----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:23:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.315574823859016 0.000000000000000 0.000000000000000 b 0.000000000000000 10.998244780000002 0.000000000000000 c -2.028845857772330 0.000000000000000 6.144985439317819 Atomic positions (fractional): *1 Sn 0.19111106012966 0.25000000000000 0.95757774302510 118.710 2 Sn 0.80888893987034 0.75000000000000 0.04242225697490 118.710 *3 Ag 0.57366879756668 0.25000000000000 0.32458234702012 107.868 4 Ag 0.42633120243332 0.75000000000000 0.67541765297988 107.868 *5 Ag 0.19172915577215 0.10255863398116 0.31433447904114 107.868 6 Ag 0.80827084422785 0.60255863398116 0.68566552095886 107.868 7 Ag 0.80827084422785 0.89744136601884 0.68566552095886 107.868 8 Ag 0.19172915577215 0.39744136601884 0.31433447904114 107.868 *9 P 0.66663443784624 0.07910466720923 0.84012129234415 30.974 10 P 0.33336556215376 0.57910466720923 0.15987870765585 30.974 11 P 0.33336556215376 0.92089533279077 0.15987870765585 30.974 12 P 0.66663443784624 0.42089533279077 0.84012129234415 30.974 *13 P 0.78055594100364 0.09086503848754 0.19642478390880 30.974 14 P 0.21944405899636 0.59086503848754 0.80357521609120 30.974 15 P 0.21944405899636 0.90913496151246 0.80357521609120 30.974 16 P 0.78055594100364 0.40913496151246 0.19642478390880 30.974 *17 P 0.30176708681338 0.09036366876238 0.71249090981331 30.974 18 P 0.69823291318662 0.59036366876238 0.28750909018669 30.974 19 P 0.69823291318662 0.90963633123762 0.28750909018669 30.974 20 P 0.30176708681338 0.40963633123762 0.71249090981331 30.974 *21 P 0.76783067430820 0.25000000000000 0.72149761449677 30.974 22 P 0.23216932569180 0.75000000000000 0.27850238550323 30.974 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.315574823859016 0.000000000000000 0.000000000000000 b 0.000000000000000 10.998244780000002 0.000000000000000 c -2.028845857772330 0.000000000000000 6.144985439317819 Atomic positions (fractional): *1 Sn 0.19111106012966 0.25000000000000 0.95757774302510 118.710 > 1 2 Sn 0.80888893987034 0.75000000000000 0.04242225697490 118.710 > 2 *3 Ag 0.57366879756668 0.25000000000000 0.32458234702012 107.868 > 3 4 Ag 0.42633120243332 0.75000000000000 0.67541765297988 107.868 > 4 *5 Ag 0.19172915577215 0.10255863398116 0.31433447904114 107.868 > 5 6 Ag 0.80827084422785 0.60255863398116 0.68566552095886 107.868 > 6 7 Ag 0.80827084422785 0.89744136601884 0.68566552095886 107.868 > 7 8 Ag 0.19172915577215 0.39744136601884 0.31433447904114 107.868 > 8 *9 P 0.66663443784624 0.07910466720923 0.84012129234415 30.974 > 9 10 P 0.33336556215376 0.57910466720923 0.15987870765585 30.974 > 10 11 P 0.33336556215376 0.92089533279077 0.15987870765585 30.974 > 11 12 P 0.66663443784624 0.42089533279077 0.84012129234415 30.974 > 12 *13 P 0.78055594100364 0.09086503848754 0.19642478390880 30.974 > 13 14 P 0.21944405899636 0.59086503848754 0.80357521609120 30.974 > 14 15 P 0.21944405899636 0.90913496151246 0.80357521609120 30.974 > 15 16 P 0.78055594100364 0.40913496151246 0.19642478390880 30.974 > 16 *17 P 0.30176708681338 0.09036366876238 0.71249090981331 30.974 > 17 18 P 0.69823291318662 0.59036366876238 0.28750909018669 30.974 > 18 19 P 0.69823291318662 0.90963633123762 0.28750909018669 30.974 > 19 20 P 0.30176708681338 0.40963633123762 0.71249090981331 30.974 > 20 *21 P 0.76783067430820 0.25000000000000 0.72149761449677 30.974 > 21 22 P 0.23216932569180 0.75000000000000 0.27850238550323 30.974 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.631149647718033 0.000000000000000 0.000000000000000 b 0.000000000000000 10.998244780000002 0.000000000000000 c -4.057691715544660 0.000000000000000 12.289970878635637 Atomic positions (fractional): *1 Sn 0.09555553006483 0.25000000000000 0.47878887151255 118.710 > 1 2 Sn 0.59555553006483 0.25000000000000 0.47878887151255 118.710 > 1 3 Sn 0.09555553006483 0.25000000000000 0.97878887151255 118.710 > 1 4 Sn 0.59555553006483 0.25000000000000 0.97878887151255 118.710 > 1 5 Sn 0.40444446993517 0.75000000000000 0.02121112848745 118.710 > 2 6 Sn 0.90444446993517 0.75000000000000 0.02121112848745 118.710 > 2 7 Sn 0.40444446993517 0.75000000000000 0.52121112848745 118.710 > 2 8 Sn 0.90444446993517 0.75000000000000 0.52121112848745 118.710 > 2 *9 Ag 0.28683439878334 0.25000000000000 0.16229117351006 107.868 > 3 10 Ag 0.78683439878334 0.25000000000000 0.16229117351006 107.868 > 3 11 Ag 0.28683439878334 0.25000000000000 0.66229117351006 107.868 > 3 12 Ag 0.78683439878334 0.25000000000000 0.66229117351006 107.868 > 3 13 Ag 0.21316560121666 0.75000000000000 0.33770882648994 107.868 > 4 14 Ag 0.71316560121666 0.75000000000000 0.33770882648994 107.868 > 4 15 Ag 0.21316560121666 0.75000000000000 0.83770882648994 107.868 > 4 16 Ag 0.71316560121666 0.75000000000000 0.83770882648994 107.868 > 4 *17 Ag 0.09586457788608 0.10255863398116 0.15716723952057 107.868 > 5 18 Ag 0.59586457788608 0.10255863398116 0.15716723952057 107.868 > 5 19 Ag 0.09586457788608 0.10255863398116 0.65716723952057 107.868 > 5 20 Ag 0.59586457788608 0.10255863398116 0.65716723952057 107.868 > 5 21 Ag 0.40413542211392 0.60255863398116 0.34283276047943 107.868 > 6 22 Ag 0.90413542211392 0.60255863398116 0.34283276047943 107.868 > 6 23 Ag 0.40413542211392 0.60255863398116 0.84283276047943 107.868 > 6 24 Ag 0.90413542211392 0.60255863398116 0.84283276047943 107.868 > 6 25 Ag 0.40413542211392 0.89744136601884 0.34283276047943 107.868 > 7 26 Ag 0.90413542211392 0.89744136601884 0.34283276047943 107.868 > 7 27 Ag 0.40413542211392 0.89744136601884 0.84283276047943 107.868 > 7 28 Ag 0.90413542211392 0.89744136601884 0.84283276047943 107.868 > 7 29 Ag 0.09586457788608 0.39744136601884 0.15716723952057 107.868 > 8 30 Ag 0.59586457788608 0.39744136601884 0.15716723952057 107.868 > 8 31 Ag 0.09586457788608 0.39744136601884 0.65716723952057 107.868 > 8 32 Ag 0.59586457788608 0.39744136601884 0.65716723952057 107.868 > 8 *33 P 0.33331721892312 0.07910466720923 0.42006064617207 30.974 > 9 34 P 0.83331721892312 0.07910466720923 0.42006064617207 30.974 > 9 35 P 0.33331721892312 0.07910466720923 0.92006064617207 30.974 > 9 36 P 0.83331721892312 0.07910466720923 0.92006064617207 30.974 > 9 37 P 0.16668278107688 0.57910466720923 0.07993935382793 30.974 > 10 38 P 0.66668278107688 0.57910466720923 0.07993935382793 30.974 > 10 39 P 0.16668278107688 0.57910466720923 0.57993935382793 30.974 > 10 40 P 0.66668278107688 0.57910466720923 0.57993935382793 30.974 > 10 41 P 0.16668278107688 0.92089533279077 0.07993935382793 30.974 > 11 42 P 0.66668278107688 0.92089533279077 0.07993935382793 30.974 > 11 43 P 0.16668278107688 0.92089533279077 0.57993935382793 30.974 > 11 44 P 0.66668278107688 0.92089533279077 0.57993935382793 30.974 > 11 45 P 0.33331721892312 0.42089533279077 0.42006064617207 30.974 > 12 46 P 0.83331721892312 0.42089533279077 0.42006064617207 30.974 > 12 47 P 0.33331721892312 0.42089533279077 0.92006064617207 30.974 > 12 48 P 0.83331721892312 0.42089533279077 0.92006064617207 30.974 > 12 *49 P 0.39027797050182 0.09086503848754 0.09821239195440 30.974 > 13 50 P 0.89027797050182 0.09086503848754 0.09821239195440 30.974 > 13 51 P 0.39027797050182 0.09086503848754 0.59821239195440 30.974 > 13 52 P 0.89027797050182 0.09086503848754 0.59821239195440 30.974 > 13 53 P 0.10972202949818 0.59086503848754 0.40178760804560 30.974 > 14 54 P 0.60972202949818 0.59086503848754 0.40178760804560 30.974 > 14 55 P 0.10972202949818 0.59086503848754 0.90178760804560 30.974 > 14 56 P 0.60972202949818 0.59086503848754 0.90178760804560 30.974 > 14 57 P 0.10972202949818 0.90913496151246 0.40178760804560 30.974 > 15 58 P 0.60972202949818 0.90913496151246 0.40178760804560 30.974 > 15 59 P 0.10972202949818 0.90913496151246 0.90178760804560 30.974 > 15 60 P 0.60972202949818 0.90913496151246 0.90178760804560 30.974 > 15 61 P 0.39027797050182 0.40913496151246 0.09821239195440 30.974 > 16 62 P 0.89027797050182 0.40913496151246 0.09821239195440 30.974 > 16 63 P 0.39027797050182 0.40913496151246 0.59821239195440 30.974 > 16 64 P 0.89027797050182 0.40913496151246 0.59821239195440 30.974 > 16 *65 P 0.15088354340669 0.09036366876238 0.35624545490665 30.974 > 17 66 P 0.65088354340669 0.09036366876238 0.35624545490665 30.974 > 17 67 P 0.15088354340669 0.09036366876238 0.85624545490665 30.974 > 17 68 P 0.65088354340669 0.09036366876238 0.85624545490665 30.974 > 17 69 P 0.34911645659331 0.59036366876238 0.14375454509335 30.974 > 18 70 P 0.84911645659331 0.59036366876238 0.14375454509335 30.974 > 18 71 P 0.34911645659331 0.59036366876238 0.64375454509335 30.974 > 18 72 P 0.84911645659331 0.59036366876238 0.64375454509335 30.974 > 18 73 P 0.34911645659331 0.90963633123762 0.14375454509335 30.974 > 19 74 P 0.84911645659331 0.90963633123762 0.14375454509335 30.974 > 19 75 P 0.34911645659331 0.90963633123762 0.64375454509335 30.974 > 19 76 P 0.84911645659331 0.90963633123762 0.64375454509335 30.974 > 19 77 P 0.15088354340669 0.40963633123762 0.35624545490665 30.974 > 20 78 P 0.65088354340669 0.40963633123762 0.35624545490665 30.974 > 20 79 P 0.15088354340669 0.40963633123762 0.85624545490665 30.974 > 20 80 P 0.65088354340669 0.40963633123762 0.85624545490665 30.974 > 20 *81 P 0.38391533715410 0.25000000000000 0.36074880724839 30.974 > 21 82 P 0.88391533715410 0.25000000000000 0.36074880724839 30.974 > 21 83 P 0.38391533715410 0.25000000000000 0.86074880724839 30.974 > 21 84 P 0.88391533715410 0.25000000000000 0.86074880724839 30.974 > 21 85 P 0.11608466284590 0.75000000000000 0.13925119275161 30.974 > 22 86 P 0.61608466284590 0.75000000000000 0.13925119275161 30.974 > 22 87 P 0.11608466284590 0.75000000000000 0.63925119275161 30.974 > 22 88 P 0.61608466284590 0.75000000000000 0.63925119275161 30.974 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 16.8764618 0.0000000 0.7040998 0.0000000 21.3508191 0.0000000 0.7040524 0.0000000 16.5834192 -------------------------- Born effective charges -------------------------- 1 Sn 3.1143996 0.0000000 0.4254819 0.0000000 2.1069337 0.0000000 0.0984185 0.0000000 1.9243918 2 Sn 3.1143996 0.0000000 0.4254819 0.0000000 2.1069337 0.0000000 0.0984185 0.0000000 1.9243918 3 Ag 0.3521282 0.0000000 0.0015858 0.0000000 0.1341244 0.0000000 0.0764761 0.0000000 0.2291417 4 Ag 0.3521282 0.0000000 0.0015858 0.0000000 0.1341244 0.0000000 0.0764761 0.0000000 0.2291417 5 Ag 0.3384278 0.0497239 0.1136000 -0.0222449 0.6174711 -0.0516250 -0.0269638 -0.0472233 0.2646895 6 Ag 0.3384278 -0.0497239 0.1136000 0.0222449 0.6174711 0.0516250 -0.0269638 0.0472233 0.2646895 7 Ag 0.3384278 0.0497239 0.1136000 -0.0222449 0.6174711 -0.0516250 -0.0269638 -0.0472233 0.2646895 8 Ag 0.3384278 -0.0497239 0.1136000 0.0222449 0.6174711 0.0516250 -0.0269638 0.0472233 0.2646895 9 P -0.4096301 0.3007901 0.4372886 -0.0600014 -0.8699798 0.1337943 0.3407009 0.1643802 -0.1369133 10 P -0.4096301 -0.3007901 0.4372886 0.0600014 -0.8699798 -0.1337943 0.3407009 -0.1643802 -0.1369133 11 P -0.4096301 0.3007901 0.4372886 -0.0600014 -0.8699798 0.1337943 0.3407009 0.1643802 -0.1369133 12 P -0.4096301 -0.3007901 0.4372886 0.0600014 -0.8699798 -0.1337943 0.3407009 -0.1643802 -0.1369133 13 P -0.5925915 -0.3067180 -0.0455637 -0.1064132 -0.8819889 0.1171930 -0.0598501 -0.0255618 -1.2209859 14 P -0.5925915 0.3067180 -0.0455637 0.1064132 -0.8819889 -0.1171930 -0.0598501 0.0255618 -1.2209859 15 P -0.5925915 -0.3067180 -0.0455637 -0.1064132 -0.8819889 0.1171930 -0.0598501 -0.0255618 -1.2209859 16 P -0.5925915 0.3067180 -0.0455637 0.1064132 -0.8819889 -0.1171930 -0.0598501 0.0255618 -1.2209859 17 P -0.6771616 0.5012214 -0.3727605 0.1147557 -0.3136630 -0.2431723 -0.0789343 -0.1773002 -0.1370752 18 P -0.6771616 -0.5012214 -0.3727605 -0.1147557 -0.3136630 0.2431723 -0.0789343 0.1773002 -0.1370752 19 P -0.6771616 0.5012214 -0.3727605 0.1147557 -0.3136630 -0.2431723 -0.0789343 -0.1773002 -0.1370752 20 P -0.6771616 -0.5012214 -0.3727605 -0.1147557 -0.3136630 0.2431723 -0.0789343 0.1773002 -0.1370752 21 P -0.7846171 0.0000000 -0.6921964 0.0000000 0.6552632 0.0000000 -0.5248003 0.0000000 0.3070365 22 P -0.7846171 0.0000000 -0.6921964 0.0000000 0.6552632 0.0000000 -0.5248003 0.0000000 0.3070365 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 8976/8976 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2328 Number of blocks in projector: 2328 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: 520 Use submatrix version of eigh solver. (1) Block: 520 / 520 (2) Block: 250 / 520 (2) 237 eigenvectors found. (2) Block: 520 / 520 (2) 261 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 507 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 304 Use standard eigh solver. Tree of FC basis block matrices: - (2328, 2278), data: False |-- (304, 297), data: True |-- (304, 297), data: True |-- (304, 297), data: True |-- (448, 440), data: True |-- (448, 440), data: True |-- (520, 507), data: False |-- (520, 507), data: False |-- (520, 9), data: (520, 22) @ (22, 9) |-- (270, 261), data: True |-- (250, 237), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.591 Solver_block: 200 / 720 - Time: 0.506 Solver_block: 300 / 720 - Time: 0.507 Solver_block: 400 / 720 - Time: 0.505 Solver_block: 500 / 720 - Time: 0.507 Solver_block: 600 / 720 - Time: 0.509 Solver_block: 700 / 720 - Time: 0.505 Solver_block: 720 / 720 - Time: 0.189 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.986 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 264/264 Permutation basis: 8976/8976 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2328 Number of blocks in projector: 2328 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: 520 Use submatrix version of eigh solver. (1) Block: 520 / 520 (2) Block: 250 / 520 (2) 237 eigenvectors found. (2) Block: 520 / 520 (2) 261 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 507 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 304 Use standard eigh solver. Tree of FC basis block matrices: - (2328, 2278), data: False |-- (304, 297), data: True |-- (304, 297), data: True |-- (304, 297), data: True |-- (448, 440), data: True |-- (448, 440), data: True |-- (520, 507), data: False |-- (520, 507), data: False |-- (520, 9), data: (520, 22) @ (22, 9) |-- (270, 261), data: True |-- (250, 237), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:24:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:24:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.315574823859016 0.000000000000000 0.000000000000000 b 0.000000000000000 10.998244780000002 0.000000000000000 c -2.028845857772330 0.000000000000000 6.144985439317819 Atomic positions (fractional): 1 Sn 0.19111106012966 0.25000000000000 0.95757774302510 118.710 2 Sn 0.80888893987034 0.75000000000000 0.04242225697490 118.710 3 Ag 0.57366879756668 0.25000000000000 0.32458234702012 107.868 4 Ag 0.42633120243332 0.75000000000000 0.67541765297988 107.868 5 Ag 0.19172915577215 0.10255863398116 0.31433447904114 107.868 6 Ag 0.80827084422785 0.60255863398116 0.68566552095886 107.868 7 Ag 0.80827084422785 0.89744136601884 0.68566552095886 107.868 8 Ag 0.19172915577215 0.39744136601884 0.31433447904114 107.868 9 P 0.66663443784624 0.07910466720923 0.84012129234415 30.974 10 P 0.33336556215376 0.57910466720923 0.15987870765585 30.974 11 P 0.33336556215376 0.92089533279077 0.15987870765585 30.974 12 P 0.66663443784624 0.42089533279077 0.84012129234415 30.974 13 P 0.78055594100364 0.09086503848754 0.19642478390880 30.974 14 P 0.21944405899636 0.59086503848754 0.80357521609120 30.974 15 P 0.21944405899636 0.90913496151246 0.80357521609120 30.974 16 P 0.78055594100364 0.40913496151246 0.19642478390880 30.974 17 P 0.30176708681338 0.09036366876238 0.71249090981331 30.974 18 P 0.69823291318662 0.59036366876238 0.28750909018669 30.974 19 P 0.69823291318662 0.90963633123762 0.28750909018669 30.974 20 P 0.30176708681338 0.40963633123762 0.71249090981331 30.974 21 P 0.76783067430820 0.25000000000000 0.72149761449677 30.974 22 P 0.23216932569180 0.75000000000000 0.27850238550323 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.631149647718033 0.000000000000000 0.000000000000000 b 0.000000000000000 10.998244780000002 0.000000000000000 c -4.057691715544660 0.000000000000000 12.289970878635637 Atomic positions (fractional): 1 Sn 0.09555553006483 0.25000000000000 0.47878887151255 118.710 > 1 2 Sn 0.59555553006483 0.25000000000000 0.47878887151255 118.710 > 1 3 Sn 0.09555553006483 0.25000000000000 0.97878887151255 118.710 > 1 4 Sn 0.59555553006483 0.25000000000000 0.97878887151255 118.710 > 1 5 Sn 0.40444446993517 0.75000000000000 0.02121112848745 118.710 > 5 6 Sn 0.90444446993517 0.75000000000000 0.02121112848745 118.710 > 5 7 Sn 0.40444446993517 0.75000000000000 0.52121112848745 118.710 > 5 8 Sn 0.90444446993517 0.75000000000000 0.52121112848745 118.710 > 5 9 Ag 0.28683439878334 0.25000000000000 0.16229117351006 107.868 > 9 10 Ag 0.78683439878334 0.25000000000000 0.16229117351006 107.868 > 9 11 Ag 0.28683439878334 0.25000000000000 0.66229117351006 107.868 > 9 12 Ag 0.78683439878334 0.25000000000000 0.66229117351006 107.868 > 9 13 Ag 0.21316560121666 0.75000000000000 0.33770882648994 107.868 > 13 14 Ag 0.71316560121666 0.75000000000000 0.33770882648994 107.868 > 13 15 Ag 0.21316560121666 0.75000000000000 0.83770882648994 107.868 > 13 16 Ag 0.71316560121666 0.75000000000000 0.83770882648994 107.868 > 13 17 Ag 0.09586457788608 0.10255863398116 0.15716723952057 107.868 > 17 18 Ag 0.59586457788608 0.10255863398116 0.15716723952057 107.868 > 17 19 Ag 0.09586457788608 0.10255863398116 0.65716723952057 107.868 > 17 20 Ag 0.59586457788608 0.10255863398116 0.65716723952057 107.868 > 17 21 Ag 0.40413542211392 0.60255863398116 0.34283276047943 107.868 > 21 22 Ag 0.90413542211392 0.60255863398116 0.34283276047943 107.868 > 21 23 Ag 0.40413542211392 0.60255863398116 0.84283276047943 107.868 > 21 24 Ag 0.90413542211392 0.60255863398116 0.84283276047943 107.868 > 21 25 Ag 0.40413542211392 0.89744136601884 0.34283276047943 107.868 > 25 26 Ag 0.90413542211392 0.89744136601884 0.34283276047943 107.868 > 25 27 Ag 0.40413542211392 0.89744136601884 0.84283276047943 107.868 > 25 28 Ag 0.90413542211392 0.89744136601884 0.84283276047943 107.868 > 25 29 Ag 0.09586457788608 0.39744136601884 0.15716723952057 107.868 > 29 30 Ag 0.59586457788608 0.39744136601884 0.15716723952057 107.868 > 29 31 Ag 0.09586457788608 0.39744136601884 0.65716723952057 107.868 > 29 32 Ag 0.59586457788608 0.39744136601884 0.65716723952057 107.868 > 29 33 P 0.33331721892312 0.07910466720923 0.42006064617207 30.974 > 33 34 P 0.83331721892312 0.07910466720923 0.42006064617207 30.974 > 33 35 P 0.33331721892312 0.07910466720923 0.92006064617207 30.974 > 33 36 P 0.83331721892312 0.07910466720923 0.92006064617207 30.974 > 33 37 P 0.16668278107688 0.57910466720923 0.07993935382793 30.974 > 37 38 P 0.66668278107688 0.57910466720923 0.07993935382793 30.974 > 37 39 P 0.16668278107688 0.57910466720923 0.57993935382793 30.974 > 37 40 P 0.66668278107688 0.57910466720923 0.57993935382793 30.974 > 37 41 P 0.16668278107688 0.92089533279077 0.07993935382793 30.974 > 41 42 P 0.66668278107688 0.92089533279077 0.07993935382793 30.974 > 41 43 P 0.16668278107688 0.92089533279077 0.57993935382793 30.974 > 41 44 P 0.66668278107688 0.92089533279077 0.57993935382793 30.974 > 41 45 P 0.33331721892312 0.42089533279077 0.42006064617207 30.974 > 45 46 P 0.83331721892312 0.42089533279077 0.42006064617207 30.974 > 45 47 P 0.33331721892312 0.42089533279077 0.92006064617207 30.974 > 45 48 P 0.83331721892312 0.42089533279077 0.92006064617207 30.974 > 45 49 P 0.39027797050182 0.09086503848754 0.09821239195440 30.974 > 49 50 P 0.89027797050182 0.09086503848754 0.09821239195440 30.974 > 49 51 P 0.39027797050182 0.09086503848754 0.59821239195440 30.974 > 49 52 P 0.89027797050182 0.09086503848754 0.59821239195440 30.974 > 49 53 P 0.10972202949818 0.59086503848754 0.40178760804560 30.974 > 53 54 P 0.60972202949818 0.59086503848754 0.40178760804560 30.974 > 53 55 P 0.10972202949818 0.59086503848754 0.90178760804560 30.974 > 53 56 P 0.60972202949818 0.59086503848754 0.90178760804560 30.974 > 53 57 P 0.10972202949818 0.90913496151246 0.40178760804560 30.974 > 57 58 P 0.60972202949818 0.90913496151246 0.40178760804560 30.974 > 57 59 P 0.10972202949818 0.90913496151246 0.90178760804560 30.974 > 57 60 P 0.60972202949818 0.90913496151246 0.90178760804560 30.974 > 57 61 P 0.39027797050182 0.40913496151246 0.09821239195440 30.974 > 61 62 P 0.89027797050182 0.40913496151246 0.09821239195440 30.974 > 61 63 P 0.39027797050182 0.40913496151246 0.59821239195440 30.974 > 61 64 P 0.89027797050182 0.40913496151246 0.59821239195440 30.974 > 61 65 P 0.15088354340669 0.09036366876238 0.35624545490665 30.974 > 65 66 P 0.65088354340669 0.09036366876238 0.35624545490665 30.974 > 65 67 P 0.15088354340669 0.09036366876238 0.85624545490665 30.974 > 65 68 P 0.65088354340669 0.09036366876238 0.85624545490665 30.974 > 65 69 P 0.34911645659331 0.59036366876238 0.14375454509335 30.974 > 69 70 P 0.84911645659331 0.59036366876238 0.14375454509335 30.974 > 69 71 P 0.34911645659331 0.59036366876238 0.64375454509335 30.974 > 69 72 P 0.84911645659331 0.59036366876238 0.64375454509335 30.974 > 69 73 P 0.34911645659331 0.90963633123762 0.14375454509335 30.974 > 73 74 P 0.84911645659331 0.90963633123762 0.14375454509335 30.974 > 73 75 P 0.34911645659331 0.90963633123762 0.64375454509335 30.974 > 73 76 P 0.84911645659331 0.90963633123762 0.64375454509335 30.974 > 73 77 P 0.15088354340669 0.40963633123762 0.35624545490665 30.974 > 77 78 P 0.65088354340669 0.40963633123762 0.35624545490665 30.974 > 77 79 P 0.15088354340669 0.40963633123762 0.85624545490665 30.974 > 77 80 P 0.65088354340669 0.40963633123762 0.85624545490665 30.974 > 77 81 P 0.38391533715410 0.25000000000000 0.36074880724839 30.974 > 81 82 P 0.88391533715410 0.25000000000000 0.36074880724839 30.974 > 81 83 P 0.38391533715410 0.25000000000000 0.86074880724839 30.974 > 81 84 P 0.88391533715410 0.25000000000000 0.86074880724839 30.974 > 81 85 P 0.11608466284590 0.75000000000000 0.13925119275161 30.974 > 85 86 P 0.61608466284590 0.75000000000000 0.13925119275161 30.974 > 85 87 P 0.11608466284590 0.75000000000000 0.63925119275161 30.974 > 85 88 P 0.61608466284590 0.75000000000000 0.63925119275161 30.974 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 16.8764618 0.0000000 0.7040998 0.0000000 21.3508191 0.0000000 0.7040524 0.0000000 16.5834192 -------------------------- Born effective charges -------------------------- 1 Sn 3.1143996 0.0000000 0.4254819 0.0000000 2.1069337 0.0000000 0.0984185 0.0000000 1.9243918 2 Sn 3.1143996 0.0000000 0.4254819 0.0000000 2.1069337 0.0000000 0.0984185 0.0000000 1.9243918 3 Ag 0.3521282 0.0000000 0.0015858 0.0000000 0.1341244 0.0000000 0.0764761 0.0000000 0.2291417 4 Ag 0.3521282 0.0000000 0.0015858 0.0000000 0.1341244 0.0000000 0.0764761 0.0000000 0.2291417 5 Ag 0.3384278 0.0497239 0.1136000 -0.0222449 0.6174711 -0.0516250 -0.0269638 -0.0472233 0.2646895 6 Ag 0.3384278 -0.0497239 0.1136000 0.0222449 0.6174711 0.0516250 -0.0269638 0.0472233 0.2646895 7 Ag 0.3384278 0.0497239 0.1136000 -0.0222449 0.6174711 -0.0516250 -0.0269638 -0.0472233 0.2646895 8 Ag 0.3384278 -0.0497239 0.1136000 0.0222449 0.6174711 0.0516250 -0.0269638 0.0472233 0.2646895 9 P -0.4096301 0.3007901 0.4372886 -0.0600014 -0.8699798 0.1337943 0.3407009 0.1643802 -0.1369133 10 P -0.4096301 -0.3007901 0.4372886 0.0600014 -0.8699798 -0.1337943 0.3407009 -0.1643802 -0.1369133 11 P -0.4096301 0.3007901 0.4372886 -0.0600014 -0.8699798 0.1337943 0.3407009 0.1643802 -0.1369133 12 P -0.4096301 -0.3007901 0.4372886 0.0600014 -0.8699798 -0.1337943 0.3407009 -0.1643802 -0.1369133 13 P -0.5925915 -0.3067180 -0.0455637 -0.1064132 -0.8819889 0.1171930 -0.0598501 -0.0255618 -1.2209859 14 P -0.5925915 0.3067180 -0.0455637 0.1064132 -0.8819889 -0.1171930 -0.0598501 0.0255618 -1.2209859 15 P -0.5925915 -0.3067180 -0.0455637 -0.1064132 -0.8819889 0.1171930 -0.0598501 -0.0255618 -1.2209859 16 P -0.5925915 0.3067180 -0.0455637 0.1064132 -0.8819889 -0.1171930 -0.0598501 0.0255618 -1.2209859 17 P -0.6771616 0.5012214 -0.3727605 0.1147557 -0.3136630 -0.2431723 -0.0789343 -0.1773002 -0.1370752 18 P -0.6771616 -0.5012214 -0.3727605 -0.1147557 -0.3136630 0.2431723 -0.0789343 0.1773002 -0.1370752 19 P -0.6771616 0.5012214 -0.3727605 0.1147557 -0.3136630 -0.2431723 -0.0789343 -0.1773002 -0.1370752 20 P -0.6771616 -0.5012214 -0.3727605 -0.1147557 -0.3136630 0.2431723 -0.0789343 0.1773002 -0.1370752 21 P -0.7846171 0.0000000 -0.6921964 0.0000000 0.6552632 0.0000000 -0.5248003 0.0000000 0.3070365 22 P -0.7846171 0.0000000 -0.6921964 0.0000000 0.6552632 0.0000000 -0.5248003 0.0000000 0.3070365 ---------------------------------------------------------------------------- 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 33, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000022 (xxx) -0.00000022 (xxx) -0.00000022 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000003 (xz) -0.00000003 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:24:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:24:37]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.315574823859016 0.000000000000000 0.000000000000000 b 0.000000000000000 10.998244780000002 0.000000000000000 c -2.028845857772330 0.000000000000000 6.144985439317819 Atomic positions (fractional): 1 Sn 0.19111106012966 0.25000000000000 0.95757774302510 118.710 2 Sn 0.80888893987034 0.75000000000000 0.04242225697490 118.710 3 Ag 0.57366879756668 0.25000000000000 0.32458234702012 107.868 4 Ag 0.42633120243332 0.75000000000000 0.67541765297988 107.868 5 Ag 0.19172915577215 0.10255863398116 0.31433447904114 107.868 6 Ag 0.80827084422785 0.60255863398116 0.68566552095886 107.868 7 Ag 0.80827084422785 0.89744136601884 0.68566552095886 107.868 8 Ag 0.19172915577215 0.39744136601884 0.31433447904114 107.868 9 P 0.66663443784624 0.07910466720923 0.84012129234415 30.974 10 P 0.33336556215376 0.57910466720923 0.15987870765585 30.974 11 P 0.33336556215376 0.92089533279077 0.15987870765585 30.974 12 P 0.66663443784624 0.42089533279077 0.84012129234415 30.974 13 P 0.78055594100364 0.09086503848754 0.19642478390880 30.974 14 P 0.21944405899636 0.59086503848754 0.80357521609120 30.974 15 P 0.21944405899636 0.90913496151246 0.80357521609120 30.974 16 P 0.78055594100364 0.40913496151246 0.19642478390880 30.974 17 P 0.30176708681338 0.09036366876238 0.71249090981331 30.974 18 P 0.69823291318662 0.59036366876238 0.28750909018669 30.974 19 P 0.69823291318662 0.90963633123762 0.28750909018669 30.974 20 P 0.30176708681338 0.40963633123762 0.71249090981331 30.974 21 P 0.76783067430820 0.25000000000000 0.72149761449677 30.974 22 P 0.23216932569180 0.75000000000000 0.27850238550323 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.631149647718033 0.000000000000000 0.000000000000000 b 0.000000000000000 10.998244780000002 0.000000000000000 c -4.057691715544660 0.000000000000000 12.289970878635637 Atomic positions (fractional): 1 Sn 0.09555553006483 0.25000000000000 0.47878887151255 118.710 > 1 2 Sn 0.59555553006483 0.25000000000000 0.47878887151255 118.710 > 1 3 Sn 0.09555553006483 0.25000000000000 0.97878887151255 118.710 > 1 4 Sn 0.59555553006483 0.25000000000000 0.97878887151255 118.710 > 1 5 Sn 0.40444446993517 0.75000000000000 0.02121112848745 118.710 > 5 6 Sn 0.90444446993517 0.75000000000000 0.02121112848745 118.710 > 5 7 Sn 0.40444446993517 0.75000000000000 0.52121112848745 118.710 > 5 8 Sn 0.90444446993517 0.75000000000000 0.52121112848745 118.710 > 5 9 Ag 0.28683439878334 0.25000000000000 0.16229117351006 107.868 > 9 10 Ag 0.78683439878334 0.25000000000000 0.16229117351006 107.868 > 9 11 Ag 0.28683439878334 0.25000000000000 0.66229117351006 107.868 > 9 12 Ag 0.78683439878334 0.25000000000000 0.66229117351006 107.868 > 9 13 Ag 0.21316560121666 0.75000000000000 0.33770882648994 107.868 > 13 14 Ag 0.71316560121666 0.75000000000000 0.33770882648994 107.868 > 13 15 Ag 0.21316560121666 0.75000000000000 0.83770882648994 107.868 > 13 16 Ag 0.71316560121666 0.75000000000000 0.83770882648994 107.868 > 13 17 Ag 0.09586457788608 0.10255863398116 0.15716723952057 107.868 > 17 18 Ag 0.59586457788608 0.10255863398116 0.15716723952057 107.868 > 17 19 Ag 0.09586457788608 0.10255863398116 0.65716723952057 107.868 > 17 20 Ag 0.59586457788608 0.10255863398116 0.65716723952057 107.868 > 17 21 Ag 0.40413542211392 0.60255863398116 0.34283276047943 107.868 > 21 22 Ag 0.90413542211392 0.60255863398116 0.34283276047943 107.868 > 21 23 Ag 0.40413542211392 0.60255863398116 0.84283276047943 107.868 > 21 24 Ag 0.90413542211392 0.60255863398116 0.84283276047943 107.868 > 21 25 Ag 0.40413542211392 0.89744136601884 0.34283276047943 107.868 > 25 26 Ag 0.90413542211392 0.89744136601884 0.34283276047943 107.868 > 25 27 Ag 0.40413542211392 0.89744136601884 0.84283276047943 107.868 > 25 28 Ag 0.90413542211392 0.89744136601884 0.84283276047943 107.868 > 25 29 Ag 0.09586457788608 0.39744136601884 0.15716723952057 107.868 > 29 30 Ag 0.59586457788608 0.39744136601884 0.15716723952057 107.868 > 29 31 Ag 0.09586457788608 0.39744136601884 0.65716723952057 107.868 > 29 32 Ag 0.59586457788608 0.39744136601884 0.65716723952057 107.868 > 29 33 P 0.33331721892312 0.07910466720923 0.42006064617207 30.974 > 33 34 P 0.83331721892312 0.07910466720923 0.42006064617207 30.974 > 33 35 P 0.33331721892312 0.07910466720923 0.92006064617207 30.974 > 33 36 P 0.83331721892312 0.07910466720923 0.92006064617207 30.974 > 33 37 P 0.16668278107688 0.57910466720923 0.07993935382793 30.974 > 37 38 P 0.66668278107688 0.57910466720923 0.07993935382793 30.974 > 37 39 P 0.16668278107688 0.57910466720923 0.57993935382793 30.974 > 37 40 P 0.66668278107688 0.57910466720923 0.57993935382793 30.974 > 37 41 P 0.16668278107688 0.92089533279077 0.07993935382793 30.974 > 41 42 P 0.66668278107688 0.92089533279077 0.07993935382793 30.974 > 41 43 P 0.16668278107688 0.92089533279077 0.57993935382793 30.974 > 41 44 P 0.66668278107688 0.92089533279077 0.57993935382793 30.974 > 41 45 P 0.33331721892312 0.42089533279077 0.42006064617207 30.974 > 45 46 P 0.83331721892312 0.42089533279077 0.42006064617207 30.974 > 45 47 P 0.33331721892312 0.42089533279077 0.92006064617207 30.974 > 45 48 P 0.83331721892312 0.42089533279077 0.92006064617207 30.974 > 45 49 P 0.39027797050182 0.09086503848754 0.09821239195440 30.974 > 49 50 P 0.89027797050182 0.09086503848754 0.09821239195440 30.974 > 49 51 P 0.39027797050182 0.09086503848754 0.59821239195440 30.974 > 49 52 P 0.89027797050182 0.09086503848754 0.59821239195440 30.974 > 49 53 P 0.10972202949818 0.59086503848754 0.40178760804560 30.974 > 53 54 P 0.60972202949818 0.59086503848754 0.40178760804560 30.974 > 53 55 P 0.10972202949818 0.59086503848754 0.90178760804560 30.974 > 53 56 P 0.60972202949818 0.59086503848754 0.90178760804560 30.974 > 53 57 P 0.10972202949818 0.90913496151246 0.40178760804560 30.974 > 57 58 P 0.60972202949818 0.90913496151246 0.40178760804560 30.974 > 57 59 P 0.10972202949818 0.90913496151246 0.90178760804560 30.974 > 57 60 P 0.60972202949818 0.90913496151246 0.90178760804560 30.974 > 57 61 P 0.39027797050182 0.40913496151246 0.09821239195440 30.974 > 61 62 P 0.89027797050182 0.40913496151246 0.09821239195440 30.974 > 61 63 P 0.39027797050182 0.40913496151246 0.59821239195440 30.974 > 61 64 P 0.89027797050182 0.40913496151246 0.59821239195440 30.974 > 61 65 P 0.15088354340669 0.09036366876238 0.35624545490665 30.974 > 65 66 P 0.65088354340669 0.09036366876238 0.35624545490665 30.974 > 65 67 P 0.15088354340669 0.09036366876238 0.85624545490665 30.974 > 65 68 P 0.65088354340669 0.09036366876238 0.85624545490665 30.974 > 65 69 P 0.34911645659331 0.59036366876238 0.14375454509335 30.974 > 69 70 P 0.84911645659331 0.59036366876238 0.14375454509335 30.974 > 69 71 P 0.34911645659331 0.59036366876238 0.64375454509335 30.974 > 69 72 P 0.84911645659331 0.59036366876238 0.64375454509335 30.974 > 69 73 P 0.34911645659331 0.90963633123762 0.14375454509335 30.974 > 73 74 P 0.84911645659331 0.90963633123762 0.14375454509335 30.974 > 73 75 P 0.34911645659331 0.90963633123762 0.64375454509335 30.974 > 73 76 P 0.84911645659331 0.90963633123762 0.64375454509335 30.974 > 73 77 P 0.15088354340669 0.40963633123762 0.35624545490665 30.974 > 77 78 P 0.65088354340669 0.40963633123762 0.35624545490665 30.974 > 77 79 P 0.15088354340669 0.40963633123762 0.85624545490665 30.974 > 77 80 P 0.65088354340669 0.40963633123762 0.85624545490665 30.974 > 77 81 P 0.38391533715410 0.25000000000000 0.36074880724839 30.974 > 81 82 P 0.88391533715410 0.25000000000000 0.36074880724839 30.974 > 81 83 P 0.38391533715410 0.25000000000000 0.86074880724839 30.974 > 81 84 P 0.88391533715410 0.25000000000000 0.86074880724839 30.974 > 81 85 P 0.11608466284590 0.75000000000000 0.13925119275161 30.974 > 85 86 P 0.61608466284590 0.75000000000000 0.13925119275161 30.974 > 85 87 P 0.11608466284590 0.75000000000000 0.63925119275161 30.974 > 85 88 P 0.61608466284590 0.75000000000000 0.63925119275161 30.974 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 16.8764618 0.0000000 0.7040998 0.0000000 21.3508191 0.0000000 0.7040524 0.0000000 16.5834192 -------------------------- Born effective charges -------------------------- 1 Sn 3.1143996 0.0000000 0.4254819 0.0000000 2.1069337 0.0000000 0.0984185 0.0000000 1.9243918 2 Sn 3.1143996 0.0000000 0.4254819 0.0000000 2.1069337 0.0000000 0.0984185 0.0000000 1.9243918 3 Ag 0.3521282 0.0000000 0.0015858 0.0000000 0.1341244 0.0000000 0.0764761 0.0000000 0.2291417 4 Ag 0.3521282 0.0000000 0.0015858 0.0000000 0.1341244 0.0000000 0.0764761 0.0000000 0.2291417 5 Ag 0.3384278 0.0497239 0.1136000 -0.0222449 0.6174711 -0.0516250 -0.0269638 -0.0472233 0.2646895 6 Ag 0.3384278 -0.0497239 0.1136000 0.0222449 0.6174711 0.0516250 -0.0269638 0.0472233 0.2646895 7 Ag 0.3384278 0.0497239 0.1136000 -0.0222449 0.6174711 -0.0516250 -0.0269638 -0.0472233 0.2646895 8 Ag 0.3384278 -0.0497239 0.1136000 0.0222449 0.6174711 0.0516250 -0.0269638 0.0472233 0.2646895 9 P -0.4096301 0.3007901 0.4372886 -0.0600014 -0.8699798 0.1337943 0.3407009 0.1643802 -0.1369133 10 P -0.4096301 -0.3007901 0.4372886 0.0600014 -0.8699798 -0.1337943 0.3407009 -0.1643802 -0.1369133 11 P -0.4096301 0.3007901 0.4372886 -0.0600014 -0.8699798 0.1337943 0.3407009 0.1643802 -0.1369133 12 P -0.4096301 -0.3007901 0.4372886 0.0600014 -0.8699798 -0.1337943 0.3407009 -0.1643802 -0.1369133 13 P -0.5925915 -0.3067180 -0.0455637 -0.1064132 -0.8819889 0.1171930 -0.0598501 -0.0255618 -1.2209859 14 P -0.5925915 0.3067180 -0.0455637 0.1064132 -0.8819889 -0.1171930 -0.0598501 0.0255618 -1.2209859 15 P -0.5925915 -0.3067180 -0.0455637 -0.1064132 -0.8819889 0.1171930 -0.0598501 -0.0255618 -1.2209859 16 P -0.5925915 0.3067180 -0.0455637 0.1064132 -0.8819889 -0.1171930 -0.0598501 0.0255618 -1.2209859 17 P -0.6771616 0.5012214 -0.3727605 0.1147557 -0.3136630 -0.2431723 -0.0789343 -0.1773002 -0.1370752 18 P -0.6771616 -0.5012214 -0.3727605 -0.1147557 -0.3136630 0.2431723 -0.0789343 0.1773002 -0.1370752 19 P -0.6771616 0.5012214 -0.3727605 0.1147557 -0.3136630 -0.2431723 -0.0789343 -0.1773002 -0.1370752 20 P -0.6771616 -0.5012214 -0.3727605 -0.1147557 -0.3136630 0.2431723 -0.0789343 0.1773002 -0.1370752 21 P -0.7846171 0.0000000 -0.6921964 0.0000000 0.6552632 0.0000000 -0.5248003 0.0000000 0.3070365 22 P -0.7846171 0.0000000 -0.6921964 0.0000000 0.6552632 0.0000000 -0.5248003 0.0000000 0.3070365 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000022 (xxx) -0.00000022 (xxx) -0.00000022 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 5 8 ] 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: 0.55, Number of G-points: 301, Lambda: 0.25 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/102) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.682 ( 0.000 0.000 0.000) 0.000 1.861 ( 0.000 0.000 