----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 17:37:34]------------------------- 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: P2_1/m (11) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.971091211785749 0.000000000000000 0.000000000000000 b 0.000000000000000 4.087825540000000 0.000000000000000 c -4.183374299008482 0.000000000000000 11.711356479412929 Atomic positions (fractional): *1 Tl 0.31675367244652 0.75000000000000 0.86113934244864 204.383 *2 Tl 0.94646459745171 0.75000000000000 0.64138074167833 204.383 3 Tl 0.68324632755348 0.25000000000000 0.13886065755136 204.383 4 Tl 0.05353540254829 0.25000000000000 0.35861925832167 204.383 *5 Sb 0.81569222472682 0.75000000000000 0.88414310467329 121.760 6 Sb 0.18430777527318 0.25000000000000 0.11585689532671 121.760 *7 Sb 0.42310994651886 0.75000000000000 0.61595767239334 121.760 8 Sb 0.57689005348114 0.25000000000000 0.38404232760666 121.760 *9 Se 0.93790304014254 0.75000000000000 0.10654091453648 78.960 *10 Se 0.65455365228995 0.25000000000000 0.60736214737559 78.960 11 Se 0.34544634771005 0.75000000000000 0.39263785262441 78.960 *12 Se 0.20566184221864 0.25000000000000 0.61142343482063 78.960 *13 Se 0.60307432309412 0.25000000000000 0.87881112778339 78.960 14 Se 0.79433815778136 0.75000000000000 0.38857656517937 78.960 15 Se 0.06209695985746 0.25000000000000 0.89345908546352 78.960 16 Se 0.39692567690588 0.75000000000000 0.12118887221661 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.971091211785749 0.000000000000000 0.000000000000000 b 0.000000000000000 4.087825540000000 0.000000000000000 c -4.183374299008482 0.000000000000000 11.711356479412929 Atomic positions (fractional): *1 Tl 0.31675367244652 0.75000000000000 0.86113934244864 204.383 > 1 *2 Tl 0.94646459745171 0.75000000000000 0.64138074167833 204.383 > 2 3 Tl 0.68324632755348 0.25000000000000 0.13886065755136 204.383 > 3 4 Tl 0.05353540254829 0.25000000000000 0.35861925832167 204.383 > 4 *5 Sb 0.81569222472682 0.75000000000000 0.88414310467329 121.760 > 5 6 Sb 0.18430777527318 0.25000000000000 0.11585689532671 121.760 > 6 *7 Sb 0.42310994651886 0.75000000000000 0.61595767239334 121.760 > 7 8 Sb 0.57689005348114 0.25000000000000 0.38404232760666 121.760 > 8 *9 Se 0.93790304014254 0.75000000000000 0.10654091453648 78.960 > 9 *10 Se 0.65455365228995 0.25000000000000 0.60736214737559 78.960 > 10 11 Se 0.34544634771005 0.75000000000000 0.39263785262441 78.960 > 11 *12 Se 0.20566184221864 0.25000000000000 0.61142343482063 78.960 > 12 *13 Se 0.60307432309412 0.25000000000000 0.87881112778339 78.960 > 13 14 Se 0.79433815778136 0.75000000000000 0.38857656517937 78.960 > 14 15 Se 0.06209695985746 0.25000000000000 0.89345908546352 78.960 > 15 16 Se 0.39692567690588 0.75000000000000 0.12118887221661 78.960 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.942182423571499 0.000000000000000 0.000000000000000 b 0.000000000000000 16.351302159999999 0.000000000000000 c -4.183374299008482 0.000000000000000 11.711356479412929 Atomic positions (fractional): *1 Tl 0.15837683622326 0.18750000000000 0.86113934244864 204.383 > 1 2 Tl 0.65837683622326 0.18750000000000 0.86113934244864 204.383 > 1 3 Tl 0.15837683622326 0.43750000000000 0.86113934244864 204.383 > 1 4 Tl 0.65837683622326 0.43750000000000 0.86113934244864 204.383 > 1 5 Tl 0.15837683622326 0.68750000000000 0.86113934244864 204.383 > 1 6 Tl 0.65837683622326 0.68750000000000 0.86113934244864 204.383 > 1 7 Tl 0.15837683622326 0.93750000000000 0.86113934244864 204.383 > 1 8 Tl 0.65837683622326 0.93750000000000 0.86113934244864 204.383 > 1 *9 Tl 0.47323229872585 0.18750000000000 0.64138074167833 204.383 > 2 10 Tl 0.97323229872585 0.18750000000000 0.64138074167833 204.383 > 2 11 Tl 0.47323229872585 0.43750000000000 0.64138074167833 204.383 > 2 12 Tl 0.97323229872585 0.43750000000000 0.64138074167833 204.383 > 2 13 Tl 0.47323229872585 0.68750000000000 0.64138074167833 204.383 > 2 14 Tl 0.97323229872585 0.68750000000000 0.64138074167833 204.383 > 2 15 Tl 0.47323229872585 0.93750000000000 0.64138074167833 204.383 > 2 16 Tl 0.97323229872585 0.93750000000000 0.64138074167833 204.383 > 2 17 Tl 0.34162316377674 0.06250000000000 0.13886065755136 204.383 > 3 18 Tl 0.84162316377674 0.06250000000000 0.13886065755136 204.383 > 3 19 Tl 0.34162316377674 0.31250000000000 0.13886065755136 204.383 > 3 20 Tl 0.84162316377674 0.31250000000000 0.13886065755136 204.383 > 3 21 Tl 0.34162316377674 0.56250000000000 0.13886065755136 204.383 > 3 22 Tl 0.84162316377674 0.56250000000000 0.13886065755136 204.383 > 3 23 Tl 0.34162316377674 0.81250000000000 0.13886065755136 204.383 > 3 24 Tl 0.84162316377674 0.81250000000000 0.13886065755136 204.383 > 3 25 Tl 0.02676770127415 0.06250000000000 0.35861925832167 204.383 > 4 26 Tl 0.52676770127415 0.06250000000000 0.35861925832167 204.383 > 4 27 Tl 0.02676770127415 0.31250000000000 0.35861925832167 204.383 > 4 28 Tl 0.52676770127415 0.31250000000000 0.35861925832167 204.383 > 4 29 Tl 0.02676770127415 0.56250000000000 0.35861925832167 204.383 > 4 30 Tl 0.52676770127415 0.56250000000000 0.35861925832167 204.383 > 4 31 Tl 0.02676770127415 0.81250000000000 0.35861925832167 204.383 > 4 32 Tl 0.52676770127415 0.81250000000000 0.35861925832167 204.383 > 4 *33 Sb 0.40784611236341 0.18750000000000 0.88414310467329 121.760 > 5 34 Sb 0.90784611236341 0.18750000000000 0.88414310467329 121.760 > 5 35 Sb 0.40784611236341 0.43750000000000 0.88414310467329 121.760 > 5 36 Sb 0.90784611236341 0.43750000000000 0.88414310467329 121.760 > 5 37 Sb 0.40784611236341 0.68750000000000 0.88414310467329 121.760 > 5 38 Sb 0.90784611236341 0.68750000000000 0.88414310467329 121.760 > 5 39 Sb 0.40784611236341 0.93750000000000 0.88414310467329 121.760 > 5 40 Sb 0.90784611236341 0.93750000000000 0.88414310467329 121.760 > 5 41 Sb 0.09215388763659 0.06250000000000 0.11585689532671 121.760 > 6 42 Sb 0.59215388763659 0.06250000000000 0.11585689532671 121.760 > 6 43 Sb 0.09215388763659 0.31250000000000 0.11585689532671 121.760 > 6 44 Sb 0.59215388763659 0.31250000000000 0.11585689532671 121.760 > 6 45 Sb 0.09215388763659 0.56250000000000 0.11585689532671 121.760 > 6 46 Sb 0.59215388763659 0.56250000000000 0.11585689532671 121.760 > 6 47 Sb 0.09215388763659 0.81250000000000 0.11585689532671 121.760 > 6 48 Sb 0.59215388763659 0.81250000000000 0.11585689532671 121.760 > 6 *49 Sb 0.21155497325943 0.18750000000000 0.61595767239334 121.760 > 7 50 Sb 0.71155497325943 0.18750000000000 0.61595767239334 121.760 > 7 51 Sb 0.21155497325943 0.43750000000000 0.61595767239334 121.760 > 7 52 Sb 0.71155497325943 0.43750000000000 0.61595767239334 121.760 > 7 53 Sb 0.21155497325943 0.68750000000000 0.61595767239334 121.760 > 7 54 Sb 0.71155497325943 0.68750000000000 0.61595767239334 121.760 > 7 55 Sb 0.21155497325943 0.93750000000000 0.61595767239334 121.760 > 7 56 Sb 0.71155497325943 0.93750000000000 0.61595767239334 121.760 > 7 57 Sb 0.28844502674057 0.06250000000000 0.38404232760666 121.760 > 8 58 Sb 0.78844502674057 0.06250000000000 0.38404232760666 121.760 > 8 59 Sb 0.28844502674057 0.31250000000000 0.38404232760666 121.760 > 8 60 Sb 0.78844502674057 0.31250000000000 0.38404232760666 121.760 > 8 61 Sb 0.28844502674057 0.56250000000000 0.38404232760666 121.760 > 8 62 Sb 0.78844502674057 0.56250000000000 0.38404232760666 121.760 > 8 63 Sb 0.28844502674057 0.81250000000000 0.38404232760666 121.760 > 8 64 Sb 0.78844502674057 0.81250000000000 0.38404232760666 121.760 > 8 *65 Se 0.46895152007127 0.18750000000000 0.10654091453648 78.960 > 9 66 Se 0.96895152007127 0.18750000000000 0.10654091453648 78.960 > 9 67 Se 0.46895152007127 0.43750000000000 0.10654091453648 78.960 > 9 68 Se 0.96895152007127 0.43750000000000 0.10654091453648 78.960 > 9 69 Se 0.46895152007127 0.68750000000000 0.10654091453648 78.960 > 9 70 Se 0.96895152007127 0.68750000000000 0.10654091453648 78.960 > 9 71 Se 0.46895152007127 0.93750000000000 0.10654091453648 78.960 > 9 72 Se 0.96895152007127 0.93750000000000 0.10654091453648 78.960 > 9 *73 Se 0.32727682614498 0.06250000000000 0.60736214737559 78.960 > 10 74 Se 0.82727682614498 0.06250000000000 0.60736214737559 78.960 > 10 75 Se 0.32727682614498 0.31250000000000 0.60736214737559 78.960 > 10 76 Se 0.82727682614498 0.31250000000000 0.60736214737559 78.960 > 10 77 Se 0.32727682614498 0.56250000000000 0.60736214737559 78.960 > 10 78 Se 0.82727682614498 0.56250000000000 0.60736214737559 78.960 > 10 79 Se 0.32727682614498 0.81250000000000 0.60736214737559 78.960 > 10 80 Se 0.82727682614498 0.81250000000000 0.60736214737559 78.960 > 10 81 Se 0.17272317385502 0.18750000000000 0.39263785262441 78.960 > 11 82 Se 0.67272317385502 0.18750000000000 0.39263785262441 78.960 > 11 83 Se 0.17272317385502 0.43750000000000 0.39263785262441 78.960 > 11 84 Se 0.67272317385502 0.43750000000000 0.39263785262441 78.960 > 11 85 Se 0.17272317385502 0.68750000000000 0.39263785262441 78.960 > 11 86 Se 0.67272317385502 0.68750000000000 0.39263785262441 78.960 > 11 87 Se 0.17272317385502 0.93750000000000 0.39263785262441 78.960 > 11 88 Se 0.67272317385502 0.93750000000000 0.39263785262441 78.960 > 11 *89 Se 0.10283092110932 0.06250000000000 0.61142343482063 78.960 > 12 90 Se 0.60283092110932 0.06250000000000 0.61142343482063 78.960 > 12 91 Se 0.10283092110932 0.31250000000000 0.61142343482063 78.960 > 12 92 Se 0.60283092110932 0.31250000000000 0.61142343482063 78.960 > 12 93 Se 0.10283092110932 0.56250000000000 0.61142343482063 78.960 > 12 94 Se 0.60283092110932 0.56250000000000 0.61142343482063 78.960 > 12 95 Se 0.10283092110932 0.81250000000000 0.61142343482063 78.960 > 12 96 Se 0.60283092110932 0.81250000000000 0.61142343482063 78.960 > 12 *97 Se 0.30153716154706 0.06250000000000 0.87881112778339 78.960 > 13 98 Se 0.80153716154706 0.06250000000000 0.87881112778339 78.960 > 13 99 Se 0.30153716154706 0.31250000000000 0.87881112778339 78.960 > 13 100 Se 0.80153716154706 0.31250000000000 0.87881112778339 78.960 > 13 101 Se 0.30153716154706 0.56250000000000 0.87881112778339 78.960 > 13 102 Se 0.80153716154706 0.56250000000000 0.87881112778339 78.960 > 13 103 Se 0.30153716154706 0.81250000000000 0.87881112778339 78.960 > 13 104 Se 0.80153716154706 0.81250000000000 0.87881112778339 78.960 > 13 105 Se 0.39716907889068 0.18750000000000 0.38857656517937 78.960 > 14 106 Se 0.89716907889068 0.18750000000000 0.38857656517937 78.960 > 14 107 Se 0.39716907889068 0.43750000000000 0.38857656517937 78.960 > 14 108 Se 0.89716907889068 0.43750000000000 0.38857656517937 78.960 > 14 109 Se 0.39716907889068 0.68750000000000 0.38857656517937 78.960 > 14 110 Se 0.89716907889068 0.68750000000000 0.38857656517937 78.960 > 14 111 Se 0.39716907889068 0.93750000000000 0.38857656517937 78.960 > 14 112 Se 0.89716907889068 0.93750000000000 0.38857656517937 78.960 > 14 113 Se 0.03104847992873 0.06250000000000 0.89345908546352 78.960 > 15 114 Se 0.53104847992873 0.06250000000000 0.89345908546352 78.960 > 15 115 Se 0.03104847992873 0.31250000000000 0.89345908546352 78.960 > 15 116 Se 0.53104847992873 0.31250000000000 0.89345908546352 78.960 > 15 117 Se 0.03104847992873 0.56250000000000 0.89345908546352 78.960 > 15 118 Se 0.53104847992873 0.56250000000000 0.89345908546352 78.960 > 15 119 Se 0.03104847992873 0.81250000000000 0.89345908546352 78.960 > 15 120 Se 0.53104847992873 0.81250000000000 0.89345908546352 78.960 > 15 121 Se 0.19846283845294 0.18750000000000 0.12118887221661 78.960 > 16 122 Se 0.69846283845294 0.18750000000000 0.12118887221661 78.960 > 16 123 Se 0.19846283845294 0.43750000000000 0.12118887221661 78.960 > 16 124 Se 0.69846283845294 0.43750000000000 0.12118887221661 78.960 > 16 125 Se 0.19846283845294 0.68750000000000 0.12118887221661 78.960 > 16 126 Se 0.69846283845294 0.68750000000000 0.12118887221661 78.960 > 16 127 Se 0.19846283845294 0.93750000000000 0.12118887221661 78.960 > 16 128 Se 0.69846283845294 0.93750000000000 0.12118887221661 78.960 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 23.4800659 0.0000000 -0.6441913 0.0000000 28.0479219 0.0000000 -0.6441790 0.0000000 18.3018901 -------------------------- Born effective charges -------------------------- 1 Tl 3.3907896 0.0000000 -1.0600791 0.0000000 1.7895921 0.0000000 -0.2355771 0.0000000 2.6564789 2 Tl 3.5380315 0.0000000 0.7012477 0.0000000 1.2901308 0.0000000 0.3490296 0.0000000 2.5430157 3 Tl 3.3907896 0.0000000 -1.0600791 0.0000000 1.7895921 0.0000000 -0.2355771 0.0000000 2.6564789 4 Tl 3.5380315 0.0000000 0.7012477 0.0000000 1.2901308 0.0000000 0.3490296 0.0000000 2.5430157 5 Sb 4.8914434 0.0000000 1.0494712 0.0000000 6.9559458 0.0000000 0.6630109 0.0000000 2.8705087 6 Sb 4.8914434 0.0000000 1.0494712 0.0000000 6.9559458 0.0000000 0.6630109 0.0000000 2.8705087 7 Sb 5.3089763 0.0000000 -0.8186092 0.0000000 7.1642497 0.0000000 -0.6790770 0.0000000 3.0363070 8 Sb 5.3089763 0.0000000 -0.8186092 0.0000000 7.1642497 0.0000000 -0.6790770 0.0000000 3.0363070 9 Se -4.3616158 0.0000000 -0.4527342 0.0000000 -3.5257930 0.0000000 -0.0603260 0.0000000 -2.5565316 10 Se -4.3499154 0.0000000 0.2761616 0.0000000 -3.6548927 0.0000000 -0.0539980 0.0000000 -1.9373168 11 Se -4.3499154 0.0000000 0.2761616 0.0000000 -3.6548927 0.0000000 -0.0539980 0.0000000 -1.9373168 12 Se -4.4361718 0.0000000 -0.1214320 0.0000000 -4.9623050 0.0000000 0.1492355 0.0000000 -3.2550895 13 Se -3.9815379 0.0000000 0.4259740 0.0000000 -5.0569278 0.0000000 -0.1322979 0.0000000 -3.3573724 14 Se -4.4361718 0.0000000 -0.1214320 0.0000000 -4.9623050 0.0000000 0.1492355 0.0000000 -3.2550895 15 Se -4.3616158 0.0000000 -0.4527342 0.0000000 -3.5257930 0.0000000 -0.0603260 0.0000000 -2.5565316 16 Se -3.9815379 0.0000000 0.4259740 0.0000000 -5.0569278 0.0000000 -0.1322979 0.0000000 -3.3573724 ---------------------------------------------------------------------------- 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: 2488 Number of blocks in projector: 2488 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: 640 Use submatrix version of eigh solver. (1) Block: 500 / 640 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 640 / 640 (1) 131 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 360 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 360 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 360 Use standard eigh solver. Tree of FC basis block matrices: - (2488, 2449), data: False |-- (360, 352), data: True |-- (360, 352), data: True |-- (360, 352), data: True |-- (384, 384), data: True |-- (384, 384), data: True |-- (640, 625), data: False |-- (640, 9), data: (640, 24) @ (24, 9) |-- (140, 131), data: True |-- (500, 485), data: False |-- (500, 15), data: (500, 30) @ (30, 15) |-- (250, 235), data: True |-- (250, 235), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 480 - Time: 0.778 Solver_block: 200 / 480 - Time: 0.711 Solver_block: 300 / 480 - Time: 0.718 Solver_block: 400 / 480 - Time: 0.713 Solver_block: 480 / 480 - Time: 0.582 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.599 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) 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: 2488 Number of blocks in projector: 2488 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: 640 Use submatrix version of eigh solver. (1) Block: 500 / 640 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 640 / 640 (1) 131 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 360 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 360 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 360 Use standard eigh solver. Tree of FC basis block matrices: - (2488, 2449), data: False |-- (360, 352), data: True |-- (360, 352), data: True |-- (360, 352), data: True |-- (384, 384), data: True |-- (384, 384), data: True |-- (640, 625), data: False |-- (640, 9), data: (640, 24) @ (24, 9) |-- (140, 131), data: True |-- (500, 485), data: False |-- (500, 15), data: (500, 30) @ (30, 15) |-- (250, 235), data: True |-- (250, 235), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 17:38:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:38:01]------------------------- 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: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.971091211785749 0.000000000000000 0.000000000000000 b 0.000000000000000 4.087825540000000 0.000000000000000 c -4.183374299008482 0.000000000000000 11.711356479412929 Atomic positions (fractional): 1 Tl 0.31675367244652 0.75000000000000 0.86113934244864 204.383 2 Tl 0.94646459745171 0.75000000000000 0.64138074167833 204.383 3 Tl 0.68324632755348 0.25000000000000 0.13886065755136 204.383 4 Tl 0.05353540254829 0.25000000000000 0.35861925832167 204.383 5 Sb 0.81569222472682 0.75000000000000 0.88414310467329 121.760 6 Sb 0.18430777527318 0.25000000000000 0.11585689532671 121.760 7 Sb 0.42310994651886 0.75000000000000 0.61595767239334 121.760 8 Sb 0.57689005348114 0.25000000000000 0.38404232760666 121.760 9 Se 0.93790304014254 0.75000000000000 0.10654091453648 78.960 10 Se 0.65455365228995 0.25000000000000 0.60736214737559 78.960 11 Se 0.34544634771005 0.75000000000000 0.39263785262441 78.960 12 Se 0.20566184221864 0.25000000000000 0.61142343482063 78.960 13 Se 0.60307432309412 