----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:12:49]------------------------- 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 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.017063739999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.759014710000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.090929570000000 Atomic positions (fractional): *1 S 0.12331708826371 0.25000000000000 0.59628981684767 32.065 2 S 0.87668291173629 0.75000000000000 0.40371018315233 32.065 3 S 0.62331708826371 0.25000000000000 0.90371018315233 32.065 4 S 0.37668291173629 0.75000000000000 0.09628981684767 32.065 *5 S 0.62106660432931 0.75000000000000 0.67717526647868 32.065 6 S 0.87893339567069 0.25000000000000 0.17717526647868 32.065 7 S 0.12106660432931 0.75000000000000 0.82282473352132 32.065 8 S 0.37893339567069 0.25000000000000 0.32282473352132 32.065 *9 Cu 0.25258046274117 0.25000000000000 0.17210610478800 63.546 10 Cu 0.75258046274117 0.25000000000000 0.32789389521200 63.546 11 Cu 0.74741953725883 0.75000000000000 0.82789389521200 63.546 12 Cu 0.24741953725883 0.75000000000000 0.67210610478800 63.546 *13 Sb 0.72111455408422 0.25000000000000 0.55810546883454 121.760 14 Sb 0.27888544591578 0.75000000000000 0.44189453116546 121.760 15 Sb 0.22111455408422 0.25000000000000 0.94189453116546 121.760 16 Sb 0.77888544591578 0.75000000000000 0.05810546883454 121.760 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.017063739999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.759014710000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.090929570000000 Atomic positions (fractional): *1 S 0.12331708826371 0.25000000000000 0.59628981684767 32.065 > 1 2 S 0.87668291173629 0.75000000000000 0.40371018315233 32.065 > 2 3 S 0.62331708826371 0.25000000000000 0.90371018315233 32.065 > 3 4 S 0.37668291173629 0.75000000000000 0.09628981684767 32.065 > 4 *5 S 0.62106660432931 0.75000000000000 0.67717526647868 32.065 > 5 6 S 0.87893339567069 0.25000000000000 0.17717526647868 32.065 > 6 7 S 0.12106660432931 0.75000000000000 0.82282473352132 32.065 > 7 8 S 0.37893339567069 0.25000000000000 0.32282473352132 32.065 > 8 *9 Cu 0.25258046274117 0.25000000000000 0.17210610478800 63.546 > 9 10 Cu 0.75258046274117 0.25000000000000 0.32789389521200 63.546 > 10 11 Cu 0.74741953725883 0.75000000000000 0.82789389521200 63.546 > 11 12 Cu 0.24741953725883 0.75000000000000 0.67210610478800 63.546 > 12 *13 Sb 0.72111455408422 0.25000000000000 0.55810546883454 121.760 > 13 14 Sb 0.27888544591578 0.75000000000000 0.44189453116546 121.760 > 14 15 Sb 0.22111455408422 0.25000000000000 0.94189453116546 121.760 > 15 16 Sb 0.77888544591578 0.75000000000000 0.05810546883454 121.760 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.034127479999999 0.000000000000000 0.000000000000000 b 0.000000000000000 15.036058840000001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.090929570000000 Atomic positions (fractional): *1 S 0.06165854413186 0.06250000000000 0.59628981684767 32.065 > 1 2 S 0.56165854413186 0.06250000000000 0.59628981684767 32.065 > 1 3 S 0.06165854413186 0.31250000000000 0.59628981684767 32.065 > 1 4 S 0.56165854413186 0.31250000000000 0.59628981684767 32.065 > 1 5 S 0.06165854413186 0.56250000000000 0.59628981684767 32.065 > 1 6 S 0.56165854413186 0.56250000000000 0.59628981684767 32.065 > 1 7 S 0.06165854413186 0.81250000000000 0.59628981684767 32.065 > 1 8 S 0.56165854413186 0.81250000000000 0.59628981684767 32.065 > 1 9 S 0.43834145586814 0.18750000000000 0.40371018315233 32.065 > 2 10 S 0.93834145586814 0.18750000000000 0.40371018315233 32.065 > 2 11 S 0.43834145586814 0.43750000000000 0.40371018315233 32.065 > 2 12 S 0.93834145586814 0.43750000000000 0.40371018315233 32.065 > 2 13 S 0.43834145586814 0.68750000000000 0.40371018315233 32.065 > 2 14 S 0.93834145586814 0.68750000000000 0.40371018315233 32.065 > 2 15 S 0.43834145586814 0.93750000000000 0.40371018315233 32.065 > 2 16 S 0.93834145586814 0.93750000000000 0.40371018315233 32.065 > 2 17 S 0.31165854413186 0.06250000000000 0.90371018315233 32.065 > 3 18 S 0.81165854413186 0.06250000000000 0.90371018315233 32.065 > 3 19 S 0.31165854413186 0.31250000000000 0.90371018315233 32.065 > 3 20 S 0.81165854413186 0.31250000000000 0.90371018315233 32.065 > 3 21 S 0.31165854413186 0.56250000000000 0.90371018315233 32.065 > 3 22 S 0.81165854413186 0.56250000000000 0.90371018315233 32.065 > 3 23 S 0.31165854413186 0.81250000000000 0.90371018315233 32.065 > 3 24 S 0.81165854413186 0.81250000000000 0.90371018315233 32.065 > 3 25 S 0.18834145586814 0.18750000000000 0.09628981684767 32.065 > 4 26 S 0.68834145586814 0.18750000000000 0.09628981684767 32.065 > 4 27 S 0.18834145586814 0.43750000000000 0.09628981684767 32.065 > 4 28 S 0.68834145586814 0.43750000000000 0.09628981684767 32.065 > 4 29 S 0.18834145586814 0.68750000000000 0.09628981684767 32.065 > 4 30 S 0.68834145586814 0.68750000000000 0.09628981684767 32.065 > 4 31 S 0.18834145586814 0.93750000000000 0.09628981684767 32.065 > 4 32 S 0.68834145586814 0.93750000000000 0.09628981684767 32.065 > 4 *33 S 0.31053330216466 0.18750000000000 0.67717526647868 32.065 > 5 34 S 0.81053330216466 0.18750000000000 0.67717526647868 32.065 > 5 35 S 0.31053330216466 0.43750000000000 0.67717526647868 32.065 > 5 36 S 0.81053330216466 0.43750000000000 0.67717526647868 32.065 > 5 37 S 0.31053330216466 0.68750000000000 0.67717526647868 32.065 > 5 38 S 0.81053330216466 0.68750000000000 0.67717526647868 32.065 > 5 39 S 0.31053330216466 0.93750000000000 0.67717526647868 32.065 > 5 40 S 0.81053330216466 0.93750000000000 0.67717526647868 32.065 > 5 41 S 0.43946669783534 0.06250000000000 0.17717526647868 32.065 > 6 42 S 0.93946669783534 0.06250000000000 0.17717526647868 32.065 > 6 43 S 0.43946669783534 0.31250000000000 0.17717526647868 32.065 > 6 44 S 0.93946669783534 0.31250000000000 0.17717526647868 32.065 > 6 45 S 0.43946669783534 0.56250000000000 0.17717526647868 32.065 > 6 46 S 0.93946669783534 0.56250000000000 0.17717526647868 32.065 > 6 47 S 0.43946669783534 0.81250000000000 0.17717526647868 32.065 > 6 48 S 0.93946669783534 0.81250000000000 0.17717526647868 32.065 > 6 49 S 0.06053330216466 0.18750000000000 0.82282473352132 32.065 > 7 50 S 0.56053330216466 0.18750000000000 0.82282473352132 32.065 > 7 51 S 0.06053330216466 0.43750000000000 0.82282473352132 32.065 > 7 52 S 0.56053330216466 0.43750000000000 0.82282473352132 32.065 > 7 53 S 0.06053330216466 0.68750000000000 0.82282473352132 32.065 > 7 54 S 0.56053330216466 0.68750000000000 0.82282473352132 32.065 > 7 55 S 0.06053330216466 0.93750000000000 0.82282473352132 32.065 > 7 56 S 0.56053330216466 0.93750000000000 0.82282473352132 32.065 > 7 57 S 0.18946669783534 0.06250000000000 0.32282473352132 32.065 > 8 58 S 0.68946669783534 0.06250000000000 0.32282473352132 32.065 > 8 59 S 0.18946669783534 0.31250000000000 0.32282473352132 32.065 > 8 60 S 0.68946669783534 0.31250000000000 0.32282473352132 32.065 > 8 61 S 0.18946669783534 0.56250000000000 0.32282473352132 32.065 > 8 62 S 0.68946669783534 0.56250000000000 0.32282473352132 32.065 > 8 63 S 0.18946669783534 0.81250000000000 0.32282473352132 32.065 > 8 64 S 0.68946669783534 0.81250000000000 0.32282473352132 32.065 > 8 *65 Cu 0.12629023137058 0.06250000000000 0.17210610478800 63.546 > 9 66 Cu 0.62629023137058 0.06250000000000 0.17210610478800 63.546 > 9 67 Cu 0.12629023137058 0.31250000000000 0.17210610478800 63.546 > 9 68 Cu 0.62629023137058 0.31250000000000 0.17210610478800 63.546 > 9 69 Cu 0.12629023137058 0.56250000000000 0.17210610478800 63.546 > 9 70 Cu 0.62629023137058 0.56250000000000 0.17210610478800 63.546 > 9 71 Cu 0.12629023137058 0.81250000000000 0.17210610478800 63.546 > 9 72 Cu 0.62629023137058 0.81250000000000 0.17210610478800 63.546 > 9 73 Cu 0.37629023137058 0.06250000000000 0.32789389521200 63.546 > 10 74 Cu 0.87629023137058 0.06250000000000 0.32789389521200 63.546 > 10 75 Cu 0.37629023137058 0.31250000000000 0.32789389521200 63.546 > 10 76 Cu 0.87629023137058 0.31250000000000 0.32789389521200 63.546 > 10 77 Cu 0.37629023137058 0.56250000000000 0.32789389521200 63.546 > 10 78 Cu 0.87629023137058 0.56250000000000 0.32789389521200 63.546 > 10 79 Cu 0.37629023137058 0.81250000000000 0.32789389521200 63.546 > 10 80 Cu 0.87629023137058 0.81250000000000 0.32789389521200 63.546 > 10 81 Cu 0.37370976862942 0.18750000000000 0.82789389521200 63.546 > 11 82 Cu 0.87370976862942 0.18750000000000 0.82789389521200 63.546 > 11 83 Cu 0.37370976862942 0.43750000000000 0.82789389521200 63.546 > 11 84 Cu 0.87370976862942 0.43750000000000 0.82789389521200 63.546 > 11 85 Cu 0.37370976862942 0.68750000000000 0.82789389521200 63.546 > 11 86 Cu 0.87370976862942 0.68750000000000 0.82789389521200 63.546 > 11 87 Cu 0.37370976862942 0.93750000000000 0.82789389521200 63.546 > 11 88 Cu 0.87370976862942 0.93750000000000 0.82789389521200 63.546 > 11 89 Cu 0.12370976862942 0.18750000000000 0.67210610478800 63.546 > 12 90 Cu 0.62370976862942 0.18750000000000 0.67210610478800 63.546 > 12 91 Cu 0.12370976862942 0.43750000000000 0.67210610478800 63.546 > 12 92 Cu 0.62370976862942 0.43750000000000 0.67210610478800 63.546 > 12 93 Cu 0.12370976862942 0.68750000000000 0.67210610478800 63.546 > 12 94 Cu 0.62370976862942 0.68750000000000 0.67210610478800 63.546 > 12 95 Cu 0.12370976862942 0.93750000000000 0.67210610478800 63.546 > 12 96 Cu 0.62370976862942 0.93750000000000 0.67210610478800 63.546 > 12 *97 Sb 0.36055727704211 0.06250000000000 0.55810546883454 121.760 > 13 98 Sb 0.86055727704211 0.06250000000000 0.55810546883454 121.760 > 13 99 Sb 0.36055727704211 0.31250000000000 0.55810546883454 121.760 > 13 100 Sb 0.86055727704211 0.31250000000000 0.55810546883454 121.760 > 13 101 Sb 0.36055727704211 0.56250000000000 0.55810546883454 121.760 > 13 102 Sb 0.86055727704211 0.56250000000000 0.55810546883454 121.760 > 13 103 Sb 0.36055727704211 0.81250000000000 0.55810546883454 121.760 > 13 104 Sb 0.86055727704211 0.81250000000000 0.55810546883454 121.760 > 13 105 Sb 0.13944272295789 0.18750000000000 0.44189453116546 121.760 > 14 106 Sb 0.63944272295789 0.18750000000000 0.44189453116546 121.760 > 14 107 Sb 0.13944272295789 0.43750000000000 0.44189453116546 121.760 > 14 108 Sb 0.63944272295789 0.43750000000000 0.44189453116546 121.760 > 14 109 Sb 0.13944272295789 0.68750000000000 0.44189453116546 121.760 > 14 110 Sb 0.63944272295789 0.68750000000000 0.44189453116546 121.760 > 14 111 Sb 0.13944272295789 0.93750000000000 0.44189453116546 121.760 > 14 112 Sb 0.63944272295789 0.93750000000000 0.44189453116546 121.760 > 14 113 Sb 0.11055727704211 0.06250000000000 0.94189453116546 121.760 > 15 114 Sb 0.61055727704211 0.06250000000000 0.94189453116546 121.760 > 15 115 Sb 0.11055727704211 0.31250000000000 0.94189453116546 121.760 > 15 116 Sb 0.61055727704211 0.31250000000000 0.94189453116546 121.760 > 15 117 Sb 0.11055727704211 0.56250000000000 0.94189453116546 121.760 > 15 118 Sb 0.61055727704211 0.56250000000000 0.94189453116546 121.760 > 15 119 Sb 0.11055727704211 0.81250000000000 0.94189453116546 121.760 > 15 120 Sb 0.61055727704211 0.81250000000000 0.94189453116546 121.760 > 15 121 Sb 0.38944272295789 0.18750000000000 0.05810546883454 121.760 > 16 122 Sb 0.88944272295789 0.18750000000000 0.05810546883454 121.760 > 16 123 Sb 0.38944272295789 0.43750000000000 0.05810546883454 121.760 > 16 124 Sb 0.88944272295789 0.43750000000000 0.05810546883454 121.760 > 16 125 Sb 0.38944272295789 0.68750000000000 0.05810546883454 121.760 > 16 126 Sb 0.88944272295789 0.68750000000000 0.05810546883454 121.760 > 16 127 Sb 0.38944272295789 0.93750000000000 0.05810546883454 121.760 > 16 128 Sb 0.88944272295789 0.93750000000000 0.05810546883454 121.760 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 15.0354380 0.0000000 0.0000000 0.0000000 17.7527524 0.0000000 0.0000000 0.0000000 15.7195371 -------------------------- Born effective charges -------------------------- 1 S -2.7104456 0.0000000 0.3076990 0.0000000 -2.7584227 0.0000000 0.5692261 0.0000000 -1.9490183 2 S -2.7104456 0.0000000 0.3076990 0.0000000 -2.7584227 0.0000000 0.5692261 0.0000000 -1.9490183 3 S -2.7104456 0.0000000 -0.3076990 0.0000000 -2.7584227 0.0000000 -0.5692261 0.0000000 -1.9490183 4 S -2.7104456 0.0000000 -0.3076990 0.0000000 -2.7584227 0.0000000 -0.5692261 0.0000000 -1.9490183 5 S -1.0771274 0.0000000 0.3629834 0.0000000 -3.8372266 0.0000000 0.4080490 0.0000000 -1.3546373 6 S -1.0771274 0.0000000 -0.3629834 0.0000000 -3.8372266 0.0000000 -0.4080490 0.0000000 -1.3546373 7 S -1.0771274 0.0000000 -0.3629834 0.0000000 -3.8372266 0.0000000 -0.4080490 0.0000000 -1.3546373 8 S -1.0771274 0.0000000 0.3629834 0.0000000 -3.8372266 0.0000000 0.4080490 0.0000000 -1.3546373 9 Cu 0.4788451 0.0000000 0.2647299 0.0000000 1.0477129 0.0000000 -0.3505136 0.0000000 0.5221816 10 Cu 0.4788451 0.0000000 -0.2647299 0.0000000 1.0477129 0.0000000 0.3505136 0.0000000 0.5221816 11 Cu 0.4788451 0.0000000 0.2647299 0.0000000 1.0477129 0.0000000 -0.3505136 0.0000000 0.5221816 12 Cu 0.4788451 0.0000000 -0.2647299 0.0000000 1.0477129 0.0000000 0.3505136 0.0000000 0.5221816 13 Sb 3.3087279 0.0000000 -0.8884563 0.0000000 5.5479364 0.0000000 -1.2876062 0.0000000 2.7814739 14 Sb 3.3087279 0.0000000 -0.8884563 0.0000000 5.5479364 0.0000000 -1.2876062 0.0000000 2.7814739 15 Sb 3.3087279 0.0000000 0.8884563 0.0000000 5.5479364 0.0000000 1.2876062 0.0000000 2.7814739 16 Sb 3.3087279 0.0000000 0.8884563 0.0000000 5.5479364 0.0000000 1.2876062 0.0000000 2.7814739 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1268 Number of blocks in projector: 1268 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: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 188 Use standard eigh solver. Tree of FC basis block matrices: - (1268, 1248), data: False |-- (188, 184), data: True |-- (188, 184), data: True |-- (188, 184), data: True |-- (192, 192), data: True |-- (192, 192), data: True |-- (320, 312), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 1.758 Solver_block: 200 / 240 - Time: 1.723 Solver_block: 240 / 240 - Time: 0.761 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.271 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1268 Number of blocks in projector: 1268 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: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 188 Use standard eigh solver. Tree of FC basis block matrices: - (1268, 1248), data: False |-- (188, 184), data: True |-- (188, 184), data: True |-- (188, 184), data: True |-- (192, 192), data: True |-- (192, 192), data: True |-- (320, 312), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:13:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:13:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.017063739999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.759014710000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.090929570000000 Atomic positions (fractional): 1 S 0.12331708826371 0.25000000000000 0.59628981684767 32.065 2 S 0.87668291173629 0.75000000000000 0.40371018315233 32.065 3 S 0.62331708826371 0.25000000000000 0.90371018315233 32.065 4 S 0.37668291173629 0.75000000000000 0.09628981684767 32.065 5 S 0.62106660432931 0.75000000000000 0.67717526647868 32.065 6 S 0.87893339567069 0.25000000000000 0.17717526647868 32.065 7 S 0.12106660432931 0.75000000000000 0.82282473352132 32.065 8 S 0.37893339567069 0.25000000000000 0.32282473352132 32.065 9 Cu 0.25258046274117 0.25000000000000 0.17210610478800 63.546 10 Cu 0.75258046274117 0.25000000000000 0.32789389521200 63.546 11 Cu 0.74741953725883 0.75000000000000 0.82789389521200 63.546 12 Cu 0.24741953725883 0.75000000000000 0.67210610478800 63.546 13 Sb 0.72111455408422 0.25000000000000 0.55810546883454 121.760 14 Sb 0.27888544591578 0.75000000000000 0.44189453116546 121.760 15 Sb 0.22111455408422 0.25000000000000 0.94189453116546 121.760 16 Sb 0.77888544591578 0.75000000000000 0.05810546883454 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.034127479999999 0.000000000000000 0.000000000000000 b 0.000000000000000 15.036058840000001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.090929570000000 Atomic positions (fractional): 1 S 0.06165854413186 0.06250000000000 0.59628981684767 32.065 > 1 2 S 0.56165854413186 0.06250000000000 0.59628981684767 32.065 > 1 3 S 0.06165854413186 0.31250000000000 0.59628981684767 32.065 > 1 4 S 0.56165854413186 0.31250000000000 0.59628981684767 32.065 > 1 5 S 0.06165854413186 0.56250000000000 0.59628981684767 32.065 > 1 6 S 0.56165854413186 0.56250000000000 0.59628981684767 32.065 > 1 7 S 0.06165854413186 0.81250000000000 0.59628981684767 32.065 > 1 8 S 0.56165854413186 0.81250000000000 0.59628981684767 32.065 > 1 9 S 0.43834145586814 0.18750000000000 0.40371018315233 32.065 > 9 10 S 0.93834145586814 0.18750000000000 0.40371018315233 32.065 > 9 11 S 0.43834145586814 0.43750000000000 0.40371018315233 32.065 > 9 12 S 0.93834145586814 0.43750000000000 0.40371018315233 32.065 > 9 13 S 0.43834145586814 0.68750000000000 0.40371018315233 32.065 > 9 14 S 0.93834145586814 0.68750000000000 0.40371018315233 32.065 > 9 15 S 0.43834145586814 0.93750000000000 0.40371018315233 32.065 > 9 16 S 0.93834145586814 0.93750000000000 0.40371018315233 32.065 > 9 17 S 0.31165854413186 0.06250000000000 0.90371018315233 32.065 > 17 18 S 0.81165854413186 0.06250000000000 0.90371018315233 32.065 > 17 19 S 0.31165854413186 0.31250000000000 0.90371018315233 32.065 > 17 20 S 0.81165854413186 0.31250000000000 0.90371018315233 32.065 > 17 21 S 0.31165854413186 0.56250000000000 0.90371018315233 32.065 > 17 22 S 0.81165854413186 0.56250000000000 0.90371018315233 32.065 > 17 23 S 0.31165854413186 0.81250000000000 0.90371018315233 32.065 > 17 24 S 0.81165854413186 0.81250000000000 0.90371018315233 32.065 > 17 25 S 0.18834145586814 0.18750000000000 0.09628981684767 32.065 > 25 26 S 0.68834145586814 0.18750000000000 0.09628981684767 32.065 > 25 27 S 0.18834145586814 0.43750000000000 0.09628981684767 32.065 > 25 28 S 0.68834145586814 0.43750000000000 0.09628981684767 32.065 > 25 29 S 0.18834145586814 0.68750000000000 0.09628981684767 32.065 > 25 30 S 0.68834145586814 0.68750000000000 0.09628981684767 32.065 > 25 31 S 0.18834145586814 0.93750000000000 0.09628981684767 32.065 > 25 32 S 0.68834145586814 0.93750000000000 0.09628981684767 32.065 > 25 33 S 0.31053330216466 0.18750000000000 0.67717526647868 32.065 > 33 34 S 0.81053330216466 0.18750000000000 0.67717526647868 32.065 > 33 35 S 0.31053330216466 0.43750000000000 0.67717526647868 32.065 > 33 36 S 0.81053330216466 0.43750000000000 0.67717526647868 32.065 > 33 37 S 0.31053330216466 0.68750000000000 0.67717526647868 32.065 > 33 38 S 0.81053330216466 0.68750000000000 0.67717526647868 32.065 > 33 39 S 0.31053330216466 0.93750000000000 0.67717526647868 32.065 > 33 40 S 0.81053330216466 0.93750000000000 0.67717526647868 32.065 > 33 41 S 0.43946669783534 0.06250000000000 0.17717526647868 32.065 > 41 42 S 0.93946669783534 0.06250000000000 0.17717526647868 32.065 > 41 43 S 0.43946669783534 0.31250000000000 0.17717526647868 32.065 > 41 44 S 0.93946669783534 0.31250000000000 0.17717526647868 32.065 > 41 45 S 0.43946669783534 0.56250000000000 0.17717526647868 32.065 > 41 46 S 0.93946669783534 0.56250000000000 0.17717526647868 32.065 > 41 47 S 0.43946669783534 0.81250000000000 0.17717526647868 32.065 > 41 48 S 0.93946669783534 0.81250000000000 0.17717526647868 32.065 > 41 49 S 0.06053330216466 0.18750000000000 0.82282473352132 32.065 > 49 50 S 0.56053330216466 0.18750000000000 0.82282473352132 32.065 > 49 51 S 0.06053330216466 0.43750000000000 0.82282473352132 32.065 > 49 52 S 0.56053330216466 0.43750000000000 0.82282473352132 32.065 > 49 53 S 0.06053330216466 0.68750000000000 0.82282473352132 32.065 > 49 54 S 0.56053330216466 0.68750000000000 0.82282473352132 32.065 > 49 55 S 0.06053330216466 0.93750000000000 0.82282473352132 32.065 > 49 56 S 0.56053330216466 0.93750000000000 0.82282473352132 32.065 > 49 57 S 0.18946669783534 0.06250000000000 0.32282473352132 32.065 > 57 58 S 0.68946669783534 0.06250000000000 0.32282473352132 32.065 > 57 59 S 0.18946669783534 0.31250000000000 0.32282473352132 32.065 > 57 60 S 0.68946669783534 0.31250000000000 0.32282473352132 32.065 > 57 61 S 0.18946669783534 0.56250000000000 0.32282473352132 32.065 > 57 62 S 0.68946669783534 0.56250000000000 0.32282473352132 32.065 > 57 63 S 0.18946669783534 0.81250000000000 0.32282473352132 32.065 > 57 64 S 0.68946669783534 0.81250000000000 0.32282473352132 32.065 > 57 65 Cu 0.12629023137058 0.06250000000000 0.17210610478800 63.546 > 65 66 Cu 0.62629023137058 0.06250000000000 0.17210610478800 63.546 > 65 67 Cu 0.12629023137058 0.31250000000000 0.17210610478800 63.546 > 65 68 Cu 0.62629023137058 0.31250000000000 0.17210610478800 63.546 > 65 69 Cu 0.12629023137058 0.56250000000000 0.17210610478800 63.546 > 65 70 Cu 0.62629023137058 0.56250000000000 0.17210610478800 63.546 > 65 71 Cu 0.12629023137058 0.81250000000000 0.17210610478800 63.546 > 65 72 Cu 0.62629023137058 0.81250000000000 0.17210610478800 63.546 > 65 73 Cu 0.37629023137058 0.06250000000000 0.32789389521200 63.546 > 73 74 Cu 0.87629023137058 0.06250000000000 0.32789389521200 63.546 > 73 75 Cu 0.37629023137058 0.31250000000000 0.32789389521200 63.546 > 73 76 Cu 0.87629023137058 0.31250000000000 0.32789389521200 63.546 > 73 77 Cu 0.37629023137058 0.56250000000000 0.32789389521200 63.546 > 73 78 Cu 0.87629023137058 0.56250000000000 0.32789389521200 63.546 > 73 79 Cu 0.37629023137058 0.81250000000000 0.32789389521200 63.546 > 73 80 Cu 0.87629023137058 0.81250000000000 0.32789389521200 63.546 > 73 81 Cu 0.37370976862942 0.18750000000000 0.82789389521200 63.546 > 81 82 Cu 0.87370976862942 0.18750000000000 0.82789389521200 63.546 > 81 83 Cu 0.37370976862942 0.43750000000000 0.82789389521200 63.546 > 81 84 Cu 0.87370976862942 0.43750000000000 0.82789389521200 63.546 > 81 85 Cu 0.37370976862942 0.68750000000000 0.82789389521200 63.546 > 81 86 Cu 0.87370976862942 0.68750000000000 0.82789389521200 63.546 > 81 87 Cu 0.37370976862942 0.93750000000000 0.82789389521200 63.546 > 81 88 Cu 0.87370976862942 0.93750000000000 0.82789389521200 63.546 > 81 89 Cu 0.12370976862942 0.18750000000000 0.67210610478800 63.546 > 89 90 Cu 0.62370976862942 0.18750000000000 0.67210610478800 63.546 > 89 91 Cu 0.12370976862942 0.43750000000000 0.67210610478800 63.546 > 89 92 Cu 0.62370976862942 0.43750000000000 0.67210610478800 63.546 > 89 93 Cu 0.12370976862942 0.68750000000000 0.67210610478800 63.546 > 89 94 Cu 0.62370976862942 0.68750000000000 0.67210610478800 63.546 > 89 95 Cu 0.12370976862942 0.93750000000000 0.67210610478800 63.546 > 89 96 Cu 0.62370976862942 0.93750000000000 0.67210610478800 63.546 > 89 97 Sb 0.36055727704211 0.06250000000000 0.55810546883454 121.760 > 97 98 Sb 0.86055727704211 0.06250000000000 0.55810546883454 121.760 > 97 99 Sb 0.36055727704211 0.31250000000000 0.55810546883454 121.760 > 97 100 Sb 0.86055727704211 0.31250000000000 0.55810546883454 121.760 > 97 101 Sb 0.36055727704211 0.56250000000000 0.55810546883454 121.760 > 97 102 Sb 0.86055727704211 0.56250000000000 0.55810546883454 121.760 > 97 103 Sb 0.36055727704211 0.81250000000000 0.55810546883454 121.760 > 97 104 Sb 0.86055727704211 0.81250000000000 0.55810546883454 121.760 > 97 105 Sb 0.13944272295789 0.18750000000000 0.44189453116546 121.760 > 105 106 Sb 0.63944272295789 0.18750000000000 0.44189453116546 121.760 > 105 107 Sb 0.13944272295789 0.43750000000000 0.44189453116546 121.760 > 105 108 Sb 0.63944272295789 0.43750000000000 0.44189453116546 121.760 > 105 109 Sb 0.13944272295789 0.68750000000000 0.44189453116546 121.760 > 105 110 Sb 0.63944272295789 0.68750000000000 0.44189453116546 121.760 > 105 111 Sb 0.13944272295789 0.93750000000000 0.44189453116546 121.760 > 105 112 Sb 0.63944272295789 0.93750000000000 0.44189453116546 121.760 > 105 113 Sb 0.11055727704211 0.06250000000000 0.94189453116546 121.760 > 113 114 Sb 0.61055727704211 0.06250000000000 0.94189453116546 121.760 > 113 115 Sb 0.11055727704211 0.31250000000000 0.94189453116546 121.760 > 113 116 Sb 0.61055727704211 0.31250000000000 0.94189453116546 121.760 > 113 117 Sb 0.11055727704211 0.56250000000000 0.94189453116546 121.760 > 113 118 Sb 0.61055727704211 0.56250000000000 0.94189453116546 121.760 > 113 119 Sb 0.11055727704211 0.81250000000000 0.94189453116546 121.760 > 113 120 Sb 0.61055727704211 0.81250000000000 0.94189453116546 121.760 > 113 121 Sb 0.38944272295789 0.18750000000000 0.05810546883454 121.760 > 121 122 Sb 0.88944272295789 0.18750000000000 0.05810546883454 121.760 > 121 123 Sb 0.38944272295789 0.43750000000000 0.05810546883454 121.760 > 121 124 Sb 0.88944272295789 0.43750000000000 0.05810546883454 121.760 > 121 125 Sb 0.38944272295789 0.68750000000000 0.05810546883454 121.760 > 121 126 Sb 0.88944272295789 0.68750000000000 0.05810546883454 121.760 > 121 127 Sb 0.38944272295789 0.93750000000000 0.05810546883454 121.760 > 121 128 Sb 0.88944272295789 0.93750000000000 0.05810546883454 121.760 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 15.0354380 0.0000000 0.0000000 0.0000000 17.7527524 0.0000000 0.0000000 0.0000000 15.7195371 -------------------------- Born effective charges -------------------------- 1 S -2.7104456 0.0000000 0.3076990 0.0000000 -2.7584227 0.0000000 0.5692261 0.0000000 -1.9490183 2 S -2.7104456 0.0000000 0.3076990 0.0000000 -2.7584227 0.0000000 0.5692261 0.0000000 -1.9490183 3 S -2.7104456 0.0000000 -0.3076990 0.0000000 -2.7584227 0.0000000 -0.5692261 0.0000000 -1.9490183 4 S -2.7104456 0.0000000 -0.3076990 0.0000000 -2.7584227 0.0000000 -0.5692261 0.0000000 -1.9490183 5 S -1.0771274 0.0000000 0.3629834 0.0000000 -3.8372266 0.0000000 0.4080490 0.0000000 -1.3546373 6 S -1.0771274 0.0000000 -0.3629834 0.0000000 -3.8372266 0.0000000 -0.4080490 0.0000000 -1.3546373 7 S -1.0771274 0.0000000 -0.3629834 0.0000000 -3.8372266 0.0000000 -0.4080490 0.0000000 -1.3546373 8 S -1.0771274 0.0000000 0.3629834 0.0000000 -3.8372266 0.0000000 0.4080490 0.0000000 -1.3546373 9 Cu 0.4788451 0.0000000 0.2647299 0.0000000 1.0477129 0.0000000 -0.3505136 0.0000000 0.5221816 10 Cu 0.4788451 0.0000000 -0.2647299 0.0000000 1.0477129 0.0000000 0.3505136 0.0000000 0.5221816 11 Cu 0.4788451 0.0000000 0.2647299 0.0000000 1.0477129 0.0000000 -0.3505136 0.0000000 0.5221816 12 Cu 0.4788451 0.0000000 -0.2647299 0.0000000 1.0477129 0.0000000 0.3505136 0.0000000 0.5221816 13 Sb 3.3087279 0.0000000 -0.8884563 0.0000000 5.5479364 0.0000000 -1.2876062 0.0000000 2.7814739 14 Sb 3.3087279 0.0000000 -0.8884563 0.0000000 5.5479364 0.0000000 -1.2876062 0.0000000 2.7814739 15 Sb 3.3087279 0.0000000 0.8884563 0.0000000 5.5479364 0.0000000 1.2876062 0.0000000 2.7814739 16 Sb 3.3087279 0.0000000 0.8884563 0.0000000 5.5479364 0.0000000 1.2876062 0.0000000 2.7814739 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (xxx) 0.00000003 (xxx) 0.00000003 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zx) -0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:13:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:13:22]------------------------- 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 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.017063739999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.759014710000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.090929570000000 Atomic positions (fractional): 1 S 0.12331708826371 0.25000000000000 0.59628981684767 32.065 2 S 0.87668291173629 0.75000000000000 0.40371018315233 32.065 3 S 0.62331708826371 0.25000000000000 0.90371018315233 32.065 4 S 0.37668291173629 0.75000000000000 0.09628981684767 32.065 5 S 0.62106660432931 0.75000000000000 0.67717526647868 32.065 6 S 0.87893339567069 0.25000000000000 0.17717526647868 32.065 7 S 0.12106660432931 0.75000000000000 0.82282473352132 32.065 8 S 0.37893339567069 0.25000000000000 0.32282473352132 32.065 9 Cu 0.25258046274117 0.25000000000000 0.17210610478800 63.546 10 Cu 0.75258046274117 0.25000000000000 0.32789389521200 63.546 11 Cu 0.74741953725883 0.75000000000000 0.82789389521200 63.546 12 Cu 0.24741953725883 0.75000000000000 0.67210610478800 63.546 13 Sb 0.72111455408422 0.25000000000000 0.55810546883454 121.760 14 Sb 0.27888544591578 0.75000000000000 0.44189453116546 121.760 15 Sb 0.22111455408422 0.25000000000000 0.94189453116546 121.760 16 Sb 0.77888544591578 0.75000000000000 0.05810546883454 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.034127479999999 0.000000000000000 0.000000000000000 b 0.000000000000000 15.036058840000001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.090929570000000 Atomic positions (fractional): 1 S 0.06165854413186 0.06250000000000 0.59628981684767 32.065 > 1 2 S 0.56165854413186 0.06250000000000 0.59628981684767 32.065 > 1 3 S 0.06165854413186 0.31250000000000 0.59628981684767 32.065 > 1 4 S 0.56165854413186 