0.000) 0.000 2.077 ( 0.000 0.000 0.000) 0.000 2.087 ( 0.000 0.000 0.000) 0.000 2.124 ( 0.000 0.000 0.000) 0.000 2.177 ( 0.000 0.000 0.000) 0.000 2.382 ( 0.000 0.000 0.000) 0.000 2.409 ( 0.000 0.000 0.000) 0.000 2.433 ( 0.000 0.000 0.000) 0.000 2.576 ( 0.000 0.000 0.000) 0.000 2.689 ( 0.000 0.000 0.000) 0.000 2.924 ( 0.000 0.000 0.000) 0.000 2.931 ( 0.000 0.000 0.000) 0.000 2.956 ( 0.000 0.000 0.000) 0.000 3.137 ( 0.000 0.000 0.000) 0.000 3.193 ( 0.000 0.000 0.000) 0.000 3.272 ( 0.000 0.000 0.000) 0.000 3.458 ( 0.000 0.000 0.000) 0.000 3.521 ( 0.000 0.000 0.000) 0.000 3.975 ( 0.000 0.000 0.000) 0.000 4.061 ( 0.000 0.000 0.000) 0.000 4.137 ( 0.000 0.000 0.000) 0.000 4.176 ( 0.000 0.000 0.000) 0.000 4.642 ( 0.000 0.000 0.000) 0.000 4.926 ( 0.000 0.000 0.000) 0.000 4.926 ( 0.000 0.000 0.000) 0.000 5.017 ( 0.000 0.000 0.000) 0.000 5.259 ( 0.000 0.000 0.000) 0.000 5.963 ( 0.000 0.000 0.000) 0.000 6.119 ( 0.000 0.000 0.000) 0.000 6.162 ( 0.000 0.000 0.000) 0.000 6.501 ( 0.000 0.000 0.000) 0.000 6.579 ( 0.000 0.000 0.000) 0.000 6.740 ( 0.000 0.000 0.000) 0.000 6.956 ( 0.000 0.000 0.000) 0.000 8.145 ( 0.000 0.000 0.000) 0.000 8.376 ( 0.000 0.000 0.000) 0.000 8.476 ( 0.000 0.000 0.000) 0.000 8.603 ( 0.000 0.000 0.000) 0.000 9.184 ( 0.000 0.000 0.000) 0.000 9.421 ( 0.000 0.000 0.000) 0.000 9.488 ( 0.000 0.000 0.000) 0.000 9.545 ( 0.000 0.000 0.000) 0.000 9.854 ( 0.000 0.000 0.000) 0.000 10.000 ( 0.000 0.000 0.000) 0.000 10.185 ( 0.000 0.000 0.000) 0.000 10.434 ( 0.000 0.000 0.000) 0.000 11.605 ( 0.000 0.000 0.000) 0.000 12.045 ( 0.000 0.000 0.000) 0.000 12.126 ( 0.000 0.000 0.000) 0.000 12.387 ( 0.000 0.000 0.000) 0.000 13.001 ( 0.000 0.000 0.000) 0.000 13.129 ( 0.000 0.000 0.000) 0.000 13.192 ( 0.000 0.000 0.000) 0.000 13.193 ( 0.000 0.000 0.000) 0.000 13.275 ( 0.000 0.000 0.000) 0.000 13.461 ( 0.000 0.000 0.000) 0.000 13.572 ( 0.000 0.000 0.000) 0.000 13.675 ( 0.000 0.000 0.000) 0.000 13.795 ( 0.000 0.000 0.000) 0.000 13.948 ( 0.000 0.000 0.000) 0.000 13.954 ( 0.000 0.000 0.000) 0.000 13.974 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/102) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( 14.942 0.000 22.921) 27.361 0.518 ( 25.263 0.000 -0.608) 25.270 1.085 ( 47.124 0.000 15.711) 49.674 1.745 ( 2.879 0.000 3.905) 4.852 1.859 ( 1.055 0.000 1.650) 1.958 2.071 ( -0.602 0.000 -0.665) 0.897 2.126 ( 0.084 0.000 0.545) 0.552 2.129 ( 0.792 0.000 5.107) 5.168 2.251 ( 5.374 0.000 0.583) 5.405 2.387 ( -1.636 0.000 2.133) 2.688 2.418 ( 1.281 0.000 0.962) 1.603 2.423 ( 2.582 0.000 0.155) 2.587 2.596 ( -8.200 0.000 3.189) 8.798 2.627 ( 1.513 0.000 2.250) 2.711 2.905 ( -0.721 0.000 8.347) 8.378 3.007 ( 0.371 0.000 6.085) 6.096 3.044 ( 6.076 0.000 -3.463) 6.993 3.153 ( 0.654 0.000 0.728) 0.978 3.230 ( 2.443 0.000 2.260) 3.328 3.281 ( -0.111 0.000 0.332) 0.351 3.446 ( -0.028 0.000 -3.063) 3.063 3.554 ( 3.251 0.000 -0.761) 3.339 3.850 ( -5.958 0.000 -2.254) 6.370 4.113 ( -0.112 0.000 -1.072) 1.078 4.185 ( 4.483 0.000 6.836) 8.175 4.252 ( 3.477 0.000 5.569) 6.565 4.614 ( -2.142 0.000 -1.051) 2.386 4.911 ( -0.528 0.000 0.064) 0.532 4.957 ( 1.990 0.000 1.562) 2.530 5.019 ( -2.329 0.000 -2.905) 3.724 5.334 ( 0.624 0.000 2.229) 2.315 6.002 ( 3.605 0.000 0.265) 3.615 6.150 ( 0.983 0.000 -0.959) 1.373 6.150 ( 1.316 0.000 -0.971) 1.636 6.422 ( -5.715 0.000 3.209) 6.554 6.653 ( 5.727 0.000 -4.750) 7.441 6.740 ( -0.144 0.000 0.696) 0.711 7.005 ( 3.698 0.000 -3.254) 4.925 8.131 ( -1.480 0.000 0.435) 1.543 8.368 ( -0.300 0.000 -1.578) 1.606 8.494 ( 1.482 0.000 0.677) 1.630 8.637 ( 3.221 0.000 -0.273) 3.232 9.145 ( -3.430 0.000 -0.819) 3.526 9.425 ( -0.307 0.000 -0.957) 1.005 9.488 ( -0.409 0.000 0.456) 0.613 9.539 ( -0.617 0.000 -1.861) 1.960 9.836 ( -1.153 0.000 -1.846) 2.177 9.973 ( -2.177 0.000 -1.077) 2.429 10.155 ( -3.017 0.000 0.356) 3.038 10.417 ( -1.495 0.000 -1.579) 2.174 11.612 ( 0.908 0.000 -0.587) 1.081 12.004 ( -3.308 0.000 -2.019) 3.876 12.134 ( 1.331 0.000 -1.920) 2.336 12.375 ( -0.273 0.000 -2.861) 2.874 13.010 ( 0.847 0.000 0.163) 0.862 13.103 ( -1.737 0.000 -1.645) 2.392 13.187 ( 0.106 0.000 -2.415) 2.418 13.189 ( -0.239 0.000 -0.416) 0.479 13.283 ( 0.419 0.000 -0.368) 0.558 13.468 ( 0.751 0.000 -0.288) 0.804 13.563 ( -0.691 0.000 -0.144) 0.706 13.658 ( -0.974 0.000 -0.843) 1.288 13.831 ( 2.570 0.000 1.359) 2.907 13.960 ( -1.609 0.000 2.179) 2.709 13.966 ( 1.395 0.000 1.220) 1.853 14.003 ( 1.578 0.000 1.770) 2.371 ======================= Grid point 2 (3/102) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 15.740 0.000 19.110) 24.757 0.968 ( 19.932 0.000 -0.520) 19.939 1.767 ( -0.518 0.000 1.311) 1.409 1.948 ( 12.975 0.000 7.941) 15.212 2.036 ( 27.554 0.000 6.801) 28.381 2.043 ( -2.047 0.000 -0.286) 2.067 2.125 ( -3.062 0.000 5.002) 5.865 2.134 ( 0.669 0.000 1.368) 1.522 2.312 ( 1.220 0.000 0.626) 1.371 2.393 ( -0.232 0.000 3.257) 3.265 2.427 ( -3.474 0.000 0.799) 3.565 2.545 ( 3.774 0.000 2.301) 4.420 2.559 ( 8.911 0.000 1.710) 9.074 2.690 ( 2.660 0.000 4.692) 5.393 2.958 ( 0.435 0.000 6.899) 6.913 3.052 ( -1.747 0.000 6.491) 6.722 3.116 ( 3.785 0.000 -3.903) 5.437 3.173 ( 3.253 0.000 -1.275) 3.494 3.231 ( -3.625 0.000 -1.646) 3.981 3.241 ( -5.203 0.000 4.199) 6.686 3.465 ( 2.788 0.000 -2.539) 3.771 3.620 ( 2.822 0.000 0.081) 2.823 3.792 ( 0.907 0.000 3.198) 3.324 4.143 ( 2.909 0.000 2.288) 3.701 4.278 ( 0.301 0.000 6.884) 6.891 4.339 ( 0.998 0.000 2.733) 2.910 4.575 ( -0.495 0.000 1.413) 1.497 4.915 ( 1.228 0.000 -0.524) 1.336 4.934 ( -3.758 0.000 -3.420) 5.082 5.031 ( 3.932 0.000 3.007) 4.950 5.371 ( 1.185 0.000 3.081) 3.301 6.092 ( 4.710 0.000 0.402) 4.728 6.119 ( -1.538 0.000 -1.104) 1.893 6.215 ( 3.610 0.000 -1.065) 3.764 6.354 ( -2.688 0.000 2.361) 3.577 6.710 ( 3.085 0.000 -4.771) 5.682 6.749 ( 0.396 0.000 1.636) 1.683 7.067 ( 4.209 0.000 -2.990) 5.163 8.101 ( -1.628 0.000 0.398) 1.675 8.344 ( -0.802 0.000 -2.234) 2.374 8.539 ( 2.382 0.000 0.834) 2.524 8.712 ( 4.271 0.000 -0.399) 4.290 9.050 ( -5.047 0.000 -1.285) 5.208 9.407 ( -1.384 0.000 -0.559) 1.493 9.471 ( -1.447 0.000 0.433) 1.510 9.511 ( -0.240 0.000 -2.992) 3.001 9.794 ( -1.226 0.000 -2.788) 3.046 9.911 ( -2.991 0.000 -1.256) 3.244 10.080 ( -4.457 0.000 0.187) 4.461 10.353 ( -3.527 0.000 -2.508) 4.328 11.636 ( 1.997 0.000 -0.757) 2.136 11.910 ( -4.029 0.000 -3.016) 5.033 12.150 ( 1.755 0.000 -2.634) 3.165 12.340 ( -0.776 0.000 -4.162) 4.234 13.032 ( 1.171 0.000 0.189) 1.186 13.051 ( -1.976 0.000 -2.223) 2.974 13.164 ( -0.433 0.000 -3.181) 3.210 13.179 ( -0.385 0.000 -0.606) 0.718 13.289 ( 0.381 0.000 -0.112) 0.397 13.485 ( 1.150 0.000 -0.472) 1.243 13.548 ( -0.677 0.000 -0.133) 0.690 13.636 ( -0.589 0.000 -0.803) 0.996 13.892 ( 2.391 0.000 1.291) 2.717 13.941 ( -1.621 0.000 2.059) 2.620 14.016 ( 2.340 0.000 1.897) 3.013 14.054 ( 1.881 0.000 2.690) 3.282 ======================= Grid point 3 (4/102) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 11.062 0.000 -0.227) 11.064 1.280 ( 12.496 0.000 13.085) 18.093 1.780 ( 1.025 0.000 0.870) 1.344 1.982 ( -3.485 0.000 -0.161) 3.489 2.063 ( 2.174 0.000 -0.714) 2.288 2.121 ( -1.530 0.000 -1.753) 2.327 2.137 ( 0.929 0.000 4.133) 4.236 2.316 ( 0.886 0.000 6.031) 6.096 2.356 ( -1.671 0.000 -0.300) 1.697 2.449 ( 2.600 0.000 4.209) 4.947 2.583 ( 11.823 0.000 1.293) 11.893 2.629 ( 2.589 0.000 -2.464) 3.574 2.732 ( 8.251 0.000 1.831) 8.452 2.794 ( 4.709 0.000 4.114) 6.253 2.977 ( -2.750 0.000 0.086) 2.751 2.998 ( -4.446 0.000 0.873) 4.531 3.115 ( -1.959 0.000 -1.055) 2.225 3.149 ( -3.672 0.000 0.236) 3.680 3.163 ( -1.827 0.000 4.572) 4.924 3.304 ( 6.090 0.000 2.423) 6.555 3.506 ( 4.802 0.000 -2.775) 5.546 3.644 ( -0.418 0.000 0.892) 0.985 3.887 ( 3.962 0.000 4.446) 5.955 4.219 ( 0.977 0.000 0.330) 1.031 4.304 ( -0.780 0.000 4.113) 4.187 4.327 ( -0.302 0.000 0.906) 0.955 4.630 ( 2.799 0.000 4.280) 5.114 4.840 ( -3.394 0.000 -2.885) 4.454 4.944 ( 1.595 0.000 -0.344) 1.632 5.131 ( 3.544 0.000 2.612) 4.403 5.413 ( 0.987 0.000 2.452) 2.643 6.081 ( -1.411 0.000 -0.653) 1.554 6.167 ( 2.098 0.000 0.442) 2.144 6.269 ( 2.560 0.000 -1.024) 2.757 6.348 ( 0.342 0.000 1.895) 1.926 6.716 ( 0.528 0.000 -3.411) 3.451 6.774 ( 0.740 0.000 1.769) 1.917 7.120 ( 2.673 0.000 -2.369) 3.571 8.077 ( -0.939 0.000 0.189) 0.958 8.312 ( -0.908 0.000 -1.653) 1.886 8.589 ( 1.996 0.000 0.431) 2.043 8.786 ( 3.074 0.000 -0.353) 3.094 8.950 ( -3.741 0.000 -0.917) 3.852 9.357 ( -2.677 0.000 -0.504) 2.724 9.456 ( -0.246 0.000 0.697) 0.739 9.491 ( -0.047 0.000 -2.558) 2.559 9.760 ( -0.386 0.000 -2.183) 2.217 9.850 ( -2.335 0.000 -0.636) 2.420 9.998 ( -3.366 0.000 -0.014) 3.366 10.261 ( -3.655 0.000 -1.952) 4.144 11.678 ( 2.476 0.000 -0.372) 2.504 11.821 ( -3.033 0.000 -2.127) 3.705 12.167 ( 1.376 0.000 -1.692) 2.181 12.296 ( -0.999 0.000 -3.134) 3.289 13.005 ( -1.286 0.000 -1.520) 1.991 13.054 ( 0.858 0.000 0.137) 0.869 13.136 ( -0.457 0.000 -2.104) 2.153 13.168 ( -0.339 0.000 -0.460) 0.571 13.296 ( 0.307 0.000 -0.019) 0.308 13.503 ( 0.812 0.000 -0.393) 0.902 13.536 ( -0.379 0.000 -0.090) 0.389 13.625 ( -0.187 0.000 -0.467) 0.503 13.926 ( -0.946 0.000 1.264) 1.579 13.936 ( 1.332 0.000 0.762) 1.535 14.071 ( 1.804 0.000 1.371) 2.266 14.102 ( 1.214 0.000 1.859) 2.220 ======================= Grid point 4 (5/102) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 0.000 0.000 0.000) 0.000 1.471 ( 0.000 0.000 0.000) 0.000 1.797 ( 0.000 0.000 -0.000) 0.000 1.939 ( 0.000 0.000 0.000) 0.000 2.077 ( 0.000 0.000 0.000) 0.000 2.077 ( -0.000 0.000 -0.000) 0.000 2.168 ( 0.000 0.000 0.000) 0.000 2.340 ( 0.000 0.000 0.000) 0.000 2.357 ( 0.000 0.000 0.000) 0.000 2.564 ( 0.000 0.000 0.000) 0.000 2.579 ( -0.000 0.000 -0.000) 0.000 2.652 ( 0.000 0.000 0.000) 0.000 2.858 ( 0.000 0.000 0.000) 0.000 2.885 ( 0.000 0.000 0.000) 0.000 2.914 ( 0.000 0.000 0.000) 0.000 2.931 ( 0.000 0.000 0.000) 0.000 3.101 ( 0.000 0.000 0.000) 0.000 3.114 ( 0.000 0.000 -0.000) 0.000 3.160 ( 0.000 0.000 0.000) 0.000 3.356 ( 0.000 0.000 0.000) 0.000 3.593 ( 0.000 0.000 0.000) 0.000 3.638 ( 0.000 0.000 0.000) 0.000 3.947 ( 0.000 0.000 -0.000) 0.000 4.193 ( 0.000 0.000 0.000) 0.000 4.310 ( 0.000 0.000 0.000) 0.000 4.354 ( 0.000 0.000 0.000) 0.000 4.686 ( 0.000 0.000 0.000) 0.000 4.785 ( 0.000 0.000 0.000) 0.000 4.961 ( 0.000 0.000 0.000) 0.000 5.179 ( 0.000 0.000 0.000) 0.000 5.432 ( 0.000 0.000 0.000) 0.000 6.064 ( 0.000 0.000 0.000) 0.000 6.186 ( 0.000 0.000 0.000) 0.000 6.294 ( 0.000 0.000 0.000) 0.000 6.364 ( 0.000 0.000 0.000) 0.000 6.706 ( 0.000 0.000 0.000) 0.000 6.789 ( 0.000 0.000 -0.000) 0.000 7.138 ( 0.000 0.000 0.000) 0.000 8.068 ( 0.000 0.000 0.000) 0.000 8.296 ( 0.000 0.000 0.000) 0.000 8.612 ( 0.000 0.000 0.000) 0.000 8.817 ( 0.000 0.000 0.000) 0.000 8.908 ( 0.000 0.000 0.000) 0.000 9.325 ( 0.000 0.000 0.000) 0.000 9.462 ( 0.000 0.000 0.000) 0.000 9.478 ( 0.000 0.000 -0.000) 0.000 9.750 ( 0.000 0.000 0.000) 0.000 9.822 ( 0.000 0.000 0.000) 0.000 9.962 ( 0.000 0.000 0.000) 0.000 10.213 ( 0.000 0.000 0.000) 0.000 11.712 ( 0.000 0.000 0.000) 0.000 11.774 ( 0.000 0.000 0.000) 0.000 12.177 ( 0.000 0.000 -0.000) 0.000 12.273 ( 0.000 0.000 0.000) 0.000 12.987 ( 0.000 0.000 0.000) 0.000 13.064 ( 0.000 0.000 0.000) 0.000 13.124 ( 0.000 0.000 0.000) 0.000 13.163 ( 0.000 0.000 0.000) 0.000 13.299 ( 0.000 0.000 0.000) 0.000 13.510 ( 0.000 0.000 0.000) 0.000 13.532 ( 0.000 0.000 -0.000) 0.000 13.621 ( 0.000 0.000 0.000) 0.000 13.921 ( 0.000 0.000 0.000) 0.000 13.952 ( 0.000 0.000 0.000) 0.000 14.094 ( 0.000 0.000 0.000) 0.000 14.121 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/102) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( 0.000 22.727 0.000) 22.727 0.583 ( 0.000 31.150 0.000) 31.150 0.861 ( 0.000 44.638 0.000) 44.638 1.520 ( 0.000 -14.830 0.000) 14.830 1.784 ( 0.000 -8.658 0.000) 8.658 2.022 ( 0.000 -4.326 0.000) 4.326 2.153 ( 0.000 5.641 0.000) 5.641 2.169 ( 0.000 1.687 0.000) 1.687 2.253 ( 0.000 7.825 0.000) 7.825 2.300 ( 0.000 -7.972 0.000) 7.972 2.458 ( 0.000 6.810 0.000) 6.810 2.482 ( 0.000 2.238 0.000) 2.238 2.530 ( 0.000 -4.477 0.000) 4.477 2.647 ( 0.000 -2.993 0.000) 2.993 2.858 ( 0.000 -7.462 0.000) 7.462 2.951 ( 0.000 2.974 0.000) 2.974 3.019 ( 0.000 5.269 0.000) 5.269 3.070 ( 0.000 -6.115 0.000) 6.115 3.249 ( 0.000 1.902 0.000) 1.902 3.307 ( 0.000 4.576 0.000) 4.576 3.444 ( 0.000 -5.001 0.000) 5.001 3.482 ( 0.000 -1.037 0.000) 1.037 4.018 ( 0.000 0.137 0.000) 0.137 4.045 ( 0.000 -1.063 0.000) 1.063 4.128 ( 0.000 -1.332 0.000) 1.332 4.152 ( 0.000 -2.468 0.000) 2.468 4.624 ( 0.000 -1.450 0.000) 1.450 4.767 ( 0.000 -8.977 0.000) 8.977 4.964 ( 0.000 3.625 0.000) 3.625 5.205 ( 0.000 8.998 0.000) 8.998 5.223 ( 0.000 -0.133 0.000) 0.133 5.918 ( 0.000 -12.893 0.000) 12.893 6.038 ( 0.000 7.555 0.000) 7.555 6.298 ( 0.000 5.318 0.000) 5.318 6.494 ( 0.000 -0.613 0.000) 0.613 6.624 ( 0.000 -1.682 0.000) 1.682 6.729 ( 0.000 1.408 0.000) 1.408 6.948 ( 0.000 -1.080 0.000) 1.080 8.152 ( 0.000 0.797 0.000) 0.797 8.325 ( 0.000 -4.489 0.000) 4.489 8.498 ( 0.000 1.525 0.000) 1.525 8.581 ( 0.000 -2.012 0.000) 2.012 9.232 ( 0.000 4.696 0.000) 4.696 9.421 ( 0.000 -0.069 0.000) 0.069 9.482 ( 0.000 -0.646 0.000) 0.646 9.523 ( 0.000 -2.296 0.000) 2.296 9.850 ( 0.000 -0.431 0.000) 0.431 9.927 ( 0.000 -5.171 0.000) 5.171 10.283 ( 0.000 7.399 0.000) 7.399 10.439 ( 0.000 0.458 0.000) 0.458 11.623 ( 0.000 2.117 0.000) 2.117 11.950 ( 0.000 -7.349 0.000) 7.349 12.196 ( 0.000 4.720 0.000) 4.720 12.377 ( 0.000 -1.496 0.000) 1.496 13.029 ( 0.000 2.256 0.000) 2.256 13.129 ( 0.000 -0.094 0.000) 0.094 13.189 ( 0.000 -0.253 0.000) 0.253 13.211 ( 0.000 1.221 0.000) 1.221 13.267 ( 0.000 -0.183 0.000) 0.183 13.439 ( 0.000 -2.371 0.000) 2.371 13.586 ( 0.000 1.051 0.000) 1.051 13.665 ( 0.000 -0.990 0.000) 0.990 13.818 ( 0.000 1.657 0.000) 1.657 13.933 ( 0.000 -1.354 0.000) 1.354 13.959 ( 0.000 0.246 0.000) 0.246 13.971 ( 0.000 -0.205 0.000) 0.205 ======================= Grid point 10 (7/102) ======================= q-point: ( 0.12 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 4.499 22.990 19.346) 30.382 0.763 ( 19.890 16.530 8.330) 27.171 1.333 ( 34.784 23.912 5.608) 42.581 1.618 ( 5.728 -11.978 5.705) 14.451 1.775 ( -0.178 -9.061 3.153) 9.596 2.020 ( -0.113 -3.933 -0.026) 3.935 2.143 ( -1.689 0.851 1.418) 2.364 2.205 ( 1.177 5.068 3.367) 6.197 2.284 ( 0.760 -2.439 2.103) 3.308 2.319 ( 2.863 2.264 1.097) 3.811 2.442 ( 0.204 1.353 -2.459) 2.814 2.507 ( 3.147 6.105 0.492) 6.886 2.564 ( 0.030 -2.412 4.975) 5.529 2.626 ( -2.144 1.051 2.352) 3.352 2.883 ( 0.787 -3.599 6.956) 7.871 3.015 ( 5.055 -0.794 -2.370) 5.639 3.045 ( 0.883 3.774 4.352) 5.828 3.120 ( 3.809 -5.147 2.427) 6.848 3.264 ( 0.086 3.277 1.042) 3.440 3.284 ( -1.518 0.997 -0.599) 1.912 3.448 ( 0.125 -0.431 -2.767) 2.804 3.497 ( 3.042 -5.808 -1.152) 6.657 3.872 ( -6.379 1.829 -1.857) 6.891 4.074 ( -0.901 -3.844 -0.366) 3.965 4.179 ( 3.997 -0.783 6.973) 8.076 4.241 ( 3.641 -1.309 5.665) 6.860 4.591 ( -2.534 -1.661 -1.041) 3.204 4.762 ( -0.420 -8.813 -1.559) 8.959 4.989 ( 2.063 3.981 1.844) 4.848 5.202 ( -0.855 12.355 -1.323) 12.455 5.268 ( 2.684 -4.916 2.320) 6.062 5.925 ( 0.974 -13.054 -1.073) 13.134 6.077 ( 3.189 7.049 0.681) 7.767 6.299 ( 0.643 5.092 -0.654) 5.174 6.437 ( -4.602 1.256 1.893) 5.133 6.653 ( 2.204 -3.474 -1.172) 4.278 6.740 ( 2.244 3.201 -1.973) 4.379 6.984 ( 3.590 -1.947 -2.296) 4.685 8.136 ( -1.524 0.688 0.182) 1.682 8.316 ( -0.456 -4.684 -1.222) 4.863 8.514 ( 1.444 1.519 0.358) 2.126 8.613 ( 2.998 -2.191 -0.201) 3.719 9.196 ( -3.231 4.969 -0.752) 5.974 9.420 ( -0.270 -0.499 -0.579) 0.810 9.479 ( -0.616 -0.851 0.343) 1.105 9.514 ( -0.272 -2.253 -1.705) 2.838 9.834 ( -0.981 -0.215 -1.645) 1.927 9.909 ( -1.362 -4.543 -0.945) 4.836 10.243 ( -3.743 6.879 -0.139) 7.833 10.418 ( -1.776 0.028 -1.577) 2.376 11.627 ( 0.701 1.840 -0.652) 2.074 11.923 ( -2.045 -6.758 -1.793) 7.285 12.192 ( 0.413 4.396 -2.251) 4.956 12.364 ( -0.272 -1.294 -2.892) 3.180 13.034 ( 0.595 2.298 0.004) 2.373 13.106 ( -1.497 0.224 -1.697) 2.274 13.182 ( -0.084 -0.410 -2.227) 2.266 13.207 ( -0.290 1.223 -0.371) 1.311 13.273 ( 0.562 -0.298 -0.156) 0.655 13.445 ( 0.666 -2.468 -0.309) 2.575 13.576 ( -0.706 1.272 -0.199) 1.469 13.654 ( -0.819 -0.595 -0.681) 1.220 13.843 ( 2.009 1.235 1.180) 2.637 13.939 ( -0.276 -1.457 1.549) 2.145 13.972 ( 0.869 0.270 1.695) 1.924 13.998 ( 1.619 -0.439 1.825) 2.479 ======================= Grid point 11 (8/102) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 12.387 11.341 18.328) 24.859 1.171 ( 17.329 15.912 1.714) 23.589 1.700 ( 0.983 -7.066 3.491) 7.943 1.886 ( 7.124 -6.648 3.742) 10.439 1.955 ( 9.522 -3.612 4.328) 11.065 2.047 ( 2.978 -3.106 6.878) 8.113 2.176 ( 10.919 4.998 2.946) 12.365 2.207 ( -1.320 5.366 1.339) 5.686 2.327 ( -0.629 0.554 1.949) 2.121 2.364 ( 3.526 -1.600 0.576) 3.915 2.447 ( -1.450 1.459 2.247) 3.046 2.584 ( 4.692 3.501 0.314) 5.863 2.618 ( 5.711 7.681 1.640) 9.711 2.672 ( 3.319 -0.991 4.767) 5.892 2.952 ( 0.615 -2.008 6.909) 7.221 3.067 ( 0.017 0.631 0.982) 1.167 3.091 ( 0.307 -0.461 0.443) 0.709 3.193 ( 3.225 0.701 -0.736) 3.381 3.237 ( -3.909 0.864 3.558) 5.356 3.258 ( -0.598 2.245 -0.838) 2.470 3.442 ( 1.658 -2.470 -2.514) 3.895 3.570 ( 4.108 -5.495 -0.146) 6.862 3.810 ( 0.304 1.960 3.278) 3.831 4.087 ( 1.824 -5.784 2.805) 6.682 4.283 ( 1.568 0.544 6.881) 7.078 4.345 ( 2.389 0.429 4.260) 4.903 4.533 ( -1.847 -3.171 0.445) 3.697 4.729 ( -1.410 -8.997 -2.615) 9.475 5.068 ( 3.915 4.291 3.110) 6.589 5.171 ( -0.948 13.448 -1.604) 13.577 5.333 ( 2.133 -3.536 3.051) 5.135 5.934 ( 0.477 -13.079 -1.286) 13.151 6.155 ( 3.572 5.958 1.202) 7.050 6.316 ( 1.550 3.981 -1.078) 4.406 6.376 ( -2.324 2.732 1.480) 3.880 6.680 ( 1.018 -4.669 0.251) 4.785 6.780 ( 2.740 4.556 -2.893) 6.053 7.045 ( 4.081 -2.292 -2.938) 5.526 8.103 ( -1.722 0.394 0.108) 1.770 8.292 ( -0.840 -4.916 -1.891) 5.334 8.556 ( 2.355 1.535 0.536) 2.862 8.682 ( 3.720 -2.762 -0.350) 4.647 9.107 ( -4.610 5.511 -1.179) 7.281 9.392 ( -2.411 -1.946 -0.615) 3.159 9.460 ( -0.892 -0.709 -0.092) 1.143 9.498 ( 0.055 -1.186 -2.426) 2.701 9.799 ( -0.960 0.397 -2.361) 2.580 9.868 ( -1.959 -3.234 -1.072) 3.930 10.148 ( -5.236 5.735 -0.491) 7.781 10.346 ( -3.990 -0.835 -2.431) 4.746 11.645 ( 1.657 1.148 -0.831) 2.180 11.857 ( -2.813 -4.893 -2.507) 6.176 12.188 ( 0.948 3.340 -3.041) 4.615 12.331 ( -0.654 -1.074 -4.121) 4.309 13.049 ( 0.557 1.586 -0.127) 1.686 13.059 ( -1.351 0.886 -2.237) 2.759 13.158 ( -0.550 -0.510 -2.857) 2.954 13.195 ( -0.503 1.145 -0.518) 1.354 13.285 ( 0.671 0.039 -0.140) 0.686 13.460 ( 1.044 -2.662 -0.482) 2.899 13.561 ( -0.661 1.309 -0.212) 1.481 13.633 ( -0.679 -0.421 -0.784) 1.119 13.895 ( 1.978 0.338 1.368) 2.429 13.936 ( -0.970 -0.484 1.869) 2.161 14.018 ( 2.251 0.268 2.058) 3.062 14.050 ( 1.931 -0.460 2.640) 3.303 ======================= Grid point 12 (9/102) ======================= q-point: ( 0.38 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 10.862 7.057 13.315) 18.576 1.446 ( 9.612 12.594 -0.734) 15.860 1.750 ( 1.818 -3.231 2.122) 4.272 1.924 ( -1.397 -4.714 -0.436) 4.936 2.054 ( 2.926 -2.634 1.306) 4.148 2.114 ( 0.734 -0.340 3.333) 3.429 2.184 ( -0.885 4.137 0.131) 4.233 2.320 ( -0.335 -0.286 3.713) 3.739 2.359 ( 0.174 -0.620 0.856) 1.072 2.397 ( 2.601 -0.984 2.951) 4.055 2.601 ( 9.073 -4.378 0.970) 10.120 2.662 ( 3.000 5.138 -2.943) 6.637 2.723 ( 5.010 -0.925 0.178) 5.097 2.798 ( 2.394 4.063 5.968) 7.607 2.950 ( -2.406 -3.160 0.617) 4.019 2.993 ( -6.238 -1.097 -1.707) 6.560 3.088 ( -0.365 -1.533 0.457) 1.641 3.182 ( -1.930 4.876 4.958) 7.217 3.237 ( -0.676 4.802 -1.711) 5.142 3.302 ( 3.907 -0.789 1.854) 4.396 3.502 ( 6.711 -0.030 -0.926) 6.774 3.633 ( 1.617 -1.358 1.131) 2.395 3.890 ( 3.508 0.525 4.229) 5.520 4.163 ( 2.599 -5.874 2.243) 6.804 4.326 ( -1.116 2.680 1.312) 3.186 4.352 ( -0.655 2.184 1.988) 3.025 4.569 ( 2.259 -5.858 4.752) 7.874 4.677 ( -1.853 -9.189 -2.537) 9.711 5.150 ( 0.402 13.210 -0.065) 13.217 5.167 ( 2.889 4.206 1.784) 5.406 5.388 ( 1.399 -2.445 2.426) 3.717 5.927 ( -0.294 -12.541 -0.759) 12.568 6.213 ( 1.374 4.592 0.787) 4.857 6.340 ( 1.232 3.177 -0.786) 3.497 6.371 ( 0.692 2.959 1.163) 3.254 6.698 ( 0.529 -3.976 0.134) 4.013 6.803 ( 1.152 4.858 -1.515) 5.218 7.096 ( 2.634 -2.517 -2.313) 4.315 8.075 ( -1.016 0.096 0.000) 1.021 8.263 ( -0.789 -4.778 -1.456) 5.057 8.603 ( 1.875 1.365 0.257) 2.333 8.740 ( 2.103 -3.632 -0.390) 4.215 9.021 ( -2.942 6.143 -0.792) 6.857 9.328 ( -2.934 -3.132 -0.627) 4.337 9.452 ( -0.042 -0.208 0.421) 0.472 9.482 ( -0.101 -0.886 -2.287) 2.454 9.773 ( -0.312 1.045 -1.743) 2.056 9.826 ( -1.516 -1.786 -0.496) 2.394 10.049 ( -3.889 4.556 -0.522) 6.013 10.247 ( -3.889 -1.513 -1.921) 4.594 11.679 ( 2.073 0.273 -0.437) 2.137 11.792 ( -2.200 -2.843 -1.780) 4.011 12.190 ( 0.883 2.151 -1.960) 3.041 12.290 ( -0.830 -0.700 -3.047) 3.235 13.014 ( -1.165 1.012 -1.537) 2.177 13.067 ( 0.654 0.989 -0.268) 1.215 13.131 ( -0.464 -0.252 -1.725) 1.804 13.183 ( -0.397 1.083 -0.370) 1.211 13.296 ( 0.513 0.460 -0.066) 0.693 13.476 ( 0.736 -2.767 -0.380) 2.888 13.549 ( -0.355 1.233 -0.152) 1.292 13.620 ( -0.277 -0.571 -0.474) 0.792 13.924 ( -0.268 -0.029 1.211) 1.240 13.938 ( 0.681 0.034 0.835) 1.078 14.073 ( 1.802 0.255 1.419) 2.307 14.098 ( 1.286 -0.353 1.807) 2.246 ======================= Grid point 13 (10/102) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 0.000 9.776 0.000) 9.776 1.529 ( 0.000 5.866 -0.000) 5.866 1.778 ( 0.000 -1.943 -0.000) 1.943 1.904 ( 0.000 -3.251 0.000) 3.251 2.087 ( 0.000 -0.098 0.000) 0.098 2.110 ( 0.000 3.026 0.000) 3.026 2.182 ( 0.000 1.978 0.000) 1.978 2.327 ( 0.000 -2.017 -0.000) 2.017 2.371 ( 0.000 1.900 0.000) 1.900 2.472 ( 0.000 -5.166 0.000) 5.166 2.619 ( 0.000 4.068 0.000) 4.068 2.756 ( 0.000 -6.309 0.000) 6.309 2.780 ( -0.000 -7.118 0.000) 7.118 2.783 ( 0.000 7.148 -0.000) 7.148 2.910 ( 0.000 -2.428 0.000) 2.428 2.946 ( 0.000 1.663 0.000) 1.663 3.068 ( 0.000 -3.316 0.000) 3.316 3.203 ( 0.000 7.012 -0.000) 7.012 3.214 ( 0.000 4.115 0.000) 4.115 3.331 ( 0.000 -2.638 0.000) 2.638 3.611 ( 0.000 1.894 0.000) 1.894 3.650 ( 0.000 1.173 0.000) 1.173 3.948 ( 0.000 0.272 0.000) 0.272 4.179 ( 0.000 -2.321 0.000) 2.321 4.318 ( 0.000 1.278 0.000) 1.278 4.360 ( 0.000 0.632 0.000) 0.632 4.621 ( 0.000 -10.343 0.000) 10.343 4.640 ( 0.000 -4.665 0.000) 4.665 5.151 ( 0.000 13.771 0.000) 13.771 5.210 ( 0.000 3.041 0.000) 3.041 5.412 ( 0.000 -2.061 0.000) 2.061 5.920 ( 0.000 -12.184 0.000) 12.184 6.226 ( 0.000 4.136 0.000) 4.136 6.350 ( 0.000 2.915 0.000) 2.915 6.389 ( 0.000 2.702 0.000) 2.702 6.703 ( 0.000 -3.074 0.000) 3.074 6.809 ( 0.000 4.496 0.000) 4.496 7.115 ( 0.000 -2.554 0.000) 2.554 8.065 ( 0.000 -0.026 0.000) 0.026 8.250 ( 0.000 -4.617 0.000) 4.617 8.624 ( 0.000 1.164 0.000) 1.164 8.758 ( 0.000 -4.038 0.000) 4.038 8.990 ( 0.000 6.395 0.000) 6.395 9.293 ( 0.000 -3.236 0.000) 3.236 9.459 ( 0.000 -0.297 0.000) 0.297 9.469 ( 0.000 -0.786 -0.000) 0.786 9.764 ( 0.000 1.195 0.000) 1.195 9.808 ( 0.000 -1.034 0.000) 1.034 10.006 ( 0.000 4.020 0.000) 4.020 10.197 ( 0.000 -1.707 0.000) 1.707 11.707 ( 0.000 -0.402 0.000) 0.402 11.756 ( 0.000 -1.733 0.000) 1.733 12.193 ( 0.000 1.584 0.000) 1.584 12.269 ( 0.000 -0.437 0.000) 0.437 12.997 ( 0.000 1.132 0.000) 1.132 13.072 ( 0.000 0.415 0.000) 0.415 13.121 ( 0.000 0.076 0.000) 0.076 13.177 ( 0.000 1.085 0.000) 1.085 13.302 ( 0.000 0.633 0.000) 0.633 13.482 ( 0.000 -2.773 0.000) 2.773 13.545 ( 0.000 1.180 -0.000) 1.180 13.615 ( 0.000 -0.654 0.000) 0.654 13.923 ( 0.000 0.298 0.000) 0.298 13.950 ( 0.000 -0.282 0.000) 0.282 14.097 ( 0.000 0.261 0.000) 0.261 14.118 ( 0.000 -0.284 0.000) 0.284 ======================= Grid point 18 (11/102) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 0.000 21.877 0.000) 21.877 1.115 ( 0.000 26.762 0.000) 26.762 1.200 ( 0.000 -19.425 0.000) 19.425 1.535 ( 0.000 -18.723 0.000) 18.723 1.568 ( 0.000 30.763 0.000) 30.763 1.923 ( 0.000 -8.895 0.000) 8.895 2.156 ( 0.000 -2.422 0.000) 2.422 2.165 ( 0.000 -4.310 0.000) 4.310 2.274 ( 0.000 6.669 0.000) 6.669 2.403 ( 0.000 -7.165 0.000) 7.165 2.411 ( 0.000 8.455 0.000) 8.455 2.526 ( 0.000 -3.536 0.000) 3.536 2.531 ( 0.000 3.922 0.000) 3.922 2.643 ( 0.000 -4.406 0.000) 4.406 2.740 ( 0.000 4.280 0.000) 4.280 2.913 ( 0.000 -9.635 0.000) 9.635 3.050 ( 0.000 5.857 0.000) 5.857 3.101 ( 0.000 2.263 0.000) 2.263 3.252 ( 0.000 -0.556 0.000) 0.556 3.303 ( 0.000 -7.560 0.000) 7.560 3.408 ( 0.000 5.132 0.000) 5.132 3.471 ( 0.000 -1.646 0.000) 1.646 4.031 ( 0.000 1.378 0.000) 1.378 4.042 ( 0.000 0.613 0.000) 0.613 4.090 ( 0.000 -2.214 0.000) 2.214 4.099 ( 0.000 -2.839 0.000) 2.839 4.609 ( 0.000 0.250 0.000) 0.250 4.646 ( 0.000 -4.191 0.000) 4.191 5.043 ( 0.000 4.805 0.000) 4.805 5.134 ( 0.000 -5.013 0.000) 5.013 5.445 ( 0.000 12.972 0.000) 12.972 5.681 ( 0.000 -13.017 0.000) 13.017 6.204 ( 0.000 9.622 0.000) 9.622 6.328 ( 0.000 -2.450 0.000) 2.450 6.487 ( 0.000 0.314 0.000) 0.314 6.535 ( 0.000 -5.434 0.000) 5.434 6.816 ( 0.000 6.025 0.000) 6.025 6.907 ( 0.000 -3.601 0.000) 3.601 8.179 ( 0.000 2.377 0.000) 2.377 8.241 ( 0.000 -4.283 0.000) 4.283 8.521 ( 0.000 1.118 0.000) 1.118 8.545 ( 0.000 -1.669 0.000) 1.669 9.332 ( 0.000 5.586 0.000) 5.586 9.408 ( 0.000 -2.068 0.000) 2.068 9.469 ( 0.000 -0.594 0.000) 0.594 9.476 ( 0.000 -1.991 0.000) 1.991 9.843 ( 0.000 -0.124 0.000) 0.124 9.859 ( 0.000 -2.167 0.000) 2.167 10.396 ( 0.000 4.410 0.000) 4.410 10.440 ( 0.000 -0.755 0.000) 0.755 11.689 ( 0.000 5.288 0.000) 5.288 11.810 ( 0.000 -7.618 0.000) 7.618 12.275 ( 0.000 3.914 0.000) 3.914 12.337 ( 0.000 -2.840 0.000) 2.840 13.080 ( 0.000 2.957 0.000) 2.957 13.120 ( 0.000 -1.157 0.000) 1.157 13.187 ( 0.000 0.156 0.000) 0.156 13.202 ( 0.000 -1.461 0.000) 1.461 13.305 ( 0.000 3.846 0.000) 3.846 13.380 ( 0.000 -3.967 0.000) 3.967 13.611 ( 0.000 1.609 0.000) 1.609 13.641 ( 0.000 -1.581 0.000) 1.581 13.857 ( 0.000 2.440 0.000) 2.440 13.901 ( 0.000 -2.193 0.000) 2.193 13.963 ( 0.000 0.212 0.000) 0.212 13.967 ( 0.000 -0.250 0.000) 0.250 ======================= Grid point 19 (12/102) ======================= q-point: ( 0.12 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 14.199 16.745 8.782) 23.646 1.108 ( -0.147 24.324 15.099) 28.630 1.361 ( 10.130 -15.254 8.079) 20.014 1.519 ( -1.917 -18.551 8.935) 20.680 1.762 ( 14.085 17.852 -0.100) 22.739 1.945 ( 0.923 -4.982 0.750) 5.122 2.143 ( 1.386 1.621 -0.237) 2.146 2.213 ( 4.592 -3.783 -2.504) 6.455 2.304 ( 0.718 5.391 2.002) 5.795 2.394 ( -1.593 -2.849 0.244) 3.273 2.438 ( 2.172 4.483 2.718) 5.675 2.522 ( 1.200 -3.129 2.733) 4.324 2.599 ( 3.778 5.371 3.145) 7.281 2.748 ( 6.845 4.333 3.361) 8.771 2.754 ( 1.979 -2.352 0.068) 3.074 2.964 ( 5.114 -10.751 1.277) 11.974 3.067 ( 1.183 5.169 1.571) 5.531 3.114 ( -0.102 1.760 3.348) 3.784 3.262 ( 0.687 -0.263 0.152) 0.751 3.330 ( 2.290 -6.087 0.096) 6.504 3.380 ( -1.634 3.142 -2.117) 4.126 3.442 ( -1.807 -2.181 -2.123) 3.540 3.916 ( -5.275 3.224 -0.646) 6.216 3.991 ( -3.470 -4.791 -0.006) 5.916 4.174 ( 4.192 0.660 7.096) 8.268 4.204 ( 3.890 -2.370 6.616) 8.033 4.584 ( -1.804 1.291 -1.577) 2.721 4.639 ( -0.475 -4.772 -1.956) 5.180 5.075 ( 2.530 5.137 1.787) 5.998 5.171 ( 2.733 -5.306 1.949) 6.279 5.441 ( -0.139 13.274 -0.981) 13.311 5.684 ( 0.480 -13.383 -0.904) 13.422 6.229 ( 2.075 8.577 0.566) 8.843 6.331 ( 0.324 -1.658 0.039) 1.690 6.464 ( -1.868 2.057 0.606) 2.844 6.542 ( 0.368 -6.673 0.687) 6.718 6.839 ( 2.999 6.082 -2.621) 7.270 6.933 ( 3.030 -3.901 -2.214) 5.413 8.162 ( -1.466 2.426 -0.329) 2.854 8.227 ( -1.019 -4.574 -0.846) 4.762 8.540 ( 1.815 1.492 0.155) 2.354 8.572 ( 2.476 -2.066 -0.027) 3.225 9.301 ( -2.822 5.945 -0.623) 6.610 9.391 ( -1.884 -3.415 -0.350) 3.916 9.465 ( -0.193 -0.212 -0.428) 0.515 9.477 ( 0.457 -1.417 -1.047) 1.820 9.831 ( -0.704 0.049 -1.328) 1.504 9.847 ( -0.709 -2.056 -1.090) 2.433 10.354 ( -3.788 4.724 -0.742) 6.100 10.409 ( -2.784 -1.438 -1.300) 3.393 11.685 ( -0.001 4.678 -0.895) 4.763 11.794 ( -1.046 -6.959 -1.328) 7.162 12.268 ( 0.145 3.801 -2.602) 4.608 12.327 ( -0.051 -2.681 -2.816) 3.889 13.081 ( 0.213 2.449 -0.498) 2.508 13.107 ( -0.767 -0.361 -1.533) 1.752 13.178 ( -0.361 0.237 -1.496) 1.557 13.198 ( -0.197 -1.689 -0.421) 1.752 13.308 ( 0.450 3.779 -0.330) 3.820 13.383 ( 0.505 -4.056 -0.346) 4.102 13.605 ( -0.543 1.717 -0.260) 1.820 13.635 ( -0.535 -1.483 -0.405) 1.628 13.873 ( 1.152 1.972 1.031) 2.506 13.909 ( 0.371 -1.879 1.133) 2.226 13.979 ( 1.050 0.469 1.842) 2.172 13.988 ( 1.370 -0.562 1.861) 2.378 ======================= Grid point 20 (13/102) ======================= q-point: ( 0.25 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 6.281 17.024 15.169) 23.650 1.454 ( 15.200 14.065 5.133) 21.336 1.520 ( 3.283 -12.162 8.121) 14.988 1.707 ( 10.915 -12.568 6.042) 17.709 1.926 ( 1.730 0.285 3.106) 3.567 1.967 ( 0.002 -4.127 5.729) 7.061 2.255 ( 7.111 3.296 -0.115) 7.839 2.286 ( 1.836 1.148 -1.127) 2.441 2.320 ( 1.822 1.586 1.159) 2.679 2.361 ( -0.682 -1.032 -0.103) 1.241 2.495 ( 0.527 4.233 3.826) 5.730 2.577 ( 2.188 -3.763 2.737) 5.142 2.721 ( 5.139 5.846 2.985) 8.337 2.791 ( 3.236 3.776 -0.208) 4.977 2.915 ( 4.606 3.380 3.768) 6.844 3.045 ( -1.836 -4.896 1.268) 5.380 3.110 ( -0.273 3.024 2.395) 3.867 3.168 ( 5.842 -2.429 4.302) 7.651 3.287 ( 1.207 3.250 -1.584) 3.811 3.319 ( -0.523 4.600 -0.924) 4.721 3.378 ( 0.711 -4.500 -1.926) 4.946 3.434 ( 5.586 -7.915 -0.473) 9.699 3.863 ( -0.588 4.047 3.706) 5.519 3.963 ( -0.112 -6.820 3.726) 7.773 4.302 ( 3.615 1.604 7.389) 8.381 4.336 ( 4.607 -1.663 7.270) 8.766 4.517 ( -3.623 2.027 -2.388) 4.789 4.594 ( -2.391 -5.985 -2.917) 7.074 5.156 ( 3.650 5.151 2.981) 6.982 5.248 ( 3.016 -4.774 2.950) 6.371 5.429 ( -0.143 13.996 -1.234) 14.051 5.685 ( 0.308 -14.013 -1.129) 14.062 6.278 ( 1.969 6.285 0.789) 6.633 6.341 ( 0.657 -0.709 -0.069) 0.969 6.442 ( -0.492 4.543 0.516) 4.599 6.560 ( 0.749 -7.725 1.285) 7.867 6.887 ( 3.356 6.253 -3.315) 7.832 6.985 ( 3.690 -4.353 -3.039) 6.466 8.126 ( -1.688 2.459 -0.592) 3.040 8.196 ( -1.250 -5.038 -1.339) 5.361 8.588 ( 2.611 1.985 0.203) 3.286 8.630 ( 3.076 -2.659 -0.108) 4.068 9.221 ( -4.226 6.473 -1.076) 7.805 9.328 ( -3.782 -4.957 -0.913) 6.302 9.459 ( -0.044 0.539 -0.761) 0.933 9.475 ( 0.154 -1.189 -1.460) 1.889 9.806 ( -0.611 0.408 -1.691) 1.844 9.822 ( -0.878 -1.620 -1.267) 2.236 10.249 ( -5.611 4.916 -1.383) 7.587 10.317 ( -4.998 -2.526 -2.080) 5.974 11.683 ( 0.591 3.189 -1.125) 3.433 11.761 ( -1.042 -5.133 -1.723) 5.514 12.250 ( 0.202 3.249 -3.574) 4.834 12.301 ( -0.302 -2.241 -3.942) 4.544 13.073 ( -1.042 1.005 -2.001) 2.470 13.080 ( 0.007 0.607 -1.658) 1.765 13.158 ( -0.489 1.023 -1.400) 1.802 13.190 ( -0.360 -1.729 -0.351) 1.800 13.319 ( 0.846 3.659 -0.413) 3.778 13.395 ( 0.898 -4.222 -0.486) 4.344 13.590 ( -0.667 1.701 -0.399) 1.870 13.618 ( -0.705 -1.279 -0.626) 1.589 13.906 ( 1.092 0.895 1.448) 2.023 13.924 ( 0.093 -0.912 1.574) 1.821 14.026 ( 2.128 0.614 2.332) 3.216 14.039 ( 2.025 -0.718 2.518) 3.310 ======================= Grid point 21 (14/102) ======================= q-point: ( 0.38 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 7.672 10.888 13.179) 18.737 1.657 ( 4.126 -6.952 6.815) 10.573 1.676 ( 6.218 10.977 -2.870) 12.938 1.830 ( 1.148 -5.965 -2.296) 6.494 2.009 ( 4.063 -0.704 4.467) 6.080 2.059 ( 4.311 -5.128 7.797) 10.280 2.256 ( -1.908 3.081 -0.384) 3.644 2.291 ( -1.730 -1.285 -0.608) 2.239 2.379 ( 3.697 2.165 -0.658) 4.335 2.410 ( 1.762 -0.160 0.955) 2.011 2.552 ( 4.353 1.192 1.488) 4.752 2.637 ( 1.852 -6.291 1.416) 6.709 2.767 ( -0.527 6.331 -2.860) 6.967 2.872 ( 1.449 -3.594 0.709) 3.939 2.923 ( -2.298 2.402 2.470) 4.141 2.954 ( -4.083 -1.654 1.432) 4.632 3.114 ( -2.611 5.840 -0.014) 6.398 3.240 ( -2.108 -5.378 0.991) 5.861 3.280 ( 1.067 3.871 0.354) 4.031 3.305 ( 1.325 1.400 -0.932) 2.141 3.524 ( 10.175 2.812 1.758) 10.702 3.589 ( 7.099 -3.476 1.704) 8.086 3.921 ( 2.802 3.460 4.001) 5.986 4.027 ( 3.365 -7.857 3.522) 9.244 4.391 ( 0.335 3.512 4.168) 5.461 4.409 ( -3.205 4.845 -2.300) 6.248 4.466 ( 1.626 -4.531 5.036) 6.967 4.530 ( -0.988 -7.331 -1.645) 7.578 5.240 ( 2.588 4.400 2.458) 5.666 5.314 ( 1.659 -2.875 2.163) 3.962 5.426 ( 0.394 13.298 -0.514) 13.313 5.682 ( -0.009 -14.079 -0.688) 14.096 6.307 ( 0.611 4.620 0.286) 4.669 6.356 ( 0.782 -0.870 -0.015) 1.170 6.452 ( 0.864 5.964 0.594) 6.056 6.584 ( 0.732 -7.699 1.127) 7.815 6.920 ( 1.791 6.864 -2.259) 7.445 7.029 ( 2.328 -4.896 -2.246) 5.868 8.095 ( -0.998 2.428 -0.489) 2.670 8.166 ( -0.808 -5.187 -1.043) 5.352 8.634 ( 1.734 2.025 -0.007) 2.666 8.679 ( 1.725 -2.934 -0.243) 3.412 9.140 ( -2.880 6.557 -0.752) 7.201 9.250 ( -3.029 -5.316 -0.745) 6.164 9.453 ( -0.039 0.349 -0.396) 0.529 9.465 ( -0.129 -0.883 -1.444) 1.698 9.789 ( -0.187 0.664 -1.048) 1.254 9.801 ( -0.539 -0.893 -0.612) 1.209 10.136 ( -4.352 4.546 -1.234) 6.413 10.206 ( -4.304 -3.038 -1.726) 5.544 11.694 ( 0.963 1.479 -0.677) 1.890 11.735 ( -0.596 -2.955 -1.157) 3.229 12.233 ( 0.149 2.359 -2.422) 3.385 12.270 ( -0.416 -1.592 -2.802) 3.249 13.040 ( -0.816 1.656 -1.632) 2.464 13.068 ( -0.202 -1.099 -1.484) 1.857 13.146 ( -0.174 1.927 -0.433) 1.983 13.181 ( -0.291 -1.425 -0.181) 1.466 13.333 ( 0.710 3.602 -0.257) 3.680 13.409 ( 0.718 -4.275 -0.347) 4.349 13.576 ( -0.408 1.589 -0.288) 1.666 13.603 ( -0.393 -1.259 -0.421) 1.384 13.928 ( 0.131 0.368 1.109) 1.176 13.935 ( 0.306 -0.354 0.955) 1.064 14.080 ( 1.705 0.495 1.537) 2.348 14.090 ( 1.485 -0.552 1.682) 2.310 ======================= Grid point 22 (15/102) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 0.000 5.941 0.000) 5.941 1.677 ( -0.000 8.346 -0.000) 8.346 1.738 ( 0.000 -1.464 -0.000) 1.464 1.829 ( 0.000 -5.379 0.000) 5.379 2.082 ( 0.000 1.108 0.000) 1.108 2.134 ( 0.000 -2.189 0.000) 2.189 2.228 ( 0.000 2.402 0.000) 2.402 2.266 ( 0.000 -2.750 -0.000) 2.750 2.422 ( 0.000 2.820 0.000) 2.820 2.435 ( 0.000 0.581 0.000) 0.581 2.635 ( 0.000 -4.280 0.000) 4.280 2.648 ( -0.000 -5.514 0.000) 5.514 2.716 ( 0.000 5.803 0.000) 5.803 2.825 ( 0.000 -5.585 0.000) 5.585 2.921 ( 0.000 4.611 0.000) 4.611 2.996 ( 0.000 -4.158 0.000) 4.158 3.044 ( -0.000 9.190 -0.000) 9.190 3.204 ( 0.000 -6.635 -0.000) 6.635 3.303 ( 0.000 3.174 0.000) 3.174 3.314 ( -0.000 1.327 -0.000) 1.327 3.653 ( 0.000 2.147 0.000) 2.147 3.669 ( 0.000 0.421 0.000) 0.421 3.977 ( 0.000 3.670 0.000) 3.670 4.086 ( 0.000 -7.206 0.000) 7.206 4.360 ( 0.000 2.492 0.000) 2.492 4.374 ( 0.000 0.589 0.000) 0.589 4.498 ( 0.000 -2.202 0.000) 2.202 4.541 ( 0.000 -5.343 0.000) 5.343 5.276 ( 0.000 3.940 0.000) 3.940 5.337 ( 0.000 -1.034 0.000) 1.034 5.430 ( 0.000 11.749 0.000) 11.749 5.679 ( 0.000 -13.886 0.000) 13.886 6.313 ( 0.000 4.439 0.000) 4.439 6.365 ( 0.000 -1.129 0.000) 1.129 6.466 ( 0.000 5.980 0.000) 5.980 6.596 ( 0.000 -7.488 0.000) 7.488 6.930 ( 0.000 7.227 0.000) 7.227 7.045 ( 0.000 -5.171 0.000) 5.171 8.083 ( 0.000 2.399 0.000) 2.399 8.154 ( 0.000 -5.156 0.000) 5.156 8.652 ( 0.000 1.847 0.000) 1.847 8.694 ( 0.000 -2.898 0.000) 2.898 9.109 ( 0.000 6.394 0.000) 6.394 9.215 ( 0.000 -5.198 0.000) 5.198 9.454 ( 0.000 -0.138 0.000) 0.138 9.456 ( 0.000 -0.455 -0.000) 0.455 9.783 ( 0.000 0.788 0.000) 0.788 9.794 ( 0.000 -0.555 0.000) 0.555 10.085 ( 0.000 4.261 0.000) 4.261 10.153 ( 0.000 -3.112 0.000) 3.112 11.705 ( 0.000 0.338 0.000) 0.338 11.723 ( 0.000 -1.616 0.000) 1.616 12.227 ( 0.000 1.846 0.000) 1.846 12.255 ( 0.000 -1.194 0.000) 1.194 13.025 ( 0.000 1.887 0.000) 1.887 13.060 ( 0.000 -1.632 0.000) 1.632 13.143 ( 0.000 2.085 -0.000) 2.085 13.178 ( 0.000 -1.256 0.000) 1.256 13.340 ( 0.000 3.591 0.000) 3.591 13.416 ( 0.000 -4.259 0.000) 4.259 13.571 ( 0.000 1.543 -0.000) 1.543 13.598 ( 0.000 -1.287 0.000) 1.287 13.932 ( 0.000 0.567 0.000) 0.567 13.942 ( 0.000 -0.552 0.000) 0.552 14.103 ( 0.000 0.413 0.000) 0.413 14.111 ( 0.000 -0.430 0.000) 0.430 ======================= Grid point 45 (16/102) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( 6.864 0.000 20.630) 21.742 0.496 ( -8.321 0.000 23.376) 24.812 1.145 ( 0.591 0.000 52.863) 52.866 1.788 ( 1.452 0.000 9.542) 9.652 1.828 ( 2.223 0.000 -2.407) 3.276 2.067 ( 0.310 0.000 -0.003) 0.310 2.130 ( 0.344 0.000 -0.599) 0.691 2.157 ( 3.191 0.000 4.295) 5.351 2.213 ( 0.142 0.000 2.749) 2.752 2.378 ( 0.852 0.000 -1.503) 1.727 2.406 ( 2.379 0.000 0.164) 