0.25000000000000 0.87881112778339 78.960 14 Se 0.79433815778136 0.75000000000000 0.38857656517937 78.960 15 Se 0.06209695985746 0.25000000000000 0.89345908546352 78.960 16 Se 0.39692567690588 0.75000000000000 0.12118887221661 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.942182423571499 0.000000000000000 0.000000000000000 b 0.000000000000000 16.351302159999999 0.000000000000000 c -4.183374299008482 0.000000000000000 11.711356479412929 Atomic positions (fractional): 1 Tl 0.15837683622326 0.18750000000000 0.86113934244864 204.383 > 1 2 Tl 0.65837683622326 0.18750000000000 0.86113934244864 204.383 > 1 3 Tl 0.15837683622326 0.43750000000000 0.86113934244864 204.383 > 1 4 Tl 0.65837683622326 0.43750000000000 0.86113934244864 204.383 > 1 5 Tl 0.15837683622326 0.68750000000000 0.86113934244864 204.383 > 1 6 Tl 0.65837683622326 0.68750000000000 0.86113934244864 204.383 > 1 7 Tl 0.15837683622326 0.93750000000000 0.86113934244864 204.383 > 1 8 Tl 0.65837683622326 0.93750000000000 0.86113934244864 204.383 > 1 9 Tl 0.47323229872585 0.18750000000000 0.64138074167833 204.383 > 9 10 Tl 0.97323229872585 0.18750000000000 0.64138074167833 204.383 > 9 11 Tl 0.47323229872585 0.43750000000000 0.64138074167833 204.383 > 9 12 Tl 0.97323229872585 0.43750000000000 0.64138074167833 204.383 > 9 13 Tl 0.47323229872585 0.68750000000000 0.64138074167833 204.383 > 9 14 Tl 0.97323229872585 0.68750000000000 0.64138074167833 204.383 > 9 15 Tl 0.47323229872585 0.93750000000000 0.64138074167833 204.383 > 9 16 Tl 0.97323229872585 0.93750000000000 0.64138074167833 204.383 > 9 17 Tl 0.34162316377674 0.06250000000000 0.13886065755136 204.383 > 17 18 Tl 0.84162316377674 0.06250000000000 0.13886065755136 204.383 > 17 19 Tl 0.34162316377674 0.31250000000000 0.13886065755136 204.383 > 17 20 Tl 0.84162316377674 0.31250000000000 0.13886065755136 204.383 > 17 21 Tl 0.34162316377674 0.56250000000000 0.13886065755136 204.383 > 17 22 Tl 0.84162316377674 0.56250000000000 0.13886065755136 204.383 > 17 23 Tl 0.34162316377674 0.81250000000000 0.13886065755136 204.383 > 17 24 Tl 0.84162316377674 0.81250000000000 0.13886065755136 204.383 > 17 25 Tl 0.02676770127415 0.06250000000000 0.35861925832167 204.383 > 25 26 Tl 0.52676770127415 0.06250000000000 0.35861925832167 204.383 > 25 27 Tl 0.02676770127415 0.31250000000000 0.35861925832167 204.383 > 25 28 Tl 0.52676770127415 0.31250000000000 0.35861925832167 204.383 > 25 29 Tl 0.02676770127415 0.56250000000000 0.35861925832167 204.383 > 25 30 Tl 0.52676770127415 0.56250000000000 0.35861925832167 204.383 > 25 31 Tl 0.02676770127415 0.81250000000000 0.35861925832167 204.383 > 25 32 Tl 0.52676770127415 0.81250000000000 0.35861925832167 204.383 > 25 33 Sb 0.40784611236341 0.18750000000000 0.88414310467329 121.760 > 33 34 Sb 0.90784611236341 0.18750000000000 0.88414310467329 121.760 > 33 35 Sb 0.40784611236341 0.43750000000000 0.88414310467329 121.760 > 33 36 Sb 0.90784611236341 0.43750000000000 0.88414310467329 121.760 > 33 37 Sb 0.40784611236341 0.68750000000000 0.88414310467329 121.760 > 33 38 Sb 0.90784611236341 0.68750000000000 0.88414310467329 121.760 > 33 39 Sb 0.40784611236341 0.93750000000000 0.88414310467329 121.760 > 33 40 Sb 0.90784611236341 0.93750000000000 0.88414310467329 121.760 > 33 41 Sb 0.09215388763659 0.06250000000000 0.11585689532671 121.760 > 41 42 Sb 0.59215388763659 0.06250000000000 0.11585689532671 121.760 > 41 43 Sb 0.09215388763659 0.31250000000000 0.11585689532671 121.760 > 41 44 Sb 0.59215388763659 0.31250000000000 0.11585689532671 121.760 > 41 45 Sb 0.09215388763659 0.56250000000000 0.11585689532671 121.760 > 41 46 Sb 0.59215388763659 0.56250000000000 0.11585689532671 121.760 > 41 47 Sb 0.09215388763659 0.81250000000000 0.11585689532671 121.760 > 41 48 Sb 0.59215388763659 0.81250000000000 0.11585689532671 121.760 > 41 49 Sb 0.21155497325943 0.18750000000000 0.61595767239334 121.760 > 49 50 Sb 0.71155497325943 0.18750000000000 0.61595767239334 121.760 > 49 51 Sb 0.21155497325943 0.43750000000000 0.61595767239334 121.760 > 49 52 Sb 0.71155497325943 0.43750000000000 0.61595767239334 121.760 > 49 53 Sb 0.21155497325943 0.68750000000000 0.61595767239334 121.760 > 49 54 Sb 0.71155497325943 0.68750000000000 0.61595767239334 121.760 > 49 55 Sb 0.21155497325943 0.93750000000000 0.61595767239334 121.760 > 49 56 Sb 0.71155497325943 0.93750000000000 0.61595767239334 121.760 > 49 57 Sb 0.28844502674057 0.06250000000000 0.38404232760666 121.760 > 57 58 Sb 0.78844502674057 0.06250000000000 0.38404232760666 121.760 > 57 59 Sb 0.28844502674057 0.31250000000000 0.38404232760666 121.760 > 57 60 Sb 0.78844502674057 0.31250000000000 0.38404232760666 121.760 > 57 61 Sb 0.28844502674057 0.56250000000000 0.38404232760666 121.760 > 57 62 Sb 0.78844502674057 0.56250000000000 0.38404232760666 121.760 > 57 63 Sb 0.28844502674057 0.81250000000000 0.38404232760666 121.760 > 57 64 Sb 0.78844502674057 0.81250000000000 0.38404232760666 121.760 > 57 65 Se 0.46895152007127 0.18750000000000 0.10654091453648 78.960 > 65 66 Se 0.96895152007127 0.18750000000000 0.10654091453648 78.960 > 65 67 Se 0.46895152007127 0.43750000000000 0.10654091453648 78.960 > 65 68 Se 0.96895152007127 0.43750000000000 0.10654091453648 78.960 > 65 69 Se 0.46895152007127 0.68750000000000 0.10654091453648 78.960 > 65 70 Se 0.96895152007127 0.68750000000000 0.10654091453648 78.960 > 65 71 Se 0.46895152007127 0.93750000000000 0.10654091453648 78.960 > 65 72 Se 0.96895152007127 0.93750000000000 0.10654091453648 78.960 > 65 73 Se 0.32727682614498 0.06250000000000 0.60736214737559 78.960 > 73 74 Se 0.82727682614498 0.06250000000000 0.60736214737559 78.960 > 73 75 Se 0.32727682614498 0.31250000000000 0.60736214737559 78.960 > 73 76 Se 0.82727682614498 0.31250000000000 0.60736214737559 78.960 > 73 77 Se 0.32727682614498 0.56250000000000 0.60736214737559 78.960 > 73 78 Se 0.82727682614498 0.56250000000000 0.60736214737559 78.960 > 73 79 Se 0.32727682614498 0.81250000000000 0.60736214737559 78.960 > 73 80 Se 0.82727682614498 0.81250000000000 0.60736214737559 78.960 > 73 81 Se 0.17272317385502 0.18750000000000 0.39263785262441 78.960 > 81 82 Se 0.67272317385502 0.18750000000000 0.39263785262441 78.960 > 81 83 Se 0.17272317385502 0.43750000000000 0.39263785262441 78.960 > 81 84 Se 0.67272317385502 0.43750000000000 0.39263785262441 78.960 > 81 85 Se 0.17272317385502 0.68750000000000 0.39263785262441 78.960 > 81 86 Se 0.67272317385502 0.68750000000000 0.39263785262441 78.960 > 81 87 Se 0.17272317385502 0.93750000000000 0.39263785262441 78.960 > 81 88 Se 0.67272317385502 0.93750000000000 0.39263785262441 78.960 > 81 89 Se 0.10283092110932 0.06250000000000 0.61142343482063 78.960 > 89 90 Se 0.60283092110932 0.06250000000000 0.61142343482063 78.960 > 89 91 Se 0.10283092110932 0.31250000000000 0.61142343482063 78.960 > 89 92 Se 0.60283092110932 0.31250000000000 0.61142343482063 78.960 > 89 93 Se 0.10283092110932 0.56250000000000 0.61142343482063 78.960 > 89 94 Se 0.60283092110932 0.56250000000000 0.61142343482063 78.960 > 89 95 Se 0.10283092110932 0.81250000000000 0.61142343482063 78.960 > 89 96 Se 0.60283092110932 0.81250000000000 0.61142343482063 78.960 > 89 97 Se 0.30153716154706 0.06250000000000 0.87881112778339 78.960 > 97 98 Se 0.80153716154706 0.06250000000000 0.87881112778339 78.960 > 97 99 Se 0.30153716154706 0.31250000000000 0.87881112778339 78.960 > 97 100 Se 0.80153716154706 0.31250000000000 0.87881112778339 78.960 > 97 101 Se 0.30153716154706 0.56250000000000 0.87881112778339 78.960 > 97 102 Se 0.80153716154706 0.56250000000000 0.87881112778339 78.960 > 97 103 Se 0.30153716154706 0.81250000000000 0.87881112778339 78.960 > 97 104 Se 0.80153716154706 0.81250000000000 0.87881112778339 78.960 > 97 105 Se 0.39716907889068 0.18750000000000 0.38857656517937 78.960 > 105 106 Se 0.89716907889068 0.18750000000000 0.38857656517937 78.960 > 105 107 Se 0.39716907889068 0.43750000000000 0.38857656517937 78.960 > 105 108 Se 0.89716907889068 0.43750000000000 0.38857656517937 78.960 > 105 109 Se 0.39716907889068 0.68750000000000 0.38857656517937 78.960 > 105 110 Se 0.89716907889068 0.68750000000000 0.38857656517937 78.960 > 105 111 Se 0.39716907889068 0.93750000000000 0.38857656517937 78.960 > 105 112 Se 0.89716907889068 0.93750000000000 0.38857656517937 78.960 > 105 113 Se 0.03104847992873 0.06250000000000 0.89345908546352 78.960 > 113 114 Se 0.53104847992873 0.06250000000000 0.89345908546352 78.960 > 113 115 Se 0.03104847992873 0.31250000000000 0.89345908546352 78.960 > 113 116 Se 0.53104847992873 0.31250000000000 0.89345908546352 78.960 > 113 117 Se 0.03104847992873 0.56250000000000 0.89345908546352 78.960 > 113 118 Se 0.53104847992873 0.56250000000000 0.89345908546352 78.960 > 113 119 Se 0.03104847992873 0.81250000000000 0.89345908546352 78.960 > 113 120 Se 0.53104847992873 0.81250000000000 0.89345908546352 78.960 > 113 121 Se 0.19846283845294 0.18750000000000 0.12118887221661 78.960 > 121 122 Se 0.69846283845294 0.18750000000000 0.12118887221661 78.960 > 121 123 Se 0.19846283845294 0.43750000000000 0.12118887221661 78.960 > 121 124 Se 0.69846283845294 0.43750000000000 0.12118887221661 78.960 > 121 125 Se 0.19846283845294 0.68750000000000 0.12118887221661 78.960 > 121 126 Se 0.69846283845294 0.68750000000000 0.12118887221661 78.960 > 121 127 Se 0.19846283845294 0.93750000000000 0.12118887221661 78.960 > 121 128 Se 0.69846283845294 0.93750000000000 0.12118887221661 78.960 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 23.4800659 0.0000000 -0.6441913 0.0000000 28.0479219 0.0000000 -0.6441790 0.0000000 18.3018901 -------------------------- Born effective charges -------------------------- 1 Tl 3.3907896 0.0000000 -1.0600791 0.0000000 1.7895921 0.0000000 -0.2355771 0.0000000 2.6564789 2 Tl 3.5380315 0.0000000 0.7012477 0.0000000 1.2901308 0.0000000 0.3490296 0.0000000 2.5430157 3 Tl 3.3907896 0.0000000 -1.0600791 0.0000000 1.7895921 0.0000000 -0.2355771 0.0000000 2.6564789 4 Tl 3.5380315 0.0000000 0.7012477 0.0000000 1.2901308 0.0000000 0.3490296 0.0000000 2.5430157 5 Sb 4.8914434 0.0000000 1.0494712 0.0000000 6.9559458 0.0000000 0.6630109 0.0000000 2.8705087 6 Sb 4.8914434 0.0000000 1.0494712 0.0000000 6.9559458 0.0000000 0.6630109 0.0000000 2.8705087 7 Sb 5.3089763 0.0000000 -0.8186092 0.0000000 7.1642497 0.0000000 -0.6790770 0.0000000 3.0363070 8 Sb 5.3089763 0.0000000 -0.8186092 0.0000000 7.1642497 0.0000000 -0.6790770 0.0000000 3.0363070 9 Se -4.3616158 0.0000000 -0.4527342 0.0000000 -3.5257930 0.0000000 -0.0603260 0.0000000 -2.5565316 10 Se -4.3499154 0.0000000 0.2761616 0.0000000 -3.6548927 0.0000000 -0.0539980 0.0000000 -1.9373168 11 Se -4.3499154 0.0000000 0.2761616 0.0000000 -3.6548927 0.0000000 -0.0539980 0.0000000 -1.9373168 12 Se -4.4361718 0.0000000 -0.1214320 0.0000000 -4.9623050 0.0000000 0.1492355 0.0000000 -3.2550895 13 Se -3.9815379 0.0000000 0.4259740 0.0000000 -5.0569278 0.0000000 -0.1322979 0.0000000 -3.3573724 14 Se -4.4361718 0.0000000 -0.1214320 0.0000000 -4.9623050 0.0000000 0.1492355 0.0000000 -3.2550895 15 Se -4.3616158 0.0000000 -0.4527342 0.0000000 -3.5257930 0.0000000 -0.0603260 0.0000000 -2.5565316 16 Se -3.9815379 0.0000000 0.4259740 0.0000000 -5.0569278 0.0000000 -0.1322979 0.0000000 -3.3573724 ---------------------------------------------------------------------------- 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 89, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:38:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:38:32]------------------------- 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: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.971091211785749 0.000000000000000 0.000000000000000 b 0.000000000000000 4.087825540000000 0.000000000000000 c -4.183374299008482 0.000000000000000 11.711356479412929 Atomic positions (fractional): 1 Tl 0.31675367244652 0.75000000000000 0.86113934244864 204.383 2 Tl 0.94646459745171 0.75000000000000 0.64138074167833 204.383 3 Tl 0.68324632755348 0.25000000000000 0.13886065755136 204.383 4 Tl 0.05353540254829 0.25000000000000 0.35861925832167 204.383 5 Sb 0.81569222472682 0.75000000000000 0.88414310467329 121.760 6 Sb 0.18430777527318 0.25000000000000 0.11585689532671 121.760 7 Sb 0.42310994651886 0.75000000000000 0.61595767239334 121.760 8 Sb 0.57689005348114 0.25000000000000 0.38404232760666 121.760 9 Se 0.93790304014254 0.75000000000000 0.10654091453648 78.960 10 Se 0.65455365228995 0.25000000000000 0.60736214737559 78.960 11 Se 0.34544634771005 0.75000000000000 0.39263785262441 78.960 12 Se 0.20566184221864 0.25000000000000 0.61142343482063 78.960 13 Se 0.60307432309412 0.25000000000000 0.87881112778339 78.960 14 Se 0.79433815778136 0.75000000000000 0.38857656517937 78.960 15 Se 0.06209695985746 0.25000000000000 0.89345908546352 78.960 16 Se 0.39692567690588 0.75000000000000 0.12118887221661 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.942182423571499 0.000000000000000 0.000000000000000 b 0.000000000000000 16.351302159999999 0.000000000000000 c -4.183374299008482 0.000000000000000 11.711356479412929 Atomic positions (fractional): 1 Tl 0.15837683622326 0.18750000000000 0.86113934244864 204.383 > 1 2 Tl 0.65837683622326 0.18750000000000 0.86113934244864 204.383 > 1 3 Tl 0.15837683622326 0.43750000000000 0.86113934244864 204.383 > 1 4 Tl 0.65837683622326 0.43750000000000 0.86113934244864 204.383 > 1 5 Tl 0.15837683622326 0.68750000000000 0.86113934244864 204.383 > 1 6 Tl 0.65837683622326 0.68750000000000 0.86113934244864 204.383 > 1 7 Tl 0.15837683622326 0.93750000000000 0.86113934244864 204.383 > 1 8 Tl 0.65837683622326 0.93750000000000 0.86113934244864 204.383 > 1 9 Tl 0.47323229872585 0.18750000000000 0.64138074167833 204.383 > 9 10 Tl 0.97323229872585 0.18750000000000 0.64138074167833 204.383 > 9 11 Tl 0.47323229872585 0.43750000000000 0.64138074167833 204.383 > 9 12 Tl 0.97323229872585 0.43750000000000 0.64138074167833 204.383 > 9 13 Tl 0.47323229872585 0.68750000000000 0.64138074167833 204.383 > 9 14 Tl 0.97323229872585 0.68750000000000 0.64138074167833 204.383 > 9 15 Tl 0.47323229872585 0.93750000000000 0.64138074167833 204.383 > 9 16 Tl 0.97323229872585 0.93750000000000 0.64138074167833 204.383 > 9 17 Tl 0.34162316377674 0.06250000000000 0.13886065755136 204.383 > 17 18 Tl 0.84162316377674 0.06250000000000 0.13886065755136 204.383 > 17 19 Tl 0.34162316377674 0.31250000000000 0.13886065755136 204.383 > 17 20 Tl 0.84162316377674 0.31250000000000 0.13886065755136 204.383 > 17 21 Tl 0.34162316377674 0.56250000000000 0.13886065755136 204.383 > 17 22 Tl 0.84162316377674 0.56250000000000 0.13886065755136 204.383 > 17 23 Tl 0.34162316377674 0.81250000000000 0.13886065755136 204.383 > 17 24 Tl 0.84162316377674 0.81250000000000 0.13886065755136 204.383 > 17 25 Tl 0.02676770127415 0.06250000000000 0.35861925832167 204.383 > 25 26 Tl 0.52676770127415 0.06250000000000 0.35861925832167 204.383 > 25 27 Tl 0.02676770127415 0.31250000000000 0.35861925832167 204.383 > 25 28 Tl 0.52676770127415 0.31250000000000 0.35861925832167 204.383 > 25 29 Tl 0.02676770127415 0.56250000000000 0.35861925832167 204.383 > 25 30 Tl 0.52676770127415 0.56250000000000 0.35861925832167 204.383 > 25 31 Tl 0.02676770127415 0.81250000000000 0.35861925832167 204.383 > 25 32 Tl 0.52676770127415 0.81250000000000 0.35861925832167 204.383 > 25 33 Sb 0.40784611236341 0.18750000000000 0.88414310467329 121.760 > 33 34 Sb 0.90784611236341 0.18750000000000 0.88414310467329 121.760 > 33 35 Sb 0.40784611236341 0.43750000000000 0.88414310467329 121.760 > 33 36 Sb 0.90784611236341 0.43750000000000 0.88414310467329 121.760 > 33 37 Sb 0.40784611236341 0.68750000000000 0.88414310467329 121.760 > 33 38 Sb 0.90784611236341 0.68750000000000 0.88414310467329 121.760 > 33 39 Sb 0.40784611236341 0.93750000000000 0.88414310467329 121.760 > 33 40 Sb 0.90784611236341 0.93750000000000 0.88414310467329 121.760 > 33 41 Sb 0.09215388763659 0.06250000000000 0.11585689532671 121.760 > 41 42 Sb 0.59215388763659 0.06250000000000 0.11585689532671 121.760 > 41 43 Sb 0.09215388763659 0.31250000000000 0.11585689532671 121.760 > 41 44 Sb 0.59215388763659 0.31250000000000 0.11585689532671 121.760 > 41 45 Sb 0.09215388763659 0.56250000000000 0.11585689532671 121.760 > 41 46 Sb 0.59215388763659 0.56250000000000 0.11585689532671 121.760 > 41 47 Sb 0.09215388763659 0.81250000000000 0.11585689532671 121.760 > 41 48 Sb 0.59215388763659 0.81250000000000 0.11585689532671 121.760 > 41 49 Sb 0.21155497325943 0.18750000000000 0.61595767239334 121.760 > 49 50 Sb 0.71155497325943 0.18750000000000 0.61595767239334 121.760 > 49 51 Sb 0.21155497325943 0.43750000000000 0.61595767239334 121.760 > 49 52 Sb 0.71155497325943 0.43750000000000 0.61595767239334 121.760 > 49 53 Sb 0.21155497325943 0.68750000000000 0.61595767239334 121.760 > 49 54 Sb 0.71155497325943 0.68750000000000 0.61595767239334 121.760 > 49 55 Sb 0.21155497325943 0.93750000000000 0.61595767239334 121.760 > 49 56 Sb 0.71155497325943 0.93750000000000 0.61595767239334 121.760 > 49 57 Sb 0.28844502674057 0.06250000000000 0.38404232760666 121.760 > 57 58 Sb 0.78844502674057 0.06250000000000 0.38404232760666 121.760 > 57 59 Sb 0.28844502674057 