0.31250000000000 0.59628981684767 32.065 > 1 5 S 0.06165854413186 0.56250000000000 0.59628981684767 32.065 > 1 6 S 0.56165854413186 0.56250000000000 0.59628981684767 32.065 > 1 7 S 0.06165854413186 0.81250000000000 0.59628981684767 32.065 > 1 8 S 0.56165854413186 0.81250000000000 0.59628981684767 32.065 > 1 9 S 0.43834145586814 0.18750000000000 0.40371018315233 32.065 > 9 10 S 0.93834145586814 0.18750000000000 0.40371018315233 32.065 > 9 11 S 0.43834145586814 0.43750000000000 0.40371018315233 32.065 > 9 12 S 0.93834145586814 0.43750000000000 0.40371018315233 32.065 > 9 13 S 0.43834145586814 0.68750000000000 0.40371018315233 32.065 > 9 14 S 0.93834145586814 0.68750000000000 0.40371018315233 32.065 > 9 15 S 0.43834145586814 0.93750000000000 0.40371018315233 32.065 > 9 16 S 0.93834145586814 0.93750000000000 0.40371018315233 32.065 > 9 17 S 0.31165854413186 0.06250000000000 0.90371018315233 32.065 > 17 18 S 0.81165854413186 0.06250000000000 0.90371018315233 32.065 > 17 19 S 0.31165854413186 0.31250000000000 0.90371018315233 32.065 > 17 20 S 0.81165854413186 0.31250000000000 0.90371018315233 32.065 > 17 21 S 0.31165854413186 0.56250000000000 0.90371018315233 32.065 > 17 22 S 0.81165854413186 0.56250000000000 0.90371018315233 32.065 > 17 23 S 0.31165854413186 0.81250000000000 0.90371018315233 32.065 > 17 24 S 0.81165854413186 0.81250000000000 0.90371018315233 32.065 > 17 25 S 0.18834145586814 0.18750000000000 0.09628981684767 32.065 > 25 26 S 0.68834145586814 0.18750000000000 0.09628981684767 32.065 > 25 27 S 0.18834145586814 0.43750000000000 0.09628981684767 32.065 > 25 28 S 0.68834145586814 0.43750000000000 0.09628981684767 32.065 > 25 29 S 0.18834145586814 0.68750000000000 0.09628981684767 32.065 > 25 30 S 0.68834145586814 0.68750000000000 0.09628981684767 32.065 > 25 31 S 0.18834145586814 0.93750000000000 0.09628981684767 32.065 > 25 32 S 0.68834145586814 0.93750000000000 0.09628981684767 32.065 > 25 33 S 0.31053330216466 0.18750000000000 0.67717526647868 32.065 > 33 34 S 0.81053330216466 0.18750000000000 0.67717526647868 32.065 > 33 35 S 0.31053330216466 0.43750000000000 0.67717526647868 32.065 > 33 36 S 0.81053330216466 0.43750000000000 0.67717526647868 32.065 > 33 37 S 0.31053330216466 0.68750000000000 0.67717526647868 32.065 > 33 38 S 0.81053330216466 0.68750000000000 0.67717526647868 32.065 > 33 39 S 0.31053330216466 0.93750000000000 0.67717526647868 32.065 > 33 40 S 0.81053330216466 0.93750000000000 0.67717526647868 32.065 > 33 41 S 0.43946669783534 0.06250000000000 0.17717526647868 32.065 > 41 42 S 0.93946669783534 0.06250000000000 0.17717526647868 32.065 > 41 43 S 0.43946669783534 0.31250000000000 0.17717526647868 32.065 > 41 44 S 0.93946669783534 0.31250000000000 0.17717526647868 32.065 > 41 45 S 0.43946669783534 0.56250000000000 0.17717526647868 32.065 > 41 46 S 0.93946669783534 0.56250000000000 0.17717526647868 32.065 > 41 47 S 0.43946669783534 0.81250000000000 0.17717526647868 32.065 > 41 48 S 0.93946669783534 0.81250000000000 0.17717526647868 32.065 > 41 49 S 0.06053330216466 0.18750000000000 0.82282473352132 32.065 > 49 50 S 0.56053330216466 0.18750000000000 0.82282473352132 32.065 > 49 51 S 0.06053330216466 0.43750000000000 0.82282473352132 32.065 > 49 52 S 0.56053330216466 0.43750000000000 0.82282473352132 32.065 > 49 53 S 0.06053330216466 0.68750000000000 0.82282473352132 32.065 > 49 54 S 0.56053330216466 0.68750000000000 0.82282473352132 32.065 > 49 55 S 0.06053330216466 0.93750000000000 0.82282473352132 32.065 > 49 56 S 0.56053330216466 0.93750000000000 0.82282473352132 32.065 > 49 57 S 0.18946669783534 0.06250000000000 0.32282473352132 32.065 > 57 58 S 0.68946669783534 0.06250000000000 0.32282473352132 32.065 > 57 59 S 0.18946669783534 0.31250000000000 0.32282473352132 32.065 > 57 60 S 0.68946669783534 0.31250000000000 0.32282473352132 32.065 > 57 61 S 0.18946669783534 0.56250000000000 0.32282473352132 32.065 > 57 62 S 0.68946669783534 0.56250000000000 0.32282473352132 32.065 > 57 63 S 0.18946669783534 0.81250000000000 0.32282473352132 32.065 > 57 64 S 0.68946669783534 0.81250000000000 0.32282473352132 32.065 > 57 65 Cu 0.12629023137058 0.06250000000000 0.17210610478800 63.546 > 65 66 Cu 0.62629023137058 0.06250000000000 0.17210610478800 63.546 > 65 67 Cu 0.12629023137058 0.31250000000000 0.17210610478800 63.546 > 65 68 Cu 0.62629023137058 0.31250000000000 0.17210610478800 63.546 > 65 69 Cu 0.12629023137058 0.56250000000000 0.17210610478800 63.546 > 65 70 Cu 0.62629023137058 0.56250000000000 0.17210610478800 63.546 > 65 71 Cu 0.12629023137058 0.81250000000000 0.17210610478800 63.546 > 65 72 Cu 0.62629023137058 0.81250000000000 0.17210610478800 63.546 > 65 73 Cu 0.37629023137058 0.06250000000000 0.32789389521200 63.546 > 73 74 Cu 0.87629023137058 0.06250000000000 0.32789389521200 63.546 > 73 75 Cu 0.37629023137058 0.31250000000000 0.32789389521200 63.546 > 73 76 Cu 0.87629023137058 0.31250000000000 0.32789389521200 63.546 > 73 77 Cu 0.37629023137058 0.56250000000000 0.32789389521200 63.546 > 73 78 Cu 0.87629023137058 0.56250000000000 0.32789389521200 63.546 > 73 79 Cu 0.37629023137058 0.81250000000000 0.32789389521200 63.546 > 73 80 Cu 0.87629023137058 0.81250000000000 0.32789389521200 63.546 > 73 81 Cu 0.37370976862942 0.18750000000000 0.82789389521200 63.546 > 81 82 Cu 0.87370976862942 0.18750000000000 0.82789389521200 63.546 > 81 83 Cu 0.37370976862942 0.43750000000000 0.82789389521200 63.546 > 81 84 Cu 0.87370976862942 0.43750000000000 0.82789389521200 63.546 > 81 85 Cu 0.37370976862942 0.68750000000000 0.82789389521200 63.546 > 81 86 Cu 0.87370976862942 0.68750000000000 0.82789389521200 63.546 > 81 87 Cu 0.37370976862942 0.93750000000000 0.82789389521200 63.546 > 81 88 Cu 0.87370976862942 0.93750000000000 0.82789389521200 63.546 > 81 89 Cu 0.12370976862942 0.18750000000000 0.67210610478800 63.546 > 89 90 Cu 0.62370976862942 0.18750000000000 0.67210610478800 63.546 > 89 91 Cu 0.12370976862942 0.43750000000000 0.67210610478800 63.546 > 89 92 Cu 0.62370976862942 0.43750000000000 0.67210610478800 63.546 > 89 93 Cu 0.12370976862942 0.68750000000000 0.67210610478800 63.546 > 89 94 Cu 0.62370976862942 0.68750000000000 0.67210610478800 63.546 > 89 95 Cu 0.12370976862942 0.93750000000000 0.67210610478800 63.546 > 89 96 Cu 0.62370976862942 0.93750000000000 0.67210610478800 63.546 > 89 97 Sb 0.36055727704211 0.06250000000000 0.55810546883454 121.760 > 97 98 Sb 0.86055727704211 0.06250000000000 0.55810546883454 121.760 > 97 99 Sb 0.36055727704211 0.31250000000000 0.55810546883454 121.760 > 97 100 Sb 0.86055727704211 0.31250000000000 0.55810546883454 121.760 > 97 101 Sb 0.36055727704211 0.56250000000000 0.55810546883454 121.760 > 97 102 Sb 0.86055727704211 0.56250000000000 0.55810546883454 121.760 > 97 103 Sb 0.36055727704211 0.81250000000000 0.55810546883454 121.760 > 97 104 Sb 0.86055727704211 0.81250000000000 0.55810546883454 121.760 > 97 105 Sb 0.13944272295789 0.18750000000000 0.44189453116546 121.760 > 105 106 Sb 0.63944272295789 0.18750000000000 0.44189453116546 121.760 > 105 107 Sb 0.13944272295789 0.43750000000000 0.44189453116546 121.760 > 105 108 Sb 0.63944272295789 0.43750000000000 0.44189453116546 121.760 > 105 109 Sb 0.13944272295789 0.68750000000000 0.44189453116546 121.760 > 105 110 Sb 0.63944272295789 0.68750000000000 0.44189453116546 121.760 > 105 111 Sb 0.13944272295789 0.93750000000000 0.44189453116546 121.760 > 105 112 Sb 0.63944272295789 0.93750000000000 0.44189453116546 121.760 > 105 113 Sb 0.11055727704211 0.06250000000000 0.94189453116546 121.760 > 113 114 Sb 0.61055727704211 0.06250000000000 0.94189453116546 121.760 > 113 115 Sb 0.11055727704211 0.31250000000000 0.94189453116546 121.760 > 113 116 Sb 0.61055727704211 0.31250000000000 0.94189453116546 121.760 > 113 117 Sb 0.11055727704211 0.56250000000000 0.94189453116546 121.760 > 113 118 Sb 0.61055727704211 0.56250000000000 0.94189453116546 121.760 > 113 119 Sb 0.11055727704211 0.81250000000000 0.94189453116546 121.760 > 113 120 Sb 0.61055727704211 0.81250000000000 0.94189453116546 121.760 > 113 121 Sb 0.38944272295789 0.18750000000000 0.05810546883454 121.760 > 121 122 Sb 0.88944272295789 0.18750000000000 0.05810546883454 121.760 > 121 123 Sb 0.38944272295789 0.43750000000000 0.05810546883454 121.760 > 121 124 Sb 0.88944272295789 0.43750000000000 0.05810546883454 121.760 > 121 125 Sb 0.38944272295789 0.68750000000000 0.05810546883454 121.760 > 121 126 Sb 0.88944272295789 0.68750000000000 0.05810546883454 121.760 > 121 127 Sb 0.38944272295789 0.93750000000000 0.05810546883454 121.760 > 121 128 Sb 0.88944272295789 0.93750000000000 0.05810546883454 121.760 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 15.0354380 0.0000000 0.0000000 0.0000000 17.7527524 0.0000000 0.0000000 0.0000000 15.7195371 -------------------------- Born effective charges -------------------------- 1 S -2.7104456 0.0000000 0.3076990 0.0000000 -2.7584227 0.0000000 0.5692261 0.0000000 -1.9490183 2 S -2.7104456 0.0000000 0.3076990 0.0000000 -2.7584227 0.0000000 0.5692261 0.0000000 -1.9490183 3 S -2.7104456 0.0000000 -0.3076990 0.0000000 -2.7584227 0.0000000 -0.5692261 0.0000000 -1.9490183 4 S -2.7104456 0.0000000 -0.3076990 0.0000000 -2.7584227 0.0000000 -0.5692261 0.0000000 -1.9490183 5 S -1.0771274 0.0000000 0.3629834 0.0000000 -3.8372266 0.0000000 0.4080490 0.0000000 -1.3546373 6 S -1.0771274 0.0000000 -0.3629834 0.0000000 -3.8372266 0.0000000 -0.4080490 0.0000000 -1.3546373 7 S -1.0771274 0.0000000 -0.3629834 0.0000000 -3.8372266 0.0000000 -0.4080490 0.0000000 -1.3546373 8 S -1.0771274 0.0000000 0.3629834 0.0000000 -3.8372266 0.0000000 0.4080490 0.0000000 -1.3546373 9 Cu 0.4788451 0.0000000 0.2647299 0.0000000 1.0477129 0.0000000 -0.3505136 0.0000000 0.5221816 10 Cu 0.4788451 0.0000000 -0.2647299 0.0000000 1.0477129 0.0000000 0.3505136 0.0000000 0.5221816 11 Cu 0.4788451 0.0000000 0.2647299 0.0000000 1.0477129 0.0000000 -0.3505136 0.0000000 0.5221816 12 Cu 0.4788451 0.0000000 -0.2647299 0.0000000 1.0477129 0.0000000 0.3505136 0.0000000 0.5221816 13 Sb 3.3087279 0.0000000 -0.8884563 0.0000000 5.5479364 0.0000000 -1.2876062 0.0000000 2.7814739 14 Sb 3.3087279 0.0000000 -0.8884563 0.0000000 5.5479364 0.0000000 -1.2876062 0.0000000 2.7814739 15 Sb 3.3087279 0.0000000 0.8884563 0.0000000 5.5479364 0.0000000 1.2876062 0.0000000 2.7814739 16 Sb 3.3087279 0.0000000 0.8884563 0.0000000 5.5479364 0.0000000 1.2876062 0.0000000 2.7814739 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (xxx) 0.00000003 (xxx) 0.00000003 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 13 4 ] 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: 0.61, Number of G-points: 315, Lambda: 0.25 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/105) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 105 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 0.877 ( 0.000 0.000 0.000) 0.000 1.112 ( 0.000 0.000 0.000) 0.000 1.145 ( 0.000 0.000 0.000) 0.000 1.357 ( 0.000 0.000 0.000) 0.000 1.576 ( 0.000 0.000 0.000) 0.000 1.609 ( 0.000 0.000 0.000) 0.000 1.888 ( 0.000 0.000 0.000) 0.000 1.973 ( 0.000 0.000 0.000) 0.000 1.977 ( 0.000 0.000 0.000) 0.000 2.111 ( 0.000 0.000 0.000) 0.000 2.148 ( 0.000 0.000 0.000) 0.000 2.378 ( 0.000 0.000 0.000) 0.000 2.718 ( 0.000 0.000 0.000) 0.000 3.167 ( 0.000 0.000 0.000) 0.000 3.274 ( 0.000 0.000 0.000) 0.000 3.951 ( 0.000 0.000 0.000) 0.000 3.982 ( 0.000 0.000 0.000) 0.000 4.074 ( 0.000 0.000 0.000) 0.000 4.534 ( 0.000 0.000 0.000) 0.000 4.608 ( 0.000 0.000 0.000) 0.000 4.655 ( 0.000 0.000 0.000) 0.000 5.266 ( 0.000 0.000 0.000) 0.000 5.334 ( 0.000 0.000 0.000) 0.000 5.378 ( 0.000 0.000 0.000) 0.000 5.607 ( 0.000 0.000 0.000) 0.000 6.011 ( 0.000 0.000 0.000) 0.000 6.232 ( 0.000 0.000 0.000) 0.000 6.372 ( 0.000 0.000 0.000) 0.000 6.969 ( 0.000 0.000 0.000) 0.000 7.453 ( 0.000 0.000 0.000) 0.000 7.692 ( 0.000 0.000 0.000) 0.000 7.833 ( 0.000 0.000 0.000) 0.000 7.999 ( 0.000 0.000 0.000) 0.000 8.036 ( 0.000 0.000 0.000) 0.000 8.038 ( 0.000 0.000 0.000) 0.000 8.514 ( 0.000 0.000 0.000) 0.000 8.662 ( 0.000 0.000 0.000) 0.000 9.355 ( 0.000 0.000 0.000) 0.000 9.396 ( 0.000 0.000 0.000) 0.000 9.499 ( 0.000 0.000 0.000) 0.000 9.608 ( 0.000 0.000 0.000) 0.000 9.644 ( 0.000 0.000 0.000) 0.000 9.795 ( 0.000 0.000 0.000) 0.000 10.179 ( 0.000 0.000 0.000) 0.000 10.275 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/105) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( 21.024 0.000 0.000) 21.024 0.465 ( 21.630 0.000 0.000) 21.630 0.939 ( 43.996 0.000 0.000) 43.996 0.943 ( 5.648 0.000 0.000) 5.648 1.129 ( 1.576 0.000 0.000) 1.576 1.179 ( 3.083 0.000 0.000) 3.083 1.411 ( 5.288 0.000 0.000) 5.288 1.613 ( 3.322 0.000 0.000) 3.322 1.707 ( 8.239 0.000 0.000) 8.239 1.896 ( 0.738 0.000 0.000) 0.738 2.001 ( 2.520 0.000 0.000) 2.520 2.009 ( 2.737 0.000 0.000) 2.737 2.058 ( -4.703 0.000 0.000) 4.703 2.161 ( 1.162 0.000 0.000) 1.162 2.349 ( -2.362 0.000 0.000) 2.362 2.703 ( -3.975 0.000 0.000) 3.975 3.038 ( -9.901 0.000 0.000) 9.901 3.333 ( 5.031 0.000 0.000) 5.031 3.814 ( -6.507 0.000 0.000) 6.507 4.106 ( 4.825 0.000 0.000) 4.825 4.158 ( 5.936 0.000 0.000) 5.936 4.565 ( 3.033 0.000 0.000) 3.033 4.628 ( -2.528 0.000 0.000) 2.528 4.639 ( 2.905 0.000 0.000) 2.905 5.268 ( -2.657 0.000 0.000) 2.657 5.281 ( 1.385 0.000 0.000) 1.385 5.461 ( 4.128 0.000 0.000) 4.128 5.697 ( -3.707 0.000 0.000) 3.707 6.017 ( 0.627 0.000 0.000) 0.627 6.219 ( -1.164 0.000 0.000) 1.164 6.391 ( 1.775 0.000 0.000) 1.775 6.938 ( -2.925 0.000 0.000) 2.925 7.447 ( -0.472 0.000 0.000) 0.472 7.664 ( -2.380 0.000 0.000) 2.380 8.026 ( 2.269 0.000 0.000) 2.269 8.055 ( 1.522 0.000 0.000) 1.522 8.059 ( 2.210 0.000 0.000) 2.210 8.157 ( 2.060 0.000 0.000) 2.060 8.511 ( -0.282 0.000 0.000) 0.282 8.642 ( -1.956 0.000 0.000) 1.956 9.387 ( -0.463 0.000 0.000) 0.463 9.528 ( 1.588 0.000 0.000) 1.588 9.558 ( -4.113 0.000 0.000) 4.113 9.654 ( 1.159 0.000 0.000) 1.159 9.740 ( -0.339 0.000 0.000) 0.339 9.814 ( 2.317 0.000 0.000) 2.317 10.167 ( -1.446 0.000 0.000) 1.446 10.269 ( -0.329 0.000 0.000) 0.329 ======================= Grid point 2 (3/105) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 16.658 0.000 0.000) 16.658 0.886 ( 18.588 0.000 0.000) 18.588 1.075 ( 6.231 0.000 0.000) 6.231 1.174 ( 2.623 0.000 0.000) 2.623 1.259 ( 4.078 0.000 0.000) 4.078 1.574 ( 10.081 0.000 0.000) 10.081 1.700 ( 4.763 0.000 0.000) 4.763 1.763 ( 26.041 0.000 0.000) 26.041 1.883 ( 10.007 0.000 0.000) 10.007 1.912 ( 0.564 0.000 0.000) 0.564 1.964 ( 1.293 0.000 0.000) 1.293 2.069 ( 3.738 0.000 0.000) 3.738 2.072 ( 3.017 0.000 0.000) 3.017 2.190 ( 1.366 0.000 0.000) 1.366 2.299 ( -2.173 0.000 0.000) 2.173 2.570 ( -8.183 0.000 0.000) 8.183 2.825 ( -9.138 0.000 0.000) 9.138 3.500 ( 10.927 0.000 0.000) 10.927 3.701 ( -4.589 0.000 0.000) 4.589 4.145 ( -1.277 0.000 0.000) 1.277 4.266 ( 3.708 0.000 0.000) 3.708 4.554 ( -4.511 0.000 0.000) 4.511 4.655 ( 5.194 0.000 0.000) 5.194 4.719 ( 4.387 0.000 0.000) 4.387 5.245 ( 0.306 0.000 0.000) 0.306 5.317 ( 1.800 0.000 0.000) 1.800 5.520 ( 1.492 0.000 0.000) 1.492 5.607 ( -4.423 0.000 0.000) 4.423 6.036 ( 1.219 0.000 0.000) 1.219 6.188 ( -1.789 0.000 0.000) 1.789 6.443 ( 3.220 0.000 0.000) 3.220 6.854 ( -4.921 0.000 0.000) 4.921 7.439 ( -0.133 0.000 0.000) 0.133 7.604 ( -3.239 0.000 0.000) 3.239 8.079 ( 2.589 0.000 0.000) 2.589 8.093 ( 1.997 0.000 0.000) 1.997 8.127 ( 4.296 0.000 0.000) 4.296 8.212 ( 3.124 0.000 0.000) 3.124 8.500 ( -0.995 0.000 0.000) 0.995 8.579 ( -4.111 0.000 0.000) 4.111 9.376 ( -0.914 0.000 0.000) 0.914 9.464 ( -4.499 0.000 0.000) 4.499 9.534 ( -0.503 0.000 0.000) 0.503 9.704 ( 3.612 0.000 0.000) 3.612 9.711 ( -2.403 0.000 0.000) 2.403 9.902 ( 5.843 0.000 0.000) 5.843 10.113 ( -3.676 0.000 0.000) 3.676 10.262 ( -0.674 0.000 0.000) 0.674 ======================= Grid point 3 (4/105) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 9.279 0.000 0.000) 9.279 1.179 ( 3.532 0.000 0.000) 3.532 1.232 ( 3.129 0.000 0.000) 3.129 1.232 ( 14.798 0.000 0.000) 14.798 1.325 ( 1.735 0.000 0.000) 1.735 1.716 ( -8.966 0.000 0.000) 8.966 1.798 ( 4.341 0.000 0.000) 4.341 1.812 ( 12.183 0.000 0.000) 12.183 1.911 ( -0.843 0.000 0.000) 0.843 2.024 ( 3.571 0.000 0.000) 3.571 2.129 ( 2.474 0.000 0.000) 2.474 2.144 ( 3.274 0.000 0.000) 3.274 2.209 ( 0.295 0.000 0.000) 0.295 2.264 ( -0.907 0.000 0.000) 0.907 2.304 ( 2.064 0.000 0.000) 2.064 2.403 ( -6.820 0.000 0.000) 6.820 2.835 ( 16.979 0.000 0.000) 16.979 3.582 ( -8.590 0.000 0.000) 8.590 3.752 ( 12.178 0.000 0.000) 12.178 4.072 ( -4.808 0.000 0.000) 4.808 4.310 ( 1.087 0.000 0.000) 1.087 4.448 ( -5.441 0.000 0.000) 5.441 4.759 ( 4.380 0.000 0.000) 4.380 4.799 ( 2.772 0.000 0.000) 2.772 5.270 ( 1.871 0.000 0.000) 1.871 5.339 ( -0.040 0.000 0.000) 0.040 5.530 ( -0.288 0.000 0.000) 0.288 5.535 ( -2.102 0.000 0.000) 2.102 6.067 ( 1.697 0.000 0.000) 1.697 6.148 ( -2.022 0.000 0.000) 2.022 6.523 ( 4.457 0.000 0.000) 4.457 6.742 ( -5.664 0.000 0.000) 5.664 7.447 ( 0.965 0.000 0.000) 0.965 7.537 ( -3.101 0.000 0.000) 3.101 8.124 ( 1.615 0.000 0.000) 1.615 8.130 ( 1.305 0.000 0.000) 1.305 8.232 ( 5.620 0.000 0.000) 5.620 8.287 ( 4.103 0.000 0.000) 4.103 8.456 ( -3.630 0.000 0.000) 3.630 8.480 ( -4.941 0.000 0.000) 4.941 9.349 ( -1.250 0.000 0.000) 1.250 9.383 ( -3.081 0.000 0.000) 3.081 9.538 ( 1.175 0.000 0.000) 1.175 9.648 ( -3.384 0.000 0.000) 3.384 9.797 ( 5.165 0.000 0.000) 5.165 10.021 ( -4.997 0.000 0.000) 4.997 10.033 ( 6.327 0.000 0.000) 6.327 10.230 ( -2.591 0.000 0.000) 2.591 ======================= Grid point 4 (5/105) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( -0.230 0.000 0.000) 0.230 1.215 ( 0.230 0.000 0.000) 0.230 1.313 ( -3.090 0.000 0.000) 3.090 1.313 ( 3.090 0.000 0.000) 3.090 1.504 ( -11.480 0.000 0.000) 11.480 1.504 ( 11.480 0.000 0.000) 11.480 1.873 ( -2.798 0.000 0.000) 2.798 1.873 ( 2.798 0.000 0.000) 2.798 2.026 ( -5.654 0.000 0.000) 5.654 2.026 ( 5.654 0.000 0.000) 5.654 2.189 ( -5.171 0.000 0.000) 5.171 2.189 ( 5.171 0.000 0.000) 5.171 2.196 ( -1.585 0.000 0.000) 1.585 2.196 ( 1.585 0.000 0.000) 1.585 2.289 ( -3.716 0.000 0.000) 3.716 2.289 ( 3.716 0.000 0.000) 3.716 3.286 ( -20.017 0.000 0.000) 20.017 3.286 ( 20.017 0.000 0.000) 20.017 3.958 ( -7.054 0.000 0.000) 7.054 3.958 ( 7.054 0.000 0.000) 7.054 4.348 ( -3.410 0.000 0.000) 3.410 4.348 ( 3.410 0.000 0.000) 3.410 4.819 ( -1.030 0.000 0.000) 1.030 4.819 ( 1.030 0.000 0.000) 1.030 5.313 ( -2.042 0.000 0.000) 2.042 5.313 ( 2.042 0.000 0.000) 2.042 5.520 ( -0.308 0.000 0.000) 0.308 5.520 ( 0.308 0.000 0.000) 0.308 6.106 ( -1.978 0.000 0.000) 1.978 6.106 ( 1.978 0.000 0.000) 1.978 6.626 ( -5.376 0.000 0.000) 5.376 6.626 ( 5.376 0.000 0.000) 5.376 7.480 ( -2.240 0.000 0.000) 2.240 7.480 ( 2.240 0.000 0.000) 2.240 8.143 ( -0.104 0.000 0.000) 0.104 8.143 ( 0.104 0.000 0.000) 0.104 8.351 ( -5.685 0.000 0.000) 5.685 8.351 ( 5.685 0.000 0.000) 5.685 8.382 ( -4.836 0.000 0.000) 4.836 8.382 ( 4.836 0.000 0.000) 4.836 9.342 ( -0.782 0.000 0.000) 0.782 9.342 ( 0.782 0.000 0.000) 0.782 9.582 ( -2.831 0.000 0.000) 2.831 9.582 ( 2.831 0.000 0.000) 2.831 9.910 ( -5.555 0.000 0.000) 5.555 9.910 ( 5.555 0.000 0.000) 5.555 10.152 ( -4.858 0.000 0.000) 4.858 10.152 ( 4.858 0.000 0.000) 4.858 ======================= Grid point 9 (6/105) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( 0.000 23.047 0.000) 23.047 0.495 ( 0.000 23.641 0.000) 23.641 0.903 ( 0.000 42.117 0.000) 42.117 1.148 ( 0.000 19.528 0.000) 19.528 1.309 ( 0.000 16.289 0.000) 16.289 1.366 ( 0.000 18.327 0.000) 18.327 1.428 ( 0.000 7.004 0.000) 7.004 1.684 ( 0.000 7.003 0.000) 7.003 1.881 ( 0.000 0.391 0.000) 0.391 1.998 ( 0.000 10.013 0.000) 10.013 2.095 ( 0.000 -1.397 0.000) 1.397 2.103 ( 0.000 -3.173 0.000) 3.173 2.200 ( 0.000 11.884 0.000) 11.884 2.212 ( 0.000 6.682 0.000) 6.682 2.382 ( 0.000 0.407 0.000) 0.407 2.735 ( 0.000 0.554 0.000) 0.554 3.166 ( 0.000 0.024 0.000) 0.024 3.307 ( 0.000 3.324 0.000) 3.324 3.950 ( 0.000 -0.168 0.000) 0.168 3.972 ( 0.000 -0.914 0.000) 0.914 4.048 ( 0.000 -2.428 0.000) 2.428 4.539 ( 0.000 0.188 0.000) 0.188 4.557 ( 0.000 -4.895 0.000) 4.895 4.611 ( 0.000 -3.949 0.000) 3.949 5.198 ( 0.000 -9.806 0.000) 9.806 5.301 ( 0.000 3.354 0.000) 3.354 5.321 ( 0.000 -4.870 0.000) 4.870 5.392 ( 0.000 -17.464 0.000) 17.464 6.301 ( 0.000 6.221 0.000) 6.221 6.600 ( 0.000 17.734 0.000) 17.734 7.057 ( 0.000 5.879 0.000) 5.879 7.529 ( 0.000 7.635 0.000) 7.635 7.685 ( 0.000 0.508 0.000) 0.508 7.844 ( 0.000 0.974 0.000) 0.974 8.018 ( 0.000 -1.412 0.000) 1.412 8.044 ( 0.000 0.634 0.000) 0.634 8.060 ( 0.000 5.577 0.000) 5.577 8.061 ( 0.000 2.993 0.000) 2.993 8.535 ( 0.000 2.157 0.000) 2.157 8.664 ( 0.000 0.143 0.000) 0.143 9.354 ( 0.000 -3.718 0.000) 3.718 9.365 ( 0.000 0.967 0.000) 0.967 9.481 ( 0.000 -2.036 0.000) 2.036 9.596 ( 0.000 -1.098 0.000) 1.098 9.614 ( 0.000 -2.465 0.000) 2.465 9.779 ( 0.000 -1.523 0.000) 1.523 10.146 ( 0.000 -3.078 0.000) 3.078 10.222 ( 0.000 -4.943 0.000) 4.943 ======================= Grid point 10 (7/105) ======================= q-point: ( 0.12 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 14.382 15.633 0.000) 21.242 0.807 ( 17.158 19.262 0.000) 25.796 1.188 ( 26.316 24.682 0.000) 36.079 1.202 ( 4.727 19.220 0.000) 19.792 1.343 ( 4.061 17.618 0.000) 18.080 1.388 ( 1.975 16.112 0.000) 16.232 1.471 ( 4.419 7.042 0.000) 8.314 1.767 ( 6.986 5.739 0.000) 9.041 1.911 ( 2.679 0.336 0.000) 2.700 1.958 ( -10.086 6.759 0.000) 12.141 2.009 ( 0.910 10.052 0.000) 10.093 2.084 ( -3.538 5.602 0.000) 6.626 2.159 ( 0.991 2.379 0.000) 2.577 2.216 ( 1.332 10.850 0.000) 10.931 2.355 ( -2.139 0.719 0.000) 2.256 2.697 ( -4.133 -0.377 0.000) 4.150 3.036 ( -10.056 0.105 0.000) 10.057 3.360 ( 4.754 2.840 0.000) 5.537 3.817 ( -6.120 0.376 0.000) 6.131 4.090 ( 4.498 -1.467 0.000) 4.731 4.134 ( 6.478 -2.068 0.000) 6.800 4.564 ( 2.438 -0.406 0.000) 2.471 4.584 ( 2.720 -5.033 0.000) 5.721 4.585 ( -2.373 -3.825 0.000) 4.501 5.192 ( 0.023 -6.363 0.000) 6.363 5.308 ( 0.752 1.686 0.000) 1.846 5.349 ( 1.962 -7.984 0.000) 8.221 5.404 ( 0.548 -16.744 0.000) 16.753 6.294 ( -0.603 6.624 0.000) 6.651 6.596 ( -0.286 16.026 0.000) 16.029 6.915 ( -31.270 33.059 0.000) 45.506 7.043 ( -11.428 12.837 0.000) 17.187 7.526 ( -0.249 7.882 0.000) 7.886 7.711 ( -2.265 4.862 0.000) 5.364 8.048 ( 2.302 -0.854 0.000) 2.456 8.063 ( 1.659 0.796 0.000) 1.840 8.074 ( 1.957 3.890 0.000) 4.355 8.139 ( 2.517 -0.831 0.000) 2.651 8.527 ( -0.728 1.666 0.000) 1.819 8.643 ( -2.049 0.017 0.000) 2.049 9.353 ( 0.057 -3.087 0.000) 3.088 9.506 ( 1.354 -2.323 0.000) 2.689 9.519 ( -0.424 -3.148 0.000) 3.177 9.627 ( 1.427 -2.261 0.000) 2.674 9.641 ( 4.856 -5.116 0.000) 7.054 9.793 ( 1.935 -1.864 0.000) 2.687 10.126 ( -1.717 -3.447 0.000) 3.851 10.219 ( -0.164 -4.705 0.000) 4.708 ======================= Grid point 11 (8/105) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 15.103 8.677 0.000) 17.418 1.112 ( 12.850 19.434 0.000) 23.298 1.315 ( 5.459 18.662 0.000) 19.444 1.391 ( 3.271 17.783 0.000) 18.081 1.450 ( 3.903 13.821 0.000) 14.361 1.610 ( 8.643 5.550 0.000) 10.272 1.765 ( 1.415 2.495 0.000) 2.868 1.853 ( 16.330 6.377 0.000) 17.531 1.976 ( 13.857 4.477 0.000) 14.563 1.980 ( 3.778 -0.494 0.000) 3.810 2.018 ( -1.382 11.591 0.000) 11.674 2.029 ( 0.795 10.047 0.000) 10.079 2.198 ( 2.354 1.022 0.000) 2.566 2.240 ( 0.759 7.556 0.000) 7.595 2.312 ( -1.798 1.873 0.000) 2.596 2.566 ( -7.888 -0.246 0.000) 7.892 2.827 ( -8.190 0.511 0.000) 8.206 3.515 ( 10.075 1.665 0.000) 10.212 3.712 ( -4.262 1.177 0.000) 4.421 4.126 ( -1.186 -1.699 0.000) 2.072 4.251 ( 4.043 -1.349 0.000) 4.262 4.515 ( -4.135 -3.525 0.000) 5.433 4.638 ( 4.251 -1.854 0.000) 4.638 4.664 ( 4.512 -5.152 0.000) 6.849 5.212 ( 1.840 -2.530 0.000) 3.129 5.330 ( 1.203 -1.172 0.000) 1.680 5.380 ( 0.792 -11.011 0.000) 11.040 5.398 ( -1.127 -13.265 0.000) 13.313 6.278 ( -0.878 7.752 0.000) 7.802 6.447 ( -12.437 29.689 0.000) 32.188 6.596 ( 0.531 12.176 0.000) 12.188 6.915 ( -5.889 4.334 0.000) 7.312 7.523 ( -0.007 8.279 0.000) 8.279 7.658 ( -2.756 5.447 0.000) 6.105 8.105 ( 2.152 1.117 0.000) 2.425 8.116 ( 3.455 1.471 0.000) 3.754 8.123 ( 3.165 1.531 0.000) 3.516 8.196 ( 3.123 -1.303 0.000) 3.384 8.505 ( -1.600 0.559 0.000) 1.695 8.578 ( -4.112 -0.112 0.000) 4.114 9.353 ( -0.258 -1.966 0.000) 1.983 9.457 ( -3.902 -0.559 0.000) 3.942 9.508 ( -0.729 -2.566 0.000) 2.668 9.669 ( -1.516 -3.805 0.000) 4.096 9.679 ( 3.561 -2.174 0.000) 4.172 9.874 ( 5.548 -2.567 0.000) 6.113 10.073 ( -3.435 -3.571 0.000) 4.955 10.215 ( -0.459 -4.363 0.000) 4.387 ======================= Grid point 12 (9/105) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 11.065 5.419 0.000) 12.320 1.330 ( 7.601 15.779 0.000) 17.514 1.414 ( 3.920 17.460 0.000) 17.895 1.446 ( 1.873 18.575 0.000) 18.669 1.529 ( 3.079 14.888 0.000) 15.203 1.689 ( -4.759 0.917 0.000) 4.846 1.811 ( 10.008 1.212 0.000) 10.081 1.986 ( 0.118 8.533 0.000) 8.533 2.008 ( 2.456 3.587 0.000) 4.347 2.034 ( -0.293 10.715 0.000) 10.719 2.067 ( 4.527 -1.290 0.000) 4.707 2.236 ( 2.031 1.685 0.000) 2.639 2.251 ( 0.626 2.691 0.000) 2.763 2.282 ( -1.082 3.995 0.000) 4.139 2.301 ( 0.701 -0.240 0.000) 0.741 2.401 ( -7.185 -0.054 0.000) 7.185 2.875 ( 17.104 4.413 0.000) 17.664 3.596 ( -8.640 1.494 0.000) 8.768 3.751 ( 11.565 -0.077 0.000) 11.566 4.058 ( -4.426 -1.250 0.000) 4.599 4.300 ( 1.200 -0.831 0.000) 1.459 4.420 ( -4.794 -2.489 0.000) 5.402 4.725 ( 3.650 -3.499 0.000) 5.056 4.747 ( 2.984 -4.914 0.000) 5.748 5.261 ( 2.619 -0.389 0.000) 2.648 5.350 ( 0.109 0.168 0.000) 0.200 5.366 ( -1.231 -13.243 0.000) 13.300 5.383 ( -0.367 -12.343 0.000) 12.349 6.261 ( -0.625 9.671 0.000) 9.691 6.296 ( -3.658 18.987 0.000) 19.336 6.625 ( 2.274 8.218 0.000) 8.527 6.794 ( -5.556 3.980 0.000) 6.835 7.530 ( 0.774 8.262 0.000) 8.298 7.602 ( -2.534 6.522 0.000) 6.997 8.145 ( 1.564 1.576 0.000) 2.221 8.156 ( 1.183 3.187 0.000) 3.399 8.226 ( 5.722 -0.565 0.000) 5.750 8.272 ( 4.220 -1.359 0.000) 4.433 8.450 ( -3.916 -0.520 0.000) 3.950 8.480 ( -5.114 -0.113 0.000) 5.115 9.340 ( -0.761 -0.813 0.000) 1.114 9.381 ( -3.032 -0.141 0.000) 3.035 9.507 ( 0.921 -3.053 0.000) 3.189 9.613 ( -3.341 -3.370 0.000) 4.745 9.770 ( 5.033 -2.426 0.000) 5.587 9.987 ( -4.745 -3.140 0.000) 5.690 10.000 ( 6.096 -3.085 0.000) 6.833 10.187 ( -2.385 -3.986 0.000) 4.645 ======================= Grid point 13 (10/105) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -2.464 10.113 0.000) 10.409 1.391 ( 2.464 10.113 0.000) 10.409 1.466 ( -0.458 16.108 0.000) 16.114 1.466 ( 0.458 16.107 0.000) 16.114 1.589 ( -3.896 9.798 0.000) 10.544 1.589 ( 3.896 9.798 0.000) 10.544 1.976 ( -4.030 -2.075 0.000) 4.533 1.976 ( 4.030 -2.075 0.000) 4.533 2.019 ( -0.475 11.203 0.000) 11.214 2.019 ( 0.475 11.203 0.000) 11.214 2.182 ( -6.881 -0.040 0.000) 6.881 2.182 ( 6.881 -0.040 0.000) 6.881 2.265 ( -0.750 4.011 0.000) 4.081 2.265 ( 0.750 4.011 0.000) 4.081 2.287 ( -3.471 0.105 0.000) 3.473 2.287 ( 3.471 0.105 0.000) 3.473 3.305 ( -19.228 2.206 0.000) 19.354 3.305 ( 19.228 2.206 0.000) 19.354 3.950 ( -6.956 -0.852 0.000) 7.008 3.950 ( 6.956 -0.852 0.000) 7.008 4.334 ( -2.847 -1.165 0.000) 3.076 4.334 ( 2.847 -1.165 0.000) 3.076 4.773 ( -0.662 -4.475 0.000) 4.524 4.773 ( 0.662 -4.475 0.000) 4.524 5.313 ( -2.377 -0.257 0.000) 2.391 5.313 ( 2.377 -0.257 0.000) 2.391 5.372 ( -0.598 -12.208 0.000) 12.223 5.372 ( 0.598 -12.208 0.000) 12.223 6.258 ( -0.524 12.988 0.000) 12.998 6.258 ( 0.524 12.988 0.000) 12.998 6.692 ( -4.169 5.327 0.000) 6.764 6.692 ( 4.169 5.327 0.000) 6.764 7.556 ( -1.762 7.603 0.000) 7.804 7.556 ( 1.762 7.603 0.000) 7.804 8.165 ( -0.311 2.313 0.000) 2.333 8.165 ( 0.311 2.313 0.000) 2.333 8.347 ( -5.626 -0.557 0.000) 5.653 8.347 ( 5.626 -0.557 0.000) 5.653 8.372 ( -5.223 -0.827 0.000) 5.288 8.372 ( 5.223 -0.827 0.000) 5.288 9.339 ( -0.954 -0.259 0.000) 0.988 9.339 ( 0.954 -0.259 0.000) 0.988 9.547 ( -2.768 -3.324 0.000) 4.325 9.547 ( 2.768 -3.324 0.000) 4.325 9.880 ( -5.372 -2.733 0.000) 6.027 9.880 ( 5.372 -2.733 0.000) 6.027 10.114 ( -4.633 -3.560 0.000) 5.843 10.114 ( 4.633 -3.560 0.000) 5.843 ======================= Grid point 18 (11/105) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 0.000 20.695 0.000) 20.695 0.957 ( 0.000 21.273 0.000) 21.273 1.439 ( 0.000 7.435 0.000) 7.435 1.599 ( 0.000 7.208 0.000) 7.208 1.607 ( 0.000 10.532 0.000) 10.532 1.633 ( 0.000 23.712 0.000) 23.712 1.788 ( 0.000 20.075 0.000) 20.075 1.910 ( 0.000 18.078 0.000) 18.078 2.042 ( 0.000 14.718 0.000) 14.718 2.057 ( 0.000 -1.807 0.000) 1.807 2.109 ( 0.000 6.585 0.000) 6.585 2.256 ( 0.000 14.339 0.000) 14.339 2.373 ( 0.000 2.171 0.000) 2.171 2.400 ( 0.000 11.157 0.000) 11.157 2.424 ( 0.000 5.624 0.000) 5.624 2.712 ( 0.000 -2.473 0.000) 2.473 3.181 ( 0.000 1.982 0.000) 1.982 3.395 ( 0.000 4.377 0.000) 4.377 3.947 ( 0.000 -0.036 0.000) 0.036 3.950 ( 0.000 -1.175 0.000) 1.175 3.984 ( 0.000 -3.318 0.000) 3.318 4.417 ( 0.000 -8.377 0.000) 8.377 4.506 ( 0.000 -6.187 0.000) 6.187 4.519 ( 0.000 -2.750 0.000) 2.750 5.038 ( 0.000 -14.681 0.000) 