2.384 2.465 ( -2.009 0.000 6.031) 6.357 2.597 ( 2.759 0.000 1.927) 3.365 2.734 ( 3.379 0.000 2.928) 4.471 2.806 ( 9.379 0.000 -5.187) 10.718 2.971 ( -3.032 0.000 -0.452) 3.066 2.999 ( 5.061 0.000 0.277) 5.069 3.177 ( 0.096 0.000 2.012) 2.014 3.240 ( 1.491 0.000 2.280) 2.724 3.280 ( 1.024 0.000 1.388) 1.725 3.439 ( -2.276 0.000 -2.722) 3.548 3.522 ( -1.343 0.000 1.020) 1.686 3.936 ( -4.210 0.000 -1.147) 4.363 4.113 ( -1.641 0.000 -1.796) 2.433 4.149 ( 7.212 0.000 5.742) 9.219 4.277 ( 3.540 0.000 6.871) 7.729 4.603 ( -0.055 0.000 -3.863) 3.863 4.925 ( 2.122 0.000 0.089) 2.124 4.938 ( -0.694 0.000 1.139) 1.334 4.990 ( -1.266 0.000 -2.532) 2.831 5.275 ( 3.997 0.000 0.483) 4.026 6.004 ( -0.995 0.000 3.856) 3.983 6.138 ( -1.660 0.000 1.690) 2.369 6.160 ( -0.762 0.000 -0.143) 0.775 6.419 ( 5.528 0.000 -5.274) 7.640 6.630 ( -6.191 0.000 2.410) 6.644 6.755 ( 0.168 0.000 1.447) 1.456 6.998 ( -4.053 0.000 2.532) 4.779 8.119 ( 1.042 0.000 -2.383) 2.601 8.383 ( -1.701 0.000 -0.439) 1.757 8.486 ( 0.424 0.000 0.928) 1.020 8.625 ( -0.906 0.000 2.053) 2.244 9.174 ( -0.504 0.000 -0.940) 1.067 9.414 ( -0.662 0.000 -0.652) 0.929 9.477 ( 0.582 0.000 -1.533) 1.640 9.519 ( -0.308 0.000 -2.042) 2.065 9.840 ( -1.511 0.000 -1.357) 2.031 9.970 ( -0.205 0.000 -2.748) 2.756 10.178 ( 0.620 0.000 -0.642) 0.892 10.426 ( -1.241 0.000 -1.225) 1.744 11.593 ( -0.268 0.000 -1.055) 1.089 12.013 ( -1.163 0.000 -4.436) 4.586 12.138 ( -2.309 0.000 1.052) 2.537 12.375 ( -2.559 0.000 -1.087) 2.780 13.000 ( 0.185 0.000 -0.038) 0.189 13.115 ( -1.323 0.000 -1.338) 1.881 13.185 ( -0.172 0.000 -0.763) 0.782 13.186 ( -2.145 0.000 -0.563) 2.218 13.278 ( -0.471 0.000 -0.011) 0.471 13.454 ( -0.049 0.000 -0.645) 0.647 13.578 ( -0.431 0.000 0.541) 0.692 13.669 ( -1.124 0.000 -0.619) 1.283 13.803 ( 1.635 0.000 0.818) 1.828 13.956 ( 1.003 0.000 0.863) 1.323 13.972 ( 2.522 0.000 1.002) 2.713 14.009 ( 0.635 0.000 3.054) 3.119 ======================= Grid point 46 (17/102) ======================= q-point: ( 0.12 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 12.519 0.000 15.840) 20.190 0.968 ( 20.092 0.000 20.456) 28.673 1.645 ( 19.544 0.000 34.056) 39.266 1.800 ( -1.378 0.000 -0.584) 1.497 1.925 ( 3.938 0.000 6.885) 7.932 2.065 ( -0.501 0.000 -0.009) 0.501 2.144 ( 1.159 0.000 0.694) 1.351 2.242 ( -0.037 0.000 4.854) 4.854 2.333 ( 6.426 0.000 6.754) 9.322 2.364 ( 1.115 0.000 -2.232) 2.495 2.441 ( 0.692 0.000 0.421) 0.810 2.472 ( 0.106 0.000 5.647) 5.648 2.676 ( -8.116 0.000 3.105) 8.690 2.685 ( 3.844 0.000 3.434) 5.155 2.941 ( 6.242 0.000 -5.876) 8.572 2.992 ( 2.317 0.000 0.351) 2.343 3.084 ( 3.596 0.000 1.646) 3.955 3.179 ( -0.865 0.000 0.789) 1.171 3.285 ( -3.941 0.000 -0.872) 4.037 3.323 ( 3.909 0.000 4.143) 5.696 3.389 ( 1.376 0.000 -0.328) 1.415 3.552 ( 3.460 0.000 2.443) 4.235 3.857 ( -3.382 0.000 2.673) 4.311 4.116 ( 2.015 0.000 0.998) 2.248 4.316 ( 5.004 0.000 5.360) 7.333 4.378 ( 1.117 0.000 5.710) 5.818 4.567 ( 0.193 0.000 -2.904) 2.910 4.917 ( -1.497 0.000 0.710) 1.657 4.935 ( -2.280 0.000 -4.717) 5.239 4.990 ( 3.538 0.000 1.510) 3.847 5.358 ( 3.251 0.000 0.864) 3.363 6.038 ( 1.834 0.000 2.843) 3.383 6.138 ( -1.202 0.000 -0.257) 1.229 6.163 ( 2.715 0.000 2.470) 3.671 6.428 ( -2.244 0.000 -3.096) 3.823 6.592 ( 2.236 0.000 -0.478) 2.287 6.770 ( 0.254 0.000 2.241) 2.255 6.990 ( 1.200 0.000 1.305) 1.773 8.111 ( -0.279 0.000 -2.152) 2.170 8.342 ( -1.536 0.000 -1.103) 1.891 8.514 ( 1.541 0.000 1.211) 1.960 8.653 ( 2.213 0.000 1.800) 2.853 9.122 ( -3.722 0.000 -1.377) 3.969 9.406 ( 0.136 0.000 -0.938) 0.948 9.467 ( -0.268 0.000 -3.969) 3.978 9.494 ( -0.873 0.000 -0.606) 1.063 9.788 ( -2.066 0.000 -2.607) 3.327 9.932 ( -1.629 0.000 -2.710) 3.162 10.157 ( -2.516 0.000 -0.108) 2.518 10.374 ( -2.589 0.000 -2.747) 3.775 11.592 ( 0.990 0.000 -1.165) 1.529 11.931 ( -3.325 0.000 -4.781) 5.823 12.117 ( -0.137 0.000 0.373) 0.397 12.319 ( -1.770 0.000 -2.348) 2.941 13.012 ( 0.923 0.000 -0.019) 0.923 13.065 ( -2.278 0.000 -2.011) 3.039 13.147 ( -1.100 0.000 -1.203) 1.630 13.175 ( -0.254 0.000 -0.941) 0.975 13.279 ( 0.352 0.000 -0.074) 0.360 13.457 ( 0.786 0.000 -0.710) 1.059 13.565 ( -0.964 0.000 0.318) 1.015 13.639 ( -1.035 0.000 -1.005) 1.443 13.857 ( 2.630 0.000 1.114) 2.856 13.994 ( -0.828 0.000 1.287) 1.530 13.997 ( 2.100 0.000 1.758) 2.738 14.059 ( 1.787 0.000 3.427) 3.865 ======================= Grid point 47 (18/102) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 14.161 0.000 9.725) 17.179 1.402 ( 9.054 0.000 26.033) 27.563 1.771 ( -0.344 0.000 -1.020) 1.077 2.006 ( 3.412 0.000 0.706) 3.485 2.045 ( -1.812 0.000 0.504) 1.881 2.158 ( -1.063 0.000 0.739) 1.294 2.213 ( -3.387 0.000 3.363) 4.774 2.260 ( 21.917 0.000 10.433) 24.273 2.369 ( -0.679 0.000 -3.075) 3.149 2.420 ( -1.282 0.000 9.387) 9.474 2.450 ( 0.381 0.000 -0.153) 0.411 2.582 ( -1.409 0.000 0.327) 1.446 2.613 ( 7.596 0.000 3.645) 8.426 2.793 ( 4.057 0.000 5.258) 6.642 2.946 ( -0.033 0.000 -9.449) 9.449 3.034 ( 1.641 0.000 0.954) 1.898 3.121 ( -4.252 0.000 0.384) 4.270 3.186 ( -1.300 0.000 -3.080) 3.343 3.209 ( 4.889 0.000 5.970) 7.716 3.374 ( -2.405 0.000 4.382) 4.999 3.415 ( 0.728 0.000 -2.177) 2.296 3.650 ( 2.552 0.000 3.934) 4.690 3.865 ( 2.154 0.000 3.096) 3.772 4.187 ( 3.181 0.000 1.578) 3.551 4.360 ( -2.735 0.000 -0.691) 2.821 4.382 ( -1.207 0.000 2.680) 2.940 4.612 ( 3.308 0.000 2.036) 3.884 4.851 ( -2.779 0.000 -4.238) 5.067 4.907 ( 0.641 0.000 -0.248) 0.687 5.081 ( 4.270 0.000 1.504) 4.527 5.413 ( 1.649 0.000 0.964) 1.910 6.104 ( 3.345 0.000 0.862) 3.454 6.113 ( -1.401 0.000 0.566) 1.511 6.253 ( 2.975 0.000 4.347) 5.267 6.363 ( -1.432 0.000 -1.528) 2.094 6.647 ( 2.977 0.000 -0.914) 3.115 6.793 ( 0.291 0.000 2.336) 2.354 7.042 ( 3.179 0.000 0.737) 3.263 8.085 ( -0.825 0.000 -1.814) 1.993 8.311 ( -0.888 0.000 -0.931) 1.287 8.557 ( 1.939 0.000 0.771) 2.086 8.723 ( 3.468 0.000 1.398) 3.739 9.025 ( -4.742 0.000 -0.985) 4.843 9.394 ( -1.797 0.000 -0.982) 2.048 9.427 ( 0.369 0.000 -3.781) 3.799 9.481 ( -0.333 0.000 -0.215) 0.396 9.738 ( -1.000 0.000 -2.459) 2.655 9.881 ( -1.884 0.000 -1.469) 2.389 10.085 ( -4.482 0.000 0.351) 4.496 10.294 ( -3.237 0.000 -3.226) 4.570 11.620 ( 2.423 0.000 -0.656) 2.510 11.841 ( -2.695 0.000 -3.286) 4.250 12.137 ( 1.448 0.000 1.360) 1.986 12.281 ( -0.687 0.000 -1.355) 1.519 13.013 ( -1.619 0.000 -1.441) 2.167 13.033 ( 1.193 0.000 -0.115) 1.198 13.128 ( -0.327 0.000 -0.204) 0.385 13.164 ( -0.172 0.000 -0.785) 0.804 13.287 ( 0.467 0.000 -0.077) 0.474 13.475 ( 1.302 0.000 -0.525) 1.404 13.549 ( -0.818 0.000 0.248) 0.855 13.620 ( -0.285 0.000 -0.737) 0.790 13.909 ( 1.989 0.000 0.319) 2.014 13.972 ( -1.911 0.000 0.907) 2.115 14.053 ( 2.128 0.000 1.645) 2.689 14.108 ( 1.066 0.000 2.362) 2.592 ======================= Grid point 48 (19/102) ======================= q-point: ( 0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 7.779 0.000 6.748) 10.298 1.649 ( -1.171 0.000 19.880) 19.915 1.777 ( 1.265 0.000 -1.113) 1.685 1.995 ( -3.524 0.000 1.358) 3.776 2.050 ( 1.261 0.000 -1.228) 1.760 2.113 ( -1.884 0.000 1.411) 2.354 2.185 ( -1.530 0.000 0.694) 1.680 2.330 ( -0.371 0.000 -2.332) 2.362 2.425 ( -3.099 0.000 4.732) 5.657 2.490 ( 4.931 0.000 -0.416) 4.949 2.560 ( -1.508 0.000 -3.792) 4.081 2.598 ( 7.378 0.000 -0.217) 7.382 2.766 ( 7.867 0.000 2.071) 8.135 2.864 ( -0.818 0.000 -9.295) 9.331 2.879 ( 1.603 0.000 3.085) 3.476 2.998 ( -7.189 0.000 -0.468) 7.204 3.055 ( -0.378 0.000 -0.587) 0.698 3.152 ( -1.797 0.000 0.613) 1.899 3.319 ( -4.647 0.000 4.583) 6.527 3.342 ( -0.002 0.000 -1.297) 1.297 3.495 ( 10.638 0.000 4.049) 11.382 3.674 ( -1.787 0.000 1.733) 2.490 3.924 ( 1.403 0.000 -0.623) 1.535 4.196 ( -1.500 0.000 -1.877) 2.403 4.329 ( -3.392 0.000 -2.068) 3.973 4.346 ( 0.868 0.000 -0.115) 0.876 4.665 ( 0.735 0.000 -1.621) 1.780 4.789 ( -1.043 0.000 -1.115) 1.527 4.932 ( 1.791 0.000 -0.705) 1.925 5.153 ( 2.115 0.000 -0.660) 2.215 5.428 ( -0.217 0.000 -1.096) 1.117 6.092 ( -1.312 0.000 1.700) 2.147 6.163 ( 1.831 0.000 0.203) 1.842 6.299 ( 0.645 0.000 1.123) 1.295 6.373 ( 0.857 0.000 2.177) 2.340 6.696 ( 2.058 0.000 1.423) 2.502 6.801 ( -0.665 0.000 0.581) 0.883 7.119 ( 3.266 0.000 2.437) 4.075 8.062 ( -0.376 0.000 -1.557) 1.602 8.299 ( -0.022 0.000 0.412) 0.412 8.596 ( 1.576 0.000 0.219) 1.591 8.795 ( 2.664 0.000 1.166) 2.908 8.941 ( -3.067 0.000 0.036) 3.067 9.339 ( -1.939 0.000 -1.351) 2.363 9.427 ( 0.815 0.000 -2.080) 2.234 9.483 ( 0.673 0.000 0.660) 0.943 9.725 ( 0.902 0.000 -1.146) 1.458 9.844 ( -1.276 0.000 0.224) 1.296 10.004 ( -3.475 0.000 0.648) 3.535 10.220 ( -1.905 0.000 -1.968) 2.739 11.675 ( 3.056 0.000 0.163) 3.060 11.788 ( -1.341 0.000 -0.946) 1.641 12.186 ( 1.651 0.000 3.380) 3.762 12.279 ( 0.503 0.000 1.460) 1.544 12.989 ( -0.262 0.000 0.038) 0.264 13.053 ( 0.849 0.000 -0.260) 0.888 13.133 ( 0.376 0.000 1.716) 1.757 13.159 ( 0.083 0.000 -0.344) 0.354 13.296 ( 0.350 0.000 -0.019) 0.350 13.498 ( 1.137 0.000 -0.064) 1.139 13.538 ( -0.437 0.000 0.275) 0.516 13.617 ( 0.228 0.000 -0.279) 0.360 13.937 ( 0.925 0.000 -0.700) 1.159 13.937 ( -1.709 0.000 -0.179) 1.718 14.091 ( 0.781 0.000 0.548) 0.955 14.126 ( -0.252 0.000 0.424) 0.494 ======================= Grid point 49 (20/102) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -1.766 0.000 5.473) 5.750 1.559 ( -15.529 0.000 8.464) 17.685 1.782 ( -0.487 0.000 -1.289) 1.378 1.957 ( -0.435 0.000 1.706) 1.761 2.065 ( 1.574 0.000 -0.973) 1.851 2.129 ( -3.513 0.000 -3.383) 4.877 2.160 ( 2.821 0.000 6.145) 6.761 2.311 ( -7.943 0.000 -4.487) 9.123 2.323 ( 0.890 0.000 -1.701) 1.919 2.451 ( -4.652 0.000 -5.769) 7.411 2.646 ( 7.078 0.000 1.526) 7.240 2.687 ( 1.260 0.000 3.788) 3.992 2.816 ( -7.552 0.000 -2.702) 8.021 2.830 ( 4.225 0.000 -7.874) 8.936 2.884 ( 0.016 0.000 0.091) 0.092 2.936 ( 1.851 0.000 -0.294) 1.874 2.986 ( -4.302 0.000 -5.471) 6.960 3.108 ( -2.313 0.000 0.515) 2.370 3.282 ( -2.351 0.000 4.228) 4.838 3.323 ( 0.538 0.000 -2.199) 2.264 3.628 ( -2.041 0.000 1.989) 2.850 3.635 ( -1.490 0.000 -0.660) 1.629 3.885 ( -3.107 0.000 -5.179) 6.039 4.202 ( 3.076 0.000 1.197) 3.300 4.249 ( -1.852 0.000 -5.793) 6.082 4.321 ( -2.239 0.000 -3.324) 4.008 4.609 ( -2.838 0.000 -6.473) 7.067 4.809 ( 2.417 0.000 1.766) 2.994 4.954 ( 0.586 0.000 -0.487) 0.762 5.145 ( -1.629 0.000 -2.982) 3.398 5.394 ( -1.432 0.000 -3.671) 3.940 6.090 ( -0.188 0.000 2.486) 2.493 6.178 ( -0.220 0.000 0.372) 0.432 6.316 ( 0.653 0.000 -1.216) 1.380 6.376 ( -2.535 0.000 3.758) 4.534 6.754 ( 1.885 0.000 3.900) 4.332 6.776 ( -1.426 0.000 -1.057) 1.775 7.187 ( 0.889 0.000 4.322) 4.412 8.051 ( 0.357 0.000 -1.482) 1.524 8.319 ( 1.069 0.000 2.087) 2.345 8.613 ( -0.308 0.000 0.080) 0.318 8.832 ( -0.007 0.000 1.449) 1.449 8.917 ( 0.579 0.000 0.764) 0.959 9.319 ( 0.798 0.000 -0.580) 0.987 9.428 ( 0.622 0.000 -1.553) 1.673 9.514 ( 1.172 0.000 1.816) 2.161 9.756 ( 2.193 0.000 0.541) 2.259 9.837 ( 0.045 0.000 1.377) 1.378 9.970 ( -0.234 0.000 0.750) 0.786 10.214 ( 2.123 0.000 -0.087) 2.124 11.714 ( -0.207 0.000 0.292) 0.357 11.790 ( 2.091 0.000 1.490) 2.567 12.231 ( -0.062 0.000 5.031) 5.032 12.324 ( 1.830 0.000 4.659) 5.006 13.003 ( 1.095 0.000 1.679) 2.005 13.060 ( -0.009 0.000 -0.395) 0.395 13.163 ( 0.858 0.000 3.476) 3.580 13.164 ( 0.441 0.000 0.121) 0.457 13.299 ( -0.000 0.000 -0.039) 0.039 13.514 ( 0.299 0.000 0.443) 0.534 13.535 ( -0.027 0.000 0.301) 0.303 13.623 ( 0.417 0.000 0.163) 0.448 13.907 ( -0.823 0.000 -1.314) 1.550 13.936 ( -0.268 0.000 -1.542) 1.565 14.087 ( -1.178 0.000 -0.763) 1.404 14.105 ( -1.428 0.000 -1.459) 2.041 ======================= Grid point 50 (21/102) ======================= q-point: (-0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -21.097 0.000 9.613) 23.184 1.356 ( -11.592 0.000 6.881) 13.481 1.749 ( -1.082 0.000 -1.862) 2.154 2.000 ( 2.765 0.000 1.321) 3.064 2.024 ( -2.163 0.000 -6.216) 6.582 2.055 ( -6.125 0.000 -3.302) 6.959 2.120 ( -2.579 0.000 -3.851) 4.635 2.246 ( -0.050 0.000 3.066) 3.066 2.332 ( -1.225 0.000 -5.648) 5.779 2.349 ( 0.892 0.000 -2.092) 2.274 2.577 ( -15.516 0.000 0.220) 15.518 2.653 ( -5.500 0.000 0.191) 5.503 2.675 ( -5.049 0.000 -1.851) 5.378 2.751 ( -10.218 0.000 -1.126) 10.280 2.848 ( -1.750 0.000 -12.106) 12.231 2.954 ( 0.758 0.000 -2.996) 3.091 2.981 ( 10.487 0.000 -3.790) 11.151 3.138 ( 4.628 0.000 -0.597) 4.666 3.259 ( -2.272 0.000 2.859) 3.652 3.301 ( -3.628 0.000 1.988) 4.137 3.541 ( -3.542 0.000 0.074) 3.543 3.616 ( 0.162 0.000 -3.549) 3.553 3.785 ( -2.357 0.000 -2.760) 3.629 4.179 ( -4.527 0.000 -2.720) 5.282 4.181 ( -0.561 0.000 -7.485) 7.506 4.326 ( 1.586 0.000 0.183) 1.596 4.513 ( -0.470 0.000 -6.713) 6.730 4.891 ( 4.078 0.000 2.150) 4.610 4.948 ( -0.934 0.000 0.117) 0.942 5.065 ( -3.779 0.000 -3.333) 5.039 5.338 ( -1.124 0.000 -4.622) 4.757 6.117 ( 1.013 0.000 2.683) 2.867 6.163 ( -1.883 0.000 0.925) 2.098 6.294 ( -1.323 0.000 -2.513) 2.840 6.342 ( -3.407 0.000 4.454) 5.608 6.744 ( -0.901 0.000 -0.974) 1.327 6.806 ( 0.169 0.000 4.606) 4.609 7.199 ( -2.801 0.000 4.881) 5.627 8.056 ( 1.149 0.000 -1.643) 2.005 8.360 ( 1.240 0.000 2.870) 3.126 8.582 ( -2.471 0.000 -0.134) 2.475 8.808 ( -3.339 0.000 1.695) 3.745 8.972 ( 4.071 0.000 1.042) 4.202 9.361 ( 3.207 0.000 -0.174) 3.211 9.435 ( 0.970 0.000 -0.990) 1.386 9.540 ( 0.188 0.000 1.703) 1.714 9.806 ( 1.691 0.000 2.068) 2.671 9.866 ( 2.140 0.000 0.960) 2.345 10.004 ( 2.932 0.000 0.498) 2.974 10.293 ( 4.914 0.000 0.938) 5.002 11.688 ( -2.169 0.000 0.579) 2.245 11.866 ( 3.706 0.000 2.087) 4.253 12.248 ( -1.829 0.000 5.840) 6.120 12.393 ( 1.215 0.000 5.844) 5.969 13.048 ( 1.793 0.000 2.600) 3.158 13.049 ( -0.796 0.000 -0.410) 0.896 13.176 ( 0.548 0.000 0.266) 0.610 13.207 ( 0.750 0.000 4.277) 4.343 13.296 ( -0.236 0.000 -0.035) 0.238 13.513 ( -0.817 0.000 0.534) 0.976 13.541 ( 0.372 0.000 0.336) 0.501 13.635 ( 0.538 0.000 0.495) 0.731 13.891 ( 0.388 0.000 -2.011) 2.048 13.908 ( -1.352 0.000 -1.908) 2.338 14.040 ( -2.502 0.000 -1.529) 2.932 14.057 ( -1.906 0.000 -2.263) 2.959 ======================= Grid point 51 (22/102) ======================= q-point: (-0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -20.618 0.000 20.188) 28.856 1.089 ( -20.554 0.000 10.315) 22.997 1.734 ( 0.345 0.000 -1.610) 1.646 1.813 ( -22.622 0.000 -1.270) 22.658 1.923 ( -20.451 0.000 -4.824) 21.012 2.013 ( 5.273 0.000 -4.820) 7.145 2.061 ( 1.958 0.000 0.104) 1.961 2.114 ( 0.458 0.000 -0.600) 0.755 2.240 ( -1.578 0.000 -8.798) 8.939 2.404 ( -4.106 0.000 8.282) 9.244 2.418 ( 5.968 0.000 -0.956) 6.044 2.523 ( -5.906 0.000 0.099) 5.906 2.524 ( -7.715 0.000 -1.927) 7.952 2.606 ( -2.643 0.000 -3.222) 4.167 2.758 ( 0.062 0.000 -10.558) 10.558 2.924 ( -0.267 0.000 -5.260) 5.267 3.091 ( 2.153 0.000 -2.838) 3.563 3.186 ( -0.861 0.000 0.510) 1.001 3.241 ( -0.523 0.000 -0.975) 1.107 3.278 ( 0.504 0.000 2.324) 2.378 3.499 ( -1.686 0.000 0.301) 1.712 3.591 ( -0.035 0.000 -2.169) 2.169 3.798 ( 2.960 0.000 3.768) 4.792 4.115 ( -0.104 0.000 0.096) 0.141 4.127 ( -0.226 0.000 -7.520) 7.523 4.266 ( -4.153 0.000 -4.080) 5.822 4.543 ( 4.171 0.000 -2.092) 4.666 4.924 ( -1.453 0.000 0.154) 1.461 4.976 ( -2.772 0.000 -1.893) 3.357 4.982 ( 3.567 0.000 1.227) 3.772 5.294 ( -0.451 0.000 -4.194) 4.219 6.108 ( -4.594 0.000 2.186) 5.088 6.153 ( 0.813 0.000 2.119) 2.270 6.257 ( -2.230 0.000 0.384) 2.262 6.305 ( -0.753 0.000 -0.019) 0.753 6.732 ( 0.068 0.000 -0.051) 0.085 6.808 ( -3.028 0.000 4.187) 5.168 7.149 ( -4.929 0.000 4.534) 6.697 8.075 ( 1.857 0.000 -1.937) 2.684 8.394 ( 0.253 0.000 2.439) 2.452 8.528 ( -2.559 0.000 -0.156) 2.563 8.737 ( -4.655 0.000 1.852) 5.009 9.071 ( 4.803 0.000 0.645) 4.846 9.416 ( 1.859 0.000 0.282) 1.880 9.453 ( 1.485 0.000 -1.158) 1.883 9.545 ( -0.202 0.000 0.182) 0.271 9.844 ( 0.790 0.000 2.013) 2.162 9.924 ( 2.981 0.000 -0.171) 2.986 10.077 ( 3.921 0.000 -0.091) 3.922 10.390 ( 3.671 0.000 0.858) 3.770 11.647 ( -2.097 0.000 0.307) 2.119 11.952 ( 3.742 0.000 1.006) 3.875 12.233 ( -3.332 0.000 5.033) 6.036 12.434 ( -0.691 0.000 4.584) 4.636 13.026 ( -1.080 0.000 -0.359) 1.138 13.098 ( 1.485 0.000 2.182) 2.639 13.187 ( 0.364 0.000 0.066) 0.370 13.238 ( -0.440 0.000 3.537) 3.564 13.291 ( -0.214 0.000 0.061) 0.222 13.492 ( -1.365 0.000 0.099) 1.369 13.555 ( 0.705 0.000 0.545) 0.891 13.652 ( 0.812 0.000 0.729) 1.091 13.859 ( -2.261 0.000 -1.827) 2.907 13.897 ( 1.528 0.000 -1.915) 2.450 13.982 ( -2.095 0.000 -1.300) 2.465 14.011 ( -1.367 0.000 -1.298) 1.886 ======================= Grid point 52 (23/102) ======================= q-point: (-0.12 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( -19.584 0.000 21.598) 29.155 0.723 ( -23.439 0.000 16.117) 28.445 1.112 ( -35.333 0.000 26.339) 44.070 1.733 ( -1.388 0.000 3.961) 4.197 1.802 ( 1.933 0.000 -3.731) 4.203 2.066 ( -0.329 0.000 -1.208) 1.252 2.096 ( 1.904 0.000 2.175) 2.890 2.120 ( 0.722 0.000 -0.631) 0.959 2.255 ( 9.896 0.000 -8.026) 12.741 2.292 ( -8.538 0.000 2.898) 9.016 2.431 ( -3.366 0.000 1.493) 3.683 2.461 ( -1.363 0.000 4.730) 4.922 2.574 ( 0.462 0.000 -2.210) 2.257 2.577 ( 8.917 0.000 0.540) 8.934 2.721 ( 3.030 0.000 -8.121) 8.667 2.911 ( 2.245 0.000 -1.961) 2.981 3.061 ( -3.420 0.000 -1.026) 3.570 3.169 ( -1.061 0.000 2.135) 2.384 3.223 ( -0.151 0.000 -0.420) 0.447 3.279 ( -0.824 0.000 -0.121) 0.833 3.476 ( -1.083 0.000 -0.213) 1.104 3.564 ( -2.600 0.000 0.764) 2.710 3.930 ( 6.173 0.000 4.295) 7.520 4.064 ( -1.693 0.000 -4.058) 4.397 4.161 ( 1.154 0.000 0.919) 1.476 4.179 ( -0.306 0.000 0.235) 0.386 4.597 ( 2.510 0.000 -2.553) 3.580 4.904 ( 0.064 0.000 -0.698) 0.701 4.942 ( -0.569 0.000 0.350) 0.668 5.028 ( 0.603 0.000 -1.452) 1.572 5.260 ( -0.674 0.000 -3.157) 3.229 6.033 ( -4.080 0.000 3.176) 5.171 6.169 ( -0.240 0.000 0.840) 0.873 6.192 ( -4.537 0.000 2.573) 5.215 6.338 ( 4.913 0.000 -4.208) 6.468 6.741 ( -6.051 0.000 3.307) 6.896 6.741 ( 0.455 0.000 0.795) 0.916 7.079 ( -4.525 0.000 2.984) 5.420 8.102 ( 2.086 0.000 -2.208) 3.037 8.401 ( -0.660 0.000 1.264) 1.426 8.490 ( -1.198 0.000 0.278) 1.230 8.662 ( -3.856 0.000 2.004) 4.346 9.152 ( 2.905 0.000 -0.162) 2.909 9.435 ( -0.169 0.000 -0.035) 0.172 9.470 ( 0.937 0.000 -1.259) 1.569 9.535 ( -0.200 0.000 -1.807) 1.818 9.859 ( -0.193 0.000 0.497) 0.533 9.968 ( 1.846 0.000 -1.564) 2.419 10.145 ( 2.979 0.000 -0.613) 3.041 10.436 ( 0.682 0.000 0.118) 0.692 11.613 ( -1.235 0.000 -0.397) 1.298 12.014 ( 2.375 0.000 -1.281) 2.699 12.187 ( -3.707 0.000 2.996) 4.767 12.424 ( -2.292 0.000 1.728) 2.871 13.006 ( -0.669 0.000 -0.207) 0.700 13.127 ( 0.372 0.000 0.527) 0.645 13.190 ( 0.064 0.000 -0.353) 0.359 13.229 ( -2.079 0.000 1.361) 2.485 13.289 ( -0.142 0.000 -0.025) 0.144 13.467 ( -0.883 0.000 -0.371) 0.958 13.572 ( 0.508 0.000 0.742) 0.900 13.673 ( 0.652 0.000 0.632) 0.908 13.805 ( -1.709 0.000 -1.076) 2.020 13.923 ( 1.889 0.000 -0.647) 1.997 13.950 ( -0.531 0.000 -0.334) 0.627 13.993 ( -0.319 0.000 0.979) 1.030 ======================= Grid point 53 (24/102) ======================= q-point: ( 0.00 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 16.203 23.077 9.656) 29.804 0.802 ( -4.339 19.142 20.214) 28.176 1.354 ( -4.262 21.616 38.541) 44.394 1.658 ( 2.457 -12.039 12.862) 17.788 1.748 ( 3.503 -8.719 -2.752) 9.791 2.015 ( 0.007 -3.881 -0.384) 3.900 2.139 ( 1.824 0.323 -1.321) 2.275 2.208 ( 2.072 3.712 2.455) 4.910 2.291 ( 1.600 4.954 1.337) 5.375 2.331 ( 1.758 -2.387 3.774) 4.799 2.432 ( -1.879 2.133 0.273) 2.856 2.512 ( -1.274 4.965 3.587) 6.256 2.572 ( 2.140 -2.177 2.382) 3.873 2.696 ( 4.306 -2.919 3.800) 6.442 2.804 ( 5.785 -1.786 -3.143) 6.822 2.974 ( -0.954 0.385 -0.145) 1.039 3.038 ( 3.612 4.440 1.490) 5.914 3.143 ( 0.281 -4.253 6.506) 7.777 3.260 ( 0.977 2.026 -0.885) 2.417 3.286 ( 0.825 1.148 -0.727) 1.590 3.434 ( -1.931 -0.178 -3.394) 3.909 3.460 ( -1.705 -6.621 1.356) 6.970 3.942 ( -2.756 0.358 -2.283) 3.597 4.078 ( -0.213 -3.065 -1.753) 3.537 4.160 ( 6.133 0.398 5.700) 8.382 4.248 ( 4.203 -2.529 6.976) 8.528 4.588 ( -0.226 -1.059 -3.478) 3.643 4.761 ( -1.313 -9.149 -0.830) 9.280 4.971 ( 1.630 4.024 0.659) 4.392 5.200 ( -0.805 13.069 -0.637) 13.110 5.234 ( 2.448 -3.726 1.007) 4.570 5.923 ( -1.328 -12.889 0.548) 12.969 6.076 ( -0.366 6.834 3.518) 7.695 6.296 ( -0.691 4.905 0.086) 4.954 6.437 ( 3.657 1.106 -4.505) 5.907 6.640 ( -2.706 -1.899 1.322) 3.561 6.748 ( -1.941 1.893 1.831) 3.272 6.981 ( -3.189 -1.595 2.705) 4.476 8.127 ( 0.853 0.975 -2.272) 2.615 8.324 ( -1.118 -5.039 -0.407) 5.177 8.508 ( 0.033 1.518 0.895) 1.763 8.600 ( -0.736 -2.260 1.792) 2.977 9.221 ( -0.429 4.674 -0.999) 4.799 9.415 ( -0.482 0.065 -0.510) 0.705 9.468 ( 0.558 -0.930 -1.831) 2.128 9.499 ( -0.485 -2.032 -1.751) 2.725 9.839 ( -1.402 -0.109 -1.076) 1.771 9.912 ( -0.568 -4.258 -1.389) 4.515 10.260 ( 0.672 6.565 -2.062) 6.914 10.425 ( -1.157 -0.136 -1.555) 1.943 11.609 ( -0.296 1.973 -1.180) 2.318 11.924 ( -1.055 -7.247 -2.832) 7.852 12.196 ( -2.339 4.361 0.049) 4.949 12.365 ( -2.598 -1.253 -1.057) 3.073 13.026 ( 0.072 2.470 -0.182) 2.478 13.118 ( -1.453 0.249 -1.015) 1.790 13.179 ( -1.786 -0.541 -0.866) 2.058 13.204 ( -0.238 1.411 -0.652) 1.573 13.268 ( -0.203 -0.541 -0.038) 0.579 13.432 ( -0.086 -2.363 -0.635) 2.449 13.590 ( -0.450 1.134 0.397) 1.283 13.663 ( -0.804 -0.749 -0.403) 1.170 13.820 ( 1.346 1.649 0.428) 2.172 13.938 ( 1.252 -1.645 0.509) 2.129 13.977 ( 1.636 0.448 1.671) 2.381 14.006 ( 0.734 -0.388 2.962) 3.076 ======================= Grid point 54 (25/102) ======================= q-point: ( 0.12 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 7.680 19.371 12.574) 24.338 1.104 ( 16.601 13.575 15.985) 26.747 1.723 ( 7.702 -0.649 13.325) 15.404 1.758 ( 7.267 1.985 12.612) 14.690 1.840 ( 6.031 -5.826 11.878) 14.539 2.022 ( 1.000 -2.972 0.626) 3.198 2.170 ( 1.408 1.635 0.198) 2.167 2.275 ( 1.425 3.270 2.884) 4.587 2.337 ( 0.247 -6.450 2.417) 6.893 2.396 ( -2.295 1.192 1.847) 3.178 2.413 ( 5.484 5.258 5.132) 9.168 2.529 ( 1.027 4.861 1.927) 5.329 2.656 ( 4.168 -1.894 3.758) 5.923 2.694 ( -5.426 2.439 3.974) 7.155 2.907 ( 5.505 -4.051 -3.764) 7.803 3.023 ( 3.551 2.909 1.472) 4.821 3.108 ( 2.574 2.802 1.692) 4.164 3.202 ( -0.705 0.016 3.342) 3.415 3.266 ( -0.796 -1.591 -1.766) 2.507 3.279 ( 0.550 -2.112 1.757) 2.802 3.396 ( 0.947 -0.284 -2.102) 2.323 3.487 ( 3.342 -6.988 2.412) 8.113 3.881 ( -2.712 2.440 2.541) 4.446 4.083 ( 1.739 -3.266 1.059) 3.848 4.314 ( 4.313 -0.255 5.888) 7.303 4.371 ( 2.778 -0.853 6.459) 7.083 4.541 ( -1.054 -1.939 -3.573) 4.199 4.718 ( -1.865 -9.635 -2.731) 10.187 5.030 ( 3.414 4.174 1.967) 5.740 5.172 ( -1.303 13.676 -1.317) 13.801 5.311 ( 3.548 -4.368 1.822) 5.915 5.913 ( 0.142 -12.529 -0.009) 12.530 6.128 ( 2.618 6.270 4.078) 7.925 6.292 ( 0.342 5.050 0.049) 5.061 6.429 ( -1.763 0.272 -2.845) 3.359 6.629 ( 1.697 1.668 -0.151) 2.384 6.748 ( 0.340 -0.580 2.057) 2.165 6.974 ( 0.945 -1.800 1.222) 2.372 8.115 ( -0.545 0.491 -2.130) 2.253 8.292 ( -1.367 -4.736 -1.241) 5.083 8.530 ( 1.390 1.261 1.090) 2.170 8.627 ( 2.103 -2.341 1.542) 3.505 9.173 ( -3.443 4.970 -1.403) 6.206 9.407 ( -0.207 -0.059 -0.676) 0.709 9.451 ( -0.629 -1.735 -4.159) 4.550 9.478 ( -0.506 -1.360 -0.457) 1.522 9.795 ( -1.731 0.533 -2.076) 2.755 9.883 ( -1.272 -3.799 -1.526) 4.287 10.223 ( -3.067 5.469 -1.605) 6.472 10.371 ( -2.659 -0.277 -3.021) 4.034 11.605 ( 0.800 1.591 -1.306) 2.209 11.866 ( -2.272 -5.856 -3.675) 7.278 12.161 ( -0.786 3.637 -0.528) 3.758 12.309 ( -1.720 -1.136 -2.225) 3.033 13.032 ( 0.635 1.981 -0.197) 2.090 13.070 ( -2.154 0.523 -1.618) 2.745 13.143 ( -1.010 -0.296 -1.422) 1.769 13.194 ( -0.309 1.480 -0.843) 1.731 13.270 ( 0.475 -0.512 -0.151) 0.715 13.434 ( 0.699 -2.488 -0.707) 2.679 13.577 ( -0.952 1.123 0.187) 1.484 13.637 ( -1.006 -0.283 -0.944) 1.408 13.866 ( 2.358 0.983 1.022) 2.752 13.966 ( 0.598 -1.866 1.119) 2.256 14.014 ( 1.052 0.827 2.221) 2.593 14.054 ( 1.721 -0.470 3.370) 3.813 ======================= Grid point 55 (26/102) ======================= q-point: ( 0.25 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 11.896 13.555 8.059) 19.753 1.468 ( 8.002 6.571 21.309) 23.692 1.738 ( 0.620 -3.331 0.003) 3.389 1.910 ( 2.435 -7.780 0.510) 8.168 2.041 ( 0.956 -1.139 4.040) 4.305 2.180 ( -1.006 2.198 0.462) 2.461 2.254 ( 4.699 1.729 3.788) 6.278 2.261 ( 5.916 1.457 6.594) 8.978 2.359 ( -1.094 -0.075 -0.455) 1.187 2.388 ( 1.331 -3.772 2.798) 4.881 2.548 ( 1.766 0.627 6.445) 6.712 2.565 ( 2.619 5.869 -0.125) 6.428 2.655 ( 1.479 4.264 1.550) 4.772 2.792 ( 6.191 1.551 6.496) 9.107 2.928 ( -0.025 -1.727 -6.725) 6.943 3.083 ( 1.234 4.000 0.681) 4.241 3.121 ( -4.933 -0.080 0.336) 4.945 3.196 ( -2.117 1.149 -4.291) 4.921 3.205 ( 5.175 0.056 5.623) 7.642 3.358 ( -0.637 -1.924 2.875) 3.518 3.391 ( 1.579 -2.418 -1.979) 3.501 3.600 ( 4.465 -5.804 4.068) 8.377 3.889 ( 1.226 2.566 3.605) 4.592 4.151 ( 3.058 -4.036 2.948) 5.860 4.359 ( -2.377 0.582 -0.322) 2.468 4.402 ( -0.905 1.787 1.787) 2.684 4.565 ( 3.110 -4.497 2.222) 5.901 4.659 ( -1.612 -9.832 -4.069) 10.762 5.122 ( 4.049 4.063 1.690) 5.980 5.142 ( -0.577 14.625 -0.795) 14.658 5.381 ( 2.184 -3.293 1.305) 4.161 5.923 ( 0.506 -12.560 0.372) 12.575 6.204 ( 1.925 5.772 2.913) 6.745 6.317 ( 1.565 3.574 1.438) 4.158 6.378 ( -0.932 1.758 -1.271) 2.361 6.673 ( 2.144 0.330 0.031) 2.170 6.779 ( 1.152 0.576 1.905) 2.299 7.023 ( 3.078 -2.090 0.956) 3.842 8.084 ( -0.974 0.100 -1.804) 2.052 8.261 ( -0.847 -4.882 -1.138) 5.084 8.570 ( 1.918 1.241 0.699) 2.389 8.689 ( 2.942 -2.938 1.062) 4.291 9.084 ( -4.231 5.509 -0.974) 7.014 9.371 ( -2.718 -2.718 -1.775) 4.234 9.425 ( 0.785 0.107 -2.565) 2.684 9.467 ( -0.244 -1.202 -0.675) 1.399 9.756 ( -0.682 1.563 -1.699) 2.407 9.849 ( -1.254 -2.606 -0.601) 2.954 10.131 ( -4.885 4.105 -0.964) 6.453 10.286 ( -3.574 -0.932 -3.388) 5.012 11.627 ( 2.124 0.939 -0.758) 2.443 11.801 ( -1.811 -3.866 -2.676) 5.038 12.163 ( 0.921 2.488 0.801) 2.771 12.274 ( -0.560 -0.825 -1.194) 1.556 13.020 ( -1.344 0.808 -1.320) 2.050 13.050 ( 0.772 1.487 0.159) 1.683 13.123 ( -0.302 -0.254 -0.553) 0.679 13.182 ( -0.279 1.387 -0.678) 1.568 13.282 ( 0.740 -0.143 -0.124) 0.764 13.449 ( 1.205 -2.650 -0.508) 2.955 13.560 ( -0.772 1.100 0.133) 1.350 13.617 ( -0.404 -0.329 -0.709) 0.880 13.913 ( 1.733 0.442 0.368) 1.826 13.964 ( -1.226 -0.807 0.769) 1.657 14.059 ( 1.811 0.593 1.798) 2.620 14.103 ( 1.105 -0.547 2.332) 2.638 ======================= Grid point 56 (27/102) ======================= q-point: ( 0.38 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 5.982 9.395 4.536) 12.026 1.675 ( -0.358 2.228 15.016) 15.185 1.759 ( 1.295 -1.620 -0.804) 2.224 1.932 ( -0.644 -5.117 1.416) 5.349 2.079 ( 0.450 1.265 1.992) 2.403 2.135 ( -1.830 3.240 -0.104) 3.722 2.215 ( -2.320 2.822 1.148) 3.829 2.334 ( -0.606 0.275 -1.107) 1.292 2.387 ( -0.238 -3.915 1.728) 4.286 2.464 ( 3.487 -2.541 1.910) 4.718 2.551 ( 0.248 1.390 -3.948) 4.193 2.682 ( 4.132 3.661 1.611) 5.751 2.718 ( 4.772 -3.709 -0.214) 6.048 2.848 ( -2.546 1.837 -2.188) 3.827 2.919 ( 1.810 2.729 1.279) 3.516 2.996 ( -6.535 0.014 0.297) 6.542 3.107 ( -0.517 2.222 -0.644) 2.370 3.134 ( -1.374 -0.307 -2.708) 3.052 3.299 ( -2.177 -1.437 2.579) 3.668 3.333 ( 0.296 -1.088 -0.190) 1.143 3.515 ( 9.746 1.824 2.917) 10.336 3.665 ( -0.099 -1.179 1.809) 2.161 3.938 ( 1.111 1.661 0.475) 2.054 4.192 ( -0.758 -1.470 0.213) 1.667 4.309 ( -1.035 -0.622 -1.031) 1.588 4.370 ( -1.586 1.865 -2.089) 3.218 4.599 ( -1.088 -8.891 -5.006) 10.261 4.628 ( 1.238 -6.504 0.933) 6.686 5.137 ( 0.614 13.295 -0.669) 13.326 5.192 ( 1.763 4.715 0.013) 5.034 5.405 ( 0.089 -2.367 -0.972) 2.560 5.933 ( -0.073 -12.424 1.341) 12.496 6.234 ( 0.080 4.757 1.176) 4.901 6.339 ( 0.595 2.994 -0.426) 3.082 6.399 ( 1.191 2.070 2.538) 3.485 6.704 ( 0.621 -2.136 0.894) 2.397 6.811 ( 0.915 3.716 1.602) 4.148 7.100 ( 3.143 -2.162 2.715) 4.682 8.059 ( -0.394 0.019 -1.441) 1.495 8.249 ( 0.095 -4.967 0.064) 4.968 8.608 ( 1.518 1.185 0.198) 1.935 8.744 ( 1.774 -3.891 0.731) 4.338 9.013 ( -2.261 6.090 0.107) 6.497 9.309 ( -2.040 -3.159 -1.214) 3.951 9.428 ( 0.759 0.156 -1.895) 2.047 9.469 ( 0.796 -1.258 0.358) 1.531 9.749 ( 0.624 2.107 -0.541) 2.263 9.829 ( -0.831 -1.318 0.776) 1.741 10.040 ( -3.410 3.303 -0.268) 4.755 10.205 ( -2.091 -1.594 -2.052) 3.335 11.675 ( 2.669 0.122 0.095) 2.673 11.764 ( -0.797 -2.289 -0.744) 2.536 12.202 ( 1.414 1.574 3.076) 3.733 12.275 ( 0.611 -0.449 1.583) 1.755 13.000 ( -0.172 1.237 0.255) 1.275 13.067 ( 0.693 1.183 0.251) 1.393 13.125 ( 0.345 -0.563 1.061) 1.250 13.176 ( -0.031 1.197 -0.259) 1.225 13.295 ( 0.588 0.387 -0.020) 0.704 13.471 ( 1.049 -2.745 -0.058) 2.940 13.550 ( -0.349 1.113 0.226) 1.188 13.612 ( 0.132 -0.519 -0.237) 0.585 13.933 ( -0.284 -0.102 -0.383) 0.487 13.941 ( -0.444 0.064 -0.550) 0.709 14.094 ( 0.699 0.301 0.546) 0.937 14.122 ( -0.150 -0.382 0.443) 0.604 ======================= Grid point 57 (28/102) ======================= q-point: (-0.50 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -8.383 2.456 2.321) 9.038 1.661 ( -5.903 7.577 6.577) 11.641 1.756 ( -1.811 -2.388 -1.304) 3.269 1.908 ( -0.548 -4.051 0.034) 4.088 2.068 ( -2.524 -1.764 -1.436) 3.398 2.131 ( -0.727 2.651 -0.438) 2.784 2.212 ( 2.051 3.895 3.817) 5.827 2.292 ( -5.684 -1.645 -3.724) 6.992 2.331 ( -0.773 0.703 -1.817) 2.096 2.449 ( -4.075 0.302 -1.212) 4.262 2.645 ( 8.602 -0.338 -0.043) 8.609 2.722 ( -0.192 -3.587 -3.736) 5.183 2.756 ( -2.922 -0.971 0.226) 3.087 2.822 ( -2.189 2.698 3.014) 4.599 2.865 ( -1.918 0.857 -4.317) 4.801 2.943 ( 1.262 -0.250 -0.133) 1.293 3.077 ( -0.049 1.736 -3.775) 4.155 3.093 ( -2.423 2.393 -1.027) 3.557 3.287 ( -0.742 0.638 1.702) 1.964 3.319 ( -0.005 -0.739 -1.323) 1.516 3.618 ( -2.361 -0.343 0.673) 2.479 3.645 ( -1.691 0.592 -1.339) 2.237 3.904 ( -3.583 2.056 -3.534) 5.436 4.187 ( -0.263 -2.301 0.537) 2.378 4.271 ( 0.033 2.610 -4.087) 4.849 4.327 ( -1.441 0.576 -3.379) 3.718 4.534 ( -2.092 -7.503 -6.171) 9.937 4.651 ( 1.840 -9.112 -0.337) 9.302 5.144 ( 0.195 10.514 -1.319) 10.598 5.189 ( -1.201 6.844 -1.045) 7.026 5.375 ( -1.422 -1.907 -3.537) 4.262 5.942 ( 0.019 -12.225 2.138) 12.411 6.234 ( -0.684 4.468 1.016) 4.633 6.343 ( 0.070 2.390 -1.398) 2.770 6.416 ( -1.342 2.623 3.226) 4.369 6.706 ( -0.642 -4.772 -0.119) 4.817 6.843 ( 0.773 6.558 3.408) 7.431 7.166 ( 0.729 -2.349 4.516) 5.143 8.051 ( 0.456 0.281 -1.217) 1.329 8.266 ( 1.045 -5.171 1.565) 5.503 8.625 ( -0.152 1.240 0.169) 1.261 8.769 ( 0.211 -4.315 1.021) 4.439 8.999 ( 0.414 6.231 0.810) 6.297 9.289 ( 0.810 -3.098 -0.441) 3.232 9.432 ( 0.666 0.448 -1.178) 1.426 9.498 ( 1.206 -1.480 1.475) 2.413 9.772 ( 1.563 1.471 0.766) 2.279 9.827 ( -0.161 -0.805 1.659) 1.851 10.009 ( 0.463 3.655 0.330) 3.699 10.197 ( 2.121 -1.818 -0.145) 2.797 11.710 ( -0.062 -0.313 0.352) 0.475 11.770 ( 1.725 -1.940 1.313) 2.908 12.247 ( 0.245 1.531 4.971) 5.208 12.320 ( 1.698 -0.431 4.667) 4.985 13.016 ( 1.024 1.431 1.903) 2.592 13.076 ( 0.023 1.552 0.013) 1.552 13.151 ( 0.912 -1.128 2.887) 3.231 13.179 ( 0.329 0.943 0.188) 1.016 13.302 ( 0.040 0.738 0.041) 0.740 13.486 ( 0.285 -2.781 0.404) 2.824 13.549 ( 0.036 1.190 0.349) 1.241 13.618 ( 0.406 -0.605 0.212) 0.759 13.908 ( -0.792 0.229 -1.382) 1.610 13.933 ( -0.311 -0.303 -1.566) 1.625 14.088 ( -1.187 0.186 -0.825) 1.457 14.103 ( -1.402 -0.194 -1.386) 1.981 ======================= Grid point 58 (29/102) ======================= q-point: (-0.38 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -17.771 1.149 4.970) 18.489 1.529 ( -12.577 12.397 5.672) 18.549 1.683 ( -3.114 -7.205 -3.797) 8.720 1.936 ( 2.111 -4.567 0.524) 5.059 1.973 ( -2.797 -3.853 -5.927) 7.602 2.035 ( -9.191 -3.491 -4.683) 10.890 2.174 ( -0.555 4.443 -1.568) 4.744 2.290 ( 1.094 3.779 2.376) 4.596 2.336 ( 0.272 0.025 -1.393) 1.419 2.366 ( -1.197 1.987 -0.719) 2.428 2.559 ( -12.138 -2.115 -2.329) 12.539 2.674 ( -4.928 2.793 -4.426) 7.189 2.698 ( -5.897 -3.302 -1.513) 6.926 2.749 ( -3.751 6.065 2.444) 7.538 2.850 ( 0.800 -0.963 -7.477) 7.581 2.987 ( -0.091 4.926 -3.539) 6.066 3.039 ( 4.173 4.438 -5.274) 8.057 3.115 ( 4.117 -2.738 1.622) 5.203 3.274 ( -1.044 1.610 -0.100) 1.922 3.300 ( -3.055 -0.148 1.332) 3.336 3.513 ( -4.543 -2.328 -0.437) 5.124 3.604 ( -1.155 -1.393 -2.194) 2.844 3.802 ( -2.788 1.733 -2.604) 4.190 4.112 ( -4.429 -5.917 -2.693) 7.866 4.213 ( -2.326 1.937 -7.163) 7.776 4.338 ( -0.347 0.972 -2.052) 2.297 4.461 ( 1.565 -4.191 -4.551) 6.381 4.708 ( 3.179 -9.902 0.762) 10.428 5.094 ( -3.147 4.139 -3.521) 6.279 5.180 ( 0.192 13.449 1.272) 13.510 5.317 ( -1.488 -1.989 -4.327) 4.990 5.960 ( 0.116 -12.569 2.382) 12.793 6.217 ( -2.053 4.625 1.367) 5.242 6.323 ( -0.474 2.470 -1.927) 3.168 6.398 ( -2.442 3.432 3.236) 5.312 6.686 ( -0.817 -5.318 -0.640) 5.418 6.875 ( -0.689 6.281 4.640) 7.839 7.177 ( -2.827 -2.370 5.051) 6.255 8.061 ( 1.282 0.740 -1.279) 1.957 8.302 ( 1.118 -5.622 2.201) 6.141 8.601 ( -2.211 1.709 0.121) 2.797 8.758 ( -2.255 -3.987 1.320) 4.767 9.040 ( 3.209 5.926 1.006) 6.813 9.333 ( 3.440 -2.945 -0.115) 4.530 9.440 ( 0.735 0.623 -0.578) 1.124 9.524 ( 0.276 -1.584 1.470) 2.179 9.813 ( 1.380 0.581 1.929) 2.442 9.846 ( 1.177 -1.448 1.414) 2.341 10.057 ( 3.860 4.835 0.270) 6.193 10.277 ( 5.084 -1.762 0.801) 5.440 11.690 ( -1.777 0.423 0.627) 1.931 11.830 ( 2.746 -3.457 1.842) 4.783 12.274 ( -1.158 2.449 5.872) 6.467 12.386 ( 1.051 -0.781 5.860) 6.004 13.056 ( 0.965 1.291 1.936) 2.519 13.072 ( -0.061 1.969 0.668) 2.080 13.188 ( 0.748 0.465 0.575) 1.052 13.194 ( 0.685 -0.995 3.554) 3.753 13.298 ( -0.455 0.697 0.087) 0.837 13.485 ( -0.701 -2.774 0.524) 2.908 13.555 ( 0.358 1.351 0.418) 1.459 13.630 ( 0.600 -0.545 0.526) 0.966 13.889 ( -0.050 -0.016 -2.041) 2.042 13.908 ( -0.870 -0.088 -1.970) 2.156 14.041 ( -2.530 0.116 -1.612) 3.003 14.056 ( -1.978 -0.186 -2.168) 2.941 ======================= Grid point 59 (30/102) ======================= q-point: (-0.25 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -18.139 3.292 14.292) 23.326 1.212 ( -22.532 9.151 4.217) 24.682 1.619 ( -0.014 -11.173 -3.975) 11.859 1.771 ( -10.183 -7.854 -4.235) 13.539 1.900 ( -11.230 0.572 -0.315) 11.249 1.987 ( 2.863 -4.333 -1.155) 5.320 2.137 ( -9.708 9.447 0.363) 13.551 2.172 ( -0.964 5.441 -1.805) 5.813 2.295 ( -3.151 3.999 -2.567) 5.702 2.397 ( -2.157 0.189 4.332) 4.843 2.409 ( 4.532 -0.990 -1.914) 5.018 2.524 ( -5.413 2.341 -3.771) 7.000 2.581 ( -3.521 -1.422 -1.660) 4.144 2.651 ( -6.231 9.983 1.573) 11.873 2.776 ( -0.171 1.319 -8.697) 8.798 2.968 ( 0.253 4.228 -5.875) 7.243 3.080 ( 1.456 -1.030 -1.482) 2.319 3.157 ( -1.685 -3.640 -0.857) 4.101 3.253 ( -0.453 1.628 -0.911) 1.920 3.283 ( 0.589 0.837 1.799) 2.070 3.474 ( -0.352 -2.604 0.215) 2.636 3.563 ( -1.918 -3.664 -0.551) 4.173 3.803 ( 2.974 0.753 2.767) 4.132 4.054 ( 0.455 -6.416 -0.120) 6.433 4.127 ( -1.464 0.025 -7.811) 7.947 4.237 ( -4.153 -2.801 -5.583) 7.501 4.529 ( 4.055 -0.416 -0.473) 4.103 4.764 ( 1.639 -8.679 0.906) 8.879 5.008 ( -2.936 4.357 -2.470) 5.805 5.199 ( 0.829 12.837 1.027) 12.904 5.265 ( -1.195 -2.297 -3.472) 4.331 5.969 ( -0.871 -13.197 2.057) 13.384 6.164 ( -4.102 5.481 1.956) 7.120 6.319 ( 1.295 2.031 -1.928) 3.085 6.367 ( -2.057 4.894 1.961) 5.659 6.672 ( -0.338 -5.777 -0.065) 5.787 6.865 ( -3.365 5.364 4.413) 7.718 7.127 ( -5.047 -2.176 4.682) 7.220 8.084 ( 1.910 1.136 -1.598) 2.737 8.331 ( 0.340 -5.824 1.688) 6.073 8.553 ( -2.461 1.970 0.239) 3.161 8.702 ( -4.037 -3.201 1.495) 5.365 9.126 ( 4.369 5.299 0.585) 6.893 9.399 ( 2.668 -2.148 -0.027) 3.426 9.452 ( 0.862 0.186 -0.689) 1.119 9.528 ( -0.398 -1.699 0.234) 1.760 9.845 ( 0.573 0.017 1.963) 2.045 9.886 ( 1.861 -2.637 0.628) 3.288 10.147 ( 4.855 5.995 -0.591) 7.737 10.378 ( 4.109 -1.323 0.558) 4.353 11.657 ( -1.753 1.278 0.324) 2.194 11.894 ( 2.579 -5.444 0.979) 6.103 12.274 ( -2.492 3.645 4.938) 6.624 12.425 ( -0.788 -1.038 4.657) 4.836 13.048 ( -0.908 2.243 -0.193) 2.428 13.108 ( 1.170 0.959 2.278) 2.734 13.201 ( 0.528 0.943 -0.002) 1.081 13.225 ( -0.258 -1.280 3.260) 3.512 13.288 ( -0.618 0.236 0.147) 0.678 13.467 ( -1.242 -2.601 0.161) 2.887 13.569 ( 0.658 1.416 0.574) 1.664 13.648 ( 0.797 -0.509 0.675) 1.162 13.861 ( -1.645 0.272 -1.794) 2.449 13.896 ( 1.027 -0.215 -1.866) 2.141 13.982 ( -2.069 0.088 -1.308) 2.449 14.007 ( -1.489 -0.380 -1.297) 2.011 ======================= Grid point 60 (31/102) ======================= q-point: (-0.12 