0.31250000000000 0.38404232760666 121.760 > 57 60 Sb 0.78844502674057 0.31250000000000 0.38404232760666 121.760 > 57 61 Sb 0.28844502674057 0.56250000000000 0.38404232760666 121.760 > 57 62 Sb 0.78844502674057 0.56250000000000 0.38404232760666 121.760 > 57 63 Sb 0.28844502674057 0.81250000000000 0.38404232760666 121.760 > 57 64 Sb 0.78844502674057 0.81250000000000 0.38404232760666 121.760 > 57 65 Se 0.46895152007127 0.18750000000000 0.10654091453648 78.960 > 65 66 Se 0.96895152007127 0.18750000000000 0.10654091453648 78.960 > 65 67 Se 0.46895152007127 0.43750000000000 0.10654091453648 78.960 > 65 68 Se 0.96895152007127 0.43750000000000 0.10654091453648 78.960 > 65 69 Se 0.46895152007127 0.68750000000000 0.10654091453648 78.960 > 65 70 Se 0.96895152007127 0.68750000000000 0.10654091453648 78.960 > 65 71 Se 0.46895152007127 0.93750000000000 0.10654091453648 78.960 > 65 72 Se 0.96895152007127 0.93750000000000 0.10654091453648 78.960 > 65 73 Se 0.32727682614498 0.06250000000000 0.60736214737559 78.960 > 73 74 Se 0.82727682614498 0.06250000000000 0.60736214737559 78.960 > 73 75 Se 0.32727682614498 0.31250000000000 0.60736214737559 78.960 > 73 76 Se 0.82727682614498 0.31250000000000 0.60736214737559 78.960 > 73 77 Se 0.32727682614498 0.56250000000000 0.60736214737559 78.960 > 73 78 Se 0.82727682614498 0.56250000000000 0.60736214737559 78.960 > 73 79 Se 0.32727682614498 0.81250000000000 0.60736214737559 78.960 > 73 80 Se 0.82727682614498 0.81250000000000 0.60736214737559 78.960 > 73 81 Se 0.17272317385502 0.18750000000000 0.39263785262441 78.960 > 81 82 Se 0.67272317385502 0.18750000000000 0.39263785262441 78.960 > 81 83 Se 0.17272317385502 0.43750000000000 0.39263785262441 78.960 > 81 84 Se 0.67272317385502 0.43750000000000 0.39263785262441 78.960 > 81 85 Se 0.17272317385502 0.68750000000000 0.39263785262441 78.960 > 81 86 Se 0.67272317385502 0.68750000000000 0.39263785262441 78.960 > 81 87 Se 0.17272317385502 0.93750000000000 0.39263785262441 78.960 > 81 88 Se 0.67272317385502 0.93750000000000 0.39263785262441 78.960 > 81 89 Se 0.10283092110932 0.06250000000000 0.61142343482063 78.960 > 89 90 Se 0.60283092110932 0.06250000000000 0.61142343482063 78.960 > 89 91 Se 0.10283092110932 0.31250000000000 0.61142343482063 78.960 > 89 92 Se 0.60283092110932 0.31250000000000 0.61142343482063 78.960 > 89 93 Se 0.10283092110932 0.56250000000000 0.61142343482063 78.960 > 89 94 Se 0.60283092110932 0.56250000000000 0.61142343482063 78.960 > 89 95 Se 0.10283092110932 0.81250000000000 0.61142343482063 78.960 > 89 96 Se 0.60283092110932 0.81250000000000 0.61142343482063 78.960 > 89 97 Se 0.30153716154706 0.06250000000000 0.87881112778339 78.960 > 97 98 Se 0.80153716154706 0.06250000000000 0.87881112778339 78.960 > 97 99 Se 0.30153716154706 0.31250000000000 0.87881112778339 78.960 > 97 100 Se 0.80153716154706 0.31250000000000 0.87881112778339 78.960 > 97 101 Se 0.30153716154706 0.56250000000000 0.87881112778339 78.960 > 97 102 Se 0.80153716154706 0.56250000000000 0.87881112778339 78.960 > 97 103 Se 0.30153716154706 0.81250000000000 0.87881112778339 78.960 > 97 104 Se 0.80153716154706 0.81250000000000 0.87881112778339 78.960 > 97 105 Se 0.39716907889068 0.18750000000000 0.38857656517937 78.960 > 105 106 Se 0.89716907889068 0.18750000000000 0.38857656517937 78.960 > 105 107 Se 0.39716907889068 0.43750000000000 0.38857656517937 78.960 > 105 108 Se 0.89716907889068 0.43750000000000 0.38857656517937 78.960 > 105 109 Se 0.39716907889068 0.68750000000000 0.38857656517937 78.960 > 105 110 Se 0.89716907889068 0.68750000000000 0.38857656517937 78.960 > 105 111 Se 0.39716907889068 0.93750000000000 0.38857656517937 78.960 > 105 112 Se 0.89716907889068 0.93750000000000 0.38857656517937 78.960 > 105 113 Se 0.03104847992873 0.06250000000000 0.89345908546352 78.960 > 113 114 Se 0.53104847992873 0.06250000000000 0.89345908546352 78.960 > 113 115 Se 0.03104847992873 0.31250000000000 0.89345908546352 78.960 > 113 116 Se 0.53104847992873 0.31250000000000 0.89345908546352 78.960 > 113 117 Se 0.03104847992873 0.56250000000000 0.89345908546352 78.960 > 113 118 Se 0.53104847992873 0.56250000000000 0.89345908546352 78.960 > 113 119 Se 0.03104847992873 0.81250000000000 0.89345908546352 78.960 > 113 120 Se 0.53104847992873 0.81250000000000 0.89345908546352 78.960 > 113 121 Se 0.19846283845294 0.18750000000000 0.12118887221661 78.960 > 121 122 Se 0.69846283845294 0.18750000000000 0.12118887221661 78.960 > 121 123 Se 0.19846283845294 0.43750000000000 0.12118887221661 78.960 > 121 124 Se 0.69846283845294 0.43750000000000 0.12118887221661 78.960 > 121 125 Se 0.19846283845294 0.68750000000000 0.12118887221661 78.960 > 121 126 Se 0.69846283845294 0.68750000000000 0.12118887221661 78.960 > 121 127 Se 0.19846283845294 0.93750000000000 0.12118887221661 78.960 > 121 128 Se 0.69846283845294 0.93750000000000 0.12118887221661 78.960 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 23.4800659 0.0000000 -0.6441913 0.0000000 28.0479219 0.0000000 -0.6441790 0.0000000 18.3018901 -------------------------- Born effective charges -------------------------- 1 Tl 3.3907896 0.0000000 -1.0600791 0.0000000 1.7895921 0.0000000 -0.2355771 0.0000000 2.6564789 2 Tl 3.5380315 0.0000000 0.7012477 0.0000000 1.2901308 0.0000000 0.3490296 0.0000000 2.5430157 3 Tl 3.3907896 0.0000000 -1.0600791 0.0000000 1.7895921 0.0000000 -0.2355771 0.0000000 2.6564789 4 Tl 3.5380315 0.0000000 0.7012477 0.0000000 1.2901308 0.0000000 0.3490296 0.0000000 2.5430157 5 Sb 4.8914434 0.0000000 1.0494712 0.0000000 6.9559458 0.0000000 0.6630109 0.0000000 2.8705087 6 Sb 4.8914434 0.0000000 1.0494712 0.0000000 6.9559458 0.0000000 0.6630109 0.0000000 2.8705087 7 Sb 5.3089763 0.0000000 -0.8186092 0.0000000 7.1642497 0.0000000 -0.6790770 0.0000000 3.0363070 8 Sb 5.3089763 0.0000000 -0.8186092 0.0000000 7.1642497 0.0000000 -0.6790770 0.0000000 3.0363070 9 Se -4.3616158 0.0000000 -0.4527342 0.0000000 -3.5257930 0.0000000 -0.0603260 0.0000000 -2.5565316 10 Se -4.3499154 0.0000000 0.2761616 0.0000000 -3.6548927 0.0000000 -0.0539980 0.0000000 -1.9373168 11 Se -4.3499154 0.0000000 0.2761616 0.0000000 -3.6548927 0.0000000 -0.0539980 0.0000000 -1.9373168 12 Se -4.4361718 0.0000000 -0.1214320 0.0000000 -4.9623050 0.0000000 0.1492355 0.0000000 -3.2550895 13 Se -3.9815379 0.0000000 0.4259740 0.0000000 -5.0569278 0.0000000 -0.1322979 0.0000000 -3.3573724 14 Se -4.4361718 0.0000000 -0.1214320 0.0000000 -4.9623050 0.0000000 0.1492355 0.0000000 -3.2550895 15 Se -4.3616158 0.0000000 -0.4527342 0.0000000 -3.5257930 0.0000000 -0.0603260 0.0000000 -2.5565316 16 Se -3.9815379 0.0000000 0.4259740 0.0000000 -5.0569278 0.0000000 -0.1322979 0.0000000 -3.3573724 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 12 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: 0.55, Number of G-points: 305, Lambda: 0.28 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/98) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 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 0.408 ( 0.000 0.000 0.000) 0.000 0.614 ( 0.000 0.000 0.000) 0.000 0.871 ( 0.000 0.000 0.000) 0.000 0.903 ( 0.000 0.000 0.000) 0.000 0.917 ( 0.000 0.000 0.000) 0.000 1.106 ( 0.000 0.000 0.000) 0.000 1.213 ( 0.000 0.000 0.000) 0.000 1.215 ( 0.000 0.000 0.000) 0.000 1.295 ( 0.000 0.000 0.000) 0.000 1.351 ( 0.000 0.000 0.000) 0.000 1.352 ( 0.000 0.000 0.000) 0.000 1.356 ( 0.000 0.000 0.000) 0.000 1.413 ( 0.000 0.000 0.000) 0.000 1.510 ( 0.000 0.000 0.000) 0.000 1.553 ( 0.000 0.000 0.000) 0.000 1.584 ( 0.000 0.000 0.000) 0.000 1.824 ( 0.000 0.000 0.000) 0.000 1.838 ( 0.000 0.000 0.000) 0.000 1.917 ( 0.000 0.000 0.000) 0.000 1.931 ( 0.000 0.000 0.000) 0.000 2.195 ( 0.000 0.000 0.000) 0.000 2.659 ( 0.000 0.000 0.000) 0.000 2.672 ( 0.000 0.000 0.000) 0.000 2.765 ( 0.000 0.000 0.000) 0.000 2.987 ( 0.000 0.000 0.000) 0.000 2.988 ( 0.000 0.000 0.000) 0.000 3.068 ( 0.000 0.000 0.000) 0.000 3.187 ( 0.000 0.000 0.000) 0.000 3.245 ( 0.000 0.000 0.000) 0.000 3.683 ( 0.000 0.000 0.000) 0.000 3.759 ( 0.000 0.000 0.000) 0.000 3.813 ( 0.000 0.000 0.000) 0.000 3.823 ( 0.000 0.000 0.000) 0.000 3.847 ( 0.000 0.000 0.000) 0.000 3.917 ( 0.000 0.000 0.000) 0.000 4.010 ( 0.000 0.000 0.000) 0.000 4.089 ( 0.000 0.000 0.000) 0.000 4.229 ( 0.000 0.000 0.000) 0.000 4.534 ( 0.000 0.000 0.000) 0.000 4.733 ( 0.000 0.000 0.000) 0.000 4.965 ( 0.000 0.000 0.000) 0.000 5.916 ( 0.000 0.000 0.000) 0.000 5.971 ( 0.000 0.000 0.000) 0.000 6.000 ( 0.000 0.000 0.000) 0.000 6.329 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/98) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.223 ( 7.205 0.000 16.047) 17.590 0.435 ( 20.384 0.000 0.849) 20.402 0.531 ( 26.403 0.000 3.331) 26.613 0.542 ( 12.186 0.000 0.184) 12.188 0.734 ( 10.697 0.000 -2.586) 11.006 0.915 ( 4.419 0.000 -0.033) 4.419 0.957 ( 4.334 0.000 -0.307) 4.345 0.964 ( 4.609 0.000 -0.064) 4.609 1.097 ( -1.535 0.000 1.261) 1.987 1.165 ( -6.124 0.000 3.159) 6.891 1.222 ( 1.716 0.000 -2.899) 3.369 1.265 ( -3.223 0.000 -0.493) 3.261 1.325 ( -3.399 0.000 0.044) 3.399 1.336 ( -0.085 0.000 -3.237) 3.238 1.388 ( -2.405 0.000 0.115) 2.408 1.458 ( 3.952 0.000 2.486) 4.669 1.490 ( -1.931 0.000 0.193) 1.940 1.603 ( 5.129 0.000 -3.837) 6.405 1.736 ( -1.393 0.000 1.563) 2.094 1.809 ( -2.927 0.000 0.197) 2.933 2.002 ( 5.386 0.000 0.457) 5.405 2.146 ( 20.526 0.000 1.209) 20.562 2.224 ( -1.511 0.000 -14.752) 14.829 2.366 ( 17.222 0.000 -1.573) 17.294 2.551 ( -6.101 0.000 0.506) 6.122 2.710 ( -2.890 0.000 3.097) 4.236 2.797 ( 0.274 0.000 4.135) 4.144 2.956 ( -1.425 0.000 -2.791) 3.134 3.002 ( -3.020 0.000 -0.541) 3.068 3.037 ( 4.877 0.000 -0.067) 4.877 3.214 ( 2.466 0.000 0.233) 2.477 3.318 ( 2.874 0.000 2.117) 3.569 3.691 ( 0.813 0.000 0.142) 0.825 3.751 ( -0.497 0.000 0.120) 0.512 3.829 ( 2.505 0.000 -1.225) 2.788 3.844 ( 1.726 0.000 -0.344) 1.760 3.938 ( 1.338 0.000 0.170) 1.349 3.981 ( -0.825 0.000 1.151) 1.417 4.037 ( 1.275 0.000 -1.486) 1.958 4.120 ( -2.547 0.000 -0.387) 2.576 4.489 ( 9.561 0.000 -4.499) 10.567 4.799 ( 5.297 0.000 0.417) 5.313 5.006 ( 3.983 0.000 -0.627) 4.032 5.199 ( 8.412 0.000 -16.006) 18.082 5.914 ( -0.188 0.000 0.119) 0.222 5.960 ( -1.199 0.000 0.519) 1.307 6.037 ( -1.932 0.000 7.574) 7.817 6.318 ( -2.783 0.000 1.879) 3.358 ======================= Grid point 2 (3/98) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( 9.806 0.000 12.315) 15.742 0.762 ( 14.783 0.000 0.023) 14.783 0.794 ( 13.578 0.000 0.282) 13.581 0.879 ( 5.395 0.000 -2.915) 6.133 0.934 ( -5.010 0.000 -5.465) 7.414 1.003 ( 20.108 0.000 2.802) 20.302 1.011 ( 5.016 0.000 0.028) 5.016 1.039 ( -4.031 0.000 5.126) 6.522 1.058 ( 4.494 0.000 -0.124) 4.495 1.168 ( -6.976 0.000 -0.008) 6.976 1.190 ( 3.889 0.000 5.380) 6.639 1.221 ( -7.441 0.000 -0.161) 7.443 1.250 ( 2.672 0.000 -4.226) 5.000 1.324 ( 4.290 0.000 -5.222) 6.758 1.340 ( -2.484 0.000 -0.084) 2.485 1.452 ( -1.977 0.000 0.159) 1.984 1.540 ( 0.544 0.000 -0.527) 0.757 1.626 ( -3.732 0.000 1.394) 3.983 1.725 ( 0.287 0.000 0.168) 0.332 1.805 ( 5.218 0.000 -2.576) 5.819 2.045 ( -1.012 0.000 -0.017) 1.012 2.080 ( -6.444 0.000 -3.546) 7.356 2.458 ( -3.549 0.000 -0.789) 3.636 2.564 ( 19.345 0.000 0.799) 19.362 2.662 ( -3.028 0.000 1.649) 3.448 2.721 ( 19.230 0.000 -1.204) 19.268 2.769 ( -3.132 0.000 0.713) 3.212 2.949 ( -1.803 0.000 0.495) 1.870 2.977 ( 2.420 0.000 -0.324) 2.442 3.138 ( 5.184 0.000 -0.033) 5.184 3.257 ( 1.149 0.000 0.358) 1.204 3.335 ( -1.227 0.000 0.268) 1.256 3.712 ( 1.311 0.000 -0.096) 1.314 3.748 ( -0.116 0.000 0.401) 0.417 3.861 ( 0.055 0.000 -0.253) 0.259 3.889 ( 3.865 0.000 -0.158) 3.868 3.940 ( -1.340 0.000 -0.014) 1.340 3.985 ( 0.312 0.000 -0.438) 0.537 4.050 ( 0.165 0.000 0.274) 0.320 4.088 ( 0.517 0.000 -1.503) 1.589 4.668 ( 10.050 0.000 -0.377) 10.057 4.879 ( 2.309 0.000 -0.081) 2.310 5.073 ( 3.088 0.000 -0.944) 3.229 5.252 ( 4.509 0.000 -5.656) 7.234 5.913 ( 0.146 0.000 -0.083) 0.168 5.939 ( -1.390 0.000 0.719) 1.565 6.057 ( 0.119 0.000 2.949) 2.951 6.272 ( -2.591 0.000 0.475) 2.634 ======================= Grid point 3 (4/98) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( -0.000 0.000 -0.000) 0.000 0.736 ( 0.000 0.000 0.000) 0.000 0.915 ( 0.000 0.000 -0.000) 0.000 0.989 ( -0.000 0.000 0.000) 0.000 0.994 ( 0.000 0.000 0.000) 0.000 1.019 ( -0.000 0.000 0.000) 0.000 1.031 ( 0.000 0.000 0.000) 0.000 1.037 ( 0.000 0.000 0.000) 0.000 1.088 ( 0.000 0.000 0.000) 0.000 1.124 ( 0.000 0.000 0.000) 0.000 1.199 ( -0.000 0.000 0.000) 0.000 1.215 ( 0.000 0.000 0.000) 0.000 1.312 ( 0.000 0.000 0.000) 0.000 1.393 ( -0.000 0.000 -0.000) 0.000 1.396 ( 0.000 0.000 0.000) 0.000 1.431 ( 0.000 0.000 0.000) 0.000 1.440 ( 0.000 0.000 0.000) 0.000 1.539 ( 0.000 0.000 -0.000) 0.000 1.755 ( 0.000 0.000 0.000) 0.000 1.879 ( 0.000 0.000 0.000) 0.000 1.986 ( -0.000 0.000 0.000) 0.000 2.016 ( 0.000 0.000 0.000) 0.000 2.420 ( 0.000 0.000 0.000) 0.000 2.638 ( 0.000 0.000 0.000) 0.000 2.739 ( 0.000 0.000 0.000) 0.000 2.760 ( 0.000 0.000 0.000) 0.000 2.928 ( 0.000 0.000 0.000) 0.000 2.933 ( 0.000 0.000 0.000) 0.000 3.008 ( 0.000 0.000 0.000) 0.000 3.198 ( -0.000 0.000 0.000) 0.000 3.255 ( -0.000 0.000 0.000) 0.000 3.317 ( 0.000 0.000 0.000) 0.000 3.728 ( 0.000 0.000 0.000) 0.000 3.747 ( 0.000 0.000 0.000) 0.000 3.855 ( 0.000 0.000 0.000) 0.000 3.916 ( 0.000 0.000 0.000) 0.000 3.935 ( 0.000 0.000 0.000) 0.000 3.981 ( 0.000 0.000 0.000) 0.000 4.047 ( 0.000 0.000 0.000) 0.000 4.099 ( 0.000 0.000 0.000) 0.000 4.788 ( 0.000 0.000 0.000) 0.000 4.883 ( 0.000 0.000 0.000) 0.000 5.098 ( 0.000 0.000 0.000) 0.000 5.277 ( 0.000 0.000 -0.000) 0.000 5.917 ( -0.000 0.000 0.000) 0.000 5.924 ( 0.000 0.000 -0.000) 0.000 6.071 ( 0.000 0.000 0.000) 0.000 6.246 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/98) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.222 ( 0.000 11.816 0.000) 11.816 0.468 ( 0.000 20.678 0.000) 20.678 0.632 ( 0.000 27.753 0.000) 27.753 0.669 ( 0.000 18.349 0.000) 18.349 0.773 ( 0.000 12.557 0.000) 12.557 0.949 ( 0.000 4.085 0.000) 4.085 1.015 ( 0.000 7.132 0.000) 7.132 1.035 ( 0.000 9.751 0.000) 9.751 1.092 ( 0.000 -1.112 0.000) 1.112 1.222 ( 0.000 0.668 0.000) 0.668 1.230 ( 0.000 0.953 0.000) 0.953 1.321 ( 0.000 0.533 0.000) 0.533 1.356 ( 0.000 -0.116 0.000) 0.116 1.372 ( 0.000 4.834 0.000) 4.834 1.401 ( 0.000 4.647 0.000) 4.647 1.445 ( 0.000 2.578 0.000) 2.578 1.566 ( 0.000 6.786 0.000) 6.786 1.693 ( 0.000 12.956 0.000) 12.956 1.715 ( 0.000 12.149 0.000) 12.149 1.832 ( 0.000 -0.427 0.000) 0.427 1.848 ( 0.000 -1.932 0.000) 1.932 1.893 ( 0.000 7.632 0.000) 7.632 2.588 ( 0.000 12.450 0.000) 12.450 2.615 ( 0.000 -3.616 0.000) 3.616 2.740 ( 0.000 13.221 0.000) 13.221 2.745 ( 0.000 5.695 0.000) 5.695 2.958 ( 0.000 -2.296 0.000) 2.296 2.998 ( 0.000 -2.546 0.000) 2.546 3.071 ( 0.000 2.735 0.000) 2.735 3.228 ( 0.000 10.615 0.000) 10.615 3.419 ( 0.000 10.750 0.000) 10.750 3.545 ( 0.000 2.366 0.000) 2.366 3.743 ( 0.000 -0.954 0.000) 0.954 3.771 ( 0.000 -5.580 0.000) 5.580 3.786 ( 0.000 -1.698 0.000) 1.698 3.822 ( 0.000 -1.621 0.000) 1.621 3.884 ( 0.000 -2.853 0.000) 2.853 3.955 ( 0.000 -5.006 0.000) 5.006 4.043 ( 0.000 -4.553 0.000) 4.553 4.188 ( 0.000 -3.858 0.000) 3.858 4.402 ( 0.000 10.674 0.000) 10.674 4.497 ( 0.000 -3.431 0.000) 3.431 4.681 ( 0.000 -5.144 0.000) 5.144 4.907 ( 0.000 -5.672 0.000) 5.672 5.910 ( 0.000 -0.542 0.000) 0.542 5.965 ( 0.000 -0.420 0.000) 0.420 5.994 ( 0.000 -0.565 0.000) 0.565 6.310 ( 0.000 -1.767 0.000) 1.767 ======================= Grid point 8 (6/98) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.331 ( 5.389 9.042 11.849) 15.849 0.433 ( 5.434 10.925 1.755) 12.327 0.672 ( 2.613 9.455 -0.917) 9.853 0.852 ( 6.811 9.771 -1.270) 11.978 0.911 ( 18.063 19.586 0.077) 26.644 0.966 ( 1.221 1.511 -2.172) 2.914 1.044 ( 1.192 6.884 0.027) 6.987 1.050 ( 3.315 7.272 0.235) 7.995 1.088 ( -2.227 -0.481 2.313) 3.247 1.159 ( -4.219 0.815 3.134) 5.318 1.222 ( 1.072 1.110 -3.634) 3.948 1.291 ( -5.201 1.881 -1.054) 5.630 1.322 ( -1.209 0.564 -1.451) 1.971 1.353 ( -2.110 3.172 -0.521) 3.845 1.419 ( -1.096 2.583 -0.160) 2.810 1.458 ( 2.084 2.068 -0.292) 2.950 1.564 ( 1.123 6.527 0.868) 6.680 1.725 ( 2.282 11.549 0.659) 11.790 1.741 ( 6.147 3.553 -1.917) 7.354 1.816 ( -1.698 0.164 0.926) 1.941 1.858 ( 0.292 6.725 1.295) 6.854 1.964 ( 6.853 0.480 -1.138) 6.963 2.521 ( -3.402 1.860 -2.303) 4.510 2.659 ( 0.189 -2.345 0.017) 2.353 2.774 ( 4.722 20.959 -0.859) 21.501 2.778 ( 1.399 -0.099 3.384) 3.663 2.920 ( -2.450 1.970 -0.943) 3.282 2.973 ( -2.331 -1.242 0.307) 2.659 3.097 ( 2.839 1.257 -1.547) 3.469 3.205 ( -20.459 30.126 -3.414) 36.576 3.259 ( 2.147 9.363 0.067) 9.606 3.444 ( 0.802 8.517 0.944) 8.606 3.662 ( -2.188 -3.663 0.055) 4.267 3.722 ( -1.935 -4.518 -0.484) 4.939 3.757 ( -2.217 -4.489 0.296) 5.015 3.814 ( 2.177 -1.551 -0.585) 2.736 3.882 ( -0.913 -4.571 0.259) 4.668 3.955 ( 0.656 -3.428 1.011) 3.634 4.024 ( 1.485 -1.214 -0.731) 2.053 4.120 ( -1.765 0.080 0.029) 1.767 4.438 ( 8.116 -4.294 -4.487) 10.220 4.716 ( 3.197 -7.835 0.692) 8.491 4.920 ( 7.187 -8.095 -2.552) 11.122 4.958 ( 13.269 -12.672 -2.056) 18.462 5.910 ( 0.089 -0.308 0.051) 0.324 5.956 ( -0.854 -0.206 0.254) 0.914 6.016 ( 0.376 -1.080 3.528) 3.709 6.298 ( -1.632 -1.654 0.639) 2.410 ======================= Grid