14.681 5.044 ( 0.000 -3.742 0.000) 3.742 5.227 ( 0.000 -2.875 0.000) 2.875 5.396 ( 0.000 5.712 0.000) 5.712 6.459 ( 0.000 8.499 0.000) 8.499 6.935 ( 0.000 12.901 0.000) 12.901 7.124 ( 0.000 0.052 0.000) 0.052 7.677 ( 0.000 -1.456 0.000) 1.456 7.763 ( 0.000 14.537 0.000) 14.537 7.870 ( 0.000 1.575 0.000) 1.575 7.981 ( 0.000 -1.974 0.000) 1.974 8.064 ( 0.000 1.389 0.000) 1.389 8.172 ( 0.000 7.971 0.000) 7.971 8.211 ( 0.000 8.859 0.000) 8.859 8.603 ( 0.000 4.257 0.000) 4.257 8.665 ( 0.000 -0.063 0.000) 0.063 9.270 ( 0.000 -3.687 0.000) 3.687 9.395 ( 0.000 1.967 0.000) 1.967 9.403 ( 0.000 -5.365 0.000) 5.365 9.568 ( 0.000 -1.544 0.000) 1.544 9.572 ( 0.000 -1.240 0.000) 1.240 9.736 ( 0.000 -2.639 0.000) 2.639 10.062 ( 0.000 -4.924 0.000) 4.924 10.088 ( 0.000 -7.633 0.000) 7.633 ======================= Grid point 19 (12/105) ======================= q-point: ( 0.12 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 7.759 17.936 0.000) 19.543 1.142 ( 14.892 15.096 0.000) 21.205 1.480 ( 3.680 5.766 0.000) 6.840 1.609 ( 0.904 11.167 0.000) 11.204 1.638 ( 3.494 9.123 0.000) 9.769 1.722 ( 7.513 15.104 0.000) 16.869 1.826 ( 3.599 19.953 0.000) 20.275 1.966 ( 3.568 13.247 0.000) 13.719 2.001 ( -2.833 4.989 0.000) 5.738 2.057 ( 0.925 13.311 0.000) 13.343 2.148 ( 3.574 7.328 0.000) 8.153 2.265 ( 0.744 14.004 0.000) 14.023 2.353 ( -1.770 1.643 0.000) 2.415 2.365 ( -2.589 12.223 0.000) 12.494 2.421 ( -0.220 5.921 0.000) 5.925 2.674 ( -3.625 -1.668 0.000) 3.990 3.055 ( -9.776 2.672 0.000) 10.134 3.437 ( 3.912 3.779 0.000) 5.439 3.832 ( -4.808 1.166 0.000) 4.948 4.053 ( 3.644 -1.984 0.000) 4.149 4.082 ( 7.395 -2.629 0.000) 7.848 4.443 ( 2.556 -8.361 0.000) 8.743 4.481 ( -2.199 -6.007 0.000) 6.397 4.533 ( 1.232 -3.287 0.000) 3.510 5.037 ( -0.083 -14.840 0.000) 14.840 5.071 ( 2.347 -4.260 0.000) 4.863 5.223 ( -0.341 -2.864 0.000) 2.884 5.404 ( 0.619 5.194 0.000) 5.231 6.458 ( -0.025 8.656 0.000) 8.656 6.901 ( -2.930 11.937 0.000) 12.292 7.077 ( -4.178 0.754 0.000) 4.246 7.403 ( -22.084 8.834 0.000) 23.785 7.764 ( 0.119 14.538 0.000) 14.539 7.856 ( -1.107 7.111 0.000) 7.197 8.019 ( 3.145 -2.101 0.000) 3.782 8.087 ( 2.038 1.671 0.000) 2.635 8.129 ( -0.721 5.064 0.000) 5.116 8.227 ( 1.024 7.955 0.000) 8.020 8.581 ( -1.931 3.495 0.000) 3.993 8.640 ( -2.354 -0.318 0.000) 2.375 9.283 ( 1.207 -3.051 0.000) 3.281 9.427 ( 1.382 -5.211 0.000) 5.391 9.475 ( 2.673 -0.690 0.000) 2.761 9.563 ( 0.609 -3.115 0.000) 3.174 9.585 ( 1.291 -1.518 0.000) 1.993 9.743 ( 1.284 -2.877 0.000) 3.150 10.037 ( -2.041 -5.009 0.000) 5.409 10.092 ( 0.280 -7.188 0.000) 7.193 ======================= Grid point 20 (13/105) ======================= q-point: ( 0.25 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 10.088 12.914 0.000) 16.388 1.453 ( 13.114 12.158 0.000) 17.883 1.575 ( 5.312 2.265 0.000) 5.775 1.672 ( 5.022 13.251 0.000) 14.171 1.717 ( 2.992 6.914 0.000) 7.534 1.824 ( 0.411 6.216 0.000) 6.230 1.924 ( 5.279 19.399 0.000) 20.104 1.975 ( 2.547 7.469 0.000) 7.892 2.064 ( -0.121 8.827 0.000) 8.828 2.082 ( 6.323 3.489 0.000) 7.222 2.267 ( 5.538 9.819 0.000) 11.273 2.279 ( 0.430 12.985 0.000) 12.992 2.311 ( -2.102 1.800 0.000) 2.768 2.320 ( -0.975 11.804 0.000) 11.845 2.409 ( -1.057 5.025 0.000) 5.135 2.565 ( -6.677 0.431 0.000) 6.691 2.893 ( -2.365 8.434 0.000) 8.759 3.558 ( 7.722 1.843 0.000) 7.938 3.755 ( -3.115 3.071 0.000) 4.374 4.080 ( -1.272 -2.796 0.000) 3.071 4.219 ( 4.958 -1.426 0.000) 5.159 4.424 ( -2.961 -4.841 0.000) 5.675 4.521 ( 4.571 -8.424 0.000) 9.584 4.570 ( 2.233 -4.806 0.000) 5.299 5.036 ( 0.102 -14.984 0.000) 14.985 5.119 ( 1.403 -8.454 0.000) 8.570 5.223 ( 1.044 -0.053 0.000) 1.045 5.413 ( 0.013 4.141 0.000) 4.141 6.459 ( 0.201 9.036 0.000) 9.038 6.834 ( -3.009 9.625 0.000) 10.085 6.959 ( -16.075 17.394 0.000) 23.684 6.975 ( -7.307 1.230 0.000) 7.409 7.769 ( 0.365 14.857 0.000) 14.861 7.830 ( -1.269 10.535 0.000) 10.612 8.101 ( 4.679 -1.355 0.000) 4.871 8.139 ( 2.712 2.231 0.000) 3.512 8.160 ( 3.121 1.118 0.000) 3.315 8.248 ( 0.830 6.983 0.000) 7.032 8.527 ( -3.255 1.756 0.000) 3.699 8.571 ( -4.099 -0.526 0.000) 4.133 9.312 ( 1.234 -1.597 0.000) 2.019 9.430 ( -0.905 -4.869 0.000) 4.952 9.447 ( -3.335 -0.396 0.000) 3.358 9.575 ( -1.052 -4.761 0.000) 4.876 9.628 ( 3.010 -2.456 0.000) 3.885 9.808 ( 4.734 -3.655 0.000) 5.981 9.983 ( -3.123 -4.779 0.000) 5.709 10.096 ( -0.094 -6.846 0.000) 6.847 ======================= Grid point 21 (14/105) ======================= q-point: ( 0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 8.577 8.939 0.000) 12.388 1.616 ( 0.669 9.269 0.000) 9.293 1.702 ( 6.632 1.892 0.000) 6.897 1.761 ( 4.008 5.919 0.000) 7.148 1.787 ( 5.236 14.991 0.000) 15.879 1.853 ( 1.783 15.933 0.000) 16.032 1.988 ( -0.996 3.010 0.000) 3.171 1.988 ( -0.461 13.405 0.000) 13.413 2.100 ( 4.819 6.644 0.000) 8.207 2.224 ( 5.723 1.567 0.000) 5.933 2.268 ( -1.545 3.637 0.000) 3.951 2.271 ( -1.378 3.023 0.000) 3.323 2.283 ( -0.105 10.153 0.000) 10.153 2.315 ( -2.780 4.290 0.000) 5.112 2.378 ( -1.842 3.702 0.000) 4.135 2.417 ( -6.910 2.751 0.000) 7.437 3.052 ( 15.643 13.707 0.000) 20.799 3.656 ( -7.861 4.778 0.000) 9.199 3.742 ( 9.351 -1.193 0.000) 9.427 4.017 ( -4.048 -3.119 0.000) 5.110 4.285 ( 1.759 -0.362 0.000) 1.795 4.363 ( -2.854 -2.462 0.000) 3.769 4.609 ( 3.288 -8.225 0.000) 8.858 4.619 ( 2.140 -6.540 0.000) 6.881 5.045 ( 0.794 -14.715 0.000) 14.736 5.110 ( -1.710 -12.571 0.000) 12.687 5.278 ( 3.594 2.419 0.000) 4.333 5.398 ( -1.507 3.189 0.000) 3.527 6.473 ( 1.363 9.665 0.000) 9.760 6.674 ( -9.962 14.426 0.000) 17.532 6.793 ( -0.775 7.236 0.000) 7.278 6.871 ( -4.217 3.690 0.000) 5.603 7.778 ( 0.518 15.122 0.000) 15.131 7.807 ( -0.959 12.906 0.000) 12.942 8.194 ( 2.435 3.017 0.000) 3.877 8.209 ( 5.594 -1.247 0.000) 5.731 8.245 ( 4.252 -0.258 0.000) 4.260 8.256 ( 0.533 6.359 0.000) 6.381 8.442 ( -4.968 -0.010 0.000) 4.968 8.475 ( -5.103 -0.127 0.000) 5.105 9.324 ( 0.025 -0.461 0.000) 0.462 9.376 ( -3.033 -0.535 0.000) 3.080 9.420 ( 0.602 -5.031 0.000) 5.067 9.524 ( -3.309 -4.681 0.000) 5.733 9.709 ( 4.613 -3.190 0.000) 5.608 9.907 ( -4.222 -4.272 0.000) 6.007 9.918 ( 5.345 -4.680 0.000) 7.104 10.078 ( -1.883 -6.400 0.000) 6.671 ======================= Grid point 22 (15/105) ======================= q-point: (-0.50 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -5.582 6.795 0.000) 8.794 1.548 ( 5.582 6.795 0.000) 8.794 1.813 ( -2.247 6.098 0.000) 6.499 1.813 ( 2.247 6.098 0.000) 6.499 1.859 ( -1.088 18.071 0.000) 18.104 1.859 ( 1.088 18.071 0.000) 18.104 1.964 ( -0.034 3.312 0.000) 3.312 1.964 ( 0.034 3.312 0.000) 3.312 2.206 ( -4.041 3.996 0.000) 5.683 2.206 ( 4.041 3.996 0.000) 5.683 2.267 ( -0.939 5.513 0.000) 5.593 2.267 ( 0.939 5.513 0.000) 5.593 2.298 ( -2.546 6.532 0.000) 7.011 2.298 ( 2.546 6.532 0.000) 7.011 2.330 ( -2.660 1.757 0.000) 3.187 2.330 ( 2.660 1.757 0.000) 3.187 3.403 ( -15.895 8.177 0.000) 17.875 3.403 ( 15.895 8.177 0.000) 17.875 3.913 ( -6.517 -3.124 0.000) 7.228 3.913 ( 6.517 -3.124 0.000) 7.228 4.315 ( -1.654 -0.310 0.000) 1.683 4.315 ( 1.654 -0.310 0.000) 1.683 4.644 ( -0.055 -7.693 0.000) 7.694 4.644 ( 0.055 -7.693 0.000) 7.694 5.071 ( -1.733 -13.915 0.000) 14.023 5.071 ( 1.733 -13.915 0.000) 14.023 5.350 ( -3.038 2.628 0.000) 4.017 5.350 ( 3.038 2.628 0.000) 4.017 6.529 ( -4.442 11.238 0.000) 12.085 6.529 ( 4.442 11.238 0.000) 12.085 6.805 ( -1.974 5.397 0.000) 5.747 6.805 ( 1.974 5.397 0.000) 5.747 7.790 ( -0.663 14.541 0.000) 14.556 7.790 ( 0.663 14.541 0.000) 14.556 8.236 ( -1.512 4.009 0.000) 4.284 8.236 ( 1.512 4.009 0.000) 4.284 8.329 ( -5.723 -0.768 0.000) 5.774 8.329 ( 5.723 -0.768 0.000) 5.774 8.361 ( -5.762 0.294 0.000) 5.770 8.361 ( 5.762 0.294 0.000) 5.770 9.332 ( -1.128 -0.561 0.000) 1.260 9.332 ( 1.128 -0.561 0.000) 1.260 9.458 ( -2.738 -4.745 0.000) 5.479 9.458 ( 2.738 -4.745 0.000) 5.479 9.811 ( -4.922 -3.717 0.000) 6.168 9.811 ( 4.922 -3.717 0.000) 6.168 10.016 ( -3.964 -5.657 0.000) 6.908 10.016 ( 3.964 -5.657 0.000) 6.908 ======================= Grid point 27 (16/105) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 0.000 13.537 0.000) 13.537 1.355 ( 0.000 17.416 0.000) 17.416 1.536 ( 0.000 4.073 0.000) 4.073 1.599 ( 0.000 -3.189 0.000) 3.189 1.825 ( 0.000 -0.479 0.000) 0.479 1.831 ( 0.000 10.751 0.000) 10.751 2.034 ( 0.000 2.345 0.000) 2.345 2.146 ( 0.000 14.709 0.000) 14.709 2.300 ( 0.000 6.653 0.000) 6.653 2.356 ( 0.000 12.748 0.000) 12.748 2.372 ( 0.000 18.047 0.000) 18.047 2.384 ( 0.000 -0.011 0.000) 0.011 2.519 ( 0.000 4.056 0.000) 4.056 2.558 ( 0.000 14.411 0.000) 14.411 2.641 ( 0.000 11.359 0.000) 11.359 2.699 ( 0.000 3.341 0.000) 3.341 3.289 ( 0.000 9.844 0.000) 9.844 3.445 ( 0.000 -0.156 0.000) 0.156 3.911 ( 0.000 -3.357 0.000) 3.357 3.943 ( 0.000 0.226 0.000) 0.226 3.946 ( 0.000 -0.413 0.000) 0.413 4.230 ( 0.000 -9.524 0.000) 9.524 4.373 ( 0.000 -5.745 0.000) 5.745 4.434 ( 0.000 -4.111 0.000) 4.111 4.846 ( 0.000 -3.728 0.000) 3.728 5.062 ( 0.000 4.914 0.000) 4.914 5.243 ( 0.000 4.365 0.000) 4.365 5.519 ( 0.000 5.867 0.000) 5.867 6.624 ( 0.000 7.298 0.000) 7.298 7.080 ( 0.000 -3.166 0.000) 3.166 7.109 ( 0.000 4.549 0.000) 4.549 7.632 ( 0.000 -2.604 0.000) 2.604 7.909 ( 0.000 2.126 0.000) 2.126 7.946 ( 0.000 -1.318 0.000) 1.318 8.066 ( 0.000 13.261 0.000) 13.261 8.106 ( 0.000 2.838 0.000) 2.838 8.371 ( 0.000 10.843 0.000) 10.843 8.405 ( 0.000 9.622 0.000) 9.622 8.670 ( 0.000 1.208 0.000) 1.208 8.690 ( 0.000 3.478 0.000) 3.478 9.226 ( 0.000 -0.501 0.000) 0.501 9.294 ( 0.000 -4.342 0.000) 4.342 9.445 ( 0.000 2.864 0.000) 2.864 9.540 ( 0.000 -1.037 0.000) 1.037 9.561 ( 0.000 0.032 0.000) 0.032 9.675 ( 0.000 -3.167 0.000) 3.167 9.931 ( 0.000 -7.262 0.000) 7.262 9.955 ( 0.000 -5.233 0.000) 5.233 ======================= Grid point 28 (17/105) ======================= q-point: ( 0.12 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 4.248 12.072 0.000) 12.797 1.435 ( 7.338 13.291 0.000) 15.182 1.559 ( 2.011 3.695 0.000) 4.207 1.649 ( 4.242 -2.902 0.000) 5.140 1.829 ( 0.431 9.986 0.000) 9.995 1.839 ( 1.073 -1.672 0.000) 1.987 2.033 ( 0.418 3.245 0.000) 3.272 2.174 ( 2.494 13.352 0.000) 13.583 2.279 ( -1.224 9.185 0.000) 9.266 2.337 ( -2.586 9.731 0.000) 10.069 2.376 ( 0.024 2.566 0.000) 2.566 2.398 ( 0.596 9.865 0.000) 9.883 2.512 ( -0.722 4.887 0.000) 4.940 2.559 ( -0.194 12.880 0.000) 12.881 2.608 ( -2.732 10.468 0.000) 10.819 2.685 ( -1.650 4.390 0.000) 4.690 3.215 ( -4.070 14.427 0.000) 14.990 3.476 ( 2.915 -0.356 0.000) 2.937 3.859 ( -2.183 0.932 0.000) 2.374 4.001 ( 2.209 -3.801 0.000) 4.396 4.052 ( 8.383 0.302 0.000) 8.389 4.259 ( 2.658 -9.168 0.000) 9.546 4.361 ( -0.819 -4.535 0.000) 4.609 4.439 ( 0.468 -4.496 0.000) 4.520 4.838 ( -0.619 -4.107 0.000) 4.153 5.051 ( -1.261 2.646 0.000) 2.931 5.254 ( 1.153 5.144 0.000) 5.271 5.518 ( -0.238 5.431 0.000) 5.436 6.624 ( -0.029 7.190 0.000) 7.190 7.048 ( -2.876 -2.422 0.000) 3.760 7.066 ( -3.793 4.549 0.000) 5.923 7.481 ( -12.927 0.800 0.000) 12.951 7.936 ( 1.855 1.800 0.000) 2.584 7.977 ( 3.045 -1.578 0.000) 3.429 8.048 ( -0.618 10.248 0.000) 10.267 8.148 ( 2.828 5.443 0.000) 6.134 8.333 ( -2.328 12.478 0.000) 12.693 8.409 ( 0.252 9.347 0.000) 9.351 8.637 ( -2.767 0.746 0.000) 2.866 8.659 ( -2.951 3.500 0.000) 4.578 9.245 ( 1.968 -0.819 0.000) 2.131 9.324 ( 1.770 -3.764 0.000) 4.159 9.486 ( 2.100 1.531 0.000) 2.599 9.508 ( -2.473 -2.191 0.000) 3.304 9.565 ( 0.397 -0.530 0.000) 0.662 9.682 ( 1.106 -3.013 0.000) 3.210 9.929 ( -0.865 -5.566 0.000) 5.633 9.946 ( -0.182 -6.396 0.000) 6.398 ======================= Grid point 29 (18/105) ======================= q-point: ( 0.25 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 6.105 8.967 0.000) 10.848 1.617 ( 3.670 2.553 0.000) 4.471 1.633 ( 10.627 6.509 0.000) 12.462 1.727 ( 2.074 -1.566 0.000) 2.599 1.872 ( 3.811 7.557 0.000) 8.463 1.877 ( 2.969 -1.898 0.000) 3.524 2.075 ( 3.854 1.642 0.000) 4.189 2.213 ( -1.096 5.254 0.000) 5.367 2.261 ( -0.504 10.694 0.000) 10.706 2.287 ( 0.144 11.867 0.000) 11.868 2.351 ( -4.710 0.202 0.000) 4.714 2.370 ( -0.904 4.197 0.000) 4.294 2.490 ( -1.247 6.232 0.000) 6.355 2.523 ( -5.879 5.046 0.000) 7.747 2.537 ( -2.121 9.680 0.000) 9.909 2.633 ( -2.777 7.415 0.000) 7.918 3.229 ( 5.975 22.173 0.000) 22.964 3.563 ( 5.369 -1.381 0.000) 5.544 3.835 ( -0.611 4.019 0.000) 4.065 4.005 ( -2.030 -4.531 0.000) 4.965 4.216 ( 6.303 1.630 0.000) 6.511 4.334 ( 4.469 -9.473 0.000) 10.474 4.350 ( -0.134 -1.592 0.000) 1.597 4.452 ( 0.764 -5.660 0.000) 5.712 4.826 ( -0.393 -4.932 0.000) 4.948 5.004 ( -3.225 -1.439 0.000) 3.532 5.294 ( 2.627 5.639 0.000) 6.221 5.505 ( -1.018 4.493 0.000) 4.607 6.624 ( 0.044 6.798 0.000) 6.798 6.965 ( -5.201 -1.169 0.000) 5.331 6.975 ( -4.362 4.338 0.000) 6.152 7.182 ( -13.784 5.786 0.000) 14.949 7.978 ( 2.257 2.759 0.000) 3.564 8.050 ( 0.638 9.746 0.000) 9.767 8.062 ( 4.887 -1.844 0.000) 5.223 8.208 ( 2.809 5.085 0.000) 5.809 8.310 ( 0.192 12.802 0.000) 12.803 8.411 ( -0.113 8.398 0.000) 8.399 8.568 ( -3.788 0.849 0.000) 3.882 8.576 ( -4.625 2.994 0.000) 5.510 9.298 ( 2.675 -0.679 0.000) 2.760 9.332 ( -1.065 -3.093 0.000) 3.271 9.423 ( -4.363 -2.400 0.000) 4.980 9.512 ( -0.809 -0.515 0.000) 0.959 9.586 ( 1.954 -1.701 0.000) 2.591 9.734 ( 3.790 -3.321 0.000) 5.039 9.889 ( -2.609 -4.229 0.000) 4.970 9.951 ( 0.131 -6.967 0.000) 6.968 ======================= Grid point 30 (19/105) ======================= q-point: ( 0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 5.751 5.967 0.000) 8.287 1.716 ( 5.662 0.706 0.000) 5.706 1.716 ( -1.389 1.818 0.000) 2.288 1.841 ( 6.042 0.954 0.000) 6.117 1.936 ( 2.874 0.222 0.000) 2.883 1.969 ( 4.836 4.325 0.000) 6.488 2.143 ( -3.747 3.106 0.000) 4.867 2.180 ( 2.827 -2.726 0.000) 3.927 2.215 ( -1.925 6.463 0.000) 6.744 2.298 ( 1.501 3.904 0.000) 4.182 2.303 ( -0.903 4.509 0.000) 4.598 2.364 ( 0.861 9.133 0.000) 9.174 2.391 ( -5.725 2.427 0.000) 6.218 2.455 ( -3.314 5.709 0.000) 6.601 2.484 ( -1.280 7.544 0.000) 7.652 2.575 ( -2.936 9.424 0.000) 9.870 3.421 ( 11.148 20.832 0.000) 23.627 3.690 ( 6.473 -3.595 0.000) 7.404 3.799 ( -3.953 8.044 0.000) 8.963 3.926 ( -4.937 -4.643 0.000) 6.777 4.304 ( 2.620 2.582 0.000) 3.678 4.350 ( -0.144 1.455 0.000) 1.462 4.426 ( 3.697 -9.295 0.000) 10.003 4.470 ( 0.810 -7.438 0.000) 7.482 4.829 ( 0.766 -5.552 0.000) 5.604 4.928 ( -3.717 -4.306 0.000) 5.689 5.356 ( 3.188 4.771 0.000) 5.739 5.473 ( -2.092 3.787 0.000) 4.326 6.632 ( 1.087 5.961 0.000) 6.060 6.821 ( -8.068 2.041 0.000) 8.322 6.908 ( -1.689 4.189 0.000) 4.516 6.979 ( -5.608 5.822 0.000) 8.084 8.026 ( 2.197 5.446 0.000) 5.872 8.064 ( 0.494 9.879 0.000) 9.892 8.170 ( 5.258 -2.149 0.000) 5.680 8.259 ( 1.857 2.934 0.000) 3.472 8.337 ( 2.279 10.485 0.000) 10.730 8.403 ( -0.589 7.394 0.000) 7.418 8.470 ( -4.966 4.047 0.000) 6.406 8.490 ( -4.031 1.753 0.000) 4.396 9.298 ( -1.422 -3.755 0.000) 4.015 9.339 ( -3.433 -3.217 0.000) 4.705 9.350 ( 2.370 0.600 0.000) 2.445 9.467 ( -3.007 -0.075 0.000) 3.008 9.650 ( 3.995 -2.491 0.000) 4.708 9.821 ( 4.134 -4.554 0.000) 6.150 9.824 ( -3.659 -3.651 0.000) 5.169 9.940 ( -1.300 -6.656 0.000) 6.782 ======================= Grid point 31 (20/105) ======================= q-point: (-0.50 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( -3.789 3.632 0.000) 5.249 1.663 ( 3.789 3.632 0.000) 5.249 1.831 ( -4.635 -0.581 0.000) 4.671 1.831 ( 4.635 -0.581 0.000) 4.671 2.019 ( -2.245 0.685 0.000) 2.347 2.019 ( 2.245 0.685 0.000) 2.347 2.108 ( -2.202 4.547 0.000) 5.052 2.108 ( 2.202 4.547 0.000) 5.052 2.290 ( -0.119 -0.295 0.000) 0.319 2.290 ( 0.119 -0.295 0.000) 0.319 2.339 ( -3.216 6.565 0.000) 7.311 2.339 ( 3.216 6.565 0.000) 7.311 2.362 ( -3.971 4.143 0.000) 5.739 2.362 ( 3.971 4.143 0.000) 5.739 2.512 ( -2.934 9.627 0.000) 10.064 2.512 ( 2.934 9.627 0.000) 10.064 3.649 ( -9.937 14.982 0.000) 17.978 3.649 ( 9.937 14.982 0.000) 17.978 3.818 ( -5.609 -5.508 0.000) 7.861 3.818 ( 5.609 -5.508 0.000) 7.861 4.339 ( -0.968 2.848 0.000) 3.008 4.339 ( 0.968 2.848 0.000) 3.008 4.473 ( -0.828 -8.637 0.000) 8.676 4.473 ( 0.828 -8.637 0.000) 8.676 4.862 ( -2.459 -5.533 0.000) 6.055 4.862 ( 2.459 -5.533 0.000) 6.055 5.420 ( -2.913 3.875 0.000) 4.848 5.420 ( 2.913 3.875 0.000) 4.848 6.685 ( -4.432 4.670 0.000) 6.438 6.685 ( 4.432 4.670 0.000) 6.438 6.908 ( -1.646 4.518 0.000) 4.809 6.908 ( 1.646 4.518 0.000) 4.809 8.061 ( -0.949 8.594 0.000) 8.646 8.061 ( 0.949 8.594 0.000) 8.646 8.260 ( -2.499 -1.535 0.000) 2.933 8.260 ( 2.499 -1.535 0.000) 2.933 8.390 ( -2.332 8.044 0.000) 8.375 8.390 ( 2.332 8.044 0.000) 8.375 8.412 ( -2.787 4.656 0.000) 5.427 8.412 ( 2.787 4.656 0.000) 5.427 9.291 ( -0.965 -3.507 0.000) 3.638 9.291 ( 0.965 -3.507 0.000) 3.638 9.404 ( -2.862 0.371 0.000) 2.886 9.404 ( 2.862 0.371 0.000) 2.886 9.739 ( -4.375 -3.076 0.000) 5.348 9.739 ( 4.375 -3.076 0.000) 5.348 9.896 ( -2.958 -5.818 0.000) 6.527 9.896 ( 2.958 -5.818 0.000) 6.527 ======================= Grid point 36 (21/105) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 0.000 5.765 0.000) 5.765 1.580 ( 0.000 2.703 0.000) 2.703 1.639 ( 0.000 6.079 0.000) 6.079 1.665 ( 0.000 12.211 0.000) 12.211 1.727 ( 0.000 -6.870 0.000) 6.870 2.025 ( 0.000 7.721 0.000) 7.721 2.120 ( 0.000 4.649 0.000) 4.649 2.334 ( 0.000 -0.945 0.000) 0.945 2.344 ( 0.000 -4.002 0.000) 4.002 2.395 ( 0.000 9.606 0.000) 9.606 2.501 ( 0.000 2.682 0.000) 2.682 2.578 ( 0.000 3.430 0.000) 3.430 2.662 ( 0.000 8.893 0.000) 8.893 2.817 ( 0.000 10.395 0.000) 10.395 2.818 ( 0.000 5.522 0.000) 5.522 2.819 ( 0.000 5.587 0.000) 5.587 3.402 ( 0.000 -2.855 0.000) 2.855 3.579 ( 0.000 16.297 0.000) 16.297 3.797 ( 0.000 -7.042 0.000) 7.042 3.898 ( 0.000 -4.643 0.000) 4.643 4.011 ( 0.000 5.953 0.000) 5.953 4.043 ( 0.000 -8.389 0.000) 8.389 4.331 ( 0.000 2.261 0.000) 2.261 4.412 ( 0.000 2.206 0.000) 2.206 4.875 ( 0.000 6.023 0.000) 6.023 5.208 ( 0.000 8.532 0.000) 8.532 5.376 ( 0.000 7.723 0.000) 7.723 5.615 ( 0.000 3.007 0.000) 3.007 6.751 ( 0.000 5.197 0.000) 5.197 7.045 ( 0.000 0.569 0.000) 0.569 7.145 ( 0.000 -0.479 0.000) 0.479 7.581 ( 0.000 -2.315 0.000) 2.315 7.931 ( 0.000 -0.150 0.000) 0.150 7.949 ( 0.000 1.606 0.000) 1.606 8.179 ( 0.000 3.941 0.000) 3.941 8.249 ( 0.000 4.359 0.000) 4.359 8.589 ( 0.000 8.093 0.000) 8.093 8.589 ( 0.000 9.876 0.000) 9.876 8.727 ( 0.000 0.489 0.000) 0.489 8.744 ( 0.000 6.128 0.000) 6.128 9.236 ( 0.000 0.870 0.000) 0.870 9.247 ( 0.000 -0.464 0.000) 0.464 9.510 ( 0.000 3.426 0.000) 3.426 9.530 ( 0.000 0.154 0.000) 0.154 9.571 ( 0.000 0.963 0.000) 0.963 9.613 ( 0.000 -2.596 0.000) 2.596 9.804 ( 0.000 -5.014 0.000) 5.014 9.856 ( 0.000 -4.372 0.000) 4.372 ======================= Grid point 37 (22/105) ======================= q-point: ( 0.12 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 2.084 4.821 0.000) 5.252 1.625 ( 3.827 1.225 0.000) 4.019 1.660 ( 1.773 6.142 0.000) 6.393 1.675 ( 1.474 9.932 0.000) 10.040 1.742 ( 1.570 -5.900 0.000) 6.105 2.008 ( -1.127 7.167 0.000) 7.255 2.116 ( -0.307 4.113 0.000) 4.125 2.311 ( -2.465 -1.263 0.000) 2.770 2.324 ( -0.926 -0.870 0.000) 1.271 2.427 ( 2.087 6.206 0.000) 6.548 2.469 ( -2.880 1.948 0.000) 3.477 2.534 ( -4.220 2.595 0.000) 4.954 2.658 ( -0.322 8.408 0.000) 8.414 2.747 ( -5.773 4.448 0.000) 7.288 2.789 ( -2.820 8.960 0.000) 9.394 2.806 ( -1.785 4.422 0.000) 4.769 3.435 ( 3.078 -1.820 0.000) 3.576 3.597 ( 2.584 19.354 0.000) 19.526 3.832 ( 2.519 -4.124 0.000) 4.832 3.889 ( -0.213 -6.217 0.000) 6.220 4.042 ( 3.658 -6.280 0.000) 7.268 4.143 ( 7.320 2.641 0.000) 7.782 4.337 ( 0.486 2.627 0.000) 2.671 4.421 ( 0.728 2.804 0.000) 2.897 4.860 ( -1.305 5.698 0.000) 5.845 5.162 ( -4.066 7.513 0.000) 8.542 5.393 ( 1.308 7.500 0.000) 7.613 5.606 ( -0.923 2.686 0.000) 2.840 6.748 ( -0.298 5.062 0.000) 5.071 7.023 ( -2.033 0.769 0.000) 2.173 7.108 ( -3.343 -0.010 0.000) 3.343 7.478 ( -9.171 -0.722 0.000) 9.199 7.951 ( 1.809 -0.152 0.000) 1.815 7.971 ( 2.128 0.908 0.000) 2.314 8.163 ( -0.923 3.693 0.000) 3.807 8.271 ( 1.434 3.402 0.000) 3.692 8.565 ( -0.958 9.132 0.000) 9.182 8.599 ( -0.184 9.151 0.000) 9.153 8.663 ( -3.877 0.930 0.000) 3.987 8.747 ( -1.619 6.015 0.000) 6.229 9.224 ( 0.902 -1.083 0.000) 1.410 9.308 ( 3.104 1.598 0.000) 3.491 9.480 ( -3.951 -0.345 0.000) 3.966 9.531 ( 1.012 2.695 0.000) 2.878 9.557 ( -0.905 -0.408 0.000) 0.992 9.630 ( 1.560 -1.720 0.000) 2.323 9.814 ( 0.682 -5.071 0.000) 5.117 9.844 ( -1.034 -3.961 0.000) 4.093 ======================= Grid point 38 (23/105) ======================= q-point: ( 0.25 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 3.411 2.715 0.000) 4.359 1.691 ( 1.934 -2.269 0.000) 2.981 1.702 ( 2.239 5.593 0.000) 6.024 1.739 ( 4.192 3.553 0.000) 5.496 1.817 ( 5.909 -1.623 0.000) 6.128 2.002 ( 0.825 5.162 0.000) 5.227 2.114 ( 0.408 2.117 0.000) 2.156 2.243 ( -4.025 -0.577 0.000) 4.066 2.294 ( -2.337 -1.253 0.000) 2.652 2.400 ( -3.362 0.034 0.000) 3.362 2.421 ( -5.582 1.578 0.000) 5.800 2.468 ( 1.832 4.820 0.000) 5.157 2.605 ( -6.968 3.866 0.000) 7.969 2.644 ( -1.187 6.653 0.000) 6.758 2.698 ( -5.755 6.364 0.000) 8.580 2.762 ( -2.300 3.407 0.000) 4.111 3.519 ( 4.721 -0.941 0.000) 4.814 3.698 ( 6.751 21.076 0.000) 22.131 3.833 ( -1.840 -4.425 0.000) 4.792 3.940 ( 3.952 -2.371 0.000) 4.609 4.138 ( 4.917 -9.120 0.000) 10.361 4.296 ( 6.643 5.289 0.000) 8.491 4.345 ( 0.058 2.367 0.000) 2.368 4.440 ( 1.038 4.408 0.000) 4.529 4.830 ( -1.348 4.778 0.000) 4.964 5.054 ( -5.961 5.665 0.000) 8.223 5.422 ( 1.435 6.168 0.000) 6.333 5.577 ( -1.787 2.019 0.000) 2.696 6.739 ( -0.566 4.677 0.000) 4.711 6.960 ( -4.126 1.221 0.000) 4.303 7.026 ( -3.858 1.037 0.000) 3.995 7.253 ( -10.970 2.001 0.000) 11.151 7.999 ( 2.777 0.180 0.000) 2.783 8.037 ( 4.066 -0.639 0.000) 4.116 8.155 ( 0.152 2.618 0.000) 2.622 8.291 ( 0.293 1.326 0.000) 1.358 8.557 ( 0.044 8.563 0.000) 8.563 8.582 ( -1.271 9.014 0.000) 9.104 8.586 ( -3.376 0.451 0.000) 3.406 8.687 ( -3.535 7.119 0.000) 7.949 9.250 ( 0.721 -1.322 0.000) 1.506 9.357 ( 1.849 3.099 0.000) 3.609 9.382 ( -4.945 -0.691 0.000) 4.993 9.537 ( -0.781 2.223 0.000) 2.356 9.557 ( 1.295 -1.122 0.000) 1.714 9.676 ( 2.755 -2.379 0.000) 3.640 9.812 ( -1.858 -3.831 0.000) 4.257 9.824 ( -0.054 -4.801 0.000) 4.801 ======================= Grid point 39 (24/105) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 3.322 0.455 0.000) 3.353 1.705 ( -0.378 -2.554 0.000) 2.582 1.760 ( 3.479 3.397 0.000) 4.863 1.829 ( 3.166 -1.528 0.000) 3.516 1.945 ( 5.529 1.055 0.000) 5.629 2.029 ( 1.117 2.169 0.000) 2.440 2.138 ( 1.045 -0.991 0.000) 1.441 2.162 ( -3.151 -0.186 0.000) 3.156 2.226 ( -2.180 -0.788 0.000) 2.318 2.330 ( -3.374 -0.661 0.000) 3.438 2.352 ( -0.957 -0.090 0.000) 0.962 2.490 ( -1.157 2.892 0.000) 3.115 2.495 ( -2.783 5.234 0.000) 5.928 2.553 ( -6.024 3.021 0.000) 6.739 2.630 ( -0.401 5.911 0.000) 5.925 2.711 ( -2.628 3.282 0.000) 4.205 3.619 ( 4.657 -1.724 0.000) 4.966 3.782 ( -2.998 -4.588 0.000) 5.481 3.850 ( 7.158 18.840 0.000) 20.154 4.000 ( 1.120 4.319 0.000) 4.461 4.229 ( 3.656 -8.583 0.000) 9.329 4.330 ( -1.464 -0.472 0.000) 1.538 4.405 ( 3.821 6.082 0.000) 7.183 4.460 ( 0.676 5.984 0.000) 6.022 4.816 ( 0.258 3.774 0.000) 3.783 4.932 ( -5.327 4.104 0.000) 6.725 5.453 ( 1.578 4.082 0.000) 4.376 5.534 ( -2.223 1.690 0.000) 2.792 6.731 ( 0.110 4.098 0.000) 4.100 6.855 ( -5.547 2.207 0.000) 5.970 6.971 ( -1.093 2.093 0.000) 2.362 7.070 ( -6.275 3.161 0.000) 7.026 8.064 ( 3.398 0.161 0.000) 3.402 8.130 ( 4.642 -1.720 0.000) 4.951 8.158 ( -0.244 1.321 0.000) 1.344 8.277 ( -1.735 -1.007 0.000) 2.006 8.525 ( -2.293 1.565 0.000) 2.776 8.538 ( -1.962 5.672 0.000) 6.002 8.574 ( 0.654 9.583 0.000) 9.605 8.623 ( -2.240 7.823 0.000) 8.138 9.246 ( -0.614 -0.078 0.000) 0.619 9.292 ( -3.394 -0.180 0.000) 3.399 9.399 ( 2.153 3.383 0.000) 4.010 9.500 ( -2.435 2.685 0.000) 3.625 9.610 ( 3.456 -1.454 0.000) 3.749 9.736 ( 2.792 -3.761 0.000) 4.684 9.760 ( -3.036 -2.625 0.000) 4.013 9.815 ( -0.907 -5.411 0.000) 5.486 ======================= Grid point 40 (25/105) ======================= q-point: (-0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( -2.091 -1.391 0.000) 2.511 1.679 ( 2.091 -1.391 0.000) 2.511 1.832 ( -2.600 0.107 0.000) 2.602 1.832 ( 2.600 0.107 0.000) 2.602 2.024 ( -1.862 0.726 0.000) 1.998 2.024 ( 1.862 0.726 0.000) 1.998 2.128 ( -0.073 -0.580 0.000) 0.585 2.128 ( 0.073 -0.580 0.000) 0.585 2.265 ( -3.142 -1.618 0.000) 3.534 2.265 ( 3.142 -1.618 0.000) 3.534 2.384 ( -4.850 0.241 0.000) 4.856 2.384 ( 4.850 0.241 0.000) 4.856 2.494 ( -1.765 5.087 0.000) 5.385 2.494 ( 1.765 5.087 0.000) 5.385 2.655 ( -2.450 3.867 0.000) 4.578 2.655 ( 2.450 3.867 0.000) 4.578 3.709 ( -3.971 -3.343 0.000) 5.191 3.709 ( 3.971 -3.343 0.000) 5.191 3.971 ( -3.951 12.799 0.000) 13.395 3.971 ( 3.951 12.799 0.000) 13.395 4.290 ( -2.353 -5.543 0.000) 6.022 4.290 ( 2.353 -5.543 0.000) 6.022 4.456 ( -1.207 6.406 0.000) 6.519 4.456 ( 1.207 6.406 0.000) 6.519 4.847 ( -2.783 3.453 0.000) 4.435 4.847 ( 2.783 3.453 0.000) 4.435 5.490 ( -2.006 2.343 0.000) 3.084 5.490 ( 2.006 2.343 0.000) 3.084 6.760 ( -3.024 3.373 0.000) 4.530 6.760 ( 3.024 3.373 0.000) 4.530 6.984 ( -2.288 2.827 0.000) 3.637 6.984 ( 2.288 2.827 0.000) 3.637 8.130 ( -2.537 0.378 0.000) 2.565 8.130 ( 2.537 0.378 0.000) 2.565 8.220 ( -3.716 -2.142 0.000) 4.289 8.220 ( 3.716 -2.142 0.000) 4.289 8.506 ( -0.601 3.934 0.000) 3.980 8.506 ( 0.601 3.934 0.000) 3.980 8.592 ( -1.042 8.375 0.000) 8.440 8.592 ( 1.042 8.375 0.000) 8.440 9.246 ( -0.985 0.400 0.000) 1.063 9.246 ( 0.985 0.400 0.000) 1.063 9.447 ( -2.519 3.206 0.000) 4.077 9.447 ( 2.519 3.206 0.000) 4.077 9.688 ( -3.810 -1.959 0.000) 4.284 9.688 ( 3.810 -1.959 0.000) 4.284 9.786 ( -1.941 -4.881 0.000) 5.253 9.786 ( 1.941 -4.881 0.000) 5.253 ======================= Grid point 45 (26/105) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 0.000 4.436 0.000) 4.436 1.601 ( 0.000 -4.439 0.000) 4.439 1.655 ( 0.000 2.357 0.000) 2.357 1.781 ( 0.000 7.439 0.000) 7.439 1.882 ( 0.000 9.883 0.000) 9.883 2.129 ( 0.000 2.096 0.000) 2.096 2.196 ( 0.000 2.301 0.000) 2.301 2.204 ( 0.000 -9.509 0.000) 9.509 2.327 ( 0.000 0.856 0.000) 0.856 2.534 ( 0.000 4.068 0.000) 4.068 2.543 ( 0.000 1.753 0.000) 1.753 2.572 ( 0.000 -3.086 0.000) 3.086 2.832 ( 0.000 7.569 0.000) 7.569 2.876 ( 0.000 0.658 0.000) 0.658 2.883 ( 0.000 0.931 0.000) 0.931 2.974 ( 0.000 4.991 0.000) 4.991 3.381 ( 0.000 1.621 0.000) 1.621 3.677 ( 0.000 -3.823 0.000) 3.823 3.786 ( 0.000 -5.424 0.000) 5.424 3.791 ( 0.000 -2.438 0.000) 2.438 3.972 ( 0.000 7.165 0.000) 7.165 4.144 ( 0.000 5.830 0.000) 5.830 4.427 ( 0.000 5.728 0.000) 5.728 4.487 ( 0.000 4.019 0.000) 4.019 5.063 ( 0.000 11.564 0.000) 11.564 5.385 ( 0.000 8.259 0.000) 8.259 5.522 ( 0.000 5.689 0.000) 5.689 5.626 ( 0.000 -2.240 0.000) 2.240 6.847 ( 0.000 4.485 0.000) 4.485 7.108 ( 0.000 -2.814 0.000) 2.814 7.115 ( 0.000 6.137 0.000) 6.137 7.529 ( 0.000 -3.227 0.000) 3.227 7.937 ( 0.000 0.643 0.000) 0.643 7.970 ( 0.000 0.457 0.000) 0.457 8.244 ( 0.000 1.858 0.000) 1.858 8.278 ( 0.000 -0.491 0.000) 0.491 8.729 ( 0.000 5.470 0.000) 5.470 8.752 ( 0.000 3.024 0.000) 3.024 8.755 ( 0.000 5.924 0.000) 5.924 8.881 ( 0.000 5.923 0.000) 5.923 9.236 ( 0.000 -1.158 0.000) 1.158 9.248 ( 0.000 -0.117 0.000) 0.117 9.548 ( 0.000 1.558 0.000) 1.558 9.581 ( 0.000 3.291 0.000) 3.291 9.582 ( 0.000 -0.276 0.000) 0.276 9.595 ( 0.000 1.099 0.000) 1.099 9.724 ( 0.000 -2.945 0.000) 2.945 9.780 ( 0.000 -3.068 0.000) 3.068 ======================= Grid point 46 (27/105) ======================= q-point: ( 0.12 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 0.949 4.071 0.000) 4.180 1.607 ( 0.744 -3.353 0.000) 3.435 1.691 ( 2.834 0.194 0.000) 2.840 1.798 ( 1.293 6.859 0.000) 6.980 1.861 ( -1.139 9.026 0.000) 9.098 2.105 ( -1.705 1.542 0.000) 2.299 2.184 ( -1.225 2.063 0.000) 2.400 2.213 ( 0.497 -6.883 0.000) 6.901 2.319 ( -0.770 0.862 0.000) 1.156 2.490 ( -4.924 0.897 0.000) 5.005 2.522 ( -0.817 2.095 0.000) 2.249 2.526 ( -4.286 -2.473 0.000) 4.948 2.801 ( -6.488 0.915 0.000) 6.552 2.812 ( -1.923 6.669 0.000) 6.941 2.836 ( -3.531 -0.860 0.000) 3.634 2.926 ( -4.414 4.576 0.000) 6.358 3.432 ( 4.369 2.290 0.000) 4.932 3.735 ( 4.711 -3.935 0.000) 6.138 3.776 ( -0.556 -4.613 0.000) 4.646 3.859 ( 5.349 -5.543 0.000) 7.703 3.976 ( 1.925 11.920 0.000) 12.075 4.241 ( 7.460 4.505 0.000) 8.715 4.440 ( 1.124 6.124 0.000) 6.226 4.506 ( 1.701 4.371 0.000) 4.691 5.043 ( -1.826 11.390 0.000) 11.535 5.332 ( -4.702 8.477 0.000) 9.694 5.526 ( 0.049 4.744 0.000) 4.744 5.611 ( -1.423 -2.479 0.000) 2.859 6.841 ( -0.542 4.336 0.000) 4.370 7.082 ( -2.334 -2.250 0.000) 3.242 7.092 ( -2.227 5.744 0.000) 6.161 7.452 ( -6.987 -2.144 0.000) 7.308 7.954 ( 1.665 0.494 0.000) 1.736 7.985 ( 1.390 0.286 0.000) 1.419 8.220 ( -1.583 1.686 0.000) 2.313 8.288 ( 0.335 -0.845 0.000) 0.909 8.689 ( -4.536 2.615 0.000) 5.235 8.710 ( -1.360 5.368 0.000) 5.538 8.753 ( -0.565 5.312 0.000) 5.342 8.868 ( -2.437 4.126 0.000) 4.792 9.216 ( 1.581 0.584 0.000) 1.685 9.340 ( 4.925 0.632 0.000) 4.965 9.498 ( -3.951 2.050 0.000) 4.451 9.551 ( -1.684 0.268 0.000) 1.705 9.589 ( 0.327 2.682 0.000) 2.702 9.614 ( 0.923 -0.224 0.000) 0.950 9.728 ( 0.085 -3.319 0.000) 3.320 9.778 ( -0.237 -2.657 0.000) 2.668 ======================= Grid point 47 (28/105) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 1.601 2.908 0.000) 3.320 1.628 ( 1.105 -2.708 0.000) 2.924 1.746 ( 2.124 -1.850 0.000) 2.817 1.817 ( 0.342 4.822 0.000) 4.834 1.880 ( 3.510 5.839 0.000) 6.813 2.081 ( -0.327 2.457 0.000) 2.478 2.149 ( -1.771 0.698 0.000) 1.904 2.207 ( -1.433 -2.740 0.000) 3.092 2.291 ( -2.206 1.087 0.000) 2.459 2.371 ( -5.453 -1.808 0.000) 5.745 2.413 ( -5.589 -1.255 0.000) 5.728 2.510 ( -0.425 -1.305 0.000) 1.372 2.654 ( -6.650 0.859 0.000) 6.705 2.737 ( -5.560 3.891 0.000) 6.786 2.767 ( -2.814 -2.277 0.000) 3.620 2.812 ( -5.896 4.126 0.000) 7.196 3.535 ( 4.992 2.889 0.000) 5.768 3.750 ( -0.950 -2.672 0.000) 2.835 3.859 ( 5.638 -4.569 0.000) 7.257 3.953 ( 3.392 -7.771 0.000) 8.479 4.083 ( 7.605 14.805 0.000) 16.644 4.400 ( 7.212 3.986 0.000) 8.240 4.462 ( 0.604 7.207 0.000) 7.232 4.550 ( 2.228 5.068 0.000) 5.537 4.996 ( -2.383 10.783 0.000) 11.043 5.208 ( -6.793 8.719 0.000) 11.053 5.517 ( -0.833 2.498 0.000) 2.634 5.570 ( -2.309 -2.987 0.000) 3.776 6.826 ( -0.846 4.108 0.000) 4.194 7.024 ( -4.229 4.895 0.000) 6.469 7.026 ( -2.553 -0.966 0.000) 2.730 7.274 ( -9.070 -0.117 0.000) 9.071 8.002 ( 2.754 0.246 0.000) 2.765 8.029 ( 2.880 -0.321 0.000) 2.898 8.192 ( -1.097 1.159 0.000) 1.596 8.281 ( -1.067 -1.639 0.000) 1.956 8.602 ( -3.449 1.754 0.000) 3.869 8.679 ( -1.749 4.302 0.000) 4.644 8.726 ( -1.913 4.102 0.000) 4.526 8.787 ( -4.491 1.589 0.000) 4.764 9.273 ( 2.786 3.472 0.000) 4.452 9.411 ( -3.935 3.377 0.000) 5.185 9.426 ( 3.024 3.034 0.000) 4.284 9.537 ( 0.838 -0.831 0.000) 1.180 9.586 ( -0.720 2.145 0.000) 2.262 9.634 ( 1.132 -1.901 0.000) 2.212 9.722 ( -0.604 -3.777 0.000) 3.825 9.765 ( -1.144 -2.198 0.000) 2.478 ======================= Grid point 48 (29/105) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 1.430 1.191 0.000) 1.860 1.648 ( 0.653 -2.051 0.000) 2.153 1.785 ( 1.635 -2.872 0.000) 3.305 1.816 ( -0.194 1.193 0.000) 1.208 1.981 ( 5.196 2.245 0.000) 5.660 2.082 ( -0.038 3.646 0.000) 3.646 2.129 ( -0.006 -0.520 0.000) 0.520 2.156 ( -2.729 -0.085 0.000) 2.730 2.224 ( -3.213 1.024 0.000) 3.372 2.283 ( -3.277 -3.718 0.000) 4.956 2.340 ( -1.063 -0.783 0.000) 1.320 2.478 ( -3.908 -3.549 0.000) 5.279 2.557 ( -2.217 1.272 0.000) 2.556 2.619 ( -4.008 3.399 0.000) 5.255 2.701 ( -4.162 1.427 0.000) 4.400 2.716 ( -2.280 -2.254 0.000) 3.206 3.626 ( 3.673 2.542 0.000) 4.466 3.727 ( -1.411 -0.518 0.000) 1.503 3.958 ( 3.711 -5.464 0.000) 6.605 4.005 ( 1.453 -6.397 0.000) 6.560 4.246 ( 7.415 12.532 0.000) 14.561 4.451 ( -1.943 8.843 0.000) 9.054 4.524 ( 4.523 4.520 0.000) 6.394 4.588 ( 1.143 5.390 0.000) 5.510 4.961 ( -0.684 9.792 0.000) 9.816 5.071 ( -5.898 8.824 0.000) 10.613 5.498 ( -0.776 -0.192 0.000) 0.800 5.523 ( -2.030 -3.162 0.000) 3.757 6.814 ( -0.034 4.184 0.000) 4.184 6.924 ( -5.024 4.449 0.000) 6.710 6.995 ( -0.202 0.109 0.000) 0.229 7.112 ( -6.087 0.855 0.000) 6.147 8.064 ( 3.154 0.010 0.000) 3.154 8.100 ( 3.774 -1.213 0.000) 3.965 8.169 ( -1.353 0.210 0.000) 1.369 8.243 ( -2.559 -1.999 0.000) 3.247 8.555 ( -0.925 1.673 0.000) 1.912 8.627 ( -3.146 3.129 0.000) 4.437 8.691 ( -1.181 2.229 0.000) 2.523 8.709 ( -2.695 0.458 0.000) 2.734 9.309 ( 0.732 5.597 0.000) 5.645 9.347 ( -2.128 5.025 0.000) 5.456 9.474 ( 2.070 3.731 0.000) 4.267 9.559 ( -1.792 2.528 0.000) 3.099 9.585 ( 3.225 -1.266 0.000) 3.464 9.663 ( 1.628 -3.436 0.000) 3.802 9.703 ( -1.420 -3.417 0.000) 3.700 9.731 ( -1.897 -2.454 0.000) 3.102 ======================= Grid point 49 (30/105) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( -0.505 -0.600 0.000) 0.785 1.650 ( 0.505 -0.600 0.000) 0.785 1.809 ( -0.680 -2.392 0.000) 2.487 1.809 ( 0.680 -2.392 0.000) 2.487 2.065 ( -2.335 2.611 0.000) 3.503 2.065 ( 2.335 2.611 0.000) 3.503 2.120 ( -0.011 0.619 0.000) 0.619 2.120 ( 0.011 0.619 0.000) 0.619 2.224 ( -2.450 -2.367 0.000) 3.407 2.224 ( 2.450 -2.367 0.000) 3.407 2.371 ( -4.264 -1.411 0.000) 4.491 2.371 ( 4.264 -1.411 0.000) 4.491 2.561 ( -2.137 1.913 0.000) 2.868 2.561 ( 2.137 1.913 0.000) 2.868 2.675 ( -1.256 -1.364 0.000) 1.854 2.675 ( 1.256 -1.364 0.000) 1.854 3.688 ( -2.364 1.321 0.000) 2.708 3.688 ( 2.364 1.321 0.000) 2.708 4.009 ( -1.109 -6.065 0.000) 6.165 4.009 ( 1.109 -6.065 0.000) 6.165 4.377 ( -5.075 10.733 0.000) 11.872 4.377 ( 5.075 10.733 0.000) 11.872 4.586 ( -1.455 5.166 0.000) 5.367 4.586 ( 1.455 5.166 0.000) 5.367 4.980 ( -2.659 9.038 0.000) 9.421 4.980 ( 2.659 9.038 0.000) 9.421 5.494 ( -0.592 -2.298 0.000) 2.373 5.494 ( 0.592 -2.298 0.000) 2.373 6.839 ( -2.711 4.406 0.000) 5.173 6.839 ( 2.711 4.406 0.000) 5.173 7.021 ( -2.766 0.671 0.000) 2.846 7.021 ( 2.766 0.671 0.000) 2.846 8.127 ( -2.703 -0.212 0.000) 2.711 8.127 ( 2.703 -0.212 0.000) 2.711 8.178 ( -3.563 -1.852 0.000) 4.016 8.178 ( 3.563 -1.852 0.000) 4.016 8.568 ( -2.073 2.307 0.000) 3.101 8.568 ( 2.073 2.307 0.000) 3.101 8.680 ( -0.242 0.723 0.000) 0.762 8.680 ( 0.242 0.723 0.000) 0.762 9.319 ( -0.663 5.959 0.000) 5.995 9.319 ( 0.663 5.959 0.000) 5.995 9.517 ( -2.078 3.270 0.000) 3.874 9.517 ( 2.078 3.270 0.000) 3.874 9.654 ( -3.150 -1.665 0.000) 3.563 9.654 ( 3.150 -1.665 0.000) 3.563 9.696 ( -1.512 -3.778 0.000) 4.069 9.696 ( 1.512 -3.778 0.000) 4.069 ======================= Grid point 54 (31/105) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 0.000 1.492 0.000) 1.492 1.635 ( 0.000 -3.466 0.000) 3.466 1.691 ( 0.000 8.890 0.000) 8.890 1.874 ( 0.000 -3.879 0.000) 3.879 2.033 ( 0.000 -1.140 0.000) 1.140 2.078 ( 0.000 8.452 0.000) 8.452 2.109 ( 0.000 -3.715 0.000) 3.715 2.195 ( 0.000 -2.735 0.000) 2.735 2.377 ( 0.000 3.958 0.000) 3.958 2.478 ( 0.000 -5.433 0.000) 5.433 2.572 ( 0.000 0.905 0.000) 0.905 2.576 ( 0.000 0.578 0.000) 0.578 2.875 ( 0.000 -0.091 0.000) 0.091 2.881 ( 0.000 -0.554 0.000) 0.554 2.964 ( 0.000 5.024 0.000) 5.024 3.022 ( 0.000 -0.346 0.000) 0.346 3.474 ( 0.000 7.092 0.000) 7.092 3.643 ( 0.000 -8.704 0.000) 8.704 3.648 ( 0.000 0.706 0.000) 0.706 3.693 ( 0.000 -3.511 0.000) 3.511 4.147 ( 0.000 6.546 0.000) 6.546 4.212 ( 0.000 0.297 0.000) 0.297 4.524 ( 0.000 3.160 0.000) 3.160 4.545 ( 0.000 1.136 0.000) 1.136 5.312 ( 0.000 11.876 0.000) 11.876 5.520 ( 0.000 -7.960 0.000) 7.960 5.528 ( 0.000 5.260 0.000) 5.260 5.584 ( 0.000 0.086 0.000) 0.086 6.942 ( 0.000 4.800 0.000) 4.800 7.036 ( 0.000 -4.165 0.000) 4.165 7.273 ( 0.000 8.511 0.000) 8.511 7.432 ( 0.000 -6.456 0.000) 6.456 7.953 ( 0.000 0.893 0.000) 0.893 7.969 ( 0.000 -0.516 0.000) 0.516 8.256 ( 0.000 -0.084 0.000) 0.084 8.261 ( 0.000 -0.689 0.000) 0.689 8.811 ( 0.000 2.522 0.000) 2.522 8.827 ( 0.000 1.205 0.000) 1.205 8.853 ( 0.000 5.896 0.000) 5.896 8.939 ( 0.000 -1.118 0.000) 1.118 9.212 ( 0.000 -0.182 0.000) 0.182 9.232 ( 0.000 -1.359 0.000) 1.359 9.590 ( 0.000 2.337 0.000) 2.337 9.594 ( 0.000 1.003 0.000) 1.003 9.607 ( 0.000 -0.043 0.000) 0.043 9.625 ( 0.000 -0.036 0.000) 0.036 9.689 ( 0.000 0.349 0.000) 0.349 9.726 ( 0.000 -2.335 0.000) 2.335 ======================= Grid point 55 (32/105) ======================= q-point: ( 0.12 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 1.279 1.565 0.000) 2.021 1.650 ( 1.341 -3.689 0.000) 3.925 1.693 ( 0.127 8.335 0.000) 8.336 1.864 ( -1.021 -4.592 0.000) 4.705 2.045 ( -2.486 8.261 0.000) 8.627 2.058 ( 2.304 0.440 0.000) 2.346 2.127 ( 1.626 -3.244 0.000) 3.628 2.172 ( -2.239 -3.615 0.000) 4.253 2.369 ( -0.818 3.820 0.000) 3.907 2.455 ( -2.216 -4.134 0.000) 4.690 2.508 ( -5.709 0.945 0.000) 5.786 2.528 ( -4.131 -0.842 0.000) 4.216 2.801 ( -6.416 -0.298 0.000) 6.423 2.808 ( -5.563 -1.119 0.000) 5.675 2.928 ( -3.577 4.342 0.000) 5.626 2.975 ( -4.362 0.022 0.000) 4.362 3.531 ( 4.673 6.980 0.000) 8.400 3.690 ( 3.354 -0.563 0.000) 3.401 3.695 ( 4.245 -8.519 0.000) 9.518 3.707 ( 1.495 -2.121 0.000) 2.595 4.197 ( 4.753 7.764 0.000) 9.103 4.284 ( 6.104 -0.812 0.000) 6.158 4.544 ( 1.750 3.397 0.000) 3.821 4.567 ( 1.990 1.135 0.000) 2.291 5.291 ( -1.989 11.902 0.000) 12.067 5.487 ( -3.703 6.188 0.000) 7.211 5.501 ( -1.803 -8.127 0.000) 8.324 5.565 ( -1.865 -1.066 0.000) 2.149 6.933 ( -0.867 4.559 0.000) 4.641 7.020 ( -1.429 -3.766 0.000) 4.028 7.237 ( -3.394 7.664 0.000) 8.382 7.376 ( -5.133 -5.429 0.000) 7.472 7.968 ( 1.415 0.783 0.000) 1.617 7.982 ( 1.266 -0.485 0.000) 1.356 8.239 ( -1.225 0.635 0.000) 1.380 8.260 ( -0.449 -1.448 0.000) 1.516 8.778 ( -5.522 5.500 0.000) 7.794 8.791 ( -1.788 2.584 0.000) 3.142 8.812 ( -1.517 0.665 0.000) 1.656 8.877 ( -5.348 -3.081 0.000) 6.172 9.257 ( 4.781 3.155 0.000) 5.728 9.320 ( 5.916 -2.413 0.000) 6.389 9.555 ( -2.686 3.247 0.000) 4.214 9.575 ( -1.477 1.675 0.000) 2.234 9.604 ( -0.442 -0.960 0.000) 1.057 9.612 ( -1.156 -1.414 0.000) 1.826 9.694 ( 0.169 0.710 0.000) 0.730 9.730 ( 0.155 -2.136 0.000) 2.142 ======================= Grid point 56 (33/105) ======================= q-point: ( 0.25 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 1.536 1.722 0.000) 2.307 1.682 ( 1.594 -3.924 0.000) 4.236 1.694 ( -0.033 6.738 0.000) 6.738 1.832 ( -1.973 -4.581 0.000) 4.987 2.008 ( -0.441 6.208 0.000) 6.223 2.116 ( -2.447 -3.899 0.000) 4.603 2.119 ( 3.201 2.327 0.000) 3.958 2.162 ( 1.302 -1.524 0.000) 2.004 2.338 ( -2.327 3.047 0.000) 3.834 2.363 ( -7.471 1.460 0.000) 7.612 2.387 ( -4.047 -1.525 0.000) 4.325 2.434 ( -4.269 -4.831 0.000) 6.447 2.661 ( -5.951 0.637 0.000) 5.985 2.701 ( -3.992 -3.246 0.000) 5.145 2.816 ( -6.787 3.315 0.000) 7.554 2.854 ( -6.924 -0.042 0.000) 6.924 3.635 ( 4.774 6.581 0.000) 8.131 3.733 ( 1.554 0.937 0.000) 1.815 3.778 ( 3.966 -3.191 0.000) 5.090 3.788 ( 4.144 -7.988 0.000) 8.999 4.326 ( 7.032 8.493 0.000) 11.026 4.429 ( 7.143 -1.613 0.000) 7.323 4.584 ( 1.768 4.069 0.000) 4.437 4.616 ( 2.364 1.026 0.000) 2.577 5.237 ( -2.862 11.880 0.000) 12.220 5.385 ( -5.759 7.958 0.000) 9.824 5.452 ( -2.721 -8.491 0.000) 8.917 5.508 ( -3.494 -3.486 0.000) 4.935 6.912 ( -0.987 4.152 0.000) 4.267 6.986 ( -1.489 -2.922 0.000) 3.280 7.141 ( -5.526 5.863 0.000) 8.057 7.240 ( -7.329 -3.376 0.000) 8.069 8.010 ( 2.514 0.521 0.000) 2.567 8.021 ( 2.422 -0.488 0.000) 2.471 8.211 ( -1.420 1.020 0.000) 1.749 8.241 ( -1.353 -1.919 0.000) 2.349 8.668 ( -4.557 4.373 0.000) 6.316 8.742 ( -2.841 2.014 0.000) 3.483 8.758 ( -5.405 -3.709 0.000) 6.555 8.763 ( -3.068 0.071 0.000) 3.069 9.366 ( 4.892 4.784 0.000) 6.843 9.442 ( 5.553 -2.022 0.000) 5.910 9.500 ( -2.340 4.760 0.000) 5.304 9.545 ( -1.088 1.977 0.000) 2.256 9.585 ( -1.246 -2.917 0.000) 3.172 9.592 ( -0.468 -2.238 0.000) 2.287 9.689 ( -0.738 0.933 0.000) 1.189 9.723 ( -0.889 -1.928 0.000) 2.123 ======================= Grid point 57 (34/105) ======================= q-point: ( 0.38 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 1.341 1.927 0.000) 2.348 1.689 ( -0.518 4.580 0.000) 4.609 1.712 ( 1.317 -3.933 0.000) 4.148 1.787 ( -2.233 -3.914 0.000) 4.507 2.033 ( 2.497 2.895 0.000) 3.823 2.095 ( 0.584 -2.767 0.000) 2.828 2.148 ( -1.587 1.485 0.000) 2.173 2.188 ( 1.356 -0.689 0.000) 1.521 2.226 ( -4.828 3.854 0.000) 6.178 2.273 ( -3.261 3.089 0.000) 4.491 2.320 ( -1.773 -1.406 0.000) 2.262 2.366 ( -2.379 -6.945 0.000) 7.341 2.580 ( -1.734 1.809 0.000) 2.506 2.644 ( -1.773 -4.055 0.000) 4.426 2.678 ( -5.693 2.162 0.000) 6.090 2.707 ( -6.476 -0.649 0.000) 6.508 3.716 ( 2.860 5.895 0.000) 6.553 3.757 ( 0.597 3.228 0.000) 3.283 3.846 ( 2.356 -5.132 0.000) 5.647 3.854 ( 2.086 -7.352 0.000) 7.642 4.466 ( 6.023 7.940 0.000) 9.966 4.561 ( 5.221 -1.295 0.000) 5.379 4.603 ( -0.298 5.225 0.000) 5.233 4.652 ( 0.761 0.498 0.000) 0.909 5.188 ( -1.459 11.570 0.000) 11.661 5.267 ( -5.115 9.619 0.000) 10.895 5.401 ( -1.800 -8.599 0.000) 8.786 5.434 ( -3.230 -6.026 0.000) 6.838 6.901 ( 0.278 4.167 0.000) 4.176 6.971 ( 0.308 -2.409 0.000) 2.429 7.023 ( -5.402 4.739 0.000) 7.186 7.098 ( -5.840 -2.291 0.000) 6.273 8.068 ( 2.964 0.392 0.000) 2.989 8.080 ( 3.147 -0.776 0.000) 3.241 8.177 ( -1.914 0.761 0.000) 2.060 8.203 ( -2.327 -1.708 0.000) 2.887 8.604 ( -1.370 3.128 0.000) 3.414 8.673 ( -2.448 -3.156 0.000) 3.995 8.674 ( -3.538 1.647 0.000) 3.903 8.699 ( -2.752 -0.736 0.000) 2.848 9.436 ( 1.602 6.116 0.000) 6.323 9.464 ( -1.091 5.779 0.000) 5.881 9.537 ( 0.783 -1.759 0.000) 1.925 9.546 ( 3.814 1.033 0.000) 3.952 9.563 ( -0.885 -3.128 0.000) 3.251 9.598 ( 1.329 -2.747 0.000) 3.051 9.664 ( -1.679 0.600 0.000) 1.783 9.693 ( -2.003 -1.665 0.000) 2.605 ======================= Grid point 58 (35/105) ======================= q-point: (-0.50 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -1.105 2.705 0.000) 2.922 1.672 ( 1.105 2.705 0.000) 2.922 1.744 ( -1.838 -3.734 0.000) 4.162 1.744 ( 1.838 -3.734 0.000) 4.162 2.093 ( -3.039 1.151 0.000) 3.250 2.093 ( 3.039 1.151 0.000) 3.250 2.132 ( -2.825 -2.002 0.000) 3.463 2.132 ( 2.825 -2.002 0.000) 3.463 2.228 ( -1.276 4.410 0.000) 4.591 2.228 ( 1.276 4.410 0.000) 4.591 2.321 ( -1.693 -3.639 0.000) 4.013 2.321 ( 1.693 -3.639 0.000) 4.013 2.590 ( -2.671 1.342 0.000) 2.990 2.590 ( 2.671 1.342 0.000) 2.990 2.629 ( -0.780 -2.468 0.000) 2.588 2.629 ( 0.780 -2.468 0.000) 2.588 3.754 ( -0.940 4.838 0.000) 4.929 3.754 ( 0.940 4.838 0.000) 4.929 3.873 ( -0.234 -6.492 0.000) 6.496 3.873 ( 0.234 -6.492 0.000) 6.496 4.565 ( -3.353 6.682 0.000) 7.476 4.565 ( 3.353 6.682 0.000) 7.476 4.638 ( -2.166 -0.406 0.000) 2.204 4.638 ( 2.166 -0.406 0.000) 2.204 5.191 ( -1.939 10.815 0.000) 10.988 5.191 ( 1.939 10.815 0.000) 10.988 5.389 ( -0.821 -7.855 0.000) 7.898 5.389 ( 0.821 -7.855 0.000) 7.898 6.933 ( -2.954 4.457 0.000) 5.347 6.933 ( 2.954 4.457 0.000) 5.347 7.005 ( -3.034 -2.282 0.000) 3.796 7.005 ( 3.034 -2.282 0.000) 3.796 8.129 ( -2.750 0.446 0.000) 2.786 8.129 ( 2.750 0.446 0.000) 2.786 8.146 ( -3.082 -1.237 0.000) 3.321 8.146 ( 3.082 -1.237 0.000) 3.321 8.612 ( -1.993 2.231 0.000) 2.991 8.612 ( 1.993 2.231 0.000) 2.991 8.658 ( -0.897 -2.081 0.000) 2.266 8.658 ( 0.897 -2.081 0.000) 2.266 9.451 ( -0.367 6.179 0.000) 6.190 9.451 ( 0.367 6.179 0.000) 6.190 9.548 ( -0.553 -2.050 0.000) 2.123 9.548 ( 0.553 -2.050 0.000) 2.123 9.618 ( -2.784 -0.163 0.000) 2.789 9.618 ( 2.784 -0.163 0.000) 2.789 9.643 ( -2.611 -1.687 0.000) 3.108 9.643 ( 2.611 -1.687 0.000) 3.108 ======================= Grid point 117 (36/105) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.407 ( 0.000 0.000 20.268) 20.268 0.411 ( 0.000 0.000 22.659) 22.659 0.757 ( 0.000 0.000 39.646) 39.646 0.835 ( 0.000 0.000 -4.882) 4.882 1.115 ( 0.000 0.000 0.359) 0.359 1.139 ( 0.000 0.000 -0.675) 0.675 1.149 ( 0.000 0.000 -16.042) 16.042 1.625 ( 0.000 0.000 5.507) 5.507 1.835 ( 0.000 0.000 18.420) 18.420 1.836 ( 0.000 0.000 -15.862) 15.862 1.910 ( 0.000 0.000 -6.751) 6.751 1.933 ( 0.000 0.000 4.652) 4.652 2.117 ( 0.000 0.000 -3.505) 3.505 2.171 ( 0.000 0.000 6.205) 6.205 2.334 ( 0.000 0.000 -4.945) 4.945 2.599 ( 0.000 0.000 -13.727) 13.727 3.165 ( 0.000 0.000 -0.236) 0.236 3.201 ( 0.000 0.000 -4.507) 4.507 3.996 ( 0.000 0.000 -0.925) 0.925 4.003 ( 0.000 0.000 0.083) 0.083 4.115 ( 0.000 0.000 8.265) 8.265 4.442 ( 0.000 0.000 -7.428) 7.428 4.669 ( 0.000 0.000 3.621) 3.621 4.682 ( 0.000 0.000 2.280) 2.280 5.266 ( 0.000 0.000 0.165) 0.165 5.310 ( 0.000 0.000 -2.132) 2.132 5.671 ( 0.000 0.000 6.321) 6.321 5.909 ( 0.000 0.000 -4.604) 4.604 6.063 ( 0.000 0.000 5.630) 5.630 6.317 ( 0.000 0.000 9.318) 9.318 6.318 ( 0.000 0.000 -5.685) 5.685 6.816 ( 0.000 0.000 -14.306) 14.306 7.533 ( 0.000 0.000 6.564) 6.564 7.679 ( 0.000 0.000 -1.496) 1.496 7.859 ( 0.000 0.000 2.809) 2.809 8.001 ( 0.000 0.000 -3.612) 3.612 8.006 ( 0.000 0.000 0.664) 0.664 8.033 ( 0.000 0.000 -0.532) 0.532 8.571 ( 0.000 0.000 2.584) 2.584 8.653 ( 0.000 0.000 -1.107) 1.107 9.369 ( 0.000 0.000 1.850) 1.850 9.428 ( 0.000 0.000 3.260) 3.260 9.489 ( 0.000 0.000 -3.419) 3.419 9.579 ( 0.000 0.000 -3.424) 3.424 9.751 ( 0.000 0.000 0.788) 0.788 9.789 ( 0.000 0.000 -0.715) 0.715 10.200 ( 0.000 0.000 2.070) 2.070 10.266 ( 0.000 0.000 -1.016) 1.016 ======================= Grid point 118 (37/105) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( 14.733 0.000 12.321) 19.206 0.726 ( 16.797 0.000 18.758) 25.179 0.909 ( 6.311 0.000 -3.916) 7.427 1.112 ( 31.186 0.000 17.767) 35.892 1.135 ( 1.830 0.000 0.666) 1.948 1.170 ( 2.900 0.000 -0.910) 3.040 1.273 ( 11.324 0.000 -9.783) 14.965 1.660 ( 3.204 0.000 5.338) 6.226 1.879 ( 4.306 0.000 14.837) 15.449 1.892 ( 4.641 0.000 -12.192) 13.046 1.921 ( 0.988 0.000 -2.133) 2.350 1.960 ( 2.512 0.000 0.297) 2.529 2.113 ( -4.765 0.000 5.081) 6.965 2.130 ( 1.152 0.000 -3.506) 3.690 2.315 ( -1.437 0.000 -3.309) 3.607 2.603 ( -0.585 0.000 -11.648) 11.662 3.029 ( -9.856 0.000 -0.221) 9.859 3.181 ( -2.065 0.000 -10.488) 10.689 3.940 ( -1.406 0.000 8.187) 8.307 4.098 ( 4.376 0.000 -2.829) 5.211 4.177 ( 4.509 0.000 5.314) 6.970 4.481 ( 3.565 0.000 -7.295) 8.120 4.664 ( -1.711 0.000 3.013) 3.465 4.684 ( 1.521 0.000 2.557) 2.975 5.275 ( 0.924 0.000 -0.131) 0.933 5.284 ( -1.628 0.000 -0.177) 1.638 5.586 ( -3.926 0.000 9.154) 9.960 5.727 ( -6.857 0.000 1.744) 7.075 6.071 ( 0.740 0.000 5.754) 5.801 6.293 ( -1.355 0.000 5.505) 5.669 6.346 ( 1.726 0.000 -2.149) 2.756 6.794 ( -2.116 0.000 -13.690) 13.852 7.518 ( -1.335 0.000 5.883) 6.033 7.652 ( -2.357 0.000 -1.450) 2.767 8.032 ( 2.234 0.000 0.601) 2.313 8.039 ( 3.348 0.000 -1.869) 3.834 8.053 ( 1.730 0.000 -0.284) 1.753 8.060 ( 8.122 0.000 -5.949) 10.068 8.551 ( -1.192 0.000 3.253) 3.465 8.637 ( -1.785 0.000 -0.908) 2.003 9.391 ( -0.426 0.000 0.406) 0.588 9.478 ( 2.912 0.000 -4.310) 5.201 9.535 ( 1.684 0.000 -3.225) 3.638 9.567 ( -1.171 0.000 -0.770) 1.402 9.778 ( 1.224 0.000 1.052) 1.614 9.817 ( 2.940 0.000 -0.686) 3.019 10.179 ( -1.551 0.000 1.879) 2.437 10.256 ( -0.734 0.000 -1.409) 1.588 ======================= Grid point 119 (38/105) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 13.916 0.000 5.287) 14.886 1.056 ( 6.914 0.000 -2.092) 7.224 1.060 ( 15.572 0.000 16.122) 22.414 1.186 ( 2.923 0.000 1.292) 3.196 1.246 ( 3.974 0.000 -1.329) 4.190 1.510 ( 12.910 0.000 -6.736) 14.561 1.746 ( 4.699 0.000 5.052) 6.900 1.811 ( 26.859 0.000 4.426) 27.222 1.943 ( 0.866 0.000 1.650) 1.863 1.949 ( -3.361 0.000 1.053) 3.522 1.970 ( 4.955 0.000 5.408) 7.335 2.029 ( 3.846 0.000 -2.780) 4.746 2.066 ( 4.339 0.000 -0.408) 4.358 2.158 ( 1.336 0.000 -3.517) 3.763 2.298 ( 0.751 0.000 1.061) 1.300 2.539 ( -5.763 0.000 -4.280) 7.178 2.826 ( -7.836 0.000 1.009) 7.901 3.197 ( 4.924 0.000 -20.445) 21.029 3.919 ( -1.462 0.000 11.390) 11.483 4.131 ( -1.786 0.000 -2.984) 3.478 4.270 ( 4.151 0.000 4.216) 5.916 4.579 ( 5.245 0.000 -6.884) 8.655 4.619 ( -2.103 0.000 5.255) 5.660 4.732 ( 2.825 0.000 0.038) 2.825 5.267 ( 0.497 0.000 1.938) 2.001 5.312 ( 2.058 0.000 -0.531) 2.125 5.546 ( -1.058 0.000 2.575) 2.784 5.608 ( -5.019 0.000 -0.138) 5.020 6.094 ( 1.412 0.000 6.091) 6.252 6.260 ( -1.876 0.000 6.947) 7.195 6.393 ( 2.819 0.000 -4.421) 5.243 6.732 ( -3.718 0.000 -12.044) 12.605 7.488 ( -1.306 0.000 4.256) 4.452 7.593 ( -3.110 0.000 -1.264) 3.357 8.085 ( 2.574 0.000 0.526) 2.627 8.096 ( 2.170 0.000 0.118) 2.173 8.126 ( 4.818 0.000 0.027) 4.818 8.180 ( 4.558 0.000 -2.853) 5.377 8.523 ( -1.806 0.000 2.140) 2.800 8.577 ( -3.892 0.000 -0.358) 3.908 9.387 ( -0.283 0.000 1.419) 1.447 9.474 ( -3.122 0.000 0.941) 3.261 9.513 ( -0.948 0.000 -2.605) 2.772 9.584 ( 0.928 0.000 -5.889) 5.962 9.801 ( 1.211 0.000 3.838) 4.024 9.893 ( 4.347 0.000 -1.291) 4.535 10.136 ( -2.555 0.000 2.576) 3.628 10.242 ( -0.798 0.000 -2.138) 2.282 ======================= Grid point 120 (39/105) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 7.529 0.000 0.923) 7.585 1.171 ( 3.922 0.000 -0.738) 3.991 1.251 ( 3.305 0.000 1.828) 3.777 1.315 ( 2.085 0.000 -1.133) 2.373 1.361 ( 13.171 0.000 12.695) 18.293 1.760 ( 5.698 0.000 -3.417) 6.644 1.810 ( -1.592 0.000 6.405) 6.599 1.842 ( 4.297 0.000 4.790) 6.435 1.948 ( -0.547 0.000 3.333) 3.377 2.012 ( 2.286 0.000 -0.540) 2.349 2.107 ( 3.417 0.000 -3.521) 4.907 2.132 ( 1.498 0.000 -0.563) 1.600 2.172 ( 3.435 0.000 -6.253) 7.134 2.176 ( 0.232 0.000 -3.554) 3.562 2.346 ( -2.154 0.000 1.755) 2.778 2.399 ( -6.347 0.000 -0.754) 6.392 2.885 ( 17.134 0.000 6.066) 18.176 3.350 ( 6.687 0.000 -17.551) 18.782 3.852 ( -4.384 0.000 4.922) 6.591 4.031 ( -7.283 0.000 -5.275) 8.993 4.359 ( 4.826 0.000 8.240) 9.549 4.556 ( -3.434 0.000 8.244) 8.930 4.699 ( 5.067 0.000 -6.007) 7.859 4.781 ( 1.418 0.000 -2.582) 2.946 5.295 ( 1.874 0.000 2.462) 3.094 5.346 ( 0.764 0.000 0.424) 0.874 5.520 ( -1.713 0.000 -0.768) 1.877 5.528 ( -2.081 0.000 -0.757) 2.215 6.129 ( 1.917 0.000 6.541) 6.816 6.217 ( -2.172 0.000 7.203) 7.524 6.463 ( 3.847 0.000 -6.073) 7.189 6.645 ( -4.512 0.000 -9.899) 10.879 7.472 ( -0.095 0.000 2.301) 2.303 7.531 ( -2.708 0.000 -0.676) 2.791 8.130 ( 1.619 0.000 0.490) 1.691 8.134 ( 1.373 0.000 0.360) 1.419 8.235 ( 5.631 0.000 0.415) 5.646 8.272 ( 4.599 0.000 -1.341) 4.790 8.465 ( -3.985 0.000 0.871) 4.079 8.482 ( -4.955 0.000 0.084) 4.956 9.372 ( -0.817 0.000 2.611) 2.735 9.407 ( -2.698 0.000 2.701) 3.818 9.509 ( 0.691 0.000 -3.158) 3.233 9.578 ( -1.451 0.000 -5.950) 6.124 9.846 ( 3.327 0.000 3.907) 5.132 9.969 ( 1.327 0.000 -3.109) 3.380 10.095 ( -0.080 0.000 3.929) 3.930 10.211 ( -2.284 0.000 -2.011) 3.043 ======================= Grid point 121 (40/105) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -0.149 0.000 -0.247) 0.289 1.212 ( 0.149 0.000 -0.247) 0.289 1.316 ( -2.059 0.000 0.310) 2.083 1.316 ( 2.059 0.000 0.310) 2.083 1.603 ( -10.192 0.000 9.858) 14.180 1.603 ( 10.192 0.000 9.858) 14.180 1.915 ( -2.616 0.000 4.291) 5.025 1.915 ( 2.616 0.000 4.291) 5.025 1.987 ( -6.247 0.000 -4.676) 7.803 1.987 ( 6.247 0.000 -4.676) 7.803 2.161 ( -1.694 0.000 -3.600) 3.979 2.161 ( 1.694 0.000 -3.600) 3.979 2.165 ( -3.504 0.000 -1.683) 3.888 2.165 ( 3.504 0.000 -1.683) 3.888 2.301 ( -2.370 0.000 0.810) 2.504 2.301 ( 2.370 0.000 0.810) 2.504 3.280 ( -14.864 0.000 -0.503) 14.872 3.280 ( 14.864 0.000 -0.503) 14.872 3.866 ( -6.822 0.000 -6.943) 9.734 3.866 ( 6.822 0.000 -6.943) 9.734 4.466 ( -5.071 0.000 10.175) 11.369 4.466 ( 5.071 0.000 10.175) 11.369 4.776 ( -2.068 0.000 -4.710) 5.144 4.776 ( 2.068 0.000 -4.710) 5.144 5.334 ( -1.615 0.000 2.038) 2.601 5.334 ( 1.615 0.000 2.038) 2.601 5.504 ( -0.449 0.000 -1.584) 1.647 5.504 ( 0.449 0.000 -1.584) 1.647 6.172 ( -2.178 0.000 6.966) 7.299 6.172 ( 2.178 0.000 6.966) 7.299 6.550 ( -4.493 0.000 -7.825) 9.023 6.550 ( 4.493 0.000 -7.825) 9.023 7.486 ( -1.495 0.000 0.535) 1.588 7.486 ( 1.495 0.000 0.535) 1.588 8.148 ( -0.097 0.000 0.456) 0.466 8.148 ( 0.097 0.000 0.456) 0.466 8.347 ( -3.188 0.000 -0.317) 3.204 8.347 ( 3.188 0.000 -0.317) 3.204 8.386 ( -2.594 0.000 0.359) 2.618 8.386 ( 2.594 0.000 0.359) 2.618 9.370 ( -0.820 0.000 3.060) 3.168 9.370 ( 0.820 0.000 3.060) 3.168 9.538 ( -1.967 0.000 -4.324) 4.751 9.538 ( 1.967 0.000 -4.324) 4.751 9.927 ( -3.879 0.000 1.402) 4.125 9.927 ( 3.879 0.000 1.402) 4.125 10.147 ( -3.624 0.000 -0.397) 3.646 10.147 ( 3.624 0.000 -0.397) 3.646 ======================= Grid point 126 (41/105) ======================= q-point: ( 0.00 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 0.000 14.324 15.005) 20.744 0.625 ( 0.000 17.542 12.983) 21.823 1.092 ( 0.000 16.590 -6.468) 17.806 1.098 ( 0.000 23.998 10.559) 26.218 1.256 ( 0.000 14.379 -6.428) 15.750 1.323 ( 0.000 17.143 1.219) 17.186 1.381 ( 0.000 18.982 1.283) 19.025 1.791 ( 0.000 3.757 -9.639) 10.345 1.841 ( 0.000 2.904 9.962) 10.376 2.042 ( 0.000 7.768 6.957) 10.428 2.072 ( 0.000 -1.778 -3.962) 4.342 2.104 ( 0.000 16.557 -5.886) 17.572 2.145 ( 0.000 13.062 -5.070) 14.011 2.189 ( 0.000 3.180 7.754) 8.381 2.342 ( 0.000 0.798 -4.400) 4.471 2.647 ( 0.000 3.117 -10.686) 11.131 3.163 ( 0.000 0.026 -0.233) 0.235 3.220 ( 0.000 2.245 -5.887) 6.301 3.972 ( 0.000 -1.103 -0.023) 1.104 3.995 ( 0.000 -0.799 -0.380) 0.885 4.099 ( 0.000 -1.464 8.991) 9.109 4.431 ( 0.000 -1.347 -7.526) 7.645 4.625 ( 0.000 -3.964 3.095) 5.029 4.635 ( 0.000 -4.396 1.987) 4.824 5.206 ( 0.000 -7.620 1.004) 7.686 5.274 ( 0.000 0.973 -2.075) 2.292 5.364 ( 0.000 -10.800 3.210) 11.267 5.404 ( 0.000 -18.483 0.988) 18.510 6.352 ( 0.000 7.015 5.410) 8.859 6.565 ( 0.000 16.135 -3.838) 16.585 7.001 ( 0.000 14.374 -4.058) 14.936 7.400 ( 0.000 34.146 -34.561) 48.584 7.583 ( 0.000 5.244 4.817) 7.120 7.725 ( 0.000 6.435 -4.622) 7.923 7.867 ( 0.000 0.730 2.491) 2.596 7.992 ( 0.000 -0.558 -3.256) 3.304 8.059 ( 0.000 4.878 -0.063) 4.879 8.060 ( 0.000 2.106 0.018) 2.106 8.579 ( 0.000 1.058 2.821) 3.013 8.656 ( 0.000 0.281 -0.985) 1.024 9.367 ( 0.000 -1.667 1.962) 2.575 9.395 ( 0.000 -1.384 2.736) 3.066 9.485 ( 0.000 -1.274 -1.594) 2.040 9.517 ( 0.000 -3.989 -4.316) 5.877 9.700 ( 0.000 -3.032 3.833) 4.887 9.771 ( 0.000 -1.628 -0.870) 1.846 10.162 ( 0.000 -3.544 1.578) 3.879 10.215 ( 0.000 -4.795 -0.845) 4.869 ======================= Grid point 127 (42/105) ======================= q-point: ( 0.12 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 12.754 10.696 12.075) 20.564 0.888 ( 16.221 14.311 7.670) 22.951 1.156 ( 5.749 17.151 -4.953) 18.755 1.266 ( 12.826 9.508 -3.787) 16.409 1.331 ( 5.042 15.710 0.604) 16.510 1.359 ( 5.109 18.628 1.354) 19.363 1.457 ( 10.347 19.163 5.255) 22.402 1.823 ( 3.323 1.648 -4.951) 6.187 1.879 ( 2.450 3.894 3.763) 5.943 1.991 ( -4.886 11.047 4.564) 12.913 2.053 ( -1.459 8.726 0.843) 8.887 2.082 ( 0.945 3.283 0.216) 3.423 2.171 ( 1.308 11.509 0.479) 11.593 2.177 ( 0.369 5.371 0.604) 5.417 2.324 ( -1.283 0.979 -2.976) 3.386 2.631 ( -2.031 1.821 -8.353) 8.787 3.034 ( -9.868 0.624 0.230) 9.890 3.206 ( -1.039 2.810 -11.306) 11.697 3.931 ( -1.484 -0.692 7.440) 7.618 4.079 ( 4.567 -1.443 -2.557) 5.430 4.162 ( 4.643 -1.359 5.723) 7.494 4.465 ( 3.129 -1.818 -7.374) 8.214 4.616 ( -1.624 -4.345 2.707) 5.370 4.639 ( 1.415 -4.039 2.217) 4.820 5.204 ( 0.174 -5.588 1.289) 5.738 5.280 ( 0.723 -0.201 -2.353) 2.470 5.378 ( 1.030 -10.864 2.281) 11.149 5.412 ( 0.250 -17.275 0.586) 17.287 6.343 ( -0.763 7.740 5.203) 9.357 6.556 ( -0.712 15.193 -4.262) 15.796 6.871 ( -22.655 33.114 -3.304) 40.258 6.963 ( -8.866 16.831 -7.155) 20.325 7.575 ( -0.815 5.870 4.330) 7.340 7.694 ( -1.977 4.445 -1.809) 5.190 8.030 ( 3.828 -0.819 -1.729) 4.280 8.039 ( 5.132 -0.004 -2.741) 5.818 8.077 ( 1.739 3.119 0.152) 3.574 8.091 ( 3.009 2.597 -1.975) 4.438 8.560 ( -1.351 1.000 2.876) 3.332 8.638 ( -1.904 0.089 -0.810) 2.071 9.363 ( -0.142 -2.602 1.213) 2.875 9.458 ( 2.685 -1.801 -3.459) 4.735 9.519 ( -0.464 -2.036 -2.203) 3.036 9.536 ( 2.423 -1.853 -1.559) 3.426 9.727 ( 2.121 -4.043 3.111) 5.525 9.788 ( 2.147 -2.250 -0.783) 3.207 10.141 ( -1.666 -3.506 1.714) 4.243 10.207 ( -0.517 -4.525 -1.215) 4.714 ======================= Grid point 128 (43/105) ======================= q-point: ( 0.25 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 14.448 6.360 9.259) 18.301 1.164 ( 10.984 16.334 5.118) 20.339 1.293 ( 6.535 17.799 -2.315) 19.102 1.403 ( 3.153 17.038 0.860) 17.348 1.419 ( 5.198 11.135 -2.935) 12.634 1.547 ( 9.834 7.181 -5.755) 13.468 1.840 ( -0.916 0.646 6.593) 6.688 1.875 ( 17.121 7.168 1.727) 18.641 1.944 ( 4.792 3.882 -2.306) 6.584 1.985 ( 4.749 2.211 1.244) 5.384 2.028 ( 0.079 9.089 1.674) 9.243 2.105 ( 0.966 8.580 3.116) 9.180 2.174 ( 1.123 4.036 -1.160) 4.347 2.237 ( 3.101 8.917 -0.579) 9.458 2.313 ( 1.041 1.612 2.091) 2.838 2.545 ( -6.220 0.390 -3.039) 6.934 2.839 ( -6.565 1.749 2.190) 7.139 3.239 ( 5.166 4.185 -19.292) 20.405 3.906 ( -1.643 -1.039 10.483) 10.662 4.115 ( -1.682 -1.455 -2.814) 3.587 4.259 ( 4.275 -0.981 4.236) 6.097 4.547 ( 3.000 -3.590 -4.895) 6.771 4.583 ( 0.007 -3.062 2.966) 4.263 4.685 ( 2.765 -4.338 0.067) 5.145 5.224 ( 1.791 -2.935 1.402) 3.713 5.304 ( 1.445 -2.529 -2.355) 3.746 5.392 ( 0.119 -11.107 0.874) 11.142 5.402 ( -1.209 -13.448 0.296) 13.505 6.324 ( -0.993 9.717 4.907) 10.930 6.502 ( -9.036 24.281 4.322) 26.266 6.558 ( -1.348 13.486 -2.605) 13.801 6.834 ( -5.862 8.191 -8.169) 12.969 7.556 ( -0.802 6.944 3.107) 7.650 7.646 ( -2.534 5.358 -1.336) 6.076 8.107 ( 2.405 1.257 0.213) 2.722 8.114 ( 3.695 1.071 -0.086) 3.848 8.124 ( 3.269 1.510 0.224) 3.608 8.170 ( 4.100 -0.791 -2.343) 4.788 8.525 ( -2.232 0.285 1.929) 2.964 8.576 ( -3.953 -0.129 -0.383) 3.973 9.366 ( 0.101 -1.836 1.569) 2.417 9.466 ( -2.663 -0.606 0.831) 2.854 9.484 ( -0.896 -2.697 -2.615) 3.862 9.566 ( 0.500 -1.575 -5.093) 5.355 9.763 ( 1.627 -3.408 3.930) 5.450 9.860 ( 4.313 -2.954 -1.590) 5.464 10.098 ( -2.417 -3.491 2.615) 4.987 10.197 ( -0.627 -4.163 -1.922) 4.628 ======================= Grid point 129 (44/105) ======================= q-point: ( 0.38 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 9.442 5.396 7.003) 12.935 1.349 ( 6.653 16.420 1.712) 17.800 1.407 ( 4.415 16.482 -0.264) 17.066 1.460 ( 2.045 16.539 1.242) 16.712 1.520 ( 4.594 13.569 -0.033) 14.325 1.748 ( 4.910 1.184 -4.226) 6.586 1.765 ( -0.525 -1.027 4.788) 4.925 1.973 ( -0.009 0.109 -1.909) 1.912 2.020 ( 2.236 11.991 3.446) 12.675 2.066 ( 3.901 -0.411 -0.273) 3.932 2.098 ( -0.246 8.917 4.052) 9.797 2.169 ( 3.706 0.333 -5.717) 6.821 2.213 ( 1.754 4.947 -2.248) 5.710 2.262 ( -0.344 5.646 -1.263) 5.796 2.345 ( -2.501 -0.118 1.894) 3.140 2.401 ( -6.698 