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( -18.716 6.380 10.858) 22.559 0.813 ( -15.414 10.775 19.932) 27.404 1.484 ( -24.427 26.768 17.830) 40.387 1.597 ( -3.002 -12.456 4.974) 13.744 1.687 ( 3.123 -12.053 -4.088) 13.105 2.015 ( 0.531 -4.456 -0.526) 4.519 2.117 ( 2.379 0.127 -2.555) 3.493 2.161 ( 1.067 5.847 0.853) 6.004 2.267 ( 1.258 1.863 -0.349) 2.275 2.328 ( -4.732 3.352 1.139) 5.910 2.464 ( -0.980 0.786 -1.060) 1.644 2.506 ( 4.083 -3.562 1.997) 5.774 2.533 ( -2.183 4.836 2.541) 5.883 2.591 ( 1.473 2.527 -0.739) 3.016 2.748 ( 2.313 2.034 -5.480) 6.286 2.961 ( 2.524 4.523 -2.505) 5.753 3.047 ( -3.658 -1.518 -0.668) 4.016 3.122 ( -1.381 -4.239 3.279) 5.534 3.247 ( 0.517 1.016 -1.125) 1.602 3.286 ( -0.127 1.811 -0.634) 1.923 3.473 ( -0.316 -0.581 -1.045) 1.236 3.511 ( -3.550 -6.039 1.267) 7.119 3.939 ( 6.959 0.576 3.441) 7.785 4.038 ( -1.823 -2.352 -4.492) 5.388 4.120 ( 2.963 -3.790 1.171) 4.951 4.154 ( -0.831 -2.652 -1.122) 2.998 4.584 ( 2.111 -0.618 -1.623) 2.734 4.781 ( -0.339 -8.235 0.303) 8.248 4.960 ( -0.626 4.340 -0.924) 4.481 5.215 ( 0.358 8.742 -0.258) 8.753 5.224 ( -1.268 0.514 -1.529) 2.052 5.952 ( -1.888 -13.330 1.395) 13.535 6.099 ( -3.559 6.518 2.596) 7.867 6.315 ( -1.428 3.320 0.816) 3.705 6.379 ( 3.756 3.792 -3.150) 6.197 6.667 ( -0.660 -6.025 0.769) 6.110 6.805 ( -4.793 4.935 3.277) 7.620 7.051 ( -5.258 -2.277 3.708) 6.825 8.112 ( 1.949 1.214 -2.004) 3.048 8.338 ( -0.391 -5.473 0.667) 5.528 8.516 ( -1.354 1.820 0.582) 2.342 8.633 ( -3.520 -2.602 1.691) 4.693 9.201 ( 2.733 4.805 -0.221) 5.532 9.427 ( 0.103 -0.911 -0.009) 0.917 9.464 ( 0.840 -0.548 -1.205) 1.568 9.515 ( -0.319 -1.934 -1.375) 2.394 9.858 ( -0.279 -0.228 0.605) 0.704 9.916 ( 0.848 -3.749 -0.363) 3.861 10.227 ( 3.662 6.683 -1.622) 7.791 10.432 ( 1.177 -0.547 -0.313) 1.335 11.629 ( -1.061 1.874 -0.448) 2.200 11.934 ( 1.191 -6.955 -0.855) 7.108 12.242 ( -2.954 4.441 2.472) 5.879 12.414 ( -2.342 -1.180 1.790) 3.175 13.032 ( -0.551 2.537 -0.185) 2.603 13.132 ( 0.139 0.451 0.726) 0.866 13.206 ( -0.002 0.906 -0.398) 0.989 13.220 ( -1.633 -0.646 1.115) 2.080 13.277 ( -0.582 -0.425 0.116) 0.730 13.445 ( -0.831 -2.397 -0.321) 2.557 13.586 ( 0.489 1.266 0.683) 1.520 13.666 ( 0.407 -0.837 0.501) 1.057 13.820 ( -1.089 1.427 -1.034) 2.072 13.913 ( 1.400 -1.013 -0.687) 1.859 13.953 ( -0.195 0.377 -0.051) 0.427 13.988 ( -0.284 -0.508 0.928) 1.096 ======================= Grid point 61 (32/102) ======================= q-point: ( 0.00 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 8.941 20.646 10.480) 24.820 1.131 ( 5.863 19.182 11.523) 23.133 1.396 ( 3.143 -15.007 15.497) 21.800 1.506 ( 8.215 -17.496 -1.105) 19.360 1.775 ( -3.965 18.032 15.600) 24.171 1.948 ( 0.560 -4.176 1.042) 4.340 2.140 ( -0.850 2.269 1.763) 2.996 2.232 ( -3.756 -4.389 4.869) 7.555 2.298 ( 1.139 4.824 1.651) 5.224 2.391 ( 0.270 -3.737 -0.141) 3.750 2.462 ( 2.499 6.732 4.596) 8.525 2.554 ( 0.069 -1.307 2.870) 3.154 2.570 ( 2.656 1.685 2.718) 4.157 2.673 ( 3.894 -5.592 2.337) 7.204 2.773 ( -0.716 6.353 3.396) 7.239 2.937 ( 0.438 -7.370 2.147) 7.689 3.100 ( -0.290 2.998 5.254) 6.057 3.126 ( 3.019 3.218 2.335) 4.992 3.248 ( 1.097 -1.693 -0.829) 2.181 3.292 ( -0.153 -6.827 -0.778) 6.873 3.370 ( -0.576 3.092 -3.515) 4.717 3.422 ( -1.134 -1.684 -4.051) 4.531 3.961 ( -0.705 2.045 -2.598) 3.380 4.015 ( -0.043 -3.596 -2.451) 4.352 4.167 ( 5.928 0.849 6.558) 8.881 4.199 ( 5.307 -2.561 6.737) 8.950 4.584 ( -0.987 1.020 -2.419) 2.805 4.634 ( -1.752 -4.702 -1.388) 5.207 5.057 ( 1.427 5.090 1.170) 5.414 5.150 ( 1.632 -5.019 1.373) 5.454 5.443 ( -0.912 13.299 -0.194) 13.332 5.684 ( -1.034 -13.243 0.243) 13.285 6.229 ( -0.135 8.645 2.283) 8.943 6.329 ( -0.014 -1.454 0.097) 1.458 6.457 ( 1.471 1.856 -2.456) 3.411 6.539 ( 0.356 -6.902 0.527) 6.931 6.841 ( -3.326 6.201 2.074) 7.336 6.935 ( -3.041 -3.792 2.386) 5.414 8.160 ( 0.253 2.786 -1.861) 3.360 8.230 ( -0.496 -4.830 -1.133) 4.986 8.532 ( -0.184 1.236 1.018) 1.612 8.559 ( -0.432 -1.905 1.343) 2.371 9.320 ( -0.262 5.525 -1.179) 5.655 9.401 ( -0.060 -2.671 -0.812) 2.792 9.449 ( -0.063 -0.387 -1.998) 2.036 9.462 ( -0.341 -1.504 -0.985) 1.830 9.837 ( -1.248 0.125 -0.565) 1.375 9.854 ( -1.000 -1.955 -0.490) 2.251 10.365 ( 0.272 4.395 -2.844) 5.242 10.415 ( -0.554 -1.308 -2.432) 2.816 11.672 ( -0.428 4.982 -1.590) 5.247 11.787 ( -0.699 -7.340 -2.191) 7.692 12.271 ( -2.548 3.737 -0.343) 4.537 12.329 ( -2.638 -2.598 -0.712) 3.770 13.079 ( -0.395 2.961 -0.134) 2.991 13.116 ( -1.393 -0.886 -0.347) 1.687 13.174 ( -1.070 0.370 -1.152) 1.615 13.197 ( -0.408 -1.787 -0.506) 1.902 13.299 ( -0.177 3.720 -0.542) 3.763 13.373 ( -0.148 -3.949 -0.620) 4.000 13.615 ( -0.452 1.513 0.282) 1.604 13.642 ( -0.524 -1.395 -0.001) 1.490 13.858 ( 1.112 2.403 0.198) 2.655 13.902 ( 1.119 -2.293 0.216) 2.561 13.987 ( 1.239 0.543 2.193) 2.576 13.997 ( 0.968 -0.552 2.648) 2.872 ======================= Grid point 62 (33/102) ======================= q-point: ( 0.12 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 5.342 16.842 11.165) 20.901 1.389 ( 10.143 15.482 9.337) 20.730 1.551 ( 2.866 -12.646 8.542) 15.528 1.644 ( 5.593 -11.220 3.219) 12.944 1.967 ( 8.491 7.307 16.605) 20.030 1.995 ( 2.982 0.248 2.341) 3.799 2.179 ( 3.733 -0.777 0.709) 3.878 2.208 ( -1.618 -4.326 7.166) 8.526 2.342 ( 0.878 3.426 1.369) 3.792 2.391 ( -0.578 -1.643 -0.097) 1.744 2.524 ( 1.389 5.288 5.758) 7.940 2.586 ( 0.572 -0.799 3.041) 3.196 2.664 ( 5.193 4.364 2.958) 7.400 2.765 ( 0.732 -1.719 0.593) 1.960 2.845 ( 6.250 5.369 5.969) 10.174 3.036 ( 7.035 -7.984 4.742) 11.650 3.140 ( 0.270 2.875 6.356) 6.981 3.177 ( 0.062 3.216 2.343) 3.979 3.242 ( -1.224 -2.185 -1.024) 2.706 3.293 ( 0.810 -2.705 -4.376) 5.208 3.335 ( 0.874 -2.574 -2.378) 3.611 3.377 ( -0.916 -2.639 -2.753) 3.922 3.938 ( -1.195 3.711 2.516) 4.641 4.012 ( 0.409 -4.232 1.807) 4.620 4.314 ( 4.194 0.641 6.535) 7.791 4.342 ( 4.427 -2.076 6.799) 8.374 4.531 ( -2.137 1.190 -3.782) 4.504 4.586 ( -1.680 -4.944 -3.331) 6.194 5.120 ( 3.552 5.361 2.311) 6.834 5.218 ( 3.573 -5.358 2.423) 6.881 5.424 ( -0.646 13.774 -0.520) 13.799 5.673 ( -0.081 -13.550 -0.068) 13.551 6.264 ( 1.693 7.063 2.612) 7.719 6.333 ( 0.313 -0.448 0.056) 0.550 6.453 ( -0.323 3.096 -1.590) 3.495 6.558 ( 1.057 -7.237 1.016) 7.384 6.822 ( 0.517 6.335 0.891) 6.418 6.921 ( 0.568 -4.195 1.074) 4.367 8.137 ( -1.051 2.248 -2.038) 3.211 8.201 ( -1.320 -4.627 -1.703) 5.104 8.553 ( 1.529 1.402 1.054) 2.327 8.584 ( 1.879 -2.086 1.199) 3.052 9.277 ( -2.956 5.867 -1.687) 6.783 9.371 ( -2.273 -4.189 -1.800) 5.094 9.436 ( 0.283 0.577 -1.974) 2.076 9.454 ( 0.073 -1.236 -1.074) 1.639 9.804 ( -1.252 0.638 -1.155) 1.819 9.827 ( -1.068 -2.083 -0.829) 2.483 10.313 ( -3.404 3.881 -3.017) 5.980 10.359 ( -3.036 -1.317 -3.415) 4.755 11.656 ( 0.124 4.090 -1.793) 4.468 11.751 ( -0.999 -6.164 -2.622) 6.773 12.226 ( -1.252 3.304 -1.250) 3.748 12.277 ( -1.540 -2.301 -1.819) 3.313 13.067 ( -0.563 1.448 -0.879) 1.785 13.079 ( -1.555 0.163 -0.812) 1.761 13.149 ( -0.494 1.426 -1.271) 1.973 13.188 ( -0.166 -2.124 -0.557) 2.202 13.298 ( 0.485 3.580 -0.623) 3.666 13.372 ( 0.534 -4.065 -0.705) 4.160 13.601 ( -0.882 1.445 -0.109) 1.697 13.625 ( -0.897 -1.066 -0.559) 1.501 13.892 ( 1.727 1.867 0.851) 2.682 13.930 ( 1.076 -2.114 0.863) 2.524 14.029 ( 1.296 0.794 2.791) 3.178 14.043 ( 1.538 -0.731 3.161) 3.591 ======================= Grid point 63 (34/102) ======================= q-point: ( 0.25 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 8.727 13.164 6.828) 17.206 1.604 ( 5.057 7.501 8.679) 12.537 1.654 ( 4.044 -6.250 4.508) 8.703 1.752 ( 3.560 -9.004 0.429) 9.692 2.059 ( 1.295 4.204 8.816) 9.852 2.178 ( 1.415 -6.281 10.653) 12.447 2.243 ( 3.505 1.755 -1.748) 4.292 2.285 ( 2.920 -2.277 2.874) 4.688 2.338 ( -0.561 1.841 0.399) 1.965 2.363 ( -1.608 -0.395 0.065) 1.657 2.570 ( -0.572 2.521 1.952) 3.239 2.615 ( 1.514 -1.415 0.842) 2.237 2.752 ( 0.940 5.437 1.916) 5.841 2.831 ( 4.376 -2.177 2.107) 5.322 2.965 ( 1.584 8.458 2.945) 9.095 3.085 ( -4.548 -3.578 0.710) 5.830 3.175 ( -0.898 5.643 2.875) 6.397 3.221 ( 1.942 1.381 2.753) 3.641 3.236 ( 0.044 2.706 -4.935) 5.629 3.304 ( 1.291 -3.927 0.673) 4.189 3.347 ( 5.693 -1.048 -0.898) 5.857 3.442 ( 8.910 -10.238 2.944) 13.888 3.955 ( 0.340 4.591 4.481) 6.425 4.053 ( 1.275 -5.980 4.537) 7.614 4.395 ( 0.405 3.369 0.093) 3.394 4.442 ( 0.349 2.150 2.038) 2.984 4.479 ( 1.171 -4.028 -0.040) 4.195 4.520 ( -2.274 -5.501 -3.548) 6.930 5.209 ( 3.466 5.143 1.761) 6.447 5.299 ( 2.680 -4.426 1.743) 5.460 5.415 ( 0.106 14.326 0.003) 14.326 5.677 ( 0.301 -14.140 0.429) 14.150 6.307 ( 0.727 4.239 1.480) 4.549 6.345 ( 0.829 -0.321 0.555) 1.048 6.446 ( 0.528 6.293 0.069) 6.315 6.587 ( 0.886 -7.852 1.353) 8.016 6.863 ( 2.619 6.414 1.166) 7.025 6.965 ( 2.834 -4.401 1.260) 5.384 8.101 ( -1.120 2.047 -1.787) 2.939 8.165 ( -0.976 -4.878 -1.575) 5.218 8.597 ( 2.091 1.774 0.629) 2.813 8.637 ( 2.435 -2.592 0.717) 3.628 9.195 ( -3.772 6.221 -1.349) 7.399 9.299 ( -3.376 -5.000 -1.852) 6.311 9.432 ( 0.495 0.608 -1.638) 1.816 9.447 ( 0.021 -0.959 -1.230) 1.560 9.782 ( -0.295 1.268 -0.504) 1.396 9.808 ( -0.467 -1.756 -0.048) 1.817 10.206 ( -5.012 3.713 -2.618) 6.765 10.259 ( -4.391 -2.108 -3.429) 5.956 11.659 ( 1.190 2.645 -1.113) 3.107 11.723 ( -0.257 -4.241 -1.778) 4.606 12.212 ( 0.255 2.533 -0.031) 2.546 12.251 ( -0.226 -1.730 -0.728) 1.891 13.040 ( -0.949 1.351 -0.801) 1.835 13.062 ( -0.282 -0.621 0.011) 0.682 13.139 ( 0.046 2.214 -0.703) 2.324 13.182 ( -0.189 -1.765 -0.482) 1.839 13.310 ( 1.051 3.439 -0.381) 3.616 13.385 ( 1.090 -4.189 -0.472) 4.355 13.584 ( -0.707 1.372 -0.156) 1.551 13.606 ( -0.592 -0.969 -0.501) 1.241 13.926 ( 1.018 0.966 0.432) 1.469 13.946 ( -0.027 -1.140 0.541) 1.262 14.073 ( 1.413 0.893 2.059) 2.652 14.090 ( 1.207 -0.883 2.237) 2.691 ======================= Grid point 64 (35/102) ======================= q-point: ( 0.38 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 1.710 9.100 0.144) 9.260 1.701 ( 0.727 0.097 3.325) 3.405 1.737 ( 2.469 0.197 2.406) 3.453 1.821 ( 2.669 -6.956 2.403) 7.829 2.125 ( -1.204 4.377 4.868) 6.656 2.194 ( -2.417 0.113 2.997) 3.852 2.262 ( -1.516 2.210 0.299) 2.697 2.301 ( -1.146 -2.711 4.609) 5.468 2.351 ( 2.127 1.069 -1.584) 2.859 2.408 ( 4.345 -4.340 -0.457) 6.159 2.569 ( 0.788 2.206 -0.875) 2.501 2.636 ( 1.120 -4.627 -1.596) 5.021 2.766 ( -0.820 5.611 3.075) 6.451 2.853 ( -1.179 -2.993 0.023) 3.217 3.002 ( -4.809 1.693 2.724) 5.781 3.017 ( 1.747 3.478 3.886) 5.500 3.084 ( -6.202 1.302 -3.207) 7.102 3.157 ( -0.673 -1.621 -6.447) 6.681 3.291 ( 0.873 0.620 -0.294) 1.110 3.308 ( 0.720 -1.244 0.705) 1.600 3.558 ( 9.376 3.103 1.600) 10.005 3.623 ( 5.203 -3.413 1.631) 6.433 3.993 ( 0.567 4.705 2.872) 5.542 4.107 ( 0.796 -6.983 4.068) 8.120 4.339 ( -1.828 3.484 -4.039) 5.639 4.395 ( -3.244 -0.689 -4.092) 5.267 4.477 ( -0.184 -1.847 -2.818) 3.375 4.526 ( 0.705 -5.112 -0.302) 5.169 5.259 ( 1.059 4.558 -0.837) 4.754 5.333 ( 0.274 -2.514 -0.478) 2.574 5.428 ( 0.625 13.233 0.636) 13.263 5.687 ( 0.109 -14.199 1.205) 14.250 6.319 ( 0.094 3.994 0.827) 4.080 6.365 ( 0.577 -0.854 0.735) 1.266 6.466 ( 0.650 6.256 0.863) 6.348 6.602 ( -0.128 -7.626 0.530) 7.645 6.927 ( 2.227 7.157 2.858) 8.022 7.038 ( 2.729 -4.759 3.110) 6.306 8.077 ( -0.225 2.306 -1.171) 2.596 8.148 ( 0.081 -5.289 -0.648) 5.330 8.636 ( 1.457 1.900 0.182) 2.401 8.680 ( 1.480 -2.976 0.339) 3.341 9.128 ( -2.098 6.221 -0.296) 6.571 9.232 ( -2.095 -5.067 -0.839) 5.547 9.434 ( 0.690 0.495 -1.225) 1.490 9.447 ( 0.753 -0.989 -0.334) 1.287 9.784 ( 0.275 1.545 0.508) 1.650 9.806 ( -0.140 -1.112 1.066) 1.546 10.106 ( -3.084 3.649 -1.491) 5.005 10.165 ( -2.571 -2.781 -2.063) 4.313 11.685 ( 1.663 1.138 -0.096) 2.017 11.718 ( 0.381 -2.413 -0.389) 2.474 12.234 ( 1.071 1.744 2.478) 3.214 12.261 ( 0.827 -1.129 1.937) 2.390 13.031 ( 0.044 2.034 0.847) 2.203 13.066 ( 0.330 -1.512 1.386) 2.077 13.138 ( 0.214 2.115 -0.345) 2.154 13.176 ( -0.063 -1.418 -0.328) 1.457 13.330 ( 0.942 3.507 -0.020) 3.631 13.405 ( 1.010 -4.232 -0.034) 4.351 13.574 ( -0.253 1.400 0.078) 1.425 13.597 ( -0.072 -1.103 -0.104) 1.110 13.934 ( -0.284 0.203 -0.458) 0.576 13.939 ( -0.356 -0.223 -0.565) 0.704 14.102 ( 0.455 0.553 0.527) 0.889 14.113 ( 0.123 -0.602 0.486) 0.783 ======================= Grid point 65 (36/102) ======================= q-point: (-0.50 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -8.564 6.459 -2.369) 10.985 1.661 ( -4.056 -5.589 -3.591) 7.784 1.792 ( -0.378 3.611 2.986) 4.701 1.841 ( -0.069 -2.851 0.035) 2.852 2.067 ( -5.553 2.651 -0.962) 6.229 2.135 ( -4.675 -3.030 -1.373) 5.738 2.269 ( -1.331 1.296 3.287) 3.776 2.281 ( -0.558 0.451 1.486) 1.651 2.368 ( 0.925 4.444 -2.555) 5.209 2.448 ( -1.515 -2.050 0.512) 2.600 2.604 ( 3.437 -1.793 -2.512) 4.619 2.633 ( -1.336 -4.045 -1.922) 4.673 2.792 ( 0.874 4.381 5.786) 7.310 2.864 ( -0.539 -1.969 0.652) 2.143 2.914 ( -1.015 1.864 0.790) 2.265 2.929 ( -5.799 0.155 -4.728) 7.484 3.077 ( 2.132 3.302 1.405) 4.174 3.146 ( 2.090 -0.920 -4.183) 4.765 3.296 ( -0.429 -0.043 -1.675) 1.729 3.301 ( -0.123 -0.453 -1.490) 1.562 3.629 ( -2.213 1.503 -1.400) 3.019 3.650 ( -1.928 -0.336 -1.745) 2.622 3.967 ( -4.712 5.316 -1.022) 7.177 4.095 ( -4.466 -7.536 0.408) 8.769 4.330 ( 1.405 2.436 -2.466) 3.740 4.343 ( 2.374 1.143 -2.562) 3.675 4.428 ( -1.759 -1.134 -6.021) 6.374 4.507 ( -0.078 -7.103 -3.132) 7.763 5.240 ( -1.389 4.198 -3.233) 5.477 5.309 ( -1.377 -2.750 -2.920) 4.241 5.440 ( 0.098 13.692 1.110) 13.738 5.698 ( 0.056 -14.106 1.866) 14.229 6.323 ( -0.385 4.548 0.997) 4.672 6.373 ( -0.315 -0.391 0.509) 0.715 6.470 ( -0.794 4.775 0.687) 4.889 6.590 ( -0.957 -7.380 -0.424) 7.454 6.981 ( 0.603 7.636 4.612) 8.941 7.099 ( 0.502 -5.096 4.822) 7.034 8.077 ( 0.736 2.899 -0.539) 3.039 8.159 ( 0.980 -5.820 0.479) 5.921 8.654 ( 0.080 1.969 0.306) 1.994 8.700 ( 0.218 -3.138 0.587) 3.200 9.113 ( 0.532 6.087 0.407) 6.124 9.214 ( 0.727 -4.933 -0.077) 4.987 9.445 ( 0.834 1.032 -0.281) 1.356 9.469 ( 1.070 -1.565 0.704) 2.022 9.797 ( 0.535 1.148 1.260) 1.787 9.813 ( -0.074 -0.713 1.687) 1.833 10.083 ( 1.433 4.126 -0.114) 4.369 10.150 ( 1.983 -3.190 -0.229) 3.763 11.710 ( 0.350 0.529 0.556) 0.843 11.733 ( 0.996 -1.878 0.918) 2.315 12.279 ( 0.834 1.775 4.834) 5.217 12.306 ( 1.348 -1.156 4.716) 5.039 13.052 ( 0.867 2.317 2.477) 3.501 13.089 ( 0.492 -1.128 2.413) 2.708 13.144 ( 0.492 1.310 0.344) 1.441 13.176 ( 0.237 -1.374 -0.146) 1.402 13.343 ( 0.171 3.700 0.276) 3.714 13.420 ( 0.248 -4.285 0.384) 4.309 13.575 ( 0.179 1.529 0.344) 1.577 13.601 ( 0.328 -1.247 0.296) 1.323 13.915 ( -0.658 0.505 -1.511) 1.724 13.925 ( -0.457 -0.544 -1.580) 1.733 14.093 ( -1.235 0.287 -0.989) 1.608 14.098 ( -1.325 -0.294 -1.203) 1.814 ======================= Grid point 66 (37/102) ======================= q-point: (-0.38 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -12.874 9.597 -1.824) 16.160 1.506 ( -7.390 -11.372 -5.342) 14.576 1.733 ( -10.264 9.497 1.777) 14.096 1.861 ( -0.892 -4.455 0.279) 4.552 1.919 ( -4.335 -1.256 -4.286) 6.224 1.950 ( -9.686 -4.521 -3.549) 11.263 2.251 ( 0.186 3.783 -0.954) 3.906 2.305 ( 1.232 -1.944 0.276) 2.317 2.373 ( -1.859 3.103 -0.707) 3.686 2.400 ( -0.936 0.695 0.453) 1.251 2.534 ( -6.581 1.136 -0.097) 6.679 2.607 ( -2.901 -5.441 -0.939) 6.237 2.762 ( -3.963 4.085 -5.100) 7.642 2.798 ( -0.945 -0.512 -5.274) 5.382 2.899 ( 2.989 5.919 1.973) 6.919 3.015 ( 2.978 -5.564 3.278) 7.111 3.103 ( -1.643 5.193 -1.251) 5.588 3.130 ( 1.170 3.362 -7.030) 7.880 3.281 ( -0.116 -0.589 -1.884) 1.977 3.296 ( 2.224 -1.251 -1.593) 3.008 3.502 ( -8.236 2.223 0.278) 8.535 3.564 ( -5.447 -3.137 -0.024) 6.285 3.850 ( -3.850 4.052 -2.539) 6.140 3.969 ( -5.547 -8.610 -2.245) 10.485 4.259 ( -3.400 3.101 -7.811) 9.066 4.320 ( -4.388 -3.193 -7.824) 9.522 4.448 ( 5.923 3.527 1.029) 6.970 4.552 ( 4.431 -7.333 0.457) 8.580 5.174 ( -2.675 4.543 -3.707) 6.445 5.251 ( -1.982 -3.691 -3.831) 5.677 5.450 ( -0.053 14.413 1.702) 14.514 5.712 ( -0.104 -14.269 2.176) 14.434 6.314 ( -1.265 5.009 1.083) 5.278 6.361 ( -0.967 0.376 0.362) 1.099 6.450 ( -1.420 3.919 0.497) 4.198 6.564 ( -1.186 -7.528 -0.636) 7.648 7.003 ( -1.790 7.068 5.294) 9.010 7.113 ( -2.554 -4.760 5.356) 7.607 8.096 ( 1.398 3.450 -0.330) 3.738 8.187 ( 1.241 -6.268 0.957) 6.461 8.638 ( -1.947 2.361 0.396) 3.086 8.690 ( -1.868 -3.364 0.784) 3.927 9.155 ( 3.245 6.270 0.646) 7.090 9.259 ( 3.507 -5.031 0.199) 6.136 9.459 ( 0.514 1.427 0.173) 1.527 9.490 ( 0.391 -1.923 0.911) 2.163 9.821 ( 0.735 0.302 1.799) 1.967 9.828 ( 0.415 -0.577 1.824) 1.958 10.151 ( 4.882 5.002 0.238) 6.994 10.229 ( 5.265 -3.474 0.487) 6.327 11.710 ( -0.661 1.891 0.844) 2.174 11.761 ( 0.976 -3.626 1.304) 3.975 12.323 ( -0.148 2.624 5.912) 6.470 12.363 ( 0.591 -1.754 5.896) 6.179 13.089 ( 0.780 2.005 2.710) 3.460 13.106 ( -0.084 0.991 1.585) 1.871 13.168 ( 0.987 -0.641 2.150) 2.451 13.184 ( 0.553 -1.371 0.206) 1.493 13.340 ( -0.630 3.823 0.404) 3.895 13.418 ( -0.662 -4.332 0.524) 4.414 13.584 ( 0.508 1.718 0.509) 1.863 13.613 ( 0.617 -1.323 0.553) 1.561 13.893 ( -0.344 0.451 -2.090) 2.166 13.903 ( -0.479 -0.494 -2.066) 2.177 14.045 ( -2.451 0.291 -1.782) 3.045 14.051 ( -2.200 -0.329 -1.976) 2.975 ======================= Grid point 67 (38/102) ======================= q-point: (-0.25 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -10.009 14.566 1.977) 17.784 1.346 ( -7.857 -9.522 -3.594) 12.857 1.402 ( -16.055 3.465 -2.130) 16.562 1.584 ( -15.845 -11.097 -3.168) 19.602 1.909 ( -0.020 0.359 0.083) 0.369 1.928 ( 2.062 -2.002 -0.569) 2.930 2.252 ( -0.372 4.740 -1.336) 4.939 2.295 ( -4.321 5.209 1.152) 6.865 2.320 ( -1.852 -2.109 0.463) 2.844 2.365 ( -1.351 -2.809 0.063) 3.118 2.448 ( -1.822 4.532 -0.112) 4.885 2.528 ( -3.040 -3.805 -1.612) 5.130 2.650 ( -4.728 9.377 -2.847) 10.881 2.769 ( -0.309 -2.657 -3.563) 4.455 2.867 ( -6.316 11.579 0.133) 13.191 3.035 ( 0.808 -1.279 -2.922) 3.290 3.059 ( -3.802 -3.570 -2.660) 5.855 3.068 ( -0.132 -0.082 -1.855) 1.861 3.302 ( -2.552 4.393 -1.745) 5.371 3.324 ( 3.074 3.549 0.668) 4.742 3.411 ( 0.413 -4.036 0.515) 4.089 3.447 ( -6.208 -8.411 1.924) 10.629 3.832 ( 2.997 2.726 0.739) 4.118 3.918 ( 2.035 -6.916 -0.679) 7.241 4.139 ( -3.060 1.489 -7.815) 8.524 4.181 ( -4.013 -2.975 -6.972) 8.577 4.553 ( 3.603 3.022 0.967) 4.801 4.634 ( 2.735 -5.800 1.017) 6.493 5.099 ( -2.551 5.179 -2.515) 6.297 5.188 ( -1.991 -4.518 -2.841) 5.697 5.459 ( -0.159 14.195 1.531) 14.278 5.718 ( -0.782 -14.160 1.891) 14.307 6.284 ( -2.516 6.423 1.275) 7.015 6.346 ( -0.789 -0.072 0.477) 0.925 6.430 ( -0.319 3.559 -0.427) 3.598 6.541 ( -0.692 -7.875 -0.385) 7.914 6.977 ( -4.188 6.192 4.943) 8.962 7.072 ( -4.767 -4.064 4.953) 7.985 8.125 ( 1.738 3.612 -0.667) 4.064 8.216 ( 1.050 -6.155 0.563) 6.270 8.591 ( -2.756 2.337 0.502) 3.648 8.641 ( -3.294 -3.161 0.902) 4.653 9.235 ( 4.056 6.162 0.283) 7.382 9.336 ( 3.679 -4.649 -0.067) 5.929 9.465 ( 0.034 1.189 -0.160) 1.200 9.493 ( -0.432 -1.884 0.144) 1.938 9.844 ( 0.329 -0.006 1.847) 1.876 9.852 ( 0.724 -1.067 1.422) 1.920 10.257 ( 5.420 5.555 -0.650) 7.788 10.338 ( 4.993 -3.276 -0.125) 5.973 11.700 ( -0.697 3.569 0.434) 3.662 11.786 ( 0.882 -5.757 0.696) 5.865 12.342 ( -1.668 3.499 4.911) 6.257 12.395 ( -1.122 -2.304 4.813) 5.453 13.097 ( -0.548 2.708 0.477) 2.804 13.124 ( 0.250 0.223 2.058) 2.085 13.195 ( 0.453 -0.908 0.817) 1.303 13.202 ( 0.348 -1.240 1.900) 2.295 13.326 ( -0.920 3.787 0.273) 3.907 13.403 ( -1.053 -4.201 0.255) 4.338 13.600 ( 0.614 1.834 0.609) 2.028 13.630 ( 0.674 -1.418 0.625) 1.690 13.871 ( -0.608 0.831 -1.783) 2.059 13.887 ( 0.264 -0.744 -1.823) 1.987 13.987 ( -1.962 0.469 -1.305) 2.403 13.998 ( -1.736 -0.618 -1.300) 2.256 ======================= Grid point 68 (39/102) ======================= q-point: (-0.12 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -1.821 21.495 -0.785) 21.586 1.062 ( -10.253 15.825 13.382) 23.122 1.326 ( -2.984 -17.159 3.220) 17.711 1.381 ( 1.346 -19.051 0.262) 19.100 1.857 ( -7.472 10.099 5.638) 13.769 1.948 ( 0.121 -3.138 -0.214) 3.148 2.180 ( -5.115 7.289 4.174) 9.834 2.252 ( -1.302 2.356 0.717) 2.786 2.301 ( -0.616 2.144 2.368) 3.253 2.385 ( 0.885 -4.637 -0.603) 4.759 2.416 ( -1.081 3.885 1.125) 4.187 2.490 ( 1.537 -2.314 0.079) 2.779 2.566 ( -2.127 5.277 0.030) 5.690 2.697 ( -4.487 -3.401 -1.055) 5.728 2.786 ( -2.540 8.647 2.231) 9.284 2.961 ( -3.380 -7.891 0.205) 8.587 3.054 ( 2.794 3.912 -0.986) 4.908 3.083 ( 0.072 0.689 2.502) 2.596 3.243 ( -0.827 0.680 -1.469) 1.818 3.330 ( -3.115 -4.152 0.414) 5.207 3.384 ( 0.605 -0.419 -1.572) 1.736 3.444 ( 1.243 -2.895 -1.921) 3.690 3.953 ( 6.470 1.285 1.335) 6.730 3.991 ( 3.047 -2.713 -2.508) 4.789 4.068 ( 1.167 -0.713 -0.816) 1.592 4.096 ( -0.680 -3.071 -1.557) 3.510 4.597 ( 0.738 2.203 -0.349) 2.349 4.662 ( -0.281 -4.954 0.212) 4.967 5.051 ( -1.011 5.235 -0.640) 5.370 5.143 ( -1.042 -4.806 -0.806) 4.983 5.458 ( -0.687 13.505 0.651) 13.538 5.705 ( -1.384 -13.609 1.101) 13.723 6.242 ( -2.285 8.070 1.687) 8.555 6.334 ( -0.648 -1.362 0.368) 1.552 6.436 ( 1.582 3.037 -1.788) 3.863 6.534 ( -0.009 -7.661 0.043) 7.661 6.910 ( -5.116 5.911 3.763) 8.676 6.999 ( -5.132 -3.713 3.876) 7.426 8.152 ( 1.473 3.333 -1.307) 3.872 8.233 ( 0.545 -5.479 -0.283) 5.513 8.547 ( -1.880 1.723 0.788) 2.669 8.585 ( -2.735 -2.463 1.146) 3.855 9.302 ( 2.450 5.688 -0.441) 6.209 9.390 ( 1.770 -3.523 -0.485) 3.972 9.460 ( -0.133 0.369 -0.865) 0.949 9.479 ( -0.650 -1.691 -0.855) 2.003 9.854 ( -0.379 -0.032 0.792) 0.879 9.866 ( -0.124 -1.619 0.572) 1.721 10.341 ( 3.597 5.235 -1.933) 6.639 10.409 ( 2.429 -2.307 -1.271) 3.583 11.688 ( -0.479 4.800 -0.584) 4.859 11.800 ( 0.345 -7.218 -0.735) 7.263 12.320 ( -2.742 3.888 2.266) 5.270 12.380 ( -2.570 -2.599 2.043) 4.188 13.088 ( -0.543 3.272 0.158) 3.321 13.132 ( -0.417 -1.064 0.869) 1.435 13.197 ( -0.609 -0.416 -0.016) 0.738 13.208 ( -0.479 -1.179 0.528) 1.378 13.310 ( -0.672 3.743 -0.143) 3.806 13.385 ( -0.720 -3.997 -0.234) 4.068 13.614 ( 0.278 1.696 0.607) 1.823 13.644 ( 0.199 -1.540 0.502) 1.632 13.852 ( -0.218 2.001 -0.953) 2.227 13.887 ( 0.615 -1.756 -0.873) 2.055 13.963 ( -0.029 0.656 0.397) 0.767 13.976 ( -0.160 -0.740 0.722) 1.047 ======================= Grid point 85 (40/102) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 5.367 0.000 17.491) 18.296 0.932 ( -6.740 0.000 19.036) 20.194 1.762 ( 1.931 0.000 -2.393) 3.075 1.913 ( 1.432 0.000 13.774) 13.848 2.066 ( 0.140 0.000 -0.431) 0.453 2.106 ( 1.717 0.000 -0.837) 1.910 2.171 ( -5.445 0.000 23.383) 24.009 2.176 ( 5.793 0.000 -1.754) 6.053 2.316 ( 5.203 0.000 15.939) 16.767 2.393 ( 3.427 0.000 1.822) 3.881 2.440 ( -2.977 0.000 3.052) 4.263 2.635 ( -2.225 0.000 8.658) 8.940 2.648 ( 3.663 0.000 2.958) 4.709 2.715 ( 9.734 0.000 -1.234) 9.812 2.799 ( 4.162 0.000 0.842) 4.247 2.956 ( -4.658 0.000 -0.316) 4.669 3.026 ( 4.521 0.000 2.321) 5.082 3.168 ( -0.768 0.000 -1.402) 1.598 3.192 ( 6.269 0.000 -6.635) 9.128 3.324 ( 0.391 0.000 1.539) 1.588 3.411 ( -0.895 0.000 0.892) 1.263 3.597 ( -0.590 0.000 5.356) 5.388 3.962 ( -1.794 0.000 3.752) 4.159 4.097 ( 0.861 0.000 0.515) 1.003 4.249 ( 7.121 0.000 3.589) 7.974 4.441 ( 2.625 0.000 8.425) 8.825 4.484 ( 1.000 0.000 -7.226) 7.295 4.923 ( -2.667 0.000 -3.831) 4.668 4.934 ( 2.542 0.000 0.885) 2.691 4.973 ( -0.437 0.000 2.153) 2.196 5.287 ( 4.062 0.000 0.608) 4.107 6.105 ( -1.474 0.000 5.567) 5.759 6.159 ( -1.245 0.000 0.077) 1.247 6.177 ( -1.573 0.000 1.888) 2.457 6.326 ( 3.977 0.000 -3.406) 5.236 6.651 ( -5.506 0.000 -0.334) 5.516 6.797 ( 0.564 0.000 2.516) 2.578 7.055 ( -3.729 0.000 2.640) 4.569 8.062 ( 1.226 0.000 -2.869) 3.120 8.363 ( -2.119 0.000 -1.552) 2.627 8.510 ( 0.660 0.000 1.210) 1.378 8.681 ( -1.201 0.000 3.253) 3.468 9.148 ( -0.768 0.000 -1.465) 1.654 9.388 ( -0.783 0.000 -2.812) 2.919 9.421 ( -0.083 0.000 -2.396) 2.397 9.488 ( 0.200 0.000 -1.181) 1.198 9.806 ( -2.715 0.000 -1.743) 3.226 9.902 ( 0.034 0.000 -3.609) 3.609 10.164 ( 1.021 0.000 -0.607) 1.188 10.379 ( -1.827 0.000 -3.505) 3.953 11.571 ( -0.482 0.000 -0.940) 1.056 11.907 ( -1.640 0.000 -5.413) 5.656 12.164 ( -3.119 0.000 1.367) 3.406 12.346 ( -3.616 0.000 -1.682) 3.988 12.999 ( 0.244 0.000 -0.121) 0.273 13.082 ( -1.930 0.000 -1.811) 2.646 13.165 ( -0.245 0.000 -1.085) 1.113 13.172 ( -2.519 0.000 -0.716) 2.619 13.277 ( -0.211 0.000 -0.073) 0.223 13.438 ( -0.056 0.000 -0.901) 0.903 13.587 ( -0.603 0.000 0.210) 0.638 13.651 ( -1.501 0.000 -0.929) 1.765 13.825 ( 2.079 0.000 1.190) 2.396 13.985 ( 1.490 0.000 1.820) 2.352 13.998 ( 1.942 0.000 1.382) 2.383 14.083 ( 1.071 0.000 3.787) 3.936 ======================= Grid point 86 (41/102) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 5.804 0.000 16.498) 17.489 1.299 ( 25.490 0.000 12.864) 28.552 1.759 ( -0.387 0.000 -2.161) 2.195 1.981 ( 0.639 0.000 3.043) 3.109 2.063 ( -0.023 0.000 -0.502) 0.503 2.138 ( 2.368 0.000 -0.796) 2.498 2.268 ( 3.537 0.000 -1.558) 3.865 2.284 ( 2.112 0.000 17.343) 17.471 2.367 ( -4.724 0.000 2.413) 5.305 2.431 ( 0.224 0.000 -1.617) 1.633 2.540 ( 4.294 0.000 15.350) 15.939 2.634 ( -2.695 0.000 7.081) 7.576 2.695 ( -8.721 0.000 -1.158) 8.798 2.761 ( 5.366 0.000 3.510) 6.412 2.824 ( 1.380 0.000 -5.244) 5.422 2.983 ( 4.438 0.000 -0.108) 4.439 3.096 ( 2.237 0.000 -2.488) 3.346 3.165 ( 0.550 0.000 2.767) 2.821 3.299 ( 7.083 0.000 -5.275) 8.832 3.314 ( -2.140 0.000 5.104) 5.534 3.410 ( -0.953 0.000 0.650) 1.153 3.672 ( 3.557 0.000 6.611) 7.507 3.937 ( -3.437 0.000 4.610) 5.750 4.148 ( 2.933 0.000 1.912) 3.501 4.379 ( 3.774 0.000 0.605) 3.822 4.387 ( -3.014 0.000 -5.930) 6.652 4.578 ( 3.493 0.000 4.828) 5.959 4.844 ( -2.456 0.000 -3.870) 4.583 4.942 ( -2.568 0.000 1.600) 3.025 5.015 ( 3.595 0.000 0.833) 3.690 5.367 ( 3.328 0.000 -0.271) 3.339 6.102 ( -0.611 0.000 3.222) 3.280 6.142 ( -0.650 0.000 0.628) 0.904 6.243 ( 4.503 0.000 4.794) 6.577 6.344 ( -0.198 0.000 -3.907) 3.912 6.601 ( 0.924 0.000 0.687) 1.152 6.823 ( 0.234 0.000 2.642) 2.652 7.035 ( 0.044 0.000 2.738) 2.738 8.057 ( 0.194 0.000 -2.818) 2.824 8.319 ( -1.156 0.000 -1.101) 1.596 8.537 ( 1.220 0.000 0.833) 1.477 8.705 ( 1.341 0.000 3.089) 3.368 9.095 ( -3.421 0.000 -1.122) 3.600 9.363 ( 0.269 0.000 -4.160) 4.169 9.402 ( -0.472 0.000 -0.833) 0.957 9.480 ( -0.266 0.000 -0.956) 0.993 9.741 ( -2.305 0.000 -1.730) 2.882 9.877 ( -0.374 0.000 -2.315) 2.345 10.156 ( -1.789 0.000 0.199) 1.800 10.303 ( -2.957 0.000 -4.155) 5.100 11.573 ( 1.286 0.000 -0.516) 1.386 11.836 ( -1.905 0.000 -3.975) 4.408 12.146 ( 0.209 0.000 2.296) 2.306 12.287 ( -1.290 0.000 -0.630) 1.436 13.009 ( 0.882 0.000 -0.213) 0.907 13.031 ( -1.921 0.000 -1.150) 2.238 13.139 ( -0.617 0.000 0.309) 0.690 13.155 ( -0.095 0.000 -0.922) 0.926 13.278 ( 0.291 0.000 -0.028) 0.293 13.442 ( 0.989 0.000 -0.742) 1.236 13.572 ( -0.940 0.000 0.253) 0.974 13.621 ( -0.910 0.000 -0.593) 1.086 13.873 ( 2.001 0.000 0.392) 2.039 14.014 ( -0.989 0.000 0.578) 1.146 14.033 ( 2.046 0.000 1.548) 2.566 14.126 ( 0.811 0.000 2.834) 2.947 ======================= Grid point 87 (42/102) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 8.908 0.000 12.122) 15.044 1.733 ( 0.917 0.000 -1.895) 2.105 1.831 ( 14.767 0.000 14.482) 20.683 2.006 ( 1.454 0.000 -1.084) 1.813 2.057 ( -0.759 0.000 0.274) 0.807 2.157 ( -0.784 0.000 -0.166) 0.801 2.253 ( -2.870 0.000 -0.431) 2.902 2.301 ( -2.803 0.000 -2.308) 3.631 2.422 ( 0.866 0.000 -2.146) 2.315 2.435 ( 4.817 0.000 7.816) 9.182 2.557 ( -3.560 0.000 -2.129) 4.148 2.587 ( -4.561 0.000 2.490) 5.196 2.704 ( 4.712 0.000 7.132) 8.548 2.758 ( -2.132 0.000 -8.311) 8.581 2.866 ( 2.899 0.000 1.140) 3.115 3.055 ( 1.983 0.000 1.143) 2.288 3.093 ( -0.428 0.000 -3.133) 3.162 3.196 ( -2.313 0.000 3.877) 4.514 3.334 ( -0.653 0.000 -0.026) 0.653 3.351 ( 1.316 0.000 -5.986) 6.129 3.412 ( 3.913 0.000 8.061) 8.960 3.755 ( -0.664 0.000 4.583) 4.631 3.904 ( -0.974 0.000 0.616) 1.153 4.194 ( -0.090 0.000 -0.936) 0.940 4.310 ( -0.166 0.000 -4.385) 4.388 4.371 ( -3.798 0.000 -3.686) 5.293 4.636 ( 0.201 0.000 -0.067) 0.212 4.792 ( -0.764 0.000 -1.005) 1.263 4.910 ( -0.602 0.000 0.559) 0.821 5.085 ( 3.149 0.000 -1.036) 3.315 5.401 ( 0.747 0.000 -2.396) 2.510 6.139 ( 2.135 0.000 2.521) 3.303 6.141 ( -0.467 0.000 2.068) 2.120 6.297 ( -1.161 0.000 -2.063) 2.368 6.373 ( 4.189 0.000 4.513) 6.157 6.664 ( 3.526 0.000 2.052) 4.080 6.829 ( -1.034 0.000 0.900) 1.371 7.094 ( 3.456 0.000 4.047) 5.322 8.038 ( -0.193 0.000 -2.518) 2.525 8.306 ( 0.055 0.000 0.482) 0.485 8.566 ( 1.503 0.000 0.146) 1.510 8.764 ( 2.563 0.000 2.439) 3.538 9.015 ( -3.950 0.000 -0.037) 3.951 9.335 ( -0.475 0.000 -3.214) 3.249 9.399 ( 0.242 0.000 0.009) 0.243 9.471 ( 0.298 0.000 -0.710) 0.770 9.705 ( -0.382 0.000 -0.560) 0.678 9.861 ( -0.316 0.000 -0.334) 0.460 10.098 ( -4.177 0.000 1.025) 4.301 10.223 ( -2.201 0.000 -3.636) 4.250 11.615 ( 2.992 0.000 0.291) 3.006 11.792 ( -0.703 0.000 -1.262) 1.444 12.198 ( 2.615 0.000 4.322) 5.052 12.290 ( 0.974 0.000 2.142) 2.353 13.001 ( -0.687 0.000 0.382) 0.786 13.028 ( 1.123 0.000 -0.365) 1.181 13.149 ( 0.769 0.000 2.032) 2.172 13.151 ( 0.176 0.000 -0.488) 0.519 13.287 ( 0.496 0.000 0.023) 0.496 13.466 ( 1.718 0.000 -0.286) 1.741 13.557 ( -0.819 0.000 0.499) 0.959 13.609 ( -0.027 0.000 -0.195) 0.197 13.904 ( 1.205 0.000 -0.840) 1.469 13.977 ( -2.488 0.000 -0.398) 2.520 14.076 ( 1.451 0.000 0.489) 1.532 14.143 ( -0.463 0.000 0.894) 1.006 ======================= Grid point 88 (43/102) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 4.153 0.000 7.816) 8.851 1.742 ( 1.212 0.000 -1.718) 2.102 1.975 ( -8.497 0.000 7.011) 11.016 2.013 ( 1.224 0.000 0.662) 1.391 2.028 ( -2.684 0.000 1.511) 3.080 2.185 ( -4.540 0.000 0.105) 4.541 2.185 ( 1.718 0.000 5.060) 5.344 2.261 ( 1.803 0.000 -4.242) 4.610 2.444 ( -7.860 0.000 -2.447) 8.232 2.448 ( 2.153 0.000 -2.878) 3.594 2.488 ( -0.588 0.000 -3.125) 3.180 2.615 ( 9.250 0.000 1.759) 9.415 2.678 ( 0.419 0.000 -8.530) 8.541 2.837 ( 2.722 0.000 5.124) 5.802 2.904 ( 0.905 0.000 -0.479) 1.024 3.004 ( -7.827 0.000 1.041) 7.896 3.048 ( -4.021 0.000 -0.531) 4.056 3.174 ( 0.292 0.000 1.337) 1.368 3.275 ( -2.311 0.000 -3.694) 4.358 3.297 ( -0.842 0.000 -7.101) 7.151 3.614 ( 6.790 0.000 5.075) 8.478 3.706 ( -4.995 0.000 1.370) 5.179 3.882 ( -1.713 0.000 -2.949) 3.410 4.164 ( 0.248 0.000 -1.206) 1.231 4.223 ( -5.601 0.000 -7.640) 9.473 4.294 ( -0.137 0.000 -4.641) 4.643 4.584 ( -3.330 0.000 -5.032) 6.034 4.800 ( 1.065 0.000 1.680) 1.989 4.924 ( 1.382 0.000 -0.013) 1.382 5.112 ( 0.728 0.000 -2.868) 2.959 5.366 ( -1.612 0.000 -4.944) 5.200 6.146 ( -0.783 0.000 3.359) 3.450 6.195 ( 1.098 0.000 2.759) 2.970 6.279 ( 0.673 0.000 -1.648) 1.781 6.453 ( 0.814 0.000 4.133) 4.212 6.752 ( 3.361 0.000 3.500) 4.852 6.798 ( -1.883 0.000 -0.654) 1.994 7.203 ( 3.843 0.000 5.161) 6.435 8.022 ( 0.102 0.000 -2.139) 2.142 8.327 ( 1.117 0.000 2.267) 2.527 8.600 ( 1.629 0.000 0.177) 1.638 8.829 ( 2.353 0.000 2.065) 3.131 8.949 ( -2.612 0.000 0.625) 2.686 9.309 ( -0.657 0.000 -1.270) 1.430 9.401 ( 0.253 0.000 -0.567) 0.621 9.495 ( 2.089 0.000 0.483) 2.144 9.720 ( 1.703 0.000 0.745) 1.858 9.861 ( -0.088 0.000 1.324) 1.327 10.025 ( -3.472 0.000 1.445) 3.761 10.178 ( -0.121 0.000 -2.240) 2.243 11.686 ( 3.304 0.000 0.942) 3.436 11.788 ( 0.339 0.000 1.057) 1.110 12.290 ( 2.574 0.000 6.364) 6.865 12.348 ( 2.447 0.000 4.990) 5.558 13.010 ( 0.759 0.000 1.973) 2.114 13.045 ( 0.790 0.000 -0.496) 0.932 13.155 ( 0.457 0.000 -0.036) 0.458 13.190 ( 1.399 0.000 3.452) 3.725 13.295 ( 0.313 0.000 -0.002) 0.313 13.501 ( 1.625 0.000 0.370) 1.667 13.547 ( -0.542 0.000 0.565) 0.783 13.614 ( 0.492 0.000 0.102) 0.503 13.910 ( 0.354 0.000 -1.844) 1.878 13.921 ( -2.371 0.000 -1.312) 2.709 14.090 ( -0.071 0.000 -0.706) 0.709 14.119 ( -1.738 0.000 -1.009) 2.010 ======================= Grid point 89 (44/102) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -2.195 0.000 4.784) 5.263 1.723 ( -4.777 0.000 2.024) 5.188 1.802 ( -11.008 0.000 7.329) 13.224 1.998 ( -0.563 0.000 2.055) 2.130 2.044 ( 2.186 0.000 -0.822) 2.335 2.077 ( -6.733 0.000 -0.270) 6.739 2.131 ( -6.604 0.000 -8.025) 10.393 2.267 ( 0.957 0.000 -3.656) 3.779 2.347 ( -1.846 0.000 7.996) 8.206 2.351 ( -4.591 0.000 -4.028) 6.108 2.629 ( 10.839 0.000 -4.699) 11.814 2.652 ( 1.813 0.000 -6.911) 7.145 2.753 ( -1.064 0.000 -1.596) 1.918 2.766 ( -6.960 0.000 -0.757) 7.001 2.893 ( -7.728 0.000 -3.750) 8.590 2.901 ( -3.534 0.000 0.713) 3.605 2.933 ( 1.909 0.000 2.359) 3.035 3.121 ( -5.608 0.000 0.759) 5.659 3.247 ( 0.155 0.000 -9.046) 9.047 3.301 ( 4.879 0.000 0.583) 4.914 3.612 ( -4.220 0.000 -0.246) 4.227 3.634 ( -5.397 0.000 -1.406) 5.577 3.806 ( -2.727 0.000 -1.765) 3.248 4.095 ( -1.996 0.000 -8.622) 8.850 4.215 ( 0.167 0.000 -7.123) 7.125 4.254 ( 3.133 0.000 3.813) 4.935 4.456 ( -4.745 0.000 -7.705) 9.049 4.851 ( 2.710 0.000 2.258) 3.527 4.948 ( 0.779 0.000 -0.100) 0.786 5.080 ( -1.846 0.000 -2.851) 3.396 5.291 ( -1.698 0.000 -6.066) 6.299 6.157 ( -0.341 0.000 3.894) 3.909 6.211 ( -0.904 0.000 2.317) 2.487 6.286 ( 0.124 0.000 -0.701) 0.712 6.464 ( -2.072 0.000 3.907) 4.423 6.757 ( -1.517 0.000 -0.631) 1.643 6.834 ( 2.393 0.000 3.588) 4.313 7.289 ( 0.927 0.000 5.105) 5.188 8.014 ( 0.529 0.000 -1.963) 2.033 8.374 ( 1.558 0.000 3.115) 3.483 8.618 ( -0.434 0.000 0.449) 0.624 8.871 ( -0.017 0.000 2.132) 2.132 8.932 ( 0.796 0.000 0.622) 1.010 9.303 ( 1.225 0.000 -0.847) 1.489 9.408 ( 0.721 0.000 -0.435) 0.842 9.542 ( 1.621 0.000 0.996) 1.902 9.774 ( 2.809 0.000 1.216) 3.061 9.873 ( 0.148 0.000 1.988) 1.994 9.992 ( -0.648 0.000 1.371) 1.516 10.200 ( 3.564 0.000 -1.466) 3.854 11.727 ( -0.262 0.000 0.973) 1.007 11.829 ( 2.689 0.000 2.115) 3.421 12.362 ( 0.013 0.000 7.209) 7.209 12.441 ( 2.614 0.000 6.250) 6.774 13.050 ( 0.020 0.000 -0.505) 0.506 13.051 ( 1.634 0.000 2.775) 3.221 13.167 ( 0.595 0.000 0.120) 0.606 13.243 ( 1.362 0.000 3.881) 4.113 13.298 ( -0.031 0.000 -0.067) 0.074 13.527 ( 0.424 0.000 0.721) 0.837 13.543 ( -0.135 0.000 0.430) 0.451 13.627 ( 0.653 0.000 0.248) 0.698 13.874 ( -1.254 0.000 -1.726) 2.133 13.896 ( -0.426 0.000 -2.247) 2.287 14.065 ( -1.710 0.000 -1.325) 2.163 14.069 ( -2.148 0.000 -1.865) 2.844 ======================= Grid point 90 (45/102) ======================= q-point: (-0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -7.414 0.000 6.473) 9.842 1.545 ( -15.919 0.000 15.917) 22.512 1.716 ( -1.646 0.000 -1.166) 2.018 1.926 ( -6.099 0.000 -1.654) 6.320 1.938 ( -6.605 0.000 -4.480) 7.981 2.033 ( 1.862 0.000 1.564) 2.432 2.082 ( 1.506 0.000 -0.990) 1.802 2.210 ( -3.302 0.000 -5.017) 6.006 2.304 ( 2.329 0.000 -2.823) 3.660 2.377 ( -4.921 0.000 9.099) 10.345 2.545 ( -9.366 0.000 -1.914) 9.560 2.609 ( 0.075 0.000 -10.100) 10.101 2.652 ( -5.384 0.000 0.125) 5.385 2.686 ( -6.768 0.000 -0.159) 6.770 2.745 ( -11.129 0.000 1.734) 11.263 2.917 ( 9.968 0.000 -2.756) 10.342 2.926 ( -4.432 0.000 1.527) 4.688 3.127 ( 5.145 0.000 -0.593) 5.179 3.176 ( 0.002 0.000 -10.781) 10.781 3.359 ( -1.829 0.000 2.919) 3.444 3.505 ( -2.933 0.000 -3.278) 4.399 3.559 ( -0.683 0.000 0.551) 0.878 3.802 ( 1.917 0.000 2.555) 3.195 4.020 ( -0.170 0.000 -7.810) 7.812 4.140 ( -1.923 0.000 -0.950) 2.145 4.287 ( -4.116 0.000 -4.881) 6.385 4.407 ( 5.435 0.000 -2.131) 5.838 4.928 ( 3.434 0.000 1.425) 3.718 4.949 ( -0.611 0.000 -0.070) 0.615 5.014 ( -3.060 0.000 -1.536) 3.424 5.235 ( -0.158 0.000 -5.247) 5.250 6.181 ( 0.143 0.000 3.375) 3.378 6.200 ( -1.342 0.000 1.839) 2.276 6.260 ( -2.463 0.000 -0.023) 2.463 6.430 ( -3.820 0.000 3.818) 5.401 6.737 ( -0.383 0.000 0.212) 0.438 6.882 ( 0.118 0.000 2.612) 2.615 7.298 ( -3.134 0.000 4.386) 5.391 8.017 ( 1.061 0.000 -2.023) 2.284 8.419 ( 0.837 0.000 2.590) 2.722 8.586 ( -2.758 0.000 0.423) 2.790 8.848 ( -3.409 0.000 2.045) 3.975 8.987 ( 3.988 0.000 0.309) 4.000 9.350 ( 3.610 0.000 -0.879) 3.715 9.420 ( 0.749 0.000 -0.491) 0.895 9.556 ( -0.595 0.000 -0.031) 0.596 9.836 ( 2.557 0.000 0.737) 2.661 9.890 ( 0.384 0.000 1.281) 1.337 10.017 ( 2.202 0.000 0.780) 2.336 10.288 ( 5.717 0.000 -1.590) 5.934 11.702 ( -2.493 0.000 0.816) 2.623 11.899 ( 2.900 0.000 1.039) 3.081 12.380 ( -2.868 0.000 6.364) 6.981 12.510 ( 0.211 0.000 5.085) 5.090 13.039 ( -0.729 0.000 -0.439) 0.851 13.101 ( 1.448 0.000 2.238) 2.666 13.178 ( 0.455 0.000 -0.085) 0.463 13.286 ( 0.358 0.000 3.000) 3.021 13.295 ( -0.115 0.000 