585) 9.044 10.986 ( -0.000 -1.938 2.288) 2.999 11.130 ( 0.000 4.374 2.507) 5.041 11.289 ( 0.000 7.663 -13.264) 15.319 11.479 ( -0.000 -8.048 5.468) 9.730 11.665 ( -0.000 -1.453 -1.555) 2.128 11.688 ( -0.000 -5.298 -2.649) 5.924 11.793 ( 0.000 4.873 2.378) 5.422 11.805 ( 0.000 4.396 -2.854) 5.241 11.944 ( 0.000 3.859 3.639) 5.304 12.090 ( -0.000 -4.143 1.491) 4.403 12.112 ( -0.000 -4.493 2.238) 5.019 12.440 ( 0.000 0.610 -0.214) 0.646 12.660 ( -0.000 -0.096 12.161) 12.161 12.743 ( 0.000 0.072 -6.337) 6.338 12.811 ( -0.000 -9.092 -5.093) 10.421 12.973 ( 0.000 2.412 3.166) 3.980 13.065 ( 0.000 8.789 5.632) 10.439 13.256 ( 0.000 0.011 -3.995) 3.995 13.323 ( 0.000 7.561 7.426) 10.598 13.556 ( 0.000 2.672 5.213) 5.858 13.794 ( -0.000 -5.143 -6.436) 8.239 13.904 ( 0.000 2.813 -1.802) 3.341 14.054 ( -0.000 -1.296 -2.482) 2.800 14.060 ( 0.000 2.593 1.504) 2.998 14.576 ( 0.000 17.152 3.433) 17.492 14.594 ( -0.000 -2.691 -2.563) 3.716 15.118 ( 0.000 0.641 -0.001) 0.641 15.253 ( -0.000 -1.875 1.688) 2.523 15.698 ( -0.000 -4.491 -2.063) 4.942 ======================= Grid point 86 (34/84) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( 41.579 -0.000 19.004) 45.716 2.817 ( 39.494 -0.000 28.117) 48.480 4.350 ( 61.334 -0.000 27.312) 67.140 5.344 ( 2.289 -0.000 -23.245) 23.357 5.482 ( 13.168 -0.000 -27.285) 30.296 5.794 ( 6.140 -0.000 -0.557) 6.165 6.121 ( -0.794 0.000 6.766) 6.813 6.318 ( -10.347 0.000 7.496) 12.777 6.420 ( -8.707 0.000 5.133) 10.107 6.486 ( -17.948 0.000 3.106) 18.215 6.577 ( -1.128 0.000 8.265) 8.341 6.657 ( -2.941 0.000 12.984) 13.313 6.855 ( -1.032 0.000 -1.316) 1.672 6.892 ( -22.185 0.000 10.067) 24.362 7.307 ( -4.304 0.000 -10.876) 11.697 7.489 ( 3.037 -0.000 3.301) 4.485 7.633 ( -3.837 0.000 -15.385) 15.856 7.684 ( -2.535 0.000 11.512) 11.788 7.888 ( -4.290 0.000 -1.907) 4.695 8.129 ( -3.088 0.000 -1.213) 3.318 8.187 ( -7.333 0.000 -2.030) 7.609 8.303 ( -3.651 0.000 2.465) 4.405 8.351 ( 24.468 -0.000 0.534) 24.474 8.487 ( -9.366 0.000 7.167) 11.793 8.703 ( 1.786 -0.000 -11.663) 11.799 8.850 ( -23.356 0.000 7.396) 24.499 8.907 ( -9.174 0.000 6.984) 11.530 8.914 ( 0.774 -0.000 -10.212) 10.241 9.060 ( 13.213 -0.000 -8.224) 15.563 9.286 ( 0.050 -0.000 3.054) 3.055 9.412 ( -18.479 0.000 -2.323) 18.624 9.464 ( -6.650 0.000 -1.845) 6.901 9.560 ( 8.470 -0.000 7.259) 11.155 9.681 ( -1.609 0.000 -7.250) 7.427 9.737 ( 5.144 -0.000 -7.450) 9.053 9.764 ( -7.549 0.000 -6.232) 9.789 9.905 ( -4.777 0.000 -9.810) 10.911 10.011 ( -8.842 0.000 -8.437) 12.221 10.147 ( 8.362 -0.000 2.086) 8.618 10.375 ( 0.271 -0.000 3.814) 3.823 10.466 ( 0.060 -0.000 -11.249) 11.249 10.551 ( -0.369 0.000 -2.734) 2.758 10.865 ( -1.554 0.000 17.743) 17.811 11.183 ( 9.768 -0.000 3.545) 10.392 11.208 ( -5.607 0.000 3.903) 6.832 11.284 ( -3.865 0.000 4.663) 6.057 11.334 ( 2.658 -0.000 4.506) 5.232 11.731 ( 5.631 -0.000 -8.922) 10.550 11.947 ( -4.254 0.000 11.622) 12.376 12.046 ( -8.097 0.000 1.748) 8.283 12.226 ( 7.620 -0.000 -3.782) 8.507 12.289 ( -4.252 0.000 3.291) 5.377 12.350 ( 2.166 -0.000 1.662) 2.730 12.422 ( 14.325 -0.000 -0.783) 14.346 12.489 ( 5.021 -0.000 2.501) 5.609 12.523 ( -1.649 0.000 0.161) 1.657 12.717 ( -4.555 0.000 -5.738) 7.326 12.951 ( -5.401 0.000 -2.910) 6.135 13.094 ( 3.938 -0.000 -10.192) 10.926 13.182 ( -0.300 0.000 -13.670) 13.674 13.416 ( 5.052 -0.000 -1.792) 5.360 13.455 ( -10.757 0.000 -4.923) 11.831 13.540 ( -4.423 0.000 7.108) 8.372 13.786 ( 5.493 -0.000 1.580) 5.716 13.907 ( -9.501 0.000 6.026) 11.251 13.938 ( 5.723 -0.000 4.656) 7.378 14.111 ( 5.601 -0.000 3.668) 6.695 14.382 ( 21.989 -0.000 2.136) 22.093 14.689 ( -18.663 0.000 8.585) 20.542 14.880 ( 17.140 -0.000 -0.704) 17.154 14.898 ( 4.452 -0.000 -1.452) 4.683 15.370 ( -13.301 0.000 -3.071) 13.651 ======================= Grid point 87 (35/84) ======================= q-point: ( 0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.351 ( 39.600 -10.595 16.691) 44.261 3.441 ( 37.483 -14.775 19.587) 44.799 5.146 ( 42.994 -5.998 18.538) 47.203 5.318 ( 0.651 11.518 -7.636) 13.834 5.637 ( -0.774 9.882 -8.303) 12.930 5.701 ( 10.646 -4.156 -18.614) 21.843 5.973 ( -4.264 8.600 7.645) 12.271 6.150 ( -17.199 -2.870 2.083) 17.561 6.249 ( -19.125 -0.808 1.991) 19.245 6.437 ( -6.315 -12.367 6.111) 15.171 6.498 ( -6.569 -0.409 8.289) 10.584 6.661 ( -12.958 -9.747 7.655) 17.931 6.789 ( -0.153 2.559 -11.876) 12.150 6.956 ( -2.027 -14.726 7.615) 16.702 7.033 ( -12.070 14.931 -9.548) 21.443 7.441 ( 0.770 2.047 -1.681) 2.759 7.645 ( -11.116 -10.797 -14.758) 21.399 7.738 ( -9.452 11.857 11.717) 19.163 7.826 ( -4.922 -11.143 13.941) 18.513 7.909 ( -11.429 -9.583 -1.324) 14.974 8.017 ( -7.306 2.165 4.610) 8.906 8.341 ( 0.602 1.923 1.227) 2.359 8.478 ( -8.736 3.305 0.546) 9.357 8.595 ( -4.005 -7.937 6.834) 11.214 8.691 ( 2.634 -0.005 2.191) 3.426 8.788 ( -1.337 4.124 4.430) 6.198 8.830 ( 8.988 6.918 -2.059) 11.528 8.892 ( 12.958 0.273 -3.364) 13.390 9.161 ( 4.920 4.181 -11.217) 12.942 9.217 ( -5.581 4.220 -2.558) 7.450 9.295 ( -1.372 -5.241 -4.028) 6.751 9.439 ( 4.708 -1.797 -7.733) 9.230 9.577 ( 3.263 7.309 -2.561) 8.404 9.644 ( -1.838 1.426 3.579) 4.269 9.676 ( -1.504 2.636 -2.998) 4.266 9.756 ( 6.473 5.949 -10.059) 13.359 9.930 ( -4.200 -5.269 -8.990) 11.235 9.972 ( 2.853 -4.531 -1.572) 5.580 10.106 ( 1.045 12.882 -4.345) 13.635 10.355 ( 3.489 4.197 4.740) 7.229 10.485 ( 14.685 0.049 3.465) 15.088 10.714 ( 0.886 -8.785 -6.658) 11.058 10.882 ( -0.972 -1.218 11.483) 11.588 11.136 ( -3.341 -3.250 3.063) 5.577 11.184 ( -4.895 1.820 3.536) 6.307 11.321 ( 9.280 -0.097 1.955) 9.484 11.457 ( 0.607 -7.169 2.820) 7.728 11.760 ( -1.574 4.838 -6.701) 8.413 11.816 ( -1.634 4.836 0.287) 5.113 11.932 ( -7.067 0.207 6.746) 9.772 12.156 ( 2.456 12.752 -2.769) 13.279 12.245 ( -4.099 2.486 3.193) 5.760 12.274 ( -2.828 2.776 4.829) 6.247 12.398 ( 3.055 5.474 -0.035) 6.269 12.533 ( 1.001 -0.366 -0.914) 1.404 12.695 ( 7.024 -1.911 2.973) 7.863 12.722 ( -6.910 -5.499 -2.557) 9.194 12.915 ( 0.642 1.829 -1.691) 2.572 12.976 ( -4.328 9.770 -5.780) 12.148 13.187 ( 3.043 -0.873 -11.088) 11.531 13.352 ( -7.045 -3.045 -5.779) 9.607 13.521 ( -0.916 -6.143 4.339) 7.577 13.581 ( -1.030 -9.937 -4.587) 10.993 13.784 ( -9.334 0.960 3.931) 10.173 13.840 ( 7.000 3.317 1.330) 7.859 14.010 ( -1.368 -3.396 3.766) 5.252 14.283 ( 4.364 -7.674 -1.599) 8.972 14.478 ( -10.697 -1.784 12.405) 16.477 14.654 ( 17.377 -1.136 0.909) 17.438 14.915 ( -3.092 0.771 -2.314) 3.938 15.089 ( 13.770 -0.320 -1.882) 13.902 15.209 ( -7.234 0.970 -1.335) 7.420 ======================= Grid point 88 (36/84) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.990 ( 28.934 -9.381 16.312) 34.514 4.206 ( 34.522 -20.439 11.375) 41.701 4.903 ( -1.791 27.770 5.731) 28.412 5.067 ( -2.023 35.846 11.980) 37.849 5.641 ( -6.121 -7.016 -2.521) 9.646 5.917 ( -13.794 -11.599 -1.418) 18.078 6.027 ( -6.880 -10.650 -8.464) 15.244 6.121 ( -3.573 -11.016 -4.683) 12.492 6.162 ( 1.139 -10.632 0.042) 10.693 6.397 ( -6.511 2.405 -2.175) 7.274 6.448 ( -15.079 14.725 -18.801) 28.244 6.639 ( 9.976 -14.641 9.166) 19.947 6.767 ( -9.396 -15.883 0.599) 18.464 6.784 ( -1.190 1.107 -6.438) 6.640 7.197 ( -14.876 7.883 10.290) 19.731 7.279 ( -1.954 -5.920 8.417) 10.475 7.531 ( 0.820 -9.148 -5.527) 10.719 7.789 ( -4.403 2.880 -6.570) 8.417 7.803 ( -1.267 9.857 3.416) 10.509 7.910 ( -2.916 -5.250 -1.745) 6.254 8.101 ( -1.542 -10.959 13.196) 17.223 8.177 ( -9.539 17.251 5.861) 20.565 8.248 ( -3.970 0.038 13.622) 14.189 8.496 ( -1.104 -8.654 7.002) 11.187 8.678 ( -5.180 -6.937 -2.278) 8.952 8.794 ( 0.297 -5.128 -2.169) 5.576 8.929 ( 5.302 -3.176 1.739) 6.421 9.040 ( -1.763 8.833 -7.552) 11.754 9.088 ( -3.521 3.803 -6.732) 8.495 9.286 ( 6.364 -4.372 -2.835) 8.225 9.359 ( 8.002 1.267 -5.703) 9.908 9.471 ( 1.400 12.565 1.842) 12.777 9.483 ( 4.522 1.741 2.528) 5.465 9.625 ( 7.394 -4.202 -9.430) 12.698 9.698 ( 4.599 1.947 -3.385) 6.033 9.777 ( 10.585 8.007 -1.258) 13.332 9.913 ( -0.228 4.735 0.283) 4.749 9.973 ( -1.824 -2.235 -4.479) 5.327 10.069 ( 7.977 1.382 0.022) 8.096 10.437 ( 9.577 -4.763 1.127) 10.756 10.673 ( 4.224 2.305 2.456) 5.402 10.788 ( 14.802 4.605 5.358) 16.402 10.877 ( -2.308 -2.556 -2.625) 4.330 11.102 ( -7.890 -5.159 -6.579) 11.496 11.223 ( 4.331 -0.295 1.622) 4.634 11.448 ( 5.679 -2.068 0.333) 6.053 11.515 ( -4.041 -3.357 2.108) 5.661 11.552 ( -7.843 4.313 -0.095) 8.951 11.771 ( -4.882 9.488 -0.517) 10.683 11.840 ( 6.785 4.177 -9.757) 12.597 12.031 ( 1.629 3.259 3.656) 5.161 12.114 ( 0.733 5.814 0.340) 5.870 12.259 ( -5.596 2.203 -2.477) 6.504 12.313 ( -2.930 4.532 3.245) 6.297 12.538 ( -1.115 -4.362 1.281) 4.681 12.588 ( -11.116 2.358 2.876) 11.722 12.726 ( -0.272 4.414 3.810) 5.837 12.810 ( -2.385 1.117 -0.796) 2.751 12.947 ( 2.264 1.126 0.142) 2.533 13.277 ( 0.685 -3.737 -4.786) 6.110 13.328 ( -3.803 -4.348 -5.396) 7.904 13.574 ( -14.960 -1.868 2.889) 15.350 13.619 ( 7.575 6.391 -5.121) 11.156 13.754 ( -0.295 -7.022 0.629) 7.057 13.903 ( 4.567 -4.841 3.061) 7.325 13.993 ( -8.075 -3.673 0.426) 8.882 14.302 ( -0.492 1.804 7.148) 7.389 14.618 ( 3.869 -11.166 1.596) 11.925 14.706 ( -13.256 2.968 -5.022) 14.483 14.901 ( 11.197 -0.636 3.032) 11.618 15.155 ( 2.101 0.815 -0.497) 2.308 15.279 ( 9.589 -1.834 -1.494) 9.877 ======================= Grid point 89 (37/84) ======================= q-point: (-0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.954 ( -4.106 31.687 11.387) 33.920 4.319 ( -5.282 43.444 11.074) 45.143 4.886 ( 26.797 -8.867 10.883) 30.251 4.969 ( 27.369 -14.001 10.535) 32.497 5.554 ( -19.944 -5.487 6.860) 21.793 5.859 ( -20.945 -7.078 -1.142) 22.138 5.893 ( -15.159 5.264 -14.387) 21.552 6.156 ( 2.133 3.562 -16.466) 16.981 6.297 ( -1.175 -7.947 -8.201) 11.480 6.346 ( 5.118 -10.271 -6.031) 12.964 6.433 ( -5.029 -9.377 -2.009) 10.829 6.739 ( -5.364 -6.373 -8.694) 12.041 6.796 ( -10.916 11.848 13.568) 21.062 6.833 ( -6.623 2.211 1.613) 7.166 6.951 ( -10.490 31.989 9.950) 35.105 7.262 ( 11.734 -23.699 2.376) 26.551 7.515 ( 6.348 -0.573 5.773) 8.600 7.671 ( -2.302 -3.369 -0.674) 4.135 7.764 ( 0.770 2.727 -3.793) 4.735 8.082 ( 2.695 -13.551 -3.927) 14.364 8.091 ( 5.650 -5.657 3.936) 8.912 8.247 ( -1.979 -12.727 8.107) 15.219 8.402 ( -3.942 -12.710 6.985) 15.029 8.647 ( -1.195 -10.349 7.521) 12.849 8.753 ( 0.268 0.928 -6.824) 6.892 8.821 ( -0.208 -1.320 3.857) 4.082 8.941 ( 5.199 4.163 -9.525) 11.622 8.955 ( -7.073 -4.281 0.691) 8.296 9.066 ( 0.978 -3.600 0.298) 3.742 9.195 ( -0.009 17.284 1.872) 17.385 9.243 ( -8.635 2.067 0.035) 8.879 9.331 ( -2.856 -3.658 -0.622) 4.683 9.630 ( 3.800 4.459 -1.191) 5.978 9.641 ( -1.528 1.881 -7.821) 8.188 9.760 ( 7.483 6.081 -0.377) 9.650 9.858 ( 7.891 -0.651 -3.850) 8.804 9.914 ( 4.049 3.191 6.483) 8.283 10.060 ( 16.691 -6.432 0.832) 17.907 10.146 ( 7.041 5.503 0.268) 8.940 10.540 ( 0.819 7.324 6.142) 9.594 10.659 ( 4.950 -5.082 -2.741) 7.606 10.849 ( -7.638 -2.845 -4.337) 9.232 10.975 ( 6.374 -2.993 -3.560) 7.891 11.150 ( 7.002 -3.012 -3.120) 8.237 11.291 ( 4.463 -2.671 -7.763) 9.344 11.373 ( -5.879 2.682 -6.758) 9.350 11.433 ( 1.405 9.027 2.998) 9.615 11.544 ( -8.107 4.228 -1.263) 9.231 11.608 ( 0.636 -2.499 -0.482) 2.623 11.859 ( 9.625 5.969 -4.148) 12.061 12.045 ( -1.487 -0.701 0.508) 1.721 12.067 ( 1.411 3.207 -1.132) 3.682 12.092 ( -2.872 5.374 -1.216) 6.213 12.181 ( 0.128 5.932 0.734) 5.978 12.376 ( -14.925 3.908 4.016) 15.942 12.631 ( -2.124 -2.391 6.231) 7.004 12.744 ( 1.789 -9.895 2.918) 10.471 12.787 ( -2.258 -2.065 -1.124) 3.260 12.935 ( 1.482 2.269 1.051) 2.907 13.218 ( -12.785 4.201 2.230) 13.641 13.329 ( -5.352 -4.576 -0.005) 7.042 13.487 ( 1.563 -1.500 -3.161) 3.833 13.611 ( 5.596 5.095 -1.628) 7.741 13.759 ( -1.427 4.355 1.703) 4.889 14.001 ( 5.416 -0.017 -1.248) 5.558 14.119 ( 0.286 -14.040 1.761) 14.153 14.263 ( 0.320 3.460 5.384) 6.408 14.398 ( -17.603 5.022 -4.924) 18.956 14.876 ( 4.401 -10.298 -0.202) 11.201 15.037 ( 6.382 -0.958 3.203) 7.205 15.151 ( 1.854 3.241 0.493) 3.766 15.418 ( 5.013 -3.705 -2.157) 6.596 ======================= Grid point 90 (38/84) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.303 ( 0.000 40.620 13.680) 42.862 3.533 ( 0.000 47.302 13.186) 49.106 5.289 ( -0.000 -3.741 7.798) 8.648 5.322 ( -0.000 -3.138 6.078) 6.841 5.363 ( 0.000 12.760 6.985) 14.547 5.620 ( 0.000 4.510 -13.388) 14.127 5.877 ( 0.000 23.673 -4.647) 24.124 5.969 ( 0.000 16.727 11.779) 20.458 6.055 ( -0.000 -8.177 -5.223) 9.703 6.492 ( 0.000 1.411 11.335) 11.422 6.581 ( -0.000 -4.140 -9.527) 10.388 6.581 ( -0.000 -5.434 4.294) 6.925 6.637 ( -0.000 -16.272 -3.503) 16.645 6.876 ( -0.000 -14.106 -4.189) 14.714 6.948 ( -0.000 -6.081 -1.054) 6.172 7.487 ( 0.000 2.668 -19.827) 20.006 7.564 ( 0.000 3.768 21.181) 21.513 7.748 ( -0.000 -1.245 -5.611) 5.747 7.864 ( -0.000 -20.346 -7.713) 21.759 8.331 ( -0.000 -13.196 -0.640) 13.212 8.365 ( -0.000 -10.742 0.202) 10.744 8.425 ( -0.000 -1.264 -0.202) 1.280 8.459 ( -0.000 -14.815 6.294) 16.097 8.589 ( 0.000 14.545 -4.361) 15.185 8.751 ( -0.000 -2.844 3.512) 4.519 8.859 ( 0.000 17.518 0.182) 17.519 8.892 ( -0.000 -6.521 9.398) 11.439 9.009 ( -0.000 -5.090 2.228) 5.556 9.056 ( -0.000 -8.255 1.429) 8.378 9.128 ( -0.000 -0.872 -6.400) 6.459 9.265 ( -0.000 -11.494 -2.628) 11.790 9.374 ( -0.000 -2.874 2.912) 4.091 9.532 ( 0.000 4.460 -7.894) 9.067 9.632 ( -0.000 -0.549 3.162) 3.210 9.731 ( 0.000 4.725 -3.555) 5.913 9.888 ( 0.000 1.354 -8.029) 8.142 9.907 ( 0.000 0.770 10.754) 10.782 10.001 ( 0.000 8.333 9.316) 12.499 10.398 ( -0.000 -2.335 -5.883) 6.330 10.534 ( -0.000 -10.177 4.431) 11.100 10.636 ( 0.000 1.917 5.103) 5.451 10.883 ( -0.000 -2.404 -12.376) 12.608 11.030 ( 0.000 1.947 -4.933) 5.304 11.211 ( 0.000 10.297 -2.413) 10.576 11.225 ( 0.000 2.887 -1.850) 3.429 11.387 ( -0.000 -6.275 -2.205) 6.651 11.447 ( -0.000 -7.264 -9.739) 12.150 11.468 ( -0.000 -0.331 5.376) 5.386 11.552 ( 0.000 4.969 -12.891) 13.816 11.946 ( 0.000 3.569 4.570) 5.799 11.973 ( 0.000 2.492 -5.049) 5.630 12.014 ( 0.000 0.729 4.850) 4.904 12.015 ( 0.000 3.194 1.140) 3.391 12.129 ( 0.000 5.599 4.466) 7.162 12.206 ( -0.000 -4.373 -3.791) 5.788 12.652 ( -0.000 -0.793 13.541) 13.564 12.775 ( 0.000 0.323 -5.698) 5.708 12.850 ( 0.000 2.504 1.162) 2.760 13.030 ( -0.000 -12.925 -3.409) 13.367 13.037 ( 0.000 3.548 6.424) 7.339 13.318 ( 0.000 2.524 -2.577) 3.607 13.499 ( 0.000 0.271 -2.100) 2.118 13.610 ( 0.000 8.730 3.573) 9.433 13.671 ( -0.000 -3.832 4.709) 6.071 14.061 ( 0.000 7.580 -2.639) 8.027 14.122 ( 0.000 0.142 -1.794) 1.800 14.180 ( 0.000 6.559 2.957) 7.195 14.368 ( -0.000 -11.719 -0.496) 11.730 15.025 ( 0.000 6.845 -0.411) 6.857 15.048 ( -0.000 -4.743 -0.215) 4.748 15.148 ( -0.000 -2.333 3.704) 4.377 15.524 ( -0.000 -5.323 -2.262) 5.783 ======================= Grid point 95 (39/84) ======================= q-point: ( 0.38 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.779 ( 40.136 -0.000 10.991) 41.614 3.808 ( 37.175 -0.000 18.888) 41.698 5.376 ( -3.849 0.000 -5.095) 6.386 5.587 ( 24.996 -0.000 7.962) 26.233 5.637 ( -29.588 0.000 2.085) 29.661 5.781 ( 9.308 -0.000 -15.962) 18.478 5.905 ( -12.557 0.000 0.352) 12.562 5.939 ( 3.840 -0.000 -1.655) 4.181 6.055 ( -15.712 0.000 5.187) 16.546 6.312 ( -2.128 0.000 6.548) 6.885 6.455 ( -4.286 0.000 10.601) 11.434 6.482 ( -7.410 0.000 6.000) 9.535 6.663 ( 4.441 -0.000 8.641) 9.715 6.859 ( -2.289 0.000 -11.140) 11.372 7.083 ( -9.845 0.000 -6.883) 12.013 7.209 ( -22.231 0.000 -14.367) 26.469 7.566 ( 0.060 -0.000 5.826) 5.827 7.614 ( -2.512 0.000 7.693) 8.092 7.730 ( -9.761 0.000 15.790) 18.563 7.733 ( -2.904 0.000 -6.263) 6.903 7.916 ( -4.261 0.000 1.995) 4.705 8.267 ( -10.177 0.000 7.483) 12.632 8.362 ( -10.792 0.000 5.547) 12.134 8.608 ( -1.232 0.000 1.331) 1.814 8.674 ( 12.696 -0.000 -6.345) 14.193 8.752 ( -3.881 0.000 10.281) 10.989 8.986 ( -2.257 0.000 -1.712) 2.833 9.196 ( 0.986 -0.000 -7.272) 7.339 9.197 ( -0.001 0.000 0.795) 0.795 9.310 ( 0.235 -0.000 -6.980) 6.984 9.311 ( 30.347 -0.000 -1.150) 30.369 9.437 ( 2.304 -0.000 -12.440) 12.652 9.602 ( -4.407 0.000 -7.486) 8.687 9.648 ( -0.242 0.000 -0.446) 0.507 9.723 ( 2.082 -0.000 -6.495) 6.821 9.861 ( 0.549 -0.000 -0.184) 0.579 9.892 ( 6.000 -0.000 -13.458) 14.735 10.035 ( 18.665 -0.000 -2.850) 18.881 10.305 ( -1.787 0.000 -9.515) 9.681 10.337 ( -1.392 0.000 15.209) 15.273 10.534 ( 2.214 -0.000 -13.864) 14.040 10.815 ( -2.034 0.000 17.689) 17.806 10.868 ( 24.501 -0.000 1.609) 24.554 11.052 ( -8.885 0.000 -1.570) 9.023 11.109 ( -8.419 0.000 8.967) 12.300 11.400 ( 2.693 -0.000 -0.461) 2.732 11.451 ( 9.728 -0.000 1.589) 9.857 11.685 ( -15.912 0.000 9.848) 18.713 11.826 ( 0.821 -0.000 -4.911) 4.979 11.871 ( -0.561 0.000 8.830) 8.848 12.187 ( -2.458 0.000 6.520) 6.968 12.254 ( -0.421 0.000 -4.709) 4.727 12.390 ( -1.749 0.000 0.937) 1.984 12.437 ( -11.245 0.000 -5.116) 12.354 12.542 ( 8.947 -0.000 -0.004) 8.947 12.580 ( -4.445 0.000 -0.738) 4.506 12.797 ( 9.153 -0.000 3.909) 9.953 12.924 ( -0.715 0.000 -4.522) 4.578 13.048 ( -6.124 0.000 -8.128) 10.177 13.110 ( -6.573 0.000 0.776) 6.618 13.282 ( -9.126 0.000 -6.368) 11.128 13.319 ( -1.038 0.000 -2.777) 2.965 13.520 ( 0.658 -0.000 -0.834) 1.062 13.798 ( 3.587 -0.000 -4.108) 5.454 13.873 ( -11.273 0.000 3.642) 11.847 13.987 ( 8.636 -0.000 -0.517) 8.652 14.304 ( 5.870 -0.000 -0.904) 5.939 14.366 ( -2.022 0.000 15.254) 15.387 14.753 ( -7.526 0.000 -7.014) 10.287 14.899 ( 6.435 -0.000 1.723) 6.662 15.163 ( -0.249 0.000 0.766) 0.805 15.250 ( 10.518 -0.000 -1.362) 10.606 ======================= Grid point 96 (40/84) ======================= q-point: ( 0.50 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.282 ( 30.067 -2.826 14.249) 33.392 4.388 ( 36.403 -12.152 8.566) 39.323 5.187 ( -14.859 6.104 7.551) 17.750 5.297 ( -27.506 -4.152 5.835) 28.423 5.513 ( -12.573 14.865 6.397) 20.493 5.687 ( 5.345 16.070 1.040) 16.968 5.881 ( -3.331 -1.729 -6.726) 7.703 5.972 ( 7.853 -6.578 -11.330) 15.275 6.073 ( -2.987 2.847 -0.218) 4.132 6.272 ( -9.331 -3.009 0.239) 9.807 6.294 ( -7.457 -19.637 2.532) 21.158 6.564 ( -8.974 18.700 -15.701) 26.015 6.728 ( 18.221 -7.770 14.417) 24.499 6.891 ( 0.334 7.603 -10.306) 12.811 7.019 ( 0.648 -22.866 5.983) 23.645 7.079 ( -13.531 -1.263 -1.712) 13.697 7.486 ( 0.653 2.034 2.692) 3.437 7.654 ( -1.820 -5.599 5.154) 7.825 7.774 ( -1.482 -6.415 -2.054) 6.897 7.788 ( 0.051 -10.986 8.822) 14.090 7.924 ( -2.076 -5.834 4.322) 7.552 8.131 ( -9.585 1.213 0.360) 9.668 8.306 ( -3.367 -6.317 10.009) 12.306 8.544 ( -2.568 5.817 -2.979) 7.022 8.615 ( -2.522 20.270 13.113) 24.274 8.794 ( 3.425 -1.019 -0.675) 3.637 8.947 ( 6.281 -0.527 2.040) 6.624 9.066 ( -2.097 -0.743 -1.759) 2.836 9.188 ( -2.617 7.987 -5.548) 10.071 9.258 ( -2.396 5.798 -7.401) 9.703 9.366 ( -6.035 2.506 -2.645) 7.049 9.530 ( -0.413 -3.983 -9.052) 9.898 9.666 ( 4.049 -0.672 -7.055) 8.162 9.746 ( 7.975 -7.696 -8.430) 13.924 9.822 ( 6.414 2.771 0.166) 6.989 9.914 ( 10.899 3.226 -4.665) 12.287 10.000 ( 13.007 0.825 -0.800) 13.058 10.078 ( 1.222 12.525 -7.183) 14.491 10.229 ( 10.800 2.828 1.395) 11.251 10.422 ( 4.612 -5.458 7.624) 10.449 10.658 ( -1.164 -8.988 -11.343) 14.519 10.774 ( -12.595 0.920 5.186) 13.652 10.872 ( -8.593 -1.073 4.203) 9.625 11.036 ( 3.817 -1.296 1.077) 4.173 11.195 ( 7.632 -6.100 0.868) 9.809 11.424 ( -4.731 4.730 1.688) 6.900 11.528 ( 1.387 -1.024 4.406) 4.731 11.560 ( 6.425 -0.168 1.881) 6.697 11.849 ( -0.099 2.724 7.841) 8.302 11.893 ( 1.833 -5.152 -5.556) 7.795 12.164 ( -1.031 1.513 1.233) 2.207 12.194 ( 0.903 11.269 -0.641) 11.324 12.226 ( -1.199 6.012 -2.214) 6.518 12.323 ( -4.365 0.901 2.320) 5.025 12.497 ( -9.105 0.958 2.300) 9.440 12.590 ( 3.656 6.865 -0.135) 7.779 12.799 ( -4.639 8.244 -4.623) 10.529 12.832 ( -2.094 3.778 4.044) 5.917 12.935 ( -1.021 -3.024 2.080) 3.809 13.137 ( -4.782 -3.397 -1.151) 5.978 13.283 ( -1.265 -9.067 -4.187) 10.067 13.418 ( 0.171 -5.049 -9.848) 11.068 13.503 ( -4.247 -5.735 4.091) 8.226 13.776 ( -1.662 -1.773 0.334) 2.453 13.830 ( 0.245 2.666 -2.763) 3.848 14.074 ( 10.547 2.984 -3.776) 11.594 14.333 ( 1.259 0.493 12.022) 12.098 14.477 ( 0.261 -8.150 -0.336) 8.161 14.566 ( -12.698 0.954 -5.564) 13.896 15.003 ( 6.023 -0.736 1.298) 6.205 15.180 ( 1.503 -0.373 1.431) 2.109 15.357 ( 5.350 -0.624 -1.381) 5.560 ======================= Grid point 97 (41/84) ======================= q-point: (-0.38 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.382 ( 0.000 18.614 10.793) 21.517 4.889 ( 0.000 18.932 6.578) 20.043 5.030 ( -0.000 -14.284 8.717) 16.734 5.139 ( 0.000 7.620 8.988) 11.784 5.211 ( 0.000 4.965 12.082) 13.063 5.350 ( -0.000 -9.010 6.305) 10.997 5.982 ( -0.000 -2.856 -10.370) 10.756 6.175 ( -0.000 -12.590 -7.038) 14.424 6.201 ( -0.000 -7.412 -4.767) 8.812 6.210 ( 0.000 7.138 -16.015) 17.534 6.240 ( -0.000 -2.384 -6.788) 7.194 6.553 ( -0.000 -16.912 0.638) 16.924 6.727 ( 0.000 8.421 -17.148) 19.104 6.896 ( 0.000 7.661 8.559) 11.487 7.054 ( -0.000 -12.202 9.647) 15.555 7.336 ( -0.000 -7.525 8.413) 11.287 7.510 ( -0.000 -4.145 -3.522) 5.439 7.725 ( 0.000 18.846 4.873) 19.466 7.817 ( -0.000 -10.920 -1.583) 11.034 7.904 ( -0.000 -1.192 -3.794) 3.977 7.979 ( -0.000 -4.106 7.312) 8.386 8.149 ( -0.000 -12.998 8.930) 15.770 8.170 ( 0.000 8.318 19.209) 20.933 8.441 ( -0.000 -11.656 10.440) 15.647 8.604 ( -0.000 -9.780 -8.049) 12.666 8.850 ( -0.000 -1.469 -2.337) 2.760 8.977 ( 0.000 12.790 -3.334) 13.218 9.035 ( -0.000 -0.054 -8.898) 8.898 9.043 ( -0.000 -0.155 2.282) 2.288 9.218 ( -0.000 -5.219 0.919) 5.299 9.256 ( 0.000 6.444 -0.953) 6.514 9.478 ( 0.000 12.530 0.024) 12.530 9.664 ( 0.000 3.932 -11.280) 11.945 9.801 ( 0.000 11.916 -5.338) 13.057 9.821 ( -0.000 -5.448 -1.781) 5.732 9.923 ( 0.000 4.619 -0.047) 4.619 9.924 ( -0.000 -1.851 -0.949) 2.080 10.228 ( -0.000 -1.937 -1.729) 2.597 10.360 ( 0.000 3.568 2.241) 4.214 10.401 ( 0.000 0.575 1.294) 1.416 10.677 ( -0.000 -8.354 -1.958) 8.581 10.736 ( -0.000 -0.831 -0.074) 0.834 10.889 ( -0.000 -5.058 -2.704) 5.735 11.141 ( -0.000 -4.573 -1.781) 4.907 11.308 ( 0.000 2.292 -5.244) 5.723 11.312 ( -0.000 -5.014 4.262) 6.581 11.524 ( 0.000 2.452 1.754) 3.015 11.646 ( 0.000 1.708 -3.913) 4.270 11.681 ( 0.000 13.527 2.883) 13.831 12.008 ( -0.000 -2.496 -10.813) 11.098 12.029 ( 0.000 5.283 5.356) 7.523 12.107 ( 0.000 4.391 -1.519) 4.647 12.165 ( 0.000 3.533 -4.670) 5.855 12.325 ( 0.000 4.041 5.317) 6.678 12.332 ( 0.000 5.169 6.147) 8.032 12.486 ( -0.000 -0.744 0.701) 1.022 12.741 ( -0.000 -1.074 -1.943) 2.220 12.742 ( 0.000 2.742 7.699) 8.173 12.961 ( -0.000 -0.444 3.205) 3.235 13.194 ( -0.000 -6.388 0.509) 6.408 13.225 ( 0.000 6.905 0.933) 6.968 13.471 ( -0.000 -2.733 -10.225) 10.584 13.745 ( 0.000 6.743 -2.110) 7.066 13.747 ( -0.000 -13.477 -0.421) 13.484 13.815 ( -0.000 -7.650 3.957) 8.613 14.151 ( 0.000 0.615 -4.678) 4.718 14.305 ( 0.000 5.010 1.632) 5.269 14.339 ( 0.000 3.900 1.237) 4.092 14.712 ( -0.000 -12.618 0.669) 12.635 15.059 ( -0.000 -1.229 2.269) 2.581 15.192 ( 0.000 0.530 0.693) 0.872 15.409 ( -0.000 -1.673 -1.672) 2.365 ======================= Grid point 105 (42/84) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.525 ( 0.000 -0.000 11.236) 11.236 4.708 ( -0.000 0.000 5.582) 5.582 4.826 ( 0.000 -0.000 7.068) 7.068 5.025 ( -0.000 0.000 13.628) 13.628 5.775 ( 0.000 -0.000 -7.217) 7.217 5.798 ( 0.000 -0.000 4.801) 4.801 5.806 ( 0.000 -0.000 -4.097) 4.097 5.932 ( 0.000 -0.000 0.390) 0.390 6.013 ( 0.000 -0.000 -8.742) 8.742 6.163 ( -0.000 0.000 -1.639) 1.639 6.421 ( 0.000 -0.000 8.215) 8.215 6.539 ( -0.000 0.000 1.282) 1.282 6.750 ( 0.000 -0.000 -13.949) 13.949 6.823 ( 0.000 -0.000 9.203) 9.203 6.891 ( 0.000 -0.000 -0.641) 0.641 6.997 ( 0.000 -0.000 -4.890) 4.890 7.575 ( 0.000 -0.000 4.196) 4.196 7.579 ( 0.000 -0.000 12.188) 12.188 7.632 ( 0.000 -0.000 16.017) 16.017 7.716 ( 0.000 -0.000 -12.342) 12.342 7.863 ( 0.000 -0.000 1.207) 1.207 8.037 ( 0.000 -0.000 0.651) 0.651 8.248 ( 0.000 -0.000 5.758) 5.758 8.573 ( 0.000 -0.000 3.659) 3.659 8.702 ( 0.000 -0.000 12.677) 12.677 8.943 ( -0.000 0.000 -8.248) 8.248 8.975 ( 0.000 -0.000 -6.063) 6.063 9.131 ( -0.000 0.000 1.159) 1.159 9.152 ( 0.000 -0.000 6.164) 6.164 9.229 ( 0.000 -0.000 5.153) 5.153 9.496 ( 0.000 -0.000 -15.526) 15.526 9.498 ( -0.000 0.000 -14.745) 14.745 9.553 ( 0.000 -0.000 -13.404) 13.404 9.667 ( 0.000 -0.000 -3.339) 3.339 9.887 ( 0.000 -0.000 4.913) 4.913 10.021 ( 0.000 -0.000 -8.870) 8.870 10.218 ( 0.000 -0.000 -15.620) 15.620 10.289 ( 0.000 -0.000 16.557) 16.557 10.380 ( 0.000 -0.000 -1.276) 1.276 10.398 ( 0.000 -0.000 -0.407) 0.407 10.414 ( -0.000 0.000 0.169) 0.169 10.633 ( -0.000 0.000 -12.104) 12.104 10.812 ( 0.000 -0.000 16.891) 16.891 11.032 ( 0.000 -0.000 5.912) 5.912 11.196 ( 0.000 -0.000 -11.170) 11.170 11.473 ( 0.000 -0.000 14.593) 14.593 11.558 ( 0.000 -0.000 -5.953) 5.953 11.563 ( -0.000 0.000 3.018) 3.018 11.827 ( 0.000 -0.000 -2.223) 2.223 11.886 ( 0.000 -0.000 10.721) 10.721 12.188 ( 0.000 -0.000 -2.960) 2.960 12.256 ( 0.000 -0.000 -5.099) 5.099 12.303 ( 0.000 -0.000 6.581) 6.581 12.356 ( 0.000 -0.000 0.686) 0.686 12.397 ( -0.000 0.000 3.487) 3.487 12.732 ( -0.000 0.000 0.936) 0.936 12.813 ( 0.000 -0.000 1.891) 1.891 12.895 ( 0.000 -0.000 -6.789) 6.789 12.922 ( 0.000 -0.000 3.468) 3.468 13.028 ( 0.000 -0.000 4.751) 4.751 13.075 ( 0.000 -0.000 -6.079) 6.079 13.405 ( 0.000 -0.000 -14.020) 14.020 13.495 ( 0.000 -0.000 1.514) 1.514 13.679 ( -0.000 0.000 3.284) 3.284 13.906 ( 0.000 -0.000 -4.798) 4.798 14.192 ( 0.000 -0.000 -6.241) 6.241 14.338 ( 0.000 -0.000 18.459) 18.459 14.417 ( 0.000 -0.000 -2.808) 2.808 14.459 ( 0.000 -0.000 -7.240) 7.240 15.033 ( 0.000 -0.000 0.247) 0.247 15.187 ( 0.000 -0.000 2.548) 2.548 15.387 ( 0.000 -0.000 -1.339) 1.339 ======================= Grid point 134 (43/84) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 0.000 0.000 47.985) 47.985 2.296 ( 0.000 0.000 51.932) 51.932 3.748 ( 0.000 0.000 81.977) 81.977 4.064 ( 0.000 0.000 -40.895) 40.895 4.414 ( 0.000 0.000 -45.616) 45.616 5.811 ( 0.000 0.000 15.693) 15.693 6.181 ( 0.000 0.000 6.980) 6.980 6.559 ( 0.000 0.000 12.013) 12.013 6.570 ( 0.000 0.000 -13.119) 13.119 6.649 ( 0.000 0.000 16.505) 16.505 6.861 ( 0.000 0.000 -16.588) 16.588 6.896 ( 0.000 0.000 -1.419) 1.419 7.057 ( 0.000 0.000 -8.195) 8.195 7.218 ( 0.000 0.000 -1.114) 1.114 7.257 ( 0.000 0.000 -23.493) 23.493 7.314 ( 0.000 0.000 -8.468) 8.468 7.398 ( 0.000 0.000 8.245) 8.245 7.472 ( 0.000 0.000 -2.920) 2.920 7.497 ( 0.000 0.000 -13.121) 13.121 8.006 ( 0.000 0.000 -8.981) 8.981 8.147 ( 0.000 0.000 19.471) 19.471 8.301 ( 0.000 0.000 18.958) 18.958 8.521 ( 0.000 0.000 10.083) 10.083 8.642 ( 0.000 0.000 3.460) 3.460 8.942 ( 0.000 0.000 -4.101) 4.101 9.033 ( 0.000 0.000 1.432) 1.432 9.039 ( 0.000 0.000 -4.279) 4.279 9.188 ( 0.000 0.000 6.478) 6.478 9.230 ( 0.000 0.000 -18.917) 18.917 9.274 ( 0.000 0.000 6.953) 6.953 9.511 ( 0.000 0.000 -6.629) 6.629 9.604 ( 0.000 0.000 -9.168) 9.168 9.607 ( 0.000 0.000 -4.613) 4.613 9.684 ( 0.000 0.000 -4.687) 4.687 9.875 ( 0.000 0.000 -7.742) 7.742 9.940 ( 0.000 0.000 2.857) 2.857 9.988 ( 0.000 0.000 1.735) 1.735 10.091 ( 0.000 0.000 -0.781) 0.781 10.553 ( 0.000 0.000 -12.918) 12.918 10.641 ( 0.000 0.000 -6.459) 6.459 10.779 ( 0.000 0.000 0.680) 0.680 10.817 ( 0.000 0.000 -0.825) 0.825 10.960 ( 0.000 0.000 6.868) 6.868 11.073 ( 0.000 0.000 1.843) 1.843 11.264 ( 0.000 0.000 12.179) 12.179 11.561 ( 0.000 0.000 10.521) 10.521 11.626 ( 0.000 0.000 1.583) 1.583 11.678 ( 0.000 0.000 -4.365) 4.365 11.703 ( 0.000 0.000 -1.526) 1.526 11.739 ( 0.000 0.000 -1.416) 1.416 11.846 ( 0.000 0.000 -1.715) 1.715 11.858 ( 0.000 0.000 -2.449) 2.449 12.319 ( 0.000 0.000 5.482) 5.482 12.392 ( 0.000 0.000 5.327) 5.327 12.523 ( 0.000 0.000 15.112) 15.112 12.615 ( 0.000 0.000 -7.680) 7.680 12.737 ( 0.000 0.000 3.791) 3.791 12.752 ( 0.000 0.000 -13.274) 13.274 12.968 ( 0.000 0.000 6.383) 6.383 12.982 ( 0.000 0.000 7.700) 7.700 13.217 ( 0.000 0.000 -5.235) 5.235 13.273 ( 0.000 0.000 -1.785) 1.785 13.452 ( 0.000 0.000 -2.273) 2.273 13.507 ( 0.000 0.000 -8.509) 8.509 13.901 ( 0.000 0.000 -2.774) 2.774 13.927 ( 0.000 0.000 -7.371) 7.371 14.127 ( 0.000 0.000 8.459) 8.459 14.515 ( 0.000 0.000 -6.708) 6.708 14.564 ( 0.000 0.000 11.971) 11.971 14.934 ( 0.000 0.000 -4.836) 4.836 15.424 ( 0.000 0.000 7.931) 7.931 15.709 ( 0.000 0.000 -4.410) 4.410 ======================= Grid point 135 (44/84) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 21.048 -16.039 41.782) 49.457 2.491 ( 11.397 -14.694 46.972) 50.519 4.095 ( 14.205 -28.548 72.788) 79.466 4.197 ( 11.127 -7.029 -38.870) 41.038 4.492 ( 3.325 -7.304 -43.767) 44.497 5.807 ( -0.922 1.394 15.746) 15.835 6.197 ( 0.960 1.148 9.186) 9.307 6.486 ( 1.122 6.842 7.239) 10.023 6.551 ( -0.211 2.475 -1.998) 3.188 6.719 ( 10.872 0.117 14.164) 17.856 6.871 ( -0.897 1.558 -5.642) 5.921 6.963 ( 2.228 2.433 -7.682) 8.360 6.987 ( 2.404 2.419 -2.899) 4.476 7.140 ( -1.778 5.920 -3.281) 6.998 7.218 ( -9.275 -1.431 -4.629) 10.464 7.303 ( 5.369 -2.575 -32.699) 33.237 7.422 ( -0.947 1.044 -13.910) 13.981 7.448 ( 2.320 9.290 -6.913) 11.810 7.520 ( 4.809 -4.839 6.597) 9.490 7.994 ( -5.756 -4.945 -4.571) 8.859 8.184 ( 1.917 0.400 12.913) 13.061 8.317 ( -2.100 -3.549 16.628) 17.132 8.480 ( -7.762 -2.741 8.143) 11.579 8.662 ( -1.791 -3.454 1.053) 4.031 8.901 ( -1.644 4.258 -3.636) 5.835 9.011 ( 0.816 1.508 -0.113) 1.719 9.064 ( -5.673 -6.479 -3.918) 9.460 9.179 ( 4.062 2.284 1.930) 5.044 9.285 ( 2.662 -1.467 -10.231) 10.673 9.322 ( 6.760 -0.199 4.586) 8.171 9.458 ( -0.925 5.453 -2.182) 5.946 9.536 ( -2.346 6.401 -3.717) 7.765 9.646 ( 5.069 1.464 -1.960) 5.628 9.734 ( -3.319 -1.273 -2.373) 4.274 9.792 ( -2.710 3.641 -3.529) 5.749 9.800 ( -4.821 2.859 3.527) 6.623 9.989 ( -6.614 -0.678 1.966) 6.933 10.086 ( 4.433 5.603 -5.256) 8.870 10.371 ( -19.127 4.541 -8.787) 21.533 10.494 ( -10.255 -0.492 -10.361) 14.586 10.728 ( -3.487 0.235 -2.384) 4.231 10.759 ( -14.265 -4.362 -3.113) 15.239 11.094 ( 10.087 2.225 3.535) 10.917 11.124 ( 2.628 5.200 2.552) 6.361 11.250 ( -20.581 3.673 7.174) 22.103 11.322 ( 3.179 0.042 8.454) 9.032 11.540 ( -12.276 2.092 0.793) 12.479 11.544 ( -2.408 3.437 0.006) 4.197 11.693 ( 4.900 1.948 -0.608) 5.308 11.835 ( 10.382 -3.352 -1.273) 10.984 11.876 ( 4.868 2.292 1.577) 5.607 12.005 ( 5.858 3.793 -0.862) 7.032 12.249 ( -1.358 7.759 7.417) 10.819 12.409 ( 4.300 0.723 6.700) 7.994 12.510 ( 10.720 4.304 3.826) 12.169 12.617 ( 0.369 0.010 -8.742) 8.750 12.720 ( 1.922 7.195 -4.573) 8.739 12.792 ( 7.042 -0.356 -5.205) 8.764 13.026 ( -0.492 -7.394 5.035) 8.959 13.092 ( 6.456 -3.893 7.086) 10.346 13.224 ( -0.287 -0.859 -3.648) 3.759 13.299 ( -0.329 -4.126 -0.799) 4.216 13.509 ( 4.083 -8.438 -2.597) 9.727 13.659 ( 1.132 -10.312 -3.852) 11.066 13.861 ( 0.215 4.853 -2.831) 5.623 13.954 ( 2.877 -1.669 -3.191) 4.609 14.156 ( 2.802 -2.189 6.613) 7.508 14.528 ( 0.858 -0.164 -6.075) 6.137 14.574 ( -1.375 -2.997 9.977) 10.508 14.903 ( -9.556 -4.634 -3.338) 11.133 15.374 ( -5.701 1.616 7.889) 9.867 15.657 ( -4.976 2.348 -4.392) 7.040 ======================= Grid point 136 (45/84) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.020 ( 19.774 -24.575 37.208) 48.779 3.091 ( 27.648 -25.532 31.879) 49.321 4.546 ( 16.016 -13.444 -33.120) 39.169 4.742 ( 9.720 -13.628 -38.376) 41.868 4.896 ( 18.624 -37.470 52.365) 67.029 5.657 ( -10.508 9.759 15.069) 20.802 6.056 ( -3.055 12.526 18.567) 22.605 6.414 ( -3.193 10.580 -3.978) 11.746 6.528 ( 5.632 -0.519 1.046) 5.751 6.753 ( -2.392 6.509 -1.592) 7.115 6.784 ( -2.816 7.557 -0.358) 8.073 6.894 ( 9.925 2.031 8.959) 13.524 7.027 ( 1.516 4.179 -0.090) 4.446 7.063 ( 1.674 0.113 -3.097) 3.523 7.207 ( -5.220 -2.951 -3.997) 7.207 7.320 ( 14.948 3.402 -9.333) 17.947 7.384 ( 5.554 5.954 -10.162) 13.022 7.589 ( 10.010 -12.427 -28.464) 32.632 7.687 ( 2.941 -9.884 1.596) 10.435 8.005 ( -6.646 -4.774 -4.680) 9.427 8.177 ( -2.129 0.173 4.361) 4.856 8.292 ( -8.771 -3.736 9.816) 13.683 8.449 ( -0.594 3.199 -2.545) 4.131 8.680 ( -2.618 -0.601 -2.790) 3.873 8.758 ( -6.493 7.456 3.775) 10.583 8.977 ( -7.519 -2.160 -0.602) 7.846 9.073 ( -2.773 4.732 -0.617) 5.519 9.213 ( -3.403 -2.436 -6.593) 7.809 9.247 ( 0.930 7.777 1.856) 8.050 9.316 ( -0.136 3.932 -0.765) 4.008 9.405 ( -4.538 0.411 4.741) 6.575 9.455 ( 3.246 -0.909 6.027) 6.905 9.544 ( -9.361 3.609 5.903) 11.640 9.601 ( -6.439 6.123 2.980) 9.372 9.687 ( 3.486 2.883 3.150) 5.513 9.886 ( -1.285 -1.391 -5.362) 5.686 9.926 ( -2.704 -7.352 3.956) 8.775 10.017 ( -10.463 5.048 -5.283) 12.762 10.087 ( 3.185 4.894 -5.997) 8.370 10.469 ( -3.021 -1.917 -15.120) 15.537 10.588 ( -18.439 -2.267 0.203) 18.579 10.686 ( -13.615 -7.594 -4.452) 16.213 10.852 ( -14.664 5.830 3.876) 16.249 11.031 ( -0.991 4.952 -0.757) 5.107 11.192 ( 0.690 4.914 4.990) 7.038 11.250 ( 4.887 8.740 4.169) 10.846 11.377 ( -4.607 0.701 -8.807) 9.964 11.563 ( 1.041 1.925 0.379) 2.221 11.690 ( -2.638 15.852 1.196) 16.114 11.783 ( 10.541 2.406 2.770) 11.161 11.993 ( 4.960 1.887 2.609) 5.913 12.096 ( 7.502 -1.875 1.328) 7.846 12.167 ( 10.891 1.157 1.902) 11.116 12.386 ( -0.305 13.213 -5.592) 14.351 12.509 ( -0.857 -5.438 0.454) 5.524 12.670 ( 1.776 -3.958 -3.636) 5.661 12.708 ( 6.824 1.131 1.196) 7.020 12.859 ( -0.389 -0.614 -0.452) 0.856 13.102 ( -2.846 -1.479 -1.388) 3.495 13.181 ( 4.446 1.671 -4.064) 6.252 13.310 ( 7.566 -2.779 5.068) 9.522 13.380 ( -2.522 -6.352 3.630) 7.738 13.690 ( 3.163 -6.144 -1.390) 7.049 13.802 ( -4.787 -6.818 -4.072) 9.273 13.878 ( 13.489 -0.520 5.990) 14.768 14.032 ( 7.215 -1.761 2.909) 7.976 14.289 ( 7.154 -5.028 -0.348) 8.751 14.538 ( 0.441 -0.490 -5.713) 5.750 14.629 ( -3.654 -7.733 6.719) 10.876 14.867 ( -6.756 -4.131 -2.327) 8.253 15.231 ( -10.696 2.908 7.742) 13.520 15.511 ( -9.189 4.356 -4.544) 11.138 ======================= Grid point 137 (46/84) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.730 ( 22.662 -27.847 28.460) 45.815 3.891 ( 26.583 -28.748 25.931) 46.963 4.940 ( 1.667 -6.635 -11.305) 13.214 5.147 ( 15.813 -12.818 -25.418) 32.564 5.244 ( -8.027 9.248 11.626) 16.885 5.341 ( -6.064 6.890 5.618) 10.762 6.051 ( -8.798 15.731 -10.028) 20.626 6.150 ( 6.023 -12.365 15.336) 20.600 6.354 ( -6.632 3.878 -7.988) 11.083 6.728 ( 7.088 -4.393 10.019) 13.035 6.806 ( 5.515 1.728 8.025) 9.890 6.862 ( 2.067 2.867 3.052) 4.670 7.079 ( -1.405 2.891 -1.352) 3.487 7.105 ( -1.236 -8.947 -3.208) 9.584 7.275 ( 10.475 -3.676 10.527) 15.299 7.346 ( 8.939 6.637 -5.580) 12.453 7.624 ( 17.835 -6.084 -7.549) 20.300 7.817 ( 0.890 4.231 4.830) 6.482 7.900 ( 7.177 -10.874 -4.491) 13.782 8.008 ( -3.999 2.231 -8.346) 9.520 8.098 ( -5.544 4.856 -4.464) 8.616 8.216 ( 5.072 0.966 -11.160) 12.296 8.367 ( -1.776 4.398 -7.714) 9.056 8.487 ( -17.951 1.156 6.599) 19.161 8.543 ( -10.164 7.601 -5.616) 13.879 8.793 ( -13.863 3.621 -0.367) 14.333 8.967 ( -7.899 -2.934 4.500) 9.553 9.079 ( -2.614 11.378 -0.131) 11.676 9.177 ( -4.764 2.921 4.430) 7.131 9.276 ( -4.531 -7.139 -3.197) 9.040 9.349 ( -6.628 2.330 -2.602) 7.492 9.382 ( -1.155 -0.440 5.939) 6.066 9.490 ( 0.223 2.279 2.250) 3.210 9.542 ( -0.778 0.045 6.669) 6.714 9.740 ( 13.353 3.850 8.641) 16.364 9.827 ( -4.063 -2.934 -4.708) 6.876 9.946 ( 1.691 -0.088 2.677) 3.168 10.032 ( -10.251 -8.853 5.665) 14.682 10.105 ( 13.120 8.082 -2.345) 15.587 10.335 ( -19.561 -6.051 6.192) 21.391 10.506 ( 4.753 4.078 -0.973) 6.338 10.606 ( -19.734 -10.883 -6.304) 23.401 10.719 ( 1.781 1.511 -9.475) 9.758 10.984 ( 1.881 1.037 -7.681) 7.975 11.034 ( -0.212 11.379 8.580) 14.253 11.227 ( 0.837 3.325 -3.227) 4.709 11.346 ( -0.707 1.978 -9.381) 9.613 11.401 ( -2.267 10.084 -4.962) 11.465 11.549 ( 1.876 0.726 -1.570) 2.552 11.765 ( -2.963 5.375 -4.431) 7.570 11.977 ( 2.753 2.053 1.140) 3.618 12.147 ( 0.465 9.196 -6.534) 11.290 12.273 ( 10.476 -1.883 9.013) 13.947 12.387 ( 11.120 -1.623 1.787) 11.379 12.612 ( 2.865 -4.923 0.537) 5.721 12.732 ( -3.215 -3.037 -1.049) 4.545 12.793 ( 0.705 -4.183 5.356) 6.832 12.836 ( 3.712 1.205 -1.514) 4.186 13.003 ( -6.101 4.381 -3.504) 8.288 13.163 ( -4.258 2.381 -8.027) 9.393 13.387 ( 2.639 -0.523 7.586) 8.049 13.447 ( -1.090 -3.253 4.447) 5.617 13.795 ( 7.575 0.634 -0.917) 7.656 13.855 ( -5.580 -6.971 -2.211) 9.199 14.054 ( 9.758 -2.147 7.612) 12.561 14.221 ( 8.179 -3.279 0.396) 8.821 14.408 ( 3.605 -3.376 3.828) 6.249 14.637 ( 14.594 -0.494 -3.863) 15.105 14.715 ( -7.022 -9.709 1.564) 12.084 14.855 ( -2.042 -0.737 -2.652) 3.427 15.026 ( -12.296 2.376 6.819) 14.260 15.288 ( -12.082 5.984 -4.704) 14.279 ======================= Grid point 138 (47/84) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.439 ( 12.812 -18.583 