0.292 -0.436) 6.719 2.931 ( 16.719 4.941 6.557) 18.626 3.386 ( 6.069 3.591 -16.237) 17.702 3.838 ( -4.150 -1.073 4.734) 6.386 4.020 ( -6.902 -1.006 -5.101) 8.641 4.345 ( 4.449 -1.232 7.512) 8.817 4.519 ( -2.843 -3.478 7.249) 8.528 4.667 ( 4.526 -3.189 -5.278) 7.649 4.735 ( 1.554 -4.392 -2.262) 5.179 5.271 ( 2.432 -1.651 1.117) 3.145 5.333 ( 1.173 -3.838 -1.706) 4.361 5.368 ( -1.813 -10.186 0.326) 10.352 5.383 ( -0.824 -11.414 -0.154) 11.445 6.309 ( -0.181 11.581 5.412) 12.785 6.371 ( -3.778 15.940 7.577) 18.049 6.572 ( 1.812 8.797 -5.487) 10.525 6.720 ( -5.029 6.141 -7.752) 11.095 7.547 ( 0.030 7.582 1.637) 7.757 7.596 ( -2.174 6.507 -0.695) 6.896 8.148 ( 1.529 1.558 0.328) 2.207 8.156 ( 1.233 2.689 -0.015) 2.958 8.229 ( 5.694 -0.576 0.397) 5.737 8.261 ( 4.686 -1.127 -1.088) 4.941 8.459 ( -4.241 -0.530 0.895) 4.367 8.480 ( -5.112 -0.231 -0.065) 5.118 9.360 ( -0.480 -1.098 2.284) 2.580 9.402 ( -2.751 -0.514 2.281) 3.610 9.481 ( 0.638 -2.620 -2.700) 3.816 9.553 ( -1.717 -2.348 -5.152) 5.917 9.814 ( 3.407 -2.980 3.615) 5.793 9.933 ( 1.246 -3.241 -3.168) 4.700 10.061 ( 0.032 -3.164 3.822) 4.962 10.171 ( -2.094 -3.829 -1.842) 4.737 ======================= Grid point 130 (45/105) ======================= q-point: (-0.50 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -0.773 14.322 1.497) 14.420 1.415 ( 0.774 14.322 1.497) 14.420 1.474 ( -1.231 14.307 1.069) 14.400 1.474 ( 1.231 14.307 1.069) 14.400 1.633 ( -6.438 5.671 5.196) 10.030 1.633 ( 6.438 5.671 5.196) 10.030 1.919 ( -5.494 -2.381 -5.480) 8.117 1.919 ( 5.494 -2.381 -5.480) 8.117 2.068 ( -2.054 10.102 4.057) 11.078 2.068 ( 2.054 10.102 4.057) 11.078 2.161 ( -4.412 0.524 -1.592) 4.720 2.161 ( 4.412 0.524 -1.592) 4.720 2.251 ( -1.829 5.577 -1.721) 6.117 2.251 ( 1.829 5.577 -1.721) 6.117 2.297 ( -2.344 -0.268 0.773) 2.483 2.297 ( 2.344 -0.268 0.773) 2.483 3.307 ( -14.526 2.904 0.190) 14.815 3.307 ( 14.526 2.904 0.190) 14.815 3.861 ( -6.879 -0.384 -6.819) 9.694 3.861 ( 6.879 -0.384 -6.819) 9.694 4.442 ( -4.488 -2.285 9.222) 10.508 4.442 ( 4.488 -2.285 9.222) 10.508 4.734 ( -1.729 -4.006 -4.178) 6.041 4.734 ( 1.729 -4.006 -4.178) 6.041 5.319 ( -2.139 -1.563 0.637) 2.724 5.319 ( 2.139 -1.563 0.637) 2.724 5.363 ( -1.010 -11.488 -0.910) 11.568 5.363 ( 1.010 -11.488 -0.910) 11.568 6.321 ( -1.370 12.510 6.662) 14.240 6.321 ( 1.370 12.510 6.662) 14.240 6.629 ( -3.629 6.536 -6.621) 9.986 6.629 ( 3.629 6.536 -6.621) 9.986 7.560 ( -1.200 7.388 0.300) 7.491 7.560 ( 1.200 7.388 0.300) 7.491 8.167 ( -0.218 2.023 0.166) 2.042 8.167 ( 0.218 2.023 0.166) 2.042 8.343 ( -3.077 -0.449 -0.251) 3.119 8.343 ( 3.077 -0.449 -0.251) 3.119 8.376 ( -2.799 -0.882 0.344) 2.955 8.376 ( 2.799 -0.882 0.344) 2.955 9.362 ( -0.970 -0.704 2.553) 2.820 9.362 ( 0.970 -0.704 2.553) 2.820 9.510 ( -2.016 -2.640 -3.625) 4.916 9.510 ( 2.016 -2.640 -3.625) 4.916 9.893 ( -3.753 -3.058 1.127) 4.970 9.893 ( 3.753 -3.058 1.127) 4.970 10.111 ( -3.413 -3.428 -0.268) 4.845 10.111 ( 3.413 -3.428 -0.268) 4.845 ======================= Grid point 135 (46/105) ======================= q-point: ( 0.00 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 0.000 17.568 4.265) 18.078 1.018 ( 0.000 19.470 6.666) 20.579 1.307 ( 0.000 5.322 -11.469) 12.644 1.412 ( 0.000 12.844 -12.823) 18.149 1.651 ( 0.000 10.757 3.142) 11.206 1.720 ( 0.000 17.920 -0.618) 17.931 1.828 ( 0.000 20.792 8.054) 22.297 1.974 ( 0.000 13.064 4.347) 13.768 2.036 ( 0.000 16.711 -0.989) 16.740 2.090 ( 0.000 6.983 -2.230) 7.330 2.129 ( 0.000 2.923 7.594) 8.137 2.332 ( 0.000 10.848 6.640) 12.718 2.343 ( 0.000 2.706 -3.115) 4.126 2.389 ( 0.000 11.997 0.301) 12.001 2.399 ( 0.000 6.928 -2.546) 7.381 2.675 ( 0.000 -0.437 -4.772) 4.792 3.180 ( 0.000 2.210 0.119) 2.213 3.300 ( 0.000 5.181 -7.736) 9.310 3.954 ( 0.000 -0.915 0.360) 0.983 3.968 ( 0.000 -1.894 0.026) 1.894 4.063 ( 0.000 -1.973 8.855) 9.072 4.359 ( 0.000 -6.132 -5.831) 8.462 4.514 ( 0.000 -7.035 0.788) 7.079 4.529 ( 0.000 -5.150 0.498) 5.174 5.044 ( 0.000 -11.062 2.223) 11.283 5.113 ( 0.000 -4.357 5.832) 7.280 5.189 ( 0.000 -4.678 -3.883) 6.079 5.348 ( 0.000 4.241 -5.109) 6.640 6.520 ( 0.000 8.671 6.545) 10.864 6.834 ( 0.000 9.396 -8.693) 12.801 7.227 ( 0.000 5.409 9.226) 10.695 7.615 ( 0.000 -0.025 -7.563) 7.563 7.778 ( 0.000 13.520 1.751) 13.632 7.889 ( 0.000 1.751 2.103) 2.737 7.932 ( 0.000 3.396 -5.519) 6.480 8.030 ( 0.000 8.048 -6.349) 10.250 8.113 ( 0.000 4.216 0.078) 4.217 8.190 ( 0.000 7.605 -2.160) 7.906 8.624 ( 0.000 3.347 1.744) 3.775 8.664 ( 0.000 0.574 -0.239) 0.621 9.290 ( 0.000 -3.889 2.157) 4.447 9.389 ( 0.000 -5.707 -1.837) 5.995 9.410 ( 0.000 1.687 1.610) 2.332 9.501 ( 0.000 0.305 -3.448) 3.462 9.642 ( 0.000 -2.710 3.653) 4.549 9.726 ( 0.000 -2.738 -1.127) 2.961 10.066 ( 0.000 -5.468 0.490) 5.490 10.085 ( 0.000 -7.363 -0.340) 7.371 ======================= Grid point 136 (47/105) ======================= q-point: ( 0.12 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 7.858 15.200 4.014) 17.575 1.183 ( 13.512 14.385 4.565) 20.257 1.361 ( 4.901 4.495 -10.485) 12.416 1.478 ( 5.878 11.479 -9.862) 16.235 1.682 ( 2.813 11.362 2.903) 12.060 1.753 ( 2.782 14.736 -1.409) 15.063 1.875 ( 3.905 15.495 6.639) 17.304 1.981 ( 1.618 14.114 1.084) 14.248 2.050 ( -2.934 5.038 2.462) 6.329 2.071 ( 1.556 14.900 1.071) 15.019 2.169 ( 3.986 7.965 3.531) 9.582 2.312 ( -1.158 8.293 1.552) 8.516 2.329 ( -1.902 7.629 -1.344) 7.977 2.382 ( -0.300 8.954 3.189) 9.510 2.400 ( 0.417 8.035 -1.252) 8.142 2.645 ( -2.939 -0.336 -3.662) 4.707 3.068 ( -8.542 3.655 1.796) 9.462 3.302 ( 0.728 6.079 -11.116) 12.690 3.916 ( -1.703 -0.815 5.896) 6.190 4.043 ( 4.257 -2.217 -1.683) 5.086 4.128 ( 5.042 -1.785 5.755) 7.857 4.385 ( 2.377 -6.230 -5.670) 8.753 4.498 ( -1.205 -6.836 1.578) 7.119 4.539 ( 0.985 -5.383 0.062) 5.473 5.047 ( 0.228 -12.237 2.007) 12.403 5.130 ( 1.611 -3.881 5.581) 6.986 5.186 ( -0.280 -4.647 -3.808) 6.015 5.357 ( 0.738 3.699 -4.968) 6.238 6.518 ( -0.186 8.734 6.337) 10.793 6.814 ( -1.756 9.106 -7.832) 12.139 7.145 ( -6.978 5.943 5.877) 10.889 7.362 ( -19.597 9.833 -4.484) 22.380 7.776 ( -0.093 13.402 1.361) 13.471 7.844 ( -1.464 8.402 -1.439) 8.650 8.008 ( 4.304 -1.078 -0.695) 4.490 8.065 ( 2.739 3.831 -3.265) 5.731 8.124 ( 1.207 3.150 1.083) 3.542 8.203 ( 1.058 7.092 -2.281) 7.524 8.598 ( -2.158 2.754 1.643) 3.865 8.640 ( -2.324 0.199 -0.202) 2.341 9.300 ( 0.994 -3.011 1.819) 3.656 9.398 ( 1.226 -4.259 -2.764) 5.223 9.476 ( 2.073 -0.756 0.116) 2.209 9.514 ( 1.185 -0.778 -2.340) 2.737 9.646 ( 0.876 -3.581 3.568) 5.130 9.732 ( 1.125 -3.102 -1.272) 3.537 10.047 ( -1.627 -5.416 0.991) 5.741 10.085 ( -0.020 -6.944 -0.744) 6.984 ======================= Grid point 137 (48/105) ======================= q-point: ( 0.25 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 10.358 10.580 4.031) 15.345 1.468 ( 11.365 10.368 -0.301) 15.386 1.501 ( 8.944 3.500 -4.772) 10.725 1.626 ( 7.511 11.839 -4.468) 14.715 1.746 ( 2.408 8.640 2.388) 9.282 1.813 ( 2.442 9.632 -0.961) 9.983 1.940 ( 1.538 14.877 1.362) 15.018 2.005 ( -0.577 5.739 1.755) 6.029 2.049 ( 4.046 6.874 -0.783) 8.015 2.091 ( 1.524 8.458 0.609) 8.616 2.257 ( 1.032 7.564 -0.230) 7.637 2.296 ( -0.542 12.084 -0.090) 12.097 2.306 ( 1.951 8.687 0.757) 8.935 2.375 ( -0.344 4.382 3.294) 5.492 2.404 ( -0.823 6.247 1.445) 6.465 2.551 ( -5.916 0.537 -1.733) 6.188 2.944 ( -0.243 10.201 5.903) 11.788 3.361 ( 5.367 7.192 -15.021) 17.497 3.886 ( -1.789 -0.778 8.166) 8.395 4.072 ( -1.690 -2.904 -2.051) 3.936 4.238 ( 4.706 -0.734 3.630) 5.988 4.435 ( 0.926 -6.423 -1.794) 6.733 4.495 ( 2.318 -5.938 0.212) 6.378 4.571 ( 2.053 -6.360 -0.651) 6.715 5.051 ( 0.169 -13.334 1.890) 13.468 5.150 ( -0.820 -9.777 1.314) 9.898 5.202 ( 2.633 0.632 -0.409) 2.738 5.370 ( 0.308 2.705 -4.485) 5.246 6.515 ( -0.051 8.846 5.829) 10.594 6.772 ( -2.041 8.078 -6.121) 10.339 6.970 ( -15.056 16.002 0.999) 21.995 6.987 ( -8.541 5.579 0.648) 10.222 7.777 ( 0.193 13.977 0.912) 14.008 7.820 ( -0.950 11.009 -1.031) 11.098 8.103 ( 4.865 -1.015 0.259) 4.977 8.134 ( 3.762 1.149 -0.898) 4.035 8.163 ( 2.456 2.388 0.792) 3.516 8.227 ( 1.077 6.235 -2.037) 6.647 8.540 ( -3.488 1.350 1.230) 3.938 8.572 ( -4.122 -0.223 -0.124) 4.130 9.325 ( 1.089 -1.796 1.447) 2.551 9.409 ( -0.452 -4.338 -2.259) 4.911 9.455 ( -2.733 -0.499 0.887) 2.917 9.525 ( -0.628 -2.242 -3.243) 3.992 9.680 ( 2.112 -4.245 3.556) 5.927 9.786 ( 3.702 -3.991 -2.181) 5.864 10.007 ( -2.079 -5.057 2.257) 5.916 10.084 ( -0.270 -6.538 -1.380) 6.688 ======================= Grid point 138 (49/105) ======================= q-point: ( 0.38 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 8.768 7.021 4.338) 12.041 1.635 ( 4.039 6.743 -0.329) 7.867 1.672 ( 5.433 4.507 -1.228) 7.165 1.755 ( 4.024 11.611 -1.619) 12.395 1.788 ( 4.518 7.596 1.384) 8.945 1.861 ( 2.052 12.366 0.367) 12.540 1.944 ( -1.391 13.078 -2.310) 13.353 1.993 ( -1.510 8.169 -1.381) 8.421 2.102 ( 3.394 4.636 0.365) 5.758 2.175 ( 3.197 0.211 -4.171) 5.259 2.258 ( 1.570 7.282 1.726) 7.646 2.292 ( -0.098 10.130 0.562) 10.146 2.318 ( -2.427 4.384 0.625) 5.050 2.345 ( -2.244 2.528 3.931) 5.185 2.368 ( -1.895 3.806 -0.996) 4.367 2.422 ( -5.533 2.531 0.118) 6.086 3.114 ( 14.417 13.276 6.772) 20.736 3.496 ( 5.306 6.975 -12.257) 15.068 3.820 ( -3.838 -0.479 4.604) 6.013 3.988 ( -5.807 -2.293 -3.753) 7.284 4.318 ( 3.355 -0.998 4.981) 6.088 4.425 ( -1.290 -5.061 4.403) 6.831 4.570 ( 3.545 -6.227 -3.016) 7.774 4.613 ( 1.538 -7.156 -1.554) 7.482 5.058 ( 0.620 -13.542 1.555) 13.645 5.117 ( -1.920 -11.773 0.148) 11.930 5.268 ( 3.280 1.164 -0.319) 3.495 5.364 ( -0.978 1.898 -3.486) 4.088 6.523 ( 1.045 8.998 5.164) 10.427 6.698 ( -7.817 10.171 1.128) 12.877 6.760 ( -1.566 10.315 -2.181) 10.658 6.852 ( -5.124 6.211 -2.250) 8.361 7.783 ( 0.342 14.738 0.512) 14.750 7.803 ( -0.694 13.222 -0.390) 13.246 8.194 ( 2.505 1.958 0.214) 3.186 8.215 ( 5.072 -0.430 0.391) 5.105 8.235 ( 2.641 1.369 -0.968) 3.128 8.247 ( 2.799 4.403 -0.737) 5.269 8.451 ( -5.062 0.022 0.881) 5.138 8.474 ( -5.198 -0.101 -0.197) 5.203 9.335 ( -0.043 -1.187 1.145) 1.650 9.380 ( -2.355 -2.388 -0.033) 3.354 9.416 ( 0.043 -2.769 0.012) 2.769 9.492 ( -2.360 -3.189 -2.955) 4.947 9.738 ( 3.527 -4.019 2.703) 5.992 9.849 ( 1.107 -4.579 -3.373) 5.794 9.976 ( 0.047 -4.777 3.421) 5.876 10.065 ( -1.631 -6.112 -1.353) 6.469 ======================= Grid point 139 (50/105) ======================= q-point: (-0.50 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -5.482 5.631 4.346) 8.980 1.589 ( 5.482 5.631 4.346) 8.980 1.781 ( -2.976 5.861 -3.369) 7.386 1.781 ( 2.976 5.861 -3.369) 7.386 1.877 ( -2.486 15.609 1.298) 15.859 1.877 ( 2.486 15.609 1.298) 15.859 1.934 ( -2.869 6.513 -2.555) 7.562 1.934 ( 2.869 6.513 -2.555) 7.562 2.182 ( -2.636 3.515 -1.820) 4.756 2.182 ( 2.636 3.515 -1.820) 4.756 2.270 ( -0.758 3.966 0.231) 4.044 2.270 ( 0.758 3.966 0.231) 4.044 2.320 ( -1.946 6.045 1.648) 6.561 2.320 ( 1.946 6.045 1.648) 6.561 2.344 ( -2.070 3.633 1.240) 4.361 2.344 ( 2.070 3.633 1.240) 4.361 3.420 ( -12.408 8.691 1.667) 15.240 3.420 ( 12.408 8.691 1.667) 15.240 3.851 ( -6.506 -0.884 -5.262) 8.414 3.851 ( 6.506 -0.884 -5.262) 8.414 4.383 ( -2.718 -2.956 6.074) 7.282 4.383 ( 2.718 -2.956 6.074) 7.282 4.620 ( -1.072 -6.942 -2.608) 7.492 4.620 ( 1.072 -6.942 -2.608) 7.492 5.080 ( -1.486 -13.019 0.837) 13.130 5.080 ( 1.486 -13.019 0.837) 13.130 5.329 ( -2.381 1.408 -1.967) 3.394 5.329 ( 2.381 1.408 -1.967) 3.394 6.571 ( -3.955 9.757 4.215) 11.341 6.571 ( 3.955 9.757 4.215) 11.341 6.775 ( -2.268 7.158 -3.231) 8.174 6.775 ( 2.268 7.158 -3.231) 8.174 7.791 ( -0.468 14.589 0.099) 14.596 7.791 ( 0.468 14.589 0.099) 14.596 8.229 ( -1.062 3.406 -0.542) 3.609 8.229 ( 1.062 3.406 -0.542) 3.609 8.333 ( -4.511 -0.076 0.332) 4.524 8.333 ( 4.511 -0.076 0.332) 4.524 8.361 ( -4.541 -0.067 -0.003) 4.541 8.361 ( 4.541 -0.067 -0.003) 4.541 9.341 ( -1.040 -1.504 0.951) 2.061 9.341 ( 1.040 -1.504 0.951) 2.061 9.442 ( -2.103 -3.445 -1.499) 4.306 9.442 ( 2.103 -3.445 -1.499) 4.306 9.815 ( -3.424 -4.237 0.357) 5.459 9.815 ( 3.424 -4.237 0.357) 5.459 10.017 ( -2.807 -5.448 0.063) 6.129 10.017 ( 2.807 -5.448 0.063) 6.129 ======================= Grid point 144 (51/105) ======================= q-point: ( 0.00 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 0.000 13.588 0.542) 13.599 1.390 ( 0.000 15.294 2.317) 15.469 1.408 ( 0.000 6.999 -5.567) 8.943 1.667 ( 0.000 11.215 -10.062) 15.067 1.731 ( 0.000 0.070 7.499) 7.499 1.871 ( 0.000 0.191 -0.713) 0.738 2.113 ( 0.000 9.037 5.861) 10.771 2.175 ( 0.000 6.898 3.939) 7.944 2.259 ( 0.000 6.631 -3.443) 7.472 2.355 ( 0.000 2.226 -2.997) 3.733 2.393 ( 0.000 10.643 2.447) 10.920 2.398 ( 0.000 15.735 2.099) 15.874 2.525 ( 0.000 5.959 0.888) 6.024 2.573 ( 0.000 12.190 1.203) 12.249 2.628 ( 0.000 11.056 -0.797) 11.084 2.689 ( 0.000 3.909 -1.211) 4.092 3.290 ( 0.000 9.314 0.435) 9.324 3.396 ( 0.000 3.195 -4.621) 5.618 3.917 ( 0.000 -3.255 0.581) 3.306 3.927 ( 0.000 -1.450 0.025) 1.450 4.019 ( 0.000 -2.308 5.431) 5.902 4.200 ( 0.000 -8.591 -3.284) 9.197 4.378 ( 0.000 -5.093 0.684) 5.139 4.423 ( 0.000 -4.139 -1.124) 4.289 4.892 ( 0.000 -2.387 5.268) 5.784 5.133 ( 0.000 4.584 7.333) 8.648 5.175 ( 0.000 3.234 -7.082) 7.785 5.451 ( 0.000 5.426 -7.163) 8.986 6.681 ( 0.000 6.689 5.868) 8.898 6.948 ( 0.000 2.309 -7.900) 8.231 7.260 ( 0.000 -0.372 9.880) 9.887 7.578 ( 0.000 -2.603 -5.898) 6.447 7.912 ( 0.000 1.847 0.331) 1.877 7.936 ( 0.000 -0.482 -0.896) 1.017 8.087 ( 0.000 12.984 2.517) 13.226 8.140 ( 0.000 3.605 3.100) 4.755 8.310 ( 0.000 11.823 -5.516) 13.047 8.356 ( 0.000 8.362 -4.737) 9.610 8.689 ( 0.000 2.404 1.570) 2.871 8.702 ( 0.000 3.796 0.931) 3.909 9.238 ( 0.000 -1.044 1.248) 1.627 9.286 ( 0.000 -3.792 -0.878) 3.893 9.455 ( 0.000 2.613 1.054) 2.818 9.512 ( 0.000 0.757 -1.894) 2.040 9.594 ( 0.000 -1.799 2.371) 2.976 9.664 ( 0.000 -3.122 -1.193) 3.342 9.934 ( 0.000 -6.984 0.312) 6.991 9.951 ( 0.000 -5.543 -0.454) 5.562 ======================= Grid point 145 (52/105) ======================= q-point: ( 0.12 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 4.363 12.009 0.696) 12.797 1.452 ( 4.001 5.389 -6.613) 9.423 1.466 ( 6.989 12.887 3.284) 15.023 1.683 ( 2.264 6.957 -5.694) 9.271 1.774 ( 3.110 2.713 3.444) 5.376 1.864 ( -0.335 -0.544 -0.040) 0.640 2.109 ( -0.454 5.952 6.056) 8.504 2.187 ( 1.326 8.922 1.501) 9.144 2.250 ( -0.277 8.857 -2.308) 9.157 2.321 ( -2.984 3.866 -2.535) 5.503 2.398 ( 0.246 7.790 2.191) 8.096 2.418 ( 0.548 9.392 1.613) 9.545 2.520 ( -0.524 7.049 1.046) 7.145 2.570 ( -0.634 10.858 0.792) 10.905 2.597 ( -2.595 10.237 -0.556) 10.575 2.670 ( -1.967 4.355 -1.646) 5.054 3.238 ( -2.565 13.595 2.647) 14.085 3.417 ( 2.187 4.127 -5.716) 7.381 3.891 ( -1.124 -1.725 2.875) 3.537 3.981 ( 2.563 -4.080 -1.687) 5.105 4.094 ( 6.413 -1.421 3.890) 7.634 4.234 ( 3.107 -7.803 -2.685) 8.817 4.371 ( -0.437 -4.240 1.095) 4.401 4.428 ( 0.385 -4.392 -1.264) 4.587 4.884 ( -0.694 -2.857 5.186) 5.961 5.098 ( -2.676 1.621 2.556) 4.040 5.207 ( 2.345 4.887 -2.535) 5.983 5.450 ( -0.130 4.974 -7.023) 8.607 6.678 ( -0.300 6.575 5.551) 8.610 6.927 ( -1.936 2.467 -7.226) 7.877 7.198 ( -5.560 0.595 8.138) 9.874 7.443 ( -11.655 0.572 -4.217) 12.408 7.935 ( 1.838 1.788 0.049) 2.565 7.961 ( 2.369 0.315 -1.272) 2.707 8.080 ( 0.046 9.412 3.169) 9.931 8.167 ( 1.964 5.487 1.599) 6.043 8.292 ( -0.829 12.135 -3.514) 12.661 8.363 ( 0.539 8.477 -4.294) 9.518 8.654 ( -2.984 1.878 1.398) 3.793 8.669 ( -3.115 3.564 0.718) 4.788 9.258 ( 1.898 -1.041 1.373) 2.563 9.313 ( 1.729 -3.096 -1.114) 3.717 9.486 ( 1.520 1.421 0.077) 2.082 9.500 ( -1.387 -0.653 -0.645) 1.663 9.587 ( -0.060 -2.015 2.105) 2.915 9.667 ( 0.726 -3.121 -1.611) 3.586 9.932 ( -0.643 -5.715 0.287) 5.758 9.944 ( -0.187 -6.279 -0.255) 6.287 ======================= Grid point 146 (53/105) ======================= q-point: ( 0.25 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 6.301 8.544 0.954) 10.659 1.554 ( 5.559 3.843 -4.955) 8.380 1.656 ( 10.337 6.973 2.403) 12.698 1.758 ( 3.036 0.160 1.443) 3.365 1.826 ( 3.112 5.661 -2.906) 7.083 1.883 ( 1.985 -0.894 -0.277) 2.194 2.111 ( 1.262 2.688 3.213) 4.376 2.202 ( -1.278 4.951 -1.169) 5.246 2.252 ( -1.046 8.195 -0.706) 8.291 2.271 ( 0.612 11.328 -1.290) 11.418 2.376 ( -3.376 1.920 2.075) 4.404 2.398 ( -0.966 3.685 2.184) 4.391 2.501 ( -1.595 7.624 1.535) 7.939 2.523 ( -4.667 5.874 0.111) 7.504 2.535 ( -2.618 8.452 -0.105) 8.848 2.615 ( -2.708 7.227 -2.118) 8.003 3.270 ( 6.012 19.850 4.403) 21.202 3.497 ( 5.501 4.974 -6.344) 9.759 3.877 ( -0.621 -0.128 3.716) 3.770 3.989 ( -1.796 -4.927 -1.819) 5.550 4.235 ( 5.951 0.260 2.072) 6.307 4.317 ( 4.440 -6.454 -1.505) 7.977 4.368 ( 0.331 -3.264 1.560) 3.633 4.439 ( 0.734 -5.422 -1.443) 5.658 4.868 ( -0.696 -3.928 4.698) 6.163 5.029 ( -3.793 -1.509 1.210) 4.258 5.263 ( 2.895 4.821 -1.706) 5.877 5.442 ( -0.708 3.985 -6.482) 7.642 6.670 ( -0.403 6.171 4.741) 7.792 6.875 ( -2.990 2.506 -5.605) 6.829 7.058 ( -7.153 2.116 4.665) 8.798 7.171 ( -12.710 5.139 -1.347) 13.776 7.981 ( 2.511 2.967 0.378) 3.905 8.020 ( 2.780 4.428 -1.740) 5.510 8.105 ( 2.481 3.996 3.218) 5.699 8.210 ( 2.064 5.223 -0.453) 5.634 8.295 ( 1.081 11.585 -0.826) 11.665 8.374 ( 0.388 7.979 -3.442) 8.699 8.580 ( -3.957 1.427 0.861) 4.293 8.584 ( -4.746 3.183 0.681) 5.755 9.303 ( 1.867 -0.976 0.521) 2.171 9.327 ( -0.644 -2.450 -0.573) 2.597 9.436 ( -3.630 -1.665 1.299) 4.200 9.495 ( -1.151 -0.089 -1.585) 1.961 9.607 ( 1.933 -2.601 2.172) 3.902 9.708 ( 2.946 -3.444 -2.624) 5.237 9.905 ( -1.627 -4.668 1.419) 5.143 9.946 ( -0.010 -6.583 -0.616) 6.612 ======================= Grid point 147 (54/105) ======================= q-point: ( 0.38 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 6.058 5.224 1.445) 8.129 1.678 ( 6.096 1.089 -3.511) 7.119 1.747 ( -1.636 1.931 3.251) 4.120 1.848 ( 3.668 1.038 0.318) 3.826 1.920 ( 3.614 0.853 -1.794) 4.124 1.943 ( 6.066 3.962 -2.308) 7.604 2.140 ( -3.148 2.416 -0.111) 3.970 2.161 ( 1.130 -0.283 -1.518) 1.913 2.224 ( -1.697 7.464 0.928) 7.710 2.273 ( 0.511 6.195 -1.713) 6.448 2.332 ( -0.000 3.050 2.570) 3.989 2.389 ( -2.847 3.669 0.053) 4.644 2.418 ( -1.216 6.193 3.712) 7.322 2.459 ( -3.661 5.024 0.351) 6.227 2.485 ( -1.209 7.688 0.309) 7.789 2.562 ( -2.597 9.086 -1.561) 9.578 3.453 ( 10.485 18.599 3.494) 21.635 3.632 ( 6.842 4.223 -5.104) 9.523 3.838 ( -3.793 2.913 2.988) 5.639 3.916 ( -4.758 -3.983 -1.120) 6.305 4.323 ( 2.685 1.305 2.004) 3.596 4.364 ( 0.249 0.404 1.490) 1.564 4.416 ( 3.368 -8.383 -1.098) 9.101 4.457 ( 0.822 -7.219 -1.486) 7.416 4.863 ( 0.334 -4.837 3.666) 6.078 4.949 ( -3.657 -3.859 1.497) 5.523 5.323 ( 2.845 3.844 -2.531) 5.411 5.419 ( -1.567 3.181 -5.398) 6.458 6.667 ( 0.464 5.340 3.563) 6.437 6.798 ( -4.743 2.411 -2.441) 5.854 6.927 ( -4.228 4.738 1.791) 6.598 6.976 ( -5.782 5.666 -0.437) 8.107 8.033 ( 2.304 5.846 0.751) 6.328 8.062 ( 1.197 9.167 -0.353) 9.251 8.178 ( 4.127 -1.129 1.078) 4.413 8.249 ( 1.454 2.593 -1.355) 3.267 8.333 ( 2.509 9.563 -0.051) 9.887 8.379 ( 0.303 7.398 -2.012) 7.673 8.481 ( -4.914 3.812 0.871) 6.280 8.493 ( -4.329 2.278 0.195) 4.896 9.299 ( -1.242 -3.301 0.131) 3.529 9.319 ( -0.995 -1.558 -1.035) 2.119 9.382 ( -0.527 -0.712 2.226) 2.396 9.454 ( -2.496 0.016 -1.409) 2.866 9.664 ( 3.353 -3.009 1.564) 4.769 9.760 ( 1.089 -3.946 -3.479) 5.372 9.878 ( -0.371 -4.641 2.677) 5.370 9.935 ( -1.128 -6.319 -0.654) 6.452 ======================= Grid point 148 (55/105) ======================= q-point: (-0.50 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( -4.098 2.688 2.027) 5.304 1.682 ( 4.098 2.688 2.027) 5.304 1.804 ( -4.933 0.445 -2.778) 5.679 1.804 ( 4.933 0.445 -2.778) 5.679 2.015 ( -1.566 0.588 -0.299) 1.700 2.015 ( 1.566 0.588 -0.299) 1.700 2.103 ( -1.871 4.360 -0.394) 4.761 2.103 ( 1.871 4.360 -0.394) 4.761 2.279 ( -2.621 2.522 -0.661) 3.697 2.279 ( 2.621 2.522 -0.661) 3.697 2.327 ( -1.174 3.743 -0.609) 3.970 2.327 ( 1.174 3.743 -0.609) 3.970 2.411 ( -0.570 5.491 3.800) 6.701 2.411 ( 0.570 5.491 3.800) 6.701 2.505 ( -2.687 8.837 -0.895) 9.279 2.505 ( 2.687 8.837 -0.895) 9.279 3.660 ( -7.862 13.847 1.088) 15.961 3.660 ( 7.862 13.847 1.088) 15.961 3.809 ( -4.883 -3.168 -0.945) 5.897 3.809 ( 4.883 -3.168 -0.945) 5.897 4.358 ( -0.868 1.202 2.025) 2.510 4.358 ( 0.868 1.202 2.025) 2.510 4.460 ( -0.825 -8.111 -1.487) 8.288 4.460 ( 0.825 -8.111 -1.487) 8.288 4.887 ( -2.114 -4.946 2.463) 5.916 4.887 ( 2.114 -4.946 2.463) 5.916 5.378 ( -2.345 3.113 -3.937) 5.540 5.378 ( 2.345 3.113 -3.937) 5.540 6.704 ( -3.330 4.098 1.660) 5.535 6.704 ( 3.330 4.098 1.660) 5.535 6.904 ( -1.421 5.150 -0.429) 5.360 6.904 ( 1.421 5.150 -0.429) 5.360 8.067 ( -0.758 8.982 0.591) 9.034 8.067 ( 0.758 8.982 0.591) 9.034 8.249 ( -1.947 -1.332 -1.011) 2.567 8.249 ( 1.947 -1.332 -1.011) 2.567 8.394 ( -3.128 7.097 0.363) 7.764 8.394 ( 3.128 7.097 0.363) 7.764 8.409 ( -3.100 4.858 -0.312) 5.772 8.409 ( 3.100 4.858 -0.312) 5.772 9.292 ( -0.706 -2.965 0.028) 3.048 9.292 ( 0.706 -2.965 0.028) 3.048 9.404 ( -2.025 0.166 0.040) 2.032 9.404 ( 2.025 0.166 0.040) 2.032 9.734 ( -2.952 -3.457 -0.477) 4.571 9.734 ( 2.952 -3.457 -0.477) 4.571 9.901 ( -1.938 -5.629 0.421) 5.968 9.901 ( 1.938 -5.629 0.421) 5.968 ======================= Grid point 153 (56/105) ======================= q-point: ( 0.00 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 0.000 6.242 1.424) 6.402 1.552 ( 0.000 7.837 -1.989) 8.085 1.676 ( 0.000 9.746 3.211) 10.261 1.746 ( 0.000 3.674 7.473) 8.328 1.754 ( 0.000 -4.038 2.017) 4.514 1.930 ( 0.000 7.979 -6.260) 10.142 2.208 ( 0.000 2.185 5.397) 5.822 2.251 ( 0.000 -4.666 -4.141) 6.238 2.351 ( 0.000 7.956 -3.796) 8.815 2.387 ( 0.000 1.105 -0.127) 1.112 2.523 ( 0.000 2.673 2.487) 3.651 2.584 ( 0.000 3.612 0.127) 3.615 2.686 ( 0.000 8.475 2.636) 8.876 2.795 ( 0.000 7.382 -2.119) 7.680 2.817 ( 0.000 6.107 -0.236) 6.112 2.817 ( 0.000 8.328 -0.286) 8.332 3.409 ( 0.000 -1.291 1.017) 1.644 3.524 ( 0.000 10.069 -4.779) 11.146 3.837 ( 0.000 -1.787 3.388) 3.830 3.900 ( 0.000 -3.310 0.122) 3.313 4.004 ( 0.000 3.166 -0.585) 3.220 4.029 ( 0.000 -7.876 -1.409) 8.001 4.349 ( 0.000 2.450 1.796) 3.038 4.406 ( 0.000 2.359 -0.812) 2.495 4.938 ( 0.000 6.278 6.951) 9.366 5.266 ( 0.000 7.698 6.154) 9.856 5.293 ( 0.000 7.348 -8.714) 11.399 5.552 ( 0.000 3.954 -6.661) 7.746 6.793 ( 0.000 4.474 4.235) 6.161 6.974 ( 0.000 1.302 -5.170) 5.331 7.246 ( 0.000 -0.895 8.207) 8.256 7.529 ( 0.000 -2.108 -5.628) 6.010 7.932 ( 0.000 0.167 0.159) 0.231 7.945 ( 0.000 1.363 -0.389) 1.417 8.214 ( 0.000 3.382 3.433) 4.819 8.261 ( 0.000 3.709 1.099) 3.868 8.527 ( 0.000 8.821 -4.801) 10.043 8.532 ( 0.000 8.706 -4.727) 9.906 8.770 ( 0.000 3.139 2.947) 4.306 8.778 ( 0.000 6.031 2.373) 6.481 9.236 ( 0.000 0.292 -0.007) 0.292 9.244 ( 0.000 -0.602 -0.334) 0.688 9.515 ( 0.000 3.163 0.466) 3.197 9.530 ( 0.000 0.918 -0.130) 0.927 9.576 ( 0.000 0.131 0.513) 0.530 9.606 ( 0.000 -2.309 -0.766) 2.433 9.812 ( 0.000 -4.829 0.810) 4.897 9.848 ( 0.000 -4.380 -0.803) 4.453 ======================= Grid point 154 (57/105) ======================= q-point: ( 0.12 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 1.987 5.295 1.406) 5.827 1.588 ( 2.884 6.917 -2.974) 8.063 1.695 ( 2.346 7.445 3.537) 8.570 1.721 ( -0.488 1.045 3.653) 3.831 1.799 ( 2.133 -1.872 4.720) 5.508 1.930 ( 0.373 7.958 -5.653) 9.768 2.183 ( -1.900 1.639 4.256) 4.941 2.254 ( -0.119 -3.822 -2.598) 4.623 2.327 ( -1.796 4.065 -1.385) 4.655 2.403 ( 0.975 3.783 -3.284) 5.104 2.496 ( -2.384 1.752 2.823) 4.089 2.540 ( -3.947 2.870 0.422) 4.898 2.681 ( -0.657 7.665 2.481) 8.083 2.748 ( -4.879 5.293 0.111) 7.199 2.781 ( -2.987 8.733 -0.776) 9.262 2.790 ( -2.026 4.736 -1.672) 5.416 3.447 ( 3.483 -0.079 1.483) 3.786 3.558 ( 3.463 13.491 -3.728) 14.419 3.846 ( 0.963 -2.097 1.351) 2.674 3.890 ( -0.362 -3.532 -0.286) 3.562 4.050 ( 4.516 -5.953 1.028) 7.543 4.122 ( 6.686 1.030 -2.098) 7.083 4.359 ( 0.926 2.991 2.099) 3.769 4.415 ( 0.857 2.996 -0.668) 3.187 4.922 ( -1.488 5.931 6.755) 9.111 5.191 ( -4.897 6.822 0.819) 8.437 5.338 ( 2.167 7.088 -3.348) 8.133 5.542 ( -0.889 3.576 -6.598) 7.557 6.788 ( -0.512 4.386 3.994) 5.954 6.957 ( -1.592 1.452 -4.803) 5.264 7.199 ( -4.257 -0.264 7.253) 8.414 7.437 ( -8.173 -0.703 -4.430) 9.323 7.952 ( 1.826 0.141 0.148) 1.838 7.966 ( 2.054 0.800 -0.463) 2.253 8.194 ( -1.147 3.327 3.186) 4.748 8.276 ( 0.799 2.692 0.202) 2.815 8.517 ( -0.205 9.187 -3.809) 9.948 8.540 ( 0.053 7.656 -4.233) 8.748 8.714 ( -3.654 3.855 3.345) 6.277 8.762 ( -2.559 5.827 0.846) 6.420 9.239 ( 1.495 -0.836 1.512) 2.285 9.298 ( 2.974 1.103 -1.147) 3.373 9.491 ( -3.322 0.014 1.097) 3.498 9.526 ( 0.150 2.214 -0.517) 2.279 9.564 ( -0.438 -0.384 0.740) 0.941 9.615 ( 1.052 -1.609 -1.532) 2.458 9.819 ( 0.519 -4.815 0.557) 4.875 9.841 ( -0.668 -4.043 -0.393) 4.117 ======================= Grid point 155 (58/105) ======================= q-point: ( 0.25 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 3.289 3.137 1.134) 4.685 1.647 ( 2.611 4.080 -3.617) 6.045 1.730 ( 1.415 -2.039 3.556) 4.337 1.788 ( 5.584 6.417 3.446) 9.178 1.832 ( 1.717 -2.253 0.604) 2.897 1.960 ( 2.392 6.050 -3.738) 7.503 2.148 ( -1.074 0.882 2.757) 3.088 2.220 ( -3.291 -1.676 -1.550) 4.005 2.301 ( -0.649 0.068 1.023) 1.214 2.392 ( -3.098 1.414 -1.517) 3.728 2.433 ( -5.082 0.904 1.129) 5.284 2.467 ( 0.301 3.207 -0.513) 3.262 2.620 ( -5.752 4.242 1.877) 7.389 2.662 ( -2.230 6.059 1.709) 6.678 2.689 ( -5.410 6.511 -0.895) 8.512 2.747 ( -2.222 3.931 -1.660) 4.811 3.541 ( 5.127 0.884 2.351) 5.709 3.665 ( 6.421 15.245 -3.299) 16.867 3.845 ( -0.927 -3.035 1.340) 3.445 3.922 ( 2.808 -0.936 -1.970) 3.555 4.157 ( 5.257 -7.143 2.079) 9.110 4.257 ( 5.623 2.733 -2.920) 6.900 4.384 ( 1.275 3.808 2.746) 4.864 4.437 ( 1.164 4.595 -0.363) 4.754 4.884 ( -1.842 4.988 5.966) 7.992 5.076 ( -6.007 5.398 0.996) 8.137 5.376 ( 1.564 5.624 -3.380) 6.746 5.516 ( -1.640 2.720 -6.306) 7.061 6.772 ( -0.901 4.128 3.386) 5.415 6.911 ( -2.777 1.808 -3.695) 4.963 7.089 ( -5.653 1.039 4.960) 7.592 7.234 ( -10.057 1.806 -2.211) 10.454 8.002 ( 2.969 0.184 0.391) 3.001 8.029 ( 3.823 -0.355 -0.804) 3.923 8.182 ( -0.035 2.216 2.861) 3.619 8.284 ( -0.134 0.983 -1.118) 1.495 8.521 ( 0.355 8.067 -2.643) 8.496 8.533 ( -0.588 5.996 -2.709) 6.606 8.637 ( -3.481 4.857 2.634) 6.531 8.689 ( -3.959 6.403 -0.131) 7.530 9.269 ( 0.599 -0.537 1.859) 2.025 9.340 ( 0.592 2.134 -1.494) 2.672 9.412 ( -3.165 0.032 2.744) 4.189 9.514 ( -1.023 1.372 -2.081) 2.694 9.574 ( 1.235 -0.670 1.391) 1.977 9.650 ( 2.197 -2.136 -2.439) 3.916 9.820 ( -1.177 -4.015 0.618) 4.229 9.826 ( -0.153 -4.598 0.152) 4.603 ======================= Grid point 156 (59/105) ======================= q-point: ( 0.38 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 3.394 0.701 0.968) 3.599 1.693 ( 1.479 -0.250 -1.760) 2.312 1.763 ( 1.850 -0.229 1.483) 2.382 1.840 ( 0.481 -1.293 -0.086) 1.383 1.936 ( 5.961 1.747 -0.019) 6.212 2.013 ( 2.156 3.398 -2.005) 4.496 2.141 ( -0.755 -1.150 0.300) 1.408 2.152 ( -1.887 -0.569 -0.515) 2.037 2.253 ( -2.547 -0.394 2.430) 3.542 2.332 ( -2.604 0.344 -1.379) 2.966 2.361 ( -1.141 -0.614 2.595) 2.900 2.471 ( -2.019 2.372 -1.696) 3.546 2.530 ( -2.919 3.761 2.240) 5.262 2.567 ( -3.298 4.454 1.414) 5.720 2.627 ( -1.445 5.366 0.118) 5.559 2.697 ( -2.603 3.405 -1.555) 4.560 3.647 ( 4.859 -0.218 3.042) 5.737 3.779 ( 1.430 2.076 -1.500) 2.933 3.840 ( 2.904 8.340 0.388) 8.840 3.963 ( 0.546 3.372 -3.735) 5.061 4.253 ( 3.817 -5.759 2.448) 7.330 4.330 ( 0.974 1.082 -0.626) 1.584 4.416 ( 2.011 4.991 1.314) 5.540 4.458 ( 0.599 5.960 -0.340) 6.000 4.858 ( -0.380 3.935 4.506) 5.994 4.956 ( -5.089 4.065 1.839) 6.768 5.406 ( 1.439 3.723 -3.947) 5.613 5.477 ( -1.938 2.076 -5.647) 6.321 6.757 ( -0.325 3.763 2.559) 4.562 6.842 ( -3.761 2.466 -1.393) 4.708 6.994 ( -2.771 2.245 2.241) 4.212 7.063 ( -5.942 3.002 -0.854) 6.712 8.072 ( 3.572 0.015 0.804) 3.662 8.115 ( 4.157 -0.896 -1.257) 4.434 8.182 ( -0.263 0.437 2.239) 2.296 8.265 ( -1.751 -0.939 -1.371) 2.414 8.511 ( -0.861 3.823 -0.865) 4.013 8.530 ( -0.444 6.011 -1.423) 6.193 8.579 ( -1.576 7.198 0.903) 7.423 8.617 ( -2.664 7.121 -0.744) 7.639 9.262 ( -0.602 0.644 1.711) 1.925 9.303 ( -2.714 0.852 0.672) 2.923 9.403 ( 1.280 2.489 0.826) 2.919 9.482 ( -2.042 2.299 -2.011) 3.674 9.618 ( 2.857 -1.554 0.942) 3.386 9.692 ( 1.197 -2.760 -3.001) 4.249 9.792 ( -1.059 -3.692 1.724) 4.210 9.816 ( -0.847 -5.141 0.030) 5.210 ======================= Grid point 157 (60/105) ======================= q-point: (-0.50 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -1.887 -1.242 0.855) 2.415 1.688 ( 1.887 -1.242 0.855) 2.415 1.816 ( -2.603 -0.336 -1.489) 3.018 1.816 ( 2.603 -0.336 -1.489) 3.018 2.020 ( -1.881 1.048 -0.383) 2.187 2.020 ( 1.881 1.048 -0.383) 2.187 2.125 ( -0.848 -0.573 -0.238) 1.051 2.125 ( 0.848 -0.573 -0.238) 1.051 2.284 ( -3.471 -0.875 1.775) 3.995 2.284 ( 3.471 -0.875 1.775) 3.995 2.371 ( -4.472 0.488 -1.244) 4.667 2.371 ( 4.472 0.488 -1.244) 4.667 2.528 ( -2.125 4.382 3.316) 5.891 2.528 ( 2.125 4.382 3.316) 5.891 2.641 ( -2.474 3.714 -1.583) 4.735 2.641 ( 2.474 3.714 -1.583) 4.735 3.736 ( -3.612 -2.299 2.898) 5.170 3.736 ( 3.612 -2.299 2.898) 5.170 3.932 ( -3.584 9.214 -3.876) 10.620 3.932 ( 3.584 9.214 -3.876) 10.620 4.314 ( -2.008 -2.590 2.116) 3.901 4.314 ( 2.008 -2.590 2.116) 3.901 4.453 ( -1.155 6.028 -0.370) 6.148 4.453 ( 1.155 6.028 -0.370) 6.148 4.877 ( -2.357 3.511 2.999) 5.185 4.877 ( 2.357 3.511 2.999) 5.185 5.439 ( -1.719 2.344 -4.755) 5.573 5.439 ( 1.719 2.344 -4.755) 5.573 6.774 ( -2.218 3.297 1.210) 4.154 6.774 ( 2.218 3.297 1.210) 4.154 6.985 ( -1.737 2.872 0.065) 3.357 6.985 ( 1.737 2.872 0.065) 3.357 8.139 ( -2.432 0.310 0.937) 2.624 8.139 ( 2.432 0.310 0.937) 2.624 8.211 ( -3.306 -2.085 -0.911) 4.013 8.211 ( 3.306 -2.085 -0.911) 4.013 8.508 ( -0.833 4.172 0.182) 4.258 8.508 ( 0.833 4.172 0.182) 4.258 8.580 ( -1.045 7.779 -1.090) 7.924 8.580 ( 1.045 7.779 -1.090) 7.924 9.264 ( -0.942 1.172 1.601) 2.197 9.264 ( 0.942 1.172 1.601) 2.197 9.438 ( -1.983 2.742 -0.913) 3.505 9.438 ( 1.983 2.742 -0.913) 3.505 9.677 ( -2.380 -2.105 -0.881) 3.297 9.677 ( 2.380 -2.105 -0.881) 3.297 9.794 ( -1.053 -4.726 0.668) 4.887 9.794 ( 1.053 -4.726 0.668) 4.887 ======================= Grid point 162 (61/105) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 0.000 2.780 1.545) 3.180 1.660 ( 0.000 -3.078 5.354) 6.175 1.672 ( 0.000 2.722 -1.111) 2.940 1.769 ( 0.000 3.275 1.266) 3.511 1.927 ( 0.000 10.195 3.610) 10.815 2.076 ( 0.000 5.048 -4.318) 6.643 2.128 ( 0.000 -6.967 -3.909) 7.988 2.211 ( 0.000 -1.669 -0.507) 1.744 2.390 ( 0.000 -0.385 3.581) 3.601 2.468 ( 0.000 3.007 -4.295) 5.243 2.557 ( 0.000 1.093 1.530) 1.880 2.599 ( 0.000 -1.149 0.795) 1.397 2.830 ( 0.000 4.732 0.158) 4.735 2.864 ( 0.000 0.950 -1.164) 1.502 2.906 ( 0.000 3.622 2.187) 4.230 2.968 ( 0.000 5.279 -0.752) 5.332 3.399 ( 0.000 1.271 2.200) 2.540 3.580 ( 0.000 -1.649 -7.145) 7.333 3.812 ( 0.000 -4.135 2.716) 4.947 3.873 ( 0.000 -5.387 4.550) 7.052 3.962 ( 0.000 8.752 -0.004) 8.752 4.110 ( 0.000 5.320 -3.571) 6.407 4.441 ( 0.000 5.331 1.361) 5.502 4.482 ( 0.000 4.126 -0.580) 4.167 5.120 ( 0.000 10.618 6.142) 12.266 5.423 ( 0.000 7.144 4.026) 8.201 5.438 ( 0.000 5.763 -8.351) 10.147 5.598 ( 0.000 0.462 -3.394) 3.425 6.877 ( 0.000 4.062 3.089) 5.103 7.018 ( 0.000 2.520 -4.573) 5.221 7.235 ( 0.000 0.432 7.612) 7.624 7.485 ( 0.000 -2.596 -4.800) 5.457 7.941 ( 0.000 0.698 0.499) 0.858 7.965 ( 0.000 0.559 -0.545) 0.780 8.258 ( 0.000 0.636 1.285) 1.434 8.278 ( 0.000 -0.900 0.066) 0.903 8.670 ( 0.000 5.900 -3.387) 6.803 8.691 ( 0.000 6.384 -3.227) 7.153 8.846 ( 0.000 3.956 4.586) 6.057 8.903 ( 0.000 5.203 1.422) 5.394 9.230 ( 0.000 -1.042 -0.494) 1.154 9.240 ( 0.000 -0.244 -0.752) 0.791 9.552 ( 0.000 1.416 0.453) 1.486 9.575 ( 0.000 0.964 -0.585) 1.127 9.585 ( 0.000 1.880 0.234) 1.895 9.593 ( 0.000 1.219 -0.171) 1.231 9.735 ( 0.000 -2.837 1.076) 3.034 9.774 ( 0.000 -2.960 -0.682) 3.037 ======================= Grid point 163 (62/105) ======================= q-point: ( 0.12 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 1.073 2.698 1.561) 3.296 1.657 ( -0.080 -2.156 3.729) 4.308 1.691 ( 1.395 1.662 -1.075) 2.422 1.781 ( 0.936 1.883 0.364) 2.134 1.918 ( -0.336 9.546 4.340) 10.492 2.069 ( -0.437 4.392 -2.976) 5.323 2.138 ( 0.748 -4.734 -3.643) 6.020 2.201 ( -1.036 -1.815 -0.256) 2.105 2.370 ( -1.928 0.593 2.606) 3.295 2.455 ( -1.544 1.034 -4.278) 4.664 2.505 ( -4.425 -0.149 1.802) 4.780 2.554 ( -3.715 -1.069 0.484) 3.896 2.786 ( -4.632 1.980 -0.299) 5.046 2.816 ( -3.738 0.292 -1.023) 3.887 2.859 ( -3.603 4.461 2.543) 6.273 2.922 ( -4.244 4.819 -0.610) 6.451 3.456 ( 4.842 1.902 2.785) 5.901 3.650 ( 5.793 -1.571 -6.998) 9.220 3.794 ( -0.913 -3.049 2.750) 4.206 3.902 ( 1.394 -5.222 -0.227) 5.409 4.001 ( 5.062 9.729 4.606) 11.895 4.201 ( 6.968 4.322 -4.138) 9.184 4.459 ( 1.545 5.583 1.681) 6.032 4.502 ( 1.781 4.432 -0.493) 4.802 5.098 ( -1.972 10.483 5.973) 12.225 5.347 ( -5.132 7.623 -0.356) 9.197 5.466 ( 0.680 4.618 -3.762) 5.995 5.582 ( -1.539 0.145 -3.489) 3.816 6.870 ( -0.698 3.921 2.912) 4.934 7.001 ( -1.555 2.423 -4.207) 5.098 7.198 ( -3.337 0.778 6.837) 7.648 7.415 ( -6.266 -1.697 -3.957) 7.603 7.958 ( 1.623 0.535 0.452) 1.768 7.980 ( 1.410 0.394 -0.509) 1.550 8.235 ( -1.527 0.700 1.520) 2.265 8.283 ( -0.067 -1.158 -0.578) 1.296 8.649 ( -2.049 4.745 -2.298) 5.656 8.677 ( -1.087 5.943 -2.883) 6.694 8.802 ( -3.015 3.840 3.486) 5.999 8.873 ( -3.409 3.634 -0.064) 4.984 9.235 ( 2.545 0.625 1.971) 3.279 9.322 ( 4.688 0.625 -1.911) 5.101 9.509 ( -3.449 1.761 1.158) 4.042 9.550 ( -1.705 0.474 -0.345) 1.803 9.588 ( 0.177 2.391 -0.042) 2.398 9.603 ( 0.491 0.047 -0.966) 1.085 9.739 ( 0.151 -3.077 1.063) 3.259 9.773 ( -0.127 -2.688 -0.525) 2.742 ======================= Grid point 164 (63/105) ======================= q-point: ( 0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 1.636 2.089 1.391) 2.996 1.660 ( 0.353 -1.592 2.573) 3.047 1.719 ( 1.311 0.542 -2.261) 2.669 1.799 ( 0.595 -0.926 -1.580) 1.926 1.934 ( 2.179 7.466 4.386) 8.929 2.070 ( 0.603 4.135 -1.293) 4.374 2.143 ( -0.725 -1.065 -1.006) 1.635 2.172 ( -1.439 -2.418 -1.196) 3.057 2.315 ( -3.076 0.993 1.349) 3.502 2.384 ( -4.430 -1.465 -0.250) 4.673 2.411 ( -4.952 -2.038 0.891) 5.428 2.487 ( -1.770 -1.845 -2.223) 3.387 2.667 ( -5.595 0.561 1.488) 5.816 2.733 ( -4.466 0.633 -0.993) 4.619 2.772 ( -4.447 1.545 0.997) 4.812 2.810 ( -5.945 3.673 -0.345) 6.997 3.568 ( 5.374 2.547 3.672) 6.990 3.759 ( 1.809 -1.056 -2.489) 3.253 3.804 ( 4.005 -2.651 -0.695) 4.853 3.937 ( 1.925 -3.195 -2.892) 4.720 4.142 ( 7.607 8.657 5.748) 12.878 4.350 ( 6.599 4.617 -4.566) 9.258 4.494 ( 1.602 5.947 2.385) 6.605 4.547 ( 2.220 5.012 -0.421) 5.498 5.046 ( -2.736 10.034 5.365) 11.702 5.222 ( -6.586 8.163 0.443) 10.498 5.465 ( -0.576 2.336 -3.891) 4.574 5.538 ( -2.505 -0.667 -3.693) 4.512 6.850 ( -1.061 3.727 2.492) 4.607 6.959 ( -2.316 2.566 -3.308) 4.784 7.109 ( -4.844 1.219 5.037) 7.094 7.254 ( -8.335 0.028 -2.260) 8.636 8.005 ( 2.747 0.228 0.368) 2.781 8.024 ( 2.841 -0.184 -0.498) 2.890 8.207 ( -1.194 0.410 1.578) 2.021 8.270 ( -1.183 -1.668 -1.177) 2.359 8.597 ( -2.517 2.838 -0.183) 3.798 8.653 ( -1.248 4.603 -2.578) 5.421 8.738 ( -3.207 3.220 1.238) 4.710 8.781 ( -4.701 1.634 -0.741) 5.032 9.299 ( 2.691 3.319 2.609) 5.006 9.398 ( 1.230 3.245 -1.835) 3.926 9.442 ( -1.459 2.560 2.155) 3.650 9.529 ( 0.100 0.050 -1.155) 1.160 9.586 ( -0.350 1.528 0.079) 1.570 9.615 ( 0.868 -1.490 -1.536) 2.309 9.735 ( -0.533 -3.471 1.108) 3.682 9.763 ( -0.990 -2.470 -0.274) 2.675 ======================= Grid point 165 (64/105) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 1.557 0.845 1.297) 2.196 1.667 ( 0.250 -1.303 1.894) 2.313 1.750 ( 1.669 -1.024 -2.686) 3.324 1.801 ( -0.378 -2.285 -2.325) 3.282 2.003 ( 3.756 3.958 2.266) 5.908 2.084 ( 0.219 3.496 -0.292) 3.515 2.124 ( -0.606 -0.272 -0.743) 0.997 2.135 ( -1.775 -0.610 -1.179) 2.216 2.248 ( -2.848 0.005 2.240) 3.623 2.312 ( -3.590 -3.231 2.339) 5.366 2.330 ( -0.615 -1.080 -0.524) 1.348 2.452 ( -3.021 -3.654 -2.805) 5.509 2.580 ( -2.425 0.914 2.342) 3.493 2.632 ( -3.571 2.480 1.064) 4.476 2.689 ( -4.243 0.799 -1.136) 4.465 2.707 ( -2.980 -1.490 -0.901) 3.451 3.665 ( 3.801 2.304 4.140) 6.074 3.757 ( -0.872 0.058 2.933) 3.060 3.903 ( 4.086 -3.310 -4.733) 7.074 3.968 ( 0.810 -3.664 -4.054) 5.524 4.294 ( 6.617 9.075 4.635) 12.150 4.442 ( 1.287 7.280 -1.723) 7.591 4.528 ( 2.241 5.021 0.974) 5.584 4.582 ( 0.896 5.218 -0.758) 5.348 5.001 ( -1.200 9.328 4.244) 10.318 5.091 ( -5.508 8.441 1.606) 10.207 5.451 ( -0.504 0.052 -3.932) 3.964 5.487 ( -2.245 -1.445 -3.832) 4.670 6.833 ( -0.287 3.890 2.000) 4.383 6.907 ( -2.861 3.705 -1.534) 4.926 7.024 ( -2.464 0.738 2.686) 3.719 7.103 ( -5.708 0.844 -1.045) 5.864 8.068 ( 3.226 -0.138 0.466) 3.263 8.094 ( 3.664 -0.996 -0.673) 3.856 8.180 ( -1.578 -0.326 1.188) 2.002 8.233 ( -2.455 -1.906 -1.096) 3.295 8.561 ( -0.698 2.115 0.785) 2.361 8.620 ( -2.157 3.093 -1.174) 3.950 8.678 ( -2.046 1.972 -0.796) 2.951 8.698 ( -2.988 0.696 -1.055) 3.244 9.331 ( 0.651 5.402 2.254) 5.889 9.368 ( -1.727 5.036 1.857) 5.638 9.466 ( 1.771 3.278 -0.610) 3.775 9.532 ( -0.830 2.027 -2.484) 3.312 9.596 ( 1.964 -0.626 0.858) 2.232 9.640 ( 1.267 -2.517 -1.765) 3.325 9.719 ( -0.978 -3.660 1.069) 3.936 9.733 ( -1.652 -2.779 0.161) 3.237 ======================= Grid point 166 (65/105) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -0.695 -0.523 1.537) 1.766 1.664 ( 0.695 -0.523 1.537) 1.766 1.783 ( -1.350 -2.418 -2.587) 3.790 1.783 ( 1.350 -2.418 -2.587) 3.790 2.066 ( -2.075 2.733 0.148) 3.434 2.066 ( 2.075 2.733 0.148) 3.434 2.114 ( -0.547 0.270 -0.625) 0.873 2.114 ( 0.547 0.270 -0.625) 0.873 2.252 ( -2.498 -2.246 2.603) 4.250 2.252 ( 2.498 -2.246 2.603) 4.250 2.360 ( -3.934 -1.476 -1.158) 4.359 2.360 ( 3.934 -1.476 -1.158) 4.359 2.580 ( -2.043 1.040 1.933) 2.998 2.580 ( 2.043 1.040 1.933) 2.998 2.659 ( -1.443 -1.282 -1.619) 2.519 2.659 ( 1.443 -1.282 -1.619) 2.519 3.726 ( -2.165 1.314 3.986) 4.722 3.726 ( 2.165 1.314 3.986) 4.722 3.962 ( -1.531 -3.852 -4.672) 6.245 3.962 ( 1.531 -3.852 -4.672) 6.245 4.406 ( -3.977 8.883 2.667) 10.091 4.406 ( 3.977 8.883 2.667) 10.091 4.576 ( -1.561 4.946 -1.128) 5.308 4.576 ( 1.561 4.946 -1.128) 5.308 5.009 ( -2.174 8.735 2.893) 9.455 5.009 ( 2.174 8.735 2.893) 9.455 5.453 ( -0.833 -1.351 -3.880) 4.192 5.453 ( 0.833 -1.351 -3.880) 4.192 6.850 ( -2.027 4.207 1.002) 4.776 6.850 ( 2.027 4.207 1.002) 4.776 7.022 ( -2.079 0.657 0.059) 2.181 7.022 ( 2.079 0.657 0.059) 2.181 8.133 ( -2.729 -0.448 0.632) 2.837 8.133 ( 2.729 -0.448 0.632) 2.837 8.171 ( -3.354 -1.745 -0.771) 3.859 8.171 ( 3.354 -1.745 -0.771) 3.859 8.573 ( -1.768 2.332 0.536) 2.975 8.573 ( 1.768 2.332 0.536) 2.975 8.662 ( -0.483 0.858 -1.616) 1.892 8.662 ( 0.483 0.858 -1.616) 1.892 9.343 ( -0.781 5.797 2.292) 6.282 9.343 ( 0.781 5.797 2.292) 6.282 9.502 ( -1.688 3.093 -1.624) 3.880 9.502 ( 1.688 3.093 -1.624) 3.880 9.643 ( -1.598 -1.418 -0.752) 2.265 9.643 ( 1.598 -1.418 -0.752) 2.265 9.707 ( -0.509 -3.787 0.773) 3.899 9.707 ( 0.509 -3.787 0.773) 3.899 ======================= Grid point 171 (66/105) ======================= q-point: ( 0.00 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 0.000 1.621 2.952) 3.368 1.655 ( 0.000 -3.144 1.684) 3.566 1.695 ( 0.000 5.859 0.532) 5.883 1.812 ( 0.000 -2.153 -5.733) 6.124 2.011 ( 0.000 -0.746 -1.102) 1.330 2.082 ( 0.000 -4.299 -2.859) 5.163 2.116 ( 0.000 6.803 2.941) 7.411 2.188 ( 0.000 -0.600 -0.910) 1.090 2.395 ( 0.000 1.505 1.641) 2.227 2.457 ( 0.000 -3.486 -1.920) 3.980 2.574 ( 0.000 0.581 0.283) 0.646 2.581 ( 0.000 -0.221 0.216) 0.309 2.868 ( 0.000 -0.044 -0.614) 0.616 2.868 ( 0.000 0.164 -0.893) 0.908 2.990 ( 0.000 3.624 2.184) 4.231 3.026 ( 0.000 0.414 0.266) 0.492 3.465 ( 0.000 4.511 -0.275) 4.519 3.542 ( 0.000 -2.412 -4.656) 5.244 3.751 ( 0.000 -1.465 5.298) 5.497 3.770 ( 0.000 -3.470 6.331) 7.220 4.124 ( 0.000 5.582 -2.046) 5.945 4.176 ( 0.000 0.558 -3.621) 3.663 4.530 ( 0.000 2.780 0.548) 2.834 4.544 ( 0.000 1.417 -0.135) 1.423 5.336 ( 0.000 9.639 2.614) 9.987 5.477 ( 0.000 -3.030 -4.016) 5.031 5.541 ( 0.000 4.058 1.347) 4.276 5.586 ( 0.000 -0.943 -0.298) 0.989 6.964 ( 0.000 4.211 2.157) 4.731 7.031 ( 0.000 -1.775 -0.714) 1.913 7.293 ( 0.000 5.211 2.279) 5.687 7.408 ( 0.000 -5.042 -2.627) 5.685 7.957 ( 0.000 0.732 0.343) 0.809 7.968 ( 0.000 -0.272 -0.139) 0.306 8.253 ( 0.000 -0.513 -0.312) 0.600 8.255 ( 0.000 -0.851 -0.484) 0.979 8.776 ( 0.000 3.580 -2.424) 4.323 8.785 ( 0.000 2.540 -2.162) 3.335 8.913 ( 0.000 2.746 3.524) 4.468 8.956 ( 0.000 -0.422 1.103) 1.181 9.211 ( 0.000 -0.105 0.017) 0.106 9.226 ( 0.000 -1.047 -0.563) 1.188 9.582 ( 0.000 1.082 -0.504) 1.194 9.585 ( 0.000 0.553 -0.671) 0.869 9.617 ( 0.000 1.196 0.792) 1.434 9.630 ( 0.000 0.951 0.280) 0.991 9.696 ( 0.000 -0.440 0.701) 0.828 9.722 ( 0.000 -2.167 -0.422) 2.208 ======================= Grid point 172 (67/105) ======================= q-point: ( 0.12 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 1.014 1.585 2.650) 3.250 1.664 ( 0.839 -2.944 1.178) 3.281 1.696 ( 0.043 5.343 0.409) 5.358 1.803 ( -0.856 -2.341 -5.478) 6.018 2.037 ( 2.133 -0.431 -0.521) 2.238 2.094 ( -0.895 5.074 2.246) 5.621 2.101 ( 1.039 -2.102 -1.533) 2.801 2.173 ( -1.368 -0.758 -0.434) 1.623 2.382 ( -1.322 1.469 1.183) 2.303 2.436 ( -2.156 -2.813 -1.803) 3.977 2.507 ( -5.851 0.385 -0.033) 5.864 2.522 ( -4.901 -1.245 -0.571) 5.089 2.797 ( -5.997 -0.108 -0.384) 6.011 2.801 ( -5.354 -0.741 -0.546) 5.433 2.947 ( -4.116 3.287 1.660) 5.523 2.977 ( -4.543 0.547 0.107) 4.577 3.528 ( 5.206 4.506 0.274) 6.891 3.607 ( 5.339 -2.730 -4.017) 7.218 3.757 ( 0.750 -0.193 4.998) 5.058 3.797 ( 2.043 -4.025 4.838) 6.617 4.182 ( 5.349 6.389 -1.180) 8.416 4.249 ( 6.194 -0.215 -3.521) 7.128 4.551 ( 1.870 2.911 0.668) 3.524 4.567 ( 2.014 1.419 -0.104) 2.466 5.314 ( -2.027 9.722 2.572) 10.259 5.451 ( -2.499 -1.192 -3.758) 4.668 5.511 ( -2.665 2.323 1.390) 3.799 5.563 ( -2.203 -1.493 -0.600) 2.728 6.952 ( -1.029 3.969 1.975) 4.551 7.015 ( -1.460 -1.586 -0.713) 2.271 7.256 ( -3.493 4.728 2.117) 6.248 7.356 ( -4.755 -4.230 -2.187) 6.730 7.971 ( 1.378 0.634 0.304) 1.547 7.981 ( 1.264 -0.260 -0.132) 1.297 8.237 ( -1.108 0.082 -0.067) 1.113 8.252 ( -0.550 -1.383 -0.730) 1.658 8.748 ( -2.833 4.179 -1.605) 5.298 8.766 ( -1.672 2.459 -2.050) 3.612 8.849 ( -4.411 1.178 2.387) 5.152 8.886 ( -5.697 -1.869 0.446) 6.012 9.268 ( 5.151 2.356 1.103) 5.770 9.312 ( 5.890 -1.557 -0.866) 6.153 9.552 ( -2.292 1.980 -0.157) 3.033 9.568 ( -1.520 0.746 -0.815) 1.879 9.605 ( -0.968 0.415 0.667) 1.247 9.622 ( -0.849 0.048 0.354) 0.920 9.700 ( 0.118 -0.188 0.630) 0.668 9.726 ( 0.117 -2.018 -0.470) 2.076 ======================= Grid point 173 (68/105) ======================= q-point: ( 0.25 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 1.211 1.506 1.968) 2.758 1.685 ( 1.017 -1.921 0.189) 2.181 1.696 ( -0.022 3.417 0.205) 3.423 1.780 ( -1.225 -2.424 -4.591) 5.334 2.051 ( -0.386 2.900 3.609) 4.645 2.112 ( -0.196 -2.033 -0.412) 2.084 2.120 ( 2.584 2.026 0.193) 3.289 2.157 ( 0.638 0.781 -0.607) 1.177 2.338 ( -3.054 1.289 -0.276) 3.326 2.351 ( -6.008 -0.712 -0.775) 6.099 2.382 ( -4.811 -0.913 -0.572) 4.930 2.411 ( -5.104 -4.230 -1.983) 6.919 2.667 ( -5.458 0.228 0.636) 5.500 2.695 ( -4.109 -2.444 -0.649) 4.824 2.826 ( -7.105 2.488 0.921) 7.584 2.851 ( -7.186 0.280 -0.303) 7.198 3.644 ( 5.363 4.433 1.278) 7.075 3.725 ( 5.300 -2.987 -2.788) 6.693 3.779 ( 1.228 1.180 4.060) 4.403 3.840 ( 1.963 -4.517 2.295) 5.434 4.323 ( 7.486 6.771 -0.017) 10.094 4.397 ( 7.385 -0.482 -3.083) 8.017 4.594 ( 1.865 3.262 0.868) 3.857 4.615 ( 2.278 1.307 -0.163) 2.631 5.259 ( -2.953 9.912 2.417) 10.621 5.374 ( -4.773 4.503 -2.009) 6.863 5.445 ( -3.305 -2.991 0.297) 4.467 5.499 ( -3.778 -3.079 -1.124) 5.002 6.927 ( -1.183 3.571 1.574) 4.078 6.980 ( -1.599 -1.079 -0.763) 2.074 7.158 ( -5.583 3.592 1.795) 6.877 7.228 ( -6.926 -2.617 -1.282) 7.514 8.012 ( 2.460 0.396 0.198) 2.500 8.019 ( 2.390 -0.303 -0.147) 2.413 8.211 ( -1.371 0.433 0.126) 1.443 8.233 ( -1.320 -1.653 -0.816) 2.268 8.671 ( -3.864 4.161 0.449) 5.696 8.721 ( -2.566 1.683 -1.868) 3.593 8.761 ( -4.804 -1.386 0.130) 5.001 8.763 ( -4.781 -1.364 -0.016) 4.972 9.380 ( 4.937 3.877 1.416) 6.435 9.433 ( 5.355 -0.699 -0.992) 5.491 9.506 ( -1.747 3.330 0.640) 3.814 9.537 ( -1.145 0.800 -0.824) 1.622 9.584 ( -0.841 -1.186 0.346) 1.494 9.599 ( -1.128 -1.074 0.196) 1.570 9.694 ( -0.771 -0.028 0.546) 0.945 9.719 ( -0.892 -1.862 -0.513) 2.127 ======================= Grid point 174 (69/105) ======================= q-point: ( 0.38 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 1.064 1.442 1.327) 2.230 1.690 ( -0.361 3.091 0.204) 3.119 1.707 ( 0.922 -2.920 -0.503) 3.103 1.754 ( -1.221 -2.599 -3.087) 4.216 2.061 ( 1.359 1.999 2.600) 3.550 2.100 ( 0.412 -1.633 0.610) 1.791 2.153 ( -1.330 2.245 0.280) 2.625 2.187 ( 2.169 4.921 -0.962) 5.463 2.223 ( -4.783 -2.399 1.074) 5.457 2.273 ( -3.340 1.576 0.181) 3.698 2.309 ( -1.850 -1.386 -1.247) 2.627 2.339 ( -1.776 -6.909 -2.824) 7.673 2.589 ( -1.966 0.880 0.991) 2.371 2.634 ( -1.938 -3.115 -1.032) 3.811 2.681 ( -5.998 1.347 0.355) 6.158 2.700 ( -6.568 -0.378 -0.591) 6.605 3.735 ( 3.254 4.209 2.080) 5.712 3.787 ( 0.558 2.531 2.408) 3.538 3.824 ( 3.036 -3.779 -0.902) 4.931 3.870 ( 0.757 -4.820 0.374) 4.893 4.469 ( 6.184 6.468 0.501) 8.962 4.534 ( 5.356 0.483 -2.414) 5.895 4.615 ( -0.077 3.538 0.985) 3.673 4.647 ( 0.493 0.807 -0.552) 1.095 5.207 ( -1.638 9.991 2.062) 10.332 5.271 ( -4.531 8.265 0.070) 9.426 5.387 ( -1.950 -6.102 -0.964) 6.478 5.420 ( -3.369 -5.045 -1.442) 6.236 6.913 ( 0.126 3.642 1.225) 3.845 6.960 ( -0.208 0.025 -1.028) 1.050 7.042 ( -4.957 2.090 1.783) 5.667 7.093 ( -5.627 -1.857 -0.634) 5.959 8.069 ( 2.933 0.227 0.123) 2.945 8.077 ( 3.071 -0.590 -0.256) 3.138 8.178 ( -1.929 0.310 0.135) 1.958 8.196 ( -2.220 -1.448 -0.659) 2.731 8.612 ( -1.481 2.879 0.889) 3.357 8.664 ( -2.836 1.216 -1.085) 3.271 8.672 ( -2.826 -2.318 -0.138) 3.658 8.686 ( -2.972 -0.565 -1.091) 3.215 9.449 ( 1.481 5.501 1.356) 5.856 9.477 ( -0.685 4.852 1.200) 5.045 9.523 ( 1.532 1.651 -1.522) 2.718 9.535 ( 1.483 -2.166 -0.537) 2.679 9.576 ( 0.472 -1.767 0.753) 1.978 9.593 ( 1.164 -1.899 -0.422) 2.267 9.668 ( -1.654 -0.423 0.483) 1.774 9.689 ( -1.930 -1.735 -0.434) 2.631 ======================= Grid point 175 (70/105) ======================= q-point: (-0.50 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( -0.852 1.850 0.685) 2.149 1.678 ( 0.852 1.850 0.685) 2.149 1.729 ( -1.184 -2.777 -1.490) 3.366 1.729 ( 1.184 -2.777 -1.490) 3.366 2.101 ( -2.086 1.647 0.896) 2.805 2.101 ( 2.086 1.647 0.896) 2.805 2.140 ( -2.208 -0.646 0.262) 2.316 2.140 ( 2.208 -0.646 0.262) 2.316 2.228 ( -1.291 2.205 0.423) 2.590 2.228 ( 1.291 2.205 0.423) 2.590 2.307 ( -1.294 -3.731 -1.465) 4.212 2.307 ( 1.294 -3.731 -1.465) 4.212 2.592 ( -2.388 0.652 0.297) 2.493 2.592 ( 2.388 0.652 0.297) 2.493 2.619 ( -0.984 -2.011 -0.939) 2.428 2.619 ( 0.984 -2.011 -0.939) 2.428 3.780 ( -1.186 3.703 2.567) 4.659 3.780 ( 1.186 3.703 2.567) 4.659 3.868 ( -1.061 -4.669 -0.717) 4.841 3.868 ( 1.061 -4.669 -0.717) 4.841 4.567 ( -2.971 5.836 0.278) 6.554 4.567 ( 2.971 5.836 0.278) 6.554 4.629 ( -2.115 -0.086 -0.921) 2.309 4.629 ( 2.115 -0.086 -0.921) 2.309 5.205 ( -1.587 9.623 1.354) 9.847 5.205 ( 1.587 9.623 1.354) 9.847 5.374 ( -0.846 -6.365 -1.421) 6.577 5.374 ( 0.846 -6.365 -1.421) 6.577 6.939 ( -2.226 4.179 0.529) 4.764 6.939 ( 2.226 4.179 0.529) 4.764 7.007 ( -2.282 -2.164 0.136) 3.147 7.007 ( 2.282 -2.164 0.136) 3.147 8.129 ( -2.696 0.183 0.089) 2.704 8.129 ( 2.696 0.183 0.089) 2.704 8.142 ( -2.939 -1.038 -0.425) 3.146 8.142 ( 2.939 -1.038 -0.425) 3.146 8.613 ( -1.552 1.840 0.167) 2.413 8.613 ( 1.552 1.840 0.167) 2.413 8.649 ( -0.488 -1.533 -0.876) 1.832 8.649 ( 0.488 -1.533 -0.876) 1.832 9.465 ( -0.532 5.434 1.389) 5.633 9.465 ( 0.532 5.434 1.389) 5.633 9.538 ( -0.570 -0.705 -1.039) 1.379 9.538 ( 0.570 -0.705 -1.039) 1.379 9.619 ( -1.827 -0.304 0.065) 1.853 9.619 ( 1.827 -0.304 0.065) 1.853 9.644 ( -1.807 -2.258 0.013) 2.892 9.644 ( 1.807 -2.258 0.013) 2.892 ======================= Grid point 234 (71/105) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 0.000 0.000 -11.746) 11.746 0.692 ( 0.000 0.000 11.746) 11.746 0.795 ( 0.000 0.000 -20.232) 20.232 0.795 ( 0.000 0.000 20.232) 20.232 1.125 ( 0.000 0.000 -0.718) 0.718 1.125 ( 0.000 0.000 0.718) 0.718 1.419 ( 0.000 0.000 -30.516) 30.516 1.419 ( 0.000 0.000 30.516) 30.516 1.761 ( 0.000 0.000 -9.035) 9.035 1.761 ( 0.000 0.000 9.035) 9.035 2.031 ( 0.000 0.000 -5.756) 5.756 2.031 ( 0.000 0.000 5.756) 5.756 2.168 ( 0.000 0.000 -16.053) 16.053 2.168 ( 0.000 0.000 16.053) 16.053 2.323 ( 0.000 0.000 -12.322) 12.322 2.323 ( 0.000 0.000 12.322) 12.322 3.163 ( 0.000 0.000 -0.388) 0.388 3.163 ( 0.000 0.000 0.388) 0.388 3.987 ( 0.000 0.000 -0.349) 0.349 3.987 ( 0.000 0.000 0.349) 0.349 4.291 ( 0.000 0.000 -9.647) 9.647 4.291 ( 0.000 0.000 9.647) 9.647 4.705 ( 0.000 0.000 -0.217) 0.217 4.705 ( 0.000 0.000 0.217) 0.217 5.277 ( 0.000 0.000 -1.252) 1.252 5.277 ( 0.000 0.000 1.252) 1.252 5.799 ( 0.000 0.000 -7.353) 7.353 5.799 ( 0.000 0.000 7.353) 7.353 6.191 ( 0.000 0.000 -7.976) 7.976 6.191 ( 0.000 0.000 7.976) 7.976 6.542 ( 0.000 0.000 -15.151) 15.151 6.542 ( 0.000 0.000 15.151) 15.151 7.632 ( 0.000 0.000 -4.101) 4.101 7.632 ( 0.000 0.000 4.101) 4.101 7.926 ( 0.000 0.000 -4.387) 4.387 7.926 ( 0.000 0.000 4.387) 4.387 8.020 ( 0.000 0.000 -0.865) 0.865 8.020 ( 0.000 0.000 0.865) 0.865 8.620 ( 0.000 0.000 -2.550) 2.550 8.620 ( 0.000 0.000 2.550) 2.550 9.422 ( 0.000 0.000 -3.779) 3.779 9.422 ( 0.000 0.000 3.779) 3.779 9.501 ( 0.000 0.000 -4.730) 4.730 9.501 ( 0.000 0.000 4.730) 4.730 9.771 ( 0.000 0.000 -1.228) 1.228 9.771 ( 0.000 0.000 1.228) 1.228 10.239 ( 0.000 0.000 -1.983) 1.983 10.239 ( 0.000 0.000 1.983) 1.983 ======================= Grid point 236 (72/105) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 8.877 0.000 -8.907) 12.576 0.797 ( 8.877 0.000 8.907) 12.576 1.011 ( 16.246 0.000 -14.358) 21.682 1.011 ( 16.246 0.000 14.358) 21.682 1.151 ( 2.397 0.000 -1.106) 2.640 1.151 ( 2.397 0.000 1.106) 2.640 1.564 ( 13.663 0.000 -23.660) 27.322 1.564 ( 13.663 0.000 23.660) 27.322 1.791 ( 2.789 0.000 -8.664) 9.101 1.791 ( 2.789 0.000 8.664) 9.101 2.044 ( 1.203 0.000 -5.678) 5.804 2.044 ( 1.203 0.000 5.678) 5.804 2.132 ( -3.201 0.000 -8.626) 9.201 2.132 ( -3.201 0.000 8.626) 9.201 2.344 ( 2.093 0.000 -12.224) 12.402 2.344 ( 2.093 0.000 12.224) 12.402 3.057 ( -8.428 0.000 -3.821) 9.254 3.057 ( -8.428 0.000 3.821) 9.254 4.035 ( 3.069 0.000 -3.791) 4.878 4.035 ( 3.069 0.000 3.791) 4.878 4.327 ( 3.330 0.000 -9.639) 10.198 4.327 ( 3.330 0.000 9.639) 10.198 4.702 ( -0.200 0.000 -0.732) 0.759 4.702 ( -0.200 0.000 0.732) 0.759 5.276 ( 0.227 0.000 -0.370) 0.434 5.276 ( 0.227 0.000 0.370) 0.434 5.707 ( -6.424 0.000 -4.256) 7.706 5.707 ( -6.424 0.000 4.256) 7.706 6.201 ( 0.954 0.000 -8.062) 8.119 6.201 ( 0.954 0.000 8.062) 8.119 6.528 ( -1.264 0.000 -14.719) 14.773 6.528 ( -1.264 0.000 14.719) 14.773 7.607 ( -2.119 0.000 -3.806) 4.356 7.607 ( -2.119 0.000 3.806) 4.356 8.014 ( 6.324 0.000 -0.224) 6.328 8.014 ( 6.324 0.000 0.224) 6.328 8.044 ( 2.070 0.000 -0.669) 2.175 8.044 ( 2.070 0.000 0.669) 2.175 8.605 ( -1.422 0.000 -2.585) 2.950 8.605 ( -1.422 0.000 2.585) 2.950 9.415 ( 0.444 0.000 -2.566) 2.604 9.415 ( 0.444 0.000 2.566) 2.604 9.537 ( 0.806 0.000 -1.950) 2.110 9.537 ( 0.806 0.000 1.950) 2.110 9.796 ( 2.529 0.000 -1.248) 2.820 9.796 ( 2.529 0.000 1.248) 2.820 10.221 ( -1.386 0.000 -2.400) 2.772 10.221 ( -1.386 0.000 2.400) 2.772 ======================= Grid point 238 (73/105) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 9.473 0.000 -4.227) 10.374 1.000 ( 9.473 0.000 4.227) 10.374 1.216 ( 3.562 0.000 -1.889) 4.032 1.216 ( 3.562 0.000 1.889) 4.032 1.336 ( 14.293 0.000 -13.100) 19.388 1.336 ( 14.293 0.000 13.100) 19.388 1.866 ( 4.039 0.000 -7.563) 8.574 1.866 ( 4.039 0.000 7.563) 8.574 1.899 ( 14.362 0.000 -4.835) 15.154 1.899 ( 14.362 0.000 4.835) 15.154 2.058 ( -3.111 0.000 -1.670) 3.531 2.058 ( -3.111 0.000 1.670) 3.531 2.074 ( 1.495 0.000 -5.314) 5.520 2.074 ( 1.495 0.000 5.314) 5.520 2.401 ( 2.416 0.000 -9.882) 10.173 2.401 ( 2.416 0.000 9.882) 10.173 2.913 ( -2.312 0.000 -10.150) 10.410 2.913 ( -2.312 0.000 10.150) 10.410 4.052 ( -2.397 0.000 -5.216) 5.741 4.052 ( -2.397 0.000 5.216) 5.741 4.421 ( 5.442 0.000 -10.233) 11.590 4.421 ( 5.442 0.000 10.233) 11.590 4.703 ( 0.267 0.000 -3.422) 3.433 4.703 ( 0.267 0.000 3.422) 3.433 5.297 ( 1.708 0.000 -1.233) 2.106 5.297 ( 1.708 0.000 1.233) 2.106 5.591 ( -4.557 0.000 -1.924) 4.946 5.591 ( -4.557 0.000 1.924) 4.946 6.229 ( 1.701 0.000 -8.120) 8.296 6.229 ( 1.701 0.000 8.120) 8.296 6.493 ( -2.087 0.000 -13.269) 13.432 6.493 ( -2.087 0.000 13.269) 13.432 7.556 ( -2.568 0.000 -3.039) 3.978 7.556 ( -2.568 0.000 3.039) 3.978 8.094 ( 2.448 0.000 -0.370) 2.475 8.094 ( 2.448 0.000 0.370) 2.475 8.138 ( 5.493 0.000 -1.527) 5.701 8.138 ( 5.493 0.000 1.527) 5.701 8.560 ( -3.038 0.000 -1.685) 3.474 8.560 ( -3.038 0.000 1.685) 3.474 9.434 ( 0.809 0.000 -3.867) 3.951 9.434 ( 0.809 0.000 3.867) 3.951 9.515 ( -2.106 0.000 -2.542) 3.301 9.515 ( -2.106 0.000 2.542) 3.301 9.856 ( 2.833 0.000 -2.640) 3.872 9.856 ( 2.833 0.000 2.640) 3.872 10.192 ( -1.394 0.000 -3.280) 3.564 10.192 ( -1.394 0.000 3.280) 3.564 ======================= Grid point 240 (74/105) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 5.153 0.000 -0.858) 5.224 1.157 ( 5.153 0.000 0.858) 5.224 1.287 ( 2.875 0.000 -1.961) 3.480 1.287 ( 2.875 0.000 1.961) 3.480 1.602 ( 11.139 0.000 -12.588) 16.809 1.602 ( 11.139 0.000 12.588) 16.809 1.943 ( 3.061 0.000 -5.163) 6.002 1.943 ( 3.061 0.000 5.163) 6.002 1.960 ( -3.645 0.000 -7.267) 8.130 1.960 ( -3.645 0.000 7.267) 8.130 2.099 ( 0.795 0.000 -3.935) 4.014 2.099 ( 0.795 0.000 3.935) 4.014 2.111 ( 4.021 0.000 -1.394) 4.255 2.111 ( 4.021 0.000 1.394) 4.255 2.374 ( -4.476 0.000 -1.707) 4.791 2.374 ( -4.476 0.000 1.707) 4.791 3.061 ( 14.227 0.000 -13.736) 19.776 3.061 ( 14.227 0.000 13.736) 19.776 3.931 ( -8.497 0.000 -4.962) 9.839 3.931 ( -8.497 0.000 4.962) 9.839 4.540 ( 5.550 0.000 -10.026) 11.459 4.540 ( 5.550 0.000 10.026) 11.459 4.702 ( -0.679 0.000 -6.144) 6.182 4.702 ( -0.679 0.000 6.144) 6.182 5.337 ( 1.890 0.000 -1.678) 2.527 5.337 ( 1.890 0.000 1.678) 2.527 5.515 ( -2.762 0.000 -0.348) 2.784 5.515 ( -2.762 0.000 0.348) 2.784 6.267 ( 1.774 0.000 -6.907) 7.131 6.267 ( 1.774 0.000 6.907) 7.131 6.448 ( -2.005 0.000 -9.728) 9.932 6.448 ( -2.005 0.000 9.728) 9.932 7.510 ( -1.655 0.000 -1.747) 2.406 7.510 ( -1.655 0.000 1.747) 2.406 8.137 ( 1.530 0.000 -0.158) 1.538 8.137 ( 1.530 0.000 0.158) 1.538 8.249 ( 5.360 0.000 -1.119) 5.475 8.249 ( 5.360 0.000 1.119) 5.475 8.479 ( -4.646 0.000 -0.511) 4.674 8.479 ( -4.646 0.000 0.511) 4.674 9.436 ( -0.396 0.000 -4.104) 4.123 9.436 ( -0.396 0.000 4.104) 4.123 9.478 ( -1.255 0.000 -4.737) 4.900 9.478 ( -1.255 0.000 4.737) 4.900 9.912 ( 2.425 0.000 -3.395) 4.172 9.912 ( 2.425 0.000 3.395) 4.172 10.162 ( -1.451 0.000 -3.442) 3.735 10.162 ( -1.451 0.000 3.442) 3.735 ======================= Grid point 242 (75/105) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 0.000 0.000 0.000) 0.000 1.210 ( 0.000 0.000 0.000) 0.000 1.320 ( -0.000 0.000 0.000) 0.000 1.320 ( 0.000 0.000 0.000) 0.000 1.752 ( 0.000 0.000 -0.000) 0.000 1.752 ( 0.000 0.000 0.000) 0.000 1.895 ( 0.000 0.000 -0.000) 0.000 1.895 ( -0.000 0.000 0.000) 0.000 1.978 ( 0.000 0.000 -0.000) 0.000 1.978 ( 0.000 0.000 -0.000) 0.000 2.107 ( 0.000 0.000 0.000) 0.000 2.107 ( 0.000 0.000 0.000) 0.000 2.150 ( 0.000 0.000 0.000) 0.000 2.150 ( 0.000 0.000 0.000) 0.000 2.308 ( 0.000 0.000 -0.000) 0.000 2.308 ( 0.000 0.000 0.000) 0.000 3.274 ( 0.000 0.000 0.000) 0.000 3.274 ( 0.000 0.000 0.000) 0.000 3.795 ( 0.000 0.000 0.000) 0.000 3.795 ( 0.000 0.000 0.000) 0.000 4.618 ( 0.000 0.000 -0.000) 0.000 4.618 ( 0.000 0.000 0.000) 0.000 4.679 ( 0.000 0.000 -0.000) 0.000 4.679 ( 0.000 0.000 0.000) 0.000 5.361 ( 0.000 0.000 -0.000) 0.000 5.361 ( 0.000 0.000 0.000) 0.000 5.483 ( 0.000 0.000 -0.000) 0.000 5.483 ( 0.000 0.000 0.000) 0.000 6.289 ( 0.000 0.000 -0.000) 0.000 6.289 ( -0.000 0.000 0.000) 0.000 6.423 ( -0.000 0.000 -0.000) 0.000 6.423 ( 0.000 0.000 0.000) 0.000 7.492 ( 0.000 0.000 -0.000) 0.000 7.492 ( 0.000 0.000 0.000) 0.000 8.153 ( 0.000 0.000 0.000) 0.000 8.153 ( 0.000 0.000 0.000) 0.000 8.344 ( -0.000 0.000 0.000) 0.000 8.344 ( 0.000 0.000 0.000) 0.000 8.390 ( -0.000 0.000 0.000) 0.000 8.390 ( 0.000 0.000 0.000) 0.000 9.431 ( 0.000 0.000 -0.000) 0.000 9.431 ( 0.000 0.000 -0.000) 0.000 9.464 ( 0.000 0.000 0.000) 0.000 9.464 ( -0.000 0.000 0.000) 0.000 9.942 ( 0.000 0.000 -0.000) 0.000 9.942 ( 0.000 0.000 0.000) 0.000 10.143 ( 0.000 0.000 0.000) 0.000 10.143 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 252 (76/105) ======================= q-point: ( 0.00 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 0.000 11.320 -0.114) 11.321 0.858 ( 0.000 11.320 0.114) 11.321 0.946 ( 0.000 10.647 -1.950) 10.824 0.946 ( 0.000 10.647 1.950) 10.824 1.336 ( 0.000 16.945 -0.480) 16.951 1.336 ( 0.000 16.945 0.480) 16.951 1.555 ( 0.000 16.702 -16.304) 23.341 1.555 ( 0.000 16.702 16.304) 23.341 1.970 ( 0.000 2.061 -6.266) 6.596 1.970 ( 0.000 2.061 6.266) 6.596 2.070 ( 0.000 14.860 -2.450) 15.061 2.070 ( 0.000 14.860 2.450) 15.061 2.222 ( 0.000 2.683 -9.474) 9.847 2.222 ( 0.000 2.683 9.474) 9.847 2.393 ( 0.000 6.493 -14.992) 16.338 2.393 ( 0.000 6.493 14.992) 16.338 3.165 ( 0.000 0.435 -0.867) 0.970 3.165 ( 0.000 0.435 0.867) 0.970 3.976 ( 0.000 -0.760 -0.719) 1.046 3.976 ( 0.000 -0.760 0.719) 1.046 4.278 ( 0.000 -1.325 -9.745) 9.835 4.278 ( 0.000 -1.325 9.745) 9.835 4.655 ( 0.000 -4.710 -0.157) 4.713 4.655 ( 0.000 -4.710 0.157) 4.713 5.235 ( 0.000 -3.002 -2.108) 3.668 5.235 ( 0.000 -3.002 2.108) 3.668 5.407 ( 0.000 -17.930 -1.157) 17.967 5.407 ( 0.000 -17.930 1.157) 17.967 6.468 ( 0.000 10.507 -6.792) 12.511 6.468 ( 0.000 10.507 6.792) 12.511 7.016 ( 0.000 32.408 -8.743) 33.566 7.016 ( 0.000 32.408 8.743) 33.566 7.664 ( 0.000 3.540 -3.838) 5.222 7.664 ( 0.000 3.540 3.838) 5.222 7.926 ( 0.000 0.095 -3.866) 3.867 7.926 ( 0.000 0.095 3.866) 3.867 8.059 ( 0.000 