0.061) 0.130 13.522 ( -1.242 0.000 0.346) 1.289 13.549 ( 0.502 0.000 0.488) 0.700 13.643 ( 0.792 0.000 0.319) 0.854 13.854 ( 0.434 0.000 -1.327) 1.396 13.865 ( -1.161 0.000 -2.081) 2.383 14.013 ( -2.429 0.000 -0.973) 2.617 14.022 ( -1.368 0.000 -0.969) 1.676 ======================= Grid point 91 (46/102) ======================= q-point: (-0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -16.592 0.000 11.963) 20.455 1.342 ( -16.845 0.000 16.545) 23.612 1.701 ( 0.821 0.000 -1.362) 1.590 1.838 ( -3.304 0.000 2.106) 3.918 1.909 ( 7.218 0.000 -4.536) 8.525 2.050 ( -13.803 0.000 10.654) 17.437 2.066 ( 1.004 0.000 1.326) 1.663 2.129 ( -10.708 0.000 11.010) 15.358 2.134 ( -1.456 0.000 -1.774) 2.295 2.390 ( 7.506 0.000 -1.346) 7.625 2.492 ( -4.455 0.000 -0.352) 4.469 2.539 ( -2.798 0.000 0.393) 2.825 2.542 ( -2.971 0.000 2.233) 3.717 2.592 ( 0.193 0.000 -4.156) 4.161 2.615 ( -4.708 0.000 5.899) 7.547 2.867 ( -0.762 0.000 0.395) 0.858 3.046 ( 3.638 0.000 -1.556) 3.957 3.135 ( 2.298 0.000 -8.376) 8.685 3.206 ( 1.849 0.000 1.306) 2.263 3.302 ( -3.008 0.000 -0.086) 3.009 3.467 ( -0.158 0.000 -3.346) 3.350 3.589 ( 1.770 0.000 1.950) 2.634 3.882 ( 3.623 0.000 2.733) 4.538 3.998 ( 2.349 0.000 -3.747) 4.422 4.145 ( 0.479 0.000 -0.965) 1.078 4.200 ( -0.599 0.000 1.766) 1.865 4.485 ( 3.893 0.000 -3.616) 5.313 4.921 ( -2.004 0.000 -0.134) 2.008 4.963 ( -1.186 0.000 0.139) 1.194 4.988 ( 1.939 0.000 -0.573) 2.022 5.214 ( 0.777 0.000 -3.318) 3.407 6.173 ( -4.115 0.000 3.720) 5.547 6.197 ( -0.548 0.000 2.024) 2.097 6.217 ( 0.183 0.000 -1.999) 2.007 6.364 ( -5.252 0.000 3.511) 6.317 6.744 ( 0.599 0.000 1.086) 1.240 6.865 ( -3.187 0.000 1.272) 3.432 7.233 ( -5.565 0.000 3.427) 6.535 8.030 ( 1.628 0.000 -2.291) 2.810 8.434 ( -0.657 0.000 1.202) 1.370 8.533 ( -2.523 0.000 0.529) 2.578 8.780 ( -4.515 0.000 2.172) 5.010 9.074 ( 4.357 0.000 -0.343) 4.371 9.411 ( 2.704 0.000 -1.236) 2.973 9.431 ( 0.730 0.000 -0.676) 0.995 9.525 ( -1.671 0.000 -1.833) 2.480 9.872 ( 0.377 0.000 0.482) 0.612 9.906 ( 1.311 0.000 -1.320) 1.860 10.075 ( 3.135 0.000 -0.077) 3.136 10.378 ( 4.094 0.000 -2.162) 4.630 11.650 ( -2.794 0.000 0.098) 2.795 11.948 ( 1.983 0.000 -1.396) 2.425 12.332 ( -5.233 0.000 4.189) 6.703 12.508 ( -2.850 0.000 2.250) 3.631 13.019 ( -0.955 0.000 -0.323) 1.008 13.129 ( 0.357 0.000 0.602) 0.700 13.182 ( 0.121 0.000 -0.504) 0.518 13.284 ( -1.239 0.000 0.302) 1.276 13.297 ( -0.694 0.000 0.875) 1.117 13.489 ( -1.841 0.000 -0.323) 1.870 13.569 ( 0.934 0.000 0.787) 1.222 13.664 ( 1.007 0.000 0.324) 1.058 13.824 ( -1.723 0.000 -1.423) 2.235 13.876 ( 2.158 0.000 -0.038) 2.158 13.968 ( -1.582 0.000 0.095) 1.585 14.010 ( 0.127 0.000 1.246) 1.253 ======================= Grid point 92 (47/102) ======================= q-point: (-0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -25.721 0.000 12.932) 28.789 1.067 ( -17.289 0.000 16.306) 23.765 1.721 ( 2.092 0.000 0.205) 2.102 1.800 ( -3.009 0.000 16.478) 16.751 2.030 ( -1.338 0.000 29.900) 29.930 2.035 ( 4.700 0.000 -2.024) 5.118 2.098 ( -1.055 0.000 1.934) 2.203 2.110 ( 2.015 0.000 -3.612) 4.136 2.208 ( 10.116 0.000 6.180) 11.854 2.326 ( -8.371 0.000 1.027) 8.434 2.473 ( -1.692 0.000 2.004) 2.623 2.572 ( 5.493 0.000 -0.872) 5.561 2.575 ( 2.011 0.000 2.247) 3.016 2.613 ( -1.395 0.000 8.340) 8.455 2.631 ( 7.758 0.000 -0.081) 7.758 2.915 ( 4.122 0.000 2.429) 4.784 3.050 ( -2.811 0.000 0.554) 2.865 3.144 ( 3.794 0.000 -7.598) 8.493 3.203 ( -2.055 0.000 0.188) 2.063 3.286 ( 1.154 0.000 1.423) 1.832 3.440 ( -0.682 0.000 -2.831) 2.912 3.605 ( -1.823 0.000 2.999) 3.509 3.953 ( 1.982 0.000 -0.267) 2.000 4.083 ( 5.975 0.000 4.268) 7.342 4.108 ( -0.944 0.000 -2.422) 2.599 4.300 ( 4.397 0.000 8.349) 9.436 4.512 ( 1.883 0.000 -5.921) 6.213 4.898 ( 0.191 0.000 0.392) 0.436 4.960 ( 0.217 0.000 1.250) 1.268 4.986 ( -1.090 0.000 -2.671) 2.885 5.224 ( 1.913 0.000 -0.660) 2.023 6.115 ( -3.402 0.000 4.193) 5.399 6.185 ( -1.426 0.000 0.680) 1.579 6.224 ( -0.673 0.000 -0.126) 0.684 6.289 ( -1.655 0.000 0.471) 1.721 6.769 ( 0.817 0.000 1.815) 1.990 6.776 ( -6.014 0.000 0.032) 6.015 7.137 ( -5.774 0.000 2.578) 6.323 8.049 ( 1.828 0.000 -2.690) 3.253 8.411 ( -1.800 0.000 -0.448) 1.855 8.503 ( -0.843 0.000 0.914) 1.243 8.711 ( -3.687 0.000 2.713) 4.577 9.139 ( 2.423 0.000 -1.053) 2.642 9.427 ( -0.149 0.000 -2.785) 2.789 9.431 ( -0.296 0.000 -0.732) 0.789 9.490 ( 0.200 0.000 -2.110) 2.119 9.858 ( -1.591 0.000 -0.571) 1.690 9.916 ( 1.007 0.000 -3.340) 3.489 10.131 ( 2.596 0.000 -0.708) 2.691 10.411 ( 0.832 0.000 -2.757) 2.880 11.600 ( -1.898 0.000 -0.679) 2.016 11.954 ( 0.329 0.000 -4.191) 4.204 12.242 ( -5.472 0.000 2.093) 5.858 12.437 ( -4.409 0.000 -0.512) 4.438 13.002 ( -0.507 0.000 -0.166) 0.534 13.121 ( -0.946 0.000 -1.113) 1.461 13.176 ( -0.171 0.000 -0.911) 0.927 13.237 ( -3.151 0.000 -0.467) 3.185 13.286 ( -0.520 0.000 -0.137) 0.538 13.455 ( -1.101 0.000 -0.749) 1.332 13.588 ( 0.335 0.000 0.604) 0.691 13.677 ( -0.122 0.000 -0.427) 0.444 13.795 ( -0.162 0.000 0.278) 0.322 13.934 ( 3.051 0.000 1.389) 3.352 13.958 ( 0.095 0.000 1.199) 1.203 14.038 ( 1.029 0.000 3.183) 3.346 ======================= Grid point 93 (48/102) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 11.727 12.185 15.072) 22.653 1.164 ( -8.451 18.337 15.472) 25.437 1.699 ( 3.631 -6.896 -1.304) 7.902 1.857 ( 0.172 -5.440 9.441) 10.897 2.002 ( 2.094 -5.605 3.697) 7.033 2.062 ( 4.538 -4.879 3.828) 7.684 2.210 ( -3.970 4.144 10.079) 11.598 2.229 ( 2.557 3.763 0.547) 4.582 2.317 ( 1.955 2.119 12.372) 12.704 2.426 ( 2.914 2.597 3.384) 5.166 2.509 ( -0.911 4.844 7.279) 8.791 2.607 ( 0.832 0.464 2.888) 3.041 2.620 ( 0.521 -2.150 4.098) 4.657 2.753 ( 6.573 0.978 2.341) 7.046 2.805 ( 2.780 1.146 3.515) 4.626 2.964 ( -0.422 1.482 -0.202) 1.554 3.074 ( 2.788 4.238 1.298) 5.236 3.184 ( 5.695 -0.242 -4.577) 7.310 3.195 ( -0.811 2.576 -2.509) 3.686 3.305 ( 0.301 -1.891 1.284) 2.306 3.388 ( -0.927 -2.387 0.780) 2.677 3.551 ( -1.750 -5.874 7.430) 9.632 3.941 ( 0.303 -1.628 1.923) 2.538 4.055 ( 1.741 -3.486 0.079) 3.897 4.274 ( 6.761 1.854 4.617) 8.394 4.414 ( 3.879 -2.741 8.916) 10.103 4.484 ( -0.738 0.436 -6.651) 6.706 4.731 ( -2.375 -9.953 -2.036) 10.434 4.990 ( 2.527 4.421 1.136) 5.217 5.188 ( -1.185 13.689 -0.280) 13.743 5.256 ( 3.582 -3.202 0.998) 4.907 5.937 ( -1.760 -13.385 0.739) 13.520 6.167 ( -0.022 5.852 4.993) 7.693 6.303 ( -1.280 3.633 0.490) 3.883 6.352 ( 2.565 2.574 -3.299) 4.908 6.664 ( -2.842 -0.993 0.825) 3.121 6.789 ( -1.485 1.499 2.028) 2.926 7.040 ( -3.773 -1.712 2.690) 4.940 8.071 ( 0.967 1.129 -2.903) 3.261 8.303 ( -1.525 -5.539 -1.674) 5.984 8.530 ( 0.196 1.609 1.193) 2.013 8.649 ( -0.990 -2.936 2.798) 4.175 9.195 ( -0.741 4.519 -1.470) 4.809 9.392 ( -0.549 0.268 -3.391) 3.445 9.410 ( -0.265 -1.097 -1.550) 1.918 9.472 ( 0.137 -1.591 -1.142) 1.963 9.811 ( -2.362 0.431 -1.554) 2.860 9.874 ( -0.511 -2.278 -2.179) 3.193 10.213 ( 0.987 4.457 -2.182) 5.060 10.372 ( -1.638 -0.820 -3.654) 4.087 11.583 ( -0.511 1.553 -1.171) 2.011 11.845 ( -1.431 -5.730 -4.300) 7.305 12.202 ( -3.254 3.378 0.514) 4.719 12.338 ( -3.636 -0.935 -1.514) 4.048 13.023 ( 0.055 2.480 -0.096) 2.482 13.091 ( -1.939 0.965 -1.578) 2.680 13.160 ( -2.203 -1.036 -0.885) 2.590 13.186 ( -0.330 1.659 -0.991) 1.961 13.265 ( -0.180 -0.932 -0.178) 0.966 13.416 ( -0.106 -2.341 -0.883) 2.504 13.597 ( -0.641 0.962 0.101) 1.160 13.649 ( -1.297 -0.362 -0.844) 1.590 13.836 ( 1.910 1.255 1.064) 2.521 13.955 ( 1.612 -2.158 1.129) 2.921 14.019 ( 1.688 1.284 2.248) 3.091 14.077 ( 1.141 -0.627 3.687) 3.910 ======================= Grid point 94 (49/102) ======================= q-point: ( 0.12 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 3.191 14.423 13.030) 19.697 1.377 ( 21.892 7.976 11.375) 25.928 1.723 ( 0.212 -3.642 -1.573) 3.973 1.892 ( 0.468 -7.065 1.925) 7.338 2.058 ( 1.615 -2.769 3.036) 4.415 2.150 ( 2.229 0.932 -1.587) 2.891 2.261 ( 3.122 -1.053 6.594) 7.371 2.294 ( 2.660 1.477 0.721) 3.127 2.379 ( -2.563 1.795 5.793) 6.584 2.455 ( -0.988 0.953 3.311) 3.584 2.586 ( 0.173 1.639 6.920) 7.113 2.600 ( -1.184 0.868 6.700) 6.859 2.725 ( 6.291 -0.993 1.717) 6.596 2.755 ( -5.498 3.486 1.478) 6.675 2.850 ( 1.762 3.392 1.052) 3.965 3.031 ( 3.868 4.210 -0.323) 5.726 3.109 ( 1.445 1.239 -3.143) 3.675 3.173 ( -0.075 0.805 0.349) 0.881 3.272 ( 3.988 -2.635 -3.540) 5.947 3.306 ( 0.438 -0.531 5.401) 5.445 3.387 ( -1.326 -2.452 0.667) 2.867 3.620 ( 2.694 -6.426 8.944) 11.337 3.952 ( -1.468 1.756 3.782) 4.420 4.109 ( 3.496 -3.421 1.227) 5.043 4.394 ( -2.908 0.816 -6.072) 6.782 4.401 ( 3.108 1.860 1.808) 4.048 4.539 ( 2.781 -3.672 5.135) 6.898 4.657 ( -3.113 -10.771 -2.837) 11.565 5.060 ( 3.639 4.473 0.815) 5.823 5.160 ( -1.503 14.396 0.223) 14.476 5.334 ( 3.386 -3.342 0.223) 4.763 5.926 ( 0.075 -12.737 1.214) 12.795 6.220 ( 1.328 5.875 4.114) 7.294 6.308 ( 1.582 3.136 1.740) 3.920 6.356 ( 0.020 1.438 -3.405) 3.696 6.645 ( 0.955 2.781 1.249) 3.195 6.799 ( 0.265 -1.212 2.570) 2.854 7.019 ( 0.064 -1.740 2.915) 3.396 8.061 ( -0.046 0.552 -2.819) 2.873 8.264 ( -1.088 -5.275 -1.400) 5.564 8.552 ( 1.070 1.313 0.946) 1.940 8.671 ( 1.254 -3.038 2.570) 4.172 9.145 ( -3.120 4.740 -1.148) 5.790 9.360 ( -0.386 -0.797 -4.323) 4.412 9.396 ( -0.234 -0.242 -0.360) 0.493 9.462 ( -0.387 -1.656 -1.042) 1.994 9.758 ( -1.668 1.535 -1.323) 2.624 9.853 ( -0.368 -2.165 -1.259) 2.531 10.191 ( -2.148 3.141 -1.206) 3.992 10.296 ( -3.002 -0.652 -4.177) 5.185 11.583 ( 1.160 1.191 -0.714) 1.809 11.790 ( -1.296 -4.439 -3.258) 5.657 12.174 ( -0.178 2.540 1.679) 3.051 12.281 ( -1.235 -0.750 -0.439) 1.510 13.025 ( -0.155 1.427 -0.361) 1.480 13.048 ( -0.948 1.921 -0.590) 2.222 13.128 ( -0.613 -0.959 -0.032) 1.139 13.176 ( -0.147 1.737 -0.809) 1.921 13.267 ( 0.476 -0.826 -0.124) 0.962 13.419 ( 0.908 -2.461 -0.714) 2.718 13.581 ( -0.935 0.860 0.144) 1.278 13.620 ( -0.906 -0.127 -0.593) 1.090 13.881 ( 1.845 0.895 0.400) 2.089 13.984 ( 0.294 -2.161 0.569) 2.254 14.056 ( 0.936 1.490 1.704) 2.450 14.120 ( 0.811 -0.643 2.756) 2.944 ======================= Grid point 95 (50/102) ======================= q-point: ( 0.25 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 7.585 9.548 9.782) 15.633 1.714 ( 1.119 -1.821 -1.775) 2.779 1.788 ( 8.749 -4.087 8.797) 13.063 1.924 ( 2.899 -6.120 0.606) 6.799 2.123 ( 2.497 2.600 3.035) 4.712 2.154 ( -0.256 2.691 -1.455) 3.070 2.294 ( -3.187 2.493 0.840) 4.133 2.325 ( -1.740 2.389 -1.932) 3.531 2.350 ( 1.905 -3.586 1.980) 4.517 2.474 ( 0.136 0.506 4.213) 4.246 2.538 ( -2.626 -0.537 -1.402) 3.025 2.656 ( -0.983 -1.626 -0.860) 2.086 2.697 ( -0.366 6.685 4.038) 7.819 2.804 ( 1.992 2.868 -2.682) 4.403 2.901 ( 2.257 4.940 1.839) 5.735 3.065 ( 1.027 1.023 -0.636) 1.583 3.091 ( -0.908 -0.096 -2.959) 3.097 3.188 ( -1.969 -0.581 3.138) 3.750 3.299 ( -0.803 -3.655 -5.180) 6.390 3.344 ( -0.090 -0.955 -1.746) 1.992 3.406 ( 5.598 -0.097 9.515) 11.040 3.716 ( 0.643 -4.580 5.741) 7.372 3.939 ( -1.093 3.614 1.101) 3.933 4.181 ( 2.096 -1.478 -0.434) 2.601 4.307 ( -1.119 -0.124 -4.975) 5.101 4.394 ( -3.998 2.077 -2.042) 4.947 4.552 ( -1.573 -9.718 -3.787) 10.548 4.624 ( 0.325 -6.810 1.159) 6.915 5.116 ( 1.028 7.277 -1.111) 7.432 5.153 ( 1.374 12.354 0.624) 12.446 5.374 ( 0.999 -2.745 -2.100) 3.598 5.950 ( 0.912 -12.591 2.183) 12.811 6.252 ( 0.337 5.360 1.903) 5.698 6.319 ( -0.274 2.491 -1.926) 3.161 6.398 ( 3.456 1.565 3.757) 5.339 6.696 ( 2.147 0.529 1.822) 2.865 6.820 ( 0.526 1.505 1.925) 2.499 7.081 ( 3.435 -1.559 4.339) 5.749 8.039 ( -0.282 0.268 -2.400) 2.432 8.248 ( 0.048 -5.626 -0.001) 5.627 8.581 ( 1.425 1.336 0.312) 1.978 8.720 ( 2.017 -3.702 1.840) 4.599 9.073 ( -3.358 5.291 0.020) 6.266 9.320 ( -1.193 -1.921 -2.518) 3.385 9.396 ( 0.373 -0.054 -0.505) 0.630 9.452 ( 0.402 -1.599 -0.711) 1.796 9.736 ( -0.021 2.759 -0.167) 2.764 9.846 ( 0.006 -1.399 0.331) 1.437 10.119 ( -4.285 1.997 -0.018) 4.728 10.214 ( -2.505 -1.011 -3.539) 4.452 11.621 ( 2.757 0.673 0.166) 2.842 11.761 ( -0.165 -3.075 -1.012) 3.241 12.215 ( 2.284 1.638 3.969) 4.864 12.286 ( 1.067 -0.461 2.282) 2.561 13.012 ( -0.396 1.296 0.614) 1.488 13.052 ( 0.831 2.354 -0.087) 2.498 13.134 ( 0.636 -1.261 1.546) 2.094 13.171 ( 0.088 1.441 -0.315) 1.477 13.280 ( 0.819 -0.286 -0.021) 0.868 13.441 ( 1.614 -2.598 -0.248) 3.068 13.566 ( -0.730 0.871 0.410) 1.208 13.608 ( -0.124 -0.224 -0.163) 0.303 13.908 ( 0.989 0.519 -0.798) 1.372 13.967 ( -1.822 -1.009 -0.473) 2.136 14.084 ( 0.980 0.803 0.558) 1.385 14.137 ( -0.376 -0.607 0.866) 1.123 ======================= Grid point 96 (51/102) ======================= q-point: ( 0.38 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 2.467 5.666 6.348) 8.860 1.726 ( 0.731 -1.276 -1.376) 2.014 1.861 ( -1.164 -7.565 2.897) 8.184 1.960 ( -3.245 -3.104 0.746) 4.552 2.114 ( -0.912 -0.685 1.111) 1.592 2.181 ( -4.351 3.862 1.846) 6.104 2.212 ( 0.776 2.692 -0.480) 2.843 2.310 ( -1.467 3.745 0.004) 4.022 2.380 ( -1.633 -3.542 -0.625) 3.950 2.475 ( 0.220 2.308 -3.415) 4.127 2.500 ( 1.320 -0.382 -0.121) 1.379 2.646 ( 0.366 -2.715 -5.035) 5.732 2.702 ( 3.276 7.555 0.522) 8.251 2.860 ( 1.573 1.782 2.974) 3.807 2.917 ( -0.198 1.320 -2.009) 2.412 3.004 ( -7.164 -0.054 0.548) 7.186 3.056 ( -2.732 0.893 -1.658) 3.318 3.152 ( -0.661 -2.179 1.772) 2.886 3.256 ( 0.227 -1.347 -4.654) 4.850 3.299 ( -1.674 -0.088 -5.080) 5.349 3.600 ( 5.649 -0.846 4.419) 7.222 3.703 ( -3.731 -0.818 1.937) 4.283 3.917 ( -1.401 3.824 -2.619) 4.842 4.177 ( 0.684 1.392 -1.354) 2.059 4.249 ( -5.252 2.197 -7.384) 9.324 4.295 ( -0.445 0.175 -2.814) 2.854 4.494 ( -1.738 -10.005 -4.607) 11.151 4.622 ( -0.211 -9.129 -0.790) 9.165 5.116 ( 0.274 7.790 -1.785) 7.996 5.182 ( 0.841 10.906 -0.343) 10.943 5.346 ( -1.374 -2.010 -4.708) 5.300 5.980 ( 0.267 -12.729 3.183) 13.123 6.264 ( -0.236 4.097 1.741) 4.458 6.317 ( 0.759 3.731 -1.010) 3.939 6.471 ( 1.088 0.737 3.639) 3.869 6.719 ( -0.519 -4.471 0.234) 4.508 6.864 ( 2.039 7.474 3.583) 8.536 7.189 ( 3.663 -1.624 5.408) 6.731 8.023 ( 0.174 0.432 -1.898) 1.955 8.266 ( 1.165 -6.005 1.635) 6.332 8.613 ( 1.535 1.263 0.305) 2.011 8.767 ( 1.478 -4.599 1.405) 5.031 9.024 ( -1.741 5.880 0.834) 6.189 9.285 ( -1.061 -2.551 -0.856) 2.893 9.403 ( 0.748 0.347 -0.611) 1.026 9.477 ( 2.030 -1.616 0.466) 2.636 9.752 ( 1.281 2.914 0.864) 3.298 9.855 ( 0.076 -0.654 1.627) 1.755 10.044 ( -3.045 1.867 0.820) 3.665 10.164 ( -0.318 -1.506 -2.056) 2.568 11.685 ( 2.995 -0.011 0.889) 3.124 11.766 ( 0.637 -2.165 0.991) 2.465 12.301 ( 2.490 1.044 6.152) 6.719 12.347 ( 2.484 -0.220 5.063) 5.644 13.026 ( 0.852 1.786 2.176) 2.941 13.067 ( 0.632 2.183 -0.279) 2.290 13.164 ( 0.773 -0.181 1.218) 1.454 13.181 ( 0.896 -0.411 1.959) 2.193 13.296 ( 0.635 0.476 0.065) 0.797 13.474 ( 1.479 -2.737 0.359) 3.132 13.558 ( -0.357 1.028 0.562) 1.225 13.611 ( 0.405 -0.393 0.168) 0.589 13.910 ( 0.010 -0.001 -1.781) 1.781 13.919 ( -2.007 -0.172 -1.451) 2.483 14.092 ( -0.236 0.254 -0.738) 0.815 14.116 ( -1.577 -0.325 -0.991) 1.891 ======================= Grid point 97 (52/102) ======================= q-point: (-0.50 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -6.654 0.363 6.536) 9.334 1.702 ( -1.986 -2.652 -0.294) 3.327 1.809 ( -8.269 0.764 5.256) 9.827 1.900 ( 0.564 -5.650 -0.609) 5.711 2.039 ( -7.649 -1.975 -1.172) 7.987 2.103 ( -3.528 0.139 -2.981) 4.621 2.184 ( -3.353 6.347 -2.109) 7.482 2.279 ( 1.089 1.631 -2.054) 2.840 2.328 ( -2.072 -0.097 0.804) 2.225 2.435 ( -3.415 4.752 1.625) 6.073 2.620 ( 9.253 -2.306 -3.139) 10.040 2.622 ( 1.913 -3.194 -5.874) 6.954 2.744 ( -2.931 2.351 -1.663) 4.109 2.773 ( -8.310 0.888 -2.841) 8.827 2.880 ( -6.029 -0.637 0.857) 6.123 2.960 ( 0.732 2.846 0.717) 3.025 2.964 ( 1.560 3.463 -3.029) 4.858 3.124 ( -5.048 0.415 1.237) 5.213 3.225 ( 0.085 -2.047 -8.793) 9.029 3.289 ( 3.729 -1.288 -0.521) 3.979 3.611 ( -4.338 0.191 0.332) 4.355 3.637 ( -3.818 0.545 0.458) 3.883 3.835 ( -3.771 2.992 -3.105) 5.729 4.115 ( -3.115 1.522 -7.412) 8.183 4.217 ( -3.019 -0.113 -6.573) 7.234 4.261 ( 5.169 1.193 2.419) 5.830 4.402 ( -3.799 -5.368 -5.973) 8.884 4.645 ( 2.960 -12.322 0.099) 12.673 5.092 ( -1.293 3.778 -2.904) 4.938 5.191 ( 0.229 13.302 0.597) 13.317 5.277 ( -1.585 -0.876 -5.544) 5.832 6.003 ( -0.183 -12.644 3.591) 13.145 6.266 ( -0.726 4.094 1.719) 4.499 6.320 ( -0.294 3.435 -0.169) 3.451 6.488 ( -1.446 0.893 3.205) 3.627 6.699 ( -1.067 -5.184 -0.342) 5.303 6.928 ( 1.403 8.407 4.321) 9.556 7.272 ( 0.726 -1.894 5.333) 5.705 8.021 ( 0.697 0.938 -1.656) 2.026 8.308 ( 1.473 -6.470 2.376) 7.048 8.633 ( -0.182 1.398 0.593) 1.529 8.795 ( 0.327 -4.910 1.381) 5.111 9.018 ( 0.516 5.970 0.989) 6.073 9.278 ( 1.127 -2.646 -0.562) 2.930 9.417 ( 0.906 1.035 -0.256) 1.399 9.523 ( 1.610 -1.896 0.927) 2.654 9.793 ( 2.025 1.814 1.253) 2.993 9.867 ( -0.071 -0.594 2.084) 2.168 10.022 ( 0.289 2.933 0.972) 3.103 10.184 ( 3.449 -1.673 -1.244) 4.030 11.724 ( -0.083 -0.206 0.987) 1.012 11.805 ( 2.233 -2.363 1.905) 3.768 12.376 ( 0.449 1.311 7.061) 7.196 12.438 ( 2.445 -0.368 6.296) 6.764 13.063 ( 0.723 1.769 1.216) 2.266 13.077 ( 0.819 2.268 1.353) 2.765 13.177 ( 0.538 0.578 0.042) 0.790 13.228 ( 1.328 -1.659 3.760) 4.319 13.304 ( 0.057 1.061 0.108) 1.068 13.497 ( 0.400 -2.786 0.636) 2.885 13.559 ( -0.004 1.228 0.562) 1.350 13.623 ( 0.626 -0.482 0.319) 0.852 13.874 ( -1.216 0.035 -1.844) 2.209 13.892 ( -0.502 -0.343 -2.266) 2.347 14.065 ( -1.716 0.037 -1.393) 2.210 14.068 ( -2.113 -0.057 -1.836) 2.800 ======================= Grid point 98 (53/102) ======================= q-point: (-0.38 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -11.740 -2.819 14.219) 18.653 1.641 ( -10.237 0.392 3.106) 10.705 1.643 ( -7.242 -1.205 3.167) 7.996 1.884 ( -4.004 -2.439 -1.706) 4.989 1.926 ( -6.732 -2.897 -3.804) 8.257 1.946 ( 0.236 -4.910 -0.772) 4.976 2.150 ( -0.794 4.085 -0.994) 4.278 2.264 ( -1.960 4.943 -2.847) 6.032 2.304 ( 2.025 -0.250 -2.486) 3.215 2.438 ( 0.709 2.093 5.195) 5.645 2.531 ( -8.816 1.345 0.387) 8.927 2.612 ( -6.476 -0.627 -2.044) 6.820 2.629 ( -2.313 0.422 -6.543) 6.953 2.715 ( -4.903 -2.284 0.294) 5.417 2.778 ( -2.389 6.381 -1.940) 7.084 2.916 ( 1.393 2.298 -0.945) 2.848 3.002 ( -1.773 4.992 0.172) 5.300 3.124 ( 4.939 -0.402 -0.418) 4.973 3.156 ( 0.785 -1.444 -10.759) 10.884 3.344 ( -0.536 -1.751 2.213) 2.873 3.501 ( -4.885 0.515 -0.621) 4.951 3.581 ( -1.350 1.716 0.846) 2.341 3.802 ( 1.307 0.060 1.563) 2.038 4.029 ( -0.906 0.348 -6.253) 6.328 4.102 ( -4.000 -4.049 -2.671) 6.287 4.250 ( -4.372 -3.406 -4.823) 7.347 4.417 ( 5.866 1.307 -0.641) 6.044 4.717 ( 3.537 -10.751 0.134) 11.319 5.034 ( -2.631 3.073 -2.132) 4.572 5.195 ( 0.167 7.977 -1.220) 8.072 5.229 ( -0.252 5.025 -2.647) 5.685 6.018 ( -0.659 -12.797 3.043) 13.170 6.258 ( -1.457 4.046 1.950) 4.722 6.299 ( -1.620 3.847 0.050) 4.175 6.464 ( -2.838 1.357 2.942) 4.307 6.682 ( -0.532 -5.333 0.206) 5.364 6.962 ( -0.839 7.549 3.537) 8.378 7.280 ( -3.182 -1.945 4.623) 5.939 8.028 ( 1.199 1.464 -1.760) 2.584 8.345 ( 0.681 -6.967 1.816) 7.232 8.609 ( -2.346 1.978 0.641) 3.135 8.788 ( -2.127 -4.685 1.427) 5.340 9.057 ( 2.918 5.782 0.573) 6.502 9.325 ( 3.596 -2.643 -0.683) 4.515 9.431 ( 0.590 1.136 -0.366) 1.331 9.539 ( -0.407 -1.762 0.012) 1.809 9.841 ( 1.957 0.482 0.752) 2.151 9.880 ( 0.087 -0.771 1.712) 1.879 10.061 ( 2.978 4.211 0.162) 5.160 10.271 ( 5.641 -1.817 -1.469) 6.106 11.705 ( -2.115 0.465 0.781) 2.302 11.860 ( 2.068 -3.774 1.007) 4.420 12.403 ( -2.198 2.269 6.157) 6.921 12.504 ( 0.077 -0.666 5.160) 5.204 13.060 ( -0.573 2.138 -0.336) 2.239 13.118 ( 1.134 1.731 2.320) 3.109 13.188 ( 0.573 0.559 -0.176) 0.819 13.269 ( 0.355 -1.749 2.960) 3.456 13.301 ( -0.393 1.065 0.198) 1.152 13.495 ( -1.009 -2.708 0.353) 2.912 13.566 ( 0.408 1.449 0.582) 1.614 13.640 ( 0.797 -0.470 0.360) 0.993 13.851 ( 0.002 -0.182 -1.499) 1.510 13.865 ( -0.594 -0.125 -2.005) 2.095 14.013 ( -2.364 -0.018 -1.000) 2.567 14.021 ( -1.529 -0.101 -1.018) 1.840 ======================= Grid point 99 (54/102) ======================= q-point: (-0.25 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -20.264 -4.479 11.847) 23.897 1.383 ( -14.404 4.330 16.935) 22.650 1.570 ( -0.912 -11.065 0.059) 11.103 1.770 ( -4.346 -6.081 3.365) 8.197 1.901 ( 2.876 -0.696 0.074) 2.960 1.970 ( 0.420 -4.620 -0.883) 4.723 2.139 ( 1.263 4.621 0.883) 4.872 2.215 ( -1.822 6.233 0.125) 6.495 2.318 ( -14.150 13.625 10.960) 22.495 2.376 ( 5.818 -1.926 -0.490) 6.147 2.473 ( -6.464 0.979 -0.356) 6.548 2.488 ( 1.004 -1.415 3.601) 3.997 2.563 ( -1.722 -0.950 -0.959) 2.188 2.644 ( -0.240 3.691 -2.098) 4.253 2.701 ( -3.929 8.543 2.245) 9.667 2.903 ( -0.312 3.767 0.407) 3.802 3.051 ( 2.746 -0.831 -0.744) 2.964 3.118 ( 1.911 -0.589 -6.434) 6.738 3.193 ( 1.883 -0.991 -0.770) 2.263 3.307 ( -2.564 0.546 -0.015) 2.621 3.448 ( -0.296 -1.872 -2.848) 3.421 3.586 ( -0.363 -1.002 3.058) 3.238 3.873 ( 3.780 -0.884 2.227) 4.476 3.995 ( 0.322 -0.281 -3.805) 3.829 4.061 ( 1.210 -7.930 -1.422) 8.147 4.175 ( -0.633 -2.708 2.115) 3.494 4.502 ( 3.513 1.868 -2.382) 4.637 4.768 ( 1.609 -8.849 -0.521) 9.010 4.974 ( -2.033 3.782 -0.748) 4.358 5.187 ( 0.645 -0.081 -2.549) 2.630 5.223 ( -0.114 12.133 -0.126) 12.134 6.011 ( -1.725 -13.211 1.888) 13.456 6.220 ( -3.903 4.630 3.080) 6.794 6.283 ( 0.670 3.950 -1.144) 4.166 6.416 ( -3.700 2.308 2.451) 5.003 6.682 ( 0.099 -5.982 0.927) 6.054 6.935 ( -3.753 6.587 2.242) 7.905 7.217 ( -5.612 -1.754 3.708) 6.951 8.044 ( 1.629 1.713 -2.143) 3.190 8.355 ( -0.480 -6.972 0.540) 7.009 8.564 ( -2.375 2.234 0.753) 3.346 8.736 ( -3.788 -3.927 1.701) 5.715 9.130 ( 3.813 5.213 -0.207) 6.462 9.389 ( 2.976 -2.356 -1.023) 3.931 9.436 ( 0.330 0.593 -0.849) 1.087 9.512 ( -1.563 -1.357 -1.576) 2.601 9.871 ( 0.436 -0.122 0.264) 0.524 9.891 ( 0.466 -1.129 -0.011) 1.222 10.128 ( 3.763 4.949 -1.151) 6.323 10.362 ( 4.262 -1.769 -2.229) 5.125 11.660 ( -2.479 1.204 -0.001) 2.756 11.893 ( 1.149 -5.248 -1.040) 5.472 12.367 ( -4.599 3.228 3.759) 6.760 12.500 ( -2.933 -0.837 2.347) 3.849 13.043 ( -0.821 2.498 -0.254) 2.641 13.141 ( 0.120 1.180 0.780) 1.420 13.195 ( 0.297 0.822 -0.577) 1.047 13.270 ( -1.540 -1.360 0.778) 2.197 13.292 ( -0.734 0.111 0.380) 0.834 13.466 ( -1.710 -2.455 -0.256) 3.003 13.583 ( 0.808 1.394 0.738) 1.773 13.659 ( 0.888 -0.552 0.309) 1.090 13.828 ( -1.190 0.467 -1.265) 1.798 13.872 ( 1.795 -0.472 -0.307) 1.881 13.970 ( -1.365 0.282 0.280) 1.422 14.005 ( -0.015 -0.521 1.127) 1.242 ======================= Grid point 100 (55/102) ======================= q-point: (-0.12 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -18.616 0.604 13.201) 22.829 1.278 ( -12.040 11.701 19.152) 25.469 1.613 ( 4.514 -11.241 -0.470) 12.123 1.778 ( -0.657 -4.402 11.116) 11.974 1.936 ( -0.773 -3.812 10.006) 10.735 1.987 ( 2.477 -4.736 -1.584) 5.575 2.179 ( -2.654 8.434 12.678) 15.457 2.205 ( -2.782 6.586 7.498) 10.360 2.268 ( 4.882 4.853 1.610) 7.070 2.347 ( -3.804 3.018 1.491) 5.079 2.487 ( 1.802 -0.633 2.482) 3.132 2.558 ( 2.845 -1.313 2.819) 4.215 2.566 ( 3.250 -0.551 1.387) 3.576 2.653 ( -0.144 3.927 4.021) 5.623 2.686 ( 2.894 6.693 1.963) 7.551 2.957 ( 3.919 4.015 1.885) 5.919 3.039 ( -2.472 -1.494 0.780) 2.991 3.133 ( 3.303 0.072 -5.610) 6.510 3.229 ( 0.043 1.398 0.406) 1.457 3.265 ( 0.389 -1.453 -0.151) 1.512 3.423 ( -0.665 -1.835 -3.281) 3.818 3.573 ( -3.423 -4.397 4.899) 7.420 3.931 ( 0.948 -2.307 -1.602) 2.964 4.015 ( 3.034 -4.934 -0.895) 5.861 4.116 ( 5.056 -0.119 2.864) 5.812 4.266 ( 4.597 -3.495 8.382) 10.178 4.522 ( 0.873 1.398 -4.569) 4.857 4.772 ( -0.624 -8.572 -1.212) 8.680 4.955 ( 0.283 4.297 0.460) 4.330 5.198 ( 1.624 -0.517 -0.603) 1.808 5.212 ( -0.693 11.702 -0.316) 11.727 5.977 ( -2.471 -13.534 0.953) 13.791 6.169 ( -3.010 5.553 3.948) 7.448 6.303 ( 2.111 2.798 -1.853) 3.965 6.357 ( -3.024 3.979 1.087) 5.115 6.690 ( -0.363 -6.164 1.376) 6.326 6.852 ( -5.176 5.914 1.217) 7.953 7.121 ( -5.867 -1.684 2.922) 6.767 8.062 ( 1.676 1.577 -2.634) 3.497 8.337 ( -1.113 -6.340 -0.753) 6.481 8.533 ( -1.202 2.049 0.950) 2.559 8.676 ( -3.263 -3.284 2.295) 5.167 9.188 ( 2.175 4.719 -0.984) 5.289 9.417 ( 0.900 -1.531 -2.008) 2.681 9.428 ( -0.917 0.033 -1.378) 1.656 9.476 ( -0.090 -1.331 -1.966) 2.376 9.858 ( -1.494 -0.027 -0.558) 1.595 9.893 ( 0.152 -1.818 -1.812) 2.571 10.186 ( 3.027 5.091 -2.131) 6.294 10.399 ( 1.153 -1.311 -2.967) 3.443 11.614 ( -1.764 1.609 -0.861) 2.538 11.889 ( -0.202 -6.067 -3.308) 6.913 12.283 ( -5.106 3.672 1.358) 6.434 12.429 ( -4.485 -0.935 -0.395) 4.598 13.028 ( -0.507 2.681 -0.127) 2.731 13.131 ( -1.101 0.986 -0.893) 1.727 13.192 ( -0.141 0.905 -0.879) 1.269 13.225 ( -2.823 -0.967 -0.567) 3.038 13.276 ( -0.782 -0.569 -0.150) 0.978 13.433 ( -1.091 -2.312 -0.719) 2.656 13.600 ( 0.262 1.141 0.503) 1.275 13.670 ( -0.140 -0.763 -0.308) 0.834 13.809 ( 0.079 1.387 0.163) 1.399 13.914 ( 1.974 -1.655 0.747) 2.682 13.972 ( 0.978 1.122 1.846) 2.372 14.032 ( 1.060 -0.703 3.092) 3.344 ======================= Grid point 101 (56/102) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 13.126 17.872 8.478) 23.740 1.464 ( -0.662 6.646 11.630) 13.412 1.525 ( 3.860 -5.421 5.498) 8.632 1.715 ( -2.095 -10.349 12.150) 16.097 1.927 ( 2.771 -1.060 1.225) 3.209 1.966 ( 4.183 -4.670 0.982) 6.346 2.270 ( -1.485 2.240 1.285) 2.979 2.282 ( 0.576 1.285 -0.316) 1.443 2.388 ( -1.515 4.295 11.426) 12.300 2.452 ( -0.883 -1.597 5.289) 5.595 2.571 ( 3.564 3.693 4.666) 6.936 2.619 ( 2.884 2.569 2.539) 4.622 2.631 ( 0.870 0.268 3.544) 3.659 2.714 ( 2.033 -5.022 2.446) 5.945 2.899 ( 1.788 8.398 8.822) 12.311 2.984 ( 3.303 -0.567 2.139) 3.975 3.153 ( 0.298 4.976 -2.467) 5.562 3.206 ( 3.052 3.217 3.548) 5.679 3.257 ( 0.714 -0.845 -1.958) 2.249 3.265 ( -0.258 2.003 -1.523) 2.529 3.323 ( -1.869 -5.476 4.302) 7.210 3.377 ( -1.505 -10.776 4.293) 11.697 3.939 ( 2.807 1.685 0.256) 3.284 3.990 ( 2.537 -3.495 0.299) 4.329 4.308 ( 6.548 2.131 6.354) 9.369 4.357 ( 5.197 -3.201 8.140) 10.174 4.510 ( -2.371 2.634 -4.622) 5.825 4.586 ( -3.129 -5.916 -3.126) 7.387 5.083 ( 2.556 5.469 1.308) 6.177 5.179 ( 2.895 -4.916 1.350) 5.863 5.440 ( -1.175 13.809 -0.030) 13.859 5.690 ( -1.360 -13.704 0.315) 13.775 6.285 ( 0.141 5.314 2.663) 5.946 6.333 ( -0.540 -0.358 0.336) 0.730 6.412 ( 1.112 5.740 -1.456) 6.025 6.561 ( 0.404 -8.707 1.608) 8.864 6.884 ( -3.938 6.755 1.941) 8.056 6.988 ( -3.906 -4.221 2.491) 6.267 8.110 ( 0.223 3.349 -2.790) 4.364 8.194 ( -0.722 -5.719 -2.279) 6.198 8.559 ( -0.174 1.613 1.478) 2.195 8.596 ( -0.558 -2.548 2.046) 3.315 9.287 ( -0.667 4.998 -1.919) 5.395 9.363 ( -0.474 -3.239 -2.985) 4.431 9.412 ( -0.267 1.131 -1.136) 1.625 9.439 ( 0.041 -1.782 -1.157) 2.125 9.820 ( -1.777 0.648 -1.092) 2.184 9.839 ( -1.258 -1.482 -0.972) 2.174 10.294 ( 0.302 3.899 -3.731) 5.405 10.347 ( -0.858 -2.000 -3.976) 4.533 11.634 ( -0.663 4.116 -1.880) 4.574 11.731 ( -1.003 -6.259 -2.971) 7.000 12.264 ( -3.497 3.115 -0.355) 4.696 12.311 ( -3.631 -2.025 -1.032) 4.284 13.075 ( -0.832 2.803 -0.173) 2.929 13.108 ( -1.968 -0.059 -0.467) 2.023 13.146 ( -1.177 0.535 -1.488) 1.971 13.183 ( -0.286 -2.276 -0.745) 2.412 13.285 ( -0.251 3.428 -0.748) 3.518 13.357 ( -0.203 -3.917 -0.855) 4.014 13.618 ( -0.741 1.180 -0.137) 1.400 13.637 ( -0.952 -0.893 -0.516) 1.404 13.869 ( 1.651 2.212 0.841) 2.886 13.912 ( 1.569 -2.476 0.821) 3.044 14.042 ( 1.508 1.174 2.911) 3.483 14.062 ( 1.313 -1.014 3.391) 3.775 ======================= Grid point 102 (57/102) ======================= q-point: ( 0.12 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 2.077 13.196 7.765) 15.451 1.546 ( 10.241 9.437 7.296) 15.722 1.640 ( 2.740 -5.391 1.264) 6.178 1.739 ( 0.187 -10.122 5.036) 11.307 2.027 ( 6.366 1.470 2.207) 6.897 2.109 ( 7.546 -5.429 1.231) 9.378 2.269 ( 1.041 1.972 1.025) 2.454 2.303 ( 1.887 -1.029 -0.040) 2.150 2.413 ( -2.887 1.665 6.363) 7.183 2.441 ( -3.552 -1.398 5.169) 6.426 2.610 ( -1.502 2.627 -0.520) 3.070 2.644 ( -1.357 0.351 3.613) 3.876 2.740 ( 6.399 1.524 0.983) 6.651 2.763 ( 1.637 -0.977 3.048) 3.594 3.007 ( 1.675 10.803 8.317) 13.736 3.093 ( 3.606 0.947 0.771) 3.807 3.137 ( 1.425 2.705 -3.163) 4.399 3.195 ( -1.651 0.565 -4.183) 4.532 3.223 ( 1.814 -0.681 -5.196) 5.545 3.307 ( -0.201 -1.397 5.574) 5.750 3.332 ( -1.080 -1.463 4.134) 4.516 3.440 ( 2.027 -11.513 13.243) 17.665 3.996 ( 1.423 2.843 2.617) 4.118 4.049 ( 3.091 -3.005 1.439) 4.545 4.419 ( -3.036 2.058 -4.135) 5.527 4.437 ( 2.657 2.224 1.929) 3.966 4.471 ( -0.047 -3.378 3.905) 5.163 4.504 ( -0.987 -5.815 -2.959) 6.599 5.156 ( 3.578 5.616 0.950) 6.726 5.255 ( 3.467 -5.082 0.849) 6.210 5.424 ( -0.506 14.367 0.479) 14.384 5.681 ( 0.155 -13.923 0.842) 13.949 6.314 ( 0.694 2.763 1.548) 3.242 6.335 ( 0.689 0.080 0.228) 0.730 6.426 ( 1.162 7.628 -0.151) 7.717 6.587 ( 1.034 -8.127 1.634) 8.354 6.862 ( 0.276 6.517 2.757) 7.082 6.966 ( 0.131 -4.327 3.058) 5.300 8.087 ( -0.606 2.596 -2.660) 3.766 8.160 ( -1.016 -5.344 -2.100) 5.831 8.578 ( 1.068 1.661 1.254) 2.339 8.617 ( 1.194 -2.626 1.793) 3.397 9.239 ( -2.620 5.112 -1.705) 5.992 9.320 ( -1.834 -3.516 -2.846) 4.881 9.405 ( 0.141 1.111 -0.992) 1.497 9.431 ( -0.146 -1.616 -1.154) 1.991 9.786 ( -0.809 1.495 -0.552) 1.787 9.815 ( -0.463 -1.799 -0.312) 1.884 10.247 ( -2.735 2.549 -3.090) 4.850 10.280 ( -3.013 -1.231 -4.024) 5.175 11.622 ( 0.668 3.242 -1.301) 3.557 11.699 ( -0.239 -5.004 -2.198) 5.471 12.222 ( -0.697 2.471 0.816) 2.694 12.259 ( -1.048 -1.613 0.084) 1.925 13.054 ( -1.021 1.661 -0.205) 1.960 13.077 ( -0.819 -0.188 0.462) 0.959 13.127 ( -0.028 2.036 -0.930) 2.238 13.177 ( -0.084 -2.215 -0.565) 2.288 13.285 ( 0.710 3.272 -0.551) 3.393 13.358 ( 0.759 -4.031 -0.665) 4.156 13.599 ( -0.911 0.997 -0.120) 1.356 13.614 ( -0.897 -0.596 -0.435) 1.162 13.906 ( 1.416 1.784 0.387) 2.310 13.943 ( 0.865 -2.250 0.415) 2.446 14.081 ( 0.806 1.323 2.161) 2.659 14.104 ( 0.804 -1.084 2.527) 2.865 ======================= Grid point 103 (58/102) ======================= q-point: ( 0.25 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 5.173 9.810 5.108) 12.210 1.687 ( 3.531 -0.916 -0.213) 3.654 1.716 ( 2.100 -2.331 2.221) 3.844 1.795 ( 3.298 -7.880 3.143) 9.103 2.161 ( 2.257 2.896 -0.673) 3.733 2.208 ( 3.545 -0.516 -1.084) 3.743 2.306 ( -1.373 2.039 3.728) 4.465 2.338 ( -0.310 0.236 0.130) 0.410 2.371 ( -1.007 2.358 2.615) 3.662 2.431 ( 0.056 -4.155 7.514) 8.586 2.557 ( -2.092 2.302 -1.975) 3.685 2.607 ( -1.620 -2.937 -1.739) 3.778 2.807 ( 0.438 4.008 2.020) 4.510 2.837 ( 2.650 0.471 -0.261) 2.704 3.036 ( -1.594 6.833 -0.612) 7.043 3.079 ( -0.938 -0.024 -2.248) 2.436 3.100 ( -2.068 2.053 -1.782) 3.416 3.179 ( -4.234 -2.946 -1.271) 5.312 3.240 ( 2.805 0.876 -3.352) 4.458 3.305 ( 1.159 -3.430 -2.630) 4.475 3.442 ( 5.857 4.884 11.567) 13.855 3.585 ( 3.914 -9.208 9.238) 13.618 4.024 ( 0.047 5.446 2.007) 5.805 4.125 ( 3.097 -4.985 2.101) 6.233 4.320 ( -2.792 2.017 -6.326) 7.203 4.386 ( -3.919 -5.186 -6.306) 9.056 4.453 ( -1.277 2.653 -1.344) 3.237 4.525 ( -0.428 -4.776 1.025) 4.903 5.214 ( 1.913 5.268 -1.362) 5.768 5.304 ( 1.332 -4.408 -1.531) 4.852 5.429 ( 0.465 15.173 1.179) 15.225 5.701 ( 0.726 -14.527 1.721) 14.646 6.326 ( 0.298 2.770 0.611) 2.852 6.358 ( 1.058 -0.240 0.545) 1.214 6.460 ( 1.536 7.118 1.366) 7.409 6.611 ( 0.274 -7.973 0.791) 8.017 6.923 ( 3.070 7.176 4.238) 8.881 7.030 ( 3.350 -4.261 4.700) 7.174 8.060 ( -0.349 2.490 -1.965) 3.191 8.137 ( -0.157 -5.750 -1.046) 5.846 8.610 ( 1.454 1.985 0.603) 2.533 8.656 ( 1.644 -3.097 1.085) 3.671 9.175 ( -2.835 5.451 -0.453) 6.161 9.263 ( -2.235 -4.139 -1.313) 4.883 9.404 ( 0.508 0.871 -1.002) 1.422 9.425 ( 0.506 -1.353 -0.841) 1.672 9.784 ( 0.460 2.268 0.619) 2.396 9.818 ( 0.459 -1.617 0.955) 1.933 10.158 ( -4.095 2.044 -1.787) 4.914 10.190 ( -3.317 -1.533 -3.043) 4.755 11.645 ( 2.034 2.115 -0.158) 2.939 11.697 ( 0.942 -3.499 -0.575) 3.669 12.247 ( 1.740 1.667 3.303) 4.089 12.272 ( 1.326 -1.052 2.691) 3.179 13.046 ( 0.019 2.226 1.264) 2.560 13.081 ( 0.441 -0.899 1.755) 2.021 13.126 ( 0.382 1.976 -0.459) 2.065 13.172 ( -0.066 -1.823 -0.452) 1.880 13.305 ( 1.388 3.274 -0.131) 3.558 13.378 ( 1.489 -4.134 -0.187) 4.398 13.584 ( -0.571 1.020 0.202) 1.186 13.600 ( -0.347 -0.663 -0.026) 0.749 13.923 ( 0.342 1.046 -0.717) 1.313 13.945 ( -0.660 -1.306 -0.612) 1.586 14.102 ( 0.311 1.090 0.687) 1.325 14.122 ( -0.126 -1.004 0.794) 1.287 ======================= Grid point 104 (59/102) ======================= q-point: ( 0.38 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -0.886 3.224 1.720) 3.760 1.710 ( -2.719 -1.834 1.076) 3.452 1.778 ( 3.732 1.492 0.536) 4.055 1.872 ( 0.330 -6.045 1.724) 6.294 2.124 ( -2.158 1.991 -1.631) 3.359 2.170 ( -3.693 -2.436 -3.517) 5.652 2.303 ( 1.419 3.533 -1.112) 3.967 2.338 ( -0.210 -1.258 -0.560) 1.393 2.384 ( -3.541 4.447 5.468) 7.888 2.460 ( -0.030 -3.336 2.066) 3.924 2.534 ( 0.357 3.357 -1.422) 3.663 2.594 ( 0.144 -3.084 -2.038) 3.700 2.827 ( 2.126 5.168 2.377) 6.073 2.877 ( 1.471 -0.531 2.090) 2.610 2.950 ( -3.745 2.312 -6.497) 7.847 2.992 ( -5.724 -1.683 -4.964) 7.761 3.075 ( -2.050 1.251 -0.305) 2.421 3.108 ( -0.862 -2.295 2.204) 3.297 3.254 ( 0.466 1.407 -3.537) 3.835 3.286 ( -0.728 -1.475 -3.654) 4.007 3.610 ( 3.794 2.268 3.933) 5.916 3.667 ( -0.070 -3.091 2.849) 4.204 4.023 ( -1.493 7.956 -0.815) 8.136 4.179 ( -0.763 -5.120 2.358) 5.688 4.257 ( -2.546 -1.669 -7.931) 8.495 4.270 ( 2.583 -2.466 -3.177) 4.780 4.382 ( -3.342 3.197 -5.684) 7.328 4.485 ( -2.669 -6.780 -2.710) 7.774 5.209 ( -0.459 4.550 -3.720) 5.895 5.285 ( -1.102 -3.549 -4.129) 5.555 5.451 ( 0.698 15.141 1.611) 15.243 5.726 ( 0.408 -14.804 2.475) 15.015 6.340 ( 0.398 3.891 1.201) 4.091 6.379 ( 0.533 0.979 0.740) 1.338 6.491 ( 0.443 3.562 1.350) 3.835 6.606 ( -0.826 -7.354 -0.132) 7.401 7.018 ( 2.831 8.226 5.507) 10.296 7.136 ( 3.220 -4.551 5.825) 8.063 8.052 ( 0.531 3.147 -1.136) 3.388 8.143 ( 1.013 -6.595 0.227) 6.676 8.643 ( 1.404 2.070 0.474) 2.546 8.692 ( 1.342 -3.444 0.813) 3.785 9.130 ( -1.558 5.551 0.448) 5.782 9.221 ( -1.413 -4.368 -0.171) 4.594 9.418 ( 1.307 1.255 -0.316) 1.839 9.445 ( 1.705 -1.724 0.180) 2.431 9.804 ( 0.701 2.457 1.336) 2.884 9.837 ( 0.355 -1.283 1.779) 2.222 10.085 ( -2.009 2.434 -0.381) 3.179 10.128 ( -0.963 -2.261 -1.447) 2.852 11.692 ( 2.229 0.972 0.814) 2.565 11.723 ( 1.348 -2.276 0.857) 2.781 12.322 ( 2.439 1.124 5.704) 6.304 12.339 ( 2.490 -0.672 5.300) 5.894 13.070 ( 1.018 2.843 2.765) 4.095 13.108 ( 0.604 0.784 1.553) 1.842 13.139 ( 0.959 -0.526 1.204) 1.627 13.170 ( 0.138 -1.694 -0.232) 1.716 13.333 ( 1.211 3.595 0.270) 3.803 13.409 ( 1.389 -4.233 0.355) 4.470 13.579 ( -0.130 1.216 0.474) 1.311 13.599 ( 0.164 -0.904 0.320) 0.973 13.911 ( -0.645 0.157 -1.715) 1.839 13.915 ( -1.319 -0.261 -1.641) 2.122 14.099 ( -0.656 0.464 -0.825) 1.152 14.108 ( -1.164 -0.507 -0.926) 1.572 ======================= Grid point 105 (60/102) ======================= q-point: (-0.50 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -9.032 1.822 5.565) 10.764 1.639 ( -5.345 -3.650 1.598) 6.667 1.814 ( -0.158 -0.117 -0.094) 0.218 1.829 ( -1.352 -2.083 -0.420) 2.519 2.039 ( -7.131 1.838 -2.055) 7.645 2.081 ( -5.187 -2.146 -3.421) 6.574 2.278 ( -3.791 2.739 -0.731) 4.734 2.305 ( -1.177 -0.330 -1.316) 1.796 2.365 ( 0.332 5.758 1.532) 5.967 2.468 ( -3.339 -2.985 0.609) 4.520 2.553 ( 5.186 -0.968 -2.104) 5.680 2.579 ( 1.319 -2.343 -2.917) 3.967 2.786 ( -6.962 1.376 -5.552) 9.010 2.806 ( -7.302 0.031 -5.950) 9.419 2.908 ( 0.639 5.148 4.641) 6.960 2.982 ( 4.306 -1.577 1.821) 4.934 3.024 ( 0.028 3.921 -4.164) 5.720 3.102 ( -0.594 -3.822 -3.601) 5.285 3.215 ( -1.644 1.725 -4.341) 4.952 3.256 ( 0.949 -2.246 -2.158) 3.256 3.630 ( -2.712 1.541 2.236) 3.838 3.646 ( -2.492 0.025 1.603) 2.964 3.920 ( -6.090 6.850 -3.912) 9.965 4.069 ( -6.643 -7.578 -3.599) 10.701 4.239 ( -3.660 2.998 -6.511) 8.049 4.293 ( -0.783 -1.515 -6.236) 6.465 4.328 ( 4.730 2.478 1.408) 5.523 4.451 ( 3.521 -8.993 -1.288) 9.743 5.160 ( -1.601 3.773 -4.298) 5.939 5.224 ( -1.634 -3.075 -5.096) 6.172 5.473 ( 0.301 15.247 1.918) 15.370 5.748 ( 0.048 -14.832 2.820) 15.098 6.350 ( -0.371 4.477 1.488) 4.732 6.386 ( -0.413 2.050 1.151) 2.387 6.492 ( -1.111 1.458 1.125) 2.151 6.584 ( -1.135 -6.907 -0.160) 7.001 7.091 ( 0.642 8.457 5.605) 10.166 7.213 ( 0.433 -4.831 5.769) 7.537 8.063 ( 1.118 4.146 -0.725) 4.355 8.173 ( 1.413 -7.486 0.824) 7.662 8.665 ( 0.139 2.165 0.701) 2.280 8.716 ( 0.325 -3.587 0.937) 3.721 9.124 ( 0.661 5.468 0.582) 5.538 9.213 ( 0.926 -4.318 0.001) 4.417 9.445 ( 1.188 1.890 0.214) 2.242 9.483 ( 1.440 -2.273 0.674) 2.774 9.827 ( 0.722 1.710 1.501) 2.387 9.852 ( -0.006 -1.056 1.937) 2.206 10.084 ( 1.841 3.529 0.208) 3.985 10.142 ( 2.959 -2.830 -0.618) 4.141 11.728 ( 0.450 0.844 1.110) 1.465 11.758 ( 1.298 -2.392 1.457) 3.087 12.403 ( 1.286 1.503 6.743) 7.027 12.426 ( 1.990 -0.980 6.456) 6.826 13.108 ( 0.488 2.746 1.387) 3.115 13.123 ( 0.598 2.269 1.894) 3.015 13.168 ( 0.699 -1.279 0.317) 1.491 13.188 ( 1.256 -2.515 2.865) 4.014 13.351 ( 0.275 3.980 0.498) 4.021 13.431 ( 0.380 -4.346 0.652) 4.411 13.584 ( 0.233 1.485 0.552) 1.601 13.609 ( 0.488 -1.132 0.460) 1.316 13.877 ( -1.031 0.310 -2.086) 2.347 13.884 ( -0.734 -0.488 -2.247) 2.414 14.066 ( -1.801 0.049 -1.559) 2.382 14.067 ( -1.982 -0.063 -1.730) 2.631 ======================= Grid point 106 (61/102) ======================= q-point: (-0.38 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -11.716 1.924 11.852) 16.775 1.510 ( -9.294 -6.484 5.727) 12.697 1.749 ( -11.745 5.495 0.428) 12.974 1.836 ( -7.003 -3.753 -1.501) 8.086 1.868 ( 0.068 -1.307 -1.610) 2.075 1.881 ( -5.168 -2.519 -2.632) 6.323 2.224 ( -0.932 3.959 -1.479) 4.328 2.283 ( 0.558 -2.250 -1.879) 2.984 2.354 ( -1.974 4.428 -1.117) 4.975 2.418 ( -1.443 -2.610 0.574) 3.037 2.555 ( -4.514 1.396 1.738) 5.035 2.600 ( -4.141 -2.948 -0.744) 5.137 2.653 ( -1.445 2.760 -4.525) 5.494 2.686 ( 2.811 -1.156 -3.350) 4.524 2.898 ( -0.761 6.418 -5.145) 8.261 2.968 ( 0.167 0.923 -3.389) 3.516 3.047 ( -2.035 0.494 -3.286) 3.897 3.089 ( 0.836 -2.784 0.343) 2.928 3.196 ( 3.817 5.430 -2.968) 7.271 3.290 ( 2.156 -4.223 0.369) 4.756 3.550 ( -7.901 4.507 3.547) 9.763 3.601 ( -3.739 -0.211 3.148) 4.892 3.816 ( -0.838 2.436 -1.145) 2.819 3.929 ( -4.536 -9.112 -1.992) 10.372 4.106 ( -3.998 3.767 -6.410) 8.442 4.182 ( -4.341 -4.057 -4.810) 7.644 4.460 ( 6.186 3.632 0.239) 7.177 4.555 ( 5.508 -6.973 -0.034) 8.886 5.100 ( -1.693 3.922 -3.293) 5.394 5.167 ( -0.902 -3.219 -4.189) 5.359 5.487 ( -0.212 15.257 1.727) 15.355 5.762 ( -0.559 -14.864 2.464) 15.077 6.344 ( -1.225 4.743 1.521) 5.130 6.379 ( -1.219 3.160 1.722) 3.800 6.465 ( -2.092 0.713 0.710) 2.321 6.561 ( -1.173 -7.385 0.221) 7.481 7.111 ( -2.205 7.751 4.774) 9.366 7.223 ( -2.991 -4.517 5.005) 7.376 8.083 ( 1.306 4.800 -0.938) 5.062 8.202 ( 1.005 -7.925 0.431) 8.000 8.650 ( -2.011 2.585 0.713) 3.352 8.708 ( -1.845 -3.870 0.929) 4.387 9.165 ( 3.048 5.727 0.284) 6.494 9.259 ( 3.433 -4.490 -0.229) 5.657 9.460 ( 0.239 1.984 -0.117) 2.002 9.500 ( -0.102 -2.304 0.031) 2.307 9.852 ( 0.825 0.709 1.129) 1.568 9.866 ( 0.149 -0.784 1.683) 1.862 10.147 ( 4.240 4.744 -0.591) 6.390 10.223 ( 5.217 -3.463 -1.125) 6.362 11.727 ( -1.052 2.126 0.761) 2.490 11.784 ( 0.472 -4.050 0.866) 4.168 12.448 ( -1.113 2.391 5.762) 6.337 12.485 ( -0.341 -1.543 5.395) 5.621 13.109 ( -0.289 2.917 -0.072) 2.933 13.146 ( 0.125 0.013 1.428) 1.433 13.189 ( 0.918 0.708 0.838) 1.431 13.228 ( 0.567 -2.626 2.641) 3.767 13.349 ( -0.750 4.044 0.448) 4.138 13.429 ( -0.906 -4.321 0.471) 4.440 13.596 ( 0.582 1.732 0.576) 1.915 13.624 ( 0.732 -1.259 0.476) 1.532 13.852 ( -0.149 0.293 -1.744) 1.774 13.860 ( -0.218 -0.461 -1.930) 1.996 14.014 ( -2.177 0.160 -1.061) 2.427 14.018 ( -1.853 -0.225 -1.074) 2.154 ======================= Grid point 107 (62/102) ======================= q-point: (-0.25 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -16.341 2.895 9.386) 19.065 1.367 ( -7.703 -9.882 3.502) 13.010 1.494 ( -11.291 7.195 13.806) 19.232 1.636 ( -7.804 -8.066 8.638) 14.163 1.893 ( 2.278 -0.054 -1.266) 2.606 1.908 ( 1.577 -1.969 -1.474) 2.922 2.230 ( 1.986 4.910 0.173) 5.299 2.305 ( 0.633 0.683 -0.810) 1.234 2.322 ( 1.398 -0.305 0.600) 1.552 2.382 ( -2.565 -2.488 1.194) 3.768 2.487 ( -1.637 1.585 3.275) 3.990 2.526 ( -2.662 -2.243 1.615) 3.837 2.637 ( -2.579 8.868 1.413) 9.342 2.702 ( 0.152 1.169 -2.266) 2.554 2.855 ( -0.686 7.805 -1.701) 8.017 2.981 ( 0.774 -5.645 -3.515) 6.695 2.996 ( 0.396 5.741 1.276) 5.894 3.094 ( 1.124 -3.968 1.397) 4.354 3.245 ( 0.517 7.536 -2.473) 7.948 3.319 ( 0.648 0.176 -0.791) 1.038 3.417 ( -4.265 -0.158 -0.457) 4.292 3.514 ( -7.357 -7.561 4.817) 11.597 3.858 ( 3.935 -0.195 0.265) 3.949 3.900 ( 1.752 -5.822 -2.363) 6.523 4.033 ( 0.457 3.114 -1.017) 3.308 4.107 ( -0.846 -4.382 1.018) 4.578 4.553 ( 3.155 3.651 -1.054) 4.940 4.637 ( 2.677 -5.764 -0.685) 6.392 5.056 ( -0.996 4.714 -1.598) 5.076 5.135 ( -0.151 -3.805 -2.255) 4.425 5.485 ( -0.840 14.844 0.933) 14.897 5.754 ( -1.547 -14.643 1.553) 14.806 6.319 ( -2.333 5.303 1.753) 6.053 6.366 ( -1.177 3.154 1.708) 3.775 6.426 ( -1.845 1.329 -0.108) 2.276 6.546 ( -0.574 -8.406 0.789) 8.463 7.067 ( -4.854 6.907 3.520) 9.146 7.167 ( -5.431 -3.967 3.963) 7.806 8.101 ( 1.349 4.767 -1.597) 5.205 8.216 ( 0.466 -7.559 -0.564) 7.594 8.606 ( -2.603 2.572 0.856) 3.758 8.663 ( -3.067 -3.719 1.136) 4.952 9.234 ( 3.538 5.741 -0.395) 6.756 9.327 ( 3.377 -4.353 -0.766) 5.563 9.453 ( -0.472 1.319 -0.941) 1.688 9.482 ( -1.176 -1.746 -1.157) 2.402 9.869 ( 0.203 0.031 0.390) 0.440 9.875 ( -0.190 -0.590 0.830) 1.036 10.227 ( 4.419 5.443 -2.103) 7.320 10.312 ( 4.519 -3.748 -2.326) 6.315 11.701 ( -1.553 3.510 -0.255) 3.846 11.787 ( -0.231 -5.729 -0.599) 5.765 12.428 ( -3.786 3.148 3.150) 5.845 12.475 ( -3.231 -1.968 2.656) 4.622 13.100 ( -0.515 3.422 -0.038) 3.461 13.151 ( -0.225 -1.321 0.629) 1.480 13.201 ( -0.137 1.033 -0.108) 1.048 13.236 ( -0.964 -2.220 0.846) 2.564 13.329 ( -1.303 3.721 -0.010) 3.943 13.405 ( -1.522 -4.078 -0.119) 4.354 13.613 ( 0.672 1.747 0.596) 1.964 13.642 ( 0.691 -1.334 0.406) 1.557 13.841 ( -0.090 0.929 -1.023) 1.385 13.859 ( 0.958 -0.917 -0.746) 1.521 13.979 ( -0.876 0.645 0.606) 1.246 13.992 ( -0.383 -0.774 0.879) 1.232 ======================= Grid point 108 (63/102) ======================= q-point: (-0.12 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -4.758 14.080 8.224) 16.986 1.328 ( 2.963 -14.969 3.788) 15.723 1.483 ( -4.557 7.636 20.362) 22.219 1.644 ( -1.712 -8.917 16.935) 19.216 1.904 ( -0.069 -0.184 -0.498) 0.535 1.924 ( 1.153 -2.256 -0.862) 2.676 2.263 ( 0.935 3.645 0.496) 3.796 2.300 ( -2.243 0.588 2.489) 3.402 2.363 ( 0.679 3.534 4.745) 5.955 2.411 ( 1.451 -1.466 3.859) 4.376 2.491 ( -1.329 4.487 6.472) 7.987 2.542 ( 3.082 -1.688 4.760) 5.917 2.590 ( -0.868 5.930 2.062) 6.338 2.686 ( -0.381 -1.546 -0.104) 1.596 2.848 ( -0.671 8.626 4.018) 9.540 2.960 ( -0.674 -4.283 -0.322) 4.348 3.072 ( 4.856 5.608 3.250) 8.100 3.168 ( 2.772 -2.032 3.941) 5.229 3.203 ( -0.639 4.760 -1.354) 4.989 3.303 ( -0.625 3.817 -3.755) 5.391 3.373 ( -1.031 -3.799 -3.155) 5.045 3.413 ( -5.417 -12.534 5.156) 14.596 3.902 ( 1.668 0.150 -2.879) 3.331 3.937 ( 3.493 -3.357 -2.006) 5.244 4.129 ( 6.403 2.031 5.604) 8.748 4.190 ( 5.433 -4.289 7.408) 10.138 4.566 ( -0.470 3.394 -2.709) 4.369 4.646 ( -0.942 -5.476 -1.763) 5.829 5.046 ( 0.603 5.249 0.194) 5.287 5.135 ( 1.047 -4.341 -0.005) 4.466 5.466 ( -1.345 14.180 0.104) 14.244 5.724 ( -2.103 -14.117 0.629) 14.287 6.287 ( -1.883 5.963 2.223) 6.637 6.350 ( -1.497 -0.155 1.297) 1.987 6.404 ( 0.259 4.788 -1.205) 4.944 6.548 ( 0.001 -8.996 1.290) 9.088 6.975 ( -5.944 6.675 2.314) 9.233 7.073 ( -5.959 -3.896 2.962) 7.711 8.113 ( 1.101 4.195 -2.340) 4.928 8.214 ( 0.016 -6.631 -1.611) 6.824 8.569 ( -1.679 2.048 1.200) 2.908 8.614 ( -2.463 -3.066 1.646) 4.263 9.285 ( 1.873 5.357 -1.201) 5.800 9.370 ( 1.491 -3.727 -1.611) 4.326 9.433 ( -0.722 0.625 -1.524) 1.798 9.451 ( -0.598 -1.276 -1.636) 2.159 9.858 ( -1.266 0.102 -0.436) 1.343 9.867 ( -0.851 -0.943 -0.478) 1.357 10.284 ( 2.928 5.113 -3.336) 6.771 10.360 ( 2.037 -3.132 -3.382) 5.040 11.666 ( -1.353 4.286 -1.412) 4.711 11.768 ( -0.792 -6.595 -2.258) 7.015 12.351 ( -4.855 3.401 0.575) 5.956 12.401 ( -4.668 -2.148 -0.014) 5.138 13.089 ( -0.593 3.674 0.036) 3.722 13.142 ( -1.096 -1.043 0.133) 1.519 13.182 ( -1.145 -0.087 -1.289) 1.726 13.206 ( -1.603 -1.645 -0.756) 2.419 13.303 ( -1.026 3.509 -0.544) 3.696 13.375 ( -1.054 -3.907 -0.657) 4.099 13.625 ( 0.061 1.488 0.294) 1.518 13.651 ( -0.101 -1.307 -0.013) 1.311 13.841 ( 0.626 2.072 0.077) 2.166 13.880 ( 1.272 -2.080 0.249) 2.451 13.993 ( 1.169 1.183 2.426) 2.942 14.015 ( 1.131 -1.101 2.835) 3.245 ======================= Grid point 125 (64/102) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 3.365 0.000 11.192) 11.687 1.250 ( -4.149 0.000 11.749) 12.460 1.731 ( 0.934 0.000 -0.631) 1.127 2.011 ( -0.732 0.000 -0.309) 0.795 2.025 ( 0.896 0.000 -3.316) 3.435 2.089 ( 0.240 0.000 -0.656) 0.699 2.184 ( 4.975 0.000 3.215) 5.923 2.388 ( 0.328 0.000 -2.296) 2.319 2.397 ( 2.181 0.000 9.655) 9.898 2.503 ( -2.006 0.000 2.804) 3.448 2.677 ( 3.833 0.000 -0.982) 3.956 2.736 ( 2.619 0.000 1.251) 2.902 2.753 ( -1.129 0.000 4.135) 4.287 2.788 ( 2.024 0.000 -0.513) 2.088 2.826 ( -3.161 0.000 16.850) 17.144 2.954 ( -3.835 0.000 -0.234) 3.843 3.023 ( 0.713 0.000 -1.952) 2.079 3.038 ( 8.003 0.000 -6.926) 10.583 3.211 ( 0.086 0.000 1.814) 1.816 3.415 ( 1.776 0.000 10.262) 10.415 3.438 ( 0.657 0.000 1.895) 2.005 3.689 ( 1.367 0.000 3.173) 3.455 4.064 ( -1.062 0.000 5.232) 5.339 4.135 ( 1.357 0.000 2.562) 2.899 4.288 ( 4.946 0.000 0.470) 4.969 4.295 ( 0.026 0.000 -9.704) 9.704 4.622 ( 2.363 0.000 7.603) 7.961 4.843 ( -2.572 0.000 -3.737) 4.536 4.963 ( 2.248 0.000 1.787) 2.871 5.012 ( -0.460 0.000 1.288) 1.367 5.296 ( 3.097 0.000 0.173) 3.102 6.162 ( -1.010 0.000 0.206) 1.031 6.202 ( 1.564 0.000 2.669) 3.093 6.211 ( -3.215 0.000 1.744) 3.657 6.292 ( 2.029 0.000 0.235) 2.043 6.623 ( -3.565 0.000 -1.988) 4.081 6.850 ( 0.799 0.000 2.431) 2.558 7.093 ( -2.611 0.000 0.967) 2.784 8.013 ( 0.797 0.000 -1.784) 1.954 8.326 ( -1.607 0.000 -1.784) 2.401 8.531 ( 0.510 0.000 0.769) 0.923 8.745 ( -0.818 0.000 2.748) 2.867 9.120 ( -0.595 0.000 -1.154) 1.298 9.308 ( -0.377 0.000 -3.685) 3.705 9.400 ( -0.463 0.000 -0.373) 0.594 9.465 ( 0.323 0.000 -1.006) 1.056 9.776 ( -2.658 0.000 -1.048) 2.858 9.838 ( 0.596 0.000 -2.404) 2.477 10.161 ( 1.243 0.000 0.556) 1.362 10.293 ( -1.669 0.000 -4.505) 4.804 11.559 ( -0.397 0.000 -0.245) 0.467 11.814 ( -1.228 0.000 -3.300) 3.521 12.189 ( -2.073 0.000 0.978) 2.292 12.313 ( -2.604 0.000 -1.373) 2.944 12.996 ( 0.167 0.000 -0.119) 0.205 13.049 ( -1.360 0.000 -1.215) 1.824 13.145 ( -0.179 0.000 -0.780) 0.800 13.159 ( -1.569 0.000 -0.487) 1.643 13.276 ( -0.114 0.000 -0.033) 0.119 13.421 ( -0.033 0.000 -0.657) 0.658 13.584 ( -0.377 0.000 -0.429) 0.571 13.638 ( -1.021 0.000 -0.384) 1.091 13.847 ( 1.345 0.000 0.871) 1.602 14.022 ( 1.049 0.000 1.575) 1.892 14.023 ( 1.088 0.000 0.891) 1.406 14.149 ( 0.724 0.000 2.443) 2.548 ======================= Grid point 126 (65/102) ======================= q-point: ( 0.12 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 4.655 0.000 10.868) 11.823 1.479 ( 22.728 0.000 3.984) 23.074 1.730 ( 0.135 0.000 -0.620) 0.634 1.994 ( -0.633 0.000 -0.546) 0.835 2.029 ( 1.388 0.000 -2.772) 3.101 2.124 ( 3.276 0.000 -0.115) 3.278 2.251 ( -0.675 0.000 -1.035) 1.236 2.357 ( -0.240 0.000 -2.952) 2.962 2.432 ( -5.534 0.000 2.290) 5.990 2.497 ( 1.990 0.000 6.720) 7.009 2.656 ( -3.130 0.000 -4.907) 5.820 2.658 ( -7.126 0.000 -1.037) 7.201 2.741 ( -4.402 0.000 -2.911) 5.277 2.804 ( 3.409 0.000 2.583) 4.277 2.855 ( -3.259 0.000 11.620) 12.069 2.985 ( 5.002 0.000 -0.976) 5.096 3.022 ( 0.939 0.000 -2.899) 3.047 3.164 ( 6.876 0.000 -6.559) 9.503 3.241 ( 1.998 0.000 1.003) 2.236 3.395 ( -4.642 0.000 -0.737) 4.700 3.524 ( 0.546 0.000 11.094) 11.107 3.749 ( 2.855 0.000 0.673) 2.933 4.023 ( -5.687 0.000 3.277) 6.563 4.169 ( 1.341 0.000 -0.984) 1.663 4.234 ( -0.602 0.000 -6.466) 6.493 4.346 ( 1.031 0.000 -3.453) 3.603 4.670 ( -1.331 0.000 2.644) 2.960 4.793 ( -0.472 0.000 -0.633) 0.789 4.972 ( -3.438 0.000 0.976) 3.574 5.016 ( 2.238 0.000 -0.666) 2.335 5.338 ( 1.613 0.000 -2.604) 3.063 6.157 ( -0.994 0.000 1.854) 2.103 6.162 ( 0.479 0.000 1.271) 1.358 6.286 ( 0.304 0.000 -1.310) 1.344 6.333 ( 4.506 0.000 2.901) 5.359 6.619 ( 3.119 0.000 1.504) 3.462 6.862 ( -0.941 0.000 0.812) 1.243 7.095 ( 1.679 0.000 3.009) 3.446 8.008 ( -0.025 0.000 -1.874) 1.874 8.307 ( 0.304 0.000 0.226) 0.379 8.545 ( 0.695 0.000 0.013) 0.695 8.765 ( 0.966 0.000 2.457) 2.640 9.081 ( -2.633 0.000 -0.150) 2.637 9.291 ( 0.564 0.000 -2.270) 2.339 9.399 ( 0.306 0.000 0.321) 0.443 9.458 ( -0.234 0.000 -1.017) 1.043 9.728 ( -1.764 0.000 0.521) 1.839 9.845 ( 1.111 0.000 -0.837) 1.391 10.173 ( -0.903 0.000 1.454) 1.712 10.216 ( -2.930 0.000 -3.837) 4.828 11.572 ( 1.715 0.000 0.306) 1.742 11.785 ( -0.198 0.000 -0.884) 0.906 12.201 ( 1.992 0.000 2.763) 3.406 12.297 ( 0.929 0.000 1.549) 1.806 13.004 ( 0.744 0.000 -0.253) 0.786 13.023 ( -0.822 0.000 0.439) 0.932 13.141 ( 0.159 0.000 -0.352) 0.386 13.156 ( 0.858 0.000 1.224) 1.495 13.279 ( 0.331 0.000 0.071) 0.339 13.430 ( 1.246 0.000 -0.359) 1.297 13.574 ( -0.410 0.000 0.056) 0.414 13.620 ( -0.739 0.000 0.466) 0.874 13.871 ( 0.939 0.000 -0.608) 1.119 14.016 ( -1.795 0.000 -0.374) 1.834 14.052 ( 1.272 0.000 0.184) 1.285 14.164 ( -0.382 0.000 0.838) 0.921 ======================= Grid point 127 (66/102) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 6.054 0.000 8.309) 10.281 1.694 ( 1.149 0.000 -1.945) 2.259 1.942 ( 10.190 0.000 -2.615) 10.520 2.003 ( 6.577 0.000 1.204) 6.686 2.038 ( 1.041 0.000 -2.328) 2.550 2.167 ( -1.434 0.000 -6.203) 6.366 2.184 ( 2.387 0.000 2.156) 3.217 2.304 ( -5.496 0.000 0.392) 5.510 2.396 ( 0.664 0.000 0.312) 0.733 2.479 ( -4.787 0.000 -5.358) 7.185 2.532 ( -5.042 0.000 0.730) 5.094 2.616 ( 0.496 0.000 3.892) 3.924 2.618 ( -4.815 0.000 -5.345) 7.194 2.870 ( 1.586 0.000 1.407) 2.120 2.882 ( 0.631 0.000 6.812) 6.841 3.029 ( 1.827 0.000 -2.947) 3.467 3.054 ( 2.970 0.000 -3.783) 4.810 3.182 ( -0.804 0.000 -7.633) 7.675 3.257 ( -7.612 0.000 -0.097) 7.613 3.283 ( 0.791 0.000 -0.384) 0.879 3.585 ( 1.624 0.000 2.755) 3.198 3.786 ( 0.717 0.000 -1.838) 1.973 3.901 ( -6.557 0.000 -0.467) 6.573 4.148 ( -2.025 0.000 -4.134) 4.603 4.218 ( 2.182 0.000 -1.763) 2.805 4.257 ( -6.484 0.000 -6.733) 9.347 4.610 ( -4.229 0.000 -2.608) 4.969 4.809 ( 0.862 0.000 2.380) 2.531 4.924 ( -1.198 0.000 0.624) 1.351 5.046 ( 1.796 0.000 -2.477) 3.059 5.319 ( -0.903 0.000 -5.253) 5.330 6.190 ( 0.766 0.000 2.486) 2.601 6.190 ( 2.596 0.000 1.870) 3.199 6.262 ( -0.752 0.000 -0.869) 1.149 6.448 ( 4.185 0.000 2.273) 4.762 6.721 ( 4.525 0.000 3.512) 5.728 6.828 ( -2.095 0.000 -0.787) 2.239 7.186 ( 4.481 0.000 4.481) 6.337 7.993 ( -0.113 0.000 -1.698) 1.701 8.335 ( 1.403 0.000 2.317) 2.709 8.565 ( 1.563 0.000 -0.217) 1.578 8.811 ( 2.145 0.000 1.900) 2.866 9.021 ( -3.424 0.000 0.644) 3.484 9.296 ( 0.636 0.000 -0.442) 0.775 9.406 ( -0.425 0.000 0.520) 0.671 9.458 ( 1.358 0.000 -0.490) 1.444 9.720 ( 0.147 0.000 1.938) 1.943 9.867 ( 1.037 0.000 0.749) 1.279 10.127 ( -3.955 0.000 1.107) 4.107 10.158 ( -1.235 0.000 -1.660) 2.069 11.629 ( 3.499 0.000 0.883) 3.609 11.794 ( 0.787 0.000 1.393) 1.600 12.294 ( 4.576 0.000 4.590) 6.481 12.361 ( 3.143 0.000 4.537) 5.519 13.020 ( 0.995 0.000 -0.377) 1.064 13.027 ( 0.383 0.000 2.055) 2.090 13.147 ( 0.444 0.000 0.086) 0.452 13.200 ( 1.990 0.000 2.657) 3.320 13.288 ( 0.466 0.000 0.094) 0.475 13.464 ( 2.213 0.000 0.148) 2.218 13.568 ( -0.537 0.000 0.530) 0.754 13.615 ( -0.159 0.000 0.761) 0.777 13.876 ( 0.428 0.000 -1.784) 1.834 13.958 ( -3.094 0.000 -1.343) 3.373 14.070 ( 0.731 0.000 -1.154) 1.366 14.142 ( -1.775 0.000 -0.904) 1.992 ======================= Grid point 128 (67/102) ======================= q-point: ( 0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 0.865 0.000 3.781) 3.879 1.716 ( 1.890 0.000 -0.786) 2.047 1.961 ( 0.247 0.000 -0.927) 0.960 2.039 ( -0.144 0.000 -0.768) 0.782 2.087 ( -1.807 0.000 1.116) 2.124 2.163 ( -6.640 0.000 -6.921) 9.592 2.178 ( 3.214 0.000 -2.775) 4.247 2.204 ( -3.321 0.000 0.253) 3.331 2.387 ( -1.220 0.000 -3.036) 3.272 2.460 ( -3.117 0.000 1.547) 3.480 2.461 ( 3.304 0.000 2.038) 3.882 2.518 ( 0.397 0.000 -6.962) 6.973 2.650 ( 2.396 0.000 1.578) 2.869 2.866 ( -2.878 0.000 -4.246) 5.129 2.913 ( -1.490 0.000 2.436) 2.855 3.022 ( -7.061 0.000 -2.261) 7.415 3.030 ( -2.101 0.000 1.926) 2.850 3.065 ( -0.164 0.000 -13.767) 13.768 3.197 ( 2.668 0.000 0.159) 2.673 3.258 ( -2.550 0.000 3.295) 4.167 3.636 ( 2.944 0.000 -3.718) 4.742 3.729 ( -5.232 0.000 0.940) 5.316 3.811 ( -1.196 0.000 -4.139) 4.309 4.060 ( -6.825 0.000 -7.350) 10.030 4.073 ( -0.900 0.000 -7.465) 7.519 4.269 ( 2.089 0.000 2.924) 3.594 4.482 ( -5.794 0.000 -4.772) 7.506 4.846 ( 1.203 0.000 2.608) 2.871 4.930 ( 0.908 0.000 0.424) 1.002 5.054 ( 0.647 0.000 -2.521) 2.603 5.244 ( -2.322 0.000 -6.258) 6.675 6.216 ( -0.001 0.000 3.151) 3.151 6.250 ( -0.244 0.000 -0.379) 0.451 6.261 ( 2.597 0.000 2.398) 3.535 6.514 ( 1.149 0.000 1.701) 2.053 6.781 ( -1.853 0.000 -0.864) 2.045 6.823 ( 3.298 0.000 3.361) 4.709 7.304 ( 3.892 0.000 4.278) 5.783 7.983 ( 0.135 0.000 -1.454) 1.460 8.385 ( 1.678 0.000 3.146) 3.566 8.604 ( 2.078 0.000 0.204) 2.088 8.870 ( 2.408 0.000 1.730) 2.965 8.962 ( -2.694 0.000 0.607) 2.761 9.296 ( -0.704 0.000 0.009) 0.704 9.398 ( -0.031 0.000 0.138) 0.142 9.506 ( 2.918 0.000 0.677) 2.995 9.753 ( 1.554 0.000 2.284) 2.763 9.892 ( 0.651 0.000 1.509) 1.644 10.064 ( -3.437 0.000 2.244) 4.105 10.132 ( 0.225 0.000 -2.042) 2.054 11.708 ( 3.337 0.000 1.047) 3.498 11.826 ( 1.039 0.000 2.388) 2.605 12.419 ( 3.954 0.000 5.600) 6.855 12.462 ( 3.310 0.000 5.695) 6.587 13.035 ( 0.741 0.000 -0.397) 0.841 13.061 ( 1.245 0.000 2.760) 3.028 13.158 ( 0.530 0.000 0.252) 0.587 13.258 ( 1.872 0.000 2.874) 3.430 13.296 ( 0.248 0.000 0.142) 0.286 13.511 ( 2.015 0.000 0.583) 2.097 13.559 ( -0.682 0.000 0.502) 0.847 13.621 ( 0.293 0.000 0.570) 0.641 13.868 ( 0.087 0.000 -2.096) 2.098 13.889 ( -2.595 0.000 -1.653) 3.077 14.064 ( -0.312 0.000 -1.724) 1.752 14.090 ( -2.391 0.000 -1.773) 2.976 ======================= Grid point 129 (68/102) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -2.272 0.000 2.249) 3.197 1.737 ( -0.119 0.000 1.238) 1.244 1.914 ( -7.845 0.000 -1.093) 7.920 2.010 ( -3.474 0.000 -0.196) 3.480 2.030 ( 0.091 0.000 0.862) 0.867 2.038 ( -0.569 0.000 0.146) 0.588 2.125 ( -5.164 0.000 2.843) 5.895 2.203 ( -0.999 0.000 -1.171) 1.539 2.278 ( -5.515 0.000 -3.093) 6.323 2.464 ( 2.045 0.000 -7.001) 7.293 2.494 ( -0.741 0.000 4.955) 5.010 2.590 ( 10.278 0.000 -1.934) 10.459 2.682 ( -4.143 0.000 -4.180) 5.885 2.716 ( -2.941 0.000 -3.806) 4.810 2.832 ( -7.472 0.000 -2.593) 7.909 2.945 ( 1.387 0.000 4.912) 5.105 2.986 ( 0.815 0.000 -13.013) 13.038 3.009 ( -1.559 0.000 3.286) 3.637 3.123 ( -5.720 0.000 -0.764) 5.770 3.356 ( 3.922 0.000 4.136) 5.700 3.593 ( -5.829 0.000 -2.263) 6.253 3.646 ( -4.223 0.000 2.966) 5.161 3.785 ( 1.125 0.000 -1.245) 1.678 3.931 ( -1.769 0.000 -6.533) 6.768 4.046 ( 3.636 0.000 -8.331) 9.090 4.295 ( -2.071 0.000 -2.956) 3.609 4.374 ( -1.337 0.000 2.661) 2.978 4.891 ( 2.057 0.000 1.392) 2.484 4.948 ( 0.498 0.000 0.025) 0.499 5.038 ( -1.039 0.000 -1.305) 1.667 5.168 ( -1.021 0.000 -5.266) 5.364 6.233 ( -0.342 0.000 3.056) 3.075 6.239 ( -0.962 0.000 0.336) 1.019 6.308 ( 0.205 0.000 2.237) 2.247 6.522 ( -1.292 0.000 1.710) 2.143 6.750 ( -0.856 0.000 -0.111) 0.864 6.891 ( 1.651 0.000 1.858) 2.486 7.376 ( 0.568 0.000 3.138) 3.189 7.979 ( 0.381 0.000 -1.330) 1.384 8.433 ( 1.136 0.000 2.384) 2.641 8.629 ( -0.330 0.000 0.508) 0.606 8.910 ( -0.027 0.000 1.532) 1.532 8.940 ( 0.576 0.000 0.147) 0.594 9.288 ( 0.858 0.000 -0.549) 1.019 9.406 ( 0.470 0.000 0.066) 0.475 9.556 ( 1.123 0.000 0.369) 1.182 9.800 ( 1.851 0.000 1.195) 2.203 9.909 ( 0.098 0.000 1.401) 1.405 10.028 ( -1.467 0.000 2.174) 2.623 10.154 ( 3.704 0.000 -2.898) 4.703 11.749 ( -0.257 0.000 0.994) 1.026 11.868 ( 1.825 0.000 1.521) 2.376 12.496 ( -0.084 0.000 5.223) 5.224 12.553 ( 2.052 0.000 4.209) 4.683 13.041 ( 0.033 0.000 -0.328) 0.329 13.103 ( 1.216 0.000 2.036) 2.372 13.169 ( 0.408 0.000 0.059) 0.412 13.296 ( 0.225 0.000 0.138) 0.264 13.308 ( 0.824 0.000 2.027) 2.188 13.540 ( 0.269 0.000 0.460) 0.533 13.551 ( -0.186 0.000 0.316) 0.366 13.632 ( 0.520 0.000 0.188) 0.553 13.843 ( -0.966 0.000 -1.128) 1.485 13.853 ( -0.330 0.000 -1.675) 1.708 14.038 ( -1.590 0.000 -1.036) 1.898 14.038 ( -1.263 0.000 -1.135) 1.698 ======================= Grid point 130 (69/102) ======================= q-point: (-0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( -2.465 0.000 3.226) 4.060 1.704 ( -5.001 0.000 0.036) 5.001 1.788 ( -4.494 0.000 8.419) 9.544 1.931 ( -4.425 0.000 3.098) 5.401 1.982 ( -10.626 0.000 5.983) 12.195 2.060 ( 0.866 0.000 0.583) 1.044 2.066 ( 1.006 0.000 -0.416) 1.088 2.146 ( -2.060 0.000 -1.195) 2.381 2.256 ( 4.682 0.000 -0.472) 4.706 2.459 ( 1.729 0.000 -4.795) 5.097 2.525 ( -0.566 0.000 3.510) 3.556 2.530 ( -5.010 0.000 -0.124) 5.011 2.677 ( -3.496 0.000 2.987) 4.598 2.682 ( -1.354 0.000 0.549) 1.461 2.827 ( 9.357 0.000 -9.233) 13.146 2.884 ( -10.582 0.000 12.982) 16.749 2.971 ( 4.853 0.000 -4.229) 6.437 2.998 ( -6.151 0.000 4.019) 7.348 3.113 ( 6.456 0.000 -0.365) 6.466 3.393 ( -2.727 0.000 0.091) 2.728 3.431 ( -5.448 0.000 -3.161) 6.299 3.613 ( -1.020 0.000 3.866) 3.998 3.833 ( 2.790 0.000 -1.615) 3.224 3.903 ( 2.890 0.000 -1.328) 3.181 4.075 ( 2.777 0.000 -5.922) 6.541 4.247 ( 0.282 0.000 2.703) 2.718 4.396 ( 0.710 0.000 0.102) 0.717 4.938 ( 2.117 0.000 -0.726) 2.238 4.946 ( -0.585 0.000 -0.267) 0.643 5.000 ( -2.123 0.000 0.106) 2.126 5.146 ( 1.344 0.000 -2.748) 3.059 6.218 ( -1.327 0.000 0.520) 1.425 6.241 ( -0.665 0.000 2.165) 2.265 6.292 ( -2.933 0.000 1.863) 3.475 6.492 ( -3.045 0.000 2.254) 3.788 6.748 ( 0.338 0.000 0.758) 0.830 6.908 ( -0.664 0.000 -0.099) 0.671 7.363 ( -3.408 0.000 1.771) 3.841 7.981 ( 0.698 0.000 -1.346) 1.517 8.454 ( -0.110 0.000 0.664) 0.673 8.597 ( -2.798 0.000 0.565) 2.854 8.883 ( -3.241 0.000 1.203) 3.457 8.985 ( 3.652 0.000 -0.401) 3.674 9.328 ( 3.198 0.000 -1.156) 3.401 9.412 ( 0.333 0.000 -0.376) 0.502 9.544 ( -1.883 0.000 -0.955) 2.112 9.834 ( 1.377 0.000 -0.890) 1.639 9.912 ( -0.590 0.000 0.729) 0.937 10.037 ( 1.100 0.000 1.273) 1.683 10.230 ( 5.700 0.000 -3.828) 6.866 11.718 ( -3.056 0.000 0.626) 3.119 11.904 ( 1.178 0.000 -0.636) 1.339 12.481 ( -4.059 0.000 3.139) 5.132 12.579 ( -1.452 0.000 1.313) 1.957 13.032 ( -0.699 0.000 -0.247) 0.742 13.127 ( 0.358 0.000 0.249) 0.436 13.173 ( 0.115 0.000 -0.358) 0.376 13.294 ( -0.348 0.000 -0.104) 0.364 13.324 ( -0.365 0.000 0.524) 0.639 13.525 ( -1.753 0.000 -0.035) 1.753 13.560 ( 0.767 0.000 0.452) 0.891 13.645 ( 0.805 0.000 -0.198) 0.829 13.833 ( -0.866 0.000 -0.903) 1.251 13.842 ( 1.255 0.000 0.173) 1.267 14.006 ( -1.527 0.000 0.349) 1.566 14.022 ( 0.161 0.000 0.938) 0.952 ======================= Grid point 131 (70/102) ======================= q-point: (-0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -9.920 0.000 7.331) 12.335 1.572 ( -12.662 0.000 6.319) 14.151 1.731 ( -6.340 0.000 5.576) 8.443 1.892 ( 1.677 0.000 3.344) 3.741 1.937 ( 2.740 0.000 6.649) 7.192 2.056 ( -1.002 0.000 -0.648) 1.194 2.060 ( -0.129 0.000 -2.994) 2.997 2.177 ( 3.902 0.000 5.848) 7.030 2.399 ( 6.756 0.000 2.680) 7.268 2.436 ( -4.285 0.000 1.275) 4.471 2.481 ( 4.456 0.000 -3.164) 5.466 2.541 ( -1.850 0.000 5.077) 5.404 2.647 ( -2.607 0.000 6.677) 7.168 2.683 ( -1.009 0.000 7.982) 8.046 2.788 ( -8.453 0.000 18.225) 20.090 2.894 ( 6.005 0.000 -11.853) 13.287 2.944 ( -1.176 0.000 5.981) 6.095 3.080 ( 3.428 0.000 1.928) 3.933 3.235 ( 4.737 0.000 1.941) 5.119 3.274 ( -4.379 0.000 -2.330) 4.960 3.385 ( 0.196 0.000 -3.814) 3.819 3.646 ( 0.916 0.000 3.117) 3.249 3.872 ( 4.243 0.000 -1.018) 4.363 4.024 ( 6.334 0.000 4.090) 7.540 4.078 ( 1.027 0.000 -2.559) 2.757 4.342 ( 3.921 0.000 9.022) 9.837 4.392 ( 0.925 0.000 -5.541) 5.617 4.925 ( -1.279 0.000 0.426) 1.348 4.954 ( 0.487 0.000 -2.854) 2.896 4.972 ( -0.651 0.000 0.790) 1.024 5.175 ( 2.267 0.000 -0.126) 2.271 6.196 ( -1.259 0.000 -0.111) 1.264 6.229 ( -1.616 0.000 0.946) 1.872 6.237 ( -2.904 0.000 2.225) 3.659 6.426 ( -5.211 0.000 2.564) 5.808 6.772 ( 1.230 0.000 1.539) 1.970 6.858 ( -3.681 0.000 -1.861) 4.125 7.277 ( -5.590 0.000 0.723) 5.636 7.989 ( 1.061 0.000 -1.505) 1.841 8.436 ( -1.601 0.000 -1.107) 1.946 8.546 ( -2.328 0.000 0.699) 2.431 8.818 ( -3.775 0.000 1.457) 4.047 9.059 ( 3.896 0.000 -0.973) 4.016 9.368 ( 1.330 0.000 -2.659) 2.973 9.423 ( 1.278 0.000 -0.268) 1.306 9.485 ( -2.699 0.000 -1.823) 3.257 9.842 ( 0.750 0.000 -2.913) 3.008 9.894 ( -1.417 0.000 -0.173) 1.427 10.077 ( 2.177 0.000 0.414) 2.216 10.306 ( 4.279 0.000 -4.593) 6.277 11.651 ( -3.535 0.000 -0.070) 3.536 11.902 ( -0.137 0.000 -2.867) 2.870 12.387 ( -6.390 0.000 0.936) 6.458 12.516 ( -4.452 0.000 -1.424) 4.675 13.014 ( -0.872 0.000 -0.133) 0.882 13.120 ( -0.690 0.000 -1.477) 1.630 13.168 ( -0.211 0.000 -0.765) 0.794 13.277 ( -1.530 0.000 -0.722) 1.692 13.301 ( -1.351 0.000 -0.481) 1.434 13.481 ( -2.277 0.000 -0.462) 2.323 13.581 ( 0.896 0.000 0.255) 0.931 13.659 ( 0.821 0.000 -0.776) 1.129 13.812 ( -0.832 0.000 0.394) 0.921 13.892 ( 3.023 0.000 1.429) 3.344 13.988 ( -0.880 0.000 1.808) 2.010 14.054 ( 1.561 0.000 2.737) 3.151 ======================= Grid point 132 (71/102) ======================= q-point: (-0.12 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -20.693 0.000 11.929) 23.885 1.347 ( -12.157 0.000 10.479) 16.050 1.706 ( 1.004 0.000 0.270) 1.040 2.029 ( 5.378 0.000 -1.084) 5.486 2.032 ( -1.167 0.000 -0.221) 1.188 2.043 ( 2.550 0.000 0.505) 2.599 2.059 ( 2.819 0.000 6.469) 7.056 2.329 ( 5.904 0.000 4.110) 7.194 2.352 ( -3.706 0.000 3.428) 5.048 2.470 ( 2.833 0.000 -1.325) 3.127 2.588 ( 2.787 0.000 5.416) 6.091 2.652 ( 9.809 0.000 1.958) 10.003 2.659 ( -0.832 0.000 8.555) 8.595 2.727 ( -0.756 0.000 9.172) 9.203 2.785 ( -4.041 0.000 16.453) 16.942 2.937 ( 6.155 0.000 -11.358) 12.918 3.000 ( 1.563 0.000 3.905) 4.206 3.082 ( -4.182 0.000 1.626) 4.487 3.209 ( -1.775 0.000 2.302) 2.906 3.325 ( 2.434 0.000 3.611) 4.355 3.394 ( 2.605 0.000 -0.889) 2.753 3.663 ( -0.467 0.000 2.655) 2.696 3.991 ( 5.140 0.000 3.605) 6.279 4.095 ( 1.076 0.000 1.474) 1.825 4.169 ( 5.372 0.000 4.058) 6.733 4.352 ( 0.360 0.000 -8.592) 8.599 4.496 ( 4.414 0.000 9.174) 10.181 4.917 ( -1.806 0.000 -4.055) 4.439 4.920 ( 0.460 0.000 1.677) 1.739 4.988 ( 1.273 0.000 1.250) 1.784 5.229 ( 2.820 0.000 1.196) 3.063 6.167 ( -0.728 0.000 0.711) 1.017 6.194 ( -2.032 0.000 0.115) 2.035 6.238 ( 0.994 0.000 2.058) 2.286 6.324 ( -6.286 0.000 1.953) 6.582 6.745 ( -5.814 0.000 -2.887) 6.491 6.811 ( 1.388 0.000 2.237) 2.633 7.170 ( -5.189 0.000 0.361) 5.201 8.002 ( 1.249 0.000 -1.680) 2.093 8.383 ( -2.412 0.000 -2.185) 3.254 8.523 ( -0.544 0.000 0.948) 1.093 8.764 ( -2.697 0.000 2.241) 3.507 9.113 ( 2.097 0.000 -1.367) 2.504 9.348 ( -0.671 0.000 -4.075) 4.130 9.423 ( -1.543 0.000 -0.432) 1.602 9.456 ( 1.164 0.000 -1.209) 1.679 9.827 ( -0.543 0.000 -3.092) 3.139 9.857 ( -1.374 0.000 -1.474) 2.015 10.123 ( 2.193 0.000 0.169) 2.199 10.330 ( 1.179 0.000 -4.820) 4.962 11.589 ( -2.331 0.000 -0.450) 2.374 11.865 ( -1.123 0.000 -4.093) 4.244 12.265 ( -5.607 0.000 0.107) 5.608 12.405 ( -4.906 0.000 -2.494) 5.503 13.000 ( -0.476 0.000 -0.066) 0.480 13.087 ( -1.252 0.000 -2.055) 2.407 13.157 ( -0.341 0.000 -0.941) 1.001 13.217 ( -3.148 0.000 -1.377) 3.436 13.283 ( -0.498 0.000 -0.157) 0.522 13.439 ( -1.339 0.000 -0.710) 1.516 13.591 ( 0.094 0.000 -0.361) 0.373 13.659 ( -0.347 0.000 -1.156) 1.207 13.816 ( 0.634 0.000 1.552) 1.676 13.968 ( 3.173 0.000 1.739) 3.618 13.996 ( 0.208 0.000 2.283) 2.293 14.107 ( 1.558 0.000 3.221) 3.578 ======================= Grid point 133 (72/102) ======================= q-point: ( 0.00 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 7.928 8.397 11.594) 16.364 1.415 ( -7.312 14.635 8.673) 18.517 1.690 ( 1.668 -4.177 0.163) 4.501 1.893 ( 0.074 -6.307 -1.968) 6.607 2.070 ( 3.747 -2.986 1.963) 5.178 2.109 ( -0.188 1.411 1.142) 1.825 2.190 ( 2.547 1.428 0.431) 2.952 2.293 ( -0.610 -4.275 1.808) 4.681 2.469 ( 0.696 2.528 1.937) 3.260 2.527 ( 0.662 3.584 2.796) 4.594 2.627 ( -0.136 -3.250 2.777) 4.277 2.673 ( 0.620 -4.082 0.927) 4.232 2.751 ( 0.997 -2.706 4.828) 5.624 2.812 ( 2.828 2.171 2.425) 4.312 2.906 ( -4.231 4.548 2.511) 6.700 2.988 ( 2.630 6.017 5.060) 8.290 3.016 ( 4.370 0.598 -4.453) 6.268 3.090 ( 0.508 3.397 -2.659) 4.344 3.207 ( -0.546 -0.466 -0.391) 0.818 3.404 ( 0.907 -2.629 0.944) 2.937 3.424 ( 1.898 0.418 12.319) 12.471 3.707 ( 0.285 0.736 6.063) 6.114 4.012 ( 0.825 -5.489 4.850) 7.371 4.082 ( 1.891 -3.479 1.977) 4.426 4.288 ( 2.958 1.083 -5.824) 6.621 4.355 ( 0.845 3.766 -3.050) 4.920 4.588 ( 2.963 -3.479 7.087) 8.432 4.689 ( -2.797 -9.464 -1.582) 9.995 5.015 ( 1.958 4.305 1.193) 4.877 5.190 ( -0.593 13.442 0.295) 13.458 5.270 ( 2.893 -2.725 0.349) 3.990 5.951 ( -1.138 -13.818 0.550) 13.876 6.258 ( 0.692 5.806 3.189) 6.660 6.300 ( 1.190 1.178 -0.422) 1.727 6.323 ( -1.603 3.278 0.229) 3.656 6.668 ( -2.289 2.417 -0.410) 3.354 6.830 ( -0.110 -0.314 1.842) 1.872 7.080 ( -2.664 -1.575 1.142) 3.299 8.019 ( 0.619 0.926 -1.944) 2.241 8.263 ( -1.199 -5.911 -1.873) 6.315 8.552 ( 0.220 1.780 0.807) 1.966 8.703 ( -0.658 -3.803 2.265) 4.475 9.168 ( -0.656 4.419 -1.039) 4.586 9.310 ( -0.362 0.080 -3.508) 3.527 9.397 ( -0.434 -0.250 -0.288) 0.577 9.450 ( 0.274 -1.525 -0.965) 1.826 9.782 ( -2.076 0.612 -1.100) 2.428 9.833 ( -0.028 -0.527 -1.640) 1.723 10.183 ( 1.105 2.205 -0.518) 2.520 10.287 ( -1.503 -0.630 -4.168) 4.476 11.567 ( -0.412 1.027 -0.449) 1.195 11.770 ( -1.063 -4.388 -2.776) 5.300 12.214 ( -2.183 2.338 0.516) 3.240 12.308 ( -2.591 -0.561 -1.222) 2.919 13.022 ( 0.013 2.651 0.050) 2.652 13.060 ( -1.271 1.265 -1.267) 2.196 13.146 ( -1.519 -1.279 -0.483) 2.044 13.168 ( -0.157 1.896 -0.751) 2.045 13.262 ( -0.101 -1.252 -0.115) 1.261 13.400 ( -0.071 -2.310 -0.644) 2.399 13.592 ( -0.416 0.842 -0.454) 1.043 13.635 ( -0.918 -0.311 -0.425) 1.059 13.857 ( 1.268 1.141 0.861) 1.911 13.978 ( 1.064 -2.560 0.949) 2.930 14.061 ( 1.037 1.952 1.609) 2.734 14.142 ( 0.763 -0.800 2.393) 2.635 ======================= Grid point 134 (73/102) ======================= q-point: ( 0.12 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 4.601 6.994 5.102) 9.804 1.562 ( 15.995 7.484 6.713) 18.893 1.701 ( 0.784 -2.609 -0.354) 2.747 1.887 ( 0.392 -6.047 -1.594) 6.266 2.103 ( 0.465 -2.002 0.087) 2.057 2.116 ( 1.156 3.670 -1.188) 4.027 2.270 ( 1.669 1.353 -1.263) 2.492 2.302 ( 3.367 -3.295 0.536) 4.741 2.441 ( -4.478 1.538 1.693) 5.028 2.543 ( -1.127 1.974 3.387) 4.079 2.595 ( -3.957 -2.275 -2.436) 5.174 2.689 ( -1.686 -2.606 -2.338) 3.886 2.749 ( -0.243 2.077 1.177) 2.400 2.796 ( -1.565 -0.249 4.020) 4.321 2.899 ( -0.265 6.400 0.730) 6.447 3.027 ( 1.870 2.122 -2.918) 4.064 3.052 ( -0.313 4.188 2.160) 4.723 3.145 ( 5.098 -1.781 -4.850) 7.259 3.220 ( 2.355 -2.285 0.085) 3.282 3.369 ( -4.003 -2.834 -1.579) 5.153 3.533 ( 0.369 1.386 11.668) 11.755 3.760 ( 1.366 0.154 3.447) 3.711 4.024 ( -3.336 0.119 3.125) 4.573 4.117 ( 2.135 -4.239 -1.310) 4.923 4.236 ( -1.118 0.515 -6.945) 7.054 4.378 ( 1.189 1.901 -4.007) 4.591 4.602 ( -4.918 -8.683 -0.320) 9.985 4.654 ( -0.014 -5.324 3.069) 6.145 5.060 ( 2.204 4.282 -0.866) 4.893 5.172 ( -1.302 14.459 0.666) 14.532 5.313 ( 1.699 -2.689 -2.343) 3.950 5.956 ( 0.991 -13.259 1.567) 13.388 6.270 ( -0.102 5.970 0.834) 6.029 6.302 ( -0.605 1.155 -1.282) 1.828 6.366 ( 4.111 1.924 2.731) 5.297 6.673 ( 2.310 3.247 1.644) 4.310 6.840 ( -0.150 -0.536 1.239) 1.358 7.083 ( 1.766 -1.364 3.202) 3.903 8.011 ( -0.109 0.592 -1.836) 1.932 8.245 ( 0.144 -5.978 -0.179) 5.982 8.564 ( 0.636 1.678 0.266) 1.814 8.720 ( 0.827 -3.975 1.954) 4.506 9.132 ( -2.336 4.619 -0.013) 5.176 9.291 ( 0.298 -0.116 -2.057) 2.082 9.395 ( 0.089 -0.387 0.260) 0.474 9.440 ( -0.391 -1.646 -0.948) 1.939 9.748 ( -0.940 1.921 0.471) 2.190 9.836 ( 0.940 -0.887 -0.321) 1.332 10.184 ( -1.098 1.017 0.438) 1.559 10.214 ( -3.052 -0.127 -3.267) 4.472 11.578 ( 1.651 0.810 0.185) 1.848 11.748 ( 0.143 -3.673 -0.724) 3.747 12.220 ( 1.753 1.807 2.555) 3.587 12.293 ( 0.957 -0.415 1.640) 1.944 13.026 ( 0.133 1.933 0.475) 1.995 13.040 ( -0.097 2.144 -0.114) 2.149 13.140 ( 0.631 -1.314 1.101) 1.827 13.164 ( 0.177 1.730 -0.290) 1.763 13.266 ( 0.541 -1.049 0.010) 1.180 13.408 ( 1.185 -2.389 -0.316) 2.686 13.582 ( -0.438 0.762 0.061) 0.881 13.618 ( -0.689 -0.202 0.384) 0.814 13.880 ( 0.814 0.951 -0.559) 1.371 13.987 ( -0.652 -2.286 -0.361) 2.404 14.077 ( 0.225 1.824 0.234) 1.853 14.157 ( -0.358 -0.790 0.784) 1.169 ======================= Grid point 135 (74/102) ======================= q-point: ( 0.25 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 6.496 4.429 5.143) 9.395 1.674 ( 1.368 -1.773 -1.978) 2.988 1.856 ( 2.701 -8.494 -0.006) 8.913 1.909 ( 6.084 -3.779 -2.654) 7.638 2.102 ( 0.723 -0.659 -2.729) 2.900 2.156 ( 2.687 5.093 -0.916) 5.831 2.304 ( 1.736 5.640 0.385) 5.913 2.320 ( -5.081 2.260 0.627) 5.597 2.384 ( 1.956 -0.713 2.134) 2.981 2.483 ( -3.902 0.246 -4.534) 5.987 2.513 ( -4.124 0.376 0.491) 4.170 2.592 ( -3.458 -1.610 -4.883) 6.196 2.724 ( -0.931 7.416 1.554) 7.634 2.869 ( 2.332 -0.225 3.920) 4.566 2.897 ( 0.329 1.571 0.388) 1.652 3.021 ( 0.503 -0.640 -3.943) 4.027 3.072 ( 1.066 1.793 -0.766) 2.222 3.163 ( 0.236 -1.356 -6.856) 6.993 3.236 ( -6.642 -2.192 0.293) 7.001 3.269 ( 0.743 -1.536 -1.655) 2.377 3.595 ( 1.405 1.401 4.066) 4.525 3.785 ( -0.631 -0.772 0.463) 1.100 3.930 ( -5.471 3.199 -2.078) 6.670 4.126 ( -0.476 -1.168 -5.047) 5.202 4.189 ( 0.587 -1.603 -4.461) 4.777 4.324 ( -3.723 4.395 -4.027) 7.028 4.501 ( -3.867 -11.662 -1.370) 12.363 4.647 ( -1.777 -6.921 1.235) 7.252 5.079 ( 0.780 3.927 -2.494) 4.717 5.166 ( 0.416 15.517 0.721) 15.540 5.298 ( -0.682 -2.127 -4.936) 5.418 6.002 ( 1.841 -13.172 2.539) 13.540 6.283 ( 0.100 3.090 0.775) 3.187 6.289 ( 0.878 4.704 -0.564) 4.819 6.465 ( 3.629 0.325 2.280) 4.298 6.727 ( 0.707 -3.004 0.794) 3.187 6.863 ( 2.162 6.509 2.517) 7.306 7.177 ( 4.467 -1.158 4.604) 6.519 7.997 ( -0.092 0.644 -1.486) 1.623 8.265 ( 1.284 -6.712 1.688) 7.039 8.584 ( 1.411 1.719 0.096) 2.226 8.756 ( 1.547 -4.579 1.440) 5.043 9.083 ( -2.766 5.261 0.826) 6.000 9.290 ( 0.046 -0.911 -0.210) 0.936 9.396 ( -0.291 -0.739 0.344) 0.866 9.442 ( 1.460 -1.370 -0.195) 2.011 9.752 ( 0.447 2.932 1.661) 3.399 9.861 ( 1.161 -0.662 0.993) 1.665 10.132 ( -3.706 0.454 0.459) 3.762 10.154 ( -1.716 -0.328 -1.091) 2.060 11.632 ( 3.306 0.483 0.842) 3.446 11.764 ( 1.142 -2.995 1.253) 3.441 12.307 ( 4.295 1.263 4.573) 6.400 12.358 ( 3.197 -0.296 4.534) 5.556 13.039 ( 0.663 2.003 1.311) 2.484 13.050 ( 0.788 2.411 0.537) 2.593 13.162 ( 0.373 1.060 0.428) 1.202 13.185 ( 1.788 -1.367 2.222) 3.162 13.281 ( 0.877 -0.300 0.118) 0.934 13.441 ( 2.082 -2.521 0.190) 3.275 13.576 ( -0.449 0.796 0.550) 1.066 13.613 ( -0.171 -0.210 0.730) 0.779 13.882 ( 0.202 0.616 -1.729) 1.846 13.947 ( -2.470 -1.124 -1.386) 3.047 14.078 ( 0.182 0.884 -1.135) 1.450 14.136 ( -1.653 -0.676 -0.945) 2.020 ======================= Grid point 136 (75/102) ======================= q-point: ( 0.38 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 0.128 1.743 2.093) 2.726 1.710 ( 2.498 0.783 -0.245) 2.629 1.859 ( 0.394 -8.202 -1.670) 8.380 1.974 ( -0.174 -4.507 0.286) 4.520 2.106 ( -0.940 -1.571 -3.711) 4.138 2.164 ( -2.750 0.261 -0.123) 2.765 2.198 ( -0.131 3.003 -1.594) 3.403 2.278 ( -4.859 5.929 -2.442) 8.045 2.402 ( -2.664 1.398 -2.511) 3.919 2.427 ( 0.113 -1.714 2.265) 2.842 2.489 ( 1.178 0.800 -1.429) 2.017 2.522 ( 0.747 1.374 -4.678) 4.933 2.729 ( 0.772 6.532 -0.440) 6.592 2.862 ( -2.983 -0.362 -4.250) 5.205 2.909 ( -1.683 -0.232 2.479) 3.006 3.011 ( -4.600 -2.090 -1.525) 5.278 3.021 ( -2.453 -0.100 -0.191) 2.463 3.061 ( -1.297 -0.256 -11.518) 11.593 3.200 ( 2.999 0.215 0.371) 3.029 3.248 ( -2.585 -0.884 2.452) 3.671 3.652 ( 2.337 1.949 -0.413) 3.071 3.734 ( -4.527 0.041 0.930) 4.621 3.821 ( -2.130 1.906 -6.420) 7.028 4.047 ( -1.873 1.107 -8.732) 8.999 4.131 ( -2.980 2.978 -6.037) 7.361 4.276 ( 0.228 0.944 2.031) 2.251 4.420 ( -3.415 -7.132 -2.951) 8.440 4.627 ( -0.480 -11.785 1.509) 11.891 5.069 ( -0.022 2.802 -2.403) 3.691 5.182 ( 0.450 12.688 -0.653) 12.713 5.236 ( -1.524 1.314 -4.606) 5.026 6.049 ( 0.866 -13.504 3.108) 13.884 6.285 ( 0.110 