point 9 (7/98) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( 8.063 4.884 9.558) 13.425 0.651 ( 12.282 -3.853 4.283) 13.567 0.763 ( 7.283 -0.619 -1.465) 7.455 0.899 ( -4.328 -1.051 -3.841) 5.881 0.943 ( -0.113 0.750 -0.426) 0.870 1.011 ( -0.985 0.376 0.066) 1.056 1.073 ( 0.182 1.058 0.311) 1.117 1.093 ( 0.861 2.223 -0.441) 2.425 1.145 ( -5.767 0.066 -2.308) 6.212 1.154 ( -1.415 0.759 3.097) 3.489 1.213 ( 4.594 2.990 2.014) 5.839 1.240 ( 2.061 3.388 -1.310) 4.176 1.266 ( -2.844 5.095 0.359) 5.846 1.362 ( 8.973 6.906 -4.640) 12.237 1.409 ( 0.417 4.562 -0.249) 4.588 1.465 ( 1.611 5.073 -0.671) 5.365 1.638 ( 2.554 3.771 0.425) 4.574 1.743 ( -1.546 11.886 3.181) 12.400 1.780 ( -1.598 1.675 0.398) 2.349 1.850 ( 5.225 7.772 -3.655) 10.053 1.937 ( 5.713 -2.933 1.028) 6.504 2.052 ( 2.155 1.312 -1.331) 2.853 2.458 ( -1.779 1.880 -1.523) 3.003 2.627 ( -2.426 -2.841 0.703) 3.801 2.780 ( -1.853 1.854 0.611) 2.691 2.874 ( 4.170 1.916 0.156) 4.592 2.907 ( 1.334 11.942 -0.305) 12.020 2.919 ( -2.218 1.927 0.189) 2.944 3.035 ( 1.417 17.966 -0.654) 18.034 3.147 ( 2.165 -2.831 0.030) 3.564 3.291 ( 0.588 7.048 0.359) 7.082 3.434 ( -2.042 5.410 0.127) 5.784 3.639 ( -1.426 -11.234 0.209) 11.326 3.679 ( -1.695 -7.411 -0.736) 7.638 3.725 ( -1.085 -3.910 0.250) 4.065 3.803 ( -3.182 -8.547 -0.146) 9.121 3.904 ( 3.594 0.297 -0.203) 3.612 3.995 ( 1.990 -2.778 1.106) 3.591 4.041 ( 0.518 -0.881 -0.346) 1.078 4.091 ( -0.976 0.162 -1.314) 1.645 4.592 ( 8.659 -7.204 -0.382) 11.270 4.771 ( 1.840 -10.269 0.052) 10.433 4.978 ( 2.641 -9.010 -0.435) 9.399 5.111 ( 5.072 -12.397 -4.039) 13.991 5.915 ( 0.398 0.128 -0.028) 0.419 5.940 ( -1.048 0.312 0.464) 1.188 6.044 ( 0.522 -0.962 2.253) 2.505 6.263 ( -2.047 -0.903 0.170) 2.244 ======================= Grid point 10 (8/98) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( -0.000 -0.253 -0.000) 0.253 0.740 ( 0.000 1.257 0.000) 1.257 0.865 ( -0.000 -4.793 0.000) 4.793 0.875 ( 0.000 -3.614 -0.000) 3.614 0.919 ( -0.000 -7.561 0.000) 7.561 0.927 ( 0.000 -3.382 0.000) 3.382 1.034 ( 0.000 1.855 0.000) 1.855 1.083 ( 0.000 -0.093 -0.000) 0.093 1.116 ( 0.000 -0.301 0.000) 0.301 1.168 ( 0.000 -1.636 0.000) 1.636 1.184 ( -0.000 6.381 0.000) 6.381 1.229 ( 0.000 0.392 0.000) 0.392 1.322 ( 0.000 0.716 0.000) 0.716 1.384 ( 0.000 5.768 0.000) 5.768 1.504 ( -0.000 5.897 0.000) 5.897 1.530 ( 0.000 6.646 0.000) 6.646 1.613 ( 0.000 7.066 0.000) 7.066 1.702 ( 0.000 11.981 0.000) 11.981 1.803 ( 0.000 6.132 0.000) 6.132 1.888 ( -0.000 3.744 0.000) 3.744 2.010 ( 0.000 0.838 0.000) 0.838 2.034 ( 0.000 5.297 0.000) 5.297 2.435 ( 0.000 2.232 0.000) 2.232 2.605 ( 0.000 -2.906 0.000) 2.906 2.760 ( 0.000 2.105 0.000) 2.105 2.896 ( 0.000 -1.492 0.000) 1.492 2.918 ( 0.000 -6.239 0.000) 6.239 2.936 ( 0.000 13.615 0.000) 13.615 3.082 ( 0.000 10.682 0.000) 10.682 3.164 ( -0.000 -5.002 0.000) 5.002 3.292 ( 0.000 6.110 0.000) 6.110 3.404 ( 0.000 3.551 0.000) 3.551 3.613 ( 0.000 -16.172 0.000) 16.172 3.669 ( 0.000 -6.352 0.000) 6.352 3.717 ( 0.000 -3.011 0.000) 3.011 3.762 ( -0.000 -10.101 0.000) 10.101 3.948 ( 0.000 1.580 0.000) 1.580 4.016 ( -0.000 -2.355 -0.000) 2.355 4.048 ( -0.000 -1.216 0.000) 1.216 4.072 ( 0.000 -1.213 0.000) 1.213 4.690 ( -0.000 -9.364 -0.000) 9.364 4.780 ( 0.000 -9.921 0.000) 9.921 5.003 ( 0.000 -9.207 0.000) 9.207 5.139 ( 0.000 -12.997 -0.000) 12.997 5.923 ( -0.000 -0.025 0.000) 0.025 5.927 ( 0.000 0.940 0.000) 0.940 6.059 ( 0.000 -0.964 0.000) 0.964 6.241 ( 0.000 -0.508 0.000) 0.508 ======================= Grid point 14 (9/98) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 0.000 9.980 0.000) 9.980 0.829 ( 0.000 14.699 0.000) 14.699 0.954 ( 0.000 7.607 0.000) 7.607 1.003 ( 0.000 8.024 0.000) 8.024 1.036 ( 0.000 2.567 0.000) 2.567 1.066 ( 0.000 12.244 0.000) 12.244 1.095 ( 0.000 4.347 0.000) 4.347 1.125 ( 0.000 3.778 0.000) 3.778 1.167 ( 0.000 3.344 0.000) 3.344 1.242 ( 0.000 0.715 0.000) 0.715 1.253 ( 0.000 3.249 0.000) 3.249 1.348 ( 0.000 0.048 0.000) 0.048 1.369 ( 0.000 3.420 0.000) 3.420 1.503 ( 0.000 7.282 0.000) 7.282 1.505 ( 0.000 3.596 0.000) 3.596 1.605 ( 0.000 15.288 0.000) 15.288 1.728 ( 0.000 6.494 0.000) 6.494 1.814 ( 0.000 -1.315 0.000) 1.315 1.847 ( 0.000 2.474 0.000) 2.474 1.882 ( 0.000 4.486 0.000) 4.486 2.065 ( 0.000 19.818 0.000) 19.818 2.207 ( 0.000 20.754 0.000) 20.754 2.562 ( 0.000 -5.659 0.000) 5.659 2.563 ( 0.000 -1.356 0.000) 1.356 2.748 ( 0.000 0.704 0.000) 0.704 2.868 ( 0.000 -2.013 0.000) 2.013 2.944 ( 0.000 -2.057 0.000) 2.057 3.009 ( 0.000 1.761 0.000) 1.761 3.429 ( 0.000 11.875 0.000) 11.875 3.497 ( 0.000 12.965 0.000) 12.965 3.568 ( 0.000 -7.137 0.000) 7.137 3.592 ( 0.000 2.765 0.000) 2.765 3.606 ( 0.000 -2.760 0.000) 2.760 3.697 ( 0.000 -2.532 0.000) 2.532 3.786 ( 0.000 -1.347 0.000) 1.347 3.798 ( 0.000 -1.074 0.000) 1.074 3.845 ( 0.000 1.238 0.000) 1.238 3.884 ( 0.000 8.703 0.000) 8.703 3.915 ( 0.000 -6.781 0.000) 6.781 4.088 ( 0.000 -5.331 0.000) 5.331 4.408 ( 0.000 -4.876 0.000) 4.876 4.495 ( 0.000 -10.488 0.000) 10.488 4.658 ( 0.000 3.499 0.000) 3.499 4.762 ( 0.000 -2.031 0.000) 2.031 5.897 ( 0.000 -0.546 0.000) 0.546 5.959 ( 0.000 -0.083 0.000) 0.083 5.979 ( 0.000 -0.830 0.000) 0.830 6.261 ( 0.000 -2.857 0.000) 2.857 ======================= Grid point 15 (10/98) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( 4.204 8.297 6.362) 11.269 0.728 ( -6.818 14.791 0.861) 16.309 0.870 ( -5.928 9.041 -1.289) 10.888 0.980 ( -1.130 1.355 -0.900) 1.981 0.996 ( -3.276 2.787 -2.388) 4.919 1.069 ( -2.186 1.683 -0.703) 2.847 1.136 ( -1.220 2.976 0.062) 3.217 1.144 ( -0.784 2.291 0.130) 2.425 1.169 ( 1.473 2.476 0.799) 2.990 1.216 ( 0.172 3.792 2.883) 4.767 1.293 ( 2.203 4.067 0.215) 4.630 1.338 ( -3.805 2.010 -1.698) 4.626 1.350 ( 0.786 2.920 -1.751) 3.494 1.487 ( -0.251 4.271 -0.577) 4.318 1.512 ( 0.445 8.063 -0.795) 8.114 1.624 ( 2.468 15.690 0.145) 15.883 1.693 ( -1.821 4.429 0.972) 4.886 1.806 ( -1.094 1.053 -1.179) 1.923 1.835 ( 1.502 4.283 0.191) 4.543 1.961 ( 4.758 3.311 0.130) 5.798 2.077 ( 1.356 18.443 1.920) 18.592 2.202 ( 0.164 20.368 -1.126) 20.400 2.539 ( -1.339 -0.095 -0.590) 1.466 2.567 ( -0.266 -4.733 -0.187) 4.744 2.763 ( 0.962 -0.505 1.183) 1.606 2.839 ( -1.982 -1.872 -1.530) 3.126 2.932 ( -0.720 -0.056 -0.365) 0.809 3.040 ( 1.652 -0.774 1.733) 2.516 3.383 ( -4.584 11.686 -0.119) 12.553 3.457 ( -7.438 -0.683 -0.314) 7.476 3.512 ( -3.363 -0.921 1.594) 3.834 3.522 ( -7.153 1.335 -0.096) 7.277 3.551 ( -4.642 0.064 -1.658) 4.930 3.634 ( -7.076 0.068 -0.727) 7.114 3.688 ( -5.305 -2.320 -0.250) 5.795 3.797 ( -3.347 2.062 -0.079) 3.932 3.816 ( 2.457 -1.266 0.941) 2.920 3.890 ( 3.143 -1.765 -0.156) 3.608 3.988 ( 2.568 -0.778 0.136) 2.686 4.122 ( 0.786 0.855 2.806) 3.037 4.354 ( 1.232 -3.620 -4.580) 5.967 4.498 ( -0.993 -12.876 0.951) 12.950 4.716 ( 1.117 -13.010 0.151) 13.059 4.803 ( 5.030 -0.979 -2.201) 5.577 5.904 ( 0.629 -0.303 -0.046) 0.700 5.955 ( -0.219 0.077 0.040) 0.235 5.997 ( 0.892 -0.799 1.723) 2.098 6.254 ( -0.714 -2.562 -0.113) 2.662 ======================= Grid point 16 (11/98) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 4.958 5.668 8.637) 11.459 0.669 ( 0.833 6.399 2.096) 6.785 0.793 ( -0.512 3.558 -1.896) 4.063 0.892 ( -5.389 0.702 -3.216) 6.314 0.920 ( -5.423 -1.276 1.807) 5.857 1.016 ( -4.745 -1.062 -3.026) 5.727 1.069 ( -1.529 1.800 -1.486) 2.790 1.132 ( -1.350 1.901 -0.561) 2.399 1.145 ( -2.518 0.408 1.108) 2.781 1.208 ( -3.385 2.875 0.193) 4.445 1.249 ( -2.042 2.028 -1.283) 3.152 1.319 ( -0.570 3.775 1.159) 3.990 1.350 ( 0.722 2.947 -1.150) 3.244 1.488 ( 0.265 4.498 0.114) 4.507 1.540 ( 2.990 7.039 -0.320) 7.655 1.658 ( -0.852 5.954 -0.914) 6.084 1.687 ( 1.061 3.960 1.066) 4.236 1.776 ( -1.481 -0.840 -1.143) 2.051 1.931 ( 7.606 7.041 0.200) 10.366 2.020 ( 1.646 9.213 1.470) 9.474 2.150 ( 4.378 14.192 0.693) 14.868 2.211 ( 1.793 18.178 -1.518) 18.329 2.515 ( -0.597 2.214 -0.631) 2.378 2.552 ( -1.174 -2.727 0.369) 2.992 2.782 ( -0.771 -4.243 -0.109) 4.314 2.799 ( -0.422 -0.878 0.307) 1.021 2.914 ( -0.905 1.477 -0.326) 1.762 3.062 ( -1.134 -2.876 1.319) 3.361 3.278 ( -7.255 0.289 -2.106) 7.560 3.282 ( -6.343 2.210 1.306) 6.843 3.364 ( -6.422 -1.823 -0.306) 6.683 3.423 ( -6.787 -0.318 -0.855) 6.848 3.486 ( -1.772 3.961 1.013) 4.456 3.524 ( -3.688 -5.965 -0.238) 7.017 3.636 ( -1.310 -4.591 -0.276) 4.782 3.735 ( -2.833 2.598 0.146) 3.846 3.890 ( 4.103 -2.069 0.603) 4.635 3.961 ( 3.963 -0.848 0.185) 4.057 4.003 ( -0.628 -1.876 -0.118) 1.982 4.106 ( -3.029 2.717 0.156) 4.072 4.401 ( 3.650 -10.381 -0.650) 11.024 4.491 ( 0.194 -15.834 0.300) 15.838 4.726 ( 0.883 -15.093 0.323) 15.123 4.832 ( -0.378 -12.515 -2.799) 12.830 5.917 ( 0.736 0.066 -0.052) 0.741 5.952 ( -0.198 0.682 0.205) 0.739 6.025 ( 0.780 -0.849 1.424) 1.833 6.236 ( -0.961 -1.734 -0.281) 2.003 ======================= Grid point 17 (12/98) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 0.000 1.105 0.000) 1.105 0.774 ( -0.000 -0.284 0.000) 0.284 0.800 ( -0.000 -2.232 -0.000) 2.232 0.806 ( 0.000 0.075 0.000) 0.075 0.838 ( 0.000 1.338 -0.000) 1.338 0.895 ( 0.000 0.030 0.000) 0.030 1.087 ( 0.000 3.152 0.000) 3.152 1.090 ( -0.000 1.063 -0.000) 1.063 1.116 ( 0.000 0.607 0.000) 0.607 1.179 ( 0.000 2.740 0.000) 2.740 1.223 ( 0.000 1.220 0.000) 1.220 1.313 ( 0.000 4.000 0.000) 4.000 1.357 ( 0.000 2.137 0.000) 2.137 1.491 ( 0.000 4.537 0.000) 4.537 1.603 ( -0.000 2.504 -0.000) 2.504 1.609 ( 0.000 2.391 0.000) 2.391 1.711 ( 0.000 2.375 0.000) 2.375 1.745 ( 0.000 -1.750 0.000) 1.750 2.023 ( -0.000 11.631 0.000) 11.631 2.042 ( 0.000 5.424 -0.000) 5.424 2.204 ( 0.000 18.123 0.000) 18.123 2.227 ( -0.000 13.882 -0.000) 13.882 2.508 ( 0.000 2.442 0.000) 2.442 2.542 ( 0.000 -0.384 0.000) 0.384 2.762 ( 0.000 -5.969 0.000) 5.969 2.806 ( 0.000 -1.009 0.000) 1.009 2.903 ( 0.000 2.200 0.000) 2.200 3.036 ( 0.000 -4.217 -0.000) 4.217 3.194 ( 0.000 -8.869 0.000) 8.869 3.228 ( 0.000 9.333 -0.000) 9.333 3.319 ( 0.000 -10.491 0.000) 10.491 3.337 ( 0.000 6.101 0.000) 6.101 3.471 ( 0.000 3.954 -0.000) 3.954 3.487 ( -0.000 -8.727 0.000) 8.727 3.623 ( 0.000 -5.811 0.000) 5.811 3.707 ( -0.000 3.742 0.000) 3.742 3.947 ( -0.000 -2.977 0.000) 2.977 3.982 ( 0.000 -1.672 0.000) 1.672 4.029 ( 0.000 -2.968 0.000) 2.968 4.044 ( -0.000 4.672 0.000) 4.672 4.435 ( -0.000 -14.423 0.000) 14.423 4.500 ( 0.000 -16.431 0.000) 16.431 4.753 ( 0.000 -13.871 0.000) 13.871 4.794 ( 0.000 -19.100 -0.000) 19.100 5.925 ( 0.000 0.124 0.000) 0.124 5.951 ( 0.000 1.126 0.000) 1.126 6.038 ( 0.000 -0.931 0.000) 0.931 6.224 ( 0.000 -1.181 0.000) 1.181 ======================= Grid point 21 (13/98) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 0.000 7.465 0.000) 7.465 0.997 ( 0.000 -0.417 0.000) 0.417 1.032 ( 0.000 3.646 0.000) 3.646 1.079 ( 0.000 2.067 0.000) 2.067 1.125 ( 0.000 6.021 0.000) 6.021 1.175 ( 0.000 2.061 0.000) 2.061 1.190 ( 0.000 2.856 0.000) 2.856 1.203 ( 0.000 0.341 0.000) 0.341 1.214 ( 0.000 3.984 0.000) 3.984 1.263 ( 0.000 0.856 0.000) 0.856 1.310 ( 0.000 2.366 0.000) 2.366 1.418 ( 0.000 0.452 0.000) 0.452 1.420 ( 0.000 6.267 0.000) 6.267 1.600 ( 0.000 1.815 0.000) 1.815 1.607 ( 0.000 6.579 0.000) 6.579 1.746 ( 0.000 -1.579 0.000) 1.579 1.789 ( 0.000 -0.171 0.000) 0.171 1.922 ( 0.000 -0.074 0.000) 0.074 1.959 ( 0.000 7.626 0.000) 7.626 1.975 ( 0.000 13.547 0.000) 13.547 2.420 ( 0.000 12.844 0.000) 12.844 2.469 ( 0.000 -1.363 0.000) 1.363 2.550 ( 0.000 1.927 0.000) 1.927 2.615 ( 0.000 15.651 0.000) 15.651 2.708 ( 0.000 -3.110 0.000) 3.110 2.913 ( 0.000 4.948 0.000) 4.948 2.914 ( 0.000 -0.995 0.000) 0.995 3.044 ( 0.000 1.594 0.000) 1.594 3.263 ( 0.000 -16.405 0.000) 16.405 3.397 ( 0.000 -6.180 0.000) 6.180 3.425 ( 0.000 -14.807 0.000) 14.807 3.524 ( 0.000 -7.812 0.000) 7.812 3.635 ( 0.000 -3.467 0.000) 3.467 3.708 ( 0.000 -4.536 0.000) 4.536 3.710 ( 0.000 4.191 0.000) 4.191 3.801 ( 0.000 -3.863 0.000) 3.863 3.822 ( 0.000 3.322 0.000) 3.322 3.931 ( 0.000 3.932 0.000) 3.932 4.013 ( 0.000 -0.697 0.000) 0.697 4.194 ( 0.000 -12.297 0.000) 12.297 4.307 ( 0.000 11.672 0.000) 11.672 4.323 ( 0.000 -2.904 0.000) 2.904 4.445 ( 0.000 -11.328 0.000) 11.328 4.925 ( 0.000 6.410 0.000) 6.410 5.890 ( 0.000 -0.146 0.000) 0.146 5.961 ( 0.000 -0.999 0.000) 0.999 5.963 ( 0.000 0.484 0.000) 0.484 6.197 ( 0.000 -3.324 0.000) 3.324 ======================= Grid point 22 (14/98) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 2.293 6.018 3.265) 7.220 0.956 ( -3.276 2.332 0.436) 4.045 0.989 ( -4.640 3.168 -2.233) 6.046 1.015 ( -5.685 7.253 0.149) 9.217 1.087 ( -6.740 4.784 -0.165) 8.267 1.096 ( -3.131 0.826 -1.552) 3.591 1.176 ( -2.449 2.410 -1.420) 3.717 1.185 ( -0.579 1.461 1.288) 2.032 1.210 ( -1.085 2.210 0.029) 2.462 1.261 ( -0.315 1.038 1.074) 1.527 1.341 ( 0.205 1.144 -0.163) 1.174 1.389 ( -2.194 2.528 0.146) 3.351 1.414 ( 0.558 3.451 -2.083) 4.070 1.594 ( -1.242 6.103 0.815) 6.281 1.609 ( 0.494 1.226 0.917) 1.609 1.734 ( -1.262 -0.455 -0.817) 1.571 1.778 ( -0.535 1.031 -0.065) 1.164 1.876 ( -4.331 1.856 -0.003) 4.712 2.018 ( 4.658 11.037 -1.386) 12.059 2.023 ( 4.893 4.289 0.938) 6.574 2.437 ( 1.018 13.537 1.775) 13.691 2.470 ( 0.724 -0.655 -0.448) 1.074 2.556 ( 0.194 4.002 0.495) 4.038 2.620 ( 0.917 14.264 -1.104) 14.336 2.718 ( 0.887 -3.142 0.255) 3.275 2.855 ( -4.403 2.313 -0.271) 4.981 2.941 ( 0.172 0.361 0.599) 0.721 3.022 ( -1.452 -2.444 -1.249) 3.105 3.201 ( -5.441 -9.722 0.730) 11.165 3.288 ( -10.481 -14.482 0.076) 17.877 3.376 ( -2.616 -6.277 -1.277) 6.919 3.503 ( -2.672 -7.575 0.979) 8.092 3.599 ( -4.058 -0.863 0.159) 4.152 3.667 ( -3.154 2.641 -0.136) 4.116 3.702 ( -2.944 1.175 0.431) 3.199 3.814 ( 1.249 -1.381 -0.516) 1.932 3.843 ( 1.639 -0.722 0.424) 1.841 3.883 ( -3.875 3.674 0.270) 5.347 3.989 ( -1.218 0.012 -0.461) 1.302 4.189 ( -0.890 -13.771 -0.727) 13.819 4.274 ( -4.266 7.281 4.077) 9.372 4.312 ( -1.156 -1.481 -1.730) 2.554 4.440 ( -0.606 -11.467 -0.335) 11.488 4.842 ( -7.721 2.311 -1.967) 8.296 5.899 ( 0.837 -0.192 -0.082) 0.863 5.955 ( -0.031 -0.340 0.046) 0.345 5.985 ( 1.123 -0.279 1.044) 1.558 6.196 ( -0.015 -3.100 -0.405) 3.126 ======================= Grid point 23 (15/98) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 2.565 3.299 5.570) 6.964 0.864 ( -6.460 9.931 0.551) 11.860 0.883 ( -6.113 3.684 -2.237) 7.480 0.925 ( -7.262 2.760 -0.399) 7.779 0.926 ( -1.952 2.382 0.594) 3.137 1.018 ( -4.983 2.504 -3.530) 6.600 1.135 ( -0.203 4.260 -1.017) 4.384 1.164 ( -2.413 1.301 1.732) 3.243 1.182 ( -1.264 2.837 -0.407) 3.133 1.258 ( -0.862 2.007 1.117) 2.454 1.299 ( -2.254 2.561 -1.953) 3.930 1.359 ( -1.241 1.237 -0.778) 1.917 1.415 ( 0.114 2.857 -0.312) 2.877 1.582 ( -0.922 4.805 1.343) 5.074 1.625 ( 0.287 1.091 0.914) 1.452 1.692 ( -2.206 2.482 -0.540) 3.364 1.765 ( -0.825 0.629 -0.674) 1.237 1.787 ( -4.100 3.154 -0.172) 5.176 2.101 ( 4.488 6.435 -1.835) 8.057 2.111 ( 3.070 0.809 1.635) 3.571 2.473 ( 2.144 7.960 0.629) 8.267 2.502 ( 1.964 7.387 1.572) 7.804 2.564 ( 0.726 8.709 -0.060) 8.740 2.628 ( 0.623 8.719 -2.174) 9.008 2.724 ( -3.157 -0.797 1.153) 3.455 2.769 ( -1.977 -0.611 0.864) 2.242 2.911 ( -1.556 -5.091 -1.933) 5.663 2.991 ( -2.502 -4.150 -0.684) 4.894 3.107 ( -3.740 -7.335 0.947) 8.288 3.142 ( -4.400 -2.112 -0.064) 4.881 3.315 ( -2.351 -5.694 -1.134) 6.263 3.450 ( -3.268 -7.739 0.901) 8.449 3.504 ( -5.260 4.431 0.897) 6.936 3.576 ( -5.856 5.697 -0.342) 8.177 3.645 ( -2.016 5.140 0.223) 5.526 3.815 ( -1.890 3.082 0.318) 3.629 3.848 ( 2.248 -1.879 -0.291) 2.945 3.899 ( 2.527 -4.167 0.417) 4.891 3.969 ( -0.647 -1.820 -0.362) 1.965 4.158 ( -0.940 -9.826 -1.460) 9.979 4.211 ( -4.906 2.481 3.788) 6.676 4.258 ( -3.333 -5.503 -1.050) 6.519 4.424 ( -0.321 -12.372 -0.265) 12.379 4.650 ( -10.198 -5.501 -1.889) 11.741 5.915 ( 0.834 -0.300 -0.089) 0.890 5.958 ( 0.194 -0.346 0.186) 0.438 6.011 ( 0.869 -0.451 0.847) 1.295 6.192 ( -0.017 -2.527 -0.468) 2.570 ======================= Grid point 24 (16/98) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -0.000 3.424 -0.000) 3.424 0.792 ( 0.000 4.820 0.000) 4.820 0.840 ( -0.000 4.148 -0.000) 4.148 0.858 ( 0.000 2.815 0.000) 2.815 0.920 ( -0.000 5.993 -0.000) 5.993 0.922 ( 0.000 2.810 0.000) 2.810 1.141 ( -0.000 4.024 0.000) 4.024 1.143 ( 0.000 1.893 -0.000) 1.893 1.161 ( 0.000 4.089 0.000) 4.089 1.259 ( 0.000 4.398 0.000) 4.398 1.261 ( -0.000 2.149 -0.000) 2.149 1.341 ( 0.000 -0.268 0.000) 0.268 1.414 ( 0.000 2.784 0.000) 2.784 1.575 ( -0.000 4.225 0.000) 4.225 1.628 ( 0.000 2.024 0.000) 2.024 1.668 ( 0.000 4.178 0.000) 4.178 1.747 ( 0.000 2.098 -0.000) 2.098 1.752 ( -0.000 2.011 0.000) 2.011 2.138 ( -0.000 3.346 0.000) 3.346 2.146 ( 0.000 -0.197 -0.000) 0.197 2.508 ( 0.000 1.882 0.000) 1.882 2.545 ( 0.000 14.305 0.000) 14.305 2.560 ( 0.000 14.843 0.000) 14.843 2.629 ( 0.000 -6.165 -0.000) 6.165 2.660 ( -0.000 8.316 0.000) 8.316 2.774 ( 0.000 -3.507 0.000) 3.507 2.901 ( 0.000 -3.721 0.000) 3.721 2.940 ( -0.000 -6.276 0.000) 6.276 3.089 ( 0.000 -7.351 -0.000) 7.351 3.096 ( 0.000 4.109 0.000) 4.109 3.290 ( 0.000 -5.220 0.000) 5.220 3.417 ( 0.000 -7.850 0.000) 7.850 3.456 ( 0.000 6.997 0.000) 6.997 3.509 ( 0.000 8.763 0.000) 8.763 3.628 ( 0.000 5.040 0.000) 5.040 3.802 ( 0.000 4.178 0.000) 4.178 3.874 ( 0.000 -4.095 0.000) 4.095 3.929 ( 0.000 -2.770 0.000) 2.770 3.962 ( 0.000 -4.643 0.000) 4.643 4.144 ( 0.000 -0.784 -0.000) 0.784 