3.414 -0.071) 3.414 8.059 ( 0.000 3.414 0.071) 3.414 8.626 ( 0.000 0.662 -2.331) 2.424 8.626 ( 0.000 0.662 2.331) 2.424 9.424 ( 0.000 -0.420 -4.123) 4.145 9.424 ( 0.000 -0.420 4.123) 4.145 9.452 ( 0.000 -3.662 -3.414) 5.007 9.452 ( 0.000 -3.662 3.414) 5.007 9.748 ( 0.000 -2.050 -1.853) 2.763 9.748 ( 0.000 -2.050 1.853) 2.763 10.192 ( 0.000 -4.321 -1.614) 4.613 10.192 ( 0.000 -4.321 1.614) 4.613 ======================= Grid point 254 (77/105) ======================= q-point: ( 0.12 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 9.773 10.683 -7.677) 16.388 0.981 ( 9.773 10.683 7.677) 16.388 1.087 ( 11.394 8.299 -7.287) 15.868 1.087 ( 11.394 8.299 7.287) 15.868 1.367 ( 2.879 17.197 -0.735) 17.452 1.367 ( 2.879 17.197 0.735) 17.452 1.653 ( 9.491 12.955 -12.152) 20.139 1.653 ( 9.491 12.955 12.152) 20.139 1.977 ( 0.485 1.650 -6.302) 6.533 1.977 ( 0.485 1.650 6.302) 6.533 2.065 ( -0.110 13.322 -3.506) 13.776 2.065 ( -0.110 13.322 3.506) 13.776 2.199 ( -1.459 3.664 -5.599) 6.848 2.199 ( -1.459 3.664 5.599) 6.848 2.409 ( 1.471 5.872 -14.055) 15.303 2.409 ( 1.471 5.872 14.055) 15.303 3.068 ( -7.638 1.360 -4.214) 8.829 3.068 ( -7.638 1.360 4.214) 8.829 4.021 ( 2.887 -1.097 -3.683) 4.807 4.021 ( 2.887 -1.097 3.683) 4.807 4.313 ( 3.160 -1.508 -9.478) 10.104 4.313 ( 3.160 -1.508 9.478) 10.104 4.652 ( -0.132 -4.642 -0.788) 4.710 4.652 ( -0.132 -4.642 0.788) 4.710 5.237 ( 0.454 -2.975 -2.316) 3.798 5.237 ( 0.454 -2.975 2.316) 3.798 5.411 ( 0.112 -16.077 -1.023) 16.110 5.411 ( 0.112 -16.077 1.023) 16.110 6.456 ( -1.070 11.405 -6.669) 13.255 6.456 ( -1.070 11.405 6.669) 13.255 6.860 ( -10.935 26.397 -2.993) 28.729 6.860 ( -10.935 26.397 2.993) 28.729 7.648 ( -1.487 4.257 -3.479) 5.695 7.648 ( -1.487 4.257 3.479) 5.695 8.010 ( 5.836 -0.196 -0.332) 5.849 8.010 ( 5.836 -0.196 0.332) 5.849 8.079 ( 1.786 2.988 -0.119) 3.484 8.079 ( 1.786 2.988 0.119) 3.484 8.609 ( -1.610 0.433 -2.369) 2.897 8.609 ( -1.610 0.433 2.369) 2.897 9.399 ( 0.071 -1.691 -2.865) 3.328 9.399 ( 0.071 -1.691 2.865) 3.328 9.512 ( 1.769 -1.923 -1.193) 2.872 9.512 ( 1.769 -1.923 1.193) 2.872 9.766 ( 2.007 -2.706 -1.643) 3.748 9.766 ( 2.007 -2.706 1.643) 3.748 10.178 ( -1.190 -4.083 -2.052) 4.722 10.178 ( -1.190 -4.083 2.052) 4.722 ======================= Grid point 256 (78/105) ======================= q-point: ( 0.25 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 10.529 13.349 -4.963) 17.711 1.205 ( 10.529 13.349 4.963) 17.711 1.309 ( 8.893 5.904 -7.545) 13.072 1.309 ( 8.893 5.904 7.545) 13.072 1.453 ( 5.450 15.206 -3.927) 16.624 1.453 ( 5.450 15.206 3.927) 16.624 1.895 ( 10.702 4.600 -0.970) 11.689 1.895 ( 10.702 4.600 0.970) 11.689 1.971 ( -1.140 -0.875 -3.884) 4.141 1.971 ( -1.140 -0.875 3.884) 4.141 2.075 ( 1.136 10.196 -3.147) 10.730 2.075 ( 1.136 10.196 3.147) 10.730 2.198 ( 1.484 6.756 -2.783) 7.455 2.198 ( 1.484 6.756 2.783) 7.455 2.437 ( 0.188 3.128 -8.803) 9.345 2.437 ( 0.188 3.128 8.803) 9.345 2.951 ( -0.450 4.288 -11.515) 12.295 2.951 ( -0.450 4.288 11.515) 12.295 4.036 ( -2.342 -1.351 -5.378) 6.020 4.036 ( -2.342 -1.351 5.378) 6.020 4.401 ( 5.045 -1.981 -9.533) 10.966 4.401 ( 5.045 -1.981 9.533) 10.966 4.656 ( 0.572 -4.294 -3.226) 5.401 4.656 ( 0.572 -4.294 3.226) 5.401 5.259 ( 1.667 -3.234 -2.416) 4.367 5.259 ( 1.667 -3.234 2.416) 4.367 5.403 ( -0.889 -12.789 -0.293) 12.824 5.403 ( -0.889 -12.789 0.293) 12.824 6.434 ( -0.759 12.472 -6.800) 14.225 6.434 ( -0.759 12.472 6.800) 14.225 6.667 ( -7.198 16.099 -9.640) 20.098 6.667 ( -7.198 16.099 9.640) 20.098 7.610 ( -1.891 5.608 -2.650) 6.484 7.610 ( -1.891 5.608 2.650) 6.484 8.112 ( 3.005 1.426 -0.277) 3.338 8.112 ( 3.005 1.426 0.277) 3.338 8.135 ( 4.419 0.163 -1.257) 4.597 8.135 ( 4.419 0.163 1.257) 4.597 8.559 ( -3.265 -0.032 -1.597) 3.634 8.559 ( -3.265 -0.032 1.597) 3.634 9.413 ( 0.669 -1.935 -3.711) 4.238 9.413 ( 0.669 -1.935 3.711) 4.238 9.503 ( -1.838 -1.062 -2.548) 3.317 9.503 ( -1.838 -1.062 2.548) 3.317 9.821 ( 2.842 -3.239 -2.729) 5.101 9.821 ( 2.842 -3.239 2.729) 5.101 10.152 ( -1.250 -3.763 -3.050) 5.003 10.152 ( -1.250 -3.763 3.050) 5.003 ======================= Grid point 258 (79/105) ======================= q-point: ( 0.38 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 5.208 17.089 -0.699) 17.878 1.373 ( 5.208 17.089 0.699) 17.878 1.446 ( 4.207 11.491 -3.114) 12.627 1.446 ( 4.207 11.491 3.114) 12.627 1.600 ( 8.353 4.139 -8.836) 12.844 1.600 ( 8.353 4.139 8.836) 12.844 1.900 ( -4.011 -2.203 -6.964) 8.333 1.900 ( -4.011 -2.203 6.964) 8.333 2.074 ( 5.314 5.280 -0.758) 7.529 2.074 ( 5.314 5.280 0.758) 7.529 2.107 ( 1.797 5.245 -2.143) 5.944 2.107 ( 1.797 5.245 2.143) 5.944 2.224 ( 0.308 6.939 -2.908) 7.530 2.224 ( 0.308 6.939 2.908) 7.530 2.377 ( -5.025 0.444 -1.918) 5.396 2.377 ( -5.025 0.444 1.918) 5.396 3.111 ( 13.322 5.153 -13.534) 19.677 3.111 ( 13.322 5.153 13.534) 19.677 3.920 ( -8.113 -0.884 -5.152) 9.651 3.920 ( -8.113 -0.884 5.152) 9.651 4.508 ( 4.826 -3.073 -8.764) 10.466 4.508 ( 4.826 -3.073 8.764) 10.466 4.665 ( -0.080 -3.454 -5.203) 6.246 4.665 ( -0.080 -3.454 5.203) 6.246 5.299 ( 1.948 -3.926 -1.941) 4.793 5.299 ( 1.948 -3.926 1.941) 4.793 5.377 ( -1.549 -10.252 -0.539) 10.382 5.377 ( -1.549 -10.252 0.539) 10.382 6.432 ( 0.591 12.295 -7.023) 14.172 6.432 ( 0.591 12.295 7.023) 14.172 6.553 ( -4.010 9.674 -9.518) 14.151 6.553 ( -4.010 9.674 9.518) 14.151 7.576 ( -1.236 6.751 -1.454) 7.015 7.576 ( -1.236 6.751 1.454) 7.015 8.154 ( 1.395 1.857 -0.258) 2.337 8.154 ( 1.395 1.857 0.258) 2.337 8.241 ( 5.396 -0.737 -0.936) 5.526 8.241 ( 5.396 -0.737 0.936) 5.526 8.474 ( -4.832 -0.437 -0.644) 4.894 8.474 ( -4.832 -0.437 0.644) 4.894 9.415 ( -0.377 -2.001 -3.420) 3.980 9.415 ( -0.377 -2.001 3.420) 3.980 9.466 ( -1.336 -1.052 -4.003) 4.349 9.466 ( -1.336 -1.052 4.003) 4.349 9.877 ( 2.389 -3.265 -3.336) 5.244 9.877 ( 2.389 -3.265 3.336) 5.244 10.125 ( -1.294 -3.473 -3.227) 4.914 10.125 ( -1.294 -3.473 3.227) 4.914 ======================= Grid point 260 (80/105) ======================= q-point: (-0.50 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 0.000 17.392 -0.000) 17.392 1.426 ( 0.000 17.392 0.000) 17.392 1.488 ( -0.000 14.149 -0.000) 14.149 1.488 ( -0.000 14.149 0.000) 14.149 1.733 ( 0.000 0.225 -0.000) 0.225 1.733 ( 0.000 0.225 0.000) 0.225 1.821 ( -0.000 -2.165 -0.000) 2.165 1.821 ( -0.000 -2.165 0.000) 2.165 2.130 ( -0.000 9.294 -0.000) 9.294 2.130 ( -0.000 9.294 0.000) 9.294 2.134 ( 0.000 0.764 -0.000) 0.764 2.134 ( 0.000 0.764 -0.000) 0.764 2.225 ( 0.000 7.064 -0.000) 7.064 2.225 ( 0.000 7.064 0.000) 7.064 2.304 ( 0.000 -0.198 -0.000) 0.198 2.304 ( 0.000 -0.198 0.000) 0.198 3.309 ( 0.000 3.704 -0.000) 3.704 3.309 ( 0.000 3.704 0.000) 3.704 3.790 ( -0.000 -0.262 -0.000) 0.262 3.790 ( -0.000 -0.262 0.000) 0.262 4.570 ( 0.000 -4.364 -0.000) 4.364 4.570 ( 0.000 -4.364 0.000) 4.364 4.656 ( -0.000 -2.323 0.000) 2.323 4.656 ( 0.000 -2.323 0.000) 2.323 5.330 ( -0.000 -2.099 -0.000) 2.099 5.330 ( -0.000 -2.099 0.000) 2.099 5.349 ( 0.000 -11.523 -0.000) 11.523 5.349 ( 0.000 -11.523 0.000) 11.523 6.447 ( -0.000 13.223 -0.000) 13.223 6.447 ( 0.000 13.223 0.000) 13.223 6.504 ( -0.000 6.519 -0.000) 6.519 6.504 ( -0.000 6.519 0.000) 6.519 7.563 ( -0.000 7.193 -0.000) 7.193 7.563 ( -0.000 7.193 0.000) 7.193 8.169 ( 0.000 1.737 -0.000) 1.737 8.169 ( 0.000 1.737 0.000) 1.737 8.341 ( -0.000 -0.358 0.000) 0.358 8.341 ( 0.000 -0.358 0.000) 0.358 8.380 ( -0.000 -0.918 -0.000) 0.918 8.380 ( 0.000 -0.918 0.000) 0.918 9.409 ( 0.000 -1.997 -0.000) 1.997 9.409 ( 0.000 -1.997 -0.000) 1.997 9.452 ( 0.000 -1.158 0.000) 1.158 9.452 ( -0.000 -1.158 0.000) 1.158 9.906 ( 0.000 -3.349 0.000) 3.349 9.906 ( 0.000 -3.349 0.000) 3.349 10.108 ( 0.000 -3.283 -0.000) 3.283 10.108 ( 0.000 -3.283 0.000) 3.283 ======================= Grid point 270 (81/105) ======================= q-point: ( 0.00 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 0.000 10.282 -9.780) 14.190 1.085 ( 0.000 10.282 9.780) 14.190 1.194 ( 0.000 14.773 -10.278) 17.996 1.194 ( 0.000 14.773 10.278) 17.996 1.691 ( 0.000 13.697 -1.777) 13.812 1.691 ( 0.000 13.697 1.777) 13.812 1.974 ( 0.000 16.633 -6.491) 17.855 1.974 ( 0.000 16.633 6.491) 17.855 2.041 ( 0.000 12.137 -3.195) 12.550 2.041 ( 0.000 12.137 3.195) 12.550 2.264 ( 0.000 2.537 -6.233) 6.730 2.264 ( 0.000 2.537 6.233) 6.730 2.359 ( 0.000 10.789 -0.913) 10.828 2.359 ( 0.000 10.789 0.913) 10.828 2.532 ( 0.000 6.070 -10.602) 12.216 2.532 ( 0.000 6.070 10.602) 12.216 3.201 ( 0.000 3.601 -2.911) 4.630 3.201 ( 0.000 3.601 2.911) 4.630 3.962 ( 0.000 -0.827 -0.503) 0.968 3.962 ( 0.000 -0.827 0.503) 0.968 4.227 ( 0.000 -3.967 -8.798) 9.651 4.227 ( 0.000 -3.967 8.798) 9.651 4.528 ( 0.000 -7.132 -0.562) 7.154 4.528 ( 0.000 -7.132 0.562) 7.154 5.109 ( 0.000 -8.569 -4.637) 9.743 5.109 ( 0.000 -8.569 4.637) 9.743 5.233 ( 0.000 0.469 -7.191) 7.206 5.233 ( 0.000 0.469 7.191) 7.206 6.668 ( 0.000 8.729 -9.446) 12.861 6.668 ( 0.000 8.729 9.446) 12.861 7.423 ( 0.000 6.328 -12.293) 13.826 7.423 ( 0.000 6.328 12.293) 13.826 7.830 ( 0.000 11.918 -4.397) 12.703 7.830 ( 0.000 11.918 4.397) 12.703 7.941 ( 0.000 2.885 -3.711) 4.701 7.941 ( 0.000 2.885 3.711) 4.701 8.146 ( 0.000 4.975 -2.514) 5.574 8.146 ( 0.000 4.975 2.514) 5.574 8.652 ( 0.000 1.948 -1.210) 2.293 8.652 ( 0.000 1.948 1.210) 2.293 9.340 ( 0.000 -4.827 -3.202) 5.793 9.340 ( 0.000 -4.827 3.202) 5.793 9.448 ( 0.000 1.156 -2.546) 2.796 9.448 ( 0.000 1.156 2.546) 2.796 9.695 ( 0.000 -2.929 -2.341) 3.749 9.695 ( 0.000 -2.929 2.341) 3.749 10.077 ( 0.000 -6.553 -0.583) 6.579 10.077 ( 0.000 -6.553 0.583) 6.579 ======================= Grid point 272 (82/105) ======================= q-point: ( 0.12 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 6.976 8.827 -9.649) 14.821 1.162 ( 6.976 8.827 9.649) 14.821 1.310 ( 9.940 12.116 -8.354) 17.759 1.310 ( 9.940 12.116 8.354) 17.759 1.722 ( 2.716 13.177 -1.778) 13.571 1.722 ( 2.716 13.177 1.778) 13.571 1.972 ( 0.313 11.574 -3.186) 12.008 1.972 ( 0.313 11.574 3.186) 12.008 2.071 ( 1.351 13.325 -1.059) 13.435 2.071 ( 1.351 13.325 1.059) 13.435 2.257 ( -0.028 4.778 -4.693) 6.697 2.257 ( -0.028 4.778 4.693) 6.697 2.347 ( -0.629 10.326 -2.285) 10.595 2.347 ( -0.629 10.326 2.285) 10.595 2.531 ( -0.328 5.060 -8.914) 10.255 2.531 ( -0.328 5.060 8.914) 10.255 3.136 ( -4.495 5.922 -6.510) 9.882 3.136 ( -4.495 5.922 6.510) 9.882 3.997 ( 2.133 -1.467 -3.441) 4.306 3.997 ( 2.133 -1.467 3.441) 4.306 4.260 ( 3.094 -3.741 -7.962) 9.326 4.260 ( 3.094 -3.741 7.962) 9.326 4.527 ( 0.071 -7.043 -1.366) 7.175 4.527 ( 0.071 -7.043 1.366) 7.175 5.108 ( -0.078 -8.778 -4.424) 9.831 5.108 ( -0.078 -8.778 4.424) 9.831 5.246 ( 1.105 0.079 -6.940) 7.028 5.246 ( 1.105 0.079 6.940) 7.028 6.660 ( -0.726 8.611 -8.963) 12.450 6.660 ( -0.726 8.611 8.963) 12.450 7.259 ( -12.991 9.995 -6.617) 17.676 7.259 ( -12.991 9.995 6.617) 17.676 7.809 ( -0.862 11.075 -2.181) 11.321 7.809 ( -0.862 11.075 2.181) 11.321 8.014 ( 4.809 1.509 -1.696) 5.318 8.014 ( 4.809 1.509 1.696) 5.318 8.159 ( 1.144 4.789 -2.420) 5.487 8.159 ( 1.144 4.789 2.420) 5.487 8.627 ( -2.267 1.409 -1.319) 2.978 8.627 ( -2.267 1.409 1.319) 2.978 9.344 ( 0.706 -3.303 -3.012) 4.526 9.344 ( 0.706 -3.303 3.012) 4.526 9.485 ( 1.711 -0.467 -1.022) 2.047 9.485 ( 1.711 -0.467 1.022) 2.047 9.699 ( 0.854 -3.542 -2.423) 4.376 9.699 ( 0.854 -3.542 2.423) 4.376 10.067 ( -0.766 -6.271 -1.195) 6.430 10.067 ( -0.766 -6.271 1.195) 6.430 ======================= Grid point 274 (83/105) ======================= q-point: ( 0.25 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 9.848 5.627 -7.880) 13.811 1.345 ( 9.848 5.627 7.880) 13.811 1.541 ( 10.891 10.834 -4.408) 15.982 1.541 ( 10.891 10.834 4.408) 15.982 1.788 ( 3.090 10.705 -1.999) 11.320 1.788 ( 3.090 10.705 1.999) 11.320 1.976 ( -0.643 8.411 -2.804) 8.890 1.976 ( -0.643 8.411 2.804) 8.890 2.080 ( 0.773 7.872 -2.115) 8.188 2.080 ( 0.773 7.872 2.115) 8.188 2.269 ( 0.612 9.356 -1.587) 9.509 2.269 ( 0.612 9.356 1.587) 9.509 2.351 ( 0.748 7.723 -2.798) 8.248 2.351 ( 0.748 7.723 2.798) 8.248 2.495 ( -3.627 2.039 -4.804) 6.355 2.495 ( -3.627 2.039 4.804) 6.355 3.108 ( 3.590 11.035 -12.450) 17.019 3.108 ( 3.590 11.035 12.450) 17.019 4.002 ( -2.183 -2.013 -5.285) 6.062 4.002 ( -2.183 -2.013 5.285) 6.062 4.342 ( 4.354 -3.388 -6.760) 8.725 4.342 ( 4.354 -3.388 6.760) 8.725 4.539 ( 1.149 -6.884 -2.823) 7.529 4.539 ( 1.149 -6.884 2.823) 7.529 5.104 ( -0.305 -9.936 -3.815) 10.647 5.104 ( -0.305 -9.936 3.815) 10.647 5.273 ( 1.315 -0.157 -5.849) 5.997 5.273 ( 1.315 -0.157 5.849) 5.997 6.643 ( -0.816 8.163 -7.879) 11.375 6.643 ( -0.816 8.163 7.879) 11.375 6.987 ( -11.781 11.692 -0.658) 16.611 6.987 ( -11.781 11.692 0.658) 16.611 7.798 ( -0.304 12.289 -1.336) 12.366 7.798 ( -0.304 12.289 1.336) 12.366 8.114 ( 4.841 -0.139 -1.016) 4.948 8.114 ( 4.841 -0.139 1.016) 4.948 8.189 ( 1.625 4.410 -1.966) 5.094 8.189 ( 1.625 4.410 1.966) 5.094 8.562 ( -3.915 0.507 -1.004) 4.073 8.562 ( -3.915 0.507 1.004) 4.073 9.362 ( 0.591 -2.771 -2.621) 3.859 9.362 ( 0.591 -2.771 2.621) 3.859 9.480 ( -1.792 -1.045 -1.927) 2.831 9.480 ( -1.792 -1.045 1.927) 2.831 9.738 ( 2.570 -4.422 -3.048) 5.954 9.738 ( 2.570 -4.422 3.048) 5.954 10.050 ( -0.882 -5.804 -2.336) 6.318 10.050 ( -0.882 -5.804 2.336) 6.318 ======================= Grid point 276 (84/105) ======================= q-point: ( 0.38 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 8.638 3.306 -6.776) 11.466 1.543 ( 8.638 3.306 6.776) 11.466 1.714 ( 4.379 11.663 -2.925) 12.797 1.714 ( 4.379 11.663 2.925) 12.797 1.832 ( 1.729 5.757 -3.122) 6.773 1.832 ( 1.729 5.757 3.122) 6.773 1.950 ( -1.486 13.534 -2.590) 13.860 1.950 ( -1.486 13.534 2.590) 13.860 2.120 ( 2.587 2.339 -1.904) 3.974 2.120 ( 2.587 2.339 1.904) 3.974 2.287 ( 1.213 8.105 -1.131) 8.273 2.287 ( 1.213 8.105 1.131) 8.273 2.341 ( -2.252 4.783 -1.654) 5.539 2.341 ( -2.252 4.783 1.654) 5.539 2.405 ( -3.624 2.564 -2.276) 4.989 2.405 ( -3.624 2.564 2.276) 4.989 3.279 ( 11.028 11.087 -11.419) 19.363 3.279 ( 11.028 11.087 11.419) 19.363 3.904 ( -6.839 -0.693 -5.038) 8.522 3.904 ( -6.839 -0.693 5.038) 8.522 4.424 ( 3.217 -4.437 -5.144) 7.517 4.424 ( 3.217 -4.437 5.144) 7.517 4.566 ( 1.100 -6.242 -3.025) 7.023 4.566 ( 1.100 -6.242 3.025) 7.023 5.096 ( -0.436 -11.346 -2.273) 11.579 5.096 ( -0.436 -11.346 2.273) 11.579 5.296 ( 0.857 -0.052 -3.379) 3.486 5.296 ( 0.857 -0.052 3.379) 3.486 6.632 ( -0.112 7.055 -6.355) 9.496 6.632 ( -0.112 7.055 6.355) 9.496 6.794 ( -6.556 11.127 -3.823) 13.468 6.794 ( -6.556 11.127 3.823) 13.468 7.794 ( -0.133 13.949 -0.629) 13.964 7.794 ( -0.133 13.949 0.629) 13.964 8.205 ( 2.419 1.118 -1.048) 2.864 8.205 ( 2.419 1.118 1.048) 2.864 8.234 ( 4.190 2.261 -0.672) 4.808 8.234 ( 4.190 2.261 0.672) 4.808 8.466 ( -5.223 -0.029 -0.720) 5.272 8.466 ( -5.223 -0.029 0.720) 5.272 9.361 ( -0.470 -2.998 -1.655) 3.457 9.361 ( -0.470 -2.998 1.655) 3.457 9.440 ( -1.581 -1.335 -2.485) 3.233 9.440 ( -1.581 -1.335 2.485) 3.233 9.792 ( 2.279 -4.628 -3.171) 6.055 9.792 ( 2.279 -4.628 3.171) 6.055 10.030 ( -0.963 -5.435 -2.574) 6.090 10.030 ( -0.963 -5.435 2.574) 6.090 ======================= Grid point 278 (85/105) ======================= q-point: (-0.50 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -0.000 4.909 -0.000) 4.909 1.672 ( -0.000 4.909 0.000) 4.909 1.708 ( 0.000 2.951 -0.000) 2.951 1.708 ( 0.000 2.951 0.000) 2.951 1.889 ( 0.000 12.932 -0.000) 12.932 1.889 ( 0.000 12.932 0.000) 12.932 1.909 ( -0.000 12.122 -0.000) 12.122 1.909 ( -0.000 12.122 0.000) 12.122 2.163 ( 0.000 3.194 -0.000) 3.194 2.163 ( 0.000 3.194 0.000) 3.194 2.272 ( -0.000 2.799 -0.000) 2.799 2.272 ( -0.000 2.799 0.000) 2.799 2.337 ( -0.000 5.359 -0.000) 5.359 2.337 ( -0.000 5.359 0.000) 5.359 2.357 ( 0.000 5.196 -0.000) 5.196 2.357 ( 0.000 5.196 0.000) 5.196 3.441 ( 0.000 9.346 -0.000) 9.346 3.441 ( 0.000 9.346 0.000) 9.346 3.792 ( -0.000 0.445 -0.000) 0.445 3.792 ( -0.000 0.445 0.000) 0.445 4.461 ( 0.000 -5.456 -0.000) 5.456 4.461 ( 0.000 -5.456 0.000) 5.456 4.577 ( -0.000 -5.579 -0.000) 5.579 4.577 ( -0.000 -5.579 0.000) 5.579 5.090 ( -0.000 -11.920 0.000) 11.920 5.090 ( 0.000 -11.920 0.000) 11.920 5.306 ( 0.000 0.010 -0.000) 0.010 5.306 ( 0.000 0.010 0.000) 0.010 6.635 ( -0.000 5.500 -0.000) 5.500 6.635 ( -0.000 5.500 0.000) 5.500 6.722 ( 0.000 11.692 -0.000) 11.692 6.722 ( 0.000 11.692 0.000) 11.692 7.793 ( -0.000 14.642 -0.000) 14.642 7.793 ( -0.000 14.642 0.000) 14.642 8.223 ( 0.000 2.894 -0.000) 2.894 8.223 ( 0.000 2.894 0.000) 2.894 8.336 ( -0.000 0.582 0.000) 0.582 8.336 ( 0.000 0.582 0.000) 0.582 8.361 ( -0.000 -0.491 -0.000) 0.491 8.361 ( 0.000 -0.491 0.000) 0.491 9.354 ( 0.000 -3.184 -0.000) 3.184 9.354 ( 0.000 -3.184 0.000) 3.184 9.423 ( -0.000 -1.439 0.000) 1.439 9.423 ( 0.000 -1.439 0.000) 1.439 9.819 ( 0.000 -4.725 0.000) 4.725 9.819 ( 0.000 -4.725 0.000) 4.725 10.018 ( 0.000 -5.238 -0.000) 5.238 10.018 ( 0.000 -5.238 0.000) 5.238 ======================= Grid point 288 (86/105) ======================= q-point: ( 0.00 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 0.000 11.424 -3.305) 11.892 1.309 ( 0.000 11.424 3.305) 11.892 1.502 ( 0.000 14.239 -7.996) 16.331 1.502 ( 0.000 14.239 7.996) 16.331 1.831 ( 0.000 2.018 -3.780) 4.286 1.831 ( 0.000 2.018 3.780) 4.286 2.193 ( 0.000 8.307 -3.876) 9.167 2.193 ( 0.000 8.307 3.876) 9.167 2.275 ( 0.000 1.697 -5.795) 6.038 2.275 ( 0.000 1.697 5.795) 6.038 2.419 ( 0.000 12.426 -0.109) 12.427 2.419 ( 0.000 12.426 0.109) 12.427 2.557 ( 0.000 9.651 -2.370) 9.938 2.557 ( 0.000 9.651 2.370) 9.938 2.653 ( 0.000 6.948 -2.717) 7.460 2.653 ( 0.000 6.948 2.717) 7.460 3.320 ( 0.000 7.468 -3.227) 8.136 3.320 ( 0.000 7.468 3.227) 8.136 3.927 ( 0.000 -2.810 -0.321) 2.828 3.927 ( 0.000 -2.810 0.321) 2.828 4.120 ( 0.000 -5.974 -5.502) 8.122 4.120 ( 0.000 -5.974 5.502) 8.122 4.398 ( 0.000 -4.351 -1.503) 4.604 4.398 ( 0.000 -4.351 1.503) 4.604 5.024 ( 0.000 0.472 -8.921) 8.934 5.024 ( 0.000 0.472 8.921) 8.934 5.293 ( 0.000 4.705 -9.840) 10.907 5.293 ( 0.000 4.705 9.840) 10.907 6.808 ( 0.000 4.854 -7.865) 9.242 6.808 ( 0.000 4.854 7.865) 9.242 7.437 ( 0.000 -1.849 -9.522) 9.700 7.437 ( 0.000 -1.849 9.522) 9.700 7.921 ( 0.000 0.943 -0.684) 1.164 7.921 ( 0.000 0.943 0.684) 1.164 8.150 ( 0.000 10.402 -3.532) 10.986 8.150 ( 0.000 10.402 3.532) 10.986 8.271 ( 0.000 8.271 -3.331) 8.916 8.271 ( 0.000 8.271 3.331) 8.916 8.709 ( 0.000 3.637 -0.381) 3.657 8.709 ( 0.000 3.637 0.381) 3.657 9.264 ( 0.000 -2.409 -1.522) 2.849 9.264 ( 0.000 -2.409 1.522) 2.849 9.480 ( 0.000 1.908 -1.666) 2.533 9.480 ( 0.000 1.908 1.666) 2.533 9.634 ( 0.000 -2.800 -2.082) 3.489 9.634 ( 0.000 -2.800 2.082) 3.489 9.942 ( 0.000 -6.280 -0.537) 6.303 9.942 ( 0.000 -6.280 0.537) 6.303 ======================= Grid point 290 (87/105) ======================= q-point: ( 0.12 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 4.530 10.047 -3.397) 11.533 1.360 ( 4.530 10.047 3.397) 11.533 1.557 ( 5.323 11.507 -6.611) 14.299 1.557 ( 5.323 11.507 6.611) 14.299 1.841 ( 0.765 1.284 -2.644) 3.037 1.841 ( 0.765 1.284 2.644) 3.037 2.190 ( -0.360 7.989 -2.680) 8.434 2.190 ( -0.360 7.989 2.680) 8.434 2.256 ( -1.266 3.506 -3.997) 5.466 2.256 ( -1.266 3.506 3.997) 5.466 2.428 ( 0.232 8.687 -0.751) 8.722 2.428 ( 0.232 8.687 0.751) 8.722 2.550 ( -0.554 10.382 -2.113) 10.609 2.550 ( -0.554 10.382 2.113) 10.609 2.628 ( -2.508 5.736 -2.905) 6.901 2.628 ( -2.508 5.736 2.905) 6.901 3.311 ( 0.301 10.322 -5.430) 11.667 3.311 ( 0.301 10.322 5.430) 11.667 3.942 ( 0.850 -4.044 -2.667) 4.918 3.942 ( 0.850 -4.044 2.667) 4.918 4.170 ( 4.547 -4.721 -4.267) 7.821 4.170 ( 4.547 -4.721 4.267) 7.821 4.398 ( 0.075 -4.126 -1.828) 4.514 4.398 ( 0.075 -4.126 1.828) 4.514 5.011 ( -1.187 -0.227 -8.312) 8.400 5.011 ( -1.187 -0.227 8.312) 8.400 5.298 ( 0.519 4.319 -9.060) 10.050 5.298 ( 0.519 4.319 9.060) 10.050 6.797 ( -0.989 4.789 -7.350) 8.828 6.797 ( -0.989 4.789 7.350) 8.828 7.338 ( -8.645 0.363 -7.325) 11.337 7.338 ( -8.645 0.363 7.325) 11.337 7.942 ( 1.925 1.513 -0.768) 2.566 7.942 ( 1.925 1.513 0.768) 2.566 8.148 ( 0.236 8.837 -3.916) 9.668 8.148 ( 0.236 8.837 3.916) 9.668 8.286 ( 1.193 8.583 -3.421) 9.316 8.286 ( 1.193 8.583 3.421) 9.316 8.672 ( -3.193 3.120 -0.485) 4.490 8.672 ( -3.193 3.120 0.485) 4.490 9.287 ( 1.757 -1.864 -1.699) 3.074 9.287 ( 1.757 -1.864 1.699) 3.074 9.490 ( 0.163 0.806 -0.383) 0.907 9.490 ( 0.163 0.806 0.383) 0.907 9.629 ( 0.075 -3.062 -2.426) 3.907 9.629 ( 0.075 -3.062 2.426) 3.907 9.938 ( -0.310 -6.013 -0.387) 6.034 9.938 ( -0.310 -6.013 0.387) 6.034 ======================= Grid point 292 (88/105) ======================= q-point: ( 0.25 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 6.417 6.742 -3.229) 9.852 1.478 ( 6.417 6.742 3.229) 9.852 1.715 ( 9.264 6.718 -3.994) 12.120 1.715 ( 9.264 6.718 3.994) 12.120 1.849 ( -0.311 -0.115 -3.168) 3.186 1.849 ( -0.311 -0.115 3.168) 3.186 2.168 ( -1.466 3.311 -2.760) 4.553 2.168 ( -1.466 3.311 2.760) 4.553 2.251 ( 0.509 9.958 -0.729) 9.998 2.251 ( 0.509 9.958 0.729) 9.998 2.408 ( -2.046 2.649 -1.095) 3.522 2.408 ( -2.046 2.649 1.095) 3.522 2.526 ( -2.536 8.038 -0.139) 8.430 2.526 ( -2.536 8.038 0.139) 8.430 2.560 ( -2.897 6.736 -3.613) 8.174 2.560 ( -2.897 6.736 3.613) 8.174 3.373 ( 5.912 13.651 -6.882) 16.391 3.373 ( 5.912 13.651 6.882) 16.391 3.942 ( -1.150 -3.864 -3.338) 5.234 3.942 ( -1.150 -3.864 3.338) 5.234 4.280 ( 5.230 -3.170 -2.604) 6.647 4.280 ( 5.230 -3.170 2.604) 6.647 4.404 ( 0.518 -4.311 -2.288) 4.908 4.404 ( 0.518 -4.311 2.288) 4.908 4.977 ( -2.016 -1.916 -6.391) 6.970 4.977 ( -2.016 -1.916 6.391) 6.970 5.312 ( 0.717 3.418 -6.816) 7.658 5.312 ( 0.717 3.418 6.816) 7.658 6.770 ( -1.513 4.483 -6.071) 7.697 6.770 ( -1.513 4.483 6.071) 7.697 7.130 ( -10.088 3.569 -3.245) 11.182 7.130 ( -10.088 3.569 3.245) 11.182 7.994 ( 2.864 3.544 -1.103) 4.688 7.994 ( 2.864 3.544 1.103) 4.688 8.169 ( 1.693 5.712 -3.646) 6.985 8.169 ( 1.693 5.712 3.646) 6.985 8.314 ( 1.399 8.615 -2.778) 9.159 8.314 ( 1.399 8.615 2.778) 9.159 8.590 ( -4.483 2.527 -0.168) 5.149 8.590 ( -4.483 2.527 0.168) 5.149 9.314 ( 0.438 -1.563 -0.753) 1.790 9.314 ( 0.438 -1.563 0.753) 1.790 9.464 ( -2.240 -0.393 -1.768) 2.881 9.464 ( -2.240 -0.393 1.768) 2.881 9.655 ( 2.167 -3.424 -3.038) 5.064 9.655 ( 2.167 -3.424 3.038) 5.064 9.929 ( -0.532 -5.650 -1.222) 5.805 9.929 ( -0.532 -5.650 1.222) 5.805 ======================= Grid point 294 (89/105) ======================= q-point: ( 0.38 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 6.450 3.194 -3.164) 7.862 1.615 ( 6.450 3.194 3.164) 7.862 1.818 ( -2.352 1.078 -3.909) 4.687 1.818 ( -2.352 1.078 3.909) 4.687 1.908 ( 7.986 2.897 -1.229) 8.584 1.908 ( 7.986 2.897 1.229) 8.584 2.143 ( -1.542 1.541 -0.486) 2.234 2.143 ( -1.542 1.541 0.486) 2.234 2.245 ( -0.439 7.558 -1.404) 7.700 2.245 ( -0.439 7.558 1.404) 7.700 2.374 ( -1.466 3.475 -1.718) 4.145 2.374 ( -1.466 3.475 1.718) 4.145 2.458 ( -2.165 4.252 -0.732) 4.827 2.458 ( -2.165 4.252 0.732) 4.827 2.519 ( -1.908 8.857 -3.118) 9.581 2.519 ( -1.908 8.857 3.118) 9.581 3.535 ( 8.795 12.596 -5.390) 16.280 3.535 ( 8.795 12.596 5.390) 16.280 3.885 ( -4.385 -1.062 -2.304) 5.066 3.885 ( -4.385 -1.062 2.304) 5.066 4.365 ( 2.677 -1.291 -2.164) 3.677 4.365 ( 2.677 -1.291 2.164) 3.677 4.420 ( 0.964 -6.333 -2.210) 6.777 4.420 ( 0.964 -6.333 2.210) 6.777 4.936 ( -1.625 -3.590 -3.402) 5.206 4.936 ( -1.625 -3.590 3.402) 5.206 5.325 ( 0.498 2.553 -3.593) 4.436 5.325 ( 0.498 2.553 3.593) 4.436 6.739 ( -1.342 3.820 -4.009) 5.697 6.739 ( -1.342 3.820 4.009) 5.697 6.959 ( -5.806 5.329 -1.525) 8.027 6.959 ( -5.806 5.329 1.525) 8.027 8.050 ( 2.200 7.198 -0.960) 7.588 8.050 ( 2.200 7.198 0.960) 7.588 8.211 ( 2.099 1.329 -2.451) 3.490 8.211 ( 2.099 1.329 2.451) 3.490 8.346 ( 1.860 8.012 -1.492) 8.360 8.346 ( 1.860 8.012 1.492) 8.360 8.492 ( -4.758 3.093 -0.315) 5.684 8.492 ( -4.758 3.093 0.315) 5.684 9.305 ( -0.976 -2.133 -0.551) 2.410 9.305 ( -0.976 -2.133 0.551) 2.410 9.421 ( -1.556 -0.219 -2.133) 2.649 9.421 ( -1.556 -0.219 2.133) 2.649 9.703 ( 2.131 -3.710 -2.794) 5.110 9.703 ( 2.131 -3.710 2.794) 5.110 9.915 ( -0.753 -5.510 -1.593) 5.785 9.915 ( -0.753 -5.510 1.593) 5.785 ======================= Grid point 296 (90/105) ======================= q-point: (-0.50 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 0.000 -0.611 -0.000) 0.611 1.717 ( 0.000 -0.611 0.000) 0.611 1.760 ( -0.000 3.905 -0.000) 3.905 1.760 ( 0.000 3.905 0.000) 3.905 2.012 ( 0.000 0.464 0.000) 0.464 2.012 ( 0.000 0.464 0.000) 0.464 2.099 ( -0.000 4.152 -0.000) 4.152 2.099 ( 0.000 4.152 0.000) 4.152 2.274 ( 0.000 4.370 -0.000) 4.370 2.274 ( 0.000 4.370 0.000) 4.370 2.321 ( -0.000 2.583 -0.000) 2.583 2.321 ( -0.000 2.583 0.000) 2.583 2.465 ( -0.000 6.248 -0.000) 6.248 2.465 ( -0.000 6.248 0.000) 6.248 2.480 ( 0.000 7.908 -0.000) 7.908 2.480 ( 0.000 7.908 0.000) 7.908 3.674 ( 0.000 12.299 -0.000) 12.299 3.674 ( 0.000 12.299 0.000) 12.299 3.796 ( -0.000 -0.393 0.000) 0.393 3.796 ( -0.000 -0.393 0.000) 0.393 4.391 ( 0.000 -0.426 -0.000) 0.426 4.391 ( 0.000 -0.426 0.000) 0.426 4.433 ( 0.000 -7.577 0.000) 7.577 4.433 ( 0.000 -7.577 0.000) 7.577 4.918 ( 0.000 -4.257 0.000) 4.257 4.918 ( 0.000 -4.257 0.000) 4.257 5.331 ( 0.000 2.203 -0.000) 2.203 5.331 ( 0.000 2.203 0.000) 2.203 6.723 ( 0.000 3.377 -0.000) 3.377 6.723 ( 0.000 3.377 0.000) 3.377 6.899 ( 0.000 5.932 -0.000) 5.932 6.899 ( 0.000 5.932 0.000) 5.932 8.074 ( 0.000 9.492 0.000) 9.492 8.074 ( 0.000 9.492 0.000) 9.492 8.237 ( 0.000 -1.358 -0.000) 1.358 8.237 ( 0.000 -1.358 0.000) 1.358 8.400 ( -0.000 5.939 0.000) 5.939 8.400 ( 0.000 5.939 0.000) 5.939 8.403 ( -0.000 5.377 -0.000) 5.377 8.403 ( 0.000 5.377 -0.000) 5.377 9.292 ( 0.000 -2.416 0.000) 2.416 9.292 ( 0.000 -2.416 0.000) 2.416 9.405 ( -0.000 -0.046 -0.000) 0.046 9.405 ( 0.000 -0.046 0.000) 0.046 9.729 ( 0.000 -3.805 -0.000) 3.805 9.729 ( 0.000 -3.805 0.000) 3.805 9.905 ( 0.000 -5.473 0.000) 5.473 9.905 ( 0.000 -5.473 0.000) 5.473 ======================= Grid point 306 (91/105) ======================= q-point: ( 0.00 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 0.000 7.614 -2.179) 7.920 1.514 ( 0.000 7.614 2.179) 7.920 1.743 ( 0.000 7.399 -3.551) 8.207 1.743 ( 0.000 7.399 3.551) 8.207 1.852 ( 0.000 2.572 -3.531) 4.369 1.852 ( 0.000 2.572 3.531) 4.369 2.228 ( 0.000 -2.916 -1.706) 3.378 2.228 ( 0.000 -2.916 1.706) 3.378 2.347 ( 0.000 4.817 -3.276) 5.826 2.347 ( 0.000 4.817 3.276) 5.826 2.568 ( 0.000 3.278 -1.953) 3.816 2.568 ( 0.000 3.278 1.953) 3.816 2.744 ( 0.000 7.665 -3.428) 8.397 2.744 ( 0.000 7.665 3.428) 8.397 2.814 ( 0.000 7.407 -0.011) 7.407 2.814 ( 0.000 7.407 0.011) 7.407 3.447 ( 0.000 3.243 -3.377) 4.682 3.447 ( 0.000 3.243 3.377) 4.682 3.888 ( 0.000 0.476 -1.870) 1.929 3.888 ( 0.000 0.476 1.870) 1.929 4.004 ( 0.000 -4.391 -0.919) 4.486 4.004 ( 0.000 -4.391 0.919) 4.486 4.383 ( 0.000 2.571 -1.717) 3.092 4.383 ( 0.000 2.571 1.717) 3.092 5.106 ( 0.000 6.759 -11.115) 13.008 5.106 ( 0.000 6.759 11.115) 13.008 5.406 ( 0.000 5.868 -8.902) 10.662 5.406 ( 0.000 5.868 8.902) 10.662 6.881 ( 0.000 2.861 -5.266) 5.993 6.881 ( 0.000 2.861 5.266) 5.993 7.399 ( 0.000 -1.569 -8.499) 8.643 7.399 ( 0.000 -1.569 8.499) 8.643 7.937 ( 0.000 0.786 -0.443) 0.902 7.937 ( 0.000 0.786 0.443) 0.902 8.267 ( 0.000 2.408 -1.371) 2.771 8.267 ( 0.000 2.408 1.371) 2.771 8.476 ( 0.000 9.789 -0.248) 9.793 8.476 ( 0.000 9.789 0.248) 9.793 8.800 ( 0.000 5.180 -0.214) 5.184 8.800 ( 0.000 5.180 0.214) 5.184 9.238 ( 0.000 -0.524 -0.244) 0.578 9.238 ( 0.000 -0.524 0.244) 0.578 9.524 ( 0.000 2.310 -0.483) 2.360 9.524 ( 0.000 2.310 0.483) 2.360 9.589 ( 0.000 -1.381 -0.977) 1.691 9.589 ( 0.000 -1.381 0.977) 1.691 9.830 ( 0.000 -4.517 -1.142) 4.659 9.830 ( 0.000 -4.517 1.142) 4.659 ======================= Grid point 308 (92/105) ======================= q-point: ( 0.12 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 2.079 6.474 -2.577) 7.272 1.538 ( 2.079 6.474 2.577) 7.272 1.751 ( 1.103 5.474 -1.707) 5.839 1.751 ( 1.103 5.474 1.707) 5.839 1.858 ( 0.498 2.898 -2.219) 3.684 1.858 ( 0.498 2.898 2.219) 3.684 2.229 ( -0.445 -2.239 -2.070) 3.082 2.229 ( -0.445 -2.239 2.070) 3.082 2.335 ( -0.576 3.902 -3.364) 5.184 2.335 ( -0.576 3.902 3.364) 5.184 2.536 ( -3.087 2.441 -1.236) 4.125 2.536 ( -3.087 2.441 1.236) 4.125 2.732 ( -1.370 6.314 -2.615) 6.970 2.732 ( -1.370 6.314 2.615) 6.970 2.769 ( -3.777 7.030 -0.267) 7.985 2.769 ( -3.777 7.030 0.267) 7.985 3.490 ( 4.003 5.268 -3.375) 7.427 3.490 ( 4.003 5.268 3.375) 7.427 3.873 ( -0.415 -1.345 -1.490) 2.050 3.873 ( -0.415 -1.345 1.490) 2.050 4.080 ( 5.779 -2.788 -2.293) 6.813 4.080 ( 5.779 -2.788 2.293) 6.813 4.395 ( 1.087 3.229 -1.656) 3.788 4.395 ( 1.087 3.229 1.656) 3.788 5.081 ( -2.294 6.343 -10.122) 12.163 5.081 ( -2.294 6.343 10.122) 12.163 5.403 ( -0.317 5.365 -8.005) 9.642 5.403 ( -0.317 5.365 8.005) 9.642 6.870 ( -1.000 2.891 -4.930) 5.802 6.870 ( -1.000 2.891 4.930) 5.802 7.331 ( -6.121 -0.560 -7.165) 9.440 7.331 ( -6.121 -0.560 7.165) 9.440 7.957 ( 1.904 0.549 -0.470) 2.036 7.957 ( 1.904 0.549 0.470) 2.036 8.255 ( -0.813 2.307 -2.875) 3.775 8.255 ( -0.813 2.307 2.875) 3.775 8.486 ( 0.728 8.964 -1.022) 9.051 