23.809) 32.808 4.439 ( -12.812 18.583 23.809) 32.808 4.706 ( 17.252 -21.499 20.012) 34.064 4.706 ( -17.252 21.499 20.012) 34.064 5.590 ( 10.072 -19.740 -22.066) 31.273 5.590 ( -10.072 19.740 -22.066) 31.273 5.726 ( 18.299 -17.807 -24.020) 35.056 5.726 ( -18.299 17.807 -24.020) 35.056 6.768 ( -1.983 0.773 7.114) 7.426 6.768 ( 1.983 -0.773 7.114) 7.426 6.881 ( -8.496 -4.920 6.147) 11.584 6.881 ( 8.496 4.920 6.147) 11.584 7.206 ( 5.463 -20.121 7.472) 22.148 7.206 ( -5.463 20.121 7.472) 22.148 7.287 ( 3.842 -12.063 4.397) 13.402 7.287 ( -3.842 12.063 4.397) 13.402 7.659 ( -1.654 -7.722 10.399) 13.058 7.659 ( 1.654 7.722 10.399) 13.058 8.048 ( -17.527 0.741 -4.872) 18.207 8.048 ( 17.527 -0.741 -4.872) 18.207 8.158 ( 0.554 -10.908 -10.227) 14.963 8.158 ( -0.554 10.908 -10.227) 14.963 8.280 ( -20.476 -4.274 -4.399) 21.375 8.280 ( 20.476 4.274 -4.399) 21.375 8.571 ( -0.977 -2.995 -12.982) 13.358 8.571 ( 0.977 2.995 -12.982) 13.358 8.916 ( -5.300 -8.825 8.949) 13.640 8.916 ( 5.300 8.825 8.949) 13.640 9.216 ( 1.368 -5.840 -2.298) 6.423 9.216 ( -1.368 5.840 -2.298) 6.423 9.346 ( -1.611 -5.138 1.568) 5.608 9.346 ( 1.611 5.138 1.568) 5.608 9.501 ( -1.673 -1.245 1.006) 2.315 9.501 ( 1.673 1.245 1.006) 2.315 9.854 ( -8.805 -6.179 4.743) 11.756 9.854 ( 8.805 6.179 4.743) 11.756 9.947 ( -10.240 -5.038 7.294) 13.543 9.947 ( 10.240 5.038 7.294) 13.543 10.207 ( -16.352 -5.224 3.512) 17.522 10.207 ( 16.352 5.224 3.512) 17.522 10.542 ( -15.958 -11.136 -0.903) 19.480 10.542 ( 15.958 11.136 -0.903) 19.480 10.835 ( -1.930 -8.649 -3.518) 9.534 10.835 ( 1.930 8.649 -3.518) 9.534 11.061 ( 2.945 -7.538 -6.159) 10.170 11.061 ( -2.945 7.538 -6.159) 10.170 11.346 ( -5.377 -1.920 -9.445) 11.036 11.346 ( 5.377 1.920 -9.445) 11.036 11.619 ( 2.039 -4.365 -3.928) 6.216 11.619 ( -2.039 4.365 -3.928) 6.216 12.023 ( 2.435 -3.335 -2.675) 4.921 12.023 ( -2.435 3.335 -2.675) 4.921 12.429 ( -4.281 -2.260 8.359) 9.660 12.429 ( 4.281 2.260 8.359) 9.660 12.693 ( -3.624 -1.450 -0.722) 3.970 12.693 ( 3.624 1.450 -0.722) 3.970 12.863 ( 0.108 -3.454 -0.724) 3.531 12.863 ( -0.108 3.454 -0.724) 3.531 12.997 ( -6.457 -4.750 -2.794) 8.489 12.997 ( 6.457 4.750 -2.794) 8.489 13.437 ( -5.950 -4.652 4.676) 8.883 13.437 ( 5.950 4.652 4.676) 8.883 13.861 ( -8.411 -4.664 -1.812) 9.787 13.861 ( 8.411 4.664 -1.812) 9.787 14.198 ( -8.315 0.674 3.652) 9.107 14.198 ( 8.315 -0.674 3.652) 9.107 14.629 ( -17.062 1.015 5.655) 18.003 14.629 ( 17.062 -1.015 5.655) 18.003 14.800 ( -3.921 -0.424 -1.729) 4.306 14.800 ( 3.921 0.424 -1.729) 4.306 15.035 ( 5.401 -6.307 -3.192) 8.896 15.035 ( -5.401 6.307 -3.192) 8.896 ======================= Grid point 144 (48/84) ======================= q-point: ( 0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 20.978 -0.000 43.990) 48.736 2.639 ( 31.855 -0.000 39.011) 50.365 4.158 ( 31.309 -0.000 71.036) 77.630 4.334 ( 18.317 -0.000 -37.851) 42.050 4.487 ( 5.760 -0.000 -42.012) 42.405 5.840 ( 2.164 -0.000 13.787) 13.956 6.240 ( 3.582 -0.000 5.867) 6.874 6.558 ( -0.043 0.000 -4.065) 4.066 6.584 ( 1.935 -0.000 11.592) 11.753 6.787 ( -0.415 0.000 -6.193) 6.207 6.897 ( 0.335 -0.000 2.812) 2.832 6.974 ( 0.523 -0.000 7.195) 7.214 7.002 ( -14.857 0.000 2.607) 15.084 7.150 ( -2.094 0.000 -7.822) 8.098 7.172 ( 15.380 -0.000 -4.516) 16.029 7.378 ( -4.429 0.000 -12.800) 13.545 7.389 ( 9.939 -0.000 -31.405) 32.940 7.521 ( 0.313 -0.000 5.634) 5.643 7.602 ( 5.865 -0.000 -8.191) 10.074 7.900 ( -1.881 0.000 -1.567) 2.448 8.224 ( -5.098 0.000 17.507) 18.234 8.225 ( 0.378 -0.000 13.302) 13.308 8.365 ( -4.091 0.000 7.552) 8.588 8.610 ( -0.840 0.000 -4.428) 4.507 8.871 ( -9.052 0.000 1.323) 9.148 8.928 ( -5.399 0.000 -3.517) 6.444 8.994 ( -1.334 0.000 -4.642) 4.829 9.276 ( 1.898 -0.000 -20.847) 20.933 9.317 ( 6.430 -0.000 8.698) 10.817 9.386 ( -2.280 0.000 7.780) 8.107 9.476 ( -3.606 0.000 -0.466) 3.636 9.579 ( -13.755 0.000 3.288) 14.142 9.602 ( -9.152 0.000 1.808) 9.328 9.657 ( -1.346 0.000 -3.159) 3.434 9.706 ( 2.931 -0.000 -0.641) 3.000 9.847 ( 4.811 -0.000 -6.845) 8.366 9.998 ( -10.331 0.000 -8.330) 13.271 10.040 ( -8.121 0.000 1.965) 8.356 10.255 ( -13.471 0.000 -16.485) 21.289 10.299 ( -12.876 0.000 -6.337) 14.351 10.523 ( -12.254 0.000 0.901) 12.287 10.597 ( -14.992 0.000 -2.791) 15.249 11.022 ( -4.364 0.000 4.313) 6.136 11.181 ( -1.502 0.000 2.941) 3.302 11.257 ( 6.359 -0.000 5.267) 8.257 11.414 ( 0.992 -0.000 5.395) 5.486 11.443 ( 1.415 -0.000 -4.176) 4.409 11.515 ( -3.964 0.000 4.868) 6.278 11.927 ( 20.911 -0.000 0.365) 20.914 11.954 ( 14.013 -0.000 -1.140) 14.059 11.988 ( 8.449 -0.000 0.828) 8.490 12.152 ( 4.807 -0.000 -2.120) 5.253 12.236 ( -4.457 0.000 4.420) 6.277 12.463 ( -4.075 0.000 9.815) 10.627 12.582 ( -1.431 0.000 4.666) 4.881 12.602 ( -2.713 0.000 -7.510) 7.985 12.784 ( -0.379 0.000 3.998) 4.016 12.892 ( 3.509 -0.000 -7.478) 8.261 12.921 ( 1.262 -0.000 3.181) 3.422 13.128 ( -6.944 0.000 -4.550) 8.302 13.218 ( 13.012 -0.000 3.916) 13.589 13.375 ( 9.325 -0.000 -5.185) 10.670 13.517 ( 0.863 -0.000 -3.120) 3.237 13.555 ( 5.981 -0.000 -6.322) 8.703 13.928 ( 6.428 -0.000 -0.070) 6.428 14.009 ( 6.224 -0.000 3.085) 6.947 14.141 ( -0.615 0.000 4.000) 4.047 14.480 ( -10.999 0.000 -4.674) 11.951 14.566 ( 3.951 -0.000 7.632) 8.594 14.759 ( -1.512 0.000 1.133) 1.889 15.280 ( -10.877 0.000 8.533) 13.825 15.584 ( -9.283 0.000 -4.837) 10.468 ======================= Grid point 145 (49/84) ======================= q-point: ( 0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.007 ( 27.032 -13.386 35.671) 46.716 3.173 ( 32.576 -13.371 33.519) 48.616 4.593 ( 13.962 -4.894 -34.190) 37.253 4.704 ( 15.919 -10.772 -36.238) 41.020 4.787 ( 36.915 -18.593 55.196) 68.957 5.757 ( -2.748 12.499 12.501) 17.890 6.238 ( 2.209 8.467 9.813) 13.148 6.518 ( -0.276 3.230 -0.555) 3.289 6.596 ( 0.836 3.248 1.102) 3.531 6.694 ( -15.475 -1.528 -6.161) 16.726 6.778 ( -6.646 2.504 6.173) 9.410 6.833 ( -15.465 -3.511 0.198) 15.860 6.979 ( -1.382 2.156 2.598) 3.648 7.121 ( 1.077 4.730 3.852) 6.194 7.320 ( 6.842 1.714 -2.484) 7.478 7.406 ( -1.734 -5.917 -8.810) 10.753 7.464 ( -4.639 -1.052 -3.570) 5.947 7.563 ( 12.516 -4.665 -23.379) 26.926 7.741 ( 22.277 -1.131 -7.293) 23.468 7.991 ( 11.105 -0.430 -5.538) 12.417 8.108 ( -4.256 0.197 11.482) 12.247 8.208 ( -5.559 1.032 8.576) 10.272 8.440 ( 2.614 -7.414 7.517) 10.876 8.632 ( -0.883 -1.324 -5.995) 6.203 8.698 ( -12.617 2.643 1.693) 13.001 8.804 ( -14.427 1.568 -4.854) 15.302 9.033 ( 1.591 -1.785 -1.826) 3.009 9.224 ( -14.784 -0.681 -1.345) 14.860 9.245 ( -8.686 2.127 -1.323) 9.040 9.334 ( -7.513 1.258 5.585) 9.446 9.363 ( -10.068 -0.282 5.421) 11.439 9.429 ( -2.173 8.613 -2.826) 9.322 9.498 ( 1.999 4.078 -2.879) 5.377 9.580 ( -8.135 2.838 2.974) 9.115 9.751 ( -3.370 -1.097 0.725) 3.618 9.793 ( -2.655 -6.466 -8.274) 10.831 9.914 ( -4.094 4.220 -0.788) 5.932 9.927 ( -6.653 -0.210 -1.383) 6.799 10.123 ( -2.990 -2.915 -6.603) 7.812 10.172 ( -14.150 -5.630 -4.959) 16.016 10.428 ( -0.250 2.879 0.171) 2.895 10.540 ( 1.438 -2.027 -5.870) 6.374 10.971 ( 4.469 9.280 1.096) 10.358 11.130 ( 1.627 4.901 -2.338) 5.669 11.279 ( 0.463 2.037 2.998) 3.654 11.365 ( 0.210 2.560 2.997) 3.947 11.451 ( 4.619 5.220 -1.011) 7.043 11.546 ( -0.777 -3.594 2.194) 4.282 11.916 ( -0.942 16.087 2.543) 16.314 11.982 ( 5.270 9.585 -0.921) 10.977 12.156 ( 1.741 5.625 5.825) 8.282 12.187 ( 14.344 0.578 2.752) 14.617 12.309 ( 12.445 -4.322 1.082) 13.219 12.420 ( -0.536 -4.045 2.838) 4.970 12.554 ( -3.488 4.118 1.123) 5.512 12.593 ( 1.135 -3.125 -11.250) 11.731 12.713 ( -5.757 -0.307 5.622) 8.052 12.864 ( -1.366 3.275 -4.858) 6.016 12.981 ( -3.848 -4.747 2.726) 6.691 13.105 ( -6.024 -6.210 -3.599) 9.371 13.324 ( -0.782 -1.071 -4.218) 4.421 13.438 ( 5.455 -0.799 -1.451) 5.701 13.630 ( 2.756 -2.826 -3.151) 5.051 13.677 ( 8.228 -5.991 -1.805) 10.337 13.999 ( -0.320 0.349 6.357) 6.375 14.148 ( 17.623 -4.161 5.056) 18.800 14.191 ( -4.221 -3.933 0.393) 5.783 14.373 ( -6.456 -7.553 0.635) 9.957 14.661 ( 10.645 0.569 1.613) 10.782 14.809 ( 4.102 -1.451 -1.808) 4.712 15.104 ( -14.234 1.476 9.198) 17.012 15.426 ( -12.282 2.225 -5.193) 13.519 ======================= Grid point 146 (50/84) ======================= q-point: ( 0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.659 ( 29.011 -20.971 27.793) 45.320 3.859 ( 29.703 -20.802 28.163) 45.915 4.891 ( 11.306 -9.002 -22.725) 26.931 5.148 ( 18.612 -14.468 -28.708) 37.147 5.393 ( -2.117 17.531 14.513) 22.857 5.414 ( 7.155 2.118 21.918) 23.153 6.121 ( 10.682 -1.620 22.139) 24.635 6.219 ( -9.965 18.782 -12.964) 24.903 6.427 ( -12.825 14.350 -15.190) 24.518 6.591 ( -11.640 -6.470 2.259) 13.508 6.704 ( -17.032 -5.843 -0.022) 18.006 6.826 ( -2.275 -5.079 7.388) 9.250 6.865 ( -2.566 -5.919 6.326) 9.036 7.118 ( -4.232 -5.298 5.641) 8.820 7.331 ( 6.255 -0.263 3.575) 7.210 7.438 ( -4.192 -2.284 -1.710) 5.071 7.578 ( 1.364 -9.645 -8.388) 12.855 7.866 ( 8.984 -6.272 -15.970) 19.367 7.926 ( -1.884 1.196 3.718) 4.336 7.991 ( -2.479 5.324 1.173) 5.989 8.167 ( 17.532 -0.407 -2.638) 17.734 8.313 ( -8.768 -0.450 -0.536) 8.796 8.375 ( 11.199 4.450 -1.656) 12.163 8.505 ( -2.750 2.994 -4.448) 6.026 8.623 ( -3.031 6.272 -2.285) 7.331 8.686 ( -4.517 -0.550 -5.768) 7.346 8.820 ( -8.019 11.646 7.223) 15.878 9.048 ( -12.270 -3.177 5.951) 14.002 9.124 ( -4.730 0.505 -4.301) 6.413 9.206 ( -8.695 -3.877 3.700) 10.214 9.302 ( -4.191 2.306 5.448) 7.250 9.345 ( -4.458 0.284 -6.232) 7.668 9.462 ( 1.377 -3.088 5.125) 6.140 9.541 ( 2.976 1.793 3.891) 5.217 9.678 ( -4.556 0.110 -6.622) 8.039 9.812 ( -12.817 -4.810 1.488) 13.771 9.908 ( -3.931 -7.849 -7.813) 11.752 9.950 ( 4.593 -1.550 3.380) 5.909 10.041 ( -8.481 -4.531 2.949) 10.058 10.246 ( 10.097 1.171 1.222) 10.238 10.438 ( 9.647 4.244 4.437) 11.435 10.600 ( 0.787 -3.707 -12.748) 13.299 10.853 ( 4.774 10.229 -1.126) 11.345 11.070 ( 1.174 4.927 -8.322) 9.742 11.228 ( 2.383 8.706 6.195) 10.947 11.357 ( 3.865 -0.395 0.116) 3.887 11.413 ( 5.710 7.765 -4.981) 10.849 11.533 ( -0.979 7.032 4.976) 8.670 11.641 ( -1.029 10.607 -4.291) 11.488 11.824 ( -2.865 9.936 -4.273) 11.189 12.054 ( 0.204 4.513 2.648) 5.237 12.285 ( -3.405 7.043 -2.666) 8.264 12.347 ( 1.278 2.521 5.436) 6.127 12.477 ( 4.463 0.531 0.232) 4.500 12.594 ( -3.416 -6.897 6.310) 9.953 12.634 ( 7.843 -2.968 -0.282) 8.390 12.768 ( 3.638 -3.587 -3.194) 6.025 12.825 ( -3.380 -2.113 -1.642) 4.311 12.948 ( -3.065 0.765 1.110) 3.348 13.107 ( -6.644 -3.278 -1.843) 7.635 13.304 ( -2.432 -1.103 -5.354) 5.983 13.491 ( -2.215 -2.058 -1.843) 3.541 13.694 ( 2.048 -2.632 2.580) 4.216 13.891 ( 8.600 -4.604 -0.468) 9.766 14.033 ( -0.495 -6.100 3.747) 7.176 14.119 ( -12.432 -3.963 0.921) 13.080 14.468 ( 9.869 -8.086 3.800) 13.313 14.500 ( 4.245 -5.592 3.764) 7.966 14.814 ( 11.107 -0.033 -3.372) 11.607 14.864 ( 1.040 -1.050 -1.097) 1.841 14.906 ( -7.198 2.621 6.990) 10.370 15.219 ( -10.546 3.818 -4.689) 12.157 ======================= Grid point 147 (51/84) ======================= q-point: ( 0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.344 ( 18.727 -15.680 24.274) 34.435 4.537 ( 19.682 -14.474 22.837) 33.442 4.761 ( 1.248 14.014 15.575) 20.989 4.959 ( -12.227 31.881 19.546) 39.344 5.454 ( 12.725 -14.596 -19.833) 27.719 5.668 ( 15.133 -16.044 -23.626) 32.320 5.774 ( -13.117 17.604 -24.016) 32.538 5.847 ( -11.335 24.030 -19.405) 32.901 6.531 ( -16.997 -9.636 4.726) 20.102 6.588 ( -9.933 -12.518 3.731) 16.410 6.632 ( -4.566 -13.985 12.164) 19.089 6.891 ( -8.006 -9.645 3.614) 13.045 7.019 ( 5.446 -9.117 7.792) 13.172 7.138 ( -2.981 -7.254 4.881) 9.237 7.380 ( -0.741 3.947 -4.619) 6.121 7.498 ( -15.403 17.346 12.448) 26.327 7.521 ( 2.450 -4.933 5.243) 7.604 7.758 ( -1.348 -2.258 1.976) 3.289 7.796 ( -16.209 9.646 8.048) 20.507 7.945 ( -6.358 -3.251 -5.190) 8.827 8.113 ( -2.316 10.352 -1.867) 10.771 8.266 ( 15.357 -8.248 -11.301) 20.774 8.391 ( 1.549 11.789 -14.649) 18.867 8.529 ( -0.541 2.315 -4.363) 4.969 8.670 ( -0.019 -5.476 6.022) 8.140 8.712 ( 22.813 3.128 3.303) 23.262 8.801 ( 14.471 -1.651 -4.819) 15.341 9.071 ( -3.084 -0.418 1.565) 3.484 9.117 ( 3.362 -8.595 -2.033) 9.450 9.193 ( 0.722 0.864 4.274) 4.419 9.238 ( -2.373 -0.315 -3.254) 4.039 9.262 ( -9.495 -6.455 3.522) 12.010 9.529 ( 0.628 2.128 -2.739) 3.525 9.584 ( -0.751 3.213 2.366) 4.060 9.598 ( -0.600 -4.619 5.422) 7.147 9.779 ( -9.595 -7.460 -1.969) 12.312 9.899 ( -2.419 -0.169 -2.856) 3.747 10.017 ( -1.504 -0.942 -0.076) 1.776 10.093 ( -2.251 -9.026 8.537) 12.626 10.351 ( 13.021 4.245 6.202) 15.034 10.528 ( 15.810 3.960 3.134) 16.597 10.715 ( 1.876 -6.330 -7.957) 10.340 10.801 ( 5.131 3.681 -1.784) 6.562 11.023 ( -0.588 -0.190 -8.176) 8.199 11.053 ( 1.252 12.144 2.054) 12.380 11.277 ( 6.313 18.480 -1.778) 19.610 11.364 ( 1.920 6.335 -6.611) 9.355 11.479 ( 7.091 0.617 -6.021) 9.323 11.572 ( -1.252 0.272 -3.670) 3.887 11.655 ( -3.067 3.902 -4.983) 7.033 12.019 ( 0.422 0.480 -0.877) 1.086 12.070 ( -4.415 7.896 -3.543) 9.716 12.314 ( -8.038 0.174 8.542) 11.730 12.414 ( -8.660 0.362 2.894) 9.138 12.715 ( 6.637 0.169 3.325) 7.425 12.742 ( -1.698 -3.216 -0.990) 3.769 12.767 ( -7.648 -4.813 -0.750) 9.067 12.806 ( -0.322 0.300 -1.586) 1.646 12.946 ( -0.670 2.386 4.262) 4.931 13.131 ( 8.033 -2.545 -2.895) 8.910 13.319 ( 0.229 -0.960 -2.506) 2.694 13.472 ( -6.237 -4.002 -2.978) 7.986 13.745 ( 1.216 -0.462 5.635) 5.783 13.993 ( -7.372 0.280 1.315) 7.493 14.029 ( -1.499 -2.877 3.615) 4.857 14.170 ( 0.261 -8.781 -0.366) 8.793 14.423 ( -14.170 -0.346 3.846) 14.687 14.677 ( -9.433 -0.427 -5.508) 10.932 14.821 ( 5.375 -1.278 4.291) 6.996 14.858 ( 9.128 0.286 6.646) 11.295 15.044 ( 6.222 -1.436 -3.941) 7.504 15.121 ( 8.036 0.458 -3.673) 8.847 ======================= Grid point 148 (52/84) ======================= q-point: (-0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.951 ( -16.143 30.072 24.786) 42.181 4.157 ( -16.361 37.509 22.350) 46.628 5.041 ( 16.711 -6.589 7.882) 19.616 5.177 ( -17.206 17.801 -26.812) 36.494 5.239 ( 19.689 -13.467 17.637) 29.666 5.411 ( 1.114 10.507 -16.605) 19.681 5.923 ( 11.328 -15.540 -12.151) 22.748 6.165 ( 13.995 -14.716 -13.250) 24.248 6.428 ( -17.523 -3.881 4.636) 18.537 6.539 ( -13.084 -7.308 10.331) 18.202 6.725 ( -10.508 -2.194 9.645) 14.432 6.789 ( -9.677 22.895 19.874) 31.825 6.913 ( -10.425 -3.496 -1.266) 11.068 7.050 ( -13.257 -2.259 -2.056) 13.604 7.175 ( -15.437 2.980 1.815) 15.827 7.249 ( -7.152 0.976 -5.688) 9.190 7.449 ( -6.783 2.628 -5.061) 8.862 7.725 ( 7.596 -12.788 6.770) 16.342 7.990 ( 4.705 -6.500 2.559) 8.423 8.034 ( 8.229 3.100 0.633) 8.816 8.145 ( 9.414 -9.585 -2.041) 13.589 8.241 ( 0.299 12.639 -20.159) 23.795 8.359 ( 1.719 3.603 -9.540) 10.342 8.547 ( 8.516 -5.804 -3.290) 10.819 8.785 ( 0.953 -5.373 8.205) 9.854 8.907 ( 6.268 11.228 2.593) 13.118 8.924 ( 8.598 -5.041 0.227) 9.969 9.042 ( 0.019 -1.317 0.031) 1.318 9.189 ( 0.950 -1.879 3.621) 4.189 9.265 ( -3.968 -8.905 4.365) 10.682 9.310 ( -5.589 -11.441 2.785) 13.034 9.397 ( 9.722 -3.535 -4.003) 11.092 9.448 ( -3.478 1.708 -1.272) 4.078 9.540 ( 2.941 3.244 -1.736) 4.710 9.690 ( 9.481 1.411 8.042) 12.512 9.750 ( -14.655 -7.959 -4.245) 17.208 9.917 ( 5.834 0.895 -4.001) 7.131 9.989 ( 5.207 2.312 5.730) 8.080 10.256 ( -1.109 -11.923 4.679) 12.856 10.402 ( 11.786 11.885 7.784) 18.459 10.646 ( -0.401 -1.265 0.476) 1.410 10.737 ( 14.150 6.461 -4.526) 16.200 10.892 ( 7.646 -5.355 3.225) 9.876 10.977 ( 0.403 0.585 -5.312) 5.359 11.087 ( 4.121 12.747 -7.231) 15.224 11.164 ( 3.230 -13.028 -9.293) 16.325 11.304 ( 5.918 5.860 -3.254) 8.942 11.443 ( -2.020 4.750 -8.486) 9.932 11.549 ( 3.099 2.157 -0.490) 3.808 11.680 ( -1.069 -3.666 -3.206) 4.986 11.959 ( 0.505 2.096 0.113) 2.159 12.042 ( -0.307 -2.561 -3.996) 4.756 12.178 ( -7.645 2.082 7.023) 10.588 12.257 ( -11.917 1.344 1.486) 12.084 12.661 ( -13.922 -1.774 3.068) 14.366 12.688 ( -0.513 3.436 -1.928) 3.973 12.771 ( -2.623 1.142 -1.878) 3.422 12.870 ( 2.311 -2.317 -1.580) 3.634 12.945 ( 3.924 -2.517 4.044) 6.172 13.238 ( 2.031 3.511 -6.973) 8.067 13.314 ( -0.766 -2.549 4.706) 5.407 13.508 ( 1.724 -2.377 -0.978) 3.095 13.715 ( -7.150 0.310 7.491) 10.361 13.852 ( -8.871 -0.800 5.643) 10.544 14.036 ( -0.547 2.794 2.789) 3.985 14.191 ( -4.323 5.949 -1.780) 7.566 14.327 ( -6.421 -5.078 -0.528) 8.203 14.462 ( -13.284 -0.551 -4.312) 13.977 14.924 ( 6.654 -0.973 1.205) 6.832 14.955 ( 6.916 7.393 0.989) 10.172 15.119 ( 8.776 -2.998 4.361) 10.248 15.329 ( 9.583 -5.834 -4.380) 12.044 ======================= Grid point 149 (53/84) ======================= q-point: (-0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.247 ( -13.575 31.755 29.809) 45.620 3.371 ( -10.212 36.276 30.012) 48.176 4.629 ( -11.201 18.802 -31.320) 38.209 4.905 ( -3.671 17.157 -36.029) 40.074 5.397 ( 1.232 30.944 35.243) 46.916 5.692 ( 13.429 -6.595 17.530) 23.046 5.967 ( 3.576 -2.198 26.854) 27.180 6.292 ( -0.388 -4.863 5.857) 7.623 6.408 ( -8.668 -5.085 -0.464) 10.060 6.574 ( -5.844 -13.528 8.586) 17.056 6.656 ( 6.799 -11.258 -10.908) 17.086 6.746 ( -8.015 0.813 7.462) 10.981 6.827 ( -5.215 -12.748 -0.753) 13.794 7.011 ( -3.258 -1.771 -8.834) 9.581 7.074 ( -11.542 -0.803 -1.938) 11.731 7.103 ( -9.145 -12.264 -9.335) 17.921 7.417 ( 5.774 4.152 -14.618) 16.257 7.801 ( -2.024 18.381 -32.186) 37.120 7.838 ( 0.255 12.041 8.440) 14.707 8.024 ( -2.500 -6.399 0.824) 6.919 8.302 ( 11.600 0.822 -3.437) 12.126 8.375 ( 3.250 -5.388 -11.553) 13.156 8.510 ( 10.456 -0.215 5.632) 11.878 8.650 ( 0.755 -1.887 6.121) 6.449 8.755 ( 3.045 2.949 3.940) 5.788 8.904 ( -7.808 -6.640 5.024) 11.415 9.033 ( -0.029 -2.071 2.833) 3.509 9.141 ( 4.513 -9.579 0.155) 10.590 9.270 ( 2.849 -3.497 0.396) 4.528 9.292 ( -5.735 -4.521 3.032) 7.907 9.415 ( -0.015 1.387 -2.577) 2.927 9.431 ( 0.449 -2.293 10.916) 11.163 9.476 ( -2.827 -5.777 -2.185) 6.793 9.521 ( 1.749 2.055 -6.177) 6.740 9.699 ( -5.423 -7.483 -4.038) 10.085 9.789 ( 0.739 -2.551 3.966) 4.773 9.936 ( 2.489 6.163 4.515) 8.035 10.179 ( 16.020 0.275 -1.063) 16.058 10.256 ( 6.244 3.485 7.092) 10.071 10.473 ( 8.935 -1.600 -9.146) 12.885 10.693 ( 0.380 -3.789 -6.761) 7.759 10.858 ( 4.610 -3.422 1.723) 5.995 10.962 ( 3.446 2.757 -2.451) 5.048 11.012 ( 0.244 -1.145 2.687) 2.931 11.081 ( 3.072 -3.311 -2.859) 5.345 11.277 ( -1.936 1.221 -1.531) 2.754 11.375 ( -0.550 -7.858 -9.906) 12.656 