4.183 ( -0.000 -7.796 -0.000) 7.796 4.201 ( 0.000 -7.042 0.000) 7.042 4.438 ( 0.000 -13.726 0.000) 13.726 4.513 ( 0.000 -8.288 0.000) 8.288 5.923 ( 0.000 -0.363 0.000) 0.363 5.961 ( 0.000 -0.346 0.000) 0.346 6.023 ( 0.000 -0.546 0.000) 0.546 6.190 ( 0.000 -2.166 0.000) 2.166 ======================= Grid point 28 (17/98) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 0.000 6.092 0.000) 6.092 0.980 ( 0.000 -1.381 0.000) 1.381 1.047 ( 0.000 -0.778 0.000) 0.778 1.107 ( 0.000 0.352 0.000) 0.352 1.165 ( 0.000 -2.154 0.000) 2.154 1.188 ( 0.000 -2.778 0.000) 2.778 1.193 ( 0.000 1.391 0.000) 1.391 1.247 ( 0.000 2.613 0.000) 2.613 1.256 ( 0.000 -0.447 0.000) 0.447 1.277 ( 0.000 1.209 0.000) 1.209 1.380 ( 0.000 -2.845 0.000) 2.845 1.397 ( 0.000 5.023 0.000) 5.023 1.534 ( 0.000 4.464 0.000) 4.464 1.633 ( 0.000 1.855 0.000) 1.855 1.721 ( 0.000 -0.367 0.000) 0.367 1.736 ( 0.000 1.005 0.000) 1.005 1.776 ( 0.000 3.928 0.000) 3.928 1.895 ( 0.000 -2.316 0.000) 2.316 2.017 ( 0.000 -2.084 0.000) 2.084 2.159 ( 0.000 4.019 0.000) 4.019 2.499 ( 0.000 -8.199 0.000) 8.199 2.536 ( 0.000 4.907 0.000) 4.907 2.542 ( 0.000 -0.656 0.000) 0.656 2.663 ( 0.000 -2.025 0.000) 2.025 2.725 ( 0.000 -9.808 0.000) 9.808 2.961 ( 0.000 -4.036 0.000) 4.036 2.962 ( 0.000 6.237 0.000) 6.237 3.059 ( 0.000 -0.732 0.000) 0.732 3.083 ( 0.000 4.092 0.000) 4.092 3.209 ( 0.000 0.054 0.000) 0.054 3.294 ( 0.000 -3.685 0.000) 3.685 3.391 ( 0.000 -3.150 0.000) 3.150 3.517 ( 0.000 -7.960 0.000) 7.960 3.567 ( 0.000 -9.118 0.000) 9.118 3.696 ( 0.000 -3.334 0.000) 3.334 3.728 ( 0.000 -2.237 0.000) 2.237 3.895 ( 0.000 2.524 0.000) 2.524 3.929 ( 0.000 -8.418 0.000) 8.418 3.973 ( 0.000 0.809 0.000) 0.809 4.043 ( 0.000 1.631 0.000) 1.631 4.148 ( 0.000 -9.550 0.000) 9.550 4.290 ( 0.000 -0.959 0.000) 0.959 4.541 ( 0.000 2.256 0.000) 2.256 4.936 ( 0.000 -5.585 0.000) 5.585 5.889 ( 0.000 -0.001 0.000) 0.001 5.938 ( 0.000 -1.171 0.000) 1.171 5.978 ( 0.000 1.000 0.000) 1.000 6.130 ( 0.000 -3.183 0.000) 3.183 ======================= Grid point 29 (18/98) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 0.597 5.245 1.634) 5.527 0.949 ( -1.610 -0.926 -0.525) 1.930 1.022 ( -3.145 -0.237 -0.122) 3.156 1.081 ( -2.755 0.655 -2.205) 3.589 1.131 ( -2.837 0.909 1.613) 3.388 1.173 ( -1.907 1.190 0.911) 2.425 1.222 ( -0.145 3.585 -0.457) 3.617 1.227 ( 0.615 1.580 -1.717) 2.413 1.265 ( -0.599 1.512 0.271) 1.649 1.270 ( -0.063 1.331 0.537) 1.436 1.353 ( -0.624 -0.159 -1.473) 1.607 1.417 ( 0.233 0.942 1.440) 1.736 1.497 ( -2.498 4.412 -2.739) 5.763 1.630 ( -0.259 1.488 0.381) 1.558 1.706 ( -3.154 1.752 4.359) 5.658 1.743 ( 1.521 4.043 -2.984) 5.250 1.770 ( 0.495 -0.440 0.414) 0.781 1.874 ( -1.384 -1.147 -0.676) 1.920 2.035 ( 1.348 -2.737 0.365) 3.073 2.163 ( 0.506 2.656 -0.779) 2.814 2.479 ( -1.312 -6.912 0.192) 7.038 2.537 ( 0.638 -0.412 1.284) 1.492 2.592 ( 2.767 1.625 0.994) 3.359 2.637 ( -2.477 -8.554 0.592) 8.925 2.702 ( -0.821 -3.869 -1.160) 4.122 2.914 ( -2.850 -1.772 -1.862) 3.838 2.963 ( -0.345 5.935 0.774) 5.995 3.002 ( -2.546 4.694 -0.382) 5.353 3.124 ( -4.829 2.776 -0.874) 5.638 3.168 ( 3.453 1.104 2.220) 4.251 3.314 ( -0.209 1.347 -0.658) 1.514 3.372 ( -2.237 -3.296 -0.338) 3.998 3.537 ( 1.428 -5.413 0.253) 5.604 3.622 ( 4.509 -6.355 0.016) 7.792 3.707 ( 0.455 -1.445 0.670) 1.656 3.756 ( 2.938 -1.960 -0.636) 3.589 3.880 ( -1.500 2.532 0.174) 2.948 3.914 ( -3.456 -2.041 -0.008) 4.013 3.959 ( 1.137 -3.076 0.038) 3.280 4.018 ( -2.193 1.250 -0.228) 2.535 4.155 ( 0.314 -8.846 0.776) 8.885 4.261 ( -2.314 -1.160 -1.264) 2.880 4.470 ( -7.696 1.775 1.889) 8.121 4.824 ( -10.765 -4.795 -1.431) 11.871 5.894 ( 0.496 -0.230 0.003) 0.547 5.938 ( -0.069 -1.180 0.106) 1.187 5.988 ( 0.732 0.529 0.515) 1.039 6.131 ( 0.289 -3.140 -0.429) 3.182 ======================= Grid point 30 (19/98) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 1.692 3.740 3.131) 5.163 0.936 ( 0.162 1.937 0.425) 1.989 0.958 ( -3.625 2.565 -2.431) 5.063 0.988 ( -2.688 3.139 -1.244) 4.315 1.066 ( -5.169 6.448 1.408) 8.383 1.128 ( -3.730 6.743 -0.866) 7.754 1.196 ( -1.558 2.600 0.890) 3.160 1.225 ( 0.237 3.279 -1.007) 3.438 1.244 ( -0.025 3.630 -0.414) 3.654 1.293 ( 0.932 1.772 0.731) 2.132 1.342 ( 0.019 1.597 -1.131) 1.957 1.394 ( -2.908 1.988 -1.562) 3.853 1.457 ( 0.012 1.482 -0.340) 1.520 1.645 ( 1.781 0.881 0.516) 2.053 1.676 ( -2.498 3.764 3.628) 5.794 1.761 ( 2.610 4.233 -3.094) 5.857 1.795 ( 0.943 1.574 0.415) 1.882 1.854 ( -0.315 3.580 -0.133) 3.596 2.061 ( 1.070 -4.404 0.249) 4.539 2.169 ( 0.817 0.858 -0.604) 1.330 2.475 ( 0.783 -7.426 0.381) 7.477 2.552 ( -0.207 0.971 0.662) 1.193 2.606 ( 0.549 -8.340 -0.851) 8.401 2.643 ( 0.145 -2.597 1.152) 2.845 2.712 ( 2.780 0.307 0.990) 2.967 2.868 ( -0.878 3.104 -1.218) 3.448 2.926 ( -4.620 6.950 -0.196) 8.348 2.950 ( -2.595 3.922 -0.343) 4.715 3.065 ( -0.886 5.014 -0.117) 5.094 3.223 ( 1.586 0.255 0.676) 1.743 3.286 ( -1.388 7.124 -0.919) 7.315 3.312 ( -3.698 -2.823 0.183) 4.656 3.559 ( 0.802 0.522 0.885) 1.303 3.683 ( 1.793 1.585 -0.293) 2.411 3.714 ( 0.041 2.348 0.425) 2.386 3.812 ( 2.684 -2.357 -0.596) 3.622 3.845 ( -2.028 0.559 0.011) 2.103 3.849 ( -1.808 1.872 0.361) 2.628 3.956 ( -3.549 -0.127 -0.311) 3.564 4.022 ( 3.567 -1.307 0.277) 3.809 4.154 ( -1.285 -6.091 1.062) 6.315 4.201 ( -3.538 -0.700 -1.913) 4.082 4.337 ( -5.469 0.707 2.512) 6.060 4.573 ( -12.902 -3.100 -1.918) 13.407 5.905 ( 0.494 -0.689 0.006) 0.848 5.938 ( 0.002 -1.428 0.126) 1.434 6.006 ( 0.625 -0.150 0.472) 0.797 6.134 ( 0.313 -3.090 -0.445) 3.137 ======================= Grid point 31 (20/98) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( -0.000 4.483 -0.000) 4.483 0.876 ( 0.000 1.959 0.000) 1.959 0.944 ( 0.000 6.280 -0.000) 6.280 0.985 ( 0.000 8.209 0.000) 8.209 1.007 ( -0.000 4.817 0.000) 4.817 1.062 ( 0.000 8.371 0.000) 8.371 1.184 ( -0.000 2.199 0.000) 2.199 1.229 ( 0.000 3.381 0.000) 3.381 1.256 ( 0.000 5.098 0.000) 5.098 1.299 ( 0.000 1.637 -0.000) 1.637 1.341 ( 0.000 3.475 -0.000) 3.475 1.343 ( -0.000 1.331 0.000) 1.331 1.460 ( 0.000 1.697 0.000) 1.697 1.665 ( -0.000 3.803 0.000) 3.803 1.676 ( 0.000 0.524 0.000) 0.524 1.781 ( -0.000 4.295 0.000) 4.295 1.800 ( 0.000 4.075 0.000) 4.075 1.853 ( -0.000 8.007 -0.000) 8.007 2.073 ( 0.000 -5.559 0.000) 5.559 2.178 ( 0.000 0.754 0.000) 0.754 2.494 ( 0.000 -5.704 0.000) 5.704 2.545 ( -0.000 0.420 0.000) 0.420 2.619 ( -0.000 -5.627 0.000) 5.627 2.637 ( 0.000 -4.360 -0.000) 4.360 2.783 ( 0.000 0.223 0.000) 0.223 2.830 ( -0.000 1.989 -0.000) 1.989 2.873 ( 0.000 6.071 -0.000) 6.071 2.911 ( -0.000 7.413 0.000) 7.413 3.064 ( 0.000 4.359 -0.000) 4.359 3.250 ( 0.000 2.953 -0.000) 2.953 3.257 ( -0.000 -6.290 0.000) 6.290 3.271 ( 0.000 10.922 0.000) 10.922 3.579 ( 0.000 3.575 0.000) 3.575 3.690 ( 0.000 4.853 0.000) 4.853 3.718 ( 0.000 5.743 0.000) 5.743 3.818 ( 0.000 -1.041 0.000) 1.041 3.851 ( 0.000 -0.186 0.000) 0.186 3.860 ( -0.000 -3.007 -0.000) 3.007 3.878 ( 0.000 -0.805 0.000) 0.805 4.077 ( 0.000 0.747 0.000) 0.747 4.126 ( -0.000 0.422 -0.000) 0.422 4.141 ( -0.000 -3.522 0.000) 3.522 4.323 ( 0.000 0.127 0.000) 0.127 4.416 ( -0.000 -2.077 -0.000) 2.077 5.910 ( 0.000 -0.915 0.000) 0.915 5.939 ( 0.000 -1.603 0.000) 1.603 6.014 ( -0.000 -0.429 0.000) 0.429 6.136 ( 0.000 -3.089 0.000) 3.089 ======================= Grid point 35 (21/98) ======================= q-point: ( 0.00 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 0.000 3.742 0.000) 3.742 0.936 ( 0.000 -2.609 0.000) 2.609 1.013 ( 0.000 -2.329 0.000) 2.329 1.055 ( 0.000 -4.588 0.000) 4.588 1.124 ( 0.000 -1.237 0.000) 1.237 1.146 ( 0.000 -1.049 0.000) 1.049 1.222 ( 0.000 1.254 0.000) 1.254 1.228 ( 0.000 -0.913 0.000) 0.913 1.277 ( 0.000 0.530 0.000) 0.530 1.290 ( 0.000 -0.053 0.000) 0.053 1.352 ( 0.000 -0.021 0.000) 0.021 1.446 ( 0.000 -1.765 0.000) 1.765 1.590 ( 0.000 1.846 0.000) 1.846 1.663 ( 0.000 0.735 0.000) 0.735 1.719 ( 0.000 0.646 0.000) 0.646 1.726 ( 0.000 0.479 0.000) 0.479 1.823 ( 0.000 -4.534 0.000) 4.534 1.896 ( 0.000 5.607 0.000) 5.607 1.922 ( 0.000 -6.370 0.000) 6.370 2.155 ( 0.000 -3.686 0.000) 3.686 2.293 ( 0.000 -5.297 0.000) 5.297 2.460 ( 0.000 -9.920 0.000) 9.920 2.501 ( 0.000 -9.945 0.000) 9.945 2.554 ( 0.000 -8.611 0.000) 8.611 2.581 ( 0.000 3.310 0.000) 3.310 2.825 ( 0.000 -6.472 0.000) 6.472 3.026 ( 0.000 3.189 0.000) 3.189 3.144 ( 0.000 0.517 0.000) 0.517 3.177 ( 0.000 5.374 0.000) 5.374 3.248 ( 0.000 1.056 0.000) 1.056 3.286 ( 0.000 -8.371 0.000) 8.371 3.290 ( 0.000 2.809 0.000) 2.809 3.468 ( 0.000 4.205 0.000) 4.205 3.502 ( 0.000 4.560 0.000) 4.560 3.636 ( 0.000 -2.383 0.000) 2.383 3.716 ( 0.000 -0.370 0.000) 0.370 3.866 ( 0.000 0.974 0.000) 0.974 3.963 ( 0.000 5.042 0.000) 5.042 3.982 ( 0.000 0.381 0.000) 0.381 4.058 ( 0.000 -0.048 0.000) 0.048 4.062 ( 0.000 2.647 0.000) 2.647 4.260 ( 0.000 -1.835 0.000) 1.835 4.445 ( 0.000 -10.467 0.000) 10.467 4.711 ( 0.000 -15.588 0.000) 15.588 5.891 ( 0.000 0.238 0.000) 0.238 5.916 ( 0.000 -0.986 0.000) 0.986 6.003 ( 0.000 1.325 0.000) 1.325 6.072 ( 0.000 -2.390 0.000) 2.390 ======================= Grid point 36 (22/98) ======================= q-point: ( 0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 0.278 3.174 0.039) 3.186 0.937 ( 0.661 -0.206 -0.562) 0.892 1.001 ( -0.277 -0.794 0.716) 1.104 1.081 ( 1.089 -2.116 -1.344) 2.733 1.121 ( -1.826 0.031 0.522) 1.900 1.188 ( 2.811 -0.097 2.268) 3.613 1.210 ( 1.054 -1.778 -2.205) 3.022 1.245 ( 3.239 -0.574 -0.425) 3.317 1.300 ( 0.992 1.521 0.311) 1.843 1.302 ( 1.350 1.337 0.654) 2.009 1.351 ( 0.305 0.755 -0.809) 1.148 1.451 ( -0.201 0.685 -0.746) 1.033 1.573 ( -1.979 2.845 -0.823) 3.562 1.655 ( -0.912 0.189 0.468) 1.042 1.712 ( 0.148 -0.995 0.234) 1.033 1.729 ( 0.141 0.223 0.267) 0.376 1.829 ( 1.097 -3.312 -0.099) 3.490 1.881 ( -1.154 6.610 0.066) 6.710 1.936 ( 1.223 -6.787 -0.333) 6.904 2.153 ( -0.031 -3.288 -0.377) 3.310 2.314 ( 3.453 -2.008 -0.060) 3.995 2.430 ( 0.016 -5.056 0.108) 5.057 2.549 ( 3.146 -3.332 0.974) 4.685 2.583 ( 1.890 -1.354 -0.297) 2.344 2.650 ( 4.198 -2.827 1.346) 5.237 2.832 ( 0.380 -5.386 0.605) 5.434 3.010 ( -0.642 0.490 -0.724) 1.084 3.125 ( -1.246 3.728 -1.541) 4.222 3.204 ( -0.017 1.111 2.406) 2.650 3.228 ( -0.836 3.416 -0.962) 3.646 3.314 ( 4.404 -1.686 -0.375) 4.731 3.374 ( 5.710 -0.901 -0.193) 5.783 3.468 ( 0.859 2.705 0.575) 2.895 3.518 ( 3.113 0.763 -1.019) 3.363 3.670 ( 2.681 -1.835 1.259) 3.484 3.725 ( 1.755 -1.851 -0.757) 2.661 3.886 ( 0.927 1.134 -0.328) 1.501 3.951 ( -1.598 3.156 0.056) 3.538 3.983 ( -0.394 0.561 0.249) 0.730 4.062 ( 1.264 6.063 -0.259) 6.199 4.067 ( -0.201 -0.663 0.721) 0.999 4.244 ( -0.506 -0.024 -1.591) 1.670 4.404 ( -4.665 -7.117 2.132) 8.773 4.647 ( -6.242 -12.027 -0.998) 13.587 5.891 ( -0.044 -0.005 0.119) 0.127 5.913 ( -0.265 -1.096 0.049) 1.129 6.004 ( 0.058 0.981 0.194) 1.002 6.072 ( 0.110 -2.539 -0.303) 2.559 ======================= Grid point 37 (23/98) ======================= q-point: ( 0.33 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 1.300 3.275 0.929) 3.644 0.962 ( 1.599 0.483 -0.133) 1.676 1.010 ( -0.634 2.115 -0.120) 2.211 1.048 ( 0.851 2.893 -1.813) 3.519 1.115 ( -0.458 -0.073 1.288) 1.369 1.223 ( 1.727 0.479 -0.843) 1.980 1.249 ( 0.964 1.624 1.143) 2.207 1.280 ( -0.954 3.841 -1.083) 4.103 1.325 ( 0.154 3.361 0.188) 3.369 1.343 ( 3.384 1.451 0.682) 3.745 1.364 ( 1.953 1.377 -0.147) 2.394 1.423 ( -1.553 1.154 -1.427) 2.404 1.509 ( -2.449 4.058 -1.521) 4.977 1.644 ( -0.435 -0.652 0.864) 1.166 1.717 ( -1.322 0.277 1.109) 1.748 1.759 ( 3.179 -5.311 0.171) 6.192 1.867 ( -0.204 4.854 0.971) 4.955 1.869 ( 2.858 -1.037 -0.862) 3.160 1.949 ( 0.447 -6.997 -1.085) 7.095 2.150 ( -0.115 -3.678 -0.262) 3.689 2.422 ( 6.974 4.413 0.249) 8.257 2.480 ( 4.614 1.143 -0.218) 4.759 2.597 ( 0.530 1.981 -0.011) 2.051 2.604 ( 0.353 -1.677 0.492) 1.783 2.713 ( 2.200 0.210 1.681) 2.776 2.832 ( -1.274 -4.169 0.515) 4.390 2.993 ( -0.790 1.232 -0.463) 1.535 3.082 ( -1.581 2.586 -2.324) 3.819 3.200 ( -0.809 1.783 1.673) 2.575 3.228 ( 0.246 9.558 0.350) 9.568 3.372 ( 1.943 4.350 -0.312) 4.774 3.463 ( 4.065 7.662 -0.889) 8.719 3.526 ( 4.144 -2.168 0.361) 4.691 3.615 ( 6.063 -5.698 -0.019) 8.320 3.721 ( 1.672 -1.500 0.023) 2.246 3.783 ( 4.105 -2.332 0.253) 4.728 3.881 ( -0.629 2.810 -0.401) 2.907 3.908 ( -2.422 3.005 -0.389) 3.879 3.948 ( -3.352 -0.015 0.321) 3.368 4.050 ( -0.835 -1.619 1.138) 2.148 4.115 ( 3.145 4.760 -0.342) 5.715 4.212 ( -2.803 0.990 -1.473) 3.317 4.344 ( -2.106 0.732 2.703) 3.504 4.497 ( -7.587 -4.478 -1.690) 8.971 5.891 ( -0.034 -0.488 0.097) 0.498 5.908 ( -0.275 -1.325 0.052) 1.354 6.007 ( 0.093 0.382 0.217) 0.449 6.072 ( 0.102 -2.803 -0.308) 2.821 ======================= Grid point 38 (24/98) ======================= q-point: (-0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -0.000 2.182 -0.000) 2.182 0.940 ( 0.000 3.107 0.000) 3.107 1.023 ( 0.000 1.050 0.000) 1.050 1.077 ( 0.000 1.089 -0.000) 1.089 1.111 ( -0.000 5.311 0.000) 5.311 1.240 ( -0.000 1.883 0.000) 1.883 1.243 ( 0.000 3.535 -0.000) 3.535 1.257 ( -0.000 5.697 0.000) 5.697 1.333 ( 0.000 1.158 0.000) 1.158 1.353 ( -0.000 3.738 -0.000) 3.738 1.396 ( 0.000 1.854 0.000) 1.854 1.406 ( -0.000 3.581 -0.000) 3.581 1.490 ( 0.000 1.946 0.000) 1.946 1.651 ( 0.000 -1.464 0.000) 1.464 1.697 ( -0.000 -0.953 -0.000) 0.953 1.798 ( 0.000 -5.994 0.000) 5.994 1.867 ( -0.000 5.516 0.000) 5.516 1.912 ( 0.000 -3.233 0.000) 3.233 1.940 ( -0.000 -6.927 0.000) 6.927 2.146 ( 0.000 -4.614 0.000) 4.614 2.512 ( 0.000 6.518 0.000) 6.518 2.558 ( -0.000 0.318 0.000) 0.318 2.562 ( 0.000 3.010 -0.000) 3.010 2.604 ( 0.000 0.370 -0.000) 0.370 2.758 ( 0.000 -0.622 0.000) 0.622 2.802 ( -0.000 -2.242 0.000) 2.242 2.983 ( 0.000 3.001 -0.000) 3.001 3.054 ( 0.000 2.394 0.000) 2.394 3.198 ( 0.000 4.350 0.000) 4.350 3.235 ( 0.000 11.868 0.000) 11.868 3.391 ( 0.000 8.129 0.000) 8.129 3.501 ( 0.000 9.814 0.000) 9.814 3.580 ( 0.000 -2.912 0.000) 2.912 3.678 ( 0.000 -4.042 0.000) 4.042 3.738 ( -0.000 -3.183 0.000) 3.183 3.817 ( 0.000 -2.391 0.000) 2.391 3.876 ( -0.000 4.309 0.000) 4.309 3.891 ( -0.000 3.992 0.000) 3.992 3.895 ( 0.000 1.387 0.000) 1.387 4.058 ( 0.000 -3.104 0.000) 3.104 4.149 ( 0.000 1.245 -0.000) 1.245 4.159 ( -0.000 2.389 0.000) 2.389 4.347 ( 0.000 2.448 0.000) 2.448 4.403 ( -0.000 0.353 -0.000) 0.353 5.891 ( -0.000 -0.723 0.000) 0.723 5.905 ( 0.000 -1.443 -0.000) 1.443 6.009 ( -0.000 0.120 0.000) 0.120 6.072 ( 0.000 -2.919 0.000) 2.919 ======================= Grid point 42 (25/98) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 0.000 -0.538 0.000) 0.538 0.902 ( 0.000 0.538 0.000) 0.538 0.990 ( 0.000 -1.064 0.000) 1.064 0.990 ( 0.000 1.064 0.000) 1.064 1.123 ( 0.000 -0.917 0.000) 0.917 1.123 ( 0.000 0.917 0.000) 0.917 1.233 ( 0.000 -0.460 0.000) 0.460 1.233 ( 0.000 0.460 0.000) 0.460 1.282 ( 0.000 -0.395 0.000) 0.395 1.282 ( 0.000 0.395 0.000) 0.395 1.373 ( 0.000 -2.635 0.000) 2.635 1.373 ( 0.000 2.635 0.000) 2.635 1.647 ( 0.000 -2.593 0.000) 2.593 1.647 ( 0.000 2.593 0.000) 2.593 1.735 ( 0.000 -0.448 0.000) 0.448 1.735 ( 0.000 0.448 0.000) 0.448 1.797 ( 0.000 -4.138 0.000) 4.138 1.797 ( 0.000 4.138 0.000) 4.138 2.029 ( 0.000 -7.619 0.000) 7.619 2.029 ( 0.000 7.619 0.000) 7.619 2.305 ( 0.000 -5.600 0.000) 5.600 2.305 ( 0.000 5.600 0.000) 5.600 2.402 ( 0.000 -3.897 0.000) 3.897 2.402 ( 0.000 3.897 0.000) 3.897 2.686 ( 0.000 -6.722 0.000) 6.722 2.686 ( 0.000 6.722 0.000) 6.722 3.110 ( 0.000 -4.467 0.000) 4.467 3.110 ( 0.000 4.467 0.000) 4.467 3.208 ( 0.000 -0.626 0.000) 0.626 3.208 ( 0.000 0.626 0.000) 0.626 3.293 ( 0.000 -1.787 0.000) 1.787 3.293 ( 0.000 1.787 0.000) 1.787 3.567 ( 0.000 -4.793 0.000) 4.793 3.567 ( 0.000 4.793 0.000) 4.793 3.643 ( 0.000 -6.605 0.000) 6.605 3.643 ( 0.000 6.605 0.000) 6.605 3.929 ( 0.000 -4.168 0.000) 4.168 3.929 ( 0.000 4.168 0.000) 4.168 4.077 ( 0.000 -1.723 0.000) 1.723 4.077 ( 0.000 1.723 0.000) 1.723 4.204 ( 0.000 -9.187 0.000) 9.187 4.204 ( 0.000 9.187 0.000) 9.187 4.363 ( 0.000 -15.843 0.000) 15.843 4.363 ( 0.000 15.843 0.000) 15.843 5.900 ( 0.000 -0.583 0.000) 0.583 5.900 ( 0.000 0.583 0.000) 0.583 6.032 ( 0.000 -1.627 0.000) 1.627 6.032 ( 0.000 1.627 0.000) 1.627 ======================= Grid point 44 (26/98) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 1.422 -2.117 -0.749) 2.658 0.909 ( 1.422 2.117 -0.749) 2.658 1.024 ( 2.366 -2.529 0.623) 3.519 1.024 ( 2.366 2.529 0.623) 3.519 1.143 ( 1.302 -2.109 -0.770) 2.595 1.143 ( 1.302 2.109 -0.770) 2.595 1.220 ( 1.419 -1.368 0.266) 1.989 1.220 ( 1.419 1.368 0.266) 1.989 1.319 ( 2.176 -0.227 0.608) 2.271 1.319 ( 2.176 0.227 0.608) 2.271 1.399 ( 2.404 -4.074 -0.926) 4.821 1.399 ( 2.404 4.074 -0.926) 4.821 1.628 ( -2.049 -2.346 0.344) 3.134 1.628 ( -2.049 2.346 0.344) 3.134 1.731 ( -0.775 -0.765 0.490) 1.194 1.731 ( -0.775 0.765 0.490) 1.194 1.808 ( 1.638 -3.738 -1.254) 4.269 1.808 ( 1.638 3.738 -1.254) 4.269 2.030 ( -0.291 -7.700 0.048) 7.706 2.030 ( -0.291 7.700 0.048) 7.706 2.396 ( 8.286 -7.886 0.238) 11.441 2.396 ( 8.286 7.886 0.238) 11.441 2.476 ( 6.729 -6.844 0.121) 9.599 2.476 ( 6.729 6.844 0.121) 9.599 2.707 ( 1.501 -6.093 1.289) 6.407 2.707 ( 1.501 6.093 1.289) 6.407 3.072 ( -2.319 -4.916 -1.173) 5.561 3.072 ( -2.319 4.916 -1.173) 5.561 3.229 ( 2.613 -1.526 0.665) 3.098 3.229 ( 2.613 1.526 0.665) 3.098 3.341 ( 3.927 -2.341 0.044) 