3.535 -0.011) 3.536 6.320 ( 1.297 4.290 1.352) 4.681 6.526 ( 1.153 -0.325 1.592) 1.992 6.715 ( -1.082 -5.288 -0.472) 5.419 6.942 ( 2.782 9.942 3.719) 10.973 7.294 ( 3.744 -1.257 4.372) 5.892 7.990 ( 0.255 1.024 -1.189) 1.590 8.310 ( 1.678 -7.308 2.475) 7.896 8.621 ( 1.885 1.523 0.466) 2.468 8.795 ( 1.350 -5.246 1.234) 5.556 9.042 ( -1.634 5.835 0.899) 6.126 9.278 ( -1.142 -1.974 0.158) 2.286 9.401 ( 0.683 0.533 0.329) 0.926 9.489 ( 2.685 -1.601 0.768) 3.219 9.781 ( 1.222 2.690 1.874) 3.499 9.889 ( 0.679 -0.429 1.574) 1.767 10.074 ( -2.927 0.959 1.964) 3.653 10.124 ( 0.031 -0.724 -1.581) 1.739 11.707 ( 3.082 -0.048 1.056) 3.258 11.800 ( 1.248 -2.523 2.123) 3.526 12.427 ( 3.798 0.815 5.619) 6.831 12.461 ( 3.389 -0.152 5.666) 6.603 13.056 ( 0.586 2.196 -0.200) 2.282 13.083 ( 1.353 2.337 2.688) 3.810 13.170 ( 0.298 0.755 0.157) 0.826 13.242 ( 1.918 -1.720 2.938) 3.907 13.299 ( 0.651 0.729 0.220) 1.002 13.484 ( 1.783 -2.731 0.573) 3.312 13.571 ( -0.399 1.061 0.590) 1.278 13.619 ( 0.250 -0.286 0.600) 0.711 13.869 ( -0.206 0.071 -2.074) 2.086 13.886 ( -2.370 -0.375 -1.730) 2.958 14.066 ( -0.526 0.183 -1.755) 1.841 14.086 ( -2.201 -0.341 -1.816) 2.874 ======================= Grid point 137 (76/102) ======================= q-point: (-0.50 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( -1.860 1.041 1.418) 2.560 1.727 ( -1.631 -0.299 3.027) 3.451 1.870 ( 2.015 -8.206 -1.654) 8.610 1.914 ( -7.033 -0.169 0.575) 7.058 1.984 ( -4.346 -2.168 -0.611) 4.895 2.095 ( -6.352 -2.679 2.199) 7.236 2.180 ( -2.605 5.961 0.167) 6.507 2.235 ( 0.842 3.104 -1.166) 3.421 2.299 ( -4.693 2.554 -1.771) 5.629 2.464 ( 1.454 -0.128 -4.976) 5.185 2.513 ( -0.603 1.167 1.544) 2.027 2.568 ( 9.601 -2.255 -1.952) 10.054 2.691 ( -4.291 0.716 -3.562) 5.622 2.712 ( -5.631 -0.249 -3.459) 6.613 2.846 ( -5.851 0.859 -3.338) 6.791 2.951 ( -0.135 -2.288 -10.149) 10.404 2.973 ( 2.676 2.855 4.967) 6.323 3.030 ( 0.178 1.210 0.144) 1.231 3.135 ( -5.478 1.553 -0.573) 5.723 3.330 ( 3.439 -2.681 3.614) 5.664 3.626 ( -5.613 3.652 -1.104) 6.787 3.661 ( -3.182 1.667 3.139) 4.770 3.774 ( 1.089 -0.707 -2.947) 3.220 3.963 ( -1.330 3.056 -6.641) 7.431 4.065 ( 0.678 1.325 -6.872) 7.031 4.263 ( -2.322 -3.380 -3.145) 5.168 4.372 ( -0.100 -0.064 3.274) 3.276 4.654 ( 2.353 -13.334 0.561) 13.551 5.047 ( -1.017 1.603 -1.454) 2.391 5.148 ( -0.697 0.259 -4.779) 4.837 5.220 ( 0.305 14.388 0.380) 14.396 6.074 ( -0.339 -13.468 2.956) 13.793 6.283 ( -0.352 4.140 0.167) 4.158 6.345 ( -0.218 3.560 1.843) 4.015 6.535 ( -0.994 -0.387 1.404) 1.763 6.695 ( -0.635 -5.109 -0.054) 5.148 7.002 ( 0.941 10.076 2.695) 10.472 7.363 ( 0.431 -1.502 3.271) 3.625 7.991 ( 0.523 1.518 -1.146) 1.972 8.354 ( 1.025 -7.765 1.821) 8.041 8.647 ( -0.115 1.538 0.648) 1.673 8.819 ( 0.264 -5.328 0.869) 5.405 9.035 ( 0.319 5.812 0.644) 5.856 9.268 ( 0.763 -2.140 -0.350) 2.299 9.418 ( 0.615 1.317 0.159) 1.462 9.536 ( 1.104 -1.910 0.421) 2.246 9.818 ( 1.340 1.680 1.012) 2.376 9.905 ( -0.043 -0.564 1.506) 1.608 10.049 ( -0.681 2.091 1.663) 2.757 10.146 ( 3.448 -0.811 -2.366) 4.260 11.746 ( -0.129 -0.215 0.966) 0.998 11.840 ( 1.517 -2.730 1.385) 3.417 12.506 ( 0.272 0.994 5.083) 5.186 12.551 ( 1.910 -0.229 4.276) 4.688 13.061 ( 0.037 2.054 -0.292) 2.075 13.126 ( 1.083 2.321 2.064) 3.290 13.177 ( 0.348 0.343 -0.042) 0.491 13.291 ( 1.105 -1.660 2.180) 2.955 13.307 ( 0.015 1.438 0.214) 1.454 13.508 ( 0.241 -2.714 0.393) 2.753 13.570 ( -0.029 1.290 0.474) 1.375 13.629 ( 0.496 -0.344 0.242) 0.651 13.841 ( -0.958 -0.204 -1.226) 1.569 13.850 ( -0.390 -0.338 -1.662) 1.741 14.036 ( -1.555 -0.109 -1.114) 1.916 14.037 ( -1.288 -0.066 -1.167) 1.739 ======================= Grid point 138 (77/102) ======================= q-point: (-0.38 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( -4.635 1.165 3.569) 5.965 1.682 ( -4.731 -2.265 1.214) 5.384 1.792 ( -5.247 0.464 8.744) 10.208 1.876 ( -5.294 -4.410 -0.887) 6.947 1.918 ( -4.623 -5.977 0.748) 7.593 1.979 ( -1.704 -2.697 7.832) 8.457 2.150 ( -0.436 3.742 1.878) 4.210 2.216 ( -2.116 5.583 -2.518) 6.480 2.271 ( 3.554 1.610 0.530) 3.937 2.459 ( 0.937 -0.645 -2.881) 3.097 2.530 ( 0.651 0.701 1.428) 1.719 2.555 ( -3.452 1.431 -2.330) 4.404 2.626 ( -3.275 -1.625 3.408) 4.998 2.737 ( 0.910 1.965 0.364) 2.196 2.768 ( 1.334 -2.906 -1.710) 3.626 2.932 ( 4.756 -3.124 -2.727) 6.310 2.983 ( -2.618 5.658 3.557) 7.177 3.031 ( -4.859 3.722 1.389) 6.276 3.121 ( 5.629 1.336 1.400) 5.953 3.367 ( -1.171 -2.680 -0.120) 2.927 3.465 ( -7.714 4.239 -1.942) 9.014 3.639 ( -1.012 2.430 3.977) 4.770 3.816 ( 3.085 -1.659 -1.429) 3.783 3.928 ( 1.820 2.817 -2.029) 3.919 4.038 ( -0.472 -4.503 -3.535) 5.744 4.222 ( -0.012 -2.827 2.259) 3.619 4.408 ( 1.934 1.553 -0.450) 2.521 4.709 ( 2.860 -11.164 -1.044) 11.571 5.012 ( -1.871 1.705 -0.047) 2.532 5.127 ( 1.164 -0.618 -2.788) 3.084 5.225 ( -0.088 14.958 0.078) 14.959 6.073 ( -1.520 -13.305 2.043) 13.546 6.275 ( -0.555 4.095 0.308) 4.144 6.328 ( -2.542 3.897 1.699) 4.953 6.512 ( -2.382 -0.132 1.762) 2.966 6.691 ( 0.062 -5.367 0.618) 5.403 7.009 ( -1.566 9.313 0.990) 9.495 7.350 ( -3.413 -1.511 1.963) 4.217 7.995 ( 0.770 1.802 -1.336) 2.372 8.369 ( -0.265 -8.036 0.318) 8.047 8.623 ( -2.350 2.012 0.552) 3.143 8.810 ( -1.773 -5.263 0.646) 5.591 9.063 ( 2.335 5.833 -0.001) 6.283 9.308 ( 3.179 -2.209 -0.934) 3.982 9.423 ( 0.034 1.180 -0.464) 1.268 9.529 ( -1.606 -1.602 -0.870) 2.430 9.843 ( 1.012 0.894 -0.550) 1.458 9.908 ( -0.532 -0.534 0.889) 1.166 10.066 ( 1.563 2.941 0.410) 3.355 10.219 ( 5.364 -1.215 -3.429) 6.481 11.719 ( -2.714 0.309 0.520) 2.780 11.867 ( 0.614 -3.642 -0.451) 3.721 12.499 ( -3.531 1.730 2.814) 4.836 12.575 ( -1.576 -0.480 1.393) 2.158 13.054 ( -0.536 2.245 -0.224) 2.319 13.146 ( 0.137 1.899 0.392) 1.943 13.182 ( 0.251 0.458 -0.399) 0.657 13.298 ( -0.918 0.075 0.019) 0.921 13.311 ( -0.228 -0.540 0.483) 0.760 13.498 ( -1.422 -2.621 -0.026) 2.982 13.577 ( 0.516 1.444 0.405) 1.586 13.642 ( 0.770 -0.363 -0.157) 0.866 13.830 ( -0.392 -0.192 -0.607) 0.747 13.840 ( 0.958 -0.233 -0.134) 0.995 14.006 ( -1.377 0.017 0.399) 1.434 14.019 ( -0.021 -0.315 0.816) 0.875 ======================= Grid point 139 (78/102) ======================= q-point: (-0.25 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -17.073 -4.544 7.431) 19.167 1.595 ( -4.344 -6.288 3.583) 8.440 1.713 ( -5.349 2.919 7.978) 10.039 1.837 ( 0.359 -1.525 7.324) 7.489 1.924 ( 0.899 -5.816 -2.821) 6.526 2.027 ( 1.104 1.966 10.021) 10.272 2.172 ( -0.726 5.631 -2.639) 6.261 2.214 ( 4.512 4.095 5.458) 8.180 2.382 ( 5.050 -1.000 1.962) 5.509 2.459 ( -1.076 -2.394 -0.045) 2.625 2.491 ( -0.123 3.596 -1.646) 3.957 2.546 ( 0.610 1.220 2.465) 2.818 2.631 ( -1.531 0.852 8.825) 8.997 2.736 ( -1.624 1.640 4.009) 4.626 2.772 ( -0.782 0.121 6.441) 6.489 2.967 ( -0.058 4.386 1.011) 4.501 2.972 ( 0.175 3.745 1.515) 4.043 3.069 ( 4.106 0.441 2.274) 4.714 3.220 ( 3.119 -0.976 3.341) 4.674 3.282 ( -4.271 0.931 -1.788) 4.723 3.371 ( -0.856 -1.085 -3.833) 4.075 3.669 ( 0.232 1.722 4.425) 4.754 3.859 ( 3.797 -1.313 -1.068) 4.157 4.001 ( -0.772 -5.653 1.521) 5.904 4.029 ( 5.992 -1.115 0.862) 6.156 4.297 ( 3.815 -4.727 7.635) 9.756 4.430 ( 1.599 3.723 -4.534) 6.081 4.741 ( 1.348 -9.164 -2.148) 9.508 4.981 ( -1.409 2.753 1.344) 3.372 5.151 ( 2.114 -0.469 -0.375) 2.198 5.217 ( -0.481 13.775 -0.568) 13.795 6.040 ( -2.628 -13.256 0.849) 13.540 6.267 ( -0.776 3.223 0.669) 3.382 6.281 ( -2.516 5.217 1.309) 5.938 6.461 ( -3.994 0.630 1.821) 4.434 6.705 ( 0.571 -5.977 1.200) 6.123 6.952 ( -4.178 8.335 -0.551) 9.340 7.266 ( -5.592 -1.343 0.915) 5.824 8.003 ( 1.036 1.750 -1.650) 2.619 8.349 ( -1.329 -7.771 -1.172) 7.970 8.578 ( -2.190 2.287 0.544) 3.213 8.765 ( -2.972 -4.597 1.017) 5.568 9.120 ( 3.205 5.330 -0.733) 6.263 9.355 ( 1.964 -1.597 -2.187) 3.345 9.420 ( 0.370 -0.050 -0.695) 0.789 9.475 ( -2.438 -0.988 -1.734) 3.151 9.849 ( 0.374 0.609 -2.095) 2.214 9.892 ( -1.326 -0.312 -0.137) 1.369 10.107 ( 2.516 3.166 -0.627) 4.092 10.292 ( 4.188 -1.516 -4.320) 6.205 11.658 ( -3.274 0.893 -0.234) 3.402 11.857 ( -0.624 -4.463 -2.373) 5.092 12.412 ( -5.955 2.371 0.442) 6.425 12.511 ( -4.514 -0.620 -1.337) 4.749 13.040 ( -0.726 2.608 -0.097) 2.709 13.135 ( -0.915 1.674 -1.317) 2.318 13.181 ( 0.040 0.746 -0.660) 0.997 13.265 ( -2.159 -1.121 -0.962) 2.616 13.294 ( -1.189 -0.298 -0.342) 1.272 13.458 ( -2.143 -2.391 -0.468) 3.244 13.593 ( 0.743 1.192 0.121) 1.410 13.655 ( 0.711 -0.468 -0.721) 1.116 13.818 ( -0.454 0.695 0.458) 0.948 13.883 ( 2.501 -0.973 1.226) 2.950 13.995 ( -0.386 0.663 1.986) 2.129 14.047 ( 1.452 -0.725 2.681) 3.134 ======================= Grid point 140 (79/102) ======================= q-point: (-0.12 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( -13.050 -0.768 12.855) 18.334 1.558 ( -8.617 9.671 7.875) 15.159 1.647 ( -1.193 -2.932 4.026) 5.121 1.907 ( 0.571 -5.988 -3.340) 6.880 1.937 ( 5.005 -5.387 4.913) 8.844 2.107 ( -0.912 0.658 6.345) 6.444 2.166 ( 1.616 6.297 0.013) 6.501 2.305 ( -2.142 -0.772 1.824) 2.917 2.400 ( 3.428 3.217 2.991) 5.572 2.494 ( 1.753 2.252 -0.130) 2.857 2.574 ( 4.792 -3.528 5.035) 7.795 2.621 ( 4.750 1.072 4.632) 6.721 2.645 ( -1.426 -0.375 6.219) 6.391 2.756 ( 0.406 0.092 5.608) 5.623 2.850 ( 3.066 5.210 8.893) 10.753 2.971 ( 0.163 1.580 -2.667) 3.104 3.000 ( 0.727 3.024 -0.751) 3.200 3.106 ( -1.067 2.887 3.187) 4.431 3.221 ( -1.547 1.090 0.815) 2.060 3.311 ( 2.623 -1.106 6.155) 6.782 3.366 ( 2.385 -2.839 -1.558) 4.022 3.683 ( -1.334 1.025 5.010) 5.285 3.955 ( 2.741 -4.700 4.194) 6.870 4.011 ( 2.460 -5.849 1.508) 6.522 4.178 ( 7.012 0.890 1.576) 7.242 4.403 ( -0.281 3.336 -6.297) 7.132 4.450 ( 5.098 -3.779 8.567) 10.661 4.735 ( -0.560 -8.846 -2.179) 9.127 4.980 ( 0.284 3.835 1.947) 4.311 5.191 ( 0.956 9.298 -0.227) 9.350 5.214 ( 1.317 2.687 0.807) 3.100 5.988 ( -2.624 -13.552 0.172) 13.805 6.243 ( -1.520 4.854 2.879) 5.844 6.278 ( 1.038 3.403 -0.545) 3.599 6.384 ( -4.379 2.108 1.259) 5.020 6.715 ( -0.945 -4.799 0.716) 4.943 6.858 ( -3.904 6.297 -0.377) 7.419 7.158 ( -5.328 -1.410 0.497) 5.534 8.014 ( 1.118 1.422 -1.893) 2.618 8.307 ( -1.657 -6.862 -2.112) 7.368 8.551 ( -0.871 2.168 0.783) 2.464 8.719 ( -2.295 -4.031 1.806) 4.977 9.165 ( 1.744 4.759 -1.213) 5.212 9.346 ( -0.475 -0.358 -3.778) 3.825 9.417 ( -1.227 -0.584 -0.363) 1.406 9.442 ( 0.898 -1.336 -1.355) 2.104 9.829 ( -0.977 0.237 -2.449) 2.647 9.858 ( -1.402 -0.105 -1.243) 1.877 10.152 ( 2.378 2.978 -0.931) 3.922 10.319 ( 1.335 -1.251 -4.572) 4.924 11.598 ( -2.246 1.130 -0.665) 2.600 11.816 ( -1.323 -4.749 -3.436) 6.009 12.293 ( -5.420 2.606 -0.455) 6.032 12.399 ( -4.935 -0.649 -2.369) 5.512 13.027 ( -0.472 2.798 -0.001) 2.838 13.099 ( -1.433 1.336 -2.010) 2.806 13.175 ( -0.231 1.307 -0.741) 1.520 13.203 ( -2.940 -1.289 -1.464) 3.528 13.272 ( -0.754 -0.842 -0.254) 1.159 13.418 ( -1.326 -2.283 -0.710) 2.734 13.600 ( 0.044 0.956 -0.443) 1.055 13.654 ( -0.312 -0.506 -1.068) 1.223 13.827 ( 0.718 1.195 1.468) 2.024 13.939 ( 1.998 -2.181 1.557) 3.343 14.020 ( 1.273 1.711 2.504) 3.289 14.099 ( 1.576 -0.851 3.185) 3.654 ======================= Grid point 141 (80/102) ======================= q-point: ( 0.00 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 9.217 11.783 8.637) 17.274 1.572 ( 4.738 -6.872 3.296) 8.975 1.690 ( -6.491 10.989 5.437) 13.872 1.807 ( -0.755 -3.445 -0.725) 3.601 1.986 ( 4.573 -3.097 4.070) 6.861 2.045 ( -1.724 -6.838 5.871) 9.176 2.234 ( -0.533 2.255 -2.287) 3.256 2.258 ( -0.143 -0.503 -2.053) 2.118 2.523 ( 1.068 2.725 1.426) 3.255 2.557 ( -0.517 -1.370 4.018) 4.276 2.612 ( 0.460 2.126 1.138) 2.455 2.649 ( 1.020 0.851 0.852) 1.578 2.699 ( 0.908 -1.364 1.879) 2.493 2.762 ( 1.443 -5.049 0.882) 5.325 3.004 ( 3.765 3.015 1.212) 4.974 3.025 ( 4.797 0.692 1.489) 5.070 3.134 ( -0.606 4.698 -1.697) 5.032 3.159 ( -1.672 7.710 -1.572) 8.044 3.193 ( -1.641 -0.850 -1.249) 2.231 3.319 ( 0.358 -6.646 -0.818) 6.706 3.482 ( 1.466 6.340 15.871) 17.153 3.638 ( -0.984 -8.721 13.874) 16.417 3.960 ( 3.405 1.319 1.642) 4.004 4.017 ( 2.589 -3.776 1.713) 4.888 4.328 ( 2.671 3.305 -5.640) 7.062 4.387 ( 1.326 -1.516 -5.349) 5.716 4.527 ( 1.244 -0.899 5.185) 5.408 4.568 ( -2.476 -4.288 3.073) 5.828 5.106 ( 2.224 5.397 0.899) 5.906 5.200 ( 2.569 -4.676 0.651) 5.374 5.442 ( -0.707 13.954 0.210) 13.973 5.696 ( -0.882 -14.016 0.294) 14.046 6.316 ( 0.409 1.409 0.491) 1.547 6.338 ( -0.950 -0.766 -0.061) 1.222 6.415 ( 0.559 9.925 1.436) 10.043 6.596 ( 0.345 -8.833 1.527) 8.971 6.915 ( -2.519 7.311 1.015) 7.799 7.027 ( -2.708 -4.501 1.257) 5.401 8.056 ( 0.104 3.408 -2.189) 4.052 8.146 ( -0.577 -6.208 -2.143) 6.593 8.586 ( -0.064 2.110 1.091) 2.376 8.635 ( -0.348 -3.317 1.589) 3.694 9.250 ( -0.715 4.008 -1.465) 4.327 9.301 ( -0.538 -1.476 -2.667) 3.095 9.398 ( -0.163 0.497 -0.421) 0.672 9.418 ( 0.179 -1.657 -0.815) 1.855 9.798 ( -1.286 1.064 -0.955) 1.923 9.818 ( -0.789 -1.071 -0.880) 1.595 10.230 ( 0.329 2.542 -2.248) 3.409 10.268 ( -0.797 -1.565 -3.391) 3.819 11.603 ( -0.510 3.114 -1.035) 3.320 11.679 ( -0.749 -4.995 -1.875) 5.388 12.258 ( -2.380 2.260 -0.205) 3.288 12.291 ( -2.527 -1.360 -0.808) 2.981 13.072 ( -1.025 2.324 -0.109) 2.542 13.099 ( -0.936 1.801 -0.414) 2.071 13.119 ( -0.836 -0.221 -0.946) 1.282 13.170 ( -0.024 -2.519 -0.486) 2.565 13.272 ( -0.175 3.101 -0.523) 3.150 13.342 ( -0.145 -3.876 -0.615) 3.927 13.610 ( -0.525 0.996 -0.477) 1.222 13.626 ( -0.706 -0.696 -0.473) 1.098 13.887 ( 1.134 2.103 0.819) 2.526 13.931 ( 1.067 -2.586 0.815) 2.913 14.094 ( 0.962 1.689 1.970) 2.767 14.122 ( 0.858 -1.360 2.236) 2.754 ======================= Grid point 142 (81/102) ======================= q-point: ( 0.12 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 3.247 6.760 -0.862) 7.549 1.624 ( 1.262 -2.145 -1.068) 2.708 1.704 ( 2.804 4.055 5.354) 7.278 1.797 ( 0.011 -4.882 0.940) 4.972 2.078 ( 4.929 1.992 1.661) 5.570 2.144 ( 3.954 -2.078 2.084) 4.929 2.264 ( 4.650 -0.139 0.055) 4.652 2.280 ( 4.589 -0.690 -0.547) 4.673 2.490 ( -5.045 3.067 1.780) 6.167 2.534 ( -3.315 -1.962 2.626) 4.662 2.583 ( -2.271 1.238 -1.830) 3.169 2.635 ( -2.568 -3.579 -2.344) 4.990 2.765 ( 4.770 2.141 1.534) 5.449 2.804 ( 1.658 -1.133 0.206) 2.019 3.052 ( -3.605 6.709 -4.092) 8.646 3.068 ( -0.156 3.316 -3.672) 4.950 3.111 ( 2.352 -1.328 -1.125) 2.926 3.141 ( 1.288 3.315 0.818) 3.650 3.172 ( 0.471 -0.574 1.379) 1.566 3.285 ( -2.774 -6.517 -1.588) 7.259 3.590 ( -0.133 5.239 12.281) 13.352 3.708 ( -0.601 -6.111 10.170) 11.880 4.032 ( 2.196 0.943 0.746) 2.503 4.058 ( 2.051 -2.040 -1.093) 3.093 4.265 ( -2.411 2.947 -7.748) 8.633 4.346 ( -1.512 -5.274 -7.458) 9.259 4.521 ( -3.387 1.183 2.308) 4.266 4.576 ( -1.200 -3.929 3.249) 5.238 5.152 ( 2.097 5.372 -1.341) 5.921 5.245 ( 1.894 -4.607 -1.837) 5.309 5.439 ( 0.066 14.671 0.851) 14.696 5.703 ( 0.979 -14.334 1.137) 14.412 6.324 ( 0.272 1.385 -0.036) 1.412 6.343 ( 1.080 -0.043 0.560) 1.217 6.445 ( 1.553 8.650 1.015) 8.847 6.613 ( 0.473 -8.336 0.683) 8.377 6.923 ( 1.979 7.343 3.029) 8.186 7.035 ( 1.989 -4.348 3.387) 5.859 8.041 ( -0.291 3.014 -1.574) 3.412 8.126 ( -0.216 -6.182 -0.934) 6.256 8.599 ( 0.655 2.198 0.682) 2.393 8.649 ( 0.753 -3.430 1.236) 3.722 9.218 ( -1.791 4.223 -0.277) 4.595 9.275 ( -0.727 -1.961 -1.178) 2.400 9.393 ( -0.126 0.402 -0.238) 0.484 9.410 ( -0.231 -1.433 -0.760) 1.638 9.785 ( 0.202 1.898 0.444) 1.960 9.815 ( 0.664 -1.418 0.321) 1.598 10.202 ( -1.872 0.812 -1.246) 2.391 10.211 ( -2.827 -0.255 -2.136) 3.552 11.608 ( 1.367 2.579 -0.108) 2.920 11.671 ( 0.802 -4.221 -0.436) 4.319 12.254 ( 1.357 1.765 2.199) 3.129 12.280 ( 1.080 -1.038 1.878) 2.402 13.062 ( -0.039 2.132 1.029) 2.368 13.093 ( 0.282 1.194 0.794) 1.461 13.114 ( 0.417 0.561 -0.078) 0.703 13.167 ( -0.052 -2.299 -0.335) 2.324 13.278 ( 0.994 3.031 -0.159) 3.194 13.348 ( 1.063 -3.957 -0.236) 4.104 13.598 ( -0.506 0.883 0.108) 1.024 13.611 ( -0.592 -0.558 0.224) 0.843 13.905 ( 0.468 1.820 -0.477) 1.939 13.944 ( -0.021 -2.329 -0.419) 2.367 14.109 ( -0.141 1.685 0.439) 1.747 14.137 ( -0.287 -1.356 0.640) 1.527 ======================= Grid point 143 (82/102) ======================= q-point: ( 0.25 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 4.359 1.397 -0.993) 4.684 1.655 ( 5.882 0.191 -3.223) 6.710 1.750 ( -0.003 -0.965 1.229) 1.562 1.817 ( 2.490 -5.594 -1.551) 6.317 2.135 ( 0.118 3.452 -0.485) 3.488 2.191 ( 0.217 -1.532 -0.223) 1.563 2.332 ( -3.791 0.849 0.650) 3.939 2.344 ( -0.937 -0.324 0.861) 1.313 2.454 ( 4.450 5.291 1.892) 7.168 2.495 ( -1.980 0.501 -2.057) 2.899 2.525 ( -2.090 0.573 -0.477) 2.220 2.557 ( -1.818 -2.397 -3.559) 4.660 2.826 ( 0.615 3.347 1.393) 3.677 2.861 ( 3.288 -0.865 1.838) 3.865 2.940 ( -3.157 3.015 -4.527) 6.289 2.994 ( -3.228 -2.621 -4.605) 6.204 3.115 ( -1.721 3.034 -1.258) 3.708 3.169 ( 0.828 0.765 -5.469) 5.584 3.185 ( -2.565 -1.752 1.810) 3.595 3.229 ( 0.923 -2.756 -1.917) 3.482 3.649 ( 0.517 4.620 6.404) 7.913 3.739 ( -1.162 -4.278 4.765) 6.508 4.016 ( -1.910 6.129 -4.876) 8.062 4.115 ( 4.362 -2.151 -3.705) 6.114 4.166 ( -2.184 0.427 -7.512) 7.835 4.253 ( -3.231 -9.578 -3.842) 10.814 4.439 ( -5.183 4.960 0.189) 7.177 4.539 ( -3.503 -5.691 0.682) 6.717 5.159 ( 0.285 4.664 -3.626) 5.915 5.239 ( -0.367 -3.900 -4.440) 5.921 5.456 ( 0.898 15.833 1.404) 15.921 5.740 ( 1.469 -15.198 1.910) 15.388 6.338 ( 0.980 3.200 0.576) 3.396 6.373 ( 1.282 1.224 1.004) 2.037 6.482 ( 1.618 4.398 0.360) 4.700 6.615 ( -0.397 -7.991 -0.404) 8.011 7.017 ( 4.323 8.366 4.593) 10.478 7.133 ( 4.503 -4.147 4.816) 7.789 8.031 ( 0.126 3.466 -0.753) 3.549 8.130 ( 0.733 -7.168 0.492) 7.222 8.621 ( 1.276 2.415 0.441) 2.767 8.677 ( 1.299 -3.785 0.863) 4.094 9.179 ( -2.234 4.889 0.757) 5.428 9.253 ( -1.379 -3.177 0.380) 3.484 9.394 ( 0.630 0.704 0.057) 0.947 9.416 ( 1.244 -1.447 -0.015) 1.908 9.805 ( 1.001 2.610 1.371) 3.114 9.842 ( 1.271 -1.464 1.274) 2.320 10.141 ( -3.145 0.450 -0.341) 3.195 10.148 ( -2.686 -0.354 -0.293) 2.725 11.653 ( 2.735 1.905 0.820) 3.432 11.702 ( 1.918 -3.386 0.976) 4.011 12.331 ( 3.784 1.242 4.548) 6.045 12.349 ( 3.394 -0.727 4.534) 5.710 13.086 ( 1.103 2.896 2.464) 3.959 13.106 ( 0.508 3.274 -0.001) 3.313 13.141 ( 1.553 -2.426 2.346) 3.715 13.164 ( 0.016 -2.108 -0.265) 2.125 13.306 ( 1.690 3.272 0.236) 3.691 13.378 ( 1.900 -4.084 0.253) 4.511 13.592 ( -0.332 0.918 0.599) 1.145 13.606 ( -0.230 -0.593 0.663) 0.919 13.898 ( -0.441 1.170 -1.607) 2.037 13.923 ( -1.391 -1.440 -1.484) 2.492 14.098 ( -0.667 1.186 -1.093) 1.745 14.119 ( -1.288 -1.098 -1.026) 1.979 ======================= Grid point 144 (83/102) ======================= q-point: ( 0.38 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 0.004 0.926 -0.566) 1.085 1.726 ( -0.233 -5.556 -0.998) 5.649 1.779 ( 3.265 5.294 -0.255) 6.226 1.880 ( 3.011 -5.617 -1.146) 6.476 2.101 ( -2.885 0.866 -1.631) 3.426 2.130 ( -5.253 -2.140 -0.003) 5.672 2.277 ( 0.455 3.871 -0.885) 3.997 2.326 ( -1.511 -1.121 -0.176) 1.890 2.429 ( -3.317 1.433 -1.087) 3.773 2.435 ( -0.469 1.383 -1.623) 2.183 2.498 ( -1.586 1.659 -4.082) 4.683 2.537 ( -0.088 -0.920 -3.036) 3.174 2.822 ( -2.751 2.853 -4.812) 6.234 2.851 ( -3.937 -0.948 -4.813) 6.290 2.924 ( 1.761 2.171 5.129) 5.841 2.967 ( 1.867 -2.309 2.294) 3.752 3.027 ( -4.973 0.664 -4.387) 6.665 3.047 ( -3.736 -1.282 -8.813) 9.658 3.208 ( 1.678 0.811 0.309) 1.889 3.228 ( -0.994 -1.239 0.412) 1.641 3.694 ( 0.137 2.044 3.464) 4.025 3.722 ( -2.648 -1.150 1.931) 3.473 3.918 ( -2.200 8.995 -9.567) 13.315 4.065 ( -2.414 -2.230 -9.388) 9.947 4.155 ( 2.107 0.232 -5.840) 6.213 4.213 ( 0.307 -8.350 -1.410) 8.474 4.356 ( -2.709 4.288 2.841) 5.813 4.464 ( -3.866 -6.978 1.214) 8.070 5.125 ( -0.867 3.313 -4.085) 5.330 5.183 ( -1.675 -2.832 -5.322) 6.257 5.486 ( 0.929 16.183 1.658) 16.295 5.778 ( 0.877 -15.733 2.344) 15.930 6.363 ( 0.818 4.551 0.970) 4.725 6.402 ( 0.813 2.641 1.532) 3.160 6.507 ( 0.613 0.502 0.031) 0.792 6.598 ( -0.742 -7.079 -0.569) 7.141 7.126 ( 3.121 9.052 4.621) 10.632 7.248 ( 3.407 -4.256 4.621) 7.147 8.036 ( 0.717 4.511 -0.299) 4.577 8.158 ( 1.358 -8.406 1.156) 8.593 8.655 ( 1.600 2.298 0.666) 2.879 8.710 ( 1.382 -3.889 0.889) 4.223 9.144 ( -1.607 5.116 0.787) 5.420 9.225 ( -1.542 -3.775 0.506) 4.109 9.421 ( 1.595 1.626 0.600) 2.356 9.455 ( 2.195 -1.999 0.765) 3.066 9.833 ( 0.768 2.674 1.402) 3.115 9.872 ( 0.659 -1.517 1.481) 2.220 10.093 ( -1.733 1.019 1.116) 2.299 10.110 ( -0.620 -0.818 -0.275) 1.063 11.714 ( 2.457 1.096 1.184) 2.940 11.749 ( 1.768 -2.649 1.582) 3.556 12.443 ( 3.591 0.828 5.632) 6.731 12.455 ( 3.497 -0.471 5.633) 6.647 13.108 ( 0.214 3.157 -0.077) 3.165 13.136 ( 1.454 3.017 2.743) 4.329 13.161 ( 0.155 -1.682 -0.026) 1.689 13.198 ( 1.897 -2.989 2.957) 4.613 13.341 ( 1.404 3.827 0.500) 4.107 13.419 ( 1.666 -4.264 0.605) 4.618 13.592 ( -0.158 1.150 0.659) 1.335 13.610 ( 0.091 -0.779 0.653) 1.020 13.871 ( -0.933 0.253 -2.009) 2.230 13.878 ( -1.753 -0.439 -1.887) 2.613 14.071 ( -1.064 0.362 -1.827) 2.145 14.079 ( -1.698 -0.459 -1.863) 2.562 ======================= Grid point 145 (84/102) ======================= q-point: (-0.50 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -0.661 0.677 0.008) 0.946 1.701 ( -2.262 -3.875 2.191) 4.993 1.811 ( 0.372 2.895 1.742) 3.399 1.883 ( -2.775 -3.637 4.481) 6.404 1.975 ( -6.833 1.701 -3.499) 7.863 2.029 ( -6.864 -3.833 -1.380) 7.982 2.260 ( -3.479 2.650 -0.849) 4.455 2.275 ( -1.108 0.800 -0.994) 1.690 2.374 ( -1.819 5.019 -0.024) 5.338 2.448 ( -0.985 -2.329 -2.381) 3.473 2.521 ( 2.105 -0.151 -1.515) 2.598 2.527 ( 7.685 -1.437 -1.021) 7.885 2.697 ( -5.830 0.285 -3.064) 6.592 2.707 ( -6.303 -0.550 -3.246) 7.112 2.865 ( -4.169 1.664 -6.030) 7.518 2.905 ( -2.796 -2.538 -9.307) 10.043 3.029 ( 3.753 2.146 2.701) 5.097 3.044 ( 1.683 0.174 0.812) 1.877 3.187 ( -2.081 4.073 1.088) 4.702 3.266 ( 1.884 -4.174 2.642) 5.287 3.679 ( -2.286 1.806 1.141) 3.129 3.700 ( -1.287 0.293 3.237) 3.496 3.816 ( -3.037 7.463 -5.585) 9.803 3.965 ( -2.730 -5.578 -5.418) 8.241 4.105 ( -2.908 4.317 -5.425) 7.519 4.189 ( -1.231 -4.323 -3.816) 5.896 4.382 ( 2.032 1.576 3.033) 3.976 4.458 ( 3.099 -7.529 1.224) 8.233 5.082 ( -0.985 2.223 -2.926) 3.805 5.122 ( -0.915 -2.013 -4.279) 4.817 5.509 ( 0.252 16.223 1.411) 16.287 5.802 ( -0.018 -15.821 2.144) 15.965 6.376 ( -0.221 5.426 0.975) 5.517 6.423 ( -0.012 3.342 2.226) 4.015 6.503 ( -0.968 -1.248 -0.211) 1.593 6.582 ( -0.691 -6.820 -0.075) 6.855 7.189 ( 0.315 9.142 3.588) 9.826 7.312 ( 0.201 -4.473 3.583) 5.735 8.050 ( 0.845 5.476 -0.485) 5.562 8.189 ( 1.010 -9.247 0.703) 9.329 8.680 ( 0.104 2.228 0.666) 2.328 8.734 ( 0.239 -3.843 0.711) 3.916 9.134 ( 0.414 4.977 0.420) 5.012 9.214 ( 0.592 -3.729 0.052) 3.776 9.451 ( 0.830 2.250 0.338) 2.422 9.495 ( 0.997 -2.469 0.442) 2.699 9.853 ( 0.480 2.012 0.919) 2.264 9.886 ( -0.021 -1.521 1.280) 1.988 10.091 ( 0.948 2.298 0.542) 2.545 10.126 ( 2.516 -1.441 -0.959) 3.054 11.750 ( 0.257 1.000 0.962) 1.411 11.786 ( 0.866 -2.787 1.118) 3.125 12.526 ( 0.959 1.108 4.773) 4.993 12.543 ( 1.533 -0.689 4.473) 4.778 13.109 ( 0.012 2.921 -0.241) 2.931 13.155 ( 0.003 -1.519 0.132) 1.525 13.187 ( 1.125 2.931 1.811) 3.625 13.246 ( 1.019 -3.056 2.207) 3.905 13.362 ( 0.262 4.263 0.511) 4.302 13.444 ( 0.300 -4.307 0.531) 4.350 13.595 ( 0.167 1.413 0.464) 1.497 13.618 ( 0.381 -0.980 0.365) 1.113 13.839 ( -0.834 0.041 -1.441) 1.666 13.843 ( -0.589 -0.374 -1.604) 1.749 14.035 ( -1.462 -0.019 -1.222) 1.906 14.036 ( -1.361 -0.083 -1.226) 1.834 ======================= Grid point 146 (85/102) ======================= q-point: (-0.38 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( -7.146 0.386 4.338) 8.369 1.641 ( -7.220 -1.703 3.927) 8.393 1.785 ( -4.261 -0.402 1.110) 4.421 1.814 ( -8.329 -3.007 -0.248) 8.858 1.869 ( -0.783 1.570 4.223) 4.573 1.921 ( -0.022 -3.405 8.319) 8.989 2.219 ( -0.179 3.540 1.835) 3.991 2.262 ( 1.060 -0.764 0.687) 1.476 2.334 ( -1.854 4.965 -0.690) 5.344 2.417 ( -1.102 -3.779 -0.642) 3.988 2.552 ( 0.433 1.046 -1.925) 2.233 2.559 ( -2.450 -0.143 -2.104) 3.233 2.633 ( 0.429 2.079 2.621) 3.372 2.690 ( 3.202 -3.732 1.408) 5.115 2.799 ( 0.887 3.193 -2.336) 4.055 2.864 ( 3.639 -3.906 -3.390) 6.324 3.045 ( -1.240 2.345 0.650) 2.731 3.074 ( 0.319 -0.401 -1.583) 1.664 3.204 ( 2.092 6.410 2.905) 7.342 3.302 ( 0.519 -4.393 0.364) 4.438 3.594 ( -8.506 9.031 1.290) 12.473 3.679 ( -2.542 0.841 3.935) 4.760 3.787 ( 2.609 -0.319 -1.937) 3.265 3.885 ( -2.714 -9.250 -1.580) 9.768 4.029 ( -1.298 5.874 -0.886) 6.081 4.143 ( -0.964 -5.795 0.594) 5.904 4.456 ( 4.085 3.711 -0.776) 5.573 4.548 ( 4.637 -6.651 -0.909) 8.159 5.052 ( -0.668 2.540 -1.164) 2.873 5.097 ( 0.472 -2.239 -2.159) 3.146 5.512 ( -0.633 16.077 0.693) 16.104 5.803 ( -1.099 -15.701 1.366) 15.798 6.368 ( -1.123 5.663 0.843) 5.834 6.426 ( -1.283 5.596 2.237) 6.162 6.471 ( -2.003 -2.966 0.038) 3.579 6.570 ( -0.638 -7.542 0.614) 7.594 7.183 ( -2.753 8.593 2.126) 9.270 7.300 ( -3.292 -4.274 2.298) 5.864 8.061 ( 0.704 5.731 -1.135) 5.885 8.202 ( 0.184 -9.310 -0.454) 9.323 8.663 ( -1.976 2.576 0.455) 3.278 8.723 ( -1.703 -4.112 0.444) 4.473 9.166 ( 2.547 5.289 -0.154) 5.872 9.251 ( 2.956 -3.952 -0.529) 4.964 9.453 ( -0.530 2.028 -0.567) 2.172 9.493 ( -1.093 -2.201 -0.699) 2.555 9.865 ( 0.329 1.412 0.103) 1.453 9.891 ( -0.249 -1.312 0.700) 1.508 10.129 ( 2.794 3.584 -1.042) 4.663 10.186 ( 4.293 -2.473 -2.380) 5.496 11.738 ( -1.788 1.951 0.246) 2.657 11.793 ( -0.559 -3.930 -0.101) 3.971 12.533 ( -2.617 1.798 2.190) 3.858 12.560 ( -1.948 -1.129 1.675) 2.806 13.105 ( -0.193 3.132 -0.162) 3.142 13.156 ( 0.086 -1.948 0.021) 1.950 13.204 ( -0.160 2.908 0.169) 2.917 13.261 ( -0.537 -2.930 0.457) 3.014 13.355 ( -1.090 4.106 0.086) 4.249 13.435 ( -1.327 -4.197 0.040) 4.402 13.605 ( 0.596 1.566 0.236) 1.692 13.630 ( 0.687 -1.055 0.002) 1.259 13.829 ( 0.227 0.123 -0.411) 0.485 13.834 ( 0.637 -0.381 -0.364) 0.826 14.008 ( -0.980 0.180 0.485) 1.108 14.013 ( -0.474 -0.354 0.608) 0.849 ======================= Grid point 147 (86/102) ======================= q-point: (-0.25 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -15.532 0.659 7.365) 17.202 1.464 ( -9.273 -6.085 5.857) 12.543 1.748 ( 0.462 1.195 1.486) 1.962 1.790 ( 0.723 -3.514 3.090) 4.735 1.918 ( -0.833 4.272 8.635) 9.669 2.000 ( 0.257 -3.828 12.483) 13.059 2.261 ( 0.195 4.410 1.705) 4.732 2.305 ( 2.893 3.656 1.751) 4.980 2.349 ( 2.699 -1.692 2.285) 3.921 2.401 ( 1.179 -3.660 0.934) 3.957 2.541 ( 1.120 1.895 -0.701) 2.310 2.560 ( 1.162 -0.146 0.785) 1.410 2.677 ( 0.742 2.887 4.948) 5.776 2.721 ( -1.205 -1.901 3.738) 4.363 2.832 ( 2.211 5.645 -0.196) 6.066 2.941 ( 1.838 -5.271 0.366) 5.595 3.042 ( 2.074 4.044 1.870) 4.915 3.103 ( 4.523 -1.522 -0.687) 4.821 3.247 ( 0.111 3.246 0.641) 3.310 3.292 ( -0.399 -1.381 -1.903) 2.385 3.427 ( -8.714 10.685 4.712) 14.571 3.640 ( -4.991 -7.712 7.363) 11.773 3.835 ( 2.957 -0.802 -0.885) 3.189 3.863 ( 1.313 -5.228 -0.119) 5.392 4.073 ( 4.782 4.953 3.006) 7.512 4.187 ( 3.610 -6.822 4.813) 9.096 4.510 ( 2.244 4.898 -2.882) 6.110 4.607 ( 2.190 -5.984 -2.123) 6.716 5.044 ( 0.076 3.824 0.642) 3.878 5.109 ( 1.344 -3.182 0.128) 3.456 5.494 ( -1.355 15.580 -0.106) 15.639 5.776 ( -2.180 -15.266 0.447) 15.428 6.343 ( -1.810 4.828 0.621) 5.194 6.409 ( -1.234 8.337 0.981) 8.485 6.427 ( -2.839 -3.732 1.218) 4.845 6.569 ( -0.106 -8.611 1.372) 8.721 7.111 ( -5.288 7.973 0.685) 9.592 7.220 ( -5.594 -4.006 1.115) 6.970 8.064 ( 0.679 5.217 -1.860) 5.580 8.193 ( -0.328 -8.530 -1.654) 8.695 8.621 ( -2.214 2.686 0.565) 3.527 8.682 ( -2.444 -4.076 0.681) 4.801 9.221 ( 2.910 5.347 -0.879) 6.151 9.305 ( 2.699 -3.820 -1.380) 4.877 9.429 ( -0.962 1.040 -1.288) 1.915 9.453 ( -1.828 -1.395 -1.539) 2.767 9.863 ( -0.358 0.933 -0.914) 1.354 9.881 ( -0.983 -0.911 -0.269) 1.367 10.180 ( 3.197 4.295 -2.340) 5.843 10.250 ( 3.825 -3.189 -3.563) 6.124 11.691 ( -2.540 2.942 -0.725) 3.954 11.765 ( -1.559 -4.988 -1.492) 5.435 12.457 ( -5.258 2.365 -0.391) 5.779 12.493 ( -4.758 -1.457 -1.017) 5.079 13.099 ( -0.372 3.626 -0.013) 3.645 13.157 ( -0.169 -1.839 0.073) 1.848 13.184 ( -1.218 1.973 -1.511) 2.768 13.232 ( -2.004 -2.534 -1.194) 3.444 13.324 ( -1.715 3.579 -0.439) 3.993 13.398 ( -1.970 -4.002 -0.477) 4.486 13.618 ( 0.576 1.437 -0.180) 1.558 13.642 ( 0.559 -1.056 -0.508) 1.298 13.836 ( 0.449 1.221 0.617) 1.440 13.860 ( 1.500 -1.364 0.877) 2.209 14.010 ( 0.450 1.009 2.288) 2.540 14.030 ( 1.093 -1.068 2.526) 2.952 ======================= Grid point 148 (87/102) ======================= q-point: (-0.12 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -3.696 8.750 11.030) 14.556 1.440 ( 2.375 -11.167 6.732) 13.254 1.763 ( -1.913 3.709 3.663) 5.553 1.819 ( 0.715 -3.958 -0.660) 4.076 1.927 ( -2.793 6.132 7.963) 10.431 2.055 ( -2.942 -5.856 10.728) 12.572 2.262 ( -0.233 3.863 -0.232) 3.877 2.300 ( -2.891 -0.506 -0.658) 3.008 2.450 ( 4.519 2.127 3.202) 5.933 2.493 ( 3.842 -2.722 3.760) 6.026 2.566 ( 2.242 2.817 -1.106) 3.766 2.614 ( 3.320 -1.829 1.195) 3.975 2.676 ( -3.069 3.710 5.611) 7.394 2.743 ( -0.260 -2.390 5.688) 6.175 2.910 ( 5.238 2.367 0.982) 5.831 2.950 ( 0.919 -1.903 0.152) 2.119 3.121 ( 2.746 5.928 0.910) 6.596 3.191 ( 1.577 3.731 -1.401) 4.286 3.215 ( -0.568 -0.825 -2.086) 2.315 3.294 ( 1.643 -4.253 -1.113) 4.693 3.371 ( -1.949 9.703 13.453) 16.701 3.603 ( -4.312 -11.527 11.636) 16.936 3.888 ( 2.543 0.500 1.706) 3.103 3.934 ( 4.279 -3.476 1.550) 5.727 4.220 ( 7.314 4.018 1.862) 8.550 4.322 ( 6.021 -6.717 3.224) 9.580 4.507 ( -0.588 5.205 -1.527) 5.456 4.606 ( -1.000 -5.866 -1.413) 6.116 5.063 ( 1.140 4.918 1.598) 5.296 5.147 ( 1.925 -4.083 1.366) 4.716 5.464 ( -1.366 14.672 -0.316) 14.739 5.730 ( -2.320 -14.549 -0.032) 14.733 6.316 ( -1.020 3.482 0.715) 3.698 6.372 ( -2.238 -1.889 -0.259) 2.940 6.405 ( -0.654 8.812 1.989) 9.058 6.580 ( 0.144 -9.293 1.731) 9.454 6.999 ( -5.672 7.738 0.009) 9.594 7.109 ( -5.636 -4.229 0.519) 7.065 8.064 ( 0.608 4.312 -2.284) 4.917 8.172 ( -0.453 -7.264 -2.353) 7.648 8.592 ( -1.202 2.407 0.949) 2.853 8.646 ( -1.721 -3.647 1.287) 4.233 9.256 ( 1.247 4.734 -1.525) 5.127 9.324 ( 0.386 -2.443 -2.645) 3.621 9.409 ( -0.569 -0.029 -0.781) 0.967 9.419 ( -0.070 -1.038 -1.390) 1.737 9.837 ( -1.416 0.649 -1.521) 2.177 9.850 ( -1.492 -0.700 -1.058) 1.958 10.219 ( 2.297 3.929 -2.721) 5.303 10.282 ( 1.791 -2.811 -3.898) 5.128 11.637 ( -1.989 3.349 -1.314) 4.111 11.719 ( -1.647 -5.370 -2.311) 6.074 12.342 ( -5.184 2.542 -1.321) 5.923 12.380 ( -5.026 -1.553 -1.980) 5.620 13.090 ( -0.622 3.763 0.066) 3.815 13.132 ( -1.682 1.787 -1.429) 2.839 13.156 ( -1.299 -2.185 -0.882) 2.691 13.182 ( -1.215 -2.088 -1.408) 2.796 13.290 ( -1.229 3.248 -0.640) 3.531 13.360 ( -1.287 -3.867 -0.711) 4.137 13.621 ( -0.078 1.194 -0.621) 1.348 13.641 ( -0.215 -0.948 -0.853) 1.293 13.857 ( 0.995 2.029 1.338) 2.626 13.898 ( 1.429 -2.343 1.353) 3.059 14.050 ( 1.546 1.636 2.832) 3.618 14.078 ( 1.598 -1.398 3.064) 3.727 ======================= Grid point 165 (88/102) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 0.000 0.000 0.000) 0.000 1.378 ( 0.000 0.000 0.000) 0.000 1.727 ( -0.000 0.000 0.000) 0.000 1.981 ( 0.000 0.000 0.000) 0.000 1.998 ( 0.000 0.000 0.000) 0.000 2.078 ( 0.000 0.000 0.000) 0.000 2.255 ( 0.000 0.000 0.000) 0.000 2.331 ( -0.000 0.000 -0.000) 0.000 2.545 ( -0.000 0.000 0.000) 0.000 2.576 ( 0.000 0.000 0.000) 0.000 2.582 ( 0.000 0.000 -0.000) 0.000 2.712 ( 0.000 0.000 0.000) 0.000 2.807 ( 0.000 0.000 0.000) 0.000 2.813 ( 0.000 0.000 0.000) 0.000 2.935 ( 0.000 0.000 0.000) 0.000 2.953 ( 0.000 0.000 0.000) 0.000 2.955 ( -0.000 0.000 -0.000) 0.000 3.066 ( 0.000 0.000 0.000) 0.000 3.195 ( -0.000 0.000 0.000) 0.000 3.440 ( 0.000 0.000 0.000) 0.000 3.610 ( 0.000 0.000 -0.000) 0.000 3.721 ( 0.000 0.000 0.000) 0.000 4.128 ( 0.000 0.000 -0.000) 0.000 4.134 ( 0.000 0.000 0.000) 0.000 4.196 ( 0.000 0.000 0.000) 0.000 4.286 ( 0.000 0.000 0.000) 0.000 4.713 ( -0.000 0.000 0.000) 0.000 4.793 ( 0.000 0.000 0.000) 0.000 4.988 ( -0.000 0.000 -0.000) 0.000 5.021 ( 0.000 0.000 0.000) 0.000 5.296 ( -0.000 0.000 0.000) 0.000 6.165 ( 0.000 0.000 0.000) 0.000 6.223 ( -0.000 0.000 -0.000) 0.000 6.228 ( 0.000 0.000 0.000) 0.000 6.310 ( 0.000 0.000 0.000) 0.000 6.596 ( 0.000 0.000 0.000) 0.000 6.879 ( -0.000 0.000 0.000) 0.000 7.100 ( 0.000 0.000 0.000) 0.000 7.994 ( 0.000 0.000 0.000) 0.000 8.305 ( 0.000 0.000 0.000) 0.000 8.539 ( -0.000 0.000 0.000) 0.000 8.776 ( 0.000 0.000 0.000) 0.000 9.107 ( 0.000 0.000 0.000) 0.000 9.267 ( 0.000 0.000 0.000) 0.000 9.397 ( 0.000 0.000 0.000) 0.000 9.453 ( 0.000 0.000 0.000) 0.000 9.766 ( -0.000 0.000 0.000) 0.000 9.812 ( 0.000 0.000 0.000) 0.000 10.180 ( -0.000 0.000 -0.000) 0.000 10.229 ( 0.000 0.000 0.000) 0.000 11.557 ( 0.000 0.000 0.000) 0.000 11.780 ( 0.000 0.000 0.000) 0.000 12.199 ( 0.000 0.000 0.000) 0.000 12.298 ( 0.000 0.000 0.000) 0.000 12.995 ( -0.000 0.000 0.000) 0.000 13.036 ( -0.000 0.000 0.000) 0.000 13.137 ( 0.000 0.000 0.000) 0.000 13.154 ( -0.000 0.000 0.000) 0.000 13.276 ( -0.000 0.000 0.000) 0.000 13.414 ( -0.000 0.000 0.000) 0.000 13.578 ( -0.000 0.000 0.000) 0.000 13.634 ( 0.000 0.000 0.000) 0.000 13.856 ( -0.000 0.000 0.000) 0.000 14.032 ( -0.000 0.000 0.000) 0.000 14.039 ( 0.000 0.000 0.000) 0.000 14.175 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 167 (89/102) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 18.728 0.000 -6.406) 19.793 1.459 ( 7.380 0.000 0.289) 7.385 1.721 ( 0.716 0.000 -0.699) 1.001 1.988 ( 0.638 0.000 -0.047) 0.640 1.996 ( -0.465 0.000 1.100) 1.195 2.131 ( 3.969 0.000 0.013) 3.969 2.151 ( -5.710 0.000 -7.031) 9.057 2.357 ( -0.360 0.000 1.098) 1.155 2.456 ( -5.457 0.000 0.025) 5.457 2.488 ( -3.223 0.000 -8.614) 9.197 2.603 ( 0.204 0.000 2.103) 2.113 2.687 ( -5.389 0.000 -1.022) 5.485 2.729 ( -8.180 0.000 6.821) 10.650 2.819 ( 1.368 0.000 -2.200) 2.591 2.867 ( 2.936 0.000 -9.807) 10.237 2.942 ( 0.992 0.000 -0.162) 1.005 3.049 ( -1.732 0.000 1.134) 2.070 3.101 ( 5.183 0.000 -0.538) 5.211 3.220 ( 2.270 0.000 -0.809) 2.410 3.388 ( -4.620 0.000 0.048) 4.620 3.546 ( -2.148 0.000 -10.562) 10.779 3.720 ( 0.813 0.000 -2.731) 2.850 4.049 ( -6.955 0.000 -1.020) 7.029 4.155 ( -2.364 0.000 -3.369) 4.116 4.182 ( 2.087 0.000 5.847) 6.208 4.258 ( -2.151 0.000 -4.734) 5.199 4.648 ( -3.947 0.000 -4.780) 6.200 4.832 ( 1.462 0.000 3.828) 4.097 4.961 ( -1.599 0.000 -1.948) 2.520 5.005 ( -0.887 0.000 -0.421) 0.982 5.274 ( -1.138 0.000 -3.093) 3.296 6.173 ( -0.242 0.000 -0.027) 0.243 6.186 ( 1.647 0.000 0.892) 1.873 6.270 ( -1.127 0.000 -0.815) 1.391 6.354 ( 6.142 0.000 -0.657) 6.177 6.673 ( 5.141 0.000 3.586) 6.269 6.852 ( -1.757 0.000 -1.546) 2.340 7.150 ( 3.853 0.000 2.131) 4.403 7.986 ( -0.592 0.000 -0.153) 0.612 8.334 ( 1.862 0.000 2.212) 2.892 8.539 ( 0.438 0.000 -0.594) 0.738 8.791 ( 1.474 0.000 -0.109) 1.478 9.089 ( -2.091 0.000 0.884) 2.270 9.284 ( 1.059 0.000 1.685) 1.990 9.411 ( 1.103 0.000 0.726) 1.320 9.445 ( -0.788 0.000 -0.138) 0.800 9.762 ( -0.774 0.000 2.703) 2.812 9.841 ( 2.115 0.000 0.354) 2.144 10.146 ( -1.872 0.000 -2.139) 2.842 10.236 ( -1.466 0.000 3.954) 4.216 11.580 ( 2.179 0.000 0.436) 2.223 11.799 ( 1.066 0.000 2.155) 2.404 12.248 ( 4.138 0.000 1.684) 4.467 12.346 ( 3.534 0.000 3.013) 4.644 13.000 ( 0.576 0.000 -0.117) 0.588 13.046 ( 0.477 0.000 1.726) 1.791 13.142 ( 0.345 0.000 0.426) 0.548 13.185 ( 2.320 0.000 1.599) 2.818 13.281 ( 0.391 0.000 0.103) 0.405 13.429 ( 1.406 0.000 0.268) 1.431 13.580 ( -0.060 0.000 0.504) 0.508 13.636 ( -0.209 0.000 1.024) 1.045 13.849 ( -0.140 0.000 -1.506) 1.513 13.999 ( -2.646 0.000 -1.247) 2.925 14.038 ( 0.344 0.000 -1.562) 1.599 14.157 ( -1.279 0.000 -1.514) 1.982 ======================= Grid point 168 (90/102) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 5.806 0.000 -0.028) 5.806 1.648 ( 3.664 0.000 -2.624) 4.507 1.864 ( 13.140 0.000 -5.404) 14.208 1.987 ( 0.565 0.000 -2.753) 2.810 1.999 ( 0.782 0.000 -0.359) 0.861 2.039 ( 0.787 0.000 -4.339) 4.410 2.145 ( -1.633 0.000 -6.926) 7.116 2.279 ( -4.865 0.000 -3.225) 5.837 2.411 ( 0.191 0.000 0.667) 0.693 2.416 ( -1.023 0.000 1.531) 1.841 2.499 ( -8.197 0.000 -4.714) 9.456 2.629 ( 1.989 0.000 -2.746) 3.391 2.660 ( -6.482 0.000 9.508) 11.507 2.811 ( 0.031 0.000 -5.894) 5.894 2.847 ( 2.147 0.000 -12.113) 12.302 2.980 ( 2.777 0.000 -0.474) 2.817 3.029 ( -0.987 0.000 2.070) 2.293 3.122 ( -2.944 0.000 -1.577) 3.340 3.231 ( -1.670 0.000 0.321) 1.701 3.317 ( -1.791 0.000 1.380) 2.260 3.439 ( 1.616 0.000 -14.182) 14.274 3.716 ( 0.851 0.000 -3.930) 4.021 3.882 ( -7.703 0.000 -1.347) 7.820 4.072 ( -3.716 0.000 -2.077) 4.257 4.125 ( -7.179 0.000 -5.853) 9.263 4.272 ( 2.532 0.000 5.538) 6.089 4.514 ( -5.144 0.000 -6.979) 8.670 4.879 ( 0.414 0.000 4.099) 4.120 4.930 ( -0.389 0.000 0.005) 0.389 4.999 ( 1.107 0.000 -1.931) 2.226 5.216 ( -2.204 0.000 -4.035) 4.598 6.202 ( 2.405 0.000 -0.362) 2.432 6.229 ( 1.667 0.000 1.073) 1.983 6.259 ( 0.841 0.000 -0.062) 0.844 6.462 ( 4.689 0.000 -0.749) 4.748 6.798 ( 4.371 0.000 3.731) 5.747 6.803 ( -1.923 0.000 -1.511) 2.446 7.259 ( 5.176 0.000 2.410) 5.709 7.974 ( -0.462 0.000 -0.101) 0.473 8.392 ( 1.999 0.000 2.900) 3.522 8.558 ( 1.970 0.000 -0.463) 2.024 8.833 ( 2.700 0.000 0.142) 2.703 9.039 ( -3.502 0.000 0.993) 3.640 9.315 ( 0.276 0.000 2.093) 2.111 9.417 ( -1.372 0.000 0.454) 1.445 9.458 ( 2.657 0.000 0.686) 2.744 9.776 ( 0.112 0.000 3.315) 3.317 9.884 ( 1.689 0.000 0.783) 1.861 10.097 ( -1.524 0.000 -1.658) 2.252 10.210 ( -3.857 0.000 4.368) 5.828 11.645 ( 3.770 0.000 0.573) 3.813 11.841 ( 1.175 0.000 2.913) 3.141 12.369 ( 6.135 0.000 2.519) 6.632 12.456 ( 4.557 0.000 4.250) 6.231 13.014 ( 0.892 0.000 -0.147) 0.904 13.076 ( 0.987 0.000 2.534) 2.720 13.154 ( 0.450 0.000 0.590) 0.742 13.249 ( 2.455 0.000 2.043) 3.194 13.291 ( 0.566 0.000 0.298) 0.640 13.471 ( 2.462 0.000 0.449) 2.503 13.578 ( -0.537 0.000 0.444) 0.697 13.637 ( -0.451 0.000 1.253) 1.332 13.837 ( 0.193 0.000 -1.842) 1.852 13.926 ( -3.342 0.000 -1.748) 3.772 14.033 ( 0.468 0.000 -2.275) 2.322 14.108 ( -2.200 0.000 -2.357) 3.224 ======================= Grid point 169 (91/102) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 0.801 0.000 -1.582) 1.774 1.706 ( 3.748 0.000 -0.258) 3.757 1.940 ( -2.815 0.000 -4.100) 4.973 1.994 ( 1.959 0.000 -4.991) 5.362 2.031 ( 0.661 0.000 1.284) 1.444 2.086 ( -0.163 0.000 -2.119) 2.125 2.107 ( 9.600 0.000 -5.090) 10.866 2.177 ( -2.759 0.000 -2.559) 3.763 2.312 ( -5.614 0.000 -4.713) 7.330 2.413 ( -0.839 0.000 -1.051) 1.345 2.488 ( 4.755 0.000 1.853) 5.103 2.597 ( -5.856 0.000 10.302) 11.850 2.620 ( -0.089 0.000 -4.227) 4.228 2.742 ( -2.758 0.000 -5.691) 6.324 2.806 ( 1.138 0.000 -9.774) 9.840 2.975 ( -8.936 0.000 -2.261) 9.218 2.998 ( -1.052 0.000 3.882) 4.022 3.042 ( 1.281 0.000 -1.306) 1.830 3.184 ( -3.653 0.000 -3.260) 4.896 3.347 ( 4.394 0.000 4.111) 6.017 3.474 ( 8.036 0.000 -8.965) 12.039 3.702 ( 0.971 0.000 -4.574) 4.676 3.772 ( -3.556 0.000 2.118) 4.139 3.946 ( -6.319 0.000 -3.898) 7.425 3.991 ( -3.872 0.000 0.728) 3.940 4.309 ( -2.529 0.000 -0.992) 2.716 4.407 ( -0.117 0.000 -1.825) 1.828 4.900 ( -0.374 0.000 2.581) 2.608 4.938 ( 0.634 0.000 0.418) 0.759 5.015 ( 1.327 0.000 -1.326) 1.876 5.145 ( -2.286 0.000 -2.764) 3.587 6.232 ( 1.139 0.000 -0.874) 1.436 6.258 ( 0.676 0.000 0.665) 0.949 6.304 ( 2.482 0.000 0.943) 2.655 6.523 ( 1.954 0.000 -0.714) 2.081 6.764 ( -1.144 0.000 -0.837) 1.417 6.882 ( 2.048 0.000 2.245) 3.039 7.365 ( 3.674 0.000 1.533) 3.981 7.967 ( -0.207 0.000 -0.051) 0.213 8.441 ( 1.167 0.000 1.952) 2.274 8.605 ( 2.550 0.000 -0.177) 2.556 8.892 ( 2.814 0.000 0.334) 2.834 8.974 ( -3.150 0.000 0.599) 3.206 9.306 ( -1.962 0.000 0.906) 2.162 9.404 ( -0.077 0.000 0.399) 0.407 9.523 ( 2.820 0.000 1.012) 2.996 9.801 ( 0.410 0.000 2.218) 2.255 9.914 ( 0.848 0.000 0.547) 1.009 10.069 ( -0.099 0.000 -1.716) 1.719 10.148 ( -4.611 0.000 3.666) 5.891 11.723 ( 3.340 0.000 0.241) 3.349 11.874 ( 0.408 0.000 2.117) 2.156 12.496 ( 4.665 0.000 1.691) 4.962 12.558 ( 2.822 0.000 3.231) 4.290 13.030 ( 0.709 0.000 -0.080) 0.714 13.110 ( 0.793 0.000 1.838) 2.002 13.165 ( 0.288 0.000 0.411) 0.502 13.290 ( 0.724 0.000 0.360) 0.808 13.313 ( 1.013 0.000 1.321) 1.665 13.521 ( 2.029 0.000 0.348) 2.059 13.564 ( -0.829 0.000 0.025) 0.829 13.635 ( -0.323 0.000 0.690) 0.761 13.834 ( 0.374 0.000 -1.014) 1.080 13.858 ( -2.188 0.000 -1.283) 2.537 14.028 ( 0.326 0.000 -1.644) 1.676 14.052 ( -1.728 0.000 -1.795) 2.492 ======================= Grid point 170 (92/102) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -0.000 0.000 0.000) 0.000 1.765 ( -0.000 0.000 0.000) 0.000 1.858 ( -0.000 0.000 0.000) 0.000 2.032 ( -0.000 0.000 0.000) 0.000 2.035 ( -0.000 0.000 0.000) 0.000 2.049 ( -0.000 0.000 0.000) 0.000 2.139 ( -0.000 0.000 0.000) 0.000 2.194 ( -0.000 0.000 0.000) 0.000 2.266 ( -0.000 0.000 0.000) 0.000 2.392 ( -0.000 0.000 0.000) 0.000 2.549 ( -0.000 0.000 0.000) 0.000 2.577 ( -0.000 0.000 -0.000) 0.000 2.614 ( -0.000 0.000 0.000) 0.000 2.670 ( -0.000 0.000 0.000) 0.000 2.770 ( 0.000 0.000 0.000) 0.000 2.857 ( -0.000 0.000 0.000) 0.000 3.021 ( -0.000 0.000 0.000) 0.000 3.048 ( -0.000 0.000 0.000) 0.000 3.110 ( 0.000 0.000 0.000) 0.000 3.418 ( -0.000 0.000 0.000) 0.000 3.555 ( -0.000 0.000 0.000) 0.000 3.704 ( 0.000 0.000 -0.000) 0.000 3.744 ( -0.000 0.000 0.000) 0.000 3.864 ( -0.000 0.000 0.000) 0.000 3.946 ( -0.000 0.000 -0.000) 0.000 4.253 ( -0.000 0.000 0.000) 0.000 4.420 ( -0.000 0.000 0.000) 0.000 4.903 ( -0.000 0.000 0.000) 0.000 4.948 ( -0.000 0.000 0.000) 0.000 5.025 ( -0.000 0.000 0.000) 0.000 5.110 ( -0.000 0.000 0.000) 0.000 6.241 ( -0.000 0.000 0.000) 0.000 6.266 ( 0.000 0.000 0.000) 0.000 6.336 ( -0.000 0.000 0.000) 0.000 6.538 ( -0.000 0.000 -0.000) 0.000 6.750 ( -0.000 0.000 0.000) 0.000 6.909 ( -0.000 0.000 0.000) 0.000 7.409 ( -0.000 0.000 0.000) 0.000 7.965 ( -0.000 0.000 0.000) 0.000 8.459 ( -0.000 0.000 0.000) 0.000 8.635 ( -0.000 0.000 0.000) 0.000 8.927 ( -0.000 0.000 0.000) 0.000 8.941 ( -0.000 0.000 0.000) 0.000 9.282 ( -0.000 0.000 0.000) 0.000 9.407 ( -0.000 0.000 0.000) 0.000 9.559 ( -0.000 0.000 0.000) 0.000 9.814 ( -0.000 0.000 0.000) 0.000 9.924 ( -0.000 0.000 0.000) 0.000 10.069 ( 0.000 0.000 -0.000) 0.000 10.103 ( -0.000 0.000 0.000) 0.000 11.760 ( -0.000 0.000 0.000) 0.000 11.884 ( -0.000 0.000 0.000) 0.000 12.552 ( -0.000 0.000 0.000) 0.000 12.597 ( -0.000 0.000 0.000) 0.000 13.038 ( -0.000 0.000 0.000) 0.000 13.125 ( -0.000 0.000 0.000) 0.000 13.169 ( -0.000 0.000 0.000) 0.000 13.297 ( -0.000 0.000 0.000) 0.000 13.329 ( -0.000 0.000 0.000) 0.000 13.544 ( -0.000 0.000 0.000) 0.000 13.555 ( -0.000 0.000 0.000) 0.000 13.634 ( -0.000 0.000 0.000) 0.000 13.831 ( -0.000 0.000 0.000) 0.000 13.835 ( -0.000 0.000 0.000) 0.000 14.025 ( -0.000 0.000 0.000) 0.000 14.028 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 175 (93/102) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 0.000 8.224 0.000) 8.224 1.503 ( -0.000 11.759 0.000) 11.759 1.694 ( -0.000 -3.086 0.000) 3.086 1.865 ( 0.000 -6.111 0.000) 6.111 2.087 ( 0.000 0.184 0.000) 0.184 2.102 ( 0.000 4.852 0.000) 4.852 2.252 ( 0.000 -1.506 0.000) 1.506 2.265 ( -0.000 -5.482 -0.000) 5.482 2.503 ( 0.000 -1.220 0.000) 1.220 2.572 ( 0.000 0.145 0.000) 0.145 2.614 ( 0.000 2.234 0.000) 2.234 2.718 ( -0.000 -3.655 0.000) 3.655 2.753 ( 0.000 -4.112 -0.000) 4.112 2.837 ( 0.000 2.865 0.000) 2.865 2.909 ( 0.000 0.245 0.000) 0.245 2.974 ( 0.000 3.249 0.000) 3.249 3.023 ( -0.000 5.300 0.000) 5.300 3.136 ( 0.000 5.233 0.000) 5.233 3.167 ( -0.000 -2.798 0.000) 2.798 3.399 ( 0.000 -4.005 0.000) 4.005 3.625 ( 0.000 1.943 -0.000) 1.943 3.767 ( 0.000 4.034 0.000) 4.034 4.073 ( 0.000 -5.567 0.000) 5.567 4.104 ( 0.000 -2.625 0.000) 2.625 4.204 ( 0.000 1.006 0.000) 1.006 4.310 ( 0.000 1.075 0.000) 1.075 4.658 ( -0.000 -8.442 -0.000) 8.442 4.682 ( 0.000 -2.967 0.000) 2.967 5.029 ( -0.000 4.036 0.000) 4.036 5.194 ( 0.000 13.314 0.000) 13.314 5.272 ( -0.000 -2.557 0.000) 2.557 5.957 ( 0.000 -13.991 0.000) 13.991 6.274 ( -0.000 5.009 0.000) 5.009 6.318 ( 0.000 1.379 0.000) 1.379 6.324 ( -0.000 2.735 0.000) 2.735 6.660 ( 0.000 4.388 0.000) 4.388 6.852 ( -0.000 -1.277 0.000) 1.277 7.090 ( 0.000 -1.367 0.000) 1.367 7.999 ( 0.000 0.728 0.000) 0.728 8.241 ( 0.000 -6.036 0.000) 6.036 8.560 ( 0.000 1.881 0.000) 1.881 8.728 ( 0.000 -4.267 0.000) 4.267 9.157 ( 0.000 4.441 0.000) 4.441 9.271 ( 0.000 0.346 0.000) 0.346 9.395 ( 0.000 -0.215 0.000) 0.215 9.439 ( 0.000 -1.460 0.000) 1.460 9.771 ( -0.000 0.565 0.000) 0.565 9.815 ( 0.000 0.118 0.000) 0.118 10.187 ( -0.000 0.803 -0.000) 0.803 10.232 ( 0.000 0.157 0.000) 0.157 11.563 ( 0.000 0.780 0.000) 0.780 11.741 ( 0.000 -3.906 0.000) 3.906 12.220 ( 0.000 1.904 0.000) 1.904 12.294 ( 0.000 -0.374 0.000) 0.374 13.024 ( -0.000 3.055 -0.000) 3.055 13.045 ( -0.000 0.994 0.000) 0.994 13.141 ( -0.000 -1.384 0.000) 1.384 13.159 ( 0.000 2.061 0.000) 2.061 13.261 ( -0.000 -1.381 0.000) 1.381 13.393 ( -0.000 -2.295 0.000) 2.295 13.586 ( -0.000 0.834 0.000) 0.834 13.631 ( 0.000 -0.367 0.000) 0.367 13.867 ( -0.000 1.133 0.000) 1.133 13.988 ( 0.000 -2.669 0.000) 2.669 14.078 ( 0.000 2.162 0.000) 2.162 14.167 ( 0.000 -0.856 0.000) 0.856 ======================= Grid point 177 (94/102) ======================= q-point: ( 0.12 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 9.431 0.671 -7.162) 11.861 1.629 ( 3.693 3.514 -0.447) 5.117 1.712 ( 6.781 4.117 -0.090) 7.934 1.860 ( -0.626 -6.574 0.135) 6.605 2.049 ( -2.316 -4.231 -5.174) 7.074 2.108 ( 0.730 5.173 0.519) 5.250 2.222 ( 3.253 3.535 -1.734) 5.107 2.343 ( 2.011 -1.097 0.692) 2.393 2.458 ( -4.124 0.396 -1.219) 4.319 2.504 ( -3.665 1.750 -4.073) 5.752 2.604 ( -3.072 -1.633 1.540) 3.804 2.660 ( -6.558 -2.764 -0.798) 7.161 2.743 ( 1.527 1.467 0.475) 2.170 2.843 ( -0.054 0.845 -1.549) 1.766 2.848 ( -1.579 2.238 -4.443) 5.219 2.981 ( 1.622 0.707 -0.060) 1.770 3.059 ( 0.743 2.794 -2.093) 3.569 3.129 ( -0.265 2.398 0.573) 2.480 3.203 ( 2.718 -1.567 -0.088) 3.138 3.352 ( -4.362 -3.574 0.093) 5.639 3.565 ( -1.723 2.504 -10.359) 10.795 3.761 ( 0.342 3.508 -2.510) 4.327 4.031 ( -5.756 -2.021 -2.412) 6.560 4.092 ( 1.706 -6.615 -2.609) 7.313 4.158 ( -4.140 0.538 0.221) 4.181 4.320 ( 0.254 2.922 0.585) 2.991 4.575 ( -5.273 -6.848 -3.143) 9.197 4.697 ( -0.462 -6.366 1.436) 6.542 5.026 ( 0.568 3.875 -2.280) 4.531 5.184 ( -0.801 14.262 0.494) 14.293 5.253 ( -0.887 -2.097 -2.899) 3.686 5.982 ( 2.117 -13.566 0.819) 13.755 6.270 ( 0.322 5.648 -0.250) 5.662 6.286 ( -0.704 1.750 -0.934) 2.105 6.398 ( 4.544 1.523 0.258) 4.800 6.708 ( 2.679 0.128 1.383) 3.017 6.851 ( 0.892 2.792 0.155) 2.935 7.140 ( 3.960 -1.250 2.086) 4.647 7.993 ( -0.531 0.902 0.075) 1.049 8.263 ( 1.374 -6.666 1.845) 7.052 8.563 ( 0.557 2.045 -0.345) 2.147 8.740 ( 1.210 -4.429 -0.072) 4.592 9.143 ( -1.751 4.745 0.896) 5.137 9.286 ( 0.878 0.098 1.609) 1.835 9.406 ( 0.849 -0.506 0.746) 1.238 9.428 ( -0.835 -1.543 -0.094) 1.757 9.777 ( 0.009 1.410 2.219) 2.630 9.839 ( 1.838 -0.254 0.584) 1.945 10.156 ( -1.983 1.141 -1.386) 2.674 10.233 ( -1.603 -0.377 3.405) 3.782 11.586 ( 2.131 0.769 0.514) 2.323 11.760 ( 1.251 -3.835 1.856) 4.440 12.267 ( 3.975 1.852 1.923) 4.789 12.342 ( 3.532 -0.410 2.941) 4.614 13.029 ( 0.494 2.941 -0.154) 2.986 13.058 ( 0.732 1.318 1.761) 2.319 13.163 ( 0.237 1.732 0.525) 1.825 13.171 ( 2.158 -1.465 1.433) 2.976 13.268 ( 0.627 -1.064 0.135) 1.243 13.407 ( 1.370 -2.313 0.297) 2.704 13.588 ( -0.067 0.832 0.553) 1.001 13.633 ( -0.176 -0.364 0.957) 1.039 13.859 ( -0.238 1.060 -1.445) 1.808 13.970 ( -1.542 -2.312 -1.266) 3.054 14.063 ( -0.685 1.906 -1.549) 2.550 14.149 ( -1.269 -0.869 -1.533) 2.172 ======================= Grid point 178 (95/102) ======================= q-point: ( 0.25 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 10.445 -2.316 -4.687) 11.681 1.648 ( 2.616 -2.690 -1.264) 3.959 1.815 ( 2.045 -4.209 -4.879) 6.760 1.870 ( 1.758 -6.319 1.401) 6.707 2.024 ( 3.686 2.738 -6.508) 7.965 2.132 ( 1.171 6.004 0.134) 6.118 2.225 ( -3.184 4.844 -8.251) 10.084 2.314 ( -3.802 3.440 -2.954) 5.917 2.413 ( 3.118 0.142 -0.470) 3.157 2.428 ( -3.336 1.188 1.927) 4.032 2.498 ( -4.946 -0.272 -3.702) 6.184 2.568 ( -3.504 -3.050 3.020) 5.541 2.733 ( -2.691 4.536 0.843) 5.341 2.814 ( -0.519 0.443 -6.918) 6.951 2.846 ( 4.239 0.069 -7.900) 8.966 3.018 ( 1.333 1.844 -1.279) 2.610 3.021 ( -2.215 0.464 1.797) 2.890 3.101 ( -4.104 -1.811 -1.367) 4.689 3.225 ( -1.344 -0.580 0.869) 1.702 3.291 ( -0.634 -2.553 1.905) 3.248 3.479 ( 2.721 4.904 -13.753) 14.852 3.748 ( 0.033 2.536 -3.237) 4.112 3.874 ( -7.240 -0.826 -2.224) 7.619 4.048 ( -4.604 -1.413 -3.159) 5.759 4.088 ( -1.142 -3.663 -4.632) 6.014 4.324 ( -1.004 3.659 3.785) 5.359 4.444 ( -4.503 -6.594 -4.869) 9.352 4.688 ( -1.631 -8.734 2.742) 9.299 5.024 ( 0.890 2.709 -2.672) 3.908 5.172 ( -1.020 8.983 -1.081) 9.105 5.213 ( -0.580 5.089 -1.643) 5.379 6.040 ( 2.725 -13.481 0.986) 13.789 6.274 ( 0.286 3.584 -0.410) 3.619 6.298 ( 1.973 4.454 -0.035) 4.872 6.484 ( 3.812 -0.018 -0.293) 3.824 6.726 ( -0.661 -5.485 -0.718) 5.571 6.918 ( 4.013 9.200 2.536) 10.353 7.251 ( 5.180 -1.100 2.345) 5.792 7.984 ( -0.410 1.241 0.193) 1.321 8.310 ( 1.768 -7.663 2.398) 8.222 8.585 ( 1.812 2.113 -0.107) 2.786 8.773 ( 1.975 -4.919 0.222) 5.306 9.102 ( -2.784 5.383 0.953) 6.135 9.310 ( -0.312 -0.848 1.926) 2.128 9.407 ( -0.697 -0.717 0.627) 1.181 9.448 ( 2.435 -1.015 0.844) 2.770 9.798 ( 0.349 2.032 2.649) 3.357 9.881 ( 1.677 -0.403 0.877) 1.934 10.109 ( -1.770 1.282 -0.863) 2.350 10.204 ( -3.740 -0.736 3.965) 5.500 11.649 ( 3.564 0.569 0.671) 3.671 11.805 ( 1.504 -3.564 2.508) 4.610 12.386 ( 5.812 1.574 2.835) 6.656 12.452 ( 4.600 -0.418 4.167) 6.221 13.040 ( 0.711 2.657 -0.148) 2.755 13.094 ( 1.273 1.882 2.499) 3.377 13.170 ( 0.165 1.153 0.449) 1.248 13.233 ( 2.518 -1.665 2.135) 3.697 13.286 ( 0.981 -0.162 0.328) 1.047 13.448 ( 2.316 -2.445 0.484) 3.402 13.588 ( -0.430 0.933 0.553) 1.167 13.634 ( -0.392 -0.320 1.189) 1.292 13.844 ( -0.071 0.718 -1.810) 1.948 13.914 ( -2.743 -1.165 -1.728) 3.445 14.042 ( -0.115 0.869 -2.321) 2.481 14.101 ( -2.086 -0.752 -2.383) 3.255 ======================= Grid point 179 (96/102) ======================= q-point: ( 0.38 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 0.497 0.497 -1.591) 1.739 1.694 ( 5.480 -0.473 -0.933) 5.579 1.846 ( 0.010 -7.189 1.166) 7.283 1.944 ( 3.116 -5.917 -3.367) 7.487 1.986 ( -0.000 -0.062 -7.676) 7.676 2.134 ( -0.238 -1.024 -4.795) 4.909 2.170 ( 3.238 7.067 0.967) 7.834 2.223 ( -2.263 4.270 -3.755) 6.119 2.329 ( -3.868 1.766 -4.391) 6.113 2.420 ( -0.801 0.568 -0.571) 1.135 2.506 ( 1.896 0.826 1.892) 2.802 2.537 ( -1.587 -3.326 4.432) 5.764 2.683 ( -2.089 3.593 -0.655) 4.207 2.734 ( -2.509 -0.379 -6.918) 7.368 2.825 ( -0.554 1.375 -8.569) 8.696 2.944 ( -8.357 -2.584 -2.301) 9.045 3.008 ( -0.609 0.740 3.512) 3.641 3.042 ( 1.215 -0.035 -0.492) 1.312 3.199 ( -2.758 1.455 -1.655) 3.530 3.329 ( 2.988 -2.117 3.820) 5.292 3.523 ( 8.097 6.063 -9.208) 13.679 3.717 ( -0.318 0.867 -3.227) 3.356 3.768 ( -3.488 -0.522 1.923) 4.017 3.932 ( -4.293 0.776 -2.207) 4.889 4.026 ( -2.055 1.122 -2.979) 3.789 4.285 ( -3.883 -3.258 -2.418) 5.616 4.394 ( 1.155 -0.610 0.663) 1.464 4.672 ( -1.682 -11.531 2.450) 11.907 5.028 ( 0.857 1.345 -1.524) 2.206 5.121 ( -1.935 0.269 -2.431) 3.119 5.219 ( 0.519 14.770 0.604) 14.791 6.089 ( 1.564 -13.848 0.595) 13.948 6.280 ( 0.422 4.199 -0.255) 4.227 6.342 ( 2.026 3.795 0.385) 4.319 6.536 ( 1.622 -0.717 -0.498) 1.843 6.704 ( -0.702 -5.386 -0.609) 5.465 7.001 ( 2.407 10.450 1.778) 10.870 7.355 ( 3.602 -1.230 1.455) 4.075 7.979 ( -0.160 1.581 0.153) 1.597 8.355 ( 1.230 -8.182 1.616) 8.430 8.628 ( 2.217 1.831 0.089) 2.877 8.813 ( 1.440 -5.464 0.413) 5.666 9.057 ( -1.841 5.871 0.530) 6.176 9.289 ( -2.170 -1.904 0.807) 2.998 9.412 ( 0.475 0.915 0.619) 1.203 9.508 ( 2.528 -1.520 1.035) 3.126 9.820 ( 0.316 1.758 1.675) 2.448 9.912 ( 0.861 -0.432 0.537) 1.103 10.081 ( -0.323 1.245 -1.009) 1.635 10.145 ( -4.199 -0.324 3.370) 5.394 11.722 ( 3.056 0.078 0.326) 3.074 11.843 ( 0.724 -3.132 1.808) 3.688 12.508 ( 4.329 1.117 1.957) 4.880 12.556 ( 2.950 -0.291 3.149) 4.324 13.052 ( 0.532 2.270 -0.075) 2.333 13.132 ( 0.939 2.272 1.745) 3.015 13.174 ( 0.068 0.437 0.288) 0.528 13.286 ( 1.599 -0.832 1.263) 2.201 13.307 ( 0.664 0.270 0.569) 0.915 13.494 ( 1.725 -2.663 0.357) 3.193 13.579 ( -0.502 1.249 0.178) 1.358 13.633 ( -0.305 -0.283 0.672) 0.790 13.834 ( 0.056 0.056 -1.068) 1.071 13.854 ( -2.014 -0.447 -1.265) 2.420 14.028 ( 0.116 0.112 -1.685) 1.693 14.048 ( -1.555 -0.420 -1.813) 2.425 ======================= Grid point 180 (97/102) ======================= q-point: ( 0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -0.000 -0.607 0.000) 0.607 1.778 ( -0.000 2.583 0.000) 2.583 1.836 ( -0.000 -6.929 -0.000) 6.929 1.880 ( -0.000 -1.983 0.000) 1.983 2.011 ( -0.000 -3.229 0.000) 3.229 2.124 ( -0.000 -2.654 0.000) 2.654 2.178 ( -0.000 4.890 0.000) 4.890 2.233 ( -0.000 3.014 0.000) 3.014 2.286 ( -0.000 3.965 0.000) 3.965 2.400 ( -0.000 0.795 0.000) 0.795 2.547 ( -0.000 -0.621 -0.000) 0.621 2.548 ( -0.000 -1.985 0.000) 1.985 2.651 ( -0.000 2.179 0.000) 2.179 2.664 ( -0.000 -0.428 0.000) 0.428 2.768 ( -0.000 -0.095 0.000) 0.095 2.840 ( -0.000 -1.643 0.000) 1.643 3.031 ( -0.000 0.951 0.000) 0.951 3.054 ( -0.000 0.397 0.000) 0.397 3.140 ( 0.000 3.400 0.000) 3.400 3.381 ( -0.000 -3.557 0.000) 3.557 3.600 ( -0.000 4.956 0.000) 4.956 3.703 ( 0.000 -0.334 -0.000) 0.334 3.740 ( -0.000 -0.288 0.000) 0.288 3.881 ( -0.000 2.781 0.000) 2.781 3.990 ( -0.000 2.956 0.000) 2.956 4.225 ( -0.000 -2.988 0.000) 2.988 4.418 ( -0.000 -0.248 0.000) 0.248 4.660 ( -0.000 -13.235 0.000) 13.235 5.033 ( -0.000 0.779 0.000) 0.779 5.090 ( -0.000 -0.197 0.000) 0.197 5.227 ( -0.000 15.670 0.000) 15.670 6.107 ( -0.000 -13.997 0.000) 13.997 6.284 ( -0.000 4.476 0.000) 4.476 6.367 ( -0.000 3.403 0.000) 3.403 6.548 ( -0.000 -0.912 0.000) 0.912 6.695 ( -0.000 -5.093 0.000) 5.093 7.031 ( -0.000 10.823 0.000) 10.823 7.397 ( -0.000 -1.355 0.000) 1.355 7.978 ( -0.000 1.740 0.000) 1.740 8.373 ( -0.000 -8.306 0.000) 8.306 8.654 ( -0.000 1.592 0.000) 1.592 8.828 ( -0.000 -5.422 0.000) 5.422 9.042 ( -0.000 5.747 0.000) 5.747 9.264 ( -0.000 -1.933 0.000) 1.933 9.420 ( -0.000 1.411 0.000) 1.411 9.541 ( -0.000 -1.856 0.000) 1.856 9.829 ( -0.000 1.484 0.000) 1.484 9.922 ( -0.000 -0.510 0.000) 0.510 10.081 ( 0.000 1.163 -0.000) 1.163 10.104 ( -0.000 0.215 0.000) 0.215 11.756 ( -0.000 -0.247 0.000) 0.247 11.855 ( -0.000 -2.872 0.000) 2.872 12.561 ( -0.000 0.829 0.000) 0.829 12.596 ( -0.000 -0.137 0.000) 0.137 13.058 ( -0.000 2.075 0.000) 2.075 13.148 ( -0.000 2.264 0.000) 2.264 13.176 ( -0.000 0.296 0.000) 0.296 13.309 ( -0.000 1.752 0.000) 1.752 13.314 ( -0.000 -1.704 0.000) 1.704 13.512 ( -0.000 -2.647 0.000) 2.647 13.575 ( -0.000 1.334 0.000) 1.334 13.632 ( -0.000 -0.283 0.000) 0.283 13.828 ( -0.000 -0.313 0.000) 0.313 13.832 ( -0.000 -0.316 0.000) 0.316 14.024 ( 0.000 -0.095 0.000) 0.095 14.025 ( -0.000 -0.213 0.000) 0.213 ======================= Grid point 185 (98/102) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 0.000 8.613 0.000) 8.613 1.606 ( -0.000 -3.773 0.000) 3.773 1.737 ( 0.000 8.165 0.000) 8.165 1.792 ( 0.000 -1.406 0.000) 1.406 2.047 ( 0.000 -2.297 0.000) 2.297 2.108 ( -0.000 -5.622 0.000) 5.622 2.217 ( 0.000 0.061 0.000) 0.061 2.217 ( -0.000 0.099 -0.000) 0.099 2.532 ( 0.000 3.319 0.000) 3.319 2.576 ( 0.000 -0.682 0.000) 0.682 2.651 ( 0.000 1.067 0.000) 1.067 2.654 ( -0.000 -1.798 -0.000) 1.798 2.698 ( 0.000 -0.129 -0.000) 0.129 2.770 ( -0.000 -5.666 0.000) 5.666 3.017 ( 0.000 4.910 0.000) 4.910 3.063 ( 0.000 6.790 0.000) 6.790 3.085 ( 0.000 -1.366 0.000) 1.366 3.119 ( 0.000 -0.451 0.000) 0.451 3.216 ( 0.000 3.692 0.000) 3.692 3.306 ( 0.000 -5.930 0.000) 5.930 3.695 ( -0.000 5.937 -0.000) 5.937 3.802 ( 0.000 -2.803 0.000) 2.803 3.989 ( 0.000 -0.857 0.000) 0.857 4.039 ( 0.000 -4.153 0.000) 4.153 4.235 ( 0.000 2.517 0.000) 2.517 4.290 ( -0.000 -2.974 0.000) 2.974 4.581 ( 0.000 0.022 0.000) 0.022 4.621 ( 0.000 -3.391 0.000) 3.391 5.116 ( -0.000 5.174 0.000) 5.174 5.206 ( -0.000 -4.480 0.000) 4.480 5.445 ( 0.000 13.953 0.000) 13.953 5.700 ( 0.000 -14.110 0.000) 14.110 6.319 ( 0.000 1.055 0.000) 1.055 6.336 ( 0.000 -0.611 0.000) 0.611 6.435 ( -0.000 9.743 0.000) 9.743 6.613 ( -0.000 -8.488 0.000) 8.488 6.925 ( 0.000 7.403 0.000) 7.403 7.039 ( 0.000 -4.492 0.000) 4.492 8.032 ( 0.000 3.275 0.000) 3.275 8.122 ( 0.000 -6.306 0.000) 6.306 8.598 ( 0.000 2.357 0.000) 2.357 8.652 ( 0.000 -3.688 0.000) 3.688 9.234 ( 0.000 3.429 0.000) 3.429 9.271 ( 0.000 -0.680 0.000) 0.680 9.394 ( 0.000 0.244 0.000) 0.244 9.409 ( -0.000 -1.468 0.000) 1.468 9.787 ( 0.000 1.199 0.000) 1.199 9.808 ( 0.000 -0.922 0.000) 0.922 10.208 ( -0.000 1.340 0.000) 1.340 10.228 ( 0.000 -0.658 0.000) 0.658 11.593 ( 0.000 2.666 0.000) 2.666 11.659 ( 0.000 -4.462 0.000) 4.462 12.256 ( 0.000 1.837 0.000) 1.837 12.282 ( 0.000 -1.032 0.000) 1.032 13.071 ( -0.000 1.802 0.000) 1.802 13.093 ( -0.000 3.564 0.000) 3.564 13.110 ( -0.000 -1.253 0.000) 1.253 13.165 ( -0.000 -2.547 0.000) 2.547 13.266 ( -0.000 2.942 0.000) 2.942 13.335 ( -0.000 -3.854 0.000) 3.854 13.604 ( -0.000 1.017 0.000) 1.017 13.621 ( 0.000 -0.744 0.000) 0.744 13.896 ( -0.000 2.082 0.000) 2.082 13.940 ( 0.000 -2.611 0.000) 2.611 14.115 ( 0.000 1.867 0.000) 1.867 14.145 ( 0.000 -1.477 0.000) 1.477 ======================= Grid point 187 (99/102) ======================= q-point: ( 0.12 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 2.783 6.096 -8.103) 10.515 1.564 ( -0.922 -5.806 -4.747) 7.556 1.775 ( -0.618 -1.193 1.881) 2.312 1.792 ( 0.041 -1.433 -0.599) 1.553 2.070 ( 5.024 6.873 -3.371) 9.156 2.161 ( 2.026 -0.536 -0.649) 2.194 2.265 ( 5.269 1.381 0.210) 5.451 2.300 ( 5.633 -3.186 0.157) 6.473 2.494 ( -3.725 3.314 -1.147) 5.116 2.546 ( -3.341 2.589 -0.928) 4.327 2.555 ( -4.566 -3.002 -1.300) 5.617 2.602 ( -4.965 -3.302 0.602) 5.993 2.759 ( 5.330 1.703 -2.388) 6.084 2.812 ( 2.687 -3.385 -0.092) 4.323 2.955 ( -5.464 5.448 -4.481) 8.923 2.989 ( -1.654 0.562 -3.499) 3.911 3.105 ( 0.559 2.291 1.199) 2.646 3.162 ( -0.432 -2.380 1.890) 3.070 3.196 ( -0.276 3.706 -0.515) 3.751 3.274 ( -3.201 -4.593 0.529) 5.624 3.655 ( -0.347 7.437 -8.330) 11.172 3.784 ( -0.268 -3.528 -3.269) 4.818 3.976 ( -0.127 -2.578 -5.793) 6.342 3.992 ( -2.431 -2.946 -4.635) 6.006 4.196 ( -4.271 3.837 1.773) 6.009 4.289 ( -1.662 -5.550 2.910) 6.483 4.529 ( -3.679 2.501 -1.447) 4.678 4.603 ( -1.565 -4.716 -0.278) 4.977 5.109 ( 0.023 4.849 -2.556) 5.482 5.192 ( -0.536 -4.104 -2.829) 5.013 5.454 ( 0.772 14.837 0.610) 14.869 5.722 ( 1.862 -14.643 0.691) 14.777 6.323 ( 0.688 2.411 -0.074) 2.508 6.358 ( 1.516 -0.108 0.854) 1.744 6.444 ( 1.311 7.562 -1.210) 7.770 6.610 ( -0.089 -8.804 -0.952) 8.856 6.977 ( 4.218 8.070 2.028) 9.329 7.093 ( 4.256 -4.339 2.052) 6.415 8.031 ( -0.270 3.681 0.670) 3.751 8.131 ( 0.451 -6.992 1.336) 7.133 8.604 ( 0.708 2.529 -0.207) 2.635 8.661 ( 0.951 -3.866 -0.122) 3.983 9.228 ( -1.144 4.055 1.124) 4.361 9.278 ( 0.037 -1.392 1.439) 2.003 9.397 ( 0.164 -0.321 0.607) 0.706 9.402 ( -0.291 -1.001 0.004) 1.043 9.804 ( 1.061 1.502 1.424) 2.327 9.828 ( 1.469 -1.015 0.950) 2.022 10.186 ( -2.076 1.954 0.348) 2.872 10.218 ( -1.896 -1.371 2.079) 3.130 11.615 ( 1.940 2.610 0.788) 3.346 11.681 ( 1.608 -4.380 1.279) 4.838 12.303 ( 3.721 1.824 2.358) 4.768 12.329 ( 3.570 -1.062 2.720) 4.612 13.089 ( 1.207 2.519 0.829) 2.914 13.099 ( 0.378 3.771 0.813) 3.876 13.134 ( 1.827 -2.276 1.488) 3.276 13.165 ( -0.104 -2.442 0.178) 2.450 13.280 ( 1.200 3.035 0.337) 3.281 13.349 ( 1.286 -3.889 0.351) 4.111 13.606 ( -0.088 1.021 0.663) 1.221 13.622 ( -0.122 -0.751 0.809) 1.111 13.886 ( -0.518 1.921 -1.330) 2.393 13.926 ( -0.943 -2.378 -1.264) 2.853 14.097 ( -1.075 1.802 -1.577) 2.624 14.127 ( -1.220 -1.475 -1.568) 2.474 ======================= Grid point 188 (100/102) ======================= q-point: ( 0.25 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 10.442 0.247 -6.806) 12.467 1.580 ( 6.436 -3.299 -4.790) 8.675 1.755 ( -0.781 -1.311 -0.904) 1.774 1.779 ( -0.771 -3.541 0.146) 3.627 2.108 ( 0.604 5.125 -4.856) 7.086 2.176 ( -0.349 -1.486 -2.614) 3.027 2.307 ( -2.397 4.648 -3.507) 6.297 2.363 ( -0.049 0.184 -1.663) 1.674 2.410 ( -1.099 0.112 -3.197) 3.382 2.431 ( -3.786 -1.184 -3.066) 5.013 2.507 ( -1.005 1.472 0.162) 1.790 2.533 ( -3.034 -1.329 2.011) 3.875 2.807 ( -2.149 2.590 -3.719) 5.016 2.826 ( -1.493 0.194 -6.359) 6.535 2.867 ( 3.868 3.728 -3.487) 6.405 2.964 ( 1.125 -5.086 -0.195) 5.212 3.073 ( -4.661 1.681 -1.725) 5.247 3.083 ( -5.536 -0.067 -0.332) 5.546 3.218 ( -0.041 0.162 1.745) 1.753 3.241 ( 0.744 -2.359 2.299) 3.377 3.626 ( 4.382 10.437 -9.589) 14.835 3.762 ( -0.277 -2.283 -2.580) 3.456 3.865 ( -5.227 0.570 -4.591) 6.980 3.942 ( 0.675 -8.163 -9.164) 12.291 4.112 ( -3.876 5.380 -0.623) 6.660 4.244 ( -3.488 -8.674 -0.287) 9.354 4.457 ( -3.242 5.565 1.757) 6.675 4.563 ( -2.920 -5.927 1.836) 6.858 5.085 ( -0.360 3.715 -3.224) 4.932 5.149 ( -1.459 -3.159 -3.693) 5.074 5.482 ( 1.343 16.026 1.008) 16.114 5.770 ( 2.153 -15.587 0.959) 15.764 6.347 ( 1.523 4.305 0.202) 4.571 6.396 ( 1.578 2.507 1.153) 3.179 6.469 ( 1.972 2.033 -1.661) 3.284 6.597 ( -0.373 -8.262 -1.247) 8.364 7.092 ( 5.181 8.644 2.467) 10.375 7.208 ( 5.288 -4.029 2.294) 7.033 8.033 ( -0.035 4.629 0.972) 4.730 8.155 ( 0.912 -8.391 1.813) 8.633 8.627 ( 1.667 2.672 0.048) 3.149 8.688 ( 1.685 -4.135 0.162) 4.468 9.200 ( -2.377 4.958 1.130) 5.613 9.274 ( -1.694 -3.129 1.485) 3.855 9.405 ( 0.900 0.684 0.959) 1.482 9.426 ( 1.864 -1.334 0.989) 2.497 9.836 ( 0.930 1.987 1.559) 2.692 9.866 ( 1.460 -1.266 1.038) 2.193 10.143 ( -2.463 2.254 1.043) 3.497 10.181 ( -3.252 -1.762 2.821) 4.652 11.673 ( 2.982 2.244 1.030) 3.872 11.731 ( 2.208 -4.006 1.706) 4.882 12.416 ( 5.231 1.585 3.423) 6.449 12.440 ( 4.797 -0.971 3.898) 6.257 13.101 ( 0.307 3.674 -0.176) 3.691 13.139 ( 1.804 2.853 2.406) 4.145 13.161 ( -0.065 -2.310 0.005) 2.311 13.193 ( 2.307 -2.685 2.434) 4.296 13.314 ( 1.830 3.422 0.513) 3.914 13.387 ( 2.107 -4.041 0.551) 4.591 13.607 ( -0.325 1.097 0.780) 1.385 13.624 ( -0.313 -0.763 1.014) 1.307 13.862 ( -0.771 1.294 -1.745) 2.305 13.889 ( -1.714 -1.526 -1.711) 2.863 14.061 ( -1.034 1.193 -2.396) 2.870 14.083 ( -1.710 -1.163 -2.419) 3.182 ======================= Grid point 189 (101/102) ======================= q-point: ( 0.38 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 0.287 -0.001 -0.448) 0.532 1.687 ( 4.424 -2.430 -2.045) 5.446 1.772 ( 3.396 1.122 0.226) 3.583 1.838 ( 8.413 -5.084 -2.206) 10.075 2.020 ( -4.243 3.180 -6.927) 8.723 2.085 ( -3.805 -3.626 -5.454) 7.574 2.281 ( -0.781 4.252 -0.281) 4.332 2.301 ( -1.817 3.177 -3.296) 4.926 2.354 ( 0.273 1.428 -3.631) 3.911 2.411 ( 1.086 -2.612 -1.053) 3.019 2.494 ( -2.132 -0.216 4.039) 4.572 2.507 ( -0.115 -1.018 1.271) 1.632 2.730 ( -2.557 1.264 -3.634) 4.620 2.735 ( -2.712 0.279 -6.356) 6.916 2.850 ( -2.859 1.784 -7.183) 7.934 2.894 ( -6.353 -2.785 -4.946) 8.519 3.026 ( 0.320 1.046 3.235) 3.414 3.039 ( 0.951 -0.404 1.584) 1.891 3.232 ( -0.615 2.191 1.092) 2.524 3.279 ( 1.321 -2.928 2.788) 4.254 3.684 ( 4.661 8.856 -7.989) 12.805 3.731 ( 0.197 0.827 -0.490) 0.981 3.759 ( -3.581 1.711 -0.285) 3.979 3.909 ( 0.685 -7.108 -4.803) 8.606 4.056 ( -0.322 4.872 -3.201) 5.838 4.177 ( -1.953 -7.462 -2.140) 8.005 4.421 ( -1.874 3.592 2.734) 4.887 4.512 ( -3.607 -6.404 2.538) 7.776 5.060 ( -0.253 2.058 -1.980) 2.867 5.098 ( -1.406 -1.902 -2.405) 3.373 5.512 ( 0.950 16.522 0.723) 16.565 5.811 ( 1.230 -16.168 0.669) 16.228 6.376 ( 1.048 5.722 0.165) 5.819 6.434 ( 1.372 4.564 1.251) 4.927 6.490 ( 1.048 -2.359 -1.519) 2.995 6.584 ( -0.138 -7.388 -0.757) 7.428 7.191 ( 3.089 9.116 1.466) 9.736 7.310 ( 3.415 -4.114 1.350) 5.515 8.041 ( 0.162 5.626 0.693) 5.671 8.184 ( 0.815 -9.568 1.243) 9.683 8.665 ( 1.833 2.456 0.247) 3.075 8.724 ( 1.521 -4.093 0.358) 4.381 9.158 ( -2.013 5.059 0.589) 5.476 9.238 ( -2.228 -3.644 0.690) 4.327 9.438 ( 1.293 1.849 0.889) 2.425 9.474 ( 1.958 -2.059 1.011) 3.016 9.857 ( 0.335 2.162 0.832) 2.341 9.893 ( 0.644 -1.646 0.493) 1.835 10.110 ( -1.289 1.706 0.731) 2.260 10.135 ( -2.875 -0.935 2.358) 3.834 11.734 ( 2.326 1.497 0.626) 2.836 11.779 ( 1.452 -3.336 1.175) 3.823 12.530 ( 3.728 1.142 2.472) 4.617 12.547 ( 3.263 -0.699 2.897) 4.419 13.104 ( 0.156 3.180 -0.087) 3.185 13.156 ( -0.144 -2.035 -0.041) 2.040 13.188 ( 1.309 3.220 1.717) 3.877 13.248 ( 1.551 -2.979 1.662) 3.747 13.351 ( 1.405 4.036 0.445) 4.297 13.430 ( 1.652 -4.211 0.455) 4.546 13.603 ( -0.388 1.295 0.398) 1.410 13.623 ( -0.311 -0.839 0.583) 1.068 13.837 ( -0.710 0.274 -1.167) 1.393 13.845 ( -1.495 -0.517 -1.226) 2.002 14.032 ( -0.423 0.290 -1.768) 1.841 14.039 ( -1.065 -0.476 -1.820) 2.162 ======================= Grid point 190 (102/102) ======================= q-point: ( 0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( -0.000 0.243 0.000) 0.243 1.701 ( -0.000 -5.546 0.000) 5.546 1.867 ( -0.000 6.056 0.000) 6.056 1.894 ( -0.000 1.570 0.000) 1.570 1.956 ( -0.000 -2.055 0.000) 2.055 2.021 ( -0.000 -7.122 0.000) 7.122 2.250 ( -0.000 2.936 0.000) 2.936 2.272 ( -0.000 0.706 0.000) 0.706 2.375 ( -0.000 4.198 0.000) 4.198 2.412 ( -0.000 0.030 0.000) 0.030 2.516 ( 0.000 -1.091 -0.000) 1.091 2.523 ( -0.000 -1.543 0.000) 1.543 2.662 ( -0.000 0.301 0.000) 0.301 2.669 ( -0.000 -0.086 0.000) 0.086 2.775 ( -0.000 1.093 0.000) 1.093 2.805 ( -0.000 -2.008 0.000) 2.008 3.049 ( -0.000 0.790 0.000) 0.790 3.057 ( -0.000 -0.128 0.000) 0.128 3.221 ( -0.000 4.869 0.000) 4.869 3.306 ( -0.000 -4.461 0.000) 4.461 3.698 ( -0.000 1.979 0.000) 1.979 3.699 ( 0.000 0.165 -0.000) 0.165 3.769 ( -0.000 6.714 0.000) 6.714 3.900 ( -0.000 -3.820 0.000) 3.820 4.047 ( -0.000 4.826 0.000) 4.826 4.148 ( -0.000 -5.309 0.000) 5.309 4.418 ( -0.000 0.716 0.000) 0.716 4.474 ( -0.000 -6.436 0.000) 6.436 5.051 ( -0.000 1.210 0.000) 1.210 5.074 ( -0.000 -1.207 0.000) 1.207 5.524 ( -0.000 16.632 0.000) 16.632 5.825 ( -0.000 -16.310 0.000) 16.310 6.387 ( -0.000 6.245 0.000) 6.245 6.456 ( -0.000 6.241 0.000) 6.241 6.492 ( -0.000 -4.869 -0.000) 4.869 6.581 ( -0.000 -7.038 0.000) 7.038 7.227 ( -0.000 9.370 0.000) 9.370 7.350 ( -0.000 -4.290 0.000) 4.290 8.045 ( -0.000 6.059 0.000) 6.059 8.197 ( -0.000 -10.005 0.000) 10.005 8.687 ( -0.000 2.213 0.000) 2.213 8.742 ( -0.000 -3.886 0.000) 3.886 9.139 ( -0.000 4.798 0.000) 4.798 9.215 ( -0.000 -3.487 0.000) 3.487 9.455 ( -0.000 2.329 0.000) 2.329 9.500 ( -0.000 -2.472 0.000) 2.472 9.862 ( -0.000 2.096 0.000) 2.096 9.900 ( -0.000 -1.830 0.000) 1.830 10.103 ( -0.000 0.932 0.000) 0.932 10.109 ( -0.000 0.148 0.000) 0.148 11.761 ( -0.000 1.025 0.000) 1.025 11.798 ( -0.000 -2.923 0.000) 2.923 12.578 ( -0.000 0.894 0.000) 0.894 12.591 ( -0.000 -0.516 0.000) 0.516 13.106 ( -0.000 2.947 0.000) 2.947 13.154 ( -0.000 -2.021 0.000) 2.021 13.208 ( -0.000 3.420 0.000) 3.420 13.269 ( -0.000 -3.066 0.000) 3.066 13.368 ( -0.000 4.353 0.000) 4.353 13.449 ( -0.000 -4.210 0.000) 4.210 13.600 ( -0.000 1.371 0.000) 1.371 13.622 ( -0.000 -0.901 0.000) 0.901 13.823 ( -0.000 -0.093 0.000) 0.093 13.826 ( -0.000 -0.305 0.000) 0.305 14.022 ( 0.000 -0.085 0.000) 0.085 14.022 ( -0.000 -0.095 0.000) 0.095 =================== 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 3/21120 10.0 577.580 841.115 720.986 0.000 35.507 0.000 3/21120 20.0 132.852 137.624 137.238 0.000 -3.844 0.000 3/21120 30.0 57.646 57.810 58.763 0.000 -1.456 0.000 3/21120 40.0 34.095 34.012 35.007 0.000 -0.607 0.000 3/21120 50.0 23.636 23.660 24.471 0.000 -0.278 0.000 3/21120 60.0 17.938 18.098 18.697 0.000 -0.130 0.000 3/21120 70.0 14.410 14.677 15.097 0.000 -0.055 0.000 3/21120 80.0 12.030 12.370 12.652 0.000 -0.015 0.000 3/21120 90.0 10.323 10.707 10.889 0.000 0.008 0.000 3/21120 100.0 9.043 9.452 9.560 0.000 0.022 0.000 3/21120 110.0 8.048 8.468 8.524 0.000 0.031 0.000 3/21120 120.0 7.253 7.676 7.694 0.000 0.036 0.000 3/21120 130.0 6.604 7.024 7.014 0.000 0.040 0.000 3/21120 140.0 6.064 6.477 6.447 0.000 0.042 0.000 3/21120 150.0 5.608 6.012 5.967 0.000 0.043 0.000 3/21120 160.0 5.217 5.611 5.555 0.000 0.044 0.000 3/21120 170.0 4.878 5.261 5.198 0.000 0.044 0.000 3/21120 180.0 4.581 4.954 4.885 0.000 0.044 0.000 3/21120 190.0 4.320 4.681 4.608 0.000 0.044 0.000 3/21120 200.0 4.087 4.438 4.362 0.000 0.044 0.000 3/21120 210.0 3.879 4.219 4.142 0.000 0.043 0.000 3/21120 220.0 3.691 4.021 3.943 0.000 0.043 0.000 3/21120 230.0 3.521 3.841 3.762 0.000 0.042 0.000 3/21120 240.0 3.367 3.677 3.598 0.000 0.042 0.000 3/21120 250.0 3.225 3.527 3.448 0.000 0.041 0.000 3/21120 260.0 3.096 3.388 3.310 0.000 0.040 0.000 3/21120 270.0 2.976 3.260 3.183 0.000 0.040 0.000 3/21120 280.0 2.866 3.142 3.066 0.000 0.039 0.000 3/21120 290.0 2.763 3.032 2.957 0.000 0.038 0.000 3/21120 300.0 2.668 2.929 2.855 0.000 0.037 0.000 3/21120 310.0 2.579 2.834 2.761 0.000 0.037 0.000 3/21120 320.0 2.496 2.744 2.672 0.000 0.036 0.000 3/21120 330.0 2.419 2.660 2.589 0.000 0.035 0.000 3/21120 340.0 2.346 2.581 2.512 0.000 0.035 0.000 3/21120 350.0 2.277 2.507 2.438 0.000 0.034 0.000 3/21120 360.0 2.212 2.436 2.369 0.000 0.033 0.000 3/21120 370.0 2.151 2.370 2.304 0.000 0.033 0.000 3/21120 380.0 2.093 2.307 2.243 0.000 0.032 0.000 3/21120 390.0 2.039 2.248 2.184 0.000 0.031 0.000 3/21120 400.0 1.987 2.191 2.129 0.000 0.031 0.000 3/21120 410.0 1.938 2.138 2.076 0.000 0.030 0.000 3/21120 420.0 1.891 2.086 2.026 0.000 0.030 0.000 3/21120 430.0 1.846 2.038 1.978 0.000 0.029 0.000 3/21120 440.0 1.803 1.991 1.933 0.000 0.029 0.000 3/21120 450.0 1.763 1.947 1.889 0.000 0.028 0.000 3/21120 460.0 1.724 1.904 1.848 0.000 0.028 0.000 3/21120 470.0 1.687 1.864 1.808 0.000 0.027 0.000 3/21120 480.0 1.651 1.825 1.770 0.000 0.027 0.000 3/21120 490.0 1.617 1.787 1.734 0.000 0.026 0.000 3/21120 500.0 1.585 1.751 1.699 0.000 0.026 0.000 3/21120 510.0 1.553 1.717 1.665 0.000 0.025 0.000 3/21120 520.0 1.523 1.684 1.633 0.000 0.025 0.000 3/21120 530.0 1.494 1.652 1.602 0.000 0.025 0.000 3/21120 540.0 1.466 1.621 1.572 0.000 0.024 0.000 3/21120 550.0 1.439 1.592 1.543 0.000 0.024 0.000 3/21120 560.0 1.413 1.563 1.515 0.000 0.023 0.000 3/21120 570.0 1.388 1.536 1.489 0.000 0.023 0.000 3/21120 580.0 1.364 1.509 1.463 0.000 0.023 0.000 3/21120 590.0 1.341 1.484 1.438 0.000 0.022 0.000 3/21120 600.0 1.318 1.459 1.414 0.000 0.022 0.000 3/21120 610.0 1.297 1.435 1.391 0.000 0.022 0.000 3/21120 620.0 1.276 1.412 1.368 0.000 0.021 0.000 3/21120 630.0 1.255 1.389 1.346 0.000 0.021 0.000 3/21120 640.0 1.236 1.368 1.325 0.000 0.021 0.000 3/21120 650.0 1.216 1.347 1.305 0.000 0.021 0.000 3/21120 660.0 1.198 1.326 1.285 0.000 0.020 0.000 3/21120 670.0 1.180 1.306 1.266 0.000 0.020 0.000 3/21120 680.0 1.162 1.287 1.247 0.000 0.020 0.000 3/21120 690.0 1.146 1.269 1.229 0.000 0.020 0.000 3/21120 700.0 1.129 1.250 1.211 0.000 0.019 0.000 3/21120 710.0 1.113 1.233 1.194 0.000 0.019 0.000 3/21120 720.0 1.098 1.216 1.177 0.000 0.019 0.000 3/21120 730.0 1.083 1.199 1.161 0.000 0.019 0.000 3/21120 740.0 1.068 1.183 1.145 0.000 0.018 0.000 3/21120 750.0 1.054 1.167 1.130 0.000 0.018 0.000 3/21120 760.0 1.040 1.152 1.115 0.000 0.018 0.000 3/21120 770.0 1.026 1.137 1.101 0.000 0.018 0.000 3/21120 780.0 1.013 1.122 1.087 0.000 0.017 0.000 3/21120 790.0 1.000 1.108 1.073 0.000 0.017 0.000 3/21120 800.0 0.987 1.094 1.059 0.000 0.017 0.000 3/21120 810.0 0.975 1.081 1.046 0.000 0.017 0.000 3/21120 820.0 0.963 1.067 1.033 0.000 0.017 0.000 3/21120 830.0 0.952 1.055 1.021 0.000 0.016 0.000 3/21120 840.0 0.940 1.042 1.009 0.000 0.016 0.000 3/21120 850.0 0.929 1.030 0.997 0.000 0.016 0.000 3/21120 860.0 0.918 1.018 0.985 0.000 0.016 0.000 3/21120 870.0 0.908 1.006 0.974 0.000 0.016 0.000 3/21120 880.0 0.897 0.995 0.963 0.000 0.016 0.000 3/21120 890.0 0.887 0.983 0.952 0.000 0.015 0.000 3/21120 900.0 0.878 0.973 0.941 0.000 0.015 0.000 3/21120 910.0 0.868 0.962 0.931 0.000 0.015 0.000 3/21120 920.0 0.858 0.951 0.921 0.000 0.015 0.000 3/21120 930.0 0.849 0.941 0.911 0.000 0.015 0.000 3/21120 940.0 0.840 0.931 0.901 0.000 0.015 0.000 3/21120 950.0 0.831 0.921 0.892 0.000 0.015 0.000 3/21120 960.0 0.823 0.912 0.883 0.000 0.014 0.000 3/21120 970.0 0.814 0.902 0.873 0.000 0.014 0.000 3/21120 980.0 0.806 0.893 0.864 0.000 0.014 0.000 3/21120 990.0 0.798 0.884 0.856 0.000 0.014 0.000 3/21120 1000.0 0.790 0.875 0.847 0.000 0.014 0.000 3/21120 Thermal conductivity related properties were written into "kappa-m858.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:27:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|