11.449 ( -0.398 -10.172 -6.196) 11.917 11.623 ( 10.857 3.928 5.459) 12.771 11.677 ( 5.774 -0.838 4.514) 7.377 11.977 ( 1.222 1.330 2.564) 3.137 12.045 ( -1.744 0.980 -0.884) 2.187 12.083 ( -2.305 1.565 2.165) 3.528 12.197 ( -1.345 -8.510 -3.166) 9.179 12.441 ( -22.467 -0.449 4.594) 22.936 12.630 ( -0.443 3.372 -3.856) 5.142 12.692 ( -5.365 2.903 -3.721) 7.145 12.860 ( -2.506 2.693 -5.922) 6.971 13.061 ( 3.909 -3.924 1.584) 5.761 13.200 ( 0.202 1.225 3.570) 3.780 13.281 ( -4.484 1.912 1.655) 5.148 13.503 ( 0.357 5.497 -0.064) 5.509 13.647 ( -5.601 -4.228 6.927) 9.860 13.804 ( -0.010 3.045 4.218) 5.203 13.937 ( -3.341 3.299 -0.410) 4.713 14.042 ( 0.311 8.346 -2.593) 8.745 14.219 ( -8.008 0.551 2.724) 8.477 14.466 ( -2.223 -5.008 -4.434) 7.049 14.858 ( 3.378 11.215 2.785) 12.040 15.012 ( 6.226 0.874 -3.318) 7.108 15.279 ( 5.540 -3.915 6.506) 9.399 15.518 ( 4.872 -5.739 -4.034) 8.541 ======================= Grid point 150 (54/84) ======================= q-point: (-0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( 0.000 28.137 36.866) 46.377 2.773 ( 0.000 28.287 40.793) 49.641 4.291 ( 0.000 13.520 -36.514) 38.937 4.610 ( 0.000 25.640 0.017) 25.640 4.669 ( 0.000 33.608 18.605) 38.414 5.814 ( -0.000 -0.427 17.871) 17.876 6.172 ( -0.000 -4.137 15.815) 16.347 6.332 ( -0.000 -10.095 11.572) 15.356 6.484 ( -0.000 -6.236 -4.683) 7.798 6.610 ( -0.000 -0.503 13.043) 13.053 6.787 ( -0.000 -11.173 3.216) 11.627 6.896 ( -0.000 -3.565 -6.670) 7.562 6.931 ( -0.000 -4.157 -4.080) 5.825 7.028 ( -0.000 -6.689 -5.715) 8.798 7.134 ( -0.000 -12.655 -7.618) 14.771 7.268 ( -0.000 -11.857 -11.011) 16.181 7.417 ( 0.000 1.193 -16.186) 16.230 7.451 ( 0.000 16.437 -42.045) 45.144 7.637 ( 0.000 12.547 14.456) 19.141 8.119 ( -0.000 -4.535 7.667) 8.908 8.196 ( 0.000 12.117 -8.705) 14.920 8.444 ( 0.000 9.511 15.877) 18.508 8.538 ( -0.000 -4.926 -1.093) 5.046 8.721 ( 0.000 0.721 2.974) 3.060 8.817 ( -0.000 -6.845 -2.141) 7.172 8.903 ( -0.000 -4.435 6.522) 7.887 9.104 ( -0.000 -3.759 3.567) 5.182 9.230 ( -0.000 -1.708 8.356) 8.529 9.260 ( 0.000 6.714 -7.837) 10.320 9.335 ( 0.000 3.722 -12.013) 12.577 9.407 ( -0.000 -1.435 3.303) 3.601 9.453 ( -0.000 -7.806 -6.609) 10.228 9.545 ( -0.000 -4.067 -0.391) 4.086 9.622 ( -0.000 -12.127 5.649) 13.378 9.786 ( 0.000 1.620 2.991) 3.401 9.838 ( 0.000 4.195 6.333) 7.596 9.872 ( -0.000 -13.715 -7.828) 15.792 10.148 ( 0.000 7.481 -1.794) 7.693 10.445 ( -0.000 -5.227 -5.010) 7.240 10.560 ( -0.000 -1.457 -11.290) 11.383 10.737 ( -0.000 -1.402 -2.975) 3.289 10.905 ( -0.000 -2.568 3.015) 3.961 11.000 ( 0.000 6.390 -7.847) 10.120 11.050 ( -0.000 -2.203 1.564) 2.701 11.162 ( -0.000 -12.215 6.960) 14.058 11.231 ( -0.000 -4.409 8.205) 9.315 11.546 ( -0.000 -8.510 -7.852) 11.579 11.589 ( -0.000 -7.045 -6.003) 9.255 11.683 ( -0.000 -4.096 10.016) 10.821 11.824 ( 0.000 3.311 2.240) 3.998 11.880 ( 0.000 7.246 4.109) 8.330 11.976 ( 0.000 4.879 -0.238) 4.885 12.142 ( -0.000 -6.954 3.881) 7.964 12.218 ( -0.000 -2.967 7.060) 7.658 12.405 ( -0.000 -11.676 -4.156) 12.394 12.576 ( -0.000 -0.462 -8.492) 8.504 12.588 ( 0.000 2.295 -4.262) 4.840 12.795 ( 0.000 2.720 -4.629) 5.369 13.103 ( 0.000 4.561 7.876) 9.101 13.151 ( 0.000 1.522 -0.216) 1.538 13.236 ( 0.000 1.953 2.342) 3.049 13.394 ( 0.000 6.191 -1.670) 6.412 13.664 ( 0.000 10.748 -0.138) 10.749 13.702 ( -0.000 -4.199 5.300) 6.761 13.864 ( 0.000 6.250 -3.132) 6.991 13.962 ( 0.000 1.214 -5.533) 5.665 14.156 ( 0.000 1.138 7.484) 7.570 14.504 ( -0.000 -1.698 -5.870) 6.111 14.701 ( 0.000 9.964 7.573) 12.516 15.030 ( 0.000 2.739 -6.367) 6.931 15.373 ( -0.000 -3.041 7.251) 7.863 15.633 ( -0.000 -4.438 -4.054) 6.011 ======================= Grid point 153 (55/84) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.270 ( 31.025 -0.000 30.012) 43.166 3.484 ( 32.774 -0.000 31.643) 45.556 4.713 ( 11.981 -0.000 -32.542) 34.677 4.849 ( 20.340 -0.000 -30.542) 36.694 5.172 ( 41.608 -0.000 45.645) 61.763 5.917 ( 4.072 -0.000 10.620) 11.373 6.306 ( -3.670 0.000 7.330) 8.197 6.432 ( -15.493 0.000 -6.808) 16.922 6.455 ( -17.419 0.000 5.101) 18.151 6.543 ( -3.348 0.000 -1.069) 3.515 6.709 ( -11.553 0.000 3.893) 12.192 6.760 ( 2.470 -0.000 7.439) 7.838 6.986 ( -5.120 0.000 3.839) 6.399 7.074 ( -18.396 0.000 4.911) 19.040 7.201 ( -4.565 0.000 4.628) 6.501 7.266 ( -9.366 0.000 -15.293) 17.933 7.470 ( -2.846 0.000 -5.825) 6.483 7.759 ( 18.648 -0.000 -34.314) 39.054 7.973 ( -0.657 0.000 11.588) 11.607 7.980 ( 6.884 -0.000 8.885) 11.240 8.168 ( 2.283 -0.000 3.079) 3.833 8.291 ( 11.817 -0.000 -4.078) 12.501 8.401 ( 12.002 -0.000 6.677) 13.734 8.508 ( -9.563 0.000 0.090) 9.563 8.592 ( -5.755 0.000 1.101) 5.860 8.797 ( -4.293 0.000 -3.774) 5.716 8.949 ( -7.049 0.000 5.446) 8.908 9.020 ( -4.022 0.000 2.779) 4.889 9.105 ( -21.238 0.000 5.091) 21.839 9.242 ( -5.666 0.000 -13.540) 14.677 9.315 ( -2.776 0.000 0.112) 2.779 9.344 ( -14.400 0.000 -5.638) 15.464 9.445 ( -8.693 0.000 -10.411) 13.563 9.645 ( -0.105 0.000 -7.784) 7.785 9.653 ( 4.573 -0.000 1.957) 4.974 9.689 ( -0.534 0.000 2.557) 2.613 9.811 ( -6.514 0.000 -1.410) 6.665 9.883 ( -9.014 0.000 -3.061) 9.519 10.128 ( 5.485 -0.000 -3.532) 6.524 10.152 ( 5.785 -0.000 -9.502) 11.125 10.515 ( 8.421 -0.000 2.094) 8.677 10.554 ( 4.022 -0.000 5.181) 6.559 11.124 ( 3.982 -0.000 2.318) 4.608 11.220 ( 5.424 -0.000 -2.029) 5.791 11.263 ( -3.615 0.000 7.101) 7.968 11.407 ( 0.136 -0.000 1.729) 1.734 11.426 ( -3.500 0.000 6.137) 7.065 11.590 ( 5.664 -0.000 -3.258) 6.534 12.103 ( -2.632 0.000 2.411) 3.570 12.158 ( 3.502 -0.000 -0.578) 3.549 12.174 ( -0.851 0.000 4.677) 4.754 12.354 ( -3.265 0.000 1.807) 3.732 12.374 ( 9.429 -0.000 0.552) 9.446 12.411 ( 10.604 -0.000 1.618) 10.727 12.517 ( 0.255 -0.000 3.400) 3.409 12.535 ( -3.881 0.000 -8.727) 9.551 12.620 ( -6.081 0.000 5.888) 8.464 12.853 ( -4.132 0.000 -6.239) 7.483 12.966 ( -1.408 0.000 -4.055) 4.293 12.978 ( 1.971 -0.000 -1.948) 2.771 13.312 ( -8.725 0.000 -7.021) 11.199 13.328 ( -1.547 0.000 -6.611) 6.789 13.719 ( 0.208 -0.000 5.640) 5.644 13.730 ( 8.293 -0.000 -1.874) 8.502 13.959 ( 1.157 -0.000 0.857) 1.440 14.040 ( -11.916 0.000 2.982) 12.284 14.252 ( 3.705 -0.000 7.299) 8.185 14.413 ( 18.186 -0.000 0.170) 18.187 14.809 ( 5.556 -0.000 0.272) 5.562 14.859 ( 3.774 -0.000 -2.221) 4.379 14.953 ( -5.567 0.000 9.026) 10.605 15.281 ( -12.255 0.000 -5.171) 13.301 ======================= Grid point 154 (56/84) ======================= q-point: ( 0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.786 ( 32.561 -12.218 23.627) 42.045 3.982 ( 30.294 -10.461 27.234) 42.057 4.940 ( 15.293 -6.117 -23.896) 29.023 5.182 ( 18.936 -9.198 -25.884) 33.364 5.603 ( 8.176 8.030 16.306) 19.930 5.746 ( 9.941 16.795 18.988) 27.229 6.136 ( -20.813 -4.727 2.859) 21.534 6.260 ( -15.024 -3.952 7.842) 17.402 6.341 ( -6.631 8.103 -9.901) 14.411 6.418 ( -10.138 15.833 2.689) 18.992 6.572 ( -6.067 -7.291 2.490) 9.807 6.675 ( -5.329 -0.797 7.155) 8.957 6.814 ( -7.115 6.147 2.261) 9.671 6.881 ( -13.337 1.415 1.696) 13.519 7.192 ( -6.260 -15.989 7.590) 18.773 7.294 ( -11.167 -14.193 -12.638) 22.042 7.435 ( 2.877 1.275 -1.537) 3.502 7.933 ( -9.232 -2.289 2.541) 9.845 7.955 ( -0.839 6.809 -0.245) 6.865 8.020 ( -0.307 -2.117 -3.055) 3.729 8.140 ( 0.647 -4.779 1.783) 5.142 8.234 ( -2.021 -1.204 3.484) 4.204 8.421 ( -5.434 7.409 0.900) 9.232 8.676 ( 18.893 -2.392 -7.174) 20.350 8.731 ( 18.860 0.076 -5.796) 19.730 8.788 ( -7.263 -5.075 3.994) 9.719 8.815 ( -10.936 -6.103 4.597) 13.341 8.885 ( 3.330 6.651 -3.645) 8.283 9.022 ( -2.264 5.692 7.979) 10.059 9.127 ( -4.963 2.565 -4.897) 7.429 9.246 ( 0.532 -2.033 -7.983) 8.255 9.323 ( -0.050 0.596 2.195) 2.275 9.411 ( -5.656 -6.759 -5.702) 10.497 9.592 ( -4.380 3.607 -7.454) 9.368 9.661 ( 4.436 0.219 -3.678) 5.767 9.693 ( 4.077 2.537 -2.351) 5.347 9.761 ( -4.099 -1.543 -1.889) 4.770 9.910 ( 2.831 -4.733 -1.472) 5.708 10.038 ( -0.113 5.462 -0.044) 5.464 10.342 ( 3.893 -8.404 -12.142) 15.272 10.601 ( 3.728 1.904 8.920) 9.854 10.656 ( 17.177 2.651 4.680) 17.999 11.047 ( -0.658 8.278 1.827) 8.503 11.147 ( -4.131 7.241 -0.057) 8.337 11.313 ( 3.092 -3.945 4.469) 6.715 11.377 ( 1.816 1.942 3.583) 4.461 11.493 ( -2.428 -6.373 0.617) 6.848 11.616 ( 6.283 5.280 -4.387) 9.306 11.871 ( -2.943 15.292 3.398) 15.939 12.050 ( -1.320 16.636 -1.077) 16.723 12.122 ( 0.072 3.649 3.853) 5.307 12.296 ( -6.313 3.278 1.515) 7.273 12.361 ( -4.107 1.720 1.999) 4.881 12.449 ( -2.677 -3.890 5.027) 6.897 12.537 ( -0.822 3.248 -2.532) 4.199 12.607 ( 0.104 -9.031 -6.054) 10.873 12.707 ( 5.214 -3.869 -1.292) 6.620 12.782 ( -5.248 -0.735 -2.487) 5.854 12.975 ( 4.449 0.464 1.816) 4.828 13.039 ( 4.221 -1.529 -2.764) 5.272 13.216 ( -5.169 -3.209 -5.882) 8.462 13.379 ( -1.450 -3.773 -9.914) 10.706 13.691 ( -7.041 -5.704 7.209) 11.580 13.818 ( 0.769 -3.487 1.140) 3.748 13.916 ( -5.021 0.427 3.073) 5.902 14.036 ( 3.630 -1.161 -2.499) 4.558 14.306 ( -5.159 -5.691 5.250) 9.304 14.613 ( 6.167 -1.143 -3.272) 7.074 14.760 ( -4.787 -2.490 9.301) 10.753 14.870 ( 0.738 0.919 -0.816) 1.434 15.045 ( 12.294 1.545 -1.378) 12.467 15.167 ( -2.012 0.381 -2.826) 3.490 ======================= Grid point 155 (57/84) ======================= q-point: ( 0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.418 ( 27.032 -11.738 21.456) 36.454 4.557 ( 24.190 -16.004 20.452) 35.490 5.075 ( 4.565 17.690 8.259) 20.050 5.386 ( -6.422 33.306 16.366) 37.661 5.439 ( 11.124 -6.499 -12.472) 17.931 5.610 ( 15.240 -13.262 -21.154) 29.251 5.901 ( -14.789 16.312 -18.619) 28.835 6.020 ( -14.517 3.239 -7.084) 16.475 6.108 ( -22.122 -8.801 5.798) 24.505 6.256 ( -13.912 10.130 -6.890) 18.538 6.347 ( -8.916 -11.391 6.152) 15.720 6.624 ( -13.102 -4.455 -5.047) 14.731 6.806 ( -12.603 -13.179 5.765) 19.125 7.016 ( 11.297 -9.016 15.523) 21.210 7.272 ( -15.323 -3.549 -1.770) 15.827 7.457 ( 5.303 -11.510 7.893) 14.930 7.486 ( 3.203 -1.785 1.223) 3.865 7.708 ( -2.488 9.099 0.801) 9.466 7.858 ( 0.363 -4.600 3.650) 5.883 8.010 ( -5.801 7.507 7.462) 12.070 8.191 ( -2.075 2.788 -2.424) 4.237 8.328 ( 7.110 -2.167 -5.359) 9.163 8.402 ( -3.253 -8.683 1.047) 9.331 8.531 ( -0.807 6.927 -5.572) 8.927 8.736 ( 0.860 10.317 2.977) 10.772 8.818 ( -5.409 1.952 3.262) 6.612 8.846 ( -8.064 -9.013 5.307) 13.207 8.949 ( 5.227 -4.973 -0.171) 7.217 9.051 ( 6.953 -0.379 4.777) 8.444 9.145 ( -3.535 -2.487 -8.786) 9.792 9.259 ( 6.088 -2.041 -1.839) 6.679 9.375 ( 8.574 1.719 -7.122) 11.278 9.519 ( 2.952 -4.194 -0.988) 5.223 9.525 ( -0.104 0.045 -2.391) 2.394 9.668 ( 4.959 5.426 -2.010) 7.621 9.737 ( 9.369 4.477 -4.184) 11.195 9.799 ( 1.573 -6.239 -4.964) 8.127 9.965 ( -0.248 -4.970 6.053) 7.836 10.079 ( 7.704 -0.091 -2.241) 8.024 10.519 ( 1.531 -9.771 -14.443) 17.505 10.576 ( 4.394 5.208 9.027) 11.310 10.860 ( 18.648 1.563 3.826) 19.101 10.909 ( -3.366 8.569 4.038) 10.053 10.970 ( -8.000 -0.064 -4.483) 9.171 11.308 ( 4.074 11.895 2.735) 12.867 11.396 ( -3.740 -0.940 -3.464) 5.183 11.541 ( 0.204 -3.599 0.736) 3.679 11.593 ( 3.988 7.164 1.406) 8.318 11.677 ( 6.805 6.754 -3.818) 10.319 11.720 ( -4.795 17.058 -3.339) 18.031 12.060 ( 0.725 4.171 -0.178) 4.238 12.143 ( -3.270 6.087 -0.315) 6.917 12.243 ( -8.123 2.252 2.157) 8.701 12.342 ( -6.004 5.814 -0.707) 8.387 12.591 ( -3.986 -6.030 1.913) 7.477 12.641 ( -3.422 -1.482 0.160) 3.733 12.748 ( -5.736 -3.463 2.888) 7.296 12.799 ( 4.144 -0.415 -0.207) 4.170 13.007 ( 3.536 2.237 4.715) 6.304 13.165 ( 6.939 -3.294 -2.850) 8.193 13.261 ( -4.621 -8.137 -2.867) 9.787 13.411 ( 7.190 2.413 -11.537) 13.806 13.686 ( -12.528 -4.251 6.778) 14.865 13.823 ( -6.003 -3.871 3.520) 7.963 13.959 ( 2.434 -6.551 2.263) 7.346 14.040 ( -5.972 -2.823 2.148) 6.946 14.310 ( -1.396 -0.944 -2.784) 3.254 14.520 ( -15.950 1.948 -8.858) 18.348 14.804 ( 2.438 -5.003 9.929) 11.382 14.978 ( 10.091 -2.888 3.656) 11.114 15.127 ( 5.242 1.806 -1.876) 5.853 15.230 ( 8.590 -0.528 -3.149) 9.164 ======================= Grid point 156 (58/84) ======================= q-point: (-0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.298 ( -6.195 29.682 19.931) 36.286 4.643 ( -6.655 38.941 18.380) 43.572 5.157 ( 25.021 -10.756 11.034) 29.385 5.281 ( 16.449 -7.474 11.519) 21.427 5.350 ( -4.508 17.445 -16.318) 24.309 5.639 ( -3.415 12.162 -14.124) 18.949 5.824 ( 2.797 -7.009 -4.878) 8.985 6.022 ( -12.186 -13.504 2.420) 18.350 6.112 ( -9.967 -15.362 -2.273) 18.453 6.119 ( 6.687 -14.308 -10.651) 19.049 6.388 ( -14.317 -13.604 -3.402) 20.041 6.585 ( -13.296 -12.246 -7.141) 19.435 6.823 ( -8.607 -6.953 0.243) 11.067 7.008 ( -11.842 4.278 3.314) 13.020 7.225 ( 0.537 2.663 -0.949) 2.878 7.374 ( -3.643 33.789 23.368) 41.244 7.426 ( -0.993 3.049 -5.207) 6.115 7.739 ( 4.693 1.189 6.263) 7.916 7.898 ( 5.895 -10.791 8.415) 14.900 8.071 ( 8.255 -12.907 5.779) 16.374 8.174 ( 5.942 0.682 -0.394) 5.994 8.350 ( -5.581 -2.565 -4.204) 7.443 8.462 ( 0.676 4.137 -13.683) 14.311 8.606 ( 6.155 3.453 -2.671) 7.546 8.629 ( 0.397 -4.600 3.135) 5.581 8.807 ( -2.110 -10.995 -1.058) 11.245 8.929 ( -6.420 -11.836 7.459) 15.392 9.006 ( -6.808 -1.226 -2.195) 7.258 9.112 ( 2.487 -6.527 6.510) 9.548 9.174 ( 0.200 -0.605 -0.474) 0.795 9.258 ( 3.024 7.915 1.841) 8.671 9.368 ( -4.106 -1.297 3.782) 5.731 9.482 ( -5.805 0.372 -4.475) 7.339 9.607 ( 4.074 7.229 -10.885) 13.687 9.713 ( 10.167 4.113 -7.417) 13.240 9.776 ( 3.440 -1.523 3.386) 5.061 9.940 ( 1.610 -7.769 -3.162) 8.541 10.139 ( 15.059 -0.314 6.193) 16.286 10.190 ( 11.831 -1.585 4.390) 12.718 10.580 ( 0.696 -0.680 -2.135) 2.346 10.696 ( 5.580 0.813 1.996) 5.982 10.729 ( -9.799 -4.019 -4.493) 11.505 10.912 ( -3.031 -2.914 -0.838) 4.287 11.069 ( 8.053 -2.319 -3.266) 8.994 11.140 ( 3.603 10.899 -0.858) 11.512 11.268 ( -3.155 7.436 -7.236) 10.844 11.405 ( -5.737 10.740 -5.184) 13.234 11.463 ( -1.300 8.249 -3.889) 9.212 11.659 ( 0.422 -2.675 3.277) 4.251 11.753 ( 13.373 1.139 -3.682) 13.917 12.018 ( 2.091 2.439 -1.203) 3.430 12.073 ( 3.737 2.244 -0.936) 4.458 12.120 ( -6.435 0.958 3.414) 7.347 12.186 ( -4.024 4.888 0.353) 6.341 12.475 ( -12.483 2.599 3.720) 13.282 12.664 ( -1.876 -1.395 -3.245) 4.000 12.729 ( -3.948 -1.651 2.265) 4.842 12.862 ( 2.992 -1.254 1.713) 3.668 13.016 ( 3.713 1.703 6.008) 7.265 13.251 ( -3.064 -1.022 -5.172) 6.098 13.286 ( -0.077 -0.723 3.238) 3.318 13.533 ( 1.718 -1.592 -1.405) 2.731 13.545 ( -2.976 -3.034 3.461) 5.481 13.789 ( -5.462 0.722 0.589) 5.541 14.035 ( 0.070 -1.905 3.678) 4.142 14.123 ( -2.175 -9.802 -0.918) 10.082 14.278 ( -11.154 0.389 -4.676) 12.101 14.285 ( -1.431 4.086 -4.025) 5.911 14.937 ( 3.310 -5.336 5.569) 8.393 15.123 ( 4.768 3.548 2.574) 6.477 15.148 ( 3.701 -3.141 0.726) 4.908 15.351 ( 5.230 -3.098 -4.003) 7.278 ======================= Grid point 157 (59/84) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.711 ( 0.000 34.584 23.356) 41.732 3.939 ( 0.000 40.480 23.916) 47.017 4.889 ( 0.000 22.228 -27.986) 35.739 5.186 ( 0.000 18.662 -28.146) 33.771 5.660 ( -0.000 -10.773 19.650) 22.409 5.701 ( -0.000 -0.064 8.811) 8.811 5.844 ( -0.000 -12.582 20.886) 24.383 6.207 ( -0.000 -15.129 10.365) 18.340 6.273 ( -0.000 -11.650 -11.497) 16.368 6.463 ( -0.000 -18.443 -10.640) 21.292 6.557 ( -0.000 -14.824 -4.416) 15.467 6.572 ( 0.000 27.380 23.215) 35.897 6.778 ( 0.000 6.706 6.423) 9.286 6.788 ( -0.000 -2.291 1.677) 2.840 6.907 ( -0.000 -3.784 -1.345) 4.016 7.114 ( 0.000 7.368 -10.173) 12.561 7.457 ( -0.000 -2.619 -17.674) 17.867 7.847 ( -0.000 -8.330 4.311) 9.379 7.971 ( 0.000 4.135 14.622) 15.196 8.160 ( 0.000 19.566 -23.227) 30.370 8.261 ( -0.000 -3.658 -11.734) 12.291 8.390 ( -0.000 -15.483 5.191) 16.330 8.443 ( -0.000 -1.511 -4.405) 4.657 8.681 ( -0.000 -8.392 13.095) 15.553 8.709 ( -0.000 -2.641 -5.806) 6.378 8.953 ( 0.000 8.699 5.178) 10.123 9.009 ( 0.000 2.974 0.928) 3.116 9.055 ( 0.000 -8.312 1.864) 8.519 9.055 ( 0.000 -9.712 8.390) 12.834 9.205 ( -0.000 -3.856 -3.213) 5.019 9.305 ( -0.000 -10.645 7.271) 12.891 9.409 ( -0.000 -0.774 -3.718) 3.797 9.413 ( -0.000 -3.101 7.070) 7.720 9.546 ( 0.000 1.096 -11.413) 11.465 9.664 ( 0.000 7.716 -12.983) 15.103 9.805 ( 0.000 0.517 10.450) 10.463 10.053 ( -0.000 -0.753 -0.012) 0.753 10.254 ( -0.000 -1.625 11.619) 11.732 10.306 ( 0.000 0.967 0.649) 1.165 10.631 ( 0.000 1.862 -7.047) 7.288 10.678 ( -0.000 -10.707 8.662) 13.773 10.692 ( 0.000 6.961 -4.550) 8.316 10.974 ( -0.000 -3.148 0.549) 3.196 11.090 ( 0.000 4.755 -2.979) 5.611 11.135 ( -0.000 -1.884 -6.201) 6.481 11.182 ( -0.000 -0.688 -16.411) 16.425 11.277 ( -0.000 -5.148 -6.222) 8.076 11.323 ( 0.000 5.778 -7.182) 9.218 11.663 ( 0.000 0.728 10.095) 10.121 11.914 ( -0.000 -0.837 -1.724) 1.917 12.036 ( 0.000 2.030 3.682) 4.205 12.044 ( 0.000 0.092 0.902) 0.907 12.086 ( 0.000 1.284 1.828) 2.234 12.117 ( -0.000 -0.988 -3.822) 3.948 12.264 ( 0.000 5.838 7.484) 9.491 12.624 ( 0.000 2.735 -8.094) 8.543 12.722 ( 0.000 0.553 -0.293) 0.626 12.886 ( 0.000 0.792 -4.751) 4.817 13.044 ( -0.000 -2.084 5.950) 6.304 13.217 ( 0.000 2.780 9.946) 10.327 13.256 ( -0.000 -0.461 -3.880) 3.908 13.542 ( -0.000 -4.321 6.820) 8.073 13.613 ( 0.000 6.623 -4.524) 8.021 13.747 ( -0.000 -6.406 1.489) 6.577 14.019 ( 0.000 6.992 -0.183) 6.995 14.135 ( -0.000 -3.430 3.708) 5.051 14.188 ( 0.000 7.928 -2.913) 8.446 14.335 ( -0.000 -9.099 -2.811) 9.523 15.023 ( 0.000 0.521 0.579) 0.779 15.050 ( 0.000 4.915 0.167) 4.918 15.247 ( -0.000 -4.271 5.153) 6.692 15.456 ( -0.000 -5.443 -3.975) 6.740 ======================= Grid point 162 (60/84) ======================= q-point: ( 0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.104 ( 33.255 -0.000 18.362) 37.988 4.288 ( 29.364 -0.000 22.972) 37.282 5.095 ( 17.554 -0.000 -18.230) 25.308 5.355 ( 18.901 -0.000 -20.152) 27.629 5.717 ( -8.106 0.000 4.630) 9.335 5.736 ( -27.732 0.000 3.558) 27.959 6.016 ( -4.371 0.000 6.146) 7.541 6.094 ( -5.308 0.000 13.899) 14.879 6.220 ( -14.896 0.000 9.611) 17.728 6.403 ( -13.151 0.000 -2.855) 13.457 6.461 ( 0.503 -0.000 -6.779) 6.797 6.649 ( -7.069 0.000 7.904) 10.604 6.764 ( -9.491 0.000 6.949) 11.763 6.828 ( -12.873 0.000 -11.720) 17.409 6.980 ( -7.626 0.000 -3.537) 8.406 7.024 ( 11.730 -0.000 17.466) 21.039 7.388 ( -1.030 0.000 -13.816) 13.855 7.794 ( -8.596 0.000 7.844) 11.637 7.884 ( -6.393 0.000 7.786) 10.075 8.033 ( -4.198 0.000 11.204) 11.965 8.043 ( -3.359 0.000 9.533) 10.107 8.366 ( 15.567 -0.000 -20.290) 25.574 8.404 ( -13.427 0.000 6.244) 14.807 8.551 ( -9.031 0.000 11.170) 14.364 8.667 ( -2.016 0.000 2.658) 3.335 8.850 ( 10.068 -0.000 -9.626) 13.930 8.911 ( 5.434 -0.000 0.666) 5.474 9.009 ( 1.389 -0.000 -9.006) 9.113 9.113 ( -3.278 0.000 -6.350) 7.146 9.135 ( -3.530 0.000 -7.561) 8.345 9.172 ( 10.248 -0.000 -7.889) 12.932 9.354 ( -0.885 0.000 -14.879) 14.905 9.389 ( 5.217 -0.000 5.478) 7.565 9.625 ( -1.872 0.000 -1.729) 2.548 9.627 ( 11.639 -0.000 0.536) 11.652 9.754 ( 3.431 -0.000 1.386) 3.700 9.917 ( 5.275 -0.000 1.848) 5.590 9.930 ( 20.078 -0.000 -7.444) 21.414 10.093 ( -6.540 0.000 -6.851) 9.472 10.230 ( 0.670 -0.000 -11.902) 11.921 10.676 ( 4.760 -0.000 13.543) 14.355 10.893 ( 13.926 -0.000 0.348) 13.930 11.031 ( -13.179 0.000 1.385) 13.251 11.178 ( -2.206 0.000 13.160) 13.343 11.322 ( -4.293 0.000 11.749) 12.509 11.337 ( -0.941 0.000 -6.413) 6.482 11.447 ( 6.995 -0.000 -1.449) 7.144 11.723 ( 4.034 -0.000 -4.076) 5.735 11.918 ( -9.752 0.000 10.437) 14.284 12.117 ( -2.259 0.000 9.115) 9.390 12.189 ( -0.476 0.000 -0.774) 0.909 12.295 ( -7.333 0.000 2.352) 7.701 12.326 ( -2.180 0.000 -4.078) 4.624 12.402 ( -0.276 0.000 -0.202) 0.342 12.523 ( 2.794 -0.000 -0.443) 2.829 12.539 ( 0.415 -0.000 -1.926) 1.970 12.711 ( -5.191 0.000 -11.433) 12.557 12.756 ( 4.071 -0.000 -7.890) 8.879 13.014 ( 2.652 -0.000 4.848) 5.527 13.090 ( -6.200 0.000 -1.585) 6.399 13.128 ( 8.304 -0.000 -0.718) 8.335 13.385 ( 6.349 -0.000 -10.773) 12.505 13.492 ( -11.887 0.000 9.297) 15.091 13.739 ( -4.969 0.000 -1.976) 5.347 13.973 ( 4.896 -0.000 -0.157) 4.899 13.986 ( -10.810 0.000 4.753) 11.809 14.231 ( 2.679 -0.000 -1.695) 3.170 14.558 ( -12.527 0.000 -10.612) 16.418 14.700 ( -0.118 0.000 12.908) 12.909 14.930 ( 6.913 -0.000 0.709) 6.950 15.176 ( 3.230 -0.000 0.172) 3.234 15.212 ( 10.189 -0.000 -1.941) 10.372 ======================= Grid point 163 (61/84) ======================= q-point: ( 0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.623 ( 31.740 -10.178 14.655) 36.411 4.675 ( 21.539 -5.313 17.818) 28.454 5.340 ( 5.930 -1.022 2.104) 6.375 5.443 ( -20.752 -4.669 6.443) 22.224 5.543 ( -0.864 0.144 -6.776) 6.833 5.625 ( 4.585 -2.652 -8.044) 9.631 5.732 ( -2.088 6.862 0.374) 7.182 5.919 ( -13.780 5.754 6.540) 16.302 6.113 ( -8.765 17.635 0.928) 19.715 6.143 ( -6.648 15.745 -8.153) 18.936 6.281 ( -14.668 3.327 -5.914) 16.162 6.414 ( -7.309 -14.355 5.847) 17.137 6.617 ( -3.834 17.683 -13.822) 22.769 6.858 ( -9.775 -11.277 -10.417) 18.200 7.138 ( 6.764 -23.140 12.834) 27.312 7.292 ( 11.278 -4.556 21.712) 24.887 7.553 ( 6.566 -5.418 -1.004) 8.572 7.690 ( -5.871 -6.286 0.716) 8.631 7.855 ( -4.066 -2.057 6.821) 8.203 7.875 ( 0.624 6.503 3.121) 7.240 8.156 ( -2.911 -11.214 12.952) 17.377 8.191 ( -11.647 1.104 5.753) 13.037 8.487 ( 6.722 5.601 -6.509) 10.905 8.553 ( -5.539 -4.164 9.537) 11.788 8.654 ( 5.193 -0.185 -5.777) 7.770 8.839 ( -4.012 2.553 -7.306) 8.717 8.918 ( 0.726 5.710 4.367) 7.225 8.981 ( 0.071 5.466 -5.377) 7.668 9.071 ( 2.012 -0.087 -5.246) 5.619 9.173 ( -2.365 -3.357 -7.804) 8.818 9.206 ( -0.088 7.387 -1.897) 7.627 9.331 ( 0.332 -3.492 -4.611) 5.793 9.463 ( -1.548 -12.219 -13.541) 18.305 9.619 ( 2.561 2.081 -0.660) 3.366 9.790 ( 2.640 2.095 -2.267) 4.062 9.865 ( 7.761 4.153 0.483) 8.816 9.940 ( 0.982 4.940 -2.589) 5.663 10.037 ( 24.215 -1.265 3.299) 24.472 10.218 ( 17.770 -0.256 -3.025) 18.028 10.336 ( -1.283 -9.983 -15.701) 18.650 10.713 ( 3.901 2.752 15.345) 16.070 10.781 ( -22.343 0.835 -0.277) 22.360 10.935 ( -5.693 3.952 -2.797) 7.473 11.099 ( 5.413 4.403 7.775) 10.447 11.354 ( 0.210 -6.126 7.886) 9.988 11.362 ( -1.653 -1.914 -3.298) 4.156 11.512 ( 3.891 2.411 -4.549) 6.453 11.735 ( -2.143 7.728 8.804) 11.909 11.764 ( 0.264 0.513 -4.611) 4.647 11.991 ( -0.156 13.657 2.260) 13.844 12.152 ( 0.060 4.418 0.763) 4.484 12.176 ( -4.802 2.272 -0.123) 5.314 12.237 ( 0.692 8.737 1.394) 8.874 12.393 ( 0.976 0.434 0.184) 1.084 12.525 ( -0.129 3.346 -1.808) 3.806 12.567 ( -7.800 -2.861 2.306) 8.622 12.666 ( 2.000 0.594 -6.579) 6.902 12.792 ( 1.158 -5.003 -4.916) 7.109 13.060 ( 0.249 0.485 6.216) 6.240 13.103 ( 0.076 -4.271 2.360) 4.880 13.233 ( 5.469 -2.690 0.087) 6.095 13.421 ( -11.023 -7.559 6.019) 14.659 13.492 ( 4.158 -4.080 -7.079) 9.168 13.692 ( 0.051 1.057 -4.177) 4.309 13.875 ( -7.770 -3.750 4.381) 9.676 14.005 ( 2.895 1.354 -2.126) 3.838 14.293 ( -0.046 -1.514 -6.096) 6.281 14.365 ( -11.194 1.599 -8.969) 14.433 14.746 ( 1.264 -4.270 13.062) 13.800 15.023 ( 4.308 -2.362 -0.144) 4.915 15.210 ( 3.302 1.251 1.464) 3.822 15.315 ( 5.227 -0.255 -2.504) 5.802 ======================= Grid point 164 (62/84) ======================= q-point: (-0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.692 ( 0.000 19.116 17.288) 25.774 5.127 ( 0.000 12.422 14.542) 19.125 5.272 ( -0.000 -19.922 11.517) 23.011 5.376 ( 0.000 2.315 10.652) 10.901 5.422 ( 0.000 16.603 7.534) 18.232 5.593 ( -0.000 -13.937 13.235) 19.220 5.642 ( 0.000 16.707 -15.671) 22.907 5.937 ( -0.000 -13.428 -11.071) 17.403 5.979 ( -0.000 -8.035 -9.815) 12.684 6.027 ( -0.000 -8.807 -11.478) 14.468 6.029 ( 0.000 12.653 -11.461) 17.072 6.360 ( 0.000 2.984 -16.092) 16.366 6.609 ( -0.000 -12.379 4.996) 13.349 6.926 ( -0.000 -4.502 -5.138) 6.831 7.311 ( 0.000 5.246 11.858) 12.967 7.512 ( 0.000 7.837 2.401) 8.197 7.561 ( -0.000 -16.015 12.246) 20.160 7.809 ( 0.000 4.287 -0.721) 4.347 7.880 ( -0.000 -2.953 6.226) 6.891 7.912 ( -0.000 -9.368 10.446) 14.032 8.168 ( -0.000 -5.460 9.074) 10.590 8.275 ( -0.000 -2.884 -1.690) 3.342 8.357 ( -0.000 -1.117 -3.033) 3.232 8.663 ( -0.000 -9.633 9.155) 13.289 8.699 ( 0.000 12.936 16.182) 20.717 8.739 ( 0.000 0.027 -6.257) 6.257 8.740 ( 0.000 1.956 -16.852) 16.965 8.984 ( -0.000 -4.983 4.279) 6.568 9.043 ( 0.000 8.872 -4.673) 10.028 9.175 ( -0.000 -8.471 -2.958) 8.973 9.189 ( -0.000 -2.191 0.484) 2.243 9.397 ( 0.000 0.065 -10.269) 10.269 9.533 ( 0.000 8.068 1.692) 8.244 9.685 ( -0.000 -12.026 -14.349) 18.722 9.768 ( 0.000 3.806 -4.020) 5.536 9.839 ( -0.000 -1.509 6.571) 6.742 9.876 ( 0.000 7.503 -4.948) 8.988 10.306 ( 0.000 3.535 3.253) 4.804 10.394 ( 0.000 0.538 -0.179) 0.567 10.467 ( -0.000 -1.777 5.549) 5.827 10.493 ( -0.000 -9.353 -15.170) 17.822 10.769 ( -0.000 -0.602 9.761) 9.780 10.805 ( -0.000 -0.267 -5.324) 5.330 11.091 ( 0.000 1.543 0.984) 1.830 11.313 ( 0.000 6.159 -1.898) 6.445 11.412 ( 0.000 4.822 -2.244) 5.319 11.534 ( 0.000 14.309 -1.608) 14.399 11.555 ( -0.000 -8.407 4.440) 9.507 11.713 ( 0.000 17.982 -0.923) 18.005 11.793 ( -0.000 -2.278 -7.221) 7.572 12.098 ( 0.000 3.292 -1.073) 3.463 12.106 ( 0.000 2.091 2.240) 3.065 12.127 ( 0.000 4.221 2.098) 4.714 12.300 ( 0.000 9.285 -7.024) 11.642 12.458 ( 0.000 4.199 5.501) 6.921 12.602 ( -0.000 -6.482 9.184) 11.241 12.679 ( 0.000 0.034 -3.978) 3.978 12.866 ( -0.000 -1.782 0.800) 1.953 13.054 ( -0.000 -0.123 6.229) 6.231 13.177 ( -0.000 -4.583 -0.118) 4.585 13.297 ( 0.000 1.728 6.312) 6.544 13.390 ( -0.000 -4.623 1.305) 4.804 13.657 ( 0.000 2.733 -6.492) 7.043 13.682 ( -0.000 -8.584 -6.526) 10.783 13.909 ( -0.000 -6.252 4.330) 7.605 14.050 ( -0.000 -4.634 -3.682) 5.919 14.187 ( 0.000 3.745 -3.877) 5.390 14.340 ( 0.000 0.997 -5.871) 5.955 14.852 ( -0.000 -6.849 10.132) 12.229 15.106 ( -0.000 -4.085 0.683) 4.142 15.205 ( 0.000 2.405 1.222) 2.698 15.355 ( -0.000 -0.851 -3.253) 3.362 ======================= Grid point 172 (63/84) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.819 ( 0.000 -0.000 14.270) 14.270 4.869 ( -0.000 0.000 8.642) 8.642 5.030 ( 0.000 -0.000 11.339) 11.339 5.342 ( -0.000 0.000 10.426) 10.426 5.569 ( 0.000 -0.000 -9.626) 9.626 5.708 ( 0.000 -0.000 -1.207) 1.207 5.731 ( 0.000 -0.000 -12.906) 12.906 5.991 ( 0.000 -0.000 9.216) 9.216 6.012 ( 0.000 -0.000 6.050) 6.050 6.091 ( -0.000 0.000 -5.755) 5.755 6.456 ( 0.000 -0.000 -12.574) 12.574 6.579 ( 0.000 -0.000 -14.347) 14.347 6.585 ( 0.000 -0.000 2.886) 2.886 6.636 ( 0.000 -0.000 8.973) 8.973 6.893 ( 0.000 -0.000 -1.949) 1.949 7.393 ( -0.000 0.000 28.052) 28.052 7.400 ( 0.000 -0.000 -15.583) 15.583 7.674 ( 0.000 -0.000 4.639) 4.639 7.879 ( 0.000 -0.000 12.311) 12.311 7.984 ( 0.000 -0.000 14.707) 14.707 7.990 ( 0.000 -0.000 10.487) 10.487 8.043 ( -0.000 0.000 3.677) 3.677 8.441 ( 0.000 -0.000 10.900) 10.900 8.643 ( 0.000 -0.000 -5.097) 5.097 8.740 ( -0.000 0.000 -3.383) 3.383 8.775 ( 0.000 -0.000 -13.798) 13.798 8.954 ( 0.000 -0.000 9.335) 9.335 9.015 ( 0.000 -0.000 -14.542) 14.542 9.151 ( 0.000 -0.000 -12.323) 12.323 9.181 ( 0.000 -0.000 -13.120) 13.120 9.226 ( 0.000 -0.000 -14.685) 14.685 9.250 ( -0.000 0.000 -3.741) 3.741 9.359 ( 0.000 -0.000 8.866) 8.866 9.652 ( 0.000 -0.000 2.277) 2.277 9.840 ( 0.000 -0.000 -6.011) 6.011 9.924 ( -0.000 0.000 -6.184) 6.184 9.965 ( 0.000 -0.000 0.212) 0.212 10.219 ( 0.000 -0.000 -11.635) 11.635 10.384 ( 0.000 -0.000 -0.710) 0.710 10.405 ( 0.000 -0.000 -2.501) 2.501 10.463 ( -0.000 0.000 5.430) 5.430 10.749 ( 0.000 -0.000 17.971) 17.971 10.924 ( 0.000 -0.000 -13.409) 13.409 11.147 ( 0.000 -0.000 12.716) 12.716 11.258 ( 0.000 -0.000 15.008) 15.008 11.390 ( 0.000 -0.000 -10.075) 10.075 11.564 ( 0.000 -0.000 -3.586) 3.586 11.752 ( 0.000 -0.000 -5.345) 5.345 11.776 ( 0.000 -0.000 12.756) 12.756 12.106 ( 0.000 -0.000 2.020) 2.020 12.162 ( 0.000 -0.000 6.341) 6.341 12.195 ( 0.000 -0.000 0.188) 0.188 12.370 ( 0.000 -0.000 0.346) 0.346 12.399 ( 0.000 -0.000 0.600) 0.600 12.448 ( -0.000 0.000 1.844) 1.844 12.645 ( -0.000 0.000 -5.825) 5.825 12.674 ( 0.000 -0.000 -13.998) 13.998 12.714 ( 0.000 -0.000 -9.378) 9.378 13.062 ( 0.000 -0.000 9.931) 9.931 13.086 ( 0.000 -0.000 8.493) 8.493 13.164 ( -0.000 0.000 7.644) 7.644 13.310 ( 0.000 -0.000 1.132) 1.132 13.484 ( 0.000 -0.000 -3.363) 3.363 13.742 ( 0.000 -0.000 -10.774) 10.774 13.774 ( -0.000 0.000 5.158) 5.158 14.031 ( 0.000 -0.000 -7.629) 7.629 14.285 ( -0.000 0.000 -7.105) 7.105 14.295 ( 0.000 -0.000 -5.577) 5.577 14.718 ( 0.000 -0.000 14.179) 14.179 15.029 ( 0.000 -0.000 -1.284) 1.284 15.243 ( 0.000 -0.000 2.453) 2.453 15.347 ( 0.000 -0.000 -2.289) 2.289 ======================= Grid point 201 (64/84) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( 0.000 0.000 -45.120) 45.120 3.135 ( 0.000 0.000 45.120) 45.120 3.388 ( 0.000 0.000 -49.337) 49.337 3.388 ( 0.000 0.000 49.337) 49.337 5.414 ( 0.000 0.000 -71.377) 71.377 5.414 ( 0.000 0.000 71.377) 71.377 6.133 ( 0.000 0.000 -11.542) 11.542 6.133 ( 0.000 0.000 11.542) 11.542 6.775 ( 0.000 0.000 -5.977) 5.977 6.775 ( 0.000 0.000 5.977) 5.977 6.837 ( 0.000 0.000 -3.625) 3.625 6.837 ( 0.000 0.000 3.625) 3.625 7.129 ( 0.000 0.000 -10.849) 10.849 7.129 ( 0.000 0.000 10.849) 10.849 7.175 ( 0.000 0.000 -8.455) 8.455 7.175 ( 0.000 0.000 8.455) 8.455 7.253 ( 0.000 0.000 -6.032) 6.032 7.253 ( 0.000 0.000 6.032) 6.032 7.776 ( 0.000 0.000 -13.193) 13.193 7.776 ( 0.000 0.000 13.193) 13.193 8.543 ( 0.000 0.000 -12.641) 12.641 8.543 ( 0.000 0.000 12.641) 12.641 8.747 ( 0.000 0.000 -7.384) 7.384 8.747 ( 0.000 0.000 7.384) 7.384 8.760 ( 0.000 0.000 -22.653) 22.653 8.760 ( 0.000 0.000 22.653) 22.653 9.000 ( 0.000 0.000 -0.975) 0.975 9.000 ( 0.000 0.000 0.975) 0.975 9.401 ( 0.000 0.000 -10.460) 10.460 9.401 ( 0.000 0.000 10.460) 10.460 9.408 ( 0.000 0.000 -4.886) 4.886 9.408 ( 0.000 0.000 4.886) 4.886 9.566 ( 0.000 0.000 -3.260) 3.260 9.566 ( 0.000 0.000 3.260) 3.260 9.891 ( 0.000 0.000 -5.935) 5.935 9.891 ( 0.000 0.000 5.935) 5.935 10.051 ( 0.000 0.000 -2.916) 2.916 10.051 ( 0.000 0.000 2.916) 2.916 10.486 ( 0.000 0.000 -5.628) 5.628 10.486 ( 0.000 0.000 5.628) 5.628 10.799 ( 0.000 0.000 -0.985) 0.985 10.799 ( 0.000 0.000 0.985) 0.985 11.067 ( 0.000 0.000 -2.765) 2.765 11.067 ( 0.000 0.000 2.765) 2.765 11.496 ( 0.000 0.000 -9.717) 9.717 11.496 ( 0.000 0.000 9.717) 9.717 11.665 ( 0.000 0.000 -1.777) 1.777 11.665 ( 0.000 0.000 1.777) 1.777 11.753 ( 0.000 0.000 -6.957) 6.957 11.753 ( 0.000 0.000 6.957) 6.957 11.790 ( 0.000 0.000 -3.069) 3.069 11.790 ( 0.000 0.000 3.069) 3.069 12.456 ( 0.000 0.000 -7.045) 7.045 12.456 ( 0.000 0.000 7.045) 7.045 12.524 ( 0.000 0.000 -7.784) 7.784 12.524 ( 0.000 0.000 7.784) 7.784 12.759 ( 0.000 0.000 -4.299) 4.299 12.759 ( 0.000 0.000 4.299) 4.299 13.109 ( 0.000 0.000 -5.631) 5.631 13.109 ( 0.000 0.000 5.631) 5.631 13.158 ( 0.000 0.000 -7.780) 7.780 13.158 ( 0.000 0.000 7.780) 7.780 13.389 ( 0.000 0.000 -0.020) 0.020 13.389 ( 0.000 0.000 0.020) 0.020 13.857 ( 0.000 0.000 -0.503) 0.503 13.857 ( 0.000 0.000 0.503) 0.503 14.335 ( 0.000 0.000 -9.739) 9.739 14.335 ( 0.000 0.000 9.739) 9.739 14.788 ( 0.000 0.000 -8.676) 8.676 14.788 ( 0.000 0.000 8.676) 8.676 15.587 ( 0.000 0.000 -6.828) 6.828 15.587 ( 0.000 0.000 6.828) 6.828 ======================= Grid point 203 (65/84) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.323 ( 14.763 -10.628 -41.749) 45.539 3.323 ( 14.763 -10.628 41.749) 45.539 3.509 ( 6.683 -9.781 -46.833) 48.308 3.509 ( 6.683 -9.781 46.833) 48.308 5.605 ( 7.529 -15.535 -64.498) 66.768 5.605 ( 7.529 -15.535 64.498) 66.768 6.150 ( -0.537 -1.264 -12.649) 12.723 6.150 ( -0.537 -1.264 12.649) 12.723 6.730 ( 0.239 4.515 -8.081) 9.260 6.730 ( 0.239 4.515 8.081) 9.260 6.897 ( 7.740 1.213 -3.569) 8.610 6.897 ( 7.740 1.213 3.569) 8.610 7.059 ( -2.683 4.728 -3.605) 6.523 7.059 ( -2.683 4.728 3.605) 6.523 7.142 ( -3.571 5.514 -2.053) 6.883 7.142 ( -3.571 5.514 2.053) 6.883 7.198 ( 5.018 3.884 -4.115) 7.563 7.198 ( 5.018 3.884 4.115) 7.563 7.806 ( -1.168 -4.237 -12.076) 12.851 7.806 ( -1.168 -4.237 12.076) 12.851 8.482 ( -2.372 5.724 -10.289) 12.011 8.482 ( -2.372 5.724 10.289) 12.011 8.651 ( -9.178 0.198 -9.074) 12.908 8.651 ( -9.178 0.198 9.074) 12.908 8.855 ( 3.950 -4.562 -11.742) 13.202 8.855 ( 3.950 -4.562 11.742) 13.202 9.009 ( -3.584 -4.351 -0.588) 5.667 9.009 ( -3.584 -4.351 0.588) 5.667 9.365 ( 1.235 4.509 -5.097) 6.916 9.365 ( 1.235 4.509 5.097) 6.916 9.507 ( 11.560 0.362 -3.152) 11.987 9.507 ( 11.560 0.362 3.152) 11.987 9.599 ( -0.503 -3.913 -5.845) 7.052 9.599 ( -0.503 -3.913 5.845) 7.052 9.836 ( -8.510 0.279 -4.503) 9.632 9.836 ( -8.510 0.279 4.503) 9.632 10.013 ( 2.325 5.421 -3.704) 6.965 10.013 ( 2.325 5.421 3.704) 6.965 10.313 ( -17.726 2.765 -6.718) 19.157 10.313 ( -17.726 2.765 6.718) 19.157 10.715 ( -9.755 -1.316 -1.063) 9.901 10.715 ( -9.755 -1.316 1.063) 9.901 11.142 ( 6.808 4.572 -0.955) 8.256 11.142 ( 6.808 4.572 0.955) 8.256 11.397 ( -18.883 4.000 -6.120) 20.249 11.397 ( -18.883 4.000 6.120) 20.249 11.516 ( 1.120 2.053 -6.114) 6.546 11.516 ( 1.120 2.053 6.114) 6.546 11.757 ( 8.598 -0.672 -5.066) 10.002 11.757 ( 8.598 -0.672 5.066) 10.002 11.946 ( 5.569 0.528 -3.798) 6.762 11.946 ( 5.569 0.528 3.798) 6.762 12.410 ( -1.894 3.868 -7.774) 8.887 12.410 ( -1.894 3.868 7.774) 8.887 12.572 ( 5.640 6.570 -5.688) 10.360 12.572 ( 5.640 6.570 5.688) 10.360 12.673 ( 7.432 4.640 -7.543) 11.561 12.673 ( 7.432 4.640 7.543) 11.561 13.119 ( -3.250 -3.263 -4.314) 6.310 13.119 ( -3.250 -3.263 4.314) 6.310 13.246 ( 5.965 -5.525 -5.150) 9.624 13.246 ( 5.965 -5.525 5.150) 9.624 13.531 ( 0.443 -12.029 -5.909) 13.410 13.531 ( 0.443 -12.029 5.909) 13.410 13.876 ( 4.412 0.100 -3.207) 5.456 13.876 ( 4.412 0.100 3.207) 5.456 14.349 ( 0.887 -0.843 -9.551) 9.630 14.349 ( 0.887 -0.843 9.551) 9.630 14.778 ( -4.436 -2.630 -7.969) 9.492 14.778 ( -4.436 -2.630 7.969) 9.492 15.536 ( -5.308 2.032 -6.776) 8.844 15.536 ( -5.308 2.032 6.776) 8.844 ======================= Grid point 205 (66/84) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.810 ( 20.892 -19.254 -34.473) 44.672 3.810 ( 20.892 -19.254 34.473) 44.672 3.874 ( 15.233 -17.827 -40.812) 47.069 3.874 ( 15.233 -17.827 40.812) 47.069 5.885 ( -2.862 0.133 -20.584) 20.783 5.885 ( -2.862 0.133 20.584) 20.783 6.163 ( -1.686 -5.578 -15.555) 16.610 6.163 ( -1.686 -5.578 15.555) 16.610 6.648 ( 0.370 6.655 -26.283) 27.115 6.648 ( 0.370 6.655 26.283) 27.115 6.852 ( 2.668 -1.224 -6.739) 7.351 6.852 ( 2.668 -1.224 6.739) 7.351 7.002 ( -2.754 4.003 -1.059) 4.973 7.002 ( -2.754 4.003 1.059) 4.973 7.123 ( 10.001 0.847 -5.851) 11.618 7.123 ( 10.001 0.847 5.851) 11.618 7.271 ( 15.878 0.931 -7.715) 17.678 7.271 ( 15.878 0.931 7.715) 17.678 7.870 ( -2.807 -6.404 -8.867) 11.293 7.870 ( -2.807 -6.404 8.867) 11.293 8.301 ( -6.791 8.585 -7.115) 13.055 8.301 ( -6.791 8.585 7.115) 13.055 8.544 ( -6.614 1.081 -10.525) 12.477 8.544 ( -6.614 1.081 10.525) 12.477 8.917 ( -5.418 -0.731 -8.062) 9.741 8.917 ( -5.418 -0.731 8.062) 9.741 9.050 ( -3.016 -5.033 -2.704) 6.461 9.050 ( -3.016 -5.033 2.704) 6.461 9.269 ( 1.557 8.347 -3.479) 9.176 9.269 ( 1.557 8.347 3.479) 9.176 9.575 ( -0.586 5.312 -5.121) 7.402 9.575 ( -0.586 5.312 5.121) 7.402 9.660 ( -4.860 -4.470 -9.210) 11.333 9.660 ( -4.860 -4.470 9.210) 11.333 9.768 ( 3.854 -0.231 -7.962) 8.849 9.768 ( 3.854 -0.231 7.962) 8.849 9.883 ( -7.847 0.554 -7.738) 11.035 9.883 ( -7.847 0.554 7.738) 11.035 10.167 ( -2.067 -2.189 -10.974) 11.380 10.167 ( -2.067 -2.189 10.974) 11.380 10.606 ( -14.335 -4.212 -2.189) 15.100 10.606 ( -14.335 -4.212 2.189) 15.100 10.983 ( -11.265 6.783 -5.033) 14.080 10.983 ( -11.265 6.783 5.033) 14.080 11.226 ( -0.779 2.867 -3.750) 4.784 11.226 ( -0.779 2.867 3.750) 4.784 11.441 ( 1.572 9.958 -8.582) 13.240 11.441 ( 1.572 9.958 8.582) 13.240 11.778 ( 1.851 8.348 -3.513) 9.245 11.778 ( 1.851 8.348 3.513) 9.245 12.059 ( 10.054 0.268 -3.485) 10.644 12.059 ( 10.054 0.268 3.485) 10.644 12.262 ( 2.417 6.454 -5.257) 8.667 12.262 ( 2.417 6.454 5.257) 8.667 12.573 ( -0.494 -3.930 -5.032) 6.404 12.573 ( -0.494 -3.930 5.032) 6.404 12.779 ( 8.796 0.272 -5.428) 10.340 12.779 ( 8.796 0.272 5.428) 10.340 13.098 ( -4.522 0.310 -3.269) 5.588 13.098 ( -4.522 0.310 3.269) 5.588 13.424 ( 5.790 -4.637 -2.718) 7.900 13.424 ( 5.790 -4.637 2.718) 7.900 13.697 ( -2.651 -9.754 -3.953) 10.853 13.697 ( -2.651 -9.754 3.953) 10.853 14.000 ( 12.684 -1.662 -4.665) 13.616 14.000 ( 12.684 -1.662 4.665) 13.616 14.389 ( 2.053 -2.550 -7.428) 8.118 14.389 ( 2.053 -2.550 7.428) 8.118 14.773 ( -4.886 -4.191 -6.035) 8.824 14.773 ( -4.886 -4.191 6.035) 8.824 15.390 ( -9.903 3.838 -6.672) 12.542 15.390 ( -9.903 3.838 6.672) 12.542 ======================= Grid point 207 (67/84) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.389 ( 16.446 -22.957 -28.879) 40.392 4.389 ( 16.446 -22.957 28.879) 40.392 4.489 ( 25.218 -23.036 -27.572) 43.895 4.489 ( 25.218 -23.036 27.572) 43.895 5.569 ( -14.974 16.890 -12.592) 25.846 5.569 ( -14.974 16.890 12.592) 25.846 5.877 ( -16.748 22.315 -14.427) 31.410 5.877 ( -16.748 22.315 14.427) 31.410 6.807 ( 3.878 -10.298 -14.142) 17.919 6.807 ( 3.878 -10.298 14.142) 17.919 6.916 ( 1.802 -0.043 -4.315) 4.676 6.916 ( 1.802 -0.043 4.315) 4.676 7.099 ( 6.839 -6.742 -8.117) 12.574 7.099 ( 6.839 -6.742 8.117) 12.574 7.236 ( 12.179 -6.659 -15.538) 20.836 7.236 ( 12.179 -6.659 15.538) 20.836 7.567 ( 17.773 -6.736 -12.709) 22.864 7.567 ( 17.773 -6.736 12.709) 22.864 7.940 ( 2.947 -1.270 -2.139) 3.856 7.940 ( 2.947 -1.270 2.139) 3.856 8.072 ( -2.409 8.548 -1.752) 9.052 8.072 ( -2.409 8.548 1.752) 9.052 8.377 ( -13.540 5.393 -7.475) 16.380 8.377 ( -13.540 5.393 7.475) 16.380 8.701 ( -17.582 8.192 -8.145) 21.038 8.701 ( -17.582 8.192 8.145) 21.038 9.065 ( -4.124 -3.596 -6.251) 8.308 9.065 ( -4.124 -3.596 6.251) 8.308 9.192 ( 0.525 2.252 -1.488) 2.750 9.192 ( 0.525 2.252 1.488) 2.750 9.458 ( -1.784 6.064 -5.657) 8.483 9.458 ( -1.784 6.064 5.657) 8.483 9.511 ( -8.726 1.041 -8.330) 12.109 9.511 ( -8.726 1.041 8.330) 12.109 9.853 ( -0.878 -3.162 -4.395) 5.485 9.853 ( -0.878 -3.162 4.395) 5.485 9.987 ( 18.216 2.315 -4.664) 18.946 9.987 ( 18.216 2.315 4.664) 18.946 10.229 ( -8.860 -10.752 -10.409) 17.391 10.229 ( -8.860 -10.752 10.409) 17.391 10.523 ( -9.935 -7.508 -5.401) 13.573 10.523 ( -9.935 -7.508 5.401) 13.573 10.769 ( -4.884 5.284 -11.276) 13.376 10.769 ( -4.884 5.284 11.276) 13.376 11.197 ( -0.066 5.747 -0.636) 5.783 11.197 ( -0.066 5.747 0.636) 5.783 11.251 ( 2.375 10.892 -6.234) 12.773 11.251 ( 2.375 10.892 6.234) 12.773 11.633 ( -3.670 5.431 -6.842) 9.475 11.633 ( -3.670 5.431 6.842) 9.475 12.027 ( 1.026 5.274 -3.882) 6.629 12.027 ( 1.026 5.274 3.882) 6.629 12.402 ( 13.277 -2.474 -1.664) 13.608 12.402 ( 13.277 -2.474 1.664) 13.608 12.645 ( 0.541 -3.555 -4.173) 5.509 12.645 ( 0.541 -3.555 4.173) 5.509 12.849 ( 1.740 -0.343 -1.436) 2.282 12.849 ( 1.740 -0.343 1.436) 2.282 13.011 ( -5.479 1.059 -5.431) 7.787 13.011 ( -5.479 1.059 5.431) 7.787 13.506 ( 0.975 -0.604 -1.065) 1.565 13.506 ( 0.975 -0.604 1.065) 1.565 13.789 ( -0.977 -4.674 -2.056) 5.199 13.789 ( -0.977 -4.674 2.056) 5.199 14.184 ( 6.948 -2.814 -3.954) 8.475 14.184 ( 6.948 -2.814 3.954) 8.475 14.522 ( 12.452 -3.086 -5.999) 14.162 14.522 ( 12.452 -3.086 5.999) 14.162 14.781 ( -5.037 -4.258 -3.792) 7.608 14.781 ( -5.037 -4.258 3.792) 7.608 15.170 ( -12.328 5.111 -6.231) 14.728 15.170 ( -12.328 5.111 6.231) 14.728 ======================= Grid point 209 (68/84) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.878 ( -0.000 0.000 -0.000) 0.000 4.878 ( -0.000 0.000 0.000) 0.000 5.085 ( 0.000 -0.000 -0.000) 0.000 5.085 ( 0.000 -0.000 -0.000) 0.000 5.190 ( 0.000 -0.000 0.000) 0.000 5.190 ( -0.000 0.000 0.000) 0.000 5.279 ( 0.000 -0.000 -0.000) 0.000 5.279 ( 0.000 -0.000 0.000) 0.000 6.857 ( 0.000 -0.000 -0.000) 0.000 6.857 ( 0.000 -0.000 0.000) 0.000 6.983 ( -0.000 -0.000 0.000) 0.000 6.983 ( 0.000 -0.000 0.000) 0.000 7.188 ( 0.000 -0.000 -0.000) 0.000 7.188 ( 0.000 -0.000 0.000) 0.000 7.490 ( -0.000 -0.000 0.000) 0.000 7.490 ( 0.000 -0.000 0.000) 0.000 7.820 ( -0.000 0.000 -0.000) 0.000 7.820 ( 0.000 -0.000 0.000) 0.000 7.860 ( 0.000 -0.000 -0.000) 0.000 7.860 ( 0.000 -0.000 0.000) 0.000 8.140 ( 0.000 -0.000 0.000) 0.000 8.140 ( 0.000 0.000 0.000) 0.000 8.189 ( 0.000 -0.000 -0.000) 0.000 8.189 ( 0.000 -0.000 0.000) 0.000 8.347 ( -0.000 -0.000 -0.000) 0.000 8.347 ( -0.000 0.000 0.000) 0.000 9.068 ( 0.000 -0.000 0.000) 0.000 9.068 ( 0.000 -0.000 0.000) 0.000 9.204 ( 0.000 -0.000 -0.000) 0.000 9.204 ( 0.000 0.000 0.000) 0.000 9.367 ( -0.000 -0.000 -0.000) 0.000 9.367 ( -0.000 -0.000 0.000) 0.000 9.458 ( 0.000 -0.000 0.000) 0.000 9.458 ( 0.000 -0.000 0.000) 0.000 9.877 ( -0.000 -0.000 0.000) 0.000 9.877 ( 0.000 0.000 0.000) 0.000 10.103 ( -0.000 -0.000 0.000) 0.000 10.103 ( 0.000 0.000 -0.000) 0.000 10.232 ( -0.000 -0.000 -0.000) 0.000 10.232 ( 0.000 0.000 0.000) 0.000 10.562 ( 0.000 -0.000 -0.000) 0.000 10.562 ( 0.000 0.000 0.000) 0.000 10.731 ( 0.000 0.000 -0.000) 0.000 10.731 ( 0.000 -0.000 0.000) 0.000 11.020 ( 0.000 -0.000 0.000) 0.000 11.020 ( 0.000 0.000 0.000) 0.000 11.243 ( 0.000 -0.000 0.000) 0.000 11.243 ( 0.000 -0.000 0.000) 0.000 11.560 ( -0.000 -0.000 -0.000) 0.000 11.560 ( -0.000 -0.000 0.000) 0.000 11.989 ( 0.000 -0.000 0.000) 0.000 11.989 ( 0.000 -0.000 0.000) 0.000 12.539 ( 0.000 -0.000 0.000) 0.000 12.539 ( 0.000 -0.000 0.000) 0.000 12.665 ( -0.000 -0.000 -0.000) 0.000 12.665 ( 0.000 -0.000 0.000) 0.000 12.853 ( -0.000 -0.000 0.000) 0.000 12.853 ( 0.000 -0.000 0.000) 0.000 12.965 ( 0.000 -0.000 -0.000) 0.000 12.965 ( 0.000 -0.000 0.000) 0.000 13.508 ( -0.000 -0.000 0.000) 0.000 13.508 ( 0.000 -0.000 0.000) 0.000 13.822 ( 0.000 -0.000 0.000) 0.000 13.822 ( 0.000 -0.000 0.000) 0.000 14.247 ( -0.000 -0.000 0.000) 0.000 14.247 ( -0.000 -0.000 0.000) 0.000 14.735 ( -0.000 -0.000 -0.000) 0.000 14.735 ( 0.000 0.000 0.000) 0.000 14.742 ( -0.000 -0.000 -0.000) 0.000 14.742 ( 0.000 0.000 0.000) 0.000 14.994 ( 0.000 -0.000 0.000) 0.000 14.994 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 221 (69/84) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.484 ( 21.438 -0.000 -28.952) 36.025 3.484 ( 21.438 -0.000 28.952) 36.025 3.556 ( 14.670 -0.000 -33.865) 36.906 3.556 ( 14.670 -0.000 33.865) 36.906 5.643 ( 17.210 -0.000 -63.821) 66.101 5.643 ( 17.210 -0.000 63.821) 66.101 6.153 ( 1.344 -0.000 -13.147) 13.215 6.153 ( 1.344 -0.000 13.147) 13.215 6.770 ( 0.216 -0.000 -1.864) 1.877 6.770 ( 0.216 -0.000 1.864) 1.877 6.945 ( -10.452 0.000 -2.948) 10.860 6.945 ( -10.452 0.000 2.948) 10.860 7.060 ( 5.279 -0.000 -5.668) 7.746 7.060 ( 5.279 -0.000 5.668) 7.746 7.178 ( -1.369 0.000 -1.623) 2.123 7.178 ( -1.369 0.000 1.623) 2.123 7.301 ( 11.467 -0.000 -15.065) 18.932 7.301 ( 11.467 -0.000 15.065) 18.932 7.762 ( -2.275 0.000 -9.496) 9.765 7.762 ( -2.275 0.000 9.496) 9.765 8.486 ( -2.967 0.000 -0.775) 3.066 8.486 ( -2.967 0.000 0.775) 3.066 8.543 ( -8.872 0.000 -2.696) 9.273 8.543 ( -8.872 0.000 2.696) 9.273 8.844 ( 1.343 -0.000 -2.179) 2.559 8.844 ( 1.343 -0.000 2.179) 2.559 8.917 ( -3.945 0.000 -4.977) 6.351 8.917 ( -3.945 0.000 4.977) 6.351 9.447 ( 3.540 -0.000 -1.859) 3.998 9.447 ( 3.540 -0.000 1.859) 3.998 9.504 ( -3.813 0.000 -6.387) 7.438 9.504 ( -3.813 0.000 6.387) 7.438 9.668 ( -8.055 0.000 -2.236) 8.360 9.668 ( -8.055 0.000 2.236) 8.360 9.744 ( 8.410 -0.000 -1.529) 8.548 9.744 ( 8.410 -0.000 1.529) 8.548 9.971 ( -17.432 0.000 -7.193) 18.858 9.971 ( -17.432 0.000 7.193) 18.858 10.142 ( -8.964 0.000 -7.197) 11.495 10.142 ( -8.964 0.000 7.197) 11.495 10.551 ( -11.933 0.000 -1.605) 12.040 10.551 ( -11.933 0.000 1.605) 12.040 11.134 ( -7.902 0.000 -5.359) 9.548 11.134 ( -7.902 0.000 5.359) 9.548 11.352 ( 2.378 -0.000 -3.517) 4.245 11.352 ( 2.378 -0.000 3.517) 4.245 11.533 ( 0.598 -0.000 -2.977) 3.036 11.533 ( 0.598 -0.000 2.977) 3.036 11.937 ( 17.778 -0.000 -0.537) 17.786 11.937 ( 17.778 -0.000 0.537) 17.786 12.058 ( 7.326 -0.000 -4.984) 8.860 12.058 ( 7.326 -0.000 4.984) 8.860 12.364 ( -5.108 0.000 -7.707) 9.246 12.364 ( -5.108 0.000 7.707) 9.246 12.659 ( -2.595 0.000 -0.638) 2.672 12.659 ( -2.595 0.000 0.638) 2.672 12.833 ( 3.790 -0.000 -0.541) 3.829 12.833 ( 3.790 -0.000 0.541) 3.829 13.016 ( -4.984 0.000 -5.190) 7.196 13.016 ( -4.984 0.000 5.190) 7.196 13.272 ( 5.793 -0.000 -2.301) 6.234 13.272 ( 5.793 -0.000 2.301) 6.234 13.469 ( 6.135 -0.000 -0.515) 6.157 13.469 ( 6.135 -0.000 0.515) 6.157 13.976 ( 12.110 -0.000 -3.463) 12.595 13.976 ( 12.110 -0.000 3.463) 12.595 14.314 ( -5.586 0.000 -9.431) 10.961 14.314 ( -5.586 0.000 9.431) 10.961 14.713 ( -1.159 0.000 -5.127) 5.256 14.713 ( -1.159 0.000 5.127) 5.256 15.454 ( -9.986 0.000 -7.222) 12.324 15.454 ( -9.986 0.000 7.222) 12.324 ======================= Grid point 223 (70/84) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.800 ( 17.501 -10.598 -30.744) 36.929 3.800 ( 17.501 -10.598 30.744) 36.929 3.931 ( 26.661 -10.144 -28.630) 40.416 3.931 ( 26.661 -10.144 28.630) 40.416 5.927 ( 11.856 -1.691 -35.727) 37.681 5.927 ( 11.856 -1.691 35.727) 37.681 6.130 ( 1.403 2.886 -4.498) 5.525 6.130 ( 1.403 2.886 4.498) 5.525 6.747 ( -10.331 0.628 -9.335) 13.938 6.747 ( -10.331 0.628 9.335) 13.938 6.824 ( 2.664 -1.571 -13.235) 13.592 6.824 ( 2.664 -1.571 13.235) 13.592 6.967 ( -7.408 8.569 -7.637) 13.661 6.967 ( -7.408 8.569 7.637) 13.661 7.193 ( 1.878 -3.748 -4.494) 6.146 7.193 ( 1.878 -3.748 4.494) 6.146 7.470 ( 8.239 0.314 -9.944) 12.918 7.470 ( 8.239 0.314 9.944) 12.918 7.821 ( 11.100 -4.847 -9.768) 15.560 7.821 ( 11.100 -4.847 9.768) 15.560 8.319 ( -6.570 6.920 -4.391) 10.504 8.319 ( -6.570 6.920 4.391) 10.504 8.547 ( -0.337 0.900 -4.643) 4.741 8.547 ( -0.337 0.900 4.643) 4.741 8.728 ( -13.346 -0.512 -2.109) 13.521 8.728 ( -13.346 -0.512 2.109) 13.521 9.003 ( 2.550 -4.423 -4.952) 7.112 9.003 ( 2.550 -4.423 4.952) 7.112 9.364 ( -9.094 5.519 -1.418) 10.732 9.364 ( -9.094 5.519 1.418) 10.732 9.453 ( -12.985 -2.985 -4.183) 13.964 9.453 ( -12.985 -2.985 4.183) 13.964 9.584 ( -2.279 -5.922 -8.528) 10.630 9.584 ( -2.279 -5.922 8.528) 10.630 9.651 ( -10.461 4.516 -5.056) 12.466 9.651 ( -10.461 4.516 5.056) 12.466 9.939 ( 2.037 -1.327 -5.533) 6.044 9.939 ( 2.037 -1.327 5.533) 6.044 10.059 ( -5.857 -4.588 -6.573) 9.927 10.059 ( -5.857 -4.588 6.573) 9.927 10.462 ( 1.932 2.888 -2.790) 4.456 10.462 ( 1.932 2.888 2.790) 4.456 11.032 ( -0.137 7.387 -5.164) 9.014 11.032 ( -0.137 7.387 5.164) 9.014 11.329 ( 2.708 5.325 -1.995) 6.298 11.329 ( 2.708 5.325 1.995) 6.298 11.540 ( 0.215 0.494 -3.200) 3.245 11.540 ( 0.215 0.494 3.200) 3.245 11.960 ( 0.670 12.510 -1.491) 12.616 11.960 ( 0.670 12.510 1.491) 12.616 12.231 ( 14.089 -0.207 -0.194) 14.091 12.231 ( 14.089 -0.207 0.194) 14.091 12.358 ( 0.858 -1.458 -5.394) 5.653 12.358 ( 0.858 -1.458 5.394) 5.653 12.534 ( -2.070 3.630 -4.105) 5.857 12.534 ( -2.070 3.630 4.105) 5.857 12.809 ( -2.271 0.077 -2.422) 3.321 12.809 ( -2.271 0.077 2.422) 3.321 13.020 ( -4.568 -3.539 -3.198) 6.604 13.020 ( -4.568 -3.539 3.198) 6.604 13.346 ( -4.131 -6.623 -6.201) 9.969 13.346 ( -4.131 -6.623 6.201) 9.969 13.623 ( 10.552 -3.706 -2.725) 11.511 13.623 ( 10.552 -3.706 2.725) 11.511 14.129 ( 3.900 0.982 -4.686) 6.175 14.129 ( 3.900 0.982 4.686) 6.175 14.294 ( 2.403 -7.753 -6.502) 10.400 14.294 ( 2.403 -7.753 6.502) 10.400 14.739 ( 3.978 0.052 -4.385) 5.921 14.739 ( 3.978 0.052 4.385) 5.921 15.289 ( -12.896 1.940 -7.579) 15.084 15.289 ( -12.896 1.940 7.579) 15.084 ======================= Grid point 225 (71/84) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.288 ( 20.563 -18.429 -28.218) 39.481 4.288 ( 20.563 -18.429 28.218) 39.481 4.498 ( 26.345 -16.863 -28.598) 42.383 4.498 ( 26.345 -16.863 28.598) 42.383 5.712 ( -9.094 19.306 -13.865) 25.450 5.712 ( -9.094 19.306 13.865) 25.450 6.042 ( -9.657 18.242 -15.158) 25.609 6.042 ( -9.657 18.242 15.158) 25.609 6.628 ( -10.106 -6.116 -6.066) 13.279 6.628 ( -10.106 -6.116 6.066) 13.279 6.786 ( -5.215 -5.576 -13.315) 15.349 6.786 ( -5.215 -5.576 13.315) 15.349 7.104 ( 11.516 -10.284 -12.567) 19.907 7.104 ( 11.516 -10.284 12.567) 19.907 7.292 ( 4.849 -4.057 -0.773) 6.370 7.292 ( 4.849 -4.057 0.773) 6.370 7.510 ( -3.516 -6.495 -9.341) 11.909 7.510 ( -3.516 -6.495 9.341) 11.909 8.104 ( 8.379 4.322 -8.088) 12.422 8.104 ( 8.379 4.322 8.088) 12.422 8.160 ( 0.151 3.194 -4.272) 5.336 8.160 ( 0.151 3.194 4.272) 5.336 8.372 ( 2.538 7.601 -0.638) 8.039 8.372 ( 2.538 7.601 0.638) 8.039 8.629 ( -10.224 0.142 -2.099) 10.438 8.629 ( -10.224 0.142 2.099) 10.438 8.995 ( -1.128 3.584 -7.704) 8.571 8.995 ( -1.128 3.584 7.704) 8.571 9.178 ( -9.376 -0.042 -5.201) 10.722 9.178 ( -9.376 -0.042 5.201) 10.722 9.394 ( -4.333 -2.168 -10.393) 11.467 9.394 ( -4.333 -2.168 10.393) 11.467 9.505 ( -4.303 1.131 -6.889) 8.200 9.505 ( -4.303 1.131 6.889) 8.200 9.694 ( -5.104 -9.180 -9.895) 14.431 9.694 ( -5.104 -9.180 9.895) 14.431 9.916 ( -9.020 -6.323 -6.512) 12.797 9.916 ( -9.020 -6.323 6.512) 12.797 10.153 ( 5.284 -4.971 -7.078) 10.136 10.153 ( 5.284 -4.971 7.078) 10.136 10.498 ( 11.893 4.663 -3.324) 13.200 10.498 ( 11.893 4.663 3.324) 13.200 10.891 ( 1.389 9.573 -6.809) 11.830 10.891 ( 1.389 9.573 6.809) 11.830 11.293 ( 4.841 4.834 -2.473) 7.274 11.293 ( 4.841 4.834 2.473) 7.274 11.500 ( 1.444 7.128 -6.407) 9.692 11.500 ( 1.444 7.128 6.407) 9.692 11.701 ( -3.757 13.736 -6.968) 15.854 11.701 ( -3.757 13.736 6.968) 15.854 12.145 ( -1.961 9.073 -6.269) 11.201 12.145 ( -1.961 9.073 6.269) 11.201 12.469 ( 1.675 -2.563 -2.726) 4.099 12.469 ( 1.675 -2.563 2.726) 4.099 12.628 ( 6.336 -5.442 -1.412) 8.471 12.628 ( 6.336 -5.442 1.412) 8.471 12.792 ( -2.642 -1.695 -2.801) 4.207 12.792 ( -2.642 -1.695 2.801) 4.207 12.991 ( -1.360 0.135 -4.919) 5.105 12.991 ( -1.360 0.135 4.919) 5.105 13.373 ( -8.330 -6.542 -7.330) 12.881 13.373 ( -8.330 -6.542 7.330) 12.881 13.803 ( 8.662 -2.124 -5.930) 10.710 13.803 ( 8.662 -2.124 5.930) 10.710 14.109 ( -7.229 -5.564 -2.174) 9.378 14.109 ( -7.229 -5.564 2.174) 9.378 14.541 ( 6.909 -7.943 -1.442) 10.625 14.541 ( 6.909 -7.943 1.442) 10.625 14.788 ( 6.291 1.503 -2.156) 6.817 14.788 ( 6.291 1.503 2.156) 6.817 15.090 ( -9.484 3.220 -7.477) 12.499 15.090 ( -9.484 3.220 7.477) 12.499 ======================= Grid point 227 (72/84) ======================= q-point: ( 0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.842 ( 14.553 -13.566 -16.671) 25.956 4.842 ( 14.553 -13.566 16.671) 25.956 5.101 ( 17.769 -13.173 -22.444) 31.512 5.101 ( 17.769 -13.173 22.444) 31.512 5.265 ( -2.322 11.521 -7.614) 14.003 5.265 ( -2.322 11.521 7.614) 14.003 5.435 ( -15.077 28.960 -14.605) 35.767 5.435 ( -15.077 28.960 14.605) 35.767 6.613 ( -14.273 -11.302 -1.410) 18.260 6.613 ( -14.273 -11.302 1.410) 18.260 6.864 ( -11.990 -12.941 -6.911) 18.947 6.864 ( -11.990 -12.941 6.911) 18.947 7.134 ( -4.666 5.287 -6.691) 9.721 7.134 ( -4.666 5.287 6.691) 9.721 7.554 ( 4.180 -1.602 -14.309) 14.993 7.554 ( 4.180 -1.602 14.309) 14.993 7.639 ( -5.969 -12.065 -5.802) 14.658 7.639 ( -5.969 -12.065 5.802) 14.658 7.942 ( 4.515 1.728 -9.876) 10.995 7.942 ( 4.515 1.728 9.876) 10.995 8.038 ( 0.976 6.440 -8.621) 10.805 8.038 ( 0.976 6.440 8.621) 10.805 8.329 ( -8.214 14.962 -10.699) 20.145 8.329 ( -8.214 14.962 10.699) 20.145 8.679 ( 27.734 -0.463 -1.561) 27.781 8.679 ( 27.734 -0.463 1.561) 27.781 9.008 ( 1.272 -3.382 -8.665) 9.388 9.008 ( 1.272 -3.382 8.665) 9.388 9.120 ( -3.579 -3.799 -3.675) 6.384 9.120 ( -3.579 -3.799 3.675) 6.384 9.358 ( -3.731 0.338 -9.733) 10.429 9.358 ( -3.731 0.338 9.733) 10.429 9.474 ( -1.229 -1.517 -10.784) 10.959 9.474 ( -1.229 -1.517 10.784) 10.959 9.717 ( -9.503 -6.251 -4.930) 12.397 9.717 ( -9.503 -6.251 4.930) 12.397 9.930 ( -2.179 -3.106 -5.779) 6.913 9.930 ( -2.179 -3.106 5.779) 6.913 10.357 ( 0.824 -13.071 -14.526) 19.559 10.357 ( 0.824 -13.071 14.526) 19.559 10.553 ( 12.914 8.471 -7.814) 17.309 10.553 ( 12.914 8.471 7.814) 17.309 10.846 ( 7.714 1.116 -6.405) 10.088 10.846 ( 7.714 1.116 6.405) 10.088 11.187 ( -1.436 15.823 -6.877) 17.313 11.187 ( -1.436 15.823 6.877) 17.313 11.360 ( 6.331 9.402 -4.430) 12.170 11.360 ( 6.331 9.402 4.430) 12.170 11.556 ( -1.196 0.779 -2.686) 3.042 11.556 ( -1.196 0.779 2.686) 3.042 12.014 ( -1.326 4.085 -1.186) 4.456 12.014 ( -1.326 4.085 1.186) 4.456 12.435 ( -10.231 -0.579 -2.262) 10.494 12.435 ( -10.231 -0.579 2.262) 10.494 12.708 ( -2.742 -1.065 -1.698) 3.397 12.708 ( -2.742 -1.065 1.698) 3.397 12.796 ( 1.945 -0.305 -1.508) 2.480 12.796 ( 1.945 -0.305 1.508) 2.480 13.041 ( 6.613 0.418 -4.731) 8.141 13.041 ( 6.613 0.418 4.731) 8.141 13.371 ( -6.914 -6.987 -5.375) 11.204 13.371 ( -6.914 -6.987 5.375) 11.204 13.894 ( 4.329 1.337 -7.186) 8.495 13.894 ( 4.329 1.337 7.186) 8.495 14.135 ( -6.182 -6.814 -3.589) 9.876 14.135 ( -6.182 -6.814 3.589) 9.876 14.535 ( -15.020 -0.491 -6.559) 16.397 14.535 ( -15.020 -0.491 6.559) 16.397 14.928 ( 10.469 0.305 -4.671) 11.468 14.928 ( 10.469 0.305 4.671) 11.468 15.019 ( 6.219 -0.722 -5.489) 8.326 15.019 ( 6.219 -0.722 5.489) 8.326 ======================= Grid point 229 (73/84) ======================= q-point: (-0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.545 ( -17.044 23.742 -26.832) 39.676 4.545 ( -17.044 23.742 26.832) 39.676 4.685 ( -13.087 30.685 -22.616) 40.303 4.685 ( -13.087 30.685 22.616) 40.303 5.541 ( 20.263 -14.810 -14.724) 29.099 5.541 ( 20.263 -14.810 14.724) 29.099 5.760 ( 19.547 -20.455 -18.712) 33.921 5.760 ( 19.547 -20.455 18.712) 33.921 6.625 ( -14.797 -11.667 -7.349) 20.226 6.625 ( -14.797 -11.667 7.349) 20.226 6.827 ( -16.341 -5.947 -9.666) 19.896 6.827 ( -16.341 -5.947 9.666) 19.896 7.016 ( -5.111 -0.451 -11.396) 12.497 7.016 ( -5.111 -0.451 11.396) 12.497 7.290 ( -15.004 8.051 -9.296) 19.400 7.290 ( -15.004 8.051 9.296) 19.400 7.539 ( -8.327 25.290 -28.158) 38.753 7.539 ( -8.327 25.290 28.158) 38.753 7.956 ( 2.495 -4.924 -6.623) 8.622 7.956 ( 2.495 -4.924 6.623) 8.622 8.096 ( 11.576 2.106 -5.361) 12.930 8.096 ( 11.576 2.106 5.361) 12.930 8.375 ( 10.746 -11.769 -9.872) 18.747 8.375 ( 10.746 -11.769 9.872) 18.747 8.932 ( 12.229 2.437 -0.532) 12.481 8.932 ( 12.229 2.437 0.532) 12.481 9.032 ( -1.330 -1.908 -8.969) 9.266 9.032 ( -1.330 -1.908 8.969) 9.266 9.209 ( 3.373 -2.172 -7.920) 8.878 9.209 ( 3.373 -2.172 7.920) 8.878 9.327 ( -3.477 -4.082 -2.590) 5.955 9.327 ( -3.477 -4.082 2.590) 5.955 9.534 ( -4.365 -7.973 -10.114) 13.598 9.534 ( -4.365 -7.973 10.114) 13.598 9.702 ( -1.244 -3.250 -4.864) 5.980 9.702 ( -1.244 -3.250 4.864) 5.980 9.970 ( 6.969 0.853 -6.474) 9.550 9.970 ( 6.969 0.853 6.474) 9.550 10.437 ( -1.785 3.562 -13.193) 13.782 10.437 ( -1.785 3.562 13.193) 13.782 10.646 ( 9.267 0.183 -11.642) 14.881 10.646 ( 9.267 0.183 11.642) 14.881 10.938 ( 6.042 6.424 -5.118) 10.196 10.938 ( 6.042 6.424 5.118) 10.196 11.017 ( 2.224 -6.506 -3.891) 7.900 11.017 ( 2.224 -6.506 3.891) 7.900 11.304 ( 3.665 5.353 -3.780) 7.509 11.304 ( 3.665 5.353 3.780) 7.509 11.592 ( 3.822 -2.169 -3.883) 5.864 11.592 ( 3.822 -2.169 3.883) 5.864 11.977 ( 0.409 -0.050 -1.845) 1.891 11.977 ( 0.409 -0.050 1.845) 1.891 12.276 ( -10.969 1.835 -1.070) 11.173 12.276 ( -10.969 1.835 1.070) 11.173 