4.572 3.341 ( 3.927 2.341 0.044) 4.572 3.553 ( -0.268 -2.625 -0.606) 2.707 3.553 ( -0.268 2.625 -0.606) 2.707 3.667 ( 2.193 -3.153 0.221) 3.846 3.667 ( 2.193 3.153 0.221) 3.846 3.931 ( -0.001 -3.015 -0.119) 3.017 3.931 ( -0.001 3.015 -0.119) 3.017 4.042 ( -2.869 -3.493 -0.018) 4.520 4.042 ( -2.869 3.493 -0.018) 4.520 4.216 ( 0.292 -7.029 0.452) 7.049 4.216 ( 0.292 7.029 0.452) 7.049 4.383 ( 1.698 -11.458 -0.301) 11.587 4.383 ( 1.698 11.458 -0.301) 11.587 5.896 ( -0.364 -0.525 0.099) 0.646 5.896 ( -0.364 0.525 0.099) 0.646 6.030 ( -0.177 -1.637 -0.081) 1.649 6.030 ( -0.177 1.637 -0.081) 1.649 ======================= Grid point 46 (27/98) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 1.989 -2.289 -0.521) 3.076 0.941 ( 1.989 2.289 -0.521) 3.076 1.054 ( 0.235 -2.085 0.179) 2.106 1.054 ( 0.235 2.085 0.179) 2.106 1.161 ( 2.304 -4.368 -0.205) 4.943 1.161 ( 2.304 4.368 -0.205) 4.943 1.299 ( 4.468 -2.075 0.585) 4.961 1.299 ( 4.468 2.075 0.585) 4.961 1.348 ( 0.341 -0.613 0.613) 0.932 1.348 ( 0.341 0.613 0.613) 0.932 1.423 ( 0.814 -2.144 -1.645) 2.823 1.423 ( 0.814 2.144 -1.645) 2.823 1.598 ( -0.775 -4.212 0.691) 4.338 1.598 ( -0.775 4.212 0.691) 4.338 1.704 ( -2.240 -1.718 -0.216) 2.831 1.704 ( -2.240 1.718 -0.216) 2.831 1.836 ( 1.831 -1.719 -0.656) 2.596 1.836 ( 1.831 1.719 -0.656) 2.596 2.018 ( -0.791 -7.850 0.098) 7.890 2.018 ( -0.791 7.850 0.098) 7.890 2.541 ( 5.465 -5.076 0.541) 7.478 2.541 ( 5.465 5.076 0.541) 7.478 2.581 ( 3.374 -4.495 -0.284) 5.628 2.581 ( 3.374 4.495 -0.284) 5.628 2.747 ( 1.515 -3.502 1.221) 4.006 2.747 ( 1.515 3.502 1.221) 4.006 3.037 ( -0.728 -3.381 -0.803) 3.550 3.037 ( -0.728 3.381 -0.803) 3.550 3.318 ( 5.799 -6.808 0.277) 8.947 3.318 ( 5.799 6.808 0.277) 8.947 3.427 ( 5.508 -8.613 -0.103) 10.224 3.427 ( 5.508 8.613 -0.103) 10.224 3.569 ( 1.768 -2.862 -0.200) 3.370 3.569 ( 1.768 2.862 -0.200) 3.370 3.717 ( 2.668 -2.989 0.003) 4.007 3.717 ( 2.668 2.989 0.003) 4.007 3.923 ( -0.425 -1.019 -0.365) 1.163 3.923 ( -0.425 1.019 -0.365) 1.163 3.992 ( -2.253 -3.380 0.238) 4.069 3.992 ( -2.253 3.380 0.238) 4.069 4.202 ( -2.094 -2.405 0.500) 3.227 4.202 ( -2.094 2.405 0.500) 3.227 4.401 ( 0.278 -4.471 -0.359) 4.494 4.401 ( 0.278 4.471 -0.359) 4.494 5.890 ( -0.351 -0.402 0.076) 0.539 5.890 ( -0.351 0.402 0.076) 0.539 6.026 ( -0.117 -1.612 -0.058) 1.617 6.026 ( -0.117 1.612 -0.058) 1.617 ======================= Grid point 48 (28/98) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 0.000 -1.570 0.000) 1.570 0.960 ( -0.000 1.570 0.000) 1.570 1.052 ( 0.000 -2.496 0.000) 2.496 1.052 ( 0.000 2.496 0.000) 2.496 1.203 ( -0.000 -3.312 0.000) 3.312 1.203 ( 0.000 3.312 0.000) 3.312 1.315 ( 0.000 -2.899 0.000) 2.899 1.315 ( 0.000 2.899 0.000) 2.899 1.372 ( 0.000 -2.357 0.000) 2.357 1.372 ( 0.000 2.357 0.000) 2.357 1.422 ( 0.000 -0.792 0.000) 0.792 1.422 ( 0.000 0.792 0.000) 0.792 1.604 ( 0.000 -8.260 0.000) 8.260 1.604 ( -0.000 8.260 -0.000) 8.260 1.669 ( 0.000 -3.255 0.000) 3.255 1.669 ( 0.000 3.255 0.000) 3.255 1.854 ( 0.000 -0.075 0.000) 0.075 1.854 ( 0.000 0.075 0.000) 0.075 2.010 ( 0.000 -7.679 0.000) 7.679 2.010 ( 0.000 7.679 0.000) 7.679 2.592 ( 0.000 -1.164 0.000) 1.164 2.592 ( 0.000 1.164 0.000) 1.164 2.605 ( -0.000 -1.414 -0.000) 1.414 2.605 ( -0.000 1.414 -0.000) 1.414 2.766 ( 0.000 -1.160 0.000) 1.160 2.766 ( 0.000 1.160 0.000) 1.160 3.028 ( 0.000 -2.119 0.000) 2.119 3.028 ( 0.000 2.119 0.000) 2.119 3.388 ( 0.000 -9.319 0.000) 9.319 3.388 ( 0.000 9.319 0.000) 9.319 3.497 ( 0.000 -11.833 0.000) 11.833 3.497 ( 0.000 11.833 0.000) 11.833 3.586 ( 0.000 -3.526 0.000) 3.526 3.586 ( 0.000 3.526 0.000) 3.526 3.744 ( 0.000 -4.254 0.000) 4.254 3.744 ( 0.000 4.254 0.000) 4.254 3.920 ( -0.000 -0.615 0.000) 0.615 3.920 ( -0.000 0.615 0.000) 0.615 3.971 ( -0.000 -4.825 0.000) 4.825 3.971 ( 0.000 4.825 -0.000) 4.825 4.173 ( 0.000 -0.740 0.000) 0.740 4.173 ( 0.000 0.740 0.000) 0.740 4.398 ( 0.000 -1.508 0.000) 1.508 4.398 ( 0.000 1.508 0.000) 1.508 5.886 ( 0.000 -0.332 0.000) 0.332 5.886 ( 0.000 0.332 0.000) 0.332 6.025 ( 0.000 -1.577 0.000) 1.577 6.025 ( 0.000 1.577 0.000) 1.577 ======================= Grid point 91 (29/98) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.154 ( -0.605 0.000 7.861) 7.885 0.191 ( 0.650 0.000 8.036) 8.062 0.394 ( 0.368 0.000 -1.472) 1.517 0.521 ( -0.449 0.000 12.101) 12.110 0.531 ( 2.511 0.000 3.620) 4.405 0.871 ( -0.072 0.000 0.048) 0.086 0.907 ( 0.205 0.000 -0.809) 0.835 0.926 ( 0.029 0.000 2.369) 2.369 1.055 ( 0.553 0.000 -5.230) 5.259 1.180 ( 4.827 0.000 0.024) 4.827 1.248 ( -0.299 0.000 -0.431) 0.525 1.299 ( -0.900 0.000 0.374) 0.975 1.310 ( 0.180 0.000 -5.167) 5.170 1.340 ( 0.560 0.000 -0.914) 1.072 1.386 ( 2.986 0.000 0.252) 2.996 1.415 ( 0.262 0.000 0.156) 0.305 1.500 ( -4.251 0.000 -3.401) 5.444 1.512 ( 0.106 0.000 0.106) 0.150 1.580 ( -2.583 0.000 0.544) 2.640 1.794 ( -1.080 0.000 -1.629) 1.954 1.865 ( 3.624 0.000 1.452) 3.904 1.925 ( -1.881 0.000 0.451) 1.934 1.961 ( 0.361 0.000 2.592) 2.617 2.159 ( -0.601 0.000 -3.046) 3.104 2.652 ( -0.580 0.000 -0.582) 0.821 2.797 ( 0.405 0.000 2.671) 2.702 2.971 ( 0.275 0.000 -1.635) 1.658 2.995 ( -0.275 0.000 0.516) 0.585 3.042 ( -2.683 0.000 -0.572) 2.743 3.111 ( -4.168 0.000 1.344) 4.379 3.187 ( 0.175 0.000 0.025) 0.177 3.437 ( -5.361 0.000 0.868) 5.431 3.685 ( 0.272 0.000 0.173) 0.322 3.754 ( -0.107 0.000 -0.396) 0.410 3.820 ( 0.201 0.000 0.596) 0.629 3.829 ( -0.371 0.000 0.365) 0.521 3.852 ( 1.114 0.000 0.138) 1.123 3.915 ( 0.300 0.000 -0.150) 0.335 4.014 ( 1.663 0.000 0.408) 1.713 4.089 ( 3.164 0.000 -0.964) 3.307 4.242 ( -4.616 0.000 0.274) 4.624 4.539 ( 6.673 0.000 -2.236) 7.038 4.776 ( -0.540 0.000 3.027) 3.075 4.946 ( 1.091 0.000 -1.617) 1.950 5.921 ( -0.019 0.000 0.442) 0.443 5.963 ( 0.240 0.000 -0.647) 0.690 6.170 ( -0.020 0.000 0.171) 0.172 6.394 ( 0.953 0.000 0.068) 0.955 ======================= Grid point 92 (30/98) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 14.362 0.000 5.601) 15.415 0.470 ( 16.706 0.000 1.989) 16.825 0.536 ( 13.310 0.000 -0.915) 13.341 0.637 ( 12.639 0.000 -5.414) 13.750 0.770 ( 11.130 0.000 15.716) 19.258 0.915 ( 4.467 0.000 0.100) 4.468 0.948 ( -0.506 0.000 -0.231) 0.556 0.955 ( 4.915 0.000 -0.667) 4.960 1.049 ( 3.278 0.000 -5.743) 6.613 1.199 ( -3.064 0.000 0.816) 3.170 1.232 ( -0.547 0.000 1.025) 1.162 1.263 ( -3.198 0.000 0.342) 3.216 1.273 ( -2.273 0.000 -0.858) 2.430 1.321 ( -3.089 0.000 -0.358) 3.110 1.388 ( -2.657 0.000 -0.145) 2.661 1.405 ( 7.417 0.000 -9.657) 12.177 1.493 ( -1.889 0.000 0.046) 1.889 1.510 ( 3.979 0.000 -0.481) 4.008 1.703 ( 4.912 0.000 -5.763) 7.572 1.746 ( -0.856 0.000 -2.376) 2.525 1.975 ( 5.755 0.000 -1.260) 5.891 2.013 ( 5.849 0.000 -0.166) 5.851 2.186 ( 19.565 0.000 1.910) 19.658 2.316 ( 18.203 0.000 -2.218) 18.338 2.579 ( -6.378 0.000 0.705) 6.417 2.784 ( -4.396 0.000 2.755) 5.188 2.884 ( -6.273 0.000 -1.156) 6.378 2.984 ( -2.725 0.000 6.143) 6.720 3.014 ( -2.831 0.000 1.281) 3.107 3.043 ( 4.656 0.000 0.526) 4.686 3.218 ( 2.675 0.000 0.015) 2.675 3.385 ( -2.195 0.000 3.195) 3.876 3.690 ( 0.450 0.000 -0.255) 0.517 3.755 ( 0.120 0.000 0.222) 0.252 3.813 ( 2.798 0.000 0.140) 2.801 3.841 ( 1.418 0.000 0.117) 1.423 3.938 ( 1.353 0.000 -0.192) 1.366 3.952 ( 2.884 0.000 -3.541) 4.567 4.019 ( 1.147 0.000 -0.049) 1.148 4.096 ( -2.835 0.000 -0.991) 3.003 4.419 ( 15.821 0.000 -0.908) 15.847 4.780 ( 15.512 0.000 -9.041) 17.954 4.840 ( 5.392 0.000 0.567) 5.422 5.019 ( 7.571 0.000 -2.005) 7.832 5.919 ( -0.428 0.000 0.367) 0.563 5.955 ( -0.545 0.000 -0.703) 0.889 6.140 ( -2.674 0.000 1.651) 3.143 6.354 ( -3.951 0.000 0.739) 4.020 ======================= Grid point 93 (31/98) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 6.841 0.000 5.036) 8.495 0.764 ( 14.116 0.000 0.164) 14.117 0.771 ( 5.623 0.000 -6.606) 8.675 0.797 ( 13.889 0.000 -0.073) 13.889 0.860 ( -7.955 0.000 1.066) 8.026 1.013 ( 4.982 0.000 0.159) 4.984 1.048 ( 4.523 0.000 -0.589) 4.561 1.105 ( 13.683 0.000 -0.200) 13.684 1.124 ( -0.535 0.000 -0.966) 1.104 1.173 ( 7.583 0.000 4.762) 8.954 1.176 ( -6.712 0.000 0.609) 6.740 1.215 ( -7.452 0.000 -0.327) 7.459 1.217 ( 0.383 0.000 -2.752) 2.779 1.274 ( 3.294 0.000 1.367) 3.566 1.338 ( -2.415 0.000 -0.061) 2.416 1.454 ( -2.029 0.000 -0.065) 2.030 1.509 ( 2.683 0.000 -1.923) 3.301 1.573 ( 5.220 0.000 -4.601) 6.958 1.659 ( -2.333 0.000 -3.826) 4.481 1.779 ( 4.113 0.000 -0.775) 4.185 2.015 ( -1.169 0.000 -0.992) 1.533 2.042 ( -1.070 0.000 -0.092) 1.074 2.477 ( -4.566 0.000 1.854) 4.929 2.569 ( 18.046 0.000 -0.537) 18.054 2.707 ( -4.770 0.000 1.646) 5.046 2.711 ( 20.789 0.000 0.526) 20.795 2.788 ( -3.490 0.000 0.663) 3.552 2.972 ( -2.588 0.000 1.258) 2.878 3.010 ( 0.696 0.000 2.594) 2.685 3.144 ( 4.835 0.000 0.420) 4.853 3.262 ( 1.247 0.000 -0.034) 1.248 3.341 ( -2.800 0.000 0.235) 2.810 3.703 ( 1.171 0.000 -0.561) 1.299 3.756 ( -0.166 0.000 0.188) 0.251 3.861 ( 0.170 0.000 0.298) 0.343 3.903 ( 4.529 0.000 1.307) 4.714 3.937 ( -1.302 0.000 -0.200) 1.318 3.966 ( 1.217 0.000 -0.945) 1.541 4.052 ( -1.052 0.000 -0.414) 1.131 4.062 ( 2.780 0.000 -0.339) 2.800 4.695 ( 11.574 0.000 3.033) 11.965 4.887 ( 1.729 0.000 -0.354) 1.765 4.971 ( 8.091 0.000 -5.061) 9.543 5.159 ( 8.049 0.000 -3.068) 8.614 5.913 ( -0.336 0.000 0.220) 0.402 5.937 ( -0.758 0.000 -0.633) 0.987 6.105 ( -2.185 0.000 0.897) 2.362 6.286 ( -3.294 0.000 0.518) 3.335 ======================= Grid point 94 (32/98) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( -12.038 0.000 -2.368) 12.269 0.830 ( 4.638 0.000 -4.924) 6.765 0.887 ( 5.837 0.000 4.759) 7.531 0.986 ( -3.843 0.000 -0.117) 3.845 0.996 ( 7.202 0.000 -0.025) 7.202 1.015 ( -4.811 0.000 -0.158) 4.813 1.042 ( 0.927 0.000 0.830) 1.244 1.055 ( -4.819 0.000 0.486) 4.843 1.083 ( 0.518 0.000 -0.461) 0.693 1.122 ( 0.023 0.000 -0.125) 0.127 1.139 ( -1.977 0.000 -2.347) 3.069 1.283 ( 1.185 0.000 2.143) 2.448 1.311 ( 0.102 0.000 -0.035) 0.108 1.342 ( 7.274 0.000 -5.904) 9.369 1.376 ( -13.105 0.000 0.649) 13.122 1.431 ( -0.091 0.000 -0.041) 0.100 1.464 ( 10.442 0.000 2.463) 10.729 1.570 ( -2.565 0.000 1.221) 2.841 1.667 ( 2.292 0.000 -4.720) 5.247 1.886 ( 7.422 0.000 -0.424) 7.434 1.942 ( -3.213 0.000 -2.896) 4.326 2.040 ( 0.307 0.000 1.447) 1.479 2.448 ( 0.216 0.000 1.864) 1.877 2.647 ( -1.758 0.000 0.668) 1.880 2.756 ( 0.106 0.000 -0.248) 0.270 2.760 ( -0.596 0.000 1.548) 1.658 2.941 ( 0.211 0.000 0.546) 0.585 2.946 ( -0.757 0.000 1.328) 1.528 3.019 ( -0.822 0.000 0.754) 1.116 3.198 ( 0.121 0.000 0.004) 0.121 3.256 ( -0.565 0.000 0.100) 0.574 3.317 ( 0.234 0.000 0.008) 0.234 3.716 ( 0.371 0.000 -0.806) 0.887 3.752 ( -0.418 0.000 0.214) 0.470 3.859 ( 0.030 0.000 0.331) 0.333 3.916 ( 0.142 0.000 -0.042) 0.148 3.937 ( -0.795 0.000 0.185) 0.816 3.999 ( 0.684 0.000 1.122) 1.314 4.044 ( 0.268 0.000 -0.046) 0.272 4.098 ( 0.976 0.000 -0.103) 0.981 4.814 ( -2.950 0.000 2.189) 3.674 4.898 ( 1.469 0.000 0.733) 1.642 5.054 ( 3.023 0.000 -1.827) 3.532 5.249 ( 3.593 0.000 -3.947) 5.338 5.914 ( 0.413 0.000 0.347) 0.540 5.922 ( -0.532 0.000 -0.230) 0.579 6.066 ( -2.103 0.000 -0.433) 2.147 6.255 ( -0.388 0.000 0.574) 0.693 ======================= Grid point 95 (33/98) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.375 ( -11.552 0.000 6.283) 13.150 0.764 ( -14.478 0.000 0.220) 14.480 0.788 ( -14.222 0.000 -0.134) 14.223 0.879 ( -4.155 0.000 -2.710) 4.961 0.937 ( 1.132 0.000 -2.767) 2.990 0.999 ( -10.381 0.000 3.690) 11.017 1.012 ( -5.022 0.000 0.093) 5.022 1.052 ( -4.295 0.000 -0.509) 4.325 1.065 ( -5.956 0.000 -3.409) 6.863 1.076 ( -3.103 0.000 2.015) 3.700 1.175 ( 7.205 0.000 0.531) 7.225 1.220 ( 7.321 0.000 -0.254) 7.325 1.294 ( -0.760 0.000 -0.423) 0.870 1.340 ( 2.435 0.000 -0.064) 2.435 1.384 ( -1.284 0.000 -0.405) 1.346 1.449 ( 1.850 0.000 -0.065) 1.851 1.507 ( -4.636 0.000 -2.300) 5.175 1.588 ( 2.324 0.000 -1.012) 2.535 1.688 ( 4.343 0.000 -2.967) 5.260 1.817 ( -6.772 0.000 -1.639) 6.967 2.045 ( 1.587 0.000 -0.288) 1.613 2.071 ( 7.489 0.000 -3.026) 8.077 2.509 ( 4.688 0.000 2.141) 5.154 2.549 ( -20.031 0.000 -0.394) 20.035 2.668 ( 2.915 0.000 2.067) 3.573 2.741 ( -18.611 0.000 0.374) 18.614 2.772 ( 0.605 0.000 0.861) 1.052 2.963 ( 1.551 0.000 1.460) 2.130 3.016 ( 0.024 0.000 2.546) 2.546 3.145 ( -5.094 0.000 0.482) 5.117 3.251 ( -1.242 0.000 -0.088) 1.245 3.334 ( 0.869 0.000 0.228) 0.898 3.704 ( -0.871 0.000 -0.640) 1.081 3.747 ( -0.138 0.000 0.288) 0.319 3.868 ( 0.032 0.000 0.290) 0.292 3.902 ( -2.978 0.000 0.795) 3.083 3.937 ( 1.159 0.000 -0.211) 1.178 3.979 ( -2.415 0.000 -0.681) 2.510 4.051 ( 0.309 0.000 0.305) 0.434 4.099 ( -0.302 0.000 -0.824) 0.878 4.699 ( -8.865 0.000 2.306) 9.161 4.897 ( -2.969 0.000 0.934) 3.113 5.049 ( -2.285 0.000 -1.330) 2.644 5.213 ( -3.472 0.000 -10.399) 10.963 5.915 ( -0.160 0.000 0.157) 0.224 5.935 ( 1.268 0.000 0.488) 1.359 6.037 ( -0.658 0.000 1.813) 1.929 6.274 ( 1.786 0.000 0.539) 1.866 ======================= Grid point 96 (34/98) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.316 ( -4.162 0.000 15.762) 16.302 0.445 ( -19.954 0.000 1.706) 20.026 0.533 ( -12.112 0.000 -0.617) 12.128 0.548 ( -23.097 0.000 6.191) 23.913 0.730 ( -13.129 0.000 -3.913) 13.700 0.916 ( -4.463 0.000 0.080) 4.463 0.950 ( -2.698 0.000 0.386) 2.726 0.957 ( -4.522 0.000 -0.623) 4.565 1.060 ( 3.551 0.000 -2.291) 4.226 1.123 ( 2.882 0.000 -0.390) 2.908 1.266 ( -1.650 0.000 0.367) 1.690 1.278 ( 3.125 0.000 0.528) 3.170 1.318 ( 3.249 0.000 -0.560) 3.297 1.370 ( -0.628 0.000 -2.964) 3.030 1.371 ( -3.780 0.000 -2.406) 4.481 1.385 ( 2.336 0.000 -0.147) 2.341 1.488 ( 2.041 0.000 0.059) 2.042 1.615 ( -2.712 0.000 -1.331) 3.021 1.652 ( -1.083 0.000 -5.447) 5.554 1.767 ( 2.874 0.000 -3.134) 4.253 1.994 ( -5.203 0.000 -0.273) 5.211 2.095 ( -6.352 0.000 -8.912) 10.944 2.145 ( -19.574 0.000 1.078) 19.604 2.368 ( -18.186 0.000 -1.403) 18.240 2.619 ( 4.356 0.000 -0.066) 4.357 2.763 ( 2.452 0.000 2.318) 3.374 2.830 ( 8.917 0.000 3.809) 9.696 3.029 ( 3.686 0.000 1.293) 3.906 3.046 ( -5.083 0.000 0.565) 5.115 3.053 ( 1.794 0.000 4.168) 4.538 3.211 ( -2.346 0.000 -0.009) 2.346 3.343 ( -0.306 0.000 4.590) 4.600 3.686 ( -0.531 0.000 -0.261) 0.591 3.752 ( 0.387 0.000 0.231) 0.451 3.850 ( -1.800 0.000 0.138) 1.806 3.852 ( -2.910 0.000 0.930) 3.055 3.933 ( -1.283 0.000 -0.216) 1.301 3.936 ( 0.039 0.000 -3.200) 3.200 4.040 ( -1.662 0.000 -1.550) 2.273 4.099 ( 1.127 0.000 -1.207) 1.652 4.548 ( -8.273 0.000 0.145) 8.275 4.794 ( -11.250 0.000 -8.850) 14.314 4.878 ( -18.148 0.000 -12.729) 22.167 4.993 ( -4.584 0.000 -3.039) 5.500 5.916 ( 0.115 0.000 0.301) 0.322 5.956 ( 0.931 0.000 -0.609) 1.112 6.096 ( 4.133 0.000 5.623) 6.979 6.324 ( 3.059 0.000 1.802) 3.550 ======================= Grid point 97 (35/98) ======================= q-point: ( 0.00 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( 1.884 12.681 8.543) 15.405 0.501 ( -1.456 13.590 8.014) 15.844 0.665 ( 0.042 17.798 0.015) 17.798 0.677 ( 1.289 23.058 5.123) 23.655 0.710 ( -0.237 14.017 -5.141) 14.932 0.953 ( -1.564 3.436 0.727) 3.844 0.997 ( 0.062 5.842 -1.973) 6.167 1.042 ( 0.790 8.529 0.482) 8.579 1.068 ( 1.201 2.833 -2.787) 4.151 1.171 ( 0.891 0.610 -0.219) 1.102 1.247 ( -1.319 0.248 -0.722) 1.524 1.272 ( 0.732 -1.323 -3.838) 4.125 1.364 ( -1.269 5.384 -0.392) 5.545 1.376 ( -0.363 0.120 -0.886) 0.964 1.395 ( 2.540 4.306 -0.477) 5.022 1.438 ( -1.751 1.158 0.103) 2.101 1.572 ( -0.834 8.331 0.450) 8.385 1.675 ( -1.332 11.786 -2.554) 12.132 1.703 ( 0.687 14.180 0.735) 14.216 1.778 ( 2.156 0.943 -3.360) 4.103 1.815 ( 3.318 -0.477 -1.805) 3.807 1.909 ( -1.312 5.128 0.636) 5.332 2.570 ( -3.323 10.103 -1.236) 10.708 2.594 ( 1.803 8.637 -1.114) 8.893 2.740 ( -0.397 9.870 -0.285) 9.883 2.801 ( 2.019 7.490 4.227) 8.834 2.960 ( -0.656 -2.238 0.064) 2.333 3.011 ( 0.681 3.383 0.402) 3.474 3.065 ( -3.314 3.879 -0.227) 5.107 3.193 ( 1.825 10.117 -3.519) 10.866 3.401 ( -1.716 17.107 -1.211) 17.236 3.524 ( -3.119 4.035 -1.120) 5.222 3.743 ( -2.828 -0.400 0.066) 2.857 3.775 ( -1.392 -4.853 0.324) 5.059 3.786 ( 0.239 -1.499 0.036) 1.518 3.828 ( 3.669 -1.595 0.180) 4.005 3.881 ( -0.602 -2.442 -0.414) 2.549 3.953 ( -3.980 2.414 -3.357) 5.738 3.975 ( -0.402 9.599 -8.656) 12.932 4.051 ( 9.835 -1.273 -3.411) 10.487 4.210 ( -7.538 -1.807 -0.416) 7.763 4.503 ( 6.055 -2.956 -1.801) 6.975 4.717 ( -0.442 -5.796 2.861) 6.479 4.889 ( 0.806 -5.618 -1.488) 5.868 5.913 ( -0.036 -0.697 0.288) 0.755 5.958 ( 0.154 -0.313 -0.522) 0.627 6.097 ( 0.001 -4.427 4.037) 5.991 6.330 ( 0.329 -3.619 1.246) 3.842 ======================= Grid point 98 (36/98) ======================= q-point: ( 0.17 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 3.872 10.865 4.241) 12.290 0.604 ( 3.514 7.574 0.148) 8.351 0.664 ( 4.105 6.109 6.917) 10.100 0.808 ( 7.489 10.633 -2.605) 13.264 0.916 ( 2.347 5.405 1.909) 6.194 0.950 ( 9.210 8.616 0.842) 12.640 1.017 ( 4.271 6.880 -2.687) 8.532 1.057 ( 1.904 8.311 1.027) 8.588 1.111 ( 5.229 4.890 -3.530) 7.982 1.150 ( -3.872 -2.382 1.825) 4.898 1.221 ( -0.645 0.660 0.291) 0.968 1.263 ( -1.641 0.164 -0.681) 1.784 1.288 ( -5.268 0.225 -0.229) 5.278 1.332 ( -1.082 2.492 -4.360) 5.137 1.382 ( -2.415 4.247 -0.376) 4.901 1.463 ( 0.751 1.363 0.072) 1.558 1.573 ( 2.035 5.867 -0.397) 6.223 1.645 ( 1.818 12.005 -3.420) 12.615 1.749 ( 4.098 9.228 -0.702) 10.121 1.797 ( 1.784 3.529 -0.950) 