8.486 ( 0.728 8.964 1.022) 9.051 8.758 ( -3.535 5.115 -1.447) 6.384 8.758 ( -3.535 5.115 1.447) 6.384 9.270 ( 2.453 0.020 -1.851) 3.073 9.270 ( 2.453 0.020 1.851) 3.073 9.512 ( -1.627 1.141 -1.102) 2.273 9.512 ( -1.627 1.141 1.102) 2.273 9.585 ( 0.221 -1.013 -1.589) 1.898 9.585 ( 0.221 -1.013 1.589) 1.898 9.831 ( 0.020 -4.347 -0.689) 4.401 9.831 ( 0.020 -4.347 0.689) 4.401 ======================= Grid point 310 (93/105) ======================= q-point: ( 0.25 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 2.920 3.895 -2.580) 5.510 1.591 ( 2.920 3.895 2.580) 5.510 1.792 ( 2.040 -0.812 -2.908) 3.644 1.792 ( 2.040 -0.812 2.908) 3.644 1.881 ( 2.454 5.401 -4.911) 7.701 1.881 ( 2.454 5.401 4.911) 7.701 2.192 ( -2.595 -0.476 -2.015) 3.320 2.192 ( -2.595 -0.476 2.015) 3.320 2.343 ( 0.450 0.514 -3.431) 3.499 2.343 ( 0.450 0.514 3.431) 3.499 2.452 ( -3.963 1.801 -0.977) 4.461 2.452 ( -3.963 1.801 0.977) 4.461 2.659 ( -5.187 4.916 -1.979) 7.415 2.659 ( -5.187 4.916 1.979) 7.415 2.707 ( -2.233 5.610 -2.605) 6.577 2.707 ( -2.233 5.610 2.605) 6.577 3.598 ( 5.907 6.561 -3.866) 9.638 3.598 ( 5.907 6.561 3.866) 9.638 3.880 ( 0.763 -1.260 -2.455) 2.863 3.880 ( 0.763 -1.260 2.455) 2.863 4.204 ( 5.622 -1.812 -2.984) 6.618 4.204 ( 5.622 -1.812 2.984) 6.618 4.422 ( 1.337 4.525 -1.465) 4.941 4.422 ( 1.337 4.525 1.465) 4.941 5.017 ( -3.621 5.286 -7.441) 9.819 5.017 ( -3.621 5.286 7.441) 9.819 5.394 ( -0.472 4.122 -5.727) 7.072 5.394 ( -0.472 4.122 5.727) 7.072 6.842 ( -1.684 2.946 -4.052) 5.286 6.842 ( -1.684 2.946 4.052) 5.286 7.175 ( -7.940 1.375 -4.349) 9.157 7.175 ( -7.940 1.375 4.349) 9.157 8.013 ( 3.381 0.030 -0.843) 3.485 8.013 ( 3.381 0.030 0.843) 3.485 8.242 ( -0.431 1.308 -3.404) 3.672 8.242 ( -0.431 1.308 3.404) 3.672 8.500 ( 0.540 7.270 -0.536) 7.309 8.500 ( 0.540 7.270 0.536) 7.309 8.675 ( -4.114 5.440 -1.484) 6.980 8.675 ( -4.114 5.440 1.484) 6.980 9.307 ( 0.496 0.958 -2.171) 2.424 9.307 ( 0.496 0.958 2.171) 2.424 9.467 ( -2.038 0.686 -3.129) 3.797 9.467 ( -2.038 0.686 3.129) 3.797 9.606 ( 1.619 -1.366 -2.269) 3.104 9.606 ( 1.619 -1.366 2.269) 3.104 9.827 ( -0.467 -4.295 -0.143) 4.323 9.827 ( -0.467 -4.295 0.143) 4.323 ======================= Grid point 312 (94/105) ======================= q-point: ( 0.38 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 3.171 0.994 -1.993) 3.875 1.656 ( 3.171 0.994 1.993) 3.875 1.807 ( -0.294 -2.246 -2.880) 3.664 1.807 ( -0.294 -2.246 2.880) 3.664 1.966 ( 4.413 3.579 -2.842) 6.353 1.966 ( 4.413 3.579 2.842) 6.353 2.147 ( -1.656 -0.800 -0.242) 1.855 2.147 ( -1.656 -0.800 0.242) 1.855 2.297 ( -2.643 0.114 -2.334) 3.528 2.297 ( -2.643 0.114 2.334) 3.528 2.422 ( -1.470 0.344 -3.577) 3.882 2.422 ( -1.470 0.344 3.577) 3.882 2.566 ( -2.148 4.789 -1.558) 5.475 2.566 ( -2.148 4.789 1.558) 5.475 2.657 ( -2.587 3.956 -2.721) 5.454 2.657 ( -2.587 3.956 2.721) 5.454 3.717 ( 5.113 3.906 -4.443) 7.819 3.717 ( 5.113 3.906 4.443) 7.819 3.888 ( -0.283 1.392 -4.185) 4.420 3.888 ( -0.283 1.392 4.185) 4.420 4.301 ( 3.432 -0.594 -2.473) 4.271 4.301 ( 3.432 -0.594 2.473) 4.271 4.443 ( 0.577 5.194 -1.371) 5.403 4.443 ( 0.577 5.194 1.371) 5.403 4.946 ( -2.768 4.162 -3.820) 6.291 4.946 ( -2.768 4.162 3.820) 6.291 5.385 ( -0.349 2.832 -2.889) 4.061 5.385 ( -0.349 2.832 2.889) 4.061 6.806 ( -1.561 3.084 -2.621) 4.338 6.806 ( -1.561 3.084 2.621) 4.338 7.036 ( -4.831 2.620 -2.162) 5.906 7.036 ( -4.831 2.620 2.162) 5.906 8.091 ( 3.916 -0.360 -1.341) 4.155 8.091 ( 3.916 -0.360 1.341) 4.155 8.228 ( -1.232 -0.377 -2.650) 2.947 8.228 ( -1.232 -0.377 2.650) 2.947 8.507 ( 0.252 5.510 -0.674) 5.557 8.507 ( 0.252 5.510 0.674) 5.557 8.599 ( -2.878 6.315 -1.172) 7.038 8.599 ( -2.878 6.315 1.172) 7.038 9.295 ( -1.003 1.691 -1.556) 2.507 9.295 ( -1.003 1.691 1.556) 2.507 9.437 ( -0.970 1.676 -2.686) 3.311 9.437 ( -0.970 1.676 2.686) 3.311 9.645 ( 1.869 -2.036 -2.136) 3.493 9.645 ( 1.869 -2.036 2.136) 3.493 9.812 ( -0.833 -4.491 -0.599) 4.607 9.812 ( -0.833 -4.491 0.599) 4.607 ======================= Grid point 314 (95/105) ======================= q-point: (-0.50 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 0.000 -0.899 -0.000) 0.899 1.699 ( -0.000 -0.899 0.000) 0.899 1.798 ( 0.000 -0.960 -0.000) 0.960 1.798 ( 0.000 -0.960 0.000) 0.960 2.016 ( 0.000 1.346 0.000) 1.346 2.016 ( 0.000 1.346 0.000) 1.346 2.122 ( -0.000 -0.549 0.000) 0.549 2.122 ( -0.000 -0.549 0.000) 0.549 2.308 ( -0.000 -0.057 -0.000) 0.057 2.308 ( -0.000 -0.057 0.000) 0.057 2.353 ( 0.000 0.441 -0.000) 0.441 2.353 ( 0.000 0.441 0.000) 0.441 2.578 ( 0.000 3.830 -0.000) 3.830 2.578 ( 0.000 3.830 0.000) 3.830 2.610 ( -0.000 3.610 -0.000) 3.610 2.610 ( -0.000 3.610 0.000) 3.610 3.782 ( -0.000 -0.440 -0.000) 0.440 3.782 ( -0.000 -0.440 0.000) 0.440 3.875 ( -0.000 5.387 -0.000) 5.387 3.875 ( 0.000 5.387 0.000) 5.387 4.338 ( 0.000 0.240 -0.000) 0.240 4.338 ( 0.000 0.240 0.000) 0.240 4.448 ( 0.000 5.156 -0.000) 5.156 4.448 ( 0.000 5.156 0.000) 5.156 4.916 ( 0.000 3.681 -0.000) 3.681 4.916 ( 0.000 3.681 0.000) 3.681 5.381 ( 0.000 2.282 -0.000) 2.282 5.381 ( 0.000 2.282 0.000) 2.282 6.787 ( 0.000 3.230 0.000) 3.230 6.787 ( 0.000 3.230 0.000) 3.230 6.986 ( 0.000 2.915 -0.000) 2.915 6.986 ( 0.000 2.915 0.000) 2.915 8.152 ( 0.000 0.364 -0.000) 0.364 8.152 ( 0.000 0.364 0.000) 0.364 8.198 ( -0.000 -2.146 0.000) 2.146 8.198 ( 0.000 -2.146 0.000) 2.146 8.510 ( 0.000 4.508 -0.000) 4.508 8.510 ( 0.000 4.508 0.000) 4.508 8.567 ( -0.000 7.098 -0.000) 7.098 8.567 ( -0.000 7.098 0.000) 7.098 9.283 ( 0.000 2.137 -0.000) 2.137 9.283 ( 0.000 2.137 0.000) 2.137 9.426 ( 0.000 2.042 -0.000) 2.042 9.426 ( 0.000 2.042 0.000) 2.042 9.668 ( 0.000 -2.152 0.000) 2.152 9.668 ( 0.000 -2.152 0.000) 2.152 9.801 ( 0.000 -4.647 -0.000) 4.647 9.801 ( 0.000 -4.647 0.000) 4.647 ======================= Grid point 324 (96/105) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 0.000 2.915 -3.782) 4.775 1.615 ( 0.000 2.915 3.782) 4.775 1.757 ( 0.000 -2.158 -4.321) 4.830 1.757 ( 0.000 -2.158 4.321) 4.830 1.996 ( 0.000 7.471 -4.447) 8.694 1.996 ( 0.000 7.471 4.447) 8.694 2.148 ( 0.000 -4.045 -5.081) 6.495 2.148 ( 0.000 -4.045 5.081) 6.495 2.424 ( 0.000 2.157 -1.048) 2.399 2.424 ( 0.000 2.157 1.048) 2.399 2.590 ( 0.000 -0.510 -1.634) 1.712 2.590 ( 0.000 -0.510 1.634) 1.712 2.842 ( 0.000 2.143 -1.121) 2.418 2.842 ( 0.000 2.143 1.121) 2.418 2.945 ( 0.000 5.353 -1.880) 5.674 2.945 ( 0.000 5.353 1.880) 5.674 3.465 ( 0.000 0.261 -5.335) 5.342 3.465 ( 0.000 0.261 5.335) 5.342 3.869 ( 0.000 -2.821 -3.104) 4.194 3.869 ( 0.000 -2.821 3.104) 4.194 4.027 ( 0.000 5.284 -5.426) 7.574 4.027 ( 0.000 5.284 5.426) 7.574 4.466 ( 0.000 4.581 -1.246) 4.747 4.466 ( 0.000 4.581 1.246) 4.747 5.267 ( 0.000 8.120 -9.828) 12.749 5.267 ( 0.000 8.120 9.828) 12.749 5.513 ( 0.000 4.212 -5.602) 7.008 5.513 ( 0.000 4.212 5.602) 7.008 6.943 ( 0.000 3.318 -4.042) 5.230 6.943 ( 0.000 3.318 4.042) 5.230 7.372 ( 0.000 -1.185 -7.472) 7.565 7.372 ( 0.000 -1.185 7.472) 7.565 7.953 ( 0.000 0.702 -0.756) 1.032 7.953 ( 0.000 0.702 0.756) 1.032 8.276 ( 0.000 -1.032 -0.514) 1.153 8.276 ( 0.000 -1.032 0.514) 1.153 8.648 ( 0.000 7.052 -0.918) 7.111 8.648 ( 0.000 7.052 0.918) 7.111 8.904 ( 0.000 4.309 -1.663) 4.618 8.904 ( 0.000 4.309 1.663) 4.618 9.228 ( 0.000 -0.638 -0.392) 0.749 9.228 ( 0.000 -0.638 0.392) 0.749 9.563 ( 0.000 1.066 -0.704) 1.277 9.563 ( 0.000 1.066 0.704) 1.277 9.589 ( 0.000 1.586 -0.259) 1.607 9.589 ( 0.000 1.586 0.259) 1.607 9.756 ( 0.000 -2.800 -1.208) 3.049 9.756 ( 0.000 -2.800 1.208) 3.049 ======================= Grid point 326 (97/105) ======================= q-point: ( 0.12 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 0.806 2.589 -3.530) 4.451 1.624 ( 0.806 2.589 3.530) 4.451 1.753 ( -0.353 -2.150 -4.260) 4.784 1.753 ( -0.353 -2.150 4.260) 4.784 1.998 ( 0.280 7.672 -4.685) 8.994 1.998 ( 0.280 7.672 4.685) 8.994 2.155 ( 0.543 -4.300 -4.175) 6.018 2.155 ( 0.543 -4.300 4.175) 6.018 2.399 ( -2.347 2.090 -1.727) 3.586 2.399 ( -2.347 2.090 1.727) 3.586 2.542 ( -3.998 -1.437 -1.750) 4.595 2.542 ( -3.998 -1.437 1.750) 4.595 2.794 ( -4.125 0.728 -1.085) 4.327 2.794 ( -4.125 0.728 1.085) 4.327 2.901 ( -3.916 5.158 -1.849) 6.735 2.901 ( -3.916 5.158 1.849) 6.735 3.533 ( 5.592 0.713 -5.753) 8.055 3.533 ( 5.592 0.713 5.753) 8.055 3.856 ( -0.386 -1.401 -3.731) 4.004 3.856 ( -0.386 -1.401 3.731) 4.004 4.107 ( 6.392 4.475 -6.140) 9.929 4.107 ( 6.392 4.475 6.140) 9.929 4.487 ( 1.836 4.795 -1.288) 5.294 4.487 ( 1.836 4.795 1.288) 5.294 5.239 ( -2.647 8.179 -9.013) 12.455 5.239 ( -2.647 8.179 9.013) 12.455 5.498 ( -1.364 3.604 -5.074) 6.371 5.498 ( -1.364 3.604 5.074) 6.371 6.932 ( -1.058 3.192 -3.783) 5.062 6.932 ( -1.058 3.192 3.783) 5.062 7.320 ( -4.757 -0.598 -6.493) 8.072 7.320 ( -4.757 -0.598 6.493) 8.072 7.969 ( 1.505 0.537 -0.667) 1.732 7.969 ( 1.505 0.537 0.667) 1.732 8.265 ( -0.972 -0.928 -1.502) 2.016 8.265 ( -0.972 -0.928 1.502) 2.016 8.637 ( -1.030 6.174 -1.038) 6.344 8.637 ( -1.030 6.174 1.038) 6.344 8.854 ( -4.035 3.336 -2.107) 5.644 8.854 ( -4.035 3.336 2.107) 5.644 9.279 ( 3.950 0.641 -2.724) 4.841 9.279 ( 3.950 0.641 2.724) 4.841 9.533 ( -2.361 1.080 -1.415) 2.956 9.533 ( -2.361 1.080 1.415) 2.956 9.590 ( 0.083 1.227 -0.365) 1.283 9.590 ( 0.083 1.227 0.365) 1.283 9.759 ( 0.075 -2.801 -1.056) 2.994 9.759 ( 0.075 -2.801 1.056) 2.994 ======================= Grid point 328 (98/105) ======================= q-point: ( 0.25 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 1.213 1.902 -2.851) 3.636 1.645 ( 1.213 1.902 2.851) 3.636 1.747 ( -0.190 -2.538 -3.930) 4.682 1.747 ( -0.190 -2.538 3.930) 4.682 2.014 ( 1.406 6.719 -4.415) 8.162 2.014 ( 1.406 6.719 4.415) 8.162 2.155 ( -1.017 -2.848 -1.538) 3.393 2.155 ( -1.017 -2.848 1.538) 3.393 2.346 ( -2.255 0.081 -2.544) 3.401 2.346 ( -2.255 0.081 2.544) 3.401 2.446 ( -4.606 -2.404 -2.242) 5.659 2.446 ( -4.606 -2.404 2.242) 5.659 2.702 ( -4.206 -0.257 -2.211) 4.758 2.702 ( -4.206 -0.257 2.211) 4.758 2.796 ( -5.784 3.277 -1.241) 6.763 2.796 ( -5.784 3.277 1.241) 6.763 3.658 ( 5.764 1.203 -6.110) 8.485 3.658 ( 5.764 1.203 6.110) 8.485 3.864 ( 0.963 -1.111 -4.660) 4.887 3.864 ( 0.963 -1.111 4.660) 4.887 4.253 ( 7.053 5.166 -6.148) 10.688 4.253 ( 7.053 5.166 6.148) 10.688 4.530 ( 1.997 5.155 -1.506) 5.730 4.530 ( 1.997 5.155 1.506) 5.730 5.164 ( -4.208 8.280 -6.696) 11.450 5.164 ( -4.208 8.280 6.696) 11.450 5.461 ( -2.035 2.055 -3.642) 4.650 5.461 ( -2.035 2.055 3.642) 4.650 6.903 ( -1.568 3.082 -3.156) 4.682 6.903 ( -1.568 3.082 3.156) 4.682 7.195 ( -6.636 0.512 -4.334) 7.943 7.195 ( -6.636 0.512 4.334) 7.943 8.014 ( 2.768 0.082 -0.587) 2.831 8.014 ( 2.768 0.082 0.587) 2.831 8.241 ( -1.296 -1.037 -2.025) 2.618 8.241 ( -1.296 -1.037 2.025) 2.618 8.609 ( -1.408 4.307 -1.777) 4.867 8.609 ( -1.408 4.307 1.777) 4.867 8.762 ( -4.456 2.127 -1.347) 5.119 8.762 ( -4.456 2.127 1.347) 5.119 9.352 ( 2.389 3.136 -3.043) 4.980 9.352 ( 2.389 3.136 3.043) 4.980 9.491 ( -1.211 1.527 -2.888) 3.484 9.491 ( -1.211 1.527 2.888) 3.484 9.593 ( 0.383 -0.067 -0.846) 0.931 9.593 ( 0.383 -0.067 0.846) 0.931 9.753 ( -0.696 -2.978 -0.825) 3.168 9.753 ( -0.696 -2.978 0.825) 3.168 ======================= Grid point 330 (99/105) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 1.317 0.874 -1.996) 2.546 1.673 ( 1.317 0.874 1.996) 2.546 1.746 ( 0.033 -3.001 -2.917) 4.185 1.746 ( 0.033 -3.001 2.917) 4.185 2.051 ( 1.693 4.438 -2.860) 5.545 2.051 ( 1.693 4.438 2.860) 5.545 2.123 ( -1.416 -1.065 -0.537) 1.852 2.123 ( -1.416 -1.065 0.537) 1.852 2.291 ( -2.428 -0.529 -2.362) 3.428 2.291 ( -2.428 -0.529 2.362) 3.428 2.387 ( -1.841 -3.755 -4.259) 5.969 2.387 ( -1.841 -3.755 4.259) 5.969 2.625 ( -2.697 0.943 -2.172) 3.589 2.625 ( -2.697 0.943 2.172) 3.589 2.687 ( -4.168 -0.121 -1.130) 4.321 2.687 ( -4.168 -0.121 1.130) 4.321 3.754 ( 3.306 1.214 -4.808) 5.960 3.754 ( 3.306 1.214 4.808) 5.960 3.884 ( 0.755 -1.623 -4.145) 4.515 3.884 ( 0.755 -1.623 4.145) 4.515 4.382 ( 4.971 6.499 -4.686) 9.429 4.382 ( 4.971 6.499 4.686) 9.429 4.558 ( 0.542 5.174 -1.868) 5.528 4.558 ( 0.542 5.174 1.868) 5.528 5.082 ( -3.237 8.310 -3.456) 9.564 5.082 ( -3.237 8.310 3.456) 9.564 5.422 ( -1.518 0.402 -1.812) 2.398 5.422 ( -1.518 0.402 1.812) 2.398 6.873 ( -1.096 3.505 -2.226) 4.295 6.873 ( -1.096 3.505 2.226) 4.295 7.072 ( -4.549 0.884 -2.423) 5.230 7.072 ( -4.549 0.884 2.423) 5.230 8.080 ( 3.432 -0.540 -0.791) 3.563 8.080 ( 3.432 -0.540 0.791) 3.563 8.207 ( -2.087 -1.335 -1.655) 2.979 8.207 ( -2.087 -1.335 1.655) 2.979 8.586 ( -0.687 2.850 -2.028) 3.565 8.586 ( -0.687 2.850 2.028) 3.565 8.679 ( -3.225 1.276 -0.827) 3.566 8.679 ( -3.225 1.276 0.827) 3.566 9.373 ( 0.126 5.239 -1.792) 5.538 9.373 ( 0.126 5.239 1.792) 5.538 9.482 ( -0.159 2.389 -2.608) 3.540 9.482 ( -0.159 2.389 2.608) 3.540 9.614 ( 1.491 -1.245 -1.171) 2.268 9.614 ( 1.491 -1.245 1.171) 2.268 9.732 ( -1.200 -3.366 -0.397) 3.596 9.732 ( -1.200 -3.366 0.397) 3.596 ======================= Grid point 332 (100/105) ======================= q-point: (-0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 0.000 0.021 -0.000) 0.021 1.690 ( -0.000 0.021 0.000) 0.021 1.746 ( 0.000 -2.946 -0.000) 2.946 1.746 ( 0.000 -2.946 0.000) 2.946 2.069 ( 0.000 3.302 -0.000) 3.302 2.069 ( 0.000 3.302 0.000) 3.302 2.106 ( -0.000 -0.526 -0.000) 0.526 2.106 ( 0.000 -0.526 0.000) 0.526 2.287 ( 0.000 -1.954 -0.000) 1.954 2.287 ( 0.000 -1.954 0.000) 1.954 2.341 ( -0.000 -1.660 -0.000) 1.660 2.341 ( -0.000 -1.660 0.000) 1.660 2.616 ( 0.000 0.156 -0.000) 0.156 2.616 ( 0.000 0.156 0.000) 0.156 2.627 ( -0.000 -1.184 -0.000) 1.184 2.627 ( -0.000 -1.184 0.000) 1.184 3.790 ( 0.000 1.080 -0.000) 1.080 3.790 ( 0.000 1.080 0.000) 1.080 3.891 ( -0.000 -1.848 -0.000) 1.848 3.891 ( -0.000 -1.848 0.000) 1.848 4.439 ( -0.000 7.402 -0.000) 7.402 4.439 ( -0.000 7.402 0.000) 7.402 4.559 ( 0.000 4.802 -0.000) 4.802 4.559 ( 0.000 4.802 0.000) 4.802 5.046 ( 0.000 8.300 -0.000) 8.300 5.046 ( 0.000 8.300 0.000) 8.300 5.405 ( 0.000 -0.311 -0.000) 0.311 5.405 ( 0.000 -0.311 0.000) 0.311 6.862 ( 0.000 4.014 0.000) 4.014 6.862 ( 0.000 4.014 0.000) 4.014 7.023 ( 0.000 0.648 -0.000) 0.648 7.023 ( 0.000 0.648 0.000) 0.648 8.144 ( 0.000 -0.721 -0.000) 0.721 8.144 ( 0.000 -0.721 0.000) 0.721 8.158 ( -0.000 -1.604 0.000) 1.604 8.158 ( 0.000 -1.604 0.000) 1.604 8.581 ( 0.000 2.429 -0.000) 2.429 8.581 ( 0.000 2.429 0.000) 2.429 8.642 ( -0.000 0.910 -0.000) 0.910 8.642 ( -0.000 0.910 0.000) 0.910 9.373 ( 0.000 5.794 -0.000) 5.794 9.373 ( 0.000 5.794 0.000) 5.794 9.479 ( 0.000 2.778 -0.000) 2.778 9.479 ( 0.000 2.778 0.000) 2.778 9.636 ( -0.000 -1.125 -0.000) 1.125 9.636 ( -0.000 -1.125 0.000) 1.125 9.715 ( 0.000 -3.849 -0.000) 3.849 9.715 ( 0.000 -3.849 0.000) 3.849 ======================= Grid point 342 (101/105) ======================= q-point: ( 0.00 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 0.000 1.375 -2.391) 2.758 1.658 ( 0.000 1.375 2.391) 2.758 1.720 ( 0.000 -1.089 -3.154) 3.337 1.720 ( 0.000 -1.089 3.154) 3.337 2.025 ( 0.000 -2.488 -2.708) 3.677 2.025 ( 0.000 -2.488 2.708) 3.677 2.161 ( 0.000 3.445 -2.052) 4.010 2.161 ( 0.000 3.445 2.052) 4.010 2.424 ( 0.000 -1.324 -1.672) 2.133 2.424 ( 0.000 -1.324 1.672) 2.133 2.580 ( 0.000 -0.133 -0.258) 0.290 2.580 ( 0.000 -0.133 0.258) 0.290 2.861 ( 0.000 0.210 -0.058) 0.218 2.861 ( 0.000 0.210 0.058) 0.218 3.021 ( 0.000 1.921 -1.021) 2.176 3.021 ( 0.000 1.921 1.021) 2.176 3.481 ( 0.000 0.853 -2.179) 2.340 3.481 ( 0.000 0.853 2.179) 2.340 3.825 ( 0.000 -1.181 -1.223) 1.700 3.825 ( 0.000 -1.181 1.223) 1.700 4.114 ( 0.000 2.407 -1.994) 3.126 4.114 ( 0.000 2.407 1.994) 3.126 4.539 ( 0.000 2.054 -0.411) 2.095 4.539 ( 0.000 2.054 0.411) 2.095 5.400 ( 0.000 3.895 -4.308) 5.808 5.400 ( 0.000 3.895 4.308) 5.808 5.569 ( 0.000 1.195 -1.538) 1.948 5.569 ( 0.000 1.195 1.538) 1.948 7.006 ( 0.000 2.135 -2.169) 3.044 7.006 ( 0.000 2.135 2.169) 3.044 7.349 ( 0.000 -0.872 -3.627) 3.730 7.349 ( 0.000 -0.872 3.627) 3.730 7.963 ( 0.000 0.276 -0.354) 0.449 7.963 ( 0.000 0.276 0.354) 0.449 8.250 ( 0.000 -0.977 -0.050) 0.978 8.250 ( 0.000 -0.977 0.050) 0.978 8.758 ( 0.000 3.235 -0.440) 3.265 8.758 ( 0.000 3.235 0.440) 3.265 8.957 ( 0.000 0.950 -1.236) 1.559 8.957 ( 0.000 0.950 1.236) 1.559 9.215 ( 0.000 -0.378 -0.494) 0.622 9.215 ( 0.000 -0.378 0.494) 0.622 9.578 ( 0.000 0.471 -0.062) 0.475 9.578 ( 0.000 0.471 0.062) 0.475 9.629 ( 0.000 1.642 -0.447) 1.702 9.629 ( 0.000 1.642 0.447) 1.702 9.711 ( 0.000 -1.578 -0.826) 1.781 9.711 ( 0.000 -1.578 0.826) 1.781 ======================= Grid point 344 (102/105) ======================= q-point: ( 0.12 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 0.535 1.325 -2.191) 2.616 1.664 ( 0.535 1.325 2.191) 2.616 1.716 ( -0.315 -1.068 -2.859) 3.068 1.716 ( -0.315 -1.068 2.859) 3.068 2.051 ( 2.355 -2.290 -2.246) 3.979 2.051 ( 2.355 -2.290 2.246) 3.979 2.148 ( -1.084 3.593 -2.317) 4.411 2.148 ( -1.084 3.593 2.317) 4.411 2.405 ( -2.042 -1.162 -1.508) 2.792 2.405 ( -2.042 -1.162 1.508) 2.792 2.511 ( -5.743 -0.788 -0.518) 5.820 2.511 ( -5.743 -0.788 0.518) 5.820 2.794 ( -5.443 -0.239 -0.163) 5.451 2.794 ( -5.443 -0.239 0.163) 5.451 2.971 ( -4.615 1.748 -0.878) 5.013 2.971 ( -4.615 1.748 0.878) 5.013 3.551 ( 5.750 0.788 -2.278) 6.235 3.551 ( 5.750 0.788 2.278) 6.235 3.829 ( 0.487 -0.785 -1.758) 1.986 3.829 ( 0.487 -0.785 1.758) 1.986 4.187 ( 6.338 2.332 -2.408) 7.170 4.187 ( 6.338 2.332 2.408) 7.170 4.562 ( 2.000 2.083 -0.449) 2.923 4.562 ( 2.000 2.083 0.449) 2.923 5.377 ( -2.148 4.238 -4.218) 6.353 5.377 ( -2.148 4.238 4.218) 6.353 5.541 ( -2.566 0.671 -1.734) 3.169 5.541 ( -2.566 0.671 1.734) 3.169 6.991 ( -1.334 1.984 -2.004) 3.120 6.991 ( -1.334 1.984 2.004) 3.120 7.306 ( -3.991 -0.614 -3.170) 5.134 7.306 ( -3.991 -0.614 3.170) 5.134 7.977 ( 1.301 0.229 -0.311) 1.357 7.977 ( 1.301 0.229 0.311) 1.357 8.240 ( -0.818 -0.896 -0.466) 1.300 8.240 ( -0.818 -0.896 0.466) 1.300 8.739 ( -1.818 3.300 -0.673) 3.828 8.739 ( -1.818 3.300 0.673) 3.828 8.881 ( -5.698 -0.190 -1.054) 5.798 8.881 ( -5.698 -0.190 1.054) 5.798 9.291 ( 5.680 0.428 -1.374) 5.859 9.291 ( 5.680 0.428 1.374) 5.859 9.555 ( -1.812 0.732 -0.514) 2.021 9.555 ( -1.812 0.732 0.514) 2.021 9.619 ( -0.938 1.163 -0.641) 1.626 9.619 ( -0.938 1.163 0.641) 1.626 9.714 ( 0.075 -1.474 -0.835) 1.696 9.714 ( 0.075 -1.474 0.835) 1.696 ======================= Grid point 346 (103/105) ======================= q-point: ( 0.25 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 157 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 0.705 1.111 -1.888) 2.301 1.678 ( 0.705 1.111 1.888) 2.301 1.708 ( -0.383 -1.018 -2.165) 2.423 1.708 ( -0.383 -1.018 2.165) 2.423 2.099 ( 0.979 -1.767 -1.327) 2.417 2.099 ( 0.979 -1.767 1.327) 2.417 2.137 ( 0.994 4.339 -1.631) 4.740 2.137 ( 0.994 4.339 1.631) 4.740 2.336 ( -4.061 -1.409 -0.661) 4.349 2.336 ( -4.061 -1.409 0.661) 4.349 2.384 ( -5.898 -2.160 -0.971) 6.355 2.384 ( -5.898 -2.160 0.971) 6.355 2.681 ( -4.624 -0.975 -0.850) 4.801 2.681 ( -4.624 -0.975 0.850) 4.801 2.842 ( -7.407 1.193 -0.752) 7.540 2.842 ( -7.407 1.193 0.752) 7.540 3.679 ( 5.861 0.712 -2.384) 6.368 3.679 ( 5.861 0.712 2.384) 6.368 3.843 ( 0.715 -0.607 -2.204) 2.395 3.843 ( 0.715 -0.607 2.204) 2.395 4.343 ( 7.859 2.591 -2.451) 8.630 4.343 ( 7.859 2.591 2.451) 8.630 4.608 ( 2.055 2.099 -0.617) 3.001 4.608 ( 2.055 2.099 0.617) 3.001 5.317 ( -3.366 5.401 -3.735) 7.380 5.317 ( -3.366 5.401 3.735) 7.380 5.469 ( -4.025 -0.989 -1.945) 4.578 5.469 ( -4.025 -0.989 1.945) 4.578 6.958 ( -1.529 1.812 -1.669) 2.899 6.958 ( -1.529 1.812 1.669) 2.899 7.196 ( -6.095 -0.199 -2.209) 6.486 7.196 ( -6.095 -0.199 2.209) 6.486 8.016 ( 2.380 0.081 -0.229) 2.392 8.016 ( 2.380 0.081 0.229) 2.392 8.218 ( -1.301 -0.775 -0.675) 1.658 8.218 ( -1.301 -0.775 0.675) 1.658 8.688 ( -2.814 3.169 -1.553) 4.513 8.688 ( -2.814 3.169 1.553) 4.513 8.762 ( -5.265 -1.460 -0.048) 5.464 8.762 ( -5.265 -1.460 0.048) 5.464 9.409 ( 5.103 1.748 -1.636) 5.637 9.409 ( 5.103 1.748 1.636) 5.637 9.521 ( -1.144 1.083 -0.936) 1.832 9.521 ( -1.144 1.083 0.936) 1.832 9.595 ( -1.175 0.042 -0.630) 1.334 9.595 ( -1.175 0.042 0.630) 1.334 9.706 ( -0.856 -1.381 -0.801) 1.812 9.706 ( -0.856 -1.381 0.801) 1.812 ======================= Grid point 348 (104/105) ======================= q-point: ( 0.38 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 0.405 0.627 -1.569) 1.737 1.690 ( 0.405 0.627 1.569) 1.737 1.703 ( -0.068 -1.059 -1.440) 1.789 1.703 ( -0.068 -1.059 1.440) 1.789 2.101 ( 0.280 0.226 -1.256) 1.306 2.101 ( 0.280 0.226 1.256) 1.306 2.160 ( -0.274 5.041 -1.194) 5.188 2.160 ( -0.274 5.041 1.194) 5.188 2.268 ( -2.748 -3.468 -2.908) 5.295 2.268 ( -2.748 -3.468 2.908) 5.295 2.291 ( -1.625 -3.035 -1.413) 3.721 2.291 ( -1.625 -3.035 1.413) 3.721 2.611 ( -2.122 -1.191 -1.398) 2.806 2.611 ( -2.122 -1.191 1.398) 2.806 2.690 ( -6.473 0.311 -0.557) 6.505 2.690 ( -6.473 0.311 0.557) 6.505 3.778 ( 3.499 0.828 -2.302) 4.269 3.778 ( 3.499 0.828 2.302) 4.269 3.853 ( 0.150 -0.953 -2.285) 2.480 3.853 ( 0.150 -0.953 2.285) 2.480 4.491 ( 6.064 3.159 -2.062) 7.141 4.491 ( 6.064 3.159 2.062) 7.141 4.633 ( 0.044 1.890 -0.980) 2.129 4.633 ( 0.044 1.890 0.980) 2.129 5.251 ( -2.589 7.187 -2.345) 7.991 5.251 ( -2.589 7.187 2.345) 7.991 5.391 ( -3.098 -3.361 -1.428) 4.789 5.391 ( -3.098 -3.361 1.428) 4.789 6.938 ( -0.175 2.253 -1.418) 2.668 6.938 ( -0.175 2.253 1.418) 2.668 7.074 ( -5.161 -0.454 -1.535) 5.404 7.074 ( -5.161 -0.454 1.535) 5.404 8.072 ( 2.947 -0.167 -0.256) 2.963 8.072 ( 2.947 -0.167 0.256) 2.963 8.184 ( -2.027 -0.667 -0.575) 2.210 8.184 ( -2.027 -0.667 0.575) 2.210 8.636 ( -1.888 2.100 -1.754) 3.325 8.636 ( -1.888 2.100 1.754) 3.325 8.673 ( -3.173 -1.335 -0.348) 3.460 8.673 ( -3.173 -1.335 0.348) 3.460 9.477 ( 1.092 4.299 -1.522) 4.689 9.477 ( 1.092 4.299 1.522) 4.689 9.518 ( 0.671 0.612 -1.120) 1.442 9.518 ( 0.671 0.612 1.120) 1.442 9.586 ( 0.924 -1.448 -0.428) 1.770 9.586 ( 0.924 -1.448 0.428) 1.770 9.679 ( -1.758 -1.558 -0.655) 2.439 9.679 ( -1.758 -1.558 0.655) 2.439 ======================= Grid point 350 (105/105) ======================= q-point: (-0.50 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 0.000 0.229 -0.000) 0.229 1.694 ( -0.000 0.229 0.000) 0.229 1.704 ( 0.000 -1.049 -0.000) 1.049 1.704 ( 0.000 -1.049 0.000) 1.049 2.118 ( 0.000 1.739 -0.000) 1.739 2.118 ( 0.000 1.739 0.000) 1.739 2.133 ( 0.000 1.988 -0.000) 1.988 2.133 ( 0.000 1.988 0.000) 1.988 2.243 ( 0.000 -1.130 -0.000) 1.130 2.243 ( 0.000 -1.130 0.000) 1.130 2.284 ( -0.000 -3.609 -0.000) 3.609 2.284 ( 0.000 -3.609 0.000) 3.609 2.600 ( 0.000 -0.724 -0.000) 0.724 2.600 ( 0.000 -0.724 0.000) 0.724 2.604 ( -0.000 -0.821 -0.000) 0.821 2.604 ( -0.000 -0.821 0.000) 0.821 3.818 ( 0.000 1.528 -0.000) 1.528 3.818 ( 0.000 1.528 0.000) 1.528 3.851 ( -0.000 -1.779 -0.000) 1.779 3.851 ( -0.000 -1.779 0.000) 1.779 4.572 ( -0.000 4.743 -0.000) 4.743 4.572 ( -0.000 4.743 0.000) 4.743 4.617 ( 0.000 0.450 -0.000) 0.450 4.617 ( 0.000 0.450 0.000) 0.450 5.222 ( 0.000 8.154 -0.000) 8.154 5.222 ( 0.000 8.154 0.000) 8.154 5.356 ( 0.000 -4.603 0.000) 4.603 5.356 ( 0.000 -4.603 0.000) 4.603 6.945 ( 0.000 3.889 -0.000) 3.889 6.945 ( 0.000 3.889 0.000) 3.889 7.009 ( -0.000 -2.032 -0.000) 2.032 7.009 ( -0.000 -2.032 0.000) 2.032 8.132 ( -0.000 -0.290 -0.000) 0.290 8.132 ( 0.000 -0.290 -0.000) 0.290 8.135 ( -0.000 -0.631 0.000) 0.631 8.135 ( 0.000 -0.631 0.000) 0.631 8.617 ( 0.000 1.277 -0.000) 1.277 8.617 ( 0.000 1.277 0.000) 1.277 8.638 ( -0.000 -0.819 -0.000) 0.819 8.638 ( -0.000 -0.819 0.000) 0.819 9.485 ( 0.000 4.382 -0.000) 4.382 9.485 ( 0.000 4.382 0.000) 4.382 9.522 ( 0.000 0.861 -0.000) 0.861 9.522 ( 0.000 0.861 0.000) 0.861 9.619 ( -0.000 -0.330 -0.000) 0.330 9.619 ( -0.000 -0.330 0.000) 0.330 9.644 ( 0.000 -2.855 -0.000) 2.855 9.644 ( 0.000 -2.855 0.000) 2.855 =================== 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 3/19968 10.0 241.423 250.210 237.998 0.000 0.000 0.000 3/19968 20.0 75.155 103.832 48.076 0.000 0.000 0.000 3/19968 30.0 40.612 62.327 25.432 0.000 0.000 0.000 3/19968 40.0 26.336 41.041 16.462 0.000 0.000 0.000 3/19968 50.0 19.017 29.510 11.885 0.000 0.000 0.000 3/19968 60.0 14.704 22.624 9.203 0.000 0.000 0.000 3/19968 70.0 11.909 18.167 7.470 0.000 0.000 0.000 3/19968 80.0 9.972 15.098 6.270 0.000 0.000 0.000 3/19968 90.0 8.562 12.882 5.396 0.000 0.000 0.000 3/19968 100.0 7.495 11.220 4.733 0.000 0.000 0.000 3/19968 110.0 6.663 9.933 4.215 0.000 0.000 0.000 3/19968 120.0 5.997 8.911 3.800 0.000 0.000 0.000 3/19968 130.0 5.453 8.081 3.460 0.000 0.000 0.000 3/19968 140.0 5.001 7.395 3.176 0.000 0.000 0.000 3/19968 150.0 4.619 6.818 2.937 0.000 0.000 0.000 3/19968 160.0 4.293 6.327 2.731 0.000 0.000 0.000 3/19968 170.0 4.010 5.903 2.553 0.000 0.000 0.000 3/19968 180.0 3.764 5.534 2.397 0.000 0.000 0.000 3/19968 190.0 3.546 5.210 2.260 0.000 0.000 0.000 3/19968 200.0 3.353 4.922 2.138 0.000 0.000 0.000 3/19968 210.0 3.180 4.665 2.028 0.000 0.000 0.000 3/19968 220.0 3.025 4.435 1.930 0.000 0.000 0.000 3/19968 230.0 2.884 4.227 1.841 0.000 0.000 0.000 3/19968 240.0 2.756 4.038 1.759 0.000 0.000 0.000 3/19968 250.0 2.639 3.865 1.685 0.000 0.000 0.000 3/19968 260.0 2.532 3.707 1.617 0.000 0.000 0.000 3/19968 270.0 2.434 3.562 1.555 0.000 0.000 0.000 3/19968 280.0 2.343 3.428 1.497 0.000 0.000 0.000 3/19968 290.0 2.258 3.304 1.443 0.000 0.000 0.000 3/19968 300.0 2.180 3.188 1.393 0.000 0.000 0.000 3/19968 310.0 2.107 3.081 1.347 0.000 0.000 0.000 3/19968 320.0 2.039 2.981 1.303 0.000 0.000 0.000 3/19968 330.0 1.975 2.887 1.262 0.000 0.000 0.000 3/19968 340.0 1.915 2.799 1.224 0.000 0.000 0.000 3/19968 350.0 1.859 2.716 1.188 0.000 0.000 0.000 3/19968 360.0 1.806 2.638 1.154 0.000 0.000 0.000 3/19968 370.0 1.755 2.565 1.122 0.000 0.000 0.000 3/19968 380.0 1.708 2.495 1.092 0.000 0.000 0.000 3/19968 390.0 1.663 2.430 1.064 0.000 0.000 0.000 3/19968 400.0 1.621 2.367 1.036 0.000 0.000 0.000 3/19968 410.0 1.580 2.308 1.011 0.000 0.000 0.000 3/19968 420.0 1.542 2.252 0.986 0.000 0.000 0.000 3/19968 430.0 1.505 2.199 0.963 0.000 0.000 0.000 3/19968 440.0 1.471 2.148 0.941 0.000 0.000 0.000 3/19968 450.0 1.437 2.099 0.919 0.000 0.000 0.000 3/19968 460.0 1.405 2.052 0.899 0.000 0.000 0.000 3/19968 470.0 1.375 2.008 0.880 0.000 0.000 0.000 3/19968 480.0 1.346 1.965 0.861 0.000 0.000 0.000 3/19968 490.0 1.318 1.925 0.843 0.000 0.000 0.000 3/19968 500.0 1.291 1.885 0.826 0.000 0.000 0.000 3/19968 510.0 1.266 1.848 0.810 0.000 0.000 0.000 3/19968 520.0 1.241 1.812 0.794 0.000 0.000 0.000 3/19968 530.0 1.217 1.777 0.779 0.000 0.000 0.000 3/19968 540.0 1.195 1.744 0.764 0.000 0.000 0.000 3/19968 550.0 1.173 1.712 0.750 0.000 0.000 0.000 3/19968 560.0 1.151 1.681 0.737 0.000 0.000 0.000 3/19968 570.0 1.131 1.651 0.724 0.000 0.000 0.000 3/19968 580.0 1.111 1.622 0.711 0.000 0.000 0.000 3/19968 590.0 1.092 1.594 0.699 0.000 0.000 0.000 3/19968 600.0 1.074 1.568 0.687 0.000 0.000 0.000 3/19968 610.0 1.056 1.542 0.676 0.000 0.000 0.000 3/19968 620.0 1.039 1.516 0.665 0.000 0.000 0.000 3/19968 630.0 1.022 1.492 0.654 0.000 0.000 0.000 3/19968 640.0 1.006 1.469 0.644 0.000 0.000 0.000 3/19968 650.0 0.991 1.446 0.634 0.000 0.000 0.000 3/19968 660.0 0.976 1.424 0.624 0.000 0.000 0.000 3/19968 670.0 0.961 1.402 0.615 0.000 0.000 0.000 3/19968 680.0 0.947 1.382 0.606 0.000 0.000 0.000 3/19968 690.0 0.933 1.361 0.597 0.000 0.000 0.000 3/19968 700.0 0.919 1.342 0.588 0.000 0.000 0.000 3/19968 710.0 0.906 1.323 0.580 0.000 0.000 0.000 3/19968 720.0 0.894 1.304 0.572 0.000 0.000 0.000 3/19968 730.0 0.881 1.286 0.564 0.000 0.000 0.000 3/19968 740.0 0.869 1.269 0.556 0.000 0.000 0.000 3/19968 750.0 0.858 1.252 0.549 0.000 0.000 0.000 3/19968 760.0 0.846 1.235 0.542 0.000 0.000 0.000 3/19968 770.0 0.835 1.219 0.535 0.000 0.000 0.000 3/19968 780.0 0.825 1.203 0.528 0.000 0.000 0.000 3/19968 790.0 0.814 1.188 0.521 0.000 0.000 0.000 3/19968 800.0 0.804 1.173 0.515 0.000 0.000 0.000 3/19968 810.0 0.794 1.159 0.508 0.000 0.000 0.000 3/19968 820.0 0.784 1.144 0.502 0.000 0.000 0.000 3/19968 830.0 0.775 1.131 0.496 0.000 0.000 0.000 3/19968 840.0 0.765 1.117 0.490 0.000 0.000 0.000 3/19968 850.0 0.756 1.104 0.484 0.000 0.000 0.000 3/19968 860.0 0.748 1.091 0.479 0.000 0.000 0.000 3/19968 870.0 0.739 1.078 0.473 0.000 0.000 0.000 3/19968 880.0 0.731 1.066 0.468 0.000 0.000 0.000 3/19968 890.0 0.722 1.054 0.462 0.000 0.000 0.000 3/19968 900.0 0.714 1.042 0.457 0.000 0.000 0.000 3/19968 910.0 0.706 1.031 0.452 0.000 0.000 0.000 3/19968 920.0 0.699 1.019 0.447 0.000 0.000 0.000 3/19968 930.0 0.691 1.008 0.442 0.000 0.000 0.000 3/19968 940.0 0.684 0.998 0.438 0.000 0.000 0.000 3/19968 950.0 0.677 0.987 0.433 0.000 0.000 0.000 3/19968 960.0 0.670 0.977 0.429 0.000 0.000 0.000 3/19968 970.0 0.663 0.967 0.424 0.000 0.000 0.000 3/19968 980.0 0.656 0.957 0.420 0.000 0.000 0.000 3/19968 990.0 0.649 0.947 0.416 0.000 0.000 0.000 3/19968 1000.0 0.643 0.938 0.411 0.000 0.000 0.000 3/19968 Thermal conductivity related properties were written into "kappa-m8134.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:14:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|