12.656 ( -6.158 -0.594 -0.973) 6.263 12.656 ( -6.158 -0.594 0.973) 6.263 12.797 ( -2.383 2.177 -3.039) 4.433 12.797 ( -2.383 2.177 3.039) 4.433 13.085 ( 4.165 0.800 -6.982) 8.169 13.085 ( 4.165 0.800 6.982) 8.169 13.436 ( -0.683 -4.542 -5.238) 6.967 13.436 ( -0.683 -4.542 5.238) 6.967 13.872 ( -3.310 1.664 -5.121) 6.321 13.872 ( -3.310 1.664 5.121) 6.321 14.103 ( -6.461 2.209 -4.831) 8.364 14.103 ( -6.461 2.209 4.831) 8.364 14.370 ( -10.133 -2.738 -3.884) 11.192 14.370 ( -10.133 -2.738 3.884) 11.192 14.954 ( 6.132 5.278 -1.042) 8.158 14.954 ( 6.132 5.278 1.042) 8.158 15.224 ( 9.963 -5.721 -5.142) 12.587 15.224 ( 9.963 -5.721 5.142) 12.587 ======================= Grid point 231 (74/84) ======================= q-point: (-0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.930 ( -13.662 24.628 -32.496) 43.002 3.930 ( -13.662 24.628 32.496) 43.002 4.103 ( -6.167 25.858 -36.539) 45.186 4.103 ( -6.167 25.858 36.539) 45.186 5.954 ( 13.746 -5.875 -12.533) 19.508 5.954 ( 13.746 -5.875 12.533) 19.508 6.215 ( 5.554 -7.243 -15.328) 17.840 6.215 ( 5.554 -7.243 15.328) 17.840 6.577 ( -5.161 -7.016 -17.921) 19.925 6.577 ( -5.161 -7.016 17.921) 19.925 6.821 ( -8.156 -10.372 -10.751) 17.020 6.821 ( -8.156 -10.372 10.751) 17.020 6.916 ( -3.809 12.124 -17.381) 21.531 6.916 ( -3.809 12.124 17.381) 21.531 6.996 ( -8.746 7.490 -9.138) 14.700 6.996 ( -8.746 7.490 9.138) 14.700 7.100 ( -7.692 1.612 -5.558) 9.626 7.100 ( -7.692 1.612 5.558) 9.626 8.068 ( 7.869 3.687 -7.910) 11.751 8.068 ( 7.869 3.687 7.910) 11.751 8.194 ( 0.396 -5.022 -3.514) 6.143 8.194 ( 0.396 -5.022 3.514) 6.143 8.633 ( 8.097 -5.042 -5.215) 10.871 8.633 ( 8.097 -5.042 5.215) 10.871 8.947 ( -0.104 3.895 -7.481) 8.435 8.947 ( -0.104 3.895 7.481) 8.435 9.100 ( 0.392 -5.817 -6.027) 8.385 9.100 ( 0.392 -5.817 6.027) 8.385 9.225 ( 4.156 2.899 -6.332) 8.110 9.225 ( 4.156 2.899 6.332) 8.110 9.408 ( -5.565 -8.060 -3.541) 10.415 9.408 ( -5.565 -8.060 3.541) 10.415 9.550 ( -7.795 -9.721 -7.049) 14.316 9.550 ( -7.795 -9.721 7.049) 14.316 9.769 ( 2.014 1.126 -12.382) 12.595 9.769 ( 2.014 1.126 12.382) 12.595 10.088 ( 11.135 3.712 -12.920) 17.456 10.088 ( 11.135 3.712 12.920) 17.456 10.302 ( 4.916 7.632 -7.155) 11.559 10.302 ( 4.916 7.632 7.155) 11.559 10.746 ( 6.596 -0.979 -10.173) 12.164 10.746 ( 6.596 -0.979 10.173) 12.164 10.994 ( 0.226 -2.885 -2.736) 3.983 10.994 ( 0.226 -2.885 2.736) 3.983 11.162 ( 0.571 -9.239 -8.490) 12.560 11.162 ( 0.571 -9.239 8.490) 12.560 11.325 ( -2.610 -6.637 -5.053) 8.740 11.325 ( -2.610 -6.637 5.053) 8.740 11.714 ( 12.547 -0.029 -2.204) 12.740 11.714 ( 12.547 -0.029 2.204) 12.740 12.015 ( 2.444 -0.202 -1.501) 2.875 12.015 ( 2.444 -0.202 1.501) 2.875 12.147 ( -5.199 -1.513 -2.801) 6.096 12.147 ( -5.199 -1.513 2.801) 6.096 12.541 ( -15.249 -0.218 -4.259) 15.834 12.541 ( -15.249 -0.218 4.259) 15.834 12.691 ( -1.437 4.465 -4.756) 6.680 12.691 ( -1.437 4.465 4.756) 6.680 13.152 ( 4.805 -1.067 -4.848) 6.908 13.152 ( 4.805 -1.067 4.848) 6.908 13.412 ( -5.160 3.353 -7.059) 9.364 13.412 ( -5.160 3.353 7.059) 9.364 13.814 ( -3.194 -1.315 -5.719) 6.682 13.814 ( -3.194 -1.315 5.719) 6.682 13.950 ( -2.028 8.595 -4.131) 9.749 13.950 ( -2.028 8.595 4.131) 9.749 14.342 ( -3.426 -2.497 -6.776) 7.993 14.342 ( -3.426 -2.497 6.776) 7.993 14.932 ( 4.447 5.852 -3.817) 8.282 14.932 ( 4.447 5.852 3.817) 8.282 15.413 ( 5.259 -5.228 -5.674) 9.337 15.413 ( 5.259 -5.228 5.674) 9.337 ======================= Grid point 233 (75/84) ======================= q-point: (-0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.473 ( 0.000 19.457 -38.854) 43.453 3.473 ( 0.000 19.457 38.854) 43.453 3.698 ( 0.000 18.664 -43.981) 47.778 3.698 ( 0.000 18.664 43.981) 47.778 5.895 ( 0.000 21.106 -49.597) 53.901 5.895 ( 0.000 21.106 49.597) 53.901 6.198 ( 0.000 2.850 -14.478) 14.756 6.198 ( 0.000 2.850 14.478) 14.756 6.665 ( -0.000 -0.112 -19.828) 19.829 6.665 ( -0.000 -0.112 19.828) 19.829 6.800 ( -0.000 -7.554 -2.728) 8.032 6.800 ( -0.000 -7.554 2.728) 8.032 6.948 ( -0.000 -7.857 -6.486) 10.189 6.948 ( -0.000 -7.857 6.486) 10.189 7.011 ( -0.000 -11.361 -12.687) 17.030 7.011 ( -0.000 -11.361 12.687) 17.030 7.090 ( -0.000 -3.537 -9.418) 10.061 7.090 ( -0.000 -3.537 9.418) 10.061 7.957 ( 0.000 11.659 -13.407) 17.767 7.957 ( 0.000 11.659 13.407) 17.767 8.348 ( -0.000 -11.019 -12.226) 16.458 8.348 ( -0.000 -11.019 12.226) 16.458 8.781 ( -0.000 -2.082 -2.751) 3.450 8.781 ( -0.000 -2.082 2.751) 3.450 8.827 ( 0.000 4.849 -16.403) 17.105 8.827 ( 0.000 4.849 16.403) 17.105 9.114 ( 0.000 3.964 -4.908) 6.309 9.114 ( 0.000 3.964 4.908) 6.309 9.307 ( -0.000 -4.935 -7.139) 8.678 9.307 ( -0.000 -4.935 7.139) 8.678 9.387 ( -0.000 -1.132 -5.668) 5.780 9.387 ( -0.000 -1.132 5.668) 5.780 9.699 ( 0.000 6.650 -11.340) 13.145 9.699 ( 0.000 6.650 11.340) 13.145 9.740 ( -0.000 -14.719 -5.297) 15.643 9.740 ( -0.000 -14.719 5.297) 15.643 10.023 ( 0.000 7.372 -10.419) 12.763 10.023 ( 0.000 7.372 10.419) 12.763 10.378 ( -0.000 -4.037 -5.552) 6.865 10.378 ( -0.000 -4.037 5.552) 6.865 10.818 ( 0.000 0.436 -7.781) 7.793 10.818 ( 0.000 0.436 7.781) 7.793 10.996 ( -0.000 -2.470 -4.688) 5.299 10.996 ( -0.000 -2.470 4.688) 5.299 11.356 ( -0.000 -12.375 -9.435) 15.562 11.356 ( -0.000 -12.375 9.435) 15.562 11.430 ( -0.000 -7.654 -8.816) 11.675 11.430 ( -0.000 -7.654 8.816) 11.675 11.826 ( 0.000 2.447 -2.961) 3.841 11.826 ( 0.000 2.447 2.961) 3.841 11.949 ( 0.000 6.365 -2.242) 6.749 11.949 ( 0.000 6.365 2.242) 6.749 12.268 ( -0.000 -12.805 -7.108) 14.645 12.268 ( -0.000 -12.805 7.108) 14.645 12.390 ( -0.000 -1.416 -8.557) 8.673 12.390 ( -0.000 -1.416 8.557) 8.673 12.635 ( 0.000 2.024 -7.291) 7.566 12.635 ( 0.000 2.024 7.291) 7.566 13.198 ( 0.000 1.296 -3.900) 4.110 13.198 ( 0.000 1.296 3.900) 4.110 13.279 ( 0.000 5.432 -7.756) 9.469 13.279 ( 0.000 5.432 7.756) 9.469 13.744 ( 0.000 11.959 -5.970) 13.366 13.744 ( 0.000 11.959 5.970) 13.366 13.842 ( -0.000 -0.372 -5.331) 5.344 13.842 ( -0.000 -0.372 5.331) 5.344 14.343 ( -0.000 -0.350 -8.790) 8.797 14.343 ( -0.000 -0.350 8.790) 8.797 14.873 ( 0.000 4.966 -7.957) 9.380 14.873 ( 0.000 4.966 7.957) 9.380 15.522 ( -0.000 -3.888 -6.244) 7.356 15.522 ( -0.000 -3.888 6.244) 7.356 ======================= Grid point 239 (76/84) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.946 ( 19.726 -0.000 -26.033) 32.662 3.946 ( 19.726 -0.000 26.033) 32.662 4.205 ( 28.471 -0.000 -23.431) 36.873 4.205 ( 28.471 -0.000 23.431) 36.873 6.057 ( 4.931 -0.000 -27.643) 28.080 6.057 ( 4.931 -0.000 27.643) 28.080 6.240 ( 4.599 -0.000 -17.704) 18.292 6.240 ( 4.599 -0.000 17.704) 18.292 6.538 ( -12.551 0.000 -2.268) 12.754 6.538 ( -12.551 0.000 2.268) 12.754 6.808 ( -1.098 0.000 -2.851) 3.055 6.808 ( -1.098 0.000 2.851) 3.055 7.030 ( -4.511 0.000 -6.321) 7.766 7.030 ( -4.511 0.000 6.321) 7.766 7.160 ( 0.631 -0.000 -11.555) 11.572 7.160 ( 0.631 -0.000 11.555) 11.572 7.364 ( -12.808 0.000 -5.437) 13.914 7.364 ( -12.808 0.000 5.437) 13.914 8.059 ( 24.740 -0.000 -0.331) 24.742 8.059 ( 24.740 -0.000 0.331) 24.742 8.273 ( -10.098 0.000 -2.711) 10.456 8.273 ( -10.098 0.000 2.711) 10.456 8.544 ( 0.690 -0.000 -1.126) 1.320 8.544 ( 0.690 -0.000 1.126) 1.320 8.660 ( -2.442 0.000 -10.744) 11.018 8.660 ( -2.442 0.000 10.744) 11.018 8.970 ( -1.134 0.000 -0.857) 1.422 8.970 ( -1.134 0.000 0.857) 1.422 9.151 ( -19.033 0.000 -1.261) 19.074 9.151 ( -19.033 0.000 1.261) 19.074 9.285 ( -11.929 0.000 -2.040) 12.102 9.285 ( -11.929 0.000 2.040) 12.102 9.439 ( -4.191 0.000 -9.844) 10.699 9.439 ( -4.191 0.000 9.844) 10.699 9.690 ( 1.406 -0.000 -1.303) 1.917 9.690 ( 1.406 -0.000 1.303) 1.917 9.825 ( -6.273 0.000 -2.517) 6.759 9.825 ( -6.273 0.000 2.517) 6.759 10.073 ( 4.109 -0.000 -0.847) 4.195 10.073 ( 4.109 -0.000 0.847) 4.195 10.587 ( 10.769 -0.000 -2.244) 11.000 10.587 ( 10.769 -0.000 2.244) 11.000 11.146 ( 4.641 -0.000 -2.624) 5.331 11.146 ( 4.641 -0.000 2.624) 5.331 11.393 ( 0.125 -0.000 -3.347) 3.349 11.393 ( 0.125 -0.000 3.347) 3.349 11.533 ( 0.233 -0.000 -3.497) 3.505 11.533 ( 0.233 -0.000 3.497) 3.505 12.152 ( 4.396 -0.000 -3.275) 5.482 12.152 ( 4.396 -0.000 3.275) 5.482 12.237 ( -4.098 0.000 -6.875) 8.004 12.237 ( -4.098 0.000 6.875) 8.004 12.398 ( 7.555 -0.000 -1.544) 7.711 12.398 ( 7.555 -0.000 1.544) 7.711 12.565 ( -2.651 0.000 -1.517) 3.055 12.565 ( -2.651 0.000 1.517) 3.055 12.738 ( -6.656 0.000 -4.553) 8.065 12.738 ( -6.656 0.000 4.553) 8.065 12.950 ( 1.216 -0.000 -1.264) 1.754 12.950 ( 1.216 -0.000 1.264) 1.754 13.215 ( -5.748 0.000 -0.447) 5.765 13.215 ( -5.748 0.000 0.447) 5.765 13.738 ( 9.110 -0.000 -1.666) 9.261 13.738 ( 9.110 -0.000 1.666) 9.261 14.028 ( -11.373 0.000 -3.498) 11.898 14.028 ( -11.373 0.000 3.498) 11.898 14.377 ( 12.310 -0.000 -3.763) 12.872 14.377 ( 12.310 -0.000 3.763) 12.872 14.815 ( 5.840 -0.000 -1.273) 5.977 14.815 ( 5.840 -0.000 1.273) 5.977 15.144 ( -10.533 0.000 -7.707) 13.051 15.144 ( -10.533 0.000 7.707) 13.051 ======================= Grid point 241 (77/84) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.313 ( 22.160 -11.728 -20.056) 32.107 4.313 ( 22.160 -11.728 20.056) 32.107 4.637 ( 27.698 -8.137 -20.186) 35.226 4.637 ( 27.698 -8.137 20.186) 35.226 5.926 ( -6.724 15.918 -15.652) 23.315 5.926 ( -6.724 15.918 15.652) 23.315 6.115 ( -12.427 3.589 -7.352) 14.879 6.115 ( -12.427 3.589 7.352) 14.879 6.448 ( -7.412 4.389 -8.473) 12.083 6.448 ( -7.412 4.389 8.473) 12.083 6.680 ( -15.723 8.767 -8.460) 19.891 6.680 ( -15.723 8.767 8.460) 19.891 6.939 ( -11.297 -13.203 -9.266) 19.693 6.939 ( -11.297 -13.203 9.266) 19.693 7.258 ( 13.195 -7.761 -18.762) 24.215 7.258 ( 13.195 -7.761 18.762) 24.215 7.430 ( 4.719 -6.738 -11.690) 14.294 7.430 ( 4.719 -6.738 11.690) 14.294 8.070 ( -12.333 -0.350 -4.271) 13.056 8.070 ( -12.333 -0.350 4.271) 13.056 8.250 ( -3.423 8.240 -7.944) 11.947 8.250 ( -3.423 8.240 7.944) 11.947 8.542 ( 5.796 1.678 -7.080) 9.302 8.542 ( 5.796 1.678 7.080) 9.302 8.660 ( 12.234 3.318 -3.439) 13.134 8.660 ( 12.234 3.318 3.439) 13.134 8.921 ( -5.868 -7.649 -6.142) 11.431 8.921 ( -5.868 -7.649 6.142) 11.431 9.131 ( -7.632 2.972 -4.743) 9.465 9.131 ( -7.632 2.972 4.743) 9.465 9.199 ( -0.937 -11.148 -8.298) 13.929 9.199 ( -0.937 -11.148 8.298) 13.929 9.435 ( 1.369 -0.485 -4.562) 4.787 9.435 ( 1.369 -0.485 4.562) 4.787 9.628 ( -1.978 4.256 -3.332) 5.756 9.628 ( -1.978 4.256 3.332) 5.756 9.831 ( 2.802 -1.553 -6.178) 6.959 9.831 ( 2.802 -1.553 6.178) 6.959 10.114 ( -0.599 -2.883 -7.075) 7.663 10.114 ( -0.599 -2.883 7.075) 7.663 10.728 ( 12.855 1.380 -0.681) 12.946 10.728 ( 12.855 1.380 0.681) 12.946 11.079 ( 0.496 10.877 -3.556) 11.455 11.079 ( 0.496 10.877 3.556) 11.455 11.402 ( 0.914 -0.137 -3.019) 3.157 11.402 ( 0.914 -0.137 3.019) 3.157 11.534 ( 1.502 1.318 -3.849) 4.336 11.534 ( 1.502 1.318 3.849) 4.336 11.962 ( 0.003 16.483 -4.885) 17.192 11.962 ( 0.003 16.483 4.885) 17.192 12.246 ( -3.863 6.010 -5.900) 9.266 12.246 ( -3.863 6.010 5.900) 9.266 12.407 ( -5.405 -0.076 -2.664) 6.026 12.407 ( -5.405 -0.076 2.664) 6.026 12.553 ( 1.079 -5.999 -2.704) 6.668 12.553 ( 1.079 -5.999 2.704) 6.668 12.743 ( -2.320 -4.894 -3.366) 6.376 12.743 ( -2.320 -4.894 3.366) 6.376 13.007 ( 6.539 -0.561 -1.097) 6.654 13.007 ( 6.539 -0.561 1.097) 6.654 13.194 ( -4.250 -3.946 -5.306) 7.860 13.194 ( -4.250 -3.946 5.306) 7.860 13.812 ( -4.158 -4.978 -3.116) 7.196 13.812 ( -4.158 -4.978 3.116) 7.196 13.963 ( 0.763 -0.943 -2.507) 2.785 13.963 ( 0.763 -0.943 2.507) 2.785 14.470 ( -5.179 -2.702 -8.475) 10.293 14.470 ( -5.179 -2.702 8.475) 10.293 14.867 ( 3.688 -0.811 -1.396) 4.026 14.867 ( 3.688 -0.811 1.396) 4.026 15.082 ( 3.556 1.402 -4.476) 5.887 15.082 ( 3.556 1.402 4.476) 5.887 ======================= Grid point 243 (78/84) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.837 ( 20.447 -14.829 -12.012) 27.969 4.837 ( 20.447 -14.829 12.012) 27.969 5.143 ( 22.719 -11.966 -16.779) 30.674 5.143 ( 22.719 -11.966 16.779) 30.674 5.489 ( -5.746 21.302 -14.996) 26.677 5.489 ( -5.746 21.302 14.996) 26.677 5.754 ( -9.525 25.585 -15.319) 31.304 5.754 ( -9.525 25.585 15.319) 31.304 6.200 ( -19.982 -7.668 -1.498) 21.455 6.200 ( -19.982 -7.668 1.498) 21.455 6.493 ( -18.475 -7.327 -7.019) 21.078 6.493 ( -18.475 -7.327 7.019) 21.078 6.976 ( -14.338 -9.261 -9.664) 19.615 6.976 ( -14.338 -9.261 9.664) 19.615 7.489 ( 1.505 0.472 -3.753) 4.071 7.489 ( 1.505 0.472 3.753) 4.071 7.651 ( 12.923 -4.335 -13.529) 19.205 7.651 ( 12.923 -4.335 13.529) 19.205 7.972 ( 2.479 -3.999 -7.847) 9.149 7.972 ( 2.479 -3.999 7.847) 9.149 8.134 ( -0.042 0.078 -5.986) 5.987 8.134 ( -0.042 0.078 5.986) 5.987 8.420 ( -3.890 8.709 -2.590) 9.883 8.420 ( -3.890 8.709 2.590) 9.883 8.826 ( 0.650 2.145 -5.813) 6.230 8.826 ( 0.650 2.145 5.813) 6.230 8.957 ( -3.870 -6.835 -4.488) 9.046 8.957 ( -3.870 -6.835 4.488) 9.046 9.123 ( 5.576 -4.597 -10.140) 12.451 9.123 ( 5.576 -4.597 10.140) 12.451 9.314 ( 0.435 -3.420 -12.520) 12.986 9.314 ( 0.435 -3.420 12.520) 12.986 9.428 ( 0.009 2.448 -4.913) 5.489 9.428 ( 0.009 2.448 4.913) 5.489 9.608 ( 5.220 1.152 -2.673) 5.976 9.608 ( 5.220 1.152 2.673) 5.976 9.934 ( 8.423 -2.413 -9.640) 13.027 9.934 ( 8.423 -2.413 9.640) 13.027 10.185 ( -0.655 -7.884 -13.088) 15.294 10.185 ( -0.655 -7.884 13.088) 15.294 10.816 ( 4.977 6.894 -9.539) 12.778 10.816 ( 4.977 6.894 9.539) 12.778 10.938 ( 3.915 3.027 -2.208) 5.419 10.938 ( 3.915 3.027 2.208) 5.419 11.344 ( -4.625 5.656 -3.628) 8.158 11.344 ( -4.625 5.656 3.628) 8.158 11.568 ( 6.529 1.169 -2.510) 7.092 11.568 ( 6.529 1.169 2.510) 7.092 11.669 ( -0.280 17.390 -1.422) 17.450 11.669 ( -0.280 17.390 1.422) 17.450 12.085 ( -1.213 6.528 -2.980) 7.278 12.085 ( -1.213 6.528 2.980) 7.278 12.308 ( -8.375 0.749 -2.525) 8.779 12.308 ( -8.375 0.749 2.525) 8.779 12.612 ( -3.987 -1.838 -1.028) 4.509 12.612 ( -3.987 -1.838 1.028) 4.509 12.816 ( 0.629 -4.338 -0.887) 4.472 12.816 ( 0.629 -4.338 0.887) 4.472 13.111 ( 4.373 -0.218 -4.496) 6.276 13.111 ( 4.373 -0.218 4.496) 6.276 13.230 ( 3.054 -4.454 -2.121) 5.802 13.230 ( 3.054 -4.454 2.121) 5.802 13.822 ( -10.021 -6.436 -4.350) 12.679 13.822 ( -10.021 -6.436 4.350) 12.679 14.021 ( 2.200 -2.774 -3.307) 4.845 14.021 ( 2.200 -2.774 3.307) 4.845 14.341 ( -13.714 -0.018 -6.282) 15.084 14.341 ( -13.714 -0.018 6.282) 15.084 14.976 ( 4.833 -4.015 -5.076) 8.077 14.976 ( 4.833 -4.015 5.076) 8.077 15.145 ( 8.772 1.608 -4.104) 9.817 15.145 ( 8.772 1.608 4.104) 9.817 ======================= Grid point 245 (79/84) ======================= q-point: (-0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.782 ( -8.042 25.144 -24.159) 35.785 4.782 ( -8.042 25.144 24.159) 35.785 5.080 ( -4.980 30.900 -20.135) 37.216 5.080 ( -4.980 30.900 20.135) 37.216 5.584 ( 21.138 -13.280 -12.479) 27.909 5.584 ( 21.138 -13.280 12.479) 27.909 5.729 ( 20.332 -13.982 -18.607) 30.905 5.729 ( 20.332 -13.982 18.607) 30.905 6.166 ( -19.337 -17.049 -6.848) 26.674 6.166 ( -19.337 -17.049 6.848) 26.674 6.394 ( -20.686 -12.590 -8.773) 25.757 6.394 ( -20.686 -12.590 8.773) 25.757 6.912 ( -8.323 -2.615 -7.181) 11.299 6.912 ( -8.323 -2.615 7.181) 11.299 7.308 ( -4.405 11.142 -5.604) 13.227 7.308 ( -4.405 11.142 5.604) 13.227 7.846 ( 7.622 4.372 -15.036) 17.416 7.846 ( 7.622 4.372 15.036) 17.416 8.001 ( -3.765 10.056 -18.080) 21.028 8.001 ( -3.765 10.056 18.080) 21.028 8.230 ( 5.582 1.255 -3.034) 6.476 8.230 ( 5.582 1.255 3.034) 6.476 8.329 ( 8.566 -8.508 -10.317) 15.882 8.329 ( 8.566 -8.508 10.317) 15.882 8.793 ( -5.957 -8.823 -0.426) 10.655 8.793 ( -5.957 -8.823 0.426) 10.655 9.059 ( 0.946 -4.254 -3.158) 5.382 9.059 ( 0.946 -4.254 3.158) 5.382 9.161 ( -6.235 -3.764 -4.504) 8.563 9.161 ( -6.235 -3.764 4.504) 8.563 9.336 ( 0.077 2.880 -5.605) 6.302 9.336 ( 0.077 2.880 5.605) 6.302 9.476 ( 8.268 2.189 -2.845) 9.014 9.476 ( 8.268 2.189 2.845) 9.014 9.617 ( -2.587 -2.810 -5.708) 6.869 9.617 ( -2.587 -2.810 5.708) 6.869 10.114 ( 12.249 -1.650 -9.151) 15.378 10.114 ( 12.249 -1.650 9.151) 15.378 10.349 ( 3.683 -8.492 -11.373) 14.664 10.349 ( 3.683 -8.492 11.373) 14.664 10.763 ( -0.148 -1.720 -1.962) 2.613 10.763 ( -0.148 -1.720 1.962) 2.613 10.958 ( 0.087 5.240 -7.052) 8.786 10.958 ( 0.087 5.240 7.052) 8.786 11.155 ( -0.660 8.265 -3.396) 8.960 11.155 ( -0.660 8.265 3.396) 8.960 11.370 ( -5.215 11.658 -3.731) 13.305 11.370 ( -5.215 11.658 3.731) 13.305 11.708 ( 10.066 -2.040 -1.364) 10.361 11.708 ( 10.066 -2.040 1.364) 10.361 12.028 ( 3.581 2.748 -2.109) 4.982 12.028 ( 3.581 2.748 2.109) 4.982 12.184 ( -7.526 1.431 -1.525) 7.812 12.184 ( -7.526 1.431 1.525) 7.812 12.554 ( -5.376 1.575 -4.639) 7.274 12.554 ( -5.376 1.575 4.639) 7.274 12.836 ( -0.915 1.783 -4.250) 4.699 12.836 ( -0.915 1.783 4.250) 4.699 13.126 ( 1.726 0.503 -5.086) 5.395 13.126 ( 1.726 0.503 5.086) 5.395 13.402 ( 7.613 -4.273 -6.604) 10.947 13.402 ( 7.613 -4.273 6.604) 10.947 13.723 ( -14.336 -2.551 -7.295) 16.287 13.723 ( -14.336 -2.551 7.295) 16.287 14.108 ( 1.896 -3.746 -2.379) 4.826 14.108 ( 1.896 -3.746 2.379) 4.826 14.209 ( -6.845 -0.682 -0.570) 6.903 14.209 ( -6.845 -0.682 0.570) 6.903 15.062 ( 2.837 0.219 -5.051) 5.798 15.062 ( 2.837 0.219 5.051) 5.798 15.250 ( 5.598 -2.903 -5.289) 8.230 15.250 ( 5.598 -2.903 5.289) 8.230 ======================= Grid point 247 (80/84) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.274 ( 0.000 27.902 -28.153) 39.638 4.274 ( 0.000 27.902 28.153) 39.638 4.530 ( 0.000 30.964 -30.155) 43.221 4.530 ( 0.000 30.964 30.155) 43.221 5.967 ( -0.000 -9.011 -13.940) 16.599 5.967 ( -0.000 -9.011 13.940) 16.599 6.106 ( -0.000 -12.094 -19.161) 22.659 6.106 ( -0.000 -12.094 19.161) 22.659 6.293 ( -0.000 -17.066 -16.558) 23.779 6.293 ( -0.000 -17.066 16.558) 23.779 6.478 ( -0.000 -17.874 -12.430) 21.772 6.478 ( -0.000 -17.874 12.430) 21.772 6.886 ( -0.000 -1.293 -4.880) 5.048 6.886 ( -0.000 -1.293 4.880) 5.048 7.123 ( 0.000 7.138 -10.376) 12.595 7.123 ( 0.000 7.138 10.376) 12.595 7.441 ( 0.000 34.797 -37.033) 50.816 7.441 ( 0.000 34.797 37.033) 50.816 8.008 ( -0.000 -6.469 -10.293) 12.157 8.008 ( -0.000 -6.469 10.293) 12.157 8.283 ( 0.000 2.851 -10.864) 11.232 8.283 ( 0.000 2.851 10.864) 11.232 8.548 ( -0.000 -9.867 -8.358) 12.931 8.548 ( -0.000 -9.867 8.358) 12.931 8.934 ( -0.000 -9.159 -5.823) 10.854 8.934 ( -0.000 -9.159 5.823) 10.854 9.074 ( 0.000 1.312 -7.023) 7.145 9.074 ( 0.000 1.312 