4.067 1.888 ( 1.506 2.890 0.582) 3.310 1.916 ( 5.542 0.041 -2.300) 6.000 2.494 ( -2.795 4.936 0.259) 5.679 2.668 ( 1.833 0.368 0.634) 1.975 2.750 ( 3.688 14.560 -0.943) 15.050 2.869 ( 1.634 3.588 3.843) 5.506 2.905 ( -4.233 7.728 -0.626) 8.834 2.992 ( -3.728 1.609 -0.083) 4.061 3.029 ( 0.434 15.683 -1.331) 15.746 3.162 ( -3.659 7.669 -0.305) 8.503 3.291 ( -1.702 12.253 1.830) 12.505 3.482 ( -1.832 6.378 1.959) 6.919 3.657 ( -2.992 -3.227 -0.346) 4.414 3.723 ( -2.266 -5.107 0.432) 5.604 3.764 ( -2.636 -4.415 0.284) 5.150 3.815 ( 2.326 0.118 0.892) 2.494 3.881 ( -1.027 -4.257 -0.265) 4.387 3.966 ( 2.201 -4.095 -0.939) 4.743 3.992 ( 3.150 1.881 -1.692) 4.040 4.091 ( -1.596 -0.109 -1.935) 2.511 4.369 ( 14.733 -4.358 -0.663) 15.378 4.713 ( 11.396 -6.186 -5.987) 14.282 4.767 ( 6.174 -6.408 -0.738) 8.929 4.930 ( 4.845 -8.222 -1.501) 9.660 5.914 ( -0.063 -0.482 0.238) 0.541 5.953 ( -0.347 -0.062 -0.488) 0.602 6.102 ( -1.442 -2.867 2.494) 4.064 6.316 ( -2.327 -3.002 0.628) 3.850 ======================= Grid point 99 (37/98) ======================= q-point: ( 0.33 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 8.664 -0.591 3.126) 9.229 0.698 ( 7.431 -0.739 -3.532) 8.261 0.785 ( -0.338 -0.059 -0.439) 0.557 0.866 ( -0.708 0.875 5.363) 5.480 0.908 ( 6.511 4.612 -2.699) 8.423 1.017 ( -3.996 -1.968 0.470) 4.479 1.077 ( -0.100 0.161 -0.375) 0.420 1.083 ( -1.219 -0.215 0.136) 1.245 1.119 ( -4.943 -1.065 -0.938) 5.143 1.164 ( -2.959 -1.492 -1.379) 3.589 1.230 ( 6.220 4.078 -2.945) 7.999 1.254 ( 1.104 3.204 2.558) 4.246 1.262 ( 2.945 2.924 0.862) 4.239 1.308 ( 3.196 8.793 0.963) 9.406 1.360 ( 2.969 3.955 -3.668) 6.157 1.456 ( 0.134 4.311 -0.227) 4.319 1.622 ( 2.999 3.034 -1.462) 4.509 1.722 ( 6.765 10.245 -2.816) 12.596 1.780 ( -2.014 10.182 -1.953) 10.561 1.811 ( 2.548 8.943 0.620) 9.319 1.968 ( 4.285 -2.413 2.456) 5.497 1.995 ( 3.360 0.159 -3.580) 4.912 2.465 ( -1.503 1.609 1.790) 2.837 2.655 ( -2.629 -2.780 1.517) 4.116 2.794 ( -1.223 1.331 0.406) 1.853 2.882 ( 3.816 13.968 -0.318) 14.483 2.915 ( 1.297 3.850 1.202) 4.237 2.933 ( -1.994 0.174 1.008) 2.241 3.038 ( 1.885 15.866 0.917) 16.004 3.160 ( 0.845 -3.816 0.918) 4.015 3.298 ( 0.027 7.543 0.196) 7.545 3.436 ( -3.113 5.172 0.016) 6.037 3.638 ( -0.015 -9.059 -0.282) 9.064 3.672 ( -3.032 -9.195 0.129) 9.683 3.728 ( -1.030 -4.392 0.011) 4.511 3.808 ( -3.424 -8.186 0.431) 8.884 3.916 ( 3.964 0.604 1.295) 4.213 4.013 ( 2.021 -3.445 0.612) 4.041 4.022 ( 1.818 0.638 -1.711) 2.577 4.059 ( -0.739 -0.045 -0.843) 1.122 4.621 ( 9.827 -6.896 3.266) 12.442 4.781 ( 1.202 -10.209 0.089) 10.280 4.895 ( 7.016 -7.118 -5.000) 11.175 5.035 ( 6.799 -11.579 -2.693) 13.695 5.915 ( 0.063 0.090 0.118) 0.161 5.941 ( -0.600 0.507 -0.340) 0.856 6.084 ( -1.631 -1.745 0.770) 2.510 6.270 ( -2.384 -1.477 0.308) 2.821 ======================= Grid point 100 (38/98) ======================= q-point: (-0.50 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( -9.928 2.202 -1.666) 10.305 0.794 ( 5.659 -2.410 -4.187) 7.441 0.817 ( 0.704 -4.432 2.230) 5.011 0.886 ( -4.235 -6.333 1.215) 7.715 0.927 ( -7.149 -4.548 0.544) 8.491 0.988 ( 5.688 -0.966 -0.113) 5.770 1.040 ( 5.873 1.142 0.120) 5.984 1.080 ( 0.229 0.384 -0.266) 0.520 1.092 ( -1.229 -0.108 -0.456) 1.316 1.135 ( -0.137 0.668 -0.582) 0.897 1.208 ( -2.083 5.591 0.527) 5.990 1.252 ( 0.149 -1.650 1.390) 2.163 1.338 ( -1.618 0.540 1.315) 2.154 1.353 ( 1.041 3.276 -2.563) 4.288 1.432 ( 6.433 7.000 -4.406) 10.478 1.518 ( 2.115 6.500 -1.348) 6.967 1.633 ( -3.557 3.104 0.458) 4.743 1.706 ( 0.832 11.001 0.195) 11.034 1.774 ( -2.296 13.261 -0.598) 13.471 1.895 ( 4.440 3.155 0.135) 5.449 1.981 ( -2.252 4.749 -2.850) 5.979 2.037 ( 2.568 0.790 0.748) 2.789 2.462 ( 0.367 1.886 1.751) 2.600 2.618 ( -1.358 -2.488 0.963) 2.994 2.782 ( -0.437 2.076 1.515) 2.607 2.912 ( -0.801 -1.246 1.082) 1.834 2.926 ( -0.254 -5.682 0.568) 5.716 2.942 ( -0.427 13.330 0.496) 13.346 3.089 ( 0.066 10.679 0.463) 10.689 3.160 ( -0.170 -6.152 -0.284) 6.161 3.296 ( -0.165 6.499 0.311) 6.509 3.399 ( 0.214 3.217 -0.396) 3.248 3.618 ( -0.574 -15.146 0.474) 15.164 3.662 ( 1.093 -5.889 -0.557) 6.016 3.719 ( -0.229 -3.357 0.132) 3.367 3.767 ( -0.102 -10.165 0.293) 10.170 3.967 ( -0.447 0.650 1.476) 1.674 4.009 ( -1.194 -1.770 -0.359) 2.164 4.048 ( -0.174 -0.881 0.020) 0.898 4.068 ( 2.430 -1.998 -0.486) 3.183 4.717 ( -2.515 -9.217 2.259) 9.817 4.793 ( 0.837 -10.050 0.733) 10.111 4.961 ( 2.354 -8.962 -1.916) 9.462 5.114 ( 3.264 -12.724 -3.314) 13.548 5.919 ( 0.188 0.155 0.070) 0.254 5.930 ( -0.303 1.058 0.115) 1.107 6.052 ( -1.725 -1.192 -0.605) 2.182 6.247 ( -0.150 -0.646 0.447) 0.800 ======================= Grid point 101 (39/98) ======================= q-point: (-0.33 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( -9.231 6.018 4.625) 11.950 0.629 ( -12.970 -4.333 1.746) 13.786 0.780 ( -7.481 0.193 0.065) 7.484 0.882 ( 5.412 -1.026 -4.272) 6.970 0.975 ( 3.471 -1.547 1.501) 4.086 1.024 ( -2.711 3.038 1.104) 4.219 1.060 ( 0.349 2.004 -2.365) 3.120 1.073 ( -1.706 2.538 -0.432) 3.088 1.107 ( 1.011 -0.108 -0.232) 1.043 1.183 ( -0.822 1.754 -1.227) 2.293 1.202 ( 1.915 3.609 1.850) 4.485 1.240 ( -3.794 8.226 -0.701) 9.086 1.284 ( 1.809 -0.806 0.948) 2.196 1.371 ( -0.128 4.642 -2.707) 5.375 1.408 ( -2.974 4.976 -1.276) 5.935 1.476 ( -0.762 3.639 -0.026) 3.718 1.608 ( -1.616 2.010 -1.328) 2.901 1.688 ( -2.952 12.781 -0.765) 13.139 1.769 ( 3.224 5.819 -0.842) 6.706 1.880 ( -5.757 9.082 -1.688) 10.885 1.902 ( -4.762 -5.038 -0.769) 6.975 2.054 ( -1.871 0.723 -0.821) 2.167 2.505 ( 2.549 0.849 1.660) 3.158 2.638 ( 2.198 -2.491 1.671) 3.719 2.781 ( -1.160 1.538 0.664) 2.038 2.873 ( -4.360 12.612 -0.442) 13.352 2.924 ( -0.282 0.773 1.242) 1.490 2.927 ( 1.109 2.932 0.810) 3.238 3.056 ( -0.128 15.868 0.901) 15.894 3.162 ( -0.570 -2.636 1.157) 2.935 3.286 ( -1.144 8.475 0.044) 8.552 3.432 ( 2.387 5.123 0.025) 5.652 3.633 ( 1.149 -10.625 -0.211) 10.689 3.691 ( 2.519 -7.393 0.031) 7.811 3.721 ( 0.609 -3.085 0.041) 3.144 3.811 ( 3.632 -9.079 0.415) 9.787 3.923 ( -4.602 -0.781 1.510) 4.906 3.970 ( -2.409 -1.713 -1.061) 3.141 4.045 ( -0.415 -1.156 0.045) 1.229 4.094 ( 0.798 -0.812 -1.107) 1.588 4.625 ( -7.458 -6.898 2.460) 10.453 4.786 ( -2.611 -10.575 0.978) 10.936 4.954 ( -1.658 -9.047 -1.324) 9.293 5.077 ( -4.583 -11.895 -7.868) 14.980 5.916 ( -0.321 0.060 0.150) 0.359 5.940 ( 0.872 0.631 0.405) 1.150 6.025 ( -0.795 -1.033 0.988) 1.636 6.265 ( 1.503 -0.821 0.292) 1.737 ======================= Grid point 102 (40/98) ======================= q-point: (-0.17 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.393 ( -1.466 8.248 12.838) 15.329 0.451 ( -5.930 9.637 4.758) 12.275 0.670 ( -3.066 9.634 -1.172) 10.178 0.840 ( -6.744 10.544 -2.767) 12.818 0.908 ( -16.858 18.174 -0.640) 24.797 0.991 ( -2.502 3.901 0.231) 4.640 1.022 ( -0.667 4.424 -0.915) 4.567 1.032 ( 0.221 3.871 -1.403) 4.124 1.063 ( -0.086 3.948 0.979) 4.068 1.132 ( 2.583 1.461 0.210) 2.975 1.250 ( 2.884 -1.077 -0.988) 3.233 1.291 ( -1.052 0.697 -1.661) 2.086 1.318 ( 4.645 1.444 -0.768) 4.925 1.362 ( 0.535 3.318 -1.258) 3.589 1.402 ( 0.504 3.449 -0.507) 3.522 1.469 ( -1.254 2.015 0.128) 2.377 1.555 ( 0.841 6.923 0.130) 6.975 1.688 ( 1.206 9.285 -1.794) 9.533 1.745 ( -4.296 8.058 -2.434) 9.450 1.782 ( -4.147 -0.723 -0.086) 4.210 1.815 ( 0.508 7.043 -2.173) 7.388 1.965 ( -5.272 0.818 -0.753) 5.388 2.554 ( 1.694 2.891 0.081) 3.352 2.666 ( -2.161 0.095 0.511) 2.223 2.751 ( -0.845 0.373 0.269) 0.962 2.784 ( -3.697 23.205 0.904) 23.515 2.942 ( 1.652 -1.548 0.676) 2.362 2.981 ( 2.452 -0.160 0.674) 2.548 3.104 ( 0.051 9.447 -0.464) 9.458 3.188 ( 2.793 8.957 -2.251) 9.648 3.317 ( 8.694 18.556 1.651) 20.558 3.470 ( 1.628 7.715 2.852) 8.384 3.657 ( 2.898 -3.401 -0.227) 4.474 3.740 ( 1.645 -2.437 1.037) 3.118 3.749 ( 2.582 -5.673 -0.419) 6.247 3.833 ( -4.173 -2.445 1.211) 4.986 3.874 ( 1.138 -4.771 -0.229) 4.910 3.928 ( -0.116 -1.467 -1.697) 2.246 4.023 ( -1.564 -2.017 -0.990) 2.738 4.091 ( 0.042 -0.616 -1.998) 2.091 4.501 ( -6.994 -3.771 0.607) 7.969 4.703 ( -10.557 -7.268 -6.135) 14.210 4.786 ( -14.640 -7.211 -7.183) 17.830 4.912 ( -2.047 -7.393 -1.642) 7.845 5.913 ( -0.139 -0.344 0.203) 0.423 5.955 ( 0.607 0.003 -0.438) 0.749 6.049 ( 1.117 -2.838 4.817) 5.701 6.299 ( 1.730 -1.869 0.717) 2.646 ======================= Grid point 103 (41/98) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( 0.477 5.928 11.857) 13.265 0.848 ( 0.067 14.467 1.853) 14.586 0.923 ( 2.144 5.379 -2.883) 6.469 0.973 ( -5.990 9.110 -2.081) 11.100 1.027 ( -1.907 5.094 -1.314) 5.596 1.072 ( 0.678 12.246 0.432) 12.273 1.099 ( 3.159 4.759 -0.049) 5.713 1.121 ( 1.701 3.386 0.126) 3.791 1.165 ( -0.484 1.915 -0.680) 2.089 1.188 ( 2.020 1.725 -1.414) 3.009 1.263 ( 1.452 1.287 -1.935) 2.741 1.293 ( -1.274 3.212 -2.669) 4.366 1.386 ( -0.209 1.341 -0.605) 1.486 1.470 ( -0.824 2.169 -1.144) 2.587 1.503 ( -0.583 7.576 0.168) 7.600 1.583 ( 1.048 13.407 -2.017) 13.599 1.745 ( -1.043 6.003 0.921) 6.162 1.784 ( 0.458 1.727 -1.851) 2.573 1.840 ( 0.924 4.112 -0.331) 4.228 1.866 ( 0.158 4.751 -1.188) 4.899 2.092 ( 1.520 20.199 1.988) 20.354 2.186 ( -0.705 20.254 -1.604) 20.329 2.559 ( -0.095 -5.534 -0.244) 5.540 2.589 ( -1.558 -1.193 1.594) 2.528 2.770 ( 0.605 1.809 1.193) 2.250 2.860 ( -1.470 -3.407 -0.093) 3.712 2.953 ( -0.455 -1.600 1.249) 2.080 3.030 ( 1.275 1.091 0.975) 1.941 3.416 ( -0.087 8.541 -1.092) 8.610 3.488 ( 0.914 14.245 -0.359) 14.279 3.567 ( 0.363 -0.554 0.216) 0.697 3.595 ( -0.133 -8.033 0.077) 8.035 3.645 ( -1.239 1.234 2.259) 2.857 3.707 ( -3.281 -2.758 1.041) 4.411 3.771 ( 2.660 -4.325 -1.155) 5.207 3.818 ( -0.426 2.373 0.783) 2.535 3.840 ( -1.242 -2.314 0.268) 2.639 3.911 ( -3.608 -4.094 0.253) 5.463 3.926 ( 3.042 11.397 3.657) 12.350 4.087 ( 5.487 -3.390 -0.187) 6.452 4.350 ( -9.246 0.898 -4.395) 10.277 4.535 ( 5.579 11.777 -9.467) 16.107 4.540 ( 0.265 -11.037 2.699) 11.365 4.724 ( 0.469 -9.461 -1.900) 9.662 5.898 ( -0.048 -0.670 0.009) 0.672 5.955 ( -0.008 0.031 -0.266) 0.268 6.029 ( 0.304 -2.427 3.229) 4.051 6.260 ( 0.001 -3.411 -0.146) 3.414 ======================= Grid point 104 (42/98) ======================= q-point: ( 0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 3.207 3.821 9.797) 10.994 0.766 ( -6.469 14.099 2.636) 15.735 0.830 ( -6.290 9.115 -2.048) 11.262 0.933 ( -1.239 3.612 -2.301) 4.458 0.953 ( -1.851 2.548 -2.029) 3.746 1.064 ( -3.589 -0.522 0.272) 3.637 1.131 ( 0.565 3.988 -1.106) 4.177 1.134 ( -3.276 1.760 -0.244) 3.727 1.176 ( 0.376 1.641 -0.158) 1.690 1.239 ( 3.368 2.781 -1.203) 4.531 1.274 ( 1.732 2.883 -1.955) 3.890 1.293 ( 0.686 3.885 -1.703) 4.297 1.319 ( -3.331 3.479 -0.785) 4.880 1.453 ( 0.015 5.176 -1.040) 5.279 1.508 ( 0.667 8.437 0.468) 8.476 1.591 ( 1.600 11.618 -2.941) 12.091 1.700 ( -1.594 5.560 -0.132) 5.786 1.785 ( -1.843 4.389 -0.339) 4.772 1.843 ( 4.004 3.538 0.767) 5.398 1.949 ( 5.879 3.730 -1.413) 7.105 2.124 ( 0.837 20.057 1.561) 20.135 2.157 ( -0.575 19.908 -2.100) 20.027 2.535 ( -1.764 -0.931 -0.001) 1.995 2.589 ( -0.266 -3.596 1.932) 4.091 2.786 ( 0.286 0.839 -0.047) 0.888 2.835 ( -1.276 -3.547 1.608) 4.098 2.949 ( -1.041 0.216 1.832) 2.119 3.059 ( 1.234 -1.912 -0.463) 2.322 3.368 ( -4.410 9.170 -0.939) 10.219 3.447 ( -6.472 0.810 -0.526) 6.544 3.522 ( -4.397 -1.873 0.370) 4.794 3.536 ( -6.539 -1.160 0.259) 6.646 3.568 ( -6.827 6.556 2.563) 9.806 3.623 ( -6.172 -1.067 -0.133) 6.265 3.690 ( -6.432 -2.591 0.357) 6.943 3.792 ( -2.982 0.925 -0.244) 3.131 3.844 ( 2.352 -1.156 1.291) 2.922 3.884 ( 3.146 -1.529 -0.373) 3.518 3.999 ( 1.558 -1.532 0.857) 2.347 4.163 ( -4.714 7.601 -1.517) 9.072 4.287 ( 9.949 -2.086 1.395) 10.260 4.516 ( -1.451 -12.591 0.044) 12.675 4.669 ( 8.579 -2.090 -6.245) 10.816 4.711 ( -0.245 -11.750 -1.727) 11.878 5.903 ( 0.581 -0.464 0.014) 0.744 5.956 ( 0.159 0.276 -0.095) 0.332 6.048 ( -0.249 -2.263 2.006) 3.034 6.251 ( -0.820 -3.258 -0.171) 3.364 ======================= Grid point 105 (43/98) ======================= q-point: ( 0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( -0.322 6.478 2.106) 6.820 0.745 ( -0.661 4.619 -1.944) 5.055 0.792 ( -2.847 1.633 -2.139) 3.918 0.891 ( 0.325 1.001 7.248) 7.324 0.957 ( -7.880 -1.935 0.357) 8.122 0.963 ( 0.360 -0.067 -1.232) 1.285 1.028 ( -4.451 0.745 -1.979) 4.928 1.109 ( -1.488 0.905 -1.523) 2.313 1.141 ( -2.789 1.958 -0.389) 3.430 1.201 ( -2.985 3.694 -0.546) 4.781 1.246 ( -0.942 0.293 0.109) 0.993 1.307 ( 1.884 2.328 -2.130) 3.676 1.352 ( 0.664 3.952 1.335) 4.224 1.452 ( 0.717 4.142 -2.757) 5.027 1.535 ( 2.009 9.728 0.259) 9.936 1.598 ( 1.269 6.889 -3.349) 7.765 1.678 ( -0.117 2.843 -1.282) 3.120 1.777 ( -0.223 0.870 0.754) 1.173 1.954 ( 5.723 3.721 1.704) 7.036 2.038 ( 3.933 6.656 -0.652) 7.759 2.156 ( 2.264 19.928 -2.424) 20.202 2.164 ( 3.073 17.903 0.339) 18.168 2.512 ( -0.622 1.093 0.356) 1.307 2.589 ( -1.440 -1.547 2.557) 3.318 2.779 ( -0.603 -2.570 0.115) 2.642 2.831 ( -0.967 -2.711 1.732) 3.359 2.938 ( -1.497 2.247 2.185) 3.473 3.048 ( -1.829 -6.775 -2.524) 7.458 3.247 ( -6.686 9.415 -0.537) 11.560 3.317 ( -5.254 -9.851 1.548) 11.271 3.376 ( -7.247 7.845 1.468) 10.781 3.408 ( -6.655 -4.377 -0.361) 7.974 3.513 ( -2.287 5.183 0.585) 5.695 3.520 ( -3.869 -6.261 0.321) 7.367 3.626 ( -1.658 -5.243 -0.423) 5.515 3.733 ( -2.772 2.127 -0.302) 3.507 3.910 ( 3.435 -2.656 1.076) 4.473 3.958 ( 4.385 -1.185 -0.538) 4.574 4.008 ( -0.962 -2.009 0.588) 2.304 4.084 ( -2.743 4.247 -1.819) 5.374 4.445 ( 3.082 -9.280 4.476) 10.754 4.501 ( 0.273 -15.648 0.531) 15.659 4.702 ( 1.705 -12.318 -3.347) 12.878 4.743 ( 2.943 -13.874 -3.459) 14.598 5.916 ( 0.649 0.025 -0.006) 0.650 5.958 ( -0.020 0.907 0.177) 0.924 6.046 ( -0.722 -1.809 0.085) 1.949 6.233 ( -0.785 -2.027 0.100) 2.176 ======================= Grid point 106 (44/98) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( -5.923 2.735 -2.070) 6.845 0.745 ( -2.865 -1.862 0.207) 3.423 0.783 ( 4.194 -0.088 -1.335) 4.402 0.793 ( -1.140 -0.004 0.135) 1.148 0.890 ( -3.756 0.944 2.686) 4.713 0.981 ( 4.150 -0.065 0.535) 4.185 1.069 ( 4.549 0.750 -0.542) 4.642 1.079 ( -0.687 0.644 -1.330) 1.629 1.100 ( 0.004 1.824 -0.139) 1.829 1.171 ( -0.347 2.760 -0.147) 2.785 1.239 ( 0.531 0.799 0.872) 1.296 1.307 ( -0.740 3.506 -0.390) 3.604 1.372 ( 0.735 2.111 1.127) 2.504 1.439 ( 0.546 4.724 -3.932) 6.170 1.560 ( 0.702 4.755 -3.033) 5.683 1.603 ( 1.215 1.790 0.392) 2.198 1.679 ( 0.608 2.274 -2.301) 3.292 1.771 ( -0.122 -0.590 1.319) 1.450 2.026 ( 0.557 4.608 0.137) 4.643 2.059 ( -2.609 9.941 0.972) 10.323 2.178 ( 0.420 16.665 -1.740) 16.761 2.219 ( 1.757 16.843 -0.581) 16.944 2.513 ( 0.234 1.220 0.346) 1.289 2.577 ( -1.375 0.822 2.782) 3.210 2.776 ( 0.181 -6.362 1.086) 6.457 2.817 ( -1.193 -0.764 0.684) 1.573 2.930 ( -0.668 2.721 1.948) 3.413 2.999 ( 0.407 -7.260 -2.681) 7.750 3.186 ( 0.928 4.439 0.007) 4.535 3.274 ( -1.238 -0.606 2.828) 3.146 3.316 ( -0.992 -10.836 -0.112) 10.881 3.342 ( 1.852 6.061 0.096) 6.339 3.477 ( -1.362 2.713 0.574) 3.090 3.492 ( 0.389 -7.348 0.364) 7.367 3.612 ( 0.564 -6.767 -0.891) 6.849 3.702 ( -0.037 3.482 -0.402) 3.505 3.955 ( -1.269 -2.673 0.815) 3.069 3.988 ( 0.513 -2.127 0.386) 2.222 4.014 ( -1.502 -1.976 -1.188) 2.752 4.042 ( 2.107 3.203 -0.259) 3.843 4.469 ( -1.268 -13.663 2.556) 13.958 4.513 ( -0.948 -16.252 1.300) 16.332 4.714 ( 0.780 -13.913 -2.248) 14.115 4.776 ( 3.567 -18.662 -2.355) 19.145 5.923 ( 0.097 0.268 0.022) 0.286 5.957 ( -0.243 1.273 0.473) 1.380 6.025 ( -0.974 -1.231 -1.075) 1.903 6.229 ( 0.189 -1.208 0.352) 1.272 ======================= Grid point 107 (45/98) ======================= q-point: (-0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( -3.899 6.981 2.731) 8.450 0.668 ( -1.922 7.141 2.195) 7.714 0.813 ( 1.361 3.453 -0.212) 3.717 0.871 ( 6.443 0.106 -2.895) 7.064 0.945 ( 5.324 -0.269 2.098) 5.729 1.062 ( 2.986 -0.282 -0.070) 3.000 1.071 ( 2.280 1.251 -2.617) 3.689 1.105 ( 1.801 1.455 0.517) 2.373 1.140 ( 1.255 2.146 0.247) 2.498 1.191 ( 1.951 0.982 -1.865) 2.872 1.281 ( 1.986 1.917 -1.014) 2.940 1.298 ( 1.109 2.740 0.804) 3.063 1.374 ( -0.821 4.699 0.953) 4.865 1.441 ( 2.435 4.014 -3.091) 5.621 1.539 ( -0.950 5.025 -0.777) 5.172 1.633 ( 1.669 1.437 -1.255) 2.534 1.651 ( -1.624 8.316 -2.467) 8.825 1.797 ( 1.311 0.816 0.465) 1.612 1.935 ( -8.073 8.458 0.534) 11.705 2.013 ( -2.485 8.496 0.727) 8.882 2.126 ( -4.499 14.011 -1.333) 14.776 2.213 ( -0.943 18.368 -1.014) 18.420 2.528 ( 1.110 -0.763 0.222) 1.365 2.586 ( 0.174 -0.314 3.038) 3.059 2.781 ( -1.296 -2.287 0.165) 2.634 2.826 ( 2.045 -2.984 1.792) 4.037 2.940 ( 0.230 1.158 1.454) 1.873 3.020 ( 1.600 -2.313 -1.849) 3.366 3.259 ( 6.523 3.666 -0.691) 7.514 3.326 ( 5.415 1.916 1.647) 5.975 3.380 ( 7.041 -9.722 0.978) 12.043 3.430 ( 6.078 3.551 -0.158) 7.041 3.481 ( 2.358 6.985 0.356) 7.381 3.534 ( 3.475 -8.547 0.654) 9.249 3.634 ( 2.178 -5.377 -0.437) 5.818 3.730 ( 3.105 2.488 -0.279) 3.989 3.894 ( -4.657 -1.316 1.119) 4.967 3.951 ( -3.439 -1.750 -0.691) 3.920 4.012 ( 0.472 -1.021 0.631) 1.290 4.082 ( 1.409 1.084 -1.715) 2.470 4.452 ( -2.397 -8.830 3.082) 9.654 4.496 ( -0.940 -16.582 1.160) 16.649 4.707 ( -0.011 -14.270 -1.083) 14.311 4.808 ( 0.997 -12.431 -5.220) 13.520 5.918 ( -0.658 0.128 0.080) 0.675 5.958 ( -0.039 0.901 0.645) 1.108 6.003 ( -0.754 -1.033 -0.299) 1.314 6.241 ( 0.763 -1.576 0.093) 