7.023) 7.145 9.237 ( -0.000 -8.472 -7.127) 11.071 9.237 ( -0.000 -8.472 7.127) 11.071 9.283 ( 0.000 1.679 -13.045) 13.153 9.283 ( 0.000 1.679 13.045) 13.153 9.416 ( 0.000 3.426 -3.233) 4.710 9.416 ( 0.000 3.426 3.233) 4.710 9.726 ( -0.000 -7.255 -14.684) 16.379 9.726 ( -0.000 -7.255 14.684) 16.379 10.213 ( 0.000 1.014 -12.519) 12.560 10.213 ( 0.000 1.014 12.519) 12.560 10.453 ( 0.000 2.788 -10.178) 10.553 10.453 ( 0.000 2.788 10.178) 10.553 10.800 ( 0.000 4.618 -16.570) 17.202 10.800 ( 0.000 4.618 16.570) 17.202 10.886 ( -0.000 -8.408 -9.691) 12.830 10.886 ( -0.000 -8.408 9.691) 12.830 11.132 ( -0.000 -3.034 -6.414) 7.095 11.132 ( -0.000 -3.034 6.414) 7.095 11.171 ( 0.000 4.939 -6.885) 8.473 11.171 ( 0.000 4.939 6.885) 8.473 11.846 ( -0.000 -2.350 -5.779) 6.238 11.846 ( -0.000 -2.350 5.779) 6.238 12.058 ( -0.000 -0.831 -1.400) 1.628 12.058 ( -0.000 -0.831 1.400) 1.628 12.092 ( 0.000 1.912 -1.265) 2.293 12.092 ( 0.000 1.912 1.265) 2.293 12.440 ( 0.000 4.273 -8.672) 9.668 12.440 ( 0.000 4.273 8.672) 9.668 12.769 ( 0.000 4.936 -4.690) 6.809 12.769 ( 0.000 4.936 4.690) 6.809 13.156 ( -0.000 -2.011 -4.917) 5.313 13.156 ( -0.000 -2.011 4.917) 5.313 13.441 ( 0.000 4.102 -10.163) 10.959 13.441 ( 0.000 4.102 10.163) 10.959 13.703 ( -0.000 -6.713 -5.702) 8.808 13.703 ( -0.000 -6.713 5.702) 8.808 14.081 ( 0.000 6.808 -5.409) 8.695 14.081 ( 0.000 6.808 5.409) 8.695 14.245 ( -0.000 -6.254 -5.313) 8.206 14.245 ( -0.000 -6.254 5.313) 8.206 15.044 ( 0.000 4.100 -0.863) 4.189 15.044 ( 0.000 4.100 0.863) 4.189 15.358 ( -0.000 -5.444 -4.983) 7.380 15.358 ( -0.000 -5.444 4.983) 7.380 ======================= Grid point 257 (81/84) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.503 ( 23.205 -0.000 -13.931) 27.066 4.503 ( 23.205 -0.000 13.931) 27.066 4.933 ( 27.957 -0.000 -14.937) 31.697 4.933 ( 27.957 -0.000 14.937) 31.697 5.780 ( -21.939 0.000 -0.308) 21.941 5.780 ( -21.939 0.000 0.308) 21.941 6.171 ( -1.286 0.000 -9.449) 9.536 6.171 ( -1.286 0.000 9.449) 9.536 6.346 ( -15.916 0.000 -6.908) 17.350 6.346 ( -15.916 0.000 6.908) 17.350 6.515 ( -15.721 0.000 -13.071) 20.445 6.515 ( -15.721 0.000 13.071) 20.445 6.800 ( -9.471 0.000 -5.509) 10.957 6.800 ( -9.471 0.000 5.509) 10.957 7.086 ( -3.701 0.000 -13.086) 13.599 7.086 ( -3.701 0.000 13.086) 13.599 7.624 ( 25.478 -0.000 -32.612) 41.384 7.624 ( 25.478 -0.000 32.612) 41.384 7.918 ( -11.193 0.000 -2.921) 11.568 7.918 ( -11.193 0.000 2.921) 11.568 8.276 ( -3.957 0.000 -4.202) 5.772 8.276 ( -3.957 0.000 4.202) 5.772 8.586 ( -6.233 0.000 -9.572) 11.423 8.586 ( -6.233 0.000 9.572) 11.423 8.763 ( 0.042 -0.000 -5.192) 5.192 8.763 ( 0.042 -0.000 5.192) 5.192 8.834 ( 6.693 -0.000 -0.090) 6.693 8.834 ( 6.693 -0.000 0.090) 6.693 8.994 ( -5.950 0.000 -1.053) 6.043 8.994 ( -5.950 0.000 1.053) 6.043 9.157 ( 1.142 -0.000 -3.471) 3.654 9.157 ( 1.142 -0.000 3.471) 3.654 9.525 ( 5.276 -0.000 -6.667) 8.502 9.525 ( 5.276 -0.000 6.667) 8.502 9.735 ( 14.112 -0.000 -7.031) 15.766 9.735 ( 14.112 -0.000 7.031) 15.766 9.877 ( 6.678 -0.000 -4.823) 8.238 9.877 ( 6.678 -0.000 4.823) 8.238 10.057 ( -3.608 0.000 -3.292) 4.884 10.057 ( -3.608 0.000 3.292) 4.884 10.865 ( 6.785 -0.000 -3.742) 7.748 10.865 ( 6.785 -0.000 3.742) 7.748 11.150 ( -6.759 0.000 -9.219) 11.431 11.150 ( -6.759 0.000 9.219) 11.431 11.379 ( 0.998 -0.000 -5.817) 5.902 11.379 ( 0.998 -0.000 5.817) 5.902 11.576 ( 1.301 -0.000 -10.158) 10.241 11.576 ( 1.301 -0.000 10.158) 10.241 12.110 ( -6.821 0.000 -7.342) 10.022 12.110 ( -6.821 0.000 7.342) 10.022 12.222 ( 1.790 -0.000 -3.374) 3.820 12.222 ( 1.790 -0.000 3.374) 3.820 12.372 ( -0.867 0.000 -2.862) 2.990 12.372 ( -0.867 0.000 2.862) 2.990 12.543 ( -2.028 0.000 -1.457) 2.497 12.543 ( -2.028 0.000 1.457) 2.497 12.607 ( -3.607 0.000 -4.032) 5.410 12.607 ( -3.607 0.000 4.032) 5.410 13.103 ( 7.908 -0.000 -2.464) 8.283 13.103 ( 7.908 -0.000 2.464) 8.283 13.154 ( 3.010 -0.000 -8.129) 8.668 13.154 ( 3.010 -0.000 8.129) 8.668 13.662 ( -9.073 0.000 -5.803) 10.770 13.662 ( -9.073 0.000 5.803) 10.770 13.997 ( 1.292 -0.000 -2.083) 2.452 13.997 ( 1.292 -0.000 2.083) 2.452 14.329 ( -11.686 0.000 -9.531) 15.080 14.329 ( -11.686 0.000 9.531) 15.080 14.895 ( 3.258 -0.000 -4.923) 5.903 14.895 ( 3.258 -0.000 4.923) 5.903 15.180 ( 7.770 -0.000 -0.724) 7.804 15.180 ( 7.770 -0.000 0.724) 7.804 ======================= Grid point 259 (82/84) ======================= q-point: ( 0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.894 ( 21.921 -10.746 -5.580) 25.043 4.894 ( 21.921 -10.746 5.580) 25.043 5.310 ( 22.019 -3.853 -9.049) 24.116 5.310 ( 22.019 -3.853 9.049) 24.116 5.553 ( -18.551 -6.151 -2.481) 19.701 5.553 ( -18.551 -6.151 2.481) 19.701 5.862 ( -4.525 19.677 -9.431) 22.285 5.862 ( -4.525 19.677 9.431) 22.285 6.118 ( -20.295 1.139 -9.296) 22.352 6.118 ( -20.295 1.139 9.296) 22.352 6.322 ( -5.773 25.173 -12.022) 28.487 6.322 ( -5.773 25.173 12.022) 28.487 6.611 ( -8.867 -15.068 -10.900) 20.603 6.611 ( -8.867 -15.068 10.900) 20.603 7.385 ( 3.562 -23.350 -10.405) 25.810 7.385 ( 3.562 -23.350 10.405) 25.810 7.712 ( -5.326 6.886 -7.603) 11.558 7.712 ( -5.326 6.886 7.603) 11.558 7.979 ( 14.637 -2.001 -16.535) 22.174 7.979 ( 14.637 -2.001 16.535) 22.174 8.191 ( 2.778 4.179 -2.444) 5.581 8.191 ( 2.778 4.179 2.444) 5.581 8.463 ( -7.935 2.502 -13.828) 16.138 8.463 ( -7.935 2.502 13.828) 16.138 8.774 ( -3.723 -5.988 -8.262) 10.862 8.774 ( -3.723 -5.988 8.262) 10.862 8.856 ( -4.243 3.729 -7.660) 9.518 8.856 ( -4.243 3.729 7.660) 9.518 9.059 ( 6.184 -8.655 -3.856) 11.314 9.059 ( 6.184 -8.655 3.856) 11.314 9.207 ( -2.977 -5.706 -5.992) 8.793 9.207 ( -2.977 -5.706 5.992) 8.793 9.498 ( 0.192 6.532 -10.356) 12.246 9.498 ( 0.192 6.532 10.356) 12.246 9.824 ( 6.384 4.502 -4.283) 8.909 9.824 ( 6.384 4.502 4.283) 8.909 10.026 ( 0.778 -2.186 -9.863) 10.132 10.026 ( 0.778 -2.186 9.863) 10.132 10.137 ( 20.930 -3.237 -4.550) 21.662 10.137 ( 20.930 -3.237 4.550) 21.662 10.813 ( -14.295 2.341 -3.220) 14.839 10.813 ( -14.295 2.341 3.220) 14.839 11.075 ( 4.430 2.682 -12.675) 13.692 11.075 ( 4.430 2.682 12.675) 13.692 11.358 ( -1.439 4.354 -8.535) 9.689 11.358 ( -1.439 4.354 8.535) 9.689 11.595 ( 0.246 -2.573 -9.743) 10.079 11.595 ( 0.246 -2.573 9.743) 10.079 11.929 ( -2.141 13.109 -6.709) 14.881 11.929 ( -2.141 13.109 6.709) 14.881 12.185 ( 1.684 5.969 -2.062) 6.536 12.185 ( 1.684 5.969 2.062) 6.536 12.284 ( -4.479 6.151 -5.022) 9.117 12.284 ( -4.479 6.151 5.022) 9.117 12.558 ( 1.487 -3.584 -3.640) 5.320 12.558 ( 1.487 -3.584 3.640) 5.320 12.674 ( -2.961 -8.585 -5.857) 10.806 12.674 ( -2.961 -8.585 5.857) 10.806 13.175 ( 3.762 0.897 -0.864) 3.963 13.175 ( 3.762 0.897 0.864) 3.963 13.272 ( 10.494 -3.014 -7.734) 13.380 13.272 ( 10.494 -3.014 7.734) 13.380 13.585 ( -10.542 -4.439 -6.997) 13.409 13.585 ( -10.542 -4.439 6.997) 13.409 13.963 ( -6.348 -1.498 -2.937) 7.153 13.963 ( -6.348 -1.498 2.937) 7.153 14.228 ( -3.529 0.057 -1.935) 4.025 14.228 ( -3.529 0.057 1.935) 4.025 14.959 ( 2.352 -3.195 -6.364) 7.499 14.959 ( 2.352 -3.195 6.364) 7.499 15.255 ( 4.868 0.935 -2.716) 5.652 15.255 ( 4.868 0.935 2.716) 5.652 ======================= Grid point 261 (83/84) ======================= q-point: (-0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.099 ( 0.000 14.576 -19.596) 24.422 5.099 ( 0.000 14.576 19.596) 24.422 5.437 ( 0.000 5.475 -10.607) 11.936 5.437 ( 0.000 5.475 10.607) 11.936 5.607 ( -0.000 -12.866 -8.357) 15.342 5.607 ( -0.000 -12.866 8.357) 15.342 5.766 ( 0.000 12.599 -7.949) 14.897 5.766 ( 0.000 12.599 7.949) 14.897 5.775 ( -0.000 -6.336 -6.942) 9.399 5.775 ( -0.000 -6.336 6.942) 9.399 6.042 ( -0.000 -3.735 -12.748) 13.284 6.042 ( -0.000 -3.735 12.748) 13.284 6.761 ( -0.000 -9.173 -8.444) 12.468 6.761 ( -0.000 -9.173 8.444) 12.468 7.485 ( 0.000 12.638 -5.027) 13.601 7.485 ( 0.000 12.638 5.027) 13.601 7.823 ( -0.000 -20.678 -10.382) 23.138 7.823 ( -0.000 -20.678 10.382) 23.138 7.988 ( 0.000 3.933 -12.051) 12.677 7.988 ( 0.000 3.933 12.051) 12.677 8.321 ( -0.000 -2.205 -16.818) 16.962 8.321 ( -0.000 -2.205 16.818) 16.962 8.331 ( 0.000 2.003 -4.142) 4.601 8.331 ( 0.000 2.003 4.142) 4.601 8.702 ( 0.000 6.166 -6.239) 8.772 8.702 ( 0.000 6.166 6.239) 8.772 8.901 ( -0.000 -10.694 -10.076) 14.693 8.901 ( -0.000 -10.694 10.076) 14.693 9.168 ( 0.000 2.936 -8.112) 8.627 9.168 ( 0.000 2.936 8.112) 8.627 9.343 ( -0.000 -14.442 -15.243) 20.998 9.343 ( -0.000 -14.442 15.243) 20.998 9.383 ( 0.000 5.022 -12.068) 13.071 9.383 ( 0.000 5.022 12.068) 13.071 9.763 ( 0.000 9.425 -4.149) 10.298 9.763 ( 0.000 9.425 4.149) 10.298 10.101 ( -0.000 -6.246 -15.669) 16.868 10.101 ( -0.000 -6.246 15.669) 16.868 10.379 ( -0.000 -0.675 -1.749) 1.874 10.379 ( -0.000 -0.675 1.749) 1.874 10.637 ( -0.000 -2.583 -9.216) 9.571 10.637 ( -0.000 -2.583 9.216) 9.571 11.075 ( 0.000 3.962 -15.588) 16.083 11.075 ( 0.000 3.962 15.588) 16.083 11.233 ( 0.000 6.749 -10.217) 12.245 11.233 ( 0.000 6.749 10.217) 12.245 11.634 ( 0.000 20.078 -5.999) 20.955 11.634 ( 0.000 20.078 5.999) 20.955 11.680 ( -0.000 -6.410 -5.074) 8.175 11.680 ( -0.000 -6.410 5.074) 8.175 12.142 ( 0.000 5.053 -5.528) 7.490 12.142 ( 0.000 5.053 5.528) 7.490 12.143 ( 0.000 2.803 -0.717) 2.894 12.143 ( 0.000 2.803 0.717) 2.894 12.574 ( 0.000 2.287 -5.369) 5.836 12.574 ( 0.000 2.287 5.369) 5.836 12.787 ( -0.000 -6.340 -6.889) 9.362 12.787 ( -0.000 -6.340 6.889) 9.362 13.170 ( 0.000 2.559 -2.975) 3.925 13.170 ( 0.000 2.559 2.975) 3.925 13.486 ( -0.000 -4.088 -7.678) 8.698 13.486 ( -0.000 -4.088 7.678) 8.698 13.486 ( -0.000 -2.907 -10.263) 10.666 13.486 ( -0.000 -2.907 10.263) 10.666 13.987 ( -0.000 -7.097 -2.908) 7.670 13.987 ( -0.000 -7.097 2.908) 7.670 14.202 ( 0.000 1.239 -4.916) 5.069 14.202 ( 0.000 1.239 4.916) 5.069 15.040 ( -0.000 -4.122 -6.419) 7.628 15.040 ( -0.000 -4.122 6.419) 7.628 15.272 ( 0.000 0.635 -4.192) 4.240 15.272 ( 0.000 0.635 4.192) 4.240 ======================= Grid point 277 (84/84) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 8.24e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.007 ( 0.000 -0.000 -0.537) 0.537 5.007 ( 0.000 -0.000 0.537) 0.537 5.281 ( -0.000 0.000 -10.758) 10.758 5.281 ( -0.000 0.000 10.758) 10.758 5.487 ( 0.000 -0.000 -5.624) 5.624 5.487 ( 0.000 -0.000 5.624) 5.624 5.892 ( -0.000 0.000 -12.340) 12.340 5.892 ( -0.000 0.000 12.340) 12.340 6.155 ( 0.000 -0.000 -3.246) 3.246 6.155 ( 0.000 -0.000 3.246) 3.246 6.302 ( 0.000 -0.000 -6.989) 6.989 6.302 ( 0.000 -0.000 6.989) 6.989 6.657 ( 0.000 -0.000 -3.519) 3.519 6.657 ( 0.000 -0.000 3.519) 3.519 7.068 ( 0.000 -0.000 -14.548) 14.548 7.068 ( 0.000 -0.000 14.548) 14.548 7.742 ( 0.000 -0.000 -0.535) 0.535 7.742 ( 0.000 -0.000 0.535) 0.535 8.121 ( 0.000 -0.000 -7.508) 7.508 8.121 ( 0.000 -0.000 7.508) 7.508 8.305 ( -0.000 0.000 -17.701) 17.701 8.305 ( 0.000 -0.000 17.701) 17.701 8.327 ( 0.000 -0.000 -22.470) 22.470 8.327 ( -0.000 0.000 22.470) 22.470 8.686 ( 0.000 -0.000 -12.306) 12.306 8.686 ( 0.000 -0.000 12.306) 12.306 8.881 ( 0.000 -0.000 -9.840) 9.840 8.881 ( 0.000 -0.000 9.840) 9.840 9.017 ( 0.000 -0.000 -1.270) 1.270 9.017 ( 0.000 -0.000 1.270) 1.270 9.137 ( -0.000 0.000 -6.002) 6.002 9.137 ( -0.000 0.000 6.002) 6.002 9.569 ( 0.000 -0.000 -9.019) 9.019 9.569 ( 0.000 -0.000 9.019) 9.019 9.882 ( 0.000 -0.000 -6.498) 6.498 9.882 ( 0.000 -0.000 6.498) 6.498 9.982 ( 0.000 -0.000 -8.791) 8.791 9.982 ( -0.000 0.000 8.791) 8.791 10.378 ( 0.000 -0.000 -0.329) 0.329 10.378 ( 0.000 -0.000 0.329) 0.329 10.650 ( -0.000 0.000 -11.329) 11.329 10.650 ( -0.000 0.000 11.329) 11.329 11.116 ( 0.000 -0.000 -15.266) 15.266 11.116 ( 0.000 -0.000 15.266) 15.266 11.404 ( 0.000 -0.000 -10.725) 10.725 11.404 ( 0.000 -0.000 10.725) 10.725 11.566 ( 0.000 -0.000 -12.104) 12.104 11.566 ( 0.000 -0.000 12.104) 12.104 12.003 ( 0.000 -0.000 -8.048) 8.048 12.003 ( 0.000 -0.000 8.048) 8.048 12.281 ( 0.000 -0.000 -7.706) 7.706 12.281 ( 0.000 -0.000 7.706) 7.706 12.340 ( 0.000 -0.000 -4.656) 4.656 12.340 ( 0.000 -0.000 4.656) 4.656 12.524 ( 0.000 -0.000 -6.771) 6.771 12.524 ( 0.000 -0.000 6.771) 6.771 12.553 ( -0.000 0.000 -1.788) 1.788 12.553 ( 0.000 -0.000 1.788) 1.788 13.207 ( 0.000 -0.000 -1.167) 1.167 13.207 ( 0.000 -0.000 1.167) 1.167 13.346 ( 0.000 -0.000 -8.579) 8.579 13.346 ( -0.000 0.000 8.579) 8.579 13.457 ( -0.000 0.000 -13.729) 13.729 13.457 ( 0.000 -0.000 13.729) 13.729 13.890 ( -0.000 0.000 -5.647) 5.647 13.890 ( 0.000 -0.000 5.647) 5.647 14.214 ( 0.000 -0.000 -0.829) 0.829 14.214 ( 0.000 -0.000 0.829) 0.829 14.946 ( 0.000 -0.000 -6.995) 6.995 14.946 ( 0.000 -0.000 6.995) 6.995 15.294 ( 0.000 -0.000 -2.467) 2.467 15.294 ( 0.000 -0.000 2.467) 2.467 =================== 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 3/27648 10.0 3551.328 5428.567 2647.374 0.000 0.000 -0.000 3/27648 20.0 9058.091 11202.946 7091.564 0.000 0.000 -0.000 3/27648 30.0 4942.102 5391.616 4350.479 0.000 0.000 -0.000 3/27648 40.0 2232.225 2395.529 2147.357 0.000 0.000 -0.000 3/27648 50.0 1054.232 1131.224 1074.086 0.000 0.000 -0.000 3/27648 60.0 562.294 604.470 596.950 0.000 0.000 -0.000 3/27648 70.0 338.118 364.023 369.579 0.000 0.000 -0.000 3/27648 80.0 224.322 241.657 250.165 0.000 0.000 -0.000 3/27648 90.0 160.722 173.084 181.650 0.000 0.000 -0.000 3/27648 100.0 122.229 131.458 139.309 0.000 0.000 -0.000 3/27648 110.0 97.361 104.481 111.489 0.000 0.000 -0.000 3/27648 120.0 80.410 86.035 92.262 0.000 0.000 -0.000 3/27648 130.0 68.328 72.848 78.401 0.000 0.000 -0.000 3/27648 140.0 59.387 63.067 68.048 0.000 0.000 -0.000 3/27648 150.0 52.557 55.581 60.082 0.000 0.000 -0.000 3/27648 160.0 47.195 49.698 53.794 0.000 0.000 -0.000 3/27648 170.0 42.886 44.970 48.722 0.000 0.000 -0.000 3/27648 180.0 39.352 41.095 44.552 0.000 0.000 -0.000 3/27648 190.0 36.404 37.864 41.068 0.000 0.000 -0.000 3/27648 200.0 33.906 35.132 38.115 0.000 0.000 -0.000 3/27648 210.0 31.762 32.791 35.581 0.000 0.000 -0.000 3/27648 220.0 29.899 30.763 33.383 0.000 0.000 -0.000 3/27648 230.0 28.265 28.989 31.458 0.000 0.000 -0.000 3/27648 240.0 26.817 27.422 29.757 0.000 0.000 -0.000 3/27648 250.0 25.526 26.028 28.242 0.000 0.000 -0.000 3/27648 260.0 24.365 24.779 26.885 0.000 0.000 -0.000 3/27648 270.0 23.315 23.654 25.660 0.000 0.000 -0.000 3/27648 280.0 22.360 22.633 24.550 0.000 0.000 -0.000 3/27648 290.0 21.487 21.703 23.538 0.000 0.000 -0.000 3/27648 300.0 20.685 20.852 22.612 0.000 0.000 -0.000 3/27648 310.0 19.946 20.069 21.760 0.000 0.000 -0.000 3/27648 320.0 19.262 19.347 20.974 0.000 0.000 -0.000 3/27648 330.0 18.626 18.678 20.246 0.000 0.000 -0.000 3/27648 340.0 18.034 18.057 19.570 0.000 0.000 -0.000 3/27648 350.0 17.481 17.478 18.941 0.000 0.000 -0.000 3/27648 360.0 16.963 16.938 18.352 0.000 0.000 -0.000 3/27648 370.0 16.477 16.431 17.802 0.000 0.000 -0.000 3/27648 380.0 16.019 15.956 17.284 0.000 0.000 -0.000 3/27648 390.0 15.587 15.509 16.798 0.000 0.000 -0.000 3/27648 400.0 15.180 15.087 16.339 0.000 0.000 -0.000 3/27648 410.0 14.793 14.689 15.907 0.000 0.000 -0.000 3/27648 420.0 14.427 14.312 15.497 0.000 0.000 -0.000 3/27648 430.0 14.080 13.955 15.109 0.000 0.000 -0.000 3/27648 440.0 13.749 13.616 14.740 0.000 0.000 -0.000 3/27648 450.0 13.435 13.294 14.390 0.000 0.000 -0.000 3/27648 460.0 13.135 12.988 14.057 0.000 0.000 -0.000 3/27648 470.0 12.848 12.695 13.740 0.000 0.000 -0.000 3/27648 480.0 12.574 12.416 13.437 0.000 0.000 -0.000 3/27648 490.0 12.312 12.150 13.147 0.000 0.000 -0.000 3/27648 500.0 12.061 11.895 12.870 0.000 0.000 -0.000 3/27648 510.0 11.820 11.651 12.605 0.000 0.000 -0.000 3/27648 520.0 11.589 11.417 12.351 0.000 0.000 -0.000 3/27648 530.0 11.367 11.192 12.107 0.000 0.000 -0.000 3/27648 540.0 11.154 10.977 11.874 0.000 0.000 -0.000 3/27648 550.0 10.949 10.770 11.649 0.000 0.000 -0.000 3/27648 560.0 10.751 10.570 11.433 0.000 0.000 -0.000 3/27648 570.0 10.561 10.379 11.224 0.000 0.000 -0.000 3/27648 580.0 10.377 10.194 11.024 0.000 0.000 -0.000 3/27648 590.0 10.199 10.016 10.831 0.000 0.000 -0.000 3/27648 600.0 10.028 9.844 10.644 0.000 0.000 -0.000 3/27648 610.0 9.863 9.678 10.464 0.000 0.000 -0.000 3/27648 620.0 9.703 9.518 10.290 0.000 0.000 -0.000 3/27648 630.0 9.548 9.363 10.122 0.000 0.000 -0.000 3/27648 640.0 9.398 9.213 9.960 0.000 0.000 -0.000 3/27648 650.0 9.253 9.068 9.802 0.000 0.000 -0.000 3/27648 660.0 9.112 8.927 9.650 0.000 0.000 -0.000 3/27648 670.0 8.976 8.791 9.503 0.000 0.000 -0.000 3/27648 680.0 8.844 8.659 9.360 0.000 0.000 -0.000 3/27648 690.0 8.715 8.531 9.221 0.000 0.000 -0.000 3/27648 700.0 8.591 8.407 9.086 0.000 0.000 -0.000 3/27648 710.0 8.469 8.286 8.956 0.000 0.000 -0.000 3/27648 720.0 8.352 8.169 8.829 0.000 0.000 -0.000 3/27648 730.0 8.237 8.055 8.706 0.000 0.000 -0.000 3/27648 740.0 8.126 7.945 8.586 0.000 0.000 -0.000 3/27648 750.0 8.018 7.837 8.469 0.000 0.000 -0.000 3/27648 760.0 7.912 7.733 8.356 0.000 0.000 -0.000 3/27648 770.0 7.810 7.631 8.246 0.000 0.000 -0.000 3/27648 780.0 7.710 7.532 8.138 0.000 0.000 -0.000 3/27648 790.0 7.612 7.435 8.034 0.000 0.000 -0.000 3/27648 800.0 7.517 7.341 7.932 0.000 0.000 -0.000 3/27648 810.0 7.425 7.249 7.833 0.000 0.000 -0.000 3/27648 820.0 7.334 7.160 7.736 0.000 0.000 -0.000 3/27648 830.0 7.246 7.073 7.641 0.000 0.000 -0.000 3/27648 840.0 7.160 6.988 7.549 0.000 0.000 -0.000 3/27648 850.0 7.076 6.905 7.459 0.000 0.000 -0.000 3/27648 860.0 6.994 6.824 7.372 0.000 0.000 -0.000 3/27648 870.0 6.914 6.744 7.286 0.000 0.000 -0.000 3/27648 880.0 6.836 6.667 7.202 0.000 0.000 -0.000 3/27648 890.0 6.759 6.592 7.121 0.000 0.000 -0.000 3/27648 900.0 6.684 6.518 7.041 0.000 0.000 -0.000 3/27648 910.0 6.611 6.446 6.962 0.000 0.000 -0.000 3/27648 920.0 6.540 6.375 6.886 0.000 0.000 -0.000 3/27648 930.0 6.470 6.306 6.811 0.000 0.000 -0.000 3/27648 940.0 6.401 6.238 6.738 0.000 0.000 -0.000 3/27648 950.0 6.334 6.172 6.667 0.000 0.000 -0.000 3/27648 960.0 6.268 6.108 6.597 0.000 0.000 -0.000 3/27648 970.0 6.204 6.044 6.528 0.000 0.000 -0.000 3/27648 980.0 6.141 5.982 6.461 0.000 0.000 -0.000 3/27648 990.0 6.079 5.921 6.395 0.000 0.000 -0.000 3/27648 1000.0 6.019 5.862 6.331 0.000 0.000 -0.000 3/27648 Thermal conductivity related properties were written into "kappa-m886.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:01:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|