1.754 ======================= Grid point 108 (46/98) ======================= q-point: (-0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( -2.732 7.898 9.742) 12.836 0.734 ( 6.767 14.492 1.489) 16.063 0.875 ( 4.697 9.099 -0.905) 10.280 0.960 ( 5.616 2.432 -3.485) 7.042 1.033 ( 1.860 1.664 0.859) 2.639 1.082 ( 1.134 3.647 -0.677) 3.879 1.101 ( -0.009 2.217 -0.455) 2.263 1.147 ( 0.171 3.330 -0.055) 3.335 1.160 ( -2.282 3.241 -1.131) 4.122 1.170 ( 1.348 2.610 0.280) 2.951 1.263 ( -0.717 1.760 -2.780) 3.368 1.332 ( 0.312 2.594 -1.672) 3.102 1.370 ( 0.769 3.698 -0.712) 3.844 1.478 ( 1.563 1.878 -0.670) 2.533 1.519 ( -1.048 6.129 -0.088) 6.219 1.595 ( -1.325 15.690 -2.659) 15.969 1.675 ( 4.237 4.290 0.036) 6.030 1.808 ( 0.288 3.436 -0.674) 3.514 1.839 ( -2.714 5.374 0.734) 6.065 1.947 ( -5.121 3.098 -1.375) 6.141 2.061 ( -0.295 20.297 0.579) 20.307 2.198 ( 0.049 19.956 -1.119) 19.988 2.549 ( 1.003 -3.149 -0.059) 3.306 2.604 ( -0.794 -2.423 2.551) 3.607 2.762 ( -0.634 0.907 0.761) 1.343 2.868 ( 0.840 -2.779 0.774) 3.004 2.949 ( -0.009 -1.858 0.932) 2.079 3.017 ( -0.393 1.352 0.055) 1.409 3.377 ( 5.135 8.591 -0.620) 10.027 3.452 ( 4.272 7.567 -0.740) 8.721 3.501 ( 5.120 -4.415 0.782) 6.805 3.527 ( 6.293 -4.183 0.254) 7.561 3.600 ( 4.253 1.507 2.039) 4.952 3.644 ( 9.011 -0.233 -0.041) 9.014 3.697 ( 5.776 -3.303 0.299) 6.661 3.790 ( 1.080 0.594 -0.157) 1.242 3.825 ( -1.329 1.767 1.411) 2.623 3.889 ( -2.357 -2.531 -0.273) 3.469 3.997 ( -3.026 2.050 1.282) 3.873 4.069 ( -0.599 -0.863 -2.188) 2.427 4.427 ( -1.821 -3.895 1.895) 4.699 4.505 ( 0.494 -12.308 1.931) 12.469 4.678 ( -5.301 -6.315 -5.884) 10.129 4.731 ( -0.983 -4.465 -5.094) 6.845 5.905 ( -0.673 -0.354 0.027) 0.761 5.959 ( -0.152 0.402 -0.106) 0.443 6.003 ( 0.137 -1.825 2.398) 3.017 6.254 ( 0.618 -2.548 -0.132) 2.625 ======================= Grid point 109 (47/98) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( -0.323 5.085 7.938) 9.433 0.964 ( 1.064 0.455 -2.610) 2.855 1.040 ( -1.808 2.642 0.152) 3.205 1.070 ( -1.632 2.160 -0.172) 2.713 1.134 ( -1.251 5.251 -0.067) 5.399 1.159 ( 1.849 1.745 -0.539) 2.599 1.186 ( -2.733 2.821 -0.239) 3.935 1.207 ( 0.479 2.007 -0.476) 2.117 1.218 ( 0.988 3.633 0.025) 3.765 1.234 ( 1.696 2.527 -1.600) 3.438 1.300 ( 3.418 2.474 -0.647) 4.268 1.384 ( -1.683 5.108 -2.287) 5.845 1.420 ( -1.059 1.182 -1.288) 2.044 1.524 ( 2.764 3.110 -4.098) 5.840 1.589 ( 0.600 0.576 -1.116) 1.391 1.747 ( -0.777 3.086 -0.472) 3.217 1.808 ( -0.130 0.632 1.003) 1.193 1.903 ( 0.833 0.622 -1.096) 1.511 1.967 ( 1.044 9.536 0.482) 9.605 1.977 ( -1.921 9.848 0.192) 10.036 2.451 ( 1.042 8.884 2.057) 9.178 2.474 ( -0.662 3.398 0.868) 3.569 2.574 ( -0.029 8.139 0.642) 8.164 2.596 ( -0.922 9.680 -0.924) 9.768 2.739 ( -0.566 -2.994 2.240) 3.781 2.888 ( -0.435 3.129 -0.642) 3.224 2.933 ( 1.525 0.812 0.782) 1.896 3.047 ( -1.947 -0.652 -0.444) 2.101 3.273 ( 1.786 -14.441 1.135) 14.595 3.380 ( -0.931 -6.164 -1.449) 6.400 3.432 ( -1.068 -15.142 0.446) 15.186 3.529 ( 1.078 -8.253 0.383) 8.331 3.637 ( -0.262 -3.291 0.153) 3.305 3.697 ( -0.337 -2.366 -0.445) 2.431 3.730 ( 0.663 2.098 1.054) 2.439 3.804 ( -0.447 -4.135 0.191) 4.164 3.823 ( 0.169 3.323 0.126) 3.329 3.933 ( 0.109 4.250 0.040) 4.251 4.002 ( -0.429 -0.316 -0.792) 0.954 4.177 ( 0.344 -10.034 -1.134) 10.104 4.296 ( 1.493 -3.522 0.253) 3.834 4.414 ( -0.501 -5.083 4.076) 6.535 4.449 ( -1.532 2.742 2.867) 4.253 4.832 ( 0.607 8.774 -7.992) 11.884 5.889 ( -0.035 -0.183 -0.114) 0.219 5.958 ( -0.241 0.050 -0.076) 0.258 5.990 ( 0.627 -1.350 1.852) 2.376 6.190 ( -0.179 -3.396 -0.601) 3.454 ======================= Grid point 110 (48/98) ======================= q-point: ( 0.17 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 1.604 2.848 6.844) 7.585 0.940 ( -4.284 3.643 -0.154) 5.625 0.966 ( -1.458 -0.326 -1.296) 1.978 1.025 ( -6.626 9.518 1.247) 11.664 1.059 ( -3.851 0.290 -1.076) 4.009 1.071 ( -6.931 7.233 -1.722) 10.165 1.157 ( -3.969 1.189 -0.429) 4.166 1.194 ( -1.746 2.401 -1.678) 3.410 1.207 ( 0.010 1.488 0.416) 1.545 1.262 ( 0.788 1.002 -0.741) 1.475 1.314 ( -1.163 1.684 -1.309) 2.430 1.362 ( -1.902 1.619 -2.071) 3.244 1.399 ( 2.158 4.550 0.185) 5.039 1.539 ( 1.784 4.211 -4.127) 6.160 1.606 ( 1.799 -0.107 -0.730) 1.944 1.723 ( -1.503 3.187 0.022) 3.524 1.795 ( -2.048 2.022 0.559) 2.932 1.867 ( -3.550 1.159 -0.580) 3.779 1.992 ( 3.462 9.149 -0.576) 9.799 2.044 ( 5.477 5.667 0.785) 7.920 2.466 ( 0.193 1.367 0.253) 1.403 2.501 ( 1.575 13.554 3.232) 14.023 2.565 ( -0.306 14.922 -1.585) 15.009 2.586 ( 0.123 2.503 -0.004) 2.506 2.750 ( 0.157 -3.582 2.129) 4.170 2.856 ( -3.057 5.273 -0.131) 6.097 2.961 ( 0.001 -1.477 2.661) 3.044 2.986 ( -3.396 -6.419 -2.822) 7.791 3.221 ( -5.796 -7.743 0.771) 9.703 3.304 ( -9.682 -13.717 1.309) 16.841 3.344 ( -2.533 -6.052 -1.295) 6.688 3.515 ( -2.504 -8.314 -0.102) 8.683 3.605 ( -3.562 -0.769 0.300) 3.656 3.670 ( -3.172 1.568 0.367) 3.557 3.709 ( -3.494 2.647 0.120) 4.385 3.810 ( 1.227 -1.625 0.143) 2.041 3.849 ( 1.384 -0.798 0.094) 1.600 3.888 ( -3.411 3.468 0.038) 4.864 3.977 ( -0.939 0.190 -0.380) 1.031 4.164 ( -1.019 -9.953 -1.042) 10.059 4.285 ( -2.324 -6.200 -0.726) 6.661 4.410 ( -3.353 -3.702 5.249) 7.246 4.434 ( -2.289 0.774 2.492) 3.471 4.731 ( -5.239 3.979 -7.614) 10.062 5.896 ( 0.839 -0.209 -0.079) 0.869 5.959 ( 0.245 -0.131 0.240) 0.367 6.010 ( 0.415 -1.357 0.871) 1.665 6.185 ( 0.041 -3.196 -0.423) 3.224 ======================= Grid point 111 (49/98) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -3.508 3.060 -1.490) 4.888 0.871 ( -7.232 6.120 0.416) 9.483 0.887 ( -3.169 5.562 3.209) 7.161 0.910 ( -4.594 2.769 2.417) 5.883 0.951 ( -4.297 1.461 -1.593) 4.809 0.969 ( -3.111 3.864 1.635) 5.223 1.093 ( -0.629 4.012 -3.323) 5.247 1.146 ( -1.234 2.283 -2.403) 3.537 1.190 ( -1.915 2.833 0.280) 3.431 1.254 ( -0.743 1.406 -1.135) 1.954 1.284 ( -1.576 3.291 1.027) 3.791 1.332 ( 0.291 0.736 -1.173) 1.415 1.426 ( -0.134 3.177 1.041) 3.346 1.540 ( 1.503 5.093 -4.351) 6.865 1.635 ( 1.215 0.526 -0.415) 1.388 1.686 ( -3.262 3.627 1.695) 5.164 1.735 ( -2.358 1.937 -2.495) 3.942 1.806 ( -2.755 2.563 1.245) 3.963 2.060 ( 3.576 4.211 -1.171) 5.648 2.143 ( 3.819 2.497 0.650) 4.609 2.487 ( 1.754 5.768 0.777) 6.079 2.530 ( 0.323 11.941 -0.679) 11.965 2.551 ( 0.106 13.529 -1.811) 13.650 2.609 ( 0.939 0.259 2.968) 3.124 2.762 ( -2.564 -1.033 2.271) 3.578 2.790 ( -1.481 2.119 0.176) 2.591 2.871 ( -3.581 -8.254 -3.114) 9.521 2.992 ( -0.409 -0.547 2.885) 2.965 3.128 ( -4.654 -10.168 0.637) 11.201 3.178 ( -3.745 -0.893 2.256) 4.462 3.282 ( -2.554 -5.142 -1.428) 5.916 3.455 ( -3.219 -8.377 -0.541) 8.991 3.510 ( -5.879 4.154 -0.388) 7.209 3.580 ( -5.528 5.182 0.623) 7.602 3.644 ( -2.343 5.625 -0.271) 6.099 3.815 ( -1.924 3.491 -0.340) 4.001 3.849 ( 2.332 -2.753 0.280) 3.619 3.906 ( 2.332 -4.121 0.139) 4.737 3.959 ( -0.679 -2.006 -0.416) 2.158 4.133 ( -1.312 -5.228 -0.683) 5.433 4.224 ( -2.774 -6.358 -0.726) 6.975 4.347 ( -7.669 -1.023 7.087) 10.492 4.410 ( -0.137 -11.276 -0.955) 11.317 4.568 ( -6.620 -4.982 -5.144) 9.752 5.914 ( 0.874 -0.275 0.008) 0.916 5.966 ( 0.097 -0.389 0.463) 0.612 6.016 ( 0.136 -0.951 -0.612) 1.139 6.187 ( 0.323 -2.506 0.121) 2.530 ======================= Grid point 112 (50/98) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( -2.359 4.346 -0.564) 4.977 0.795 ( -1.123 5.035 -1.518) 5.378 0.809 ( 0.248 5.452 0.544) 5.485 0.875 ( -1.277 5.545 -0.239) 5.695 0.942 ( -1.394 2.633 3.020) 4.242 0.981 ( 3.501 1.304 2.116) 4.294 1.086 ( 1.875 2.233 -3.222) 4.346 1.137 ( 1.253 3.698 -2.400) 4.583 1.158 ( -0.233 3.758 0.084) 3.766 1.229 ( -0.841 2.717 -0.683) 2.925 1.286 ( 0.962 3.364 1.082) 3.663 1.344 ( 0.875 0.518 -0.202) 1.036 1.420 ( -0.265 2.691 0.351) 2.727 1.539 ( 0.938 5.436 -3.412) 6.487 1.633 ( -2.033 2.546 0.561) 3.306 1.642 ( 0.112 3.697 -0.318) 3.712 1.724 ( 2.129 2.323 -1.718) 3.589 1.784 ( -0.423 2.518 1.477) 2.950 2.094 ( 0.951 1.219 -1.516) 2.166 2.177 ( -0.567 1.902 0.393) 2.023 2.501 ( -1.854 7.824 -2.381) 8.386 2.523 ( 0.476 3.547 0.560) 3.622 2.563 ( 1.335 13.821 -0.309) 13.888 2.638 ( 1.008 1.793 2.426) 3.181 2.696 ( -3.430 3.314 2.184) 5.246 2.794 ( -1.058 -2.530 1.007) 2.921 2.859 ( 3.867 -2.457 -3.603) 5.829 2.991 ( -0.960 -5.422 4.284) 6.976 3.083 ( -0.941 -3.175 0.500) 3.350 3.153 ( -1.526 -0.423 2.863) 3.272 3.268 ( 2.464 -4.923 -1.734) 5.772 3.409 ( -0.752 -8.445 -0.674) 8.506 3.429 ( -0.606 5.436 -1.431) 5.654 3.533 ( -0.023 8.716 1.270) 8.808 3.619 ( 0.000 5.323 -0.644) 5.362 3.793 ( -0.179 3.967 -0.653) 4.024 3.877 ( -0.083 -4.297 0.258) 4.305 3.932 ( -0.051 -2.734 0.247) 2.746 3.955 ( 0.497 -4.381 -0.600) 4.449 4.116 ( 0.606 0.496 -1.094) 1.345 4.194 ( -1.362 -11.974 0.434) 12.059 4.270 ( -2.643 -4.194 5.101) 7.113 4.425 ( 0.197 -13.149 -0.980) 13.187 4.479 ( 3.783 -7.995 -3.082) 9.367 5.924 ( 0.078 -0.348 0.103) 0.371 5.966 ( -0.361 -0.623 0.403) 0.825 6.009 ( -0.284 -0.284 -1.108) 1.178 6.195 ( 0.280 -2.155 0.336) 2.199 ======================= Grid point 113 (51/98) ======================= q-point: (-0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -1.932 5.047 2.942) 6.153 0.855 ( 7.123 9.455 0.052) 11.838 0.888 ( 3.772 2.245 -1.196) 4.549 0.915 ( 8.323 5.586 -0.053) 10.024 0.966 ( 2.613 2.097 2.282) 4.053 1.058 ( 3.951 0.799 -1.588) 4.333 1.116 ( 2.348 2.329 -0.905) 3.429 1.143 ( 2.301 3.317 -0.720) 4.101 1.195 ( 1.950 3.050 0.509) 3.655 1.221 ( 0.867 1.936 -1.831) 2.803 1.329 ( 2.016 1.553 0.547) 2.603 1.340 ( 0.333 2.878 -2.011) 3.527 1.436 ( 0.960 2.211 0.904) 2.574 1.522 ( -0.136 3.514 -3.434) 4.916 1.607 ( -0.845 1.124 -0.166) 1.416 1.675 ( 3.376 4.049 -0.591) 5.305 1.770 ( 3.006 3.822 -1.145) 4.996 1.808 ( 2.038 0.976 1.371) 2.644 2.075 ( -2.046 1.475 -1.198) 2.792 2.130 ( -4.537 5.846 0.437) 7.413 2.453 ( -1.949 10.374 -0.344) 10.561 2.508 ( -1.814 2.599 0.692) 3.244 2.564 ( -0.409 10.288 0.023) 10.296 2.655 ( -1.382 8.761 1.125) 8.941 2.730 ( 4.439 -1.893 1.628) 5.093 2.775 ( -0.212 -2.375 0.755) 2.501 2.897 ( 2.267 -2.027 -3.481) 4.622 3.041 ( 1.134 -1.214 4.435) 4.736 3.111 ( 5.477 -10.335 0.658) 11.715 3.154 ( 0.692 -1.966 0.247) 2.099 3.323 ( 3.785 -6.031 -0.476) 7.136 3.430 ( 2.987 -8.025 -0.590) 8.583 3.488 ( 6.596 3.734 -0.199) 7.582 3.587 ( 4.772 5.624 0.462) 7.390 3.637 ( 2.332 4.907 -0.331) 5.443 3.808 ( 2.245 3.199 -0.265) 3.918 3.858 ( -1.586 -2.298 0.372) 2.817 3.892 ( -3.518 -3.124 -0.033) 4.705 3.969 ( 1.184 -2.650 -0.401) 2.930 4.147 ( 2.756 -0.572 -1.661) 3.268 4.189 ( 1.447 -8.524 1.106) 8.717 4.312 ( 2.392 -4.763 3.526) 6.391 4.425 ( 1.145 -11.514 0.161) 11.572 4.632 ( 11.780 -4.575 -3.575) 13.133 5.917 ( -0.838 -0.333 0.075) 0.905 5.962 ( -0.277 -0.760 0.644) 1.034 5.991 ( -0.842 0.092 -0.816) 1.176 6.200 ( 0.004 -2.459 0.088) 2.460 ======================= Grid point 114 (52/98) ======================= q-point: (-0.17 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -1.949 5.679 6.615) 8.934 0.938 ( 3.167 1.469 -1.690) 3.879 0.996 ( 6.210 8.020 -0.237) 10.146 1.046 ( 3.079 2.036 2.085) 4.239 1.080 ( 7.300 2.659 -0.735) 7.804 1.113 ( 4.223 2.091 -0.547) 4.745 1.153 ( 2.310 3.188 -1.280) 4.140 1.196 ( 1.217 1.976 -1.522) 2.776 1.204 ( 0.680 2.755 -0.008) 2.838 1.234 ( 0.851 2.514 -0.152) 2.658 1.302 ( -1.421 1.990 -2.741) 3.673 1.386 ( 2.474 2.574 -0.606) 3.621 1.444 ( -0.859 3.475 -0.023) 3.579 1.506 ( 1.691 1.538 -4.408) 4.966 1.594 ( -0.292 0.980 -0.703) 1.241 1.737 ( 2.642 2.571 -0.033) 3.686 1.793 ( 0.549 1.592 0.093) 1.687 1.870 ( 3.120 1.993 -0.308) 3.715 2.007 ( -3.989 5.813 -0.613) 7.076 2.039 ( -4.811 9.096 0.659) 10.311 2.432 ( -0.434 12.325 1.203) 12.391 2.484 ( -1.048 1.132 0.651) 1.674 2.566 ( 0.192 7.237 0.748) 7.278 2.626 ( -1.808 10.216 0.051) 10.375 2.742 ( -1.249 -2.278 1.980) 3.266 2.870 ( 5.193 -0.365 0.965) 5.294 2.898 ( 0.375 -0.326 -2.569) 2.617 3.068 ( -0.558 3.347 1.988) 3.933 3.184 ( 4.827 -12.500 -0.591) 13.412 3.298 ( 10.271 -14.323 0.734) 17.641 3.387 ( 2.873 -7.131 -0.476) 7.703 3.489 ( 3.031 -7.537 -0.099) 8.124 3.601 ( 4.177 -0.707 0.350) 4.251 3.677 ( 3.497 1.490 0.725) 3.869 3.693 ( 2.617 2.028 -0.279) 3.323 3.826 ( -2.168 -3.351 0.083) 3.992 3.836 ( -0.746 1.149 0.186) 1.383 3.881 ( 4.140 3.405 0.049) 5.361 3.990 ( 1.340 -0.638 -0.402) 1.537 4.173 ( 1.104 -6.079 -1.418) 6.339 4.245 ( 3.101 -2.356 0.644) 3.947 4.377 ( 1.665 -4.534 3.602) 6.025 4.449 ( 0.314 -6.289 1.354) 6.441 4.797 ( 8.091 3.985 -5.894) 10.774 5.899 ( -0.895 -0.241 -0.059) 0.929 5.969 ( 0.166 -0.396 1.352) 1.418 5.970 ( -0.725 -0.500 -0.292) 0.928 6.197 ( -0.183 -3.023 -0.326) 3.046 ======================= Grid point 115 (53/98) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -0.567 3.912 4.380) 5.900 0.954 ( 0.015 -1.470 -2.006) 2.488 1.040 ( 0.219 -2.174 -0.224) 2.196 1.084 ( -0.708 0.868 -1.523) 1.890 1.164 ( 1.097 -0.574 -0.722) 1.433 1.188 ( 2.586 -0.904 0.909) 2.886 1.215 ( -2.522 -0.226 0.909) 2.691 1.248 ( -2.332 1.048 0.237) 2.568 1.261 ( 0.959 1.405 -0.242) 1.718 1.280 ( -0.379 1.867 0.842) 2.083 1.345 ( -0.682 0.207 -1.706) 1.849 1.415 ( 2.014 1.324 0.811) 2.543 1.499 ( -2.147 5.397 -2.954) 6.516 1.593 ( 3.915 3.125 -4.374) 6.650 1.605 ( 0.649 1.767 -4.226) 4.627 1.772 ( 0.374 -2.542 1.248) 2.856 1.822 ( -0.744 3.712 1.846) 4.212 1.888 ( -0.513 -1.700 -0.492) 1.843 2.015 ( 0.352 -2.469 -0.118) 2.497 2.154 ( -0.476 4.056 -0.325) 4.096 2.508 ( -0.627 -3.997 1.150) 4.206 2.552 ( 1.010 -2.132 0.983) 2.555 2.579 ( 0.786 -0.153 2.362) 2.494 2.704 ( -0.628 -1.513 2.895) 3.326 2.713 ( -1.422 -8.026 -0.671) 8.179 2.945 ( 1.462 5.650 -0.229) 5.841 2.959 ( -1.755 -3.772 -0.971) 4.272 3.019 ( -1.818 4.139 -2.246) 5.048 3.144 ( 3.278 -0.259 3.465) 4.776 3.209 ( -0.948 -0.509 0.392) 1.145 3.289 ( -0.057 -2.268 -0.547) 2.333 3.371 ( -0.409 -4.693 -1.646) 4.990 3.522 ( 0.008 -7.555 0.348) 7.563 3.566 ( 0.100 -9.180 -0.019) 9.181 3.704 ( 0.694 -3.317 0.627) 3.446 3.726 ( -0.846 -2.486 -0.208) 2.634 3.900 ( 0.182 2.567 0.367) 2.599 3.929 ( -0.155 -8.221 0.002) 8.223 3.969 ( 0.288 0.337 -0.386) 0.588 4.032 ( -0.034 0.859 -0.733) 1.130 4.164 ( 0.229 -8.182 1.217) 8.275 4.269 ( -0.360 -0.918 -1.537) 1.826 4.605 ( -0.065 1.237 5.467) 5.606 4.881 ( 0.092 -4.193 -4.917) 6.463 5.888 ( 0.031 0.047 -0.096) 0.111 5.941 ( -0.023 -1.453 0.173) 1.464 5.986 ( 0.346 0.717 0.633) 1.017 6.123 ( -0.237 -3.052 -0.512) 3.103 ======================= Grid point 116 (54/98) ======================= q-point: ( 0.17 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 0.517 2.256 3.751) 4.408 0.942 ( -0.221 -0.986 -0.290) 1.052 1.017 ( -3.957 2.734 -0.051) 4.810 1.029 ( -2.692 -1.335 -1.174) 3.226 1.140 ( -1.772 -0.360 -1.016) 2.074 1.166 ( -2.584 2.155 -1.042) 3.522 1.206 ( -1.713 3.466 -0.185) 3.870 1.242 ( 0.447 2.127 1.044) 2.411 1.258 ( -2.285 3.685 -0.464) 4.361 1.285 ( 0.903 1.223 0.762) 1.701 1.334 ( -0.011 -0.011 0.470) 0.470 1.401 ( -2.449 2.278 -3.746) 5.022 1.465 ( 0.118 2.251 1.466) 2.689 1.594 ( 1.636 1.062 -3.992) 4.443 1.634 ( 3.480 4.186 -3.943) 6.722 1.779 ( -0.756 -0.288 0.561) 0.984 1.799 ( -2.366 2.094 1.777) 3.625 1.867 ( -0.727 -0.332 0.284) 0.848 2.031 ( 1.121 -3.244 -0.650) 3.493 2.153 ( 0.435 2.656 0.061) 2.692 2.491 ( -1.841 -7.245 1.078) 7.553 2.561 ( -0.256 -2.093 -0.432) 2.152 2.609 ( 0.265 -3.744 1.002) 3.884 2.672 ( -1.496 -5.463 1.064) 5.764 2.711 ( -0.088 -0.218 2.501) 2.512 2.896 ( -3.040 3.248 0.055) 4.449 2.968 ( -0.122 3.649 -0.407) 3.674 2.979 ( -1.326 3.130 -1.073) 3.565 3.113 ( -4.438 2.430 -0.090) 5.061 3.227 ( 1.321 0.899 3.123) 3.508 3.292 ( -0.378 3.664 -1.784) 4.093 3.354 ( -1.287 -6.195 -0.908) 6.392 3.547 ( 1.684 -4.862 0.532) 5.173 3.621 ( 4.350 -6.635 -0.110) 7.934 3.718 ( 0.103 -1.318 -0.038) 1.323 3.749 ( 3.002 -2.312 0.307) 3.802 3.885 ( -1.726 2.114 0.183) 2.735 3.910 ( -3.110 -1.566 -0.263) 3.491 3.960 ( 1.029 -2.742 0.080) 2.930 4.006 ( -1.809 0.294 -0.686) 1.957 4.176 ( 0.079 -8.144 0.743) 8.178 4.230 ( -2.335 -1.093 -0.984) 2.759 4.559 ( -8.535 0.957 5.831) 10.380 4.748 ( -9.866 -3.303 -5.415) 11.729 5.893 ( 0.541 -0.137 -0.086) 0.565 5.941 ( -0.050 -1.477 0.172) 1.488 5.999 ( 0.542 0.160 0.244) 0.615 6.121 ( 0.344 -2.965 -0.286) 2.998 ======================= Grid point 117 (55/98) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -0.464 1.796 -0.338) 1.885 0.926 ( -1.311 1.517 1.410) 2.451 0.949 ( -2.070 3.807 2.337) 4.923 0.980 ( -1.628 2.813 0.230) 3.258 1.090 ( -4.698 6.143 0.653) 7.761 1.102 ( -3.765 7.317 -1.276) 8.327 1.167 ( -0.000 3.143 -3.102) 4.416 1.189 ( -1.296 2.792 -2.485) 3.956 1.254 ( 0.244 3.456 0.658) 3.527 1.299 ( -0.053 3.092 0.392) 3.117 1.332 ( -0.435 1.509 0.138) 1.577 1.361 ( -0.684 2.050 -0.359) 2.191 1.477 ( -0.281 1.662 1.565) 2.300 1.623 ( 3.780 0.730 -2.882) 4.809 1.681 ( 3.955 5.191 -2.593) 7.022 1.744 ( -3.076 2.473 1.408) 4.190 1.778 ( -0.404 2.883 -0.476) 2.950 1.879 ( 0.806 3.843 1.315) 4.141 2.044 ( 1.125 -4.491 -1.186) 4.779 2.171 ( 1.170 0.486 0.505) 1.364 2.460 ( -0.588 -9.066 -1.587) 9.223 2.559 ( -0.164 -0.713 0.217) 0.763 2.617 ( 0.755 -5.248 1.004) 5.396 2.665 ( -0.928 -2.960 1.444) 3.422 2.747 ( 2.296 0.741 1.138) 2.667 2.862 ( -0.693 8.239 0.262) 8.272 2.887 ( -4.745 -0.500 -2.407) 5.344 2.982 ( -1.768 6.739 3.225) 7.677 3.070 ( -0.430 3.300 0.251) 3.337 3.231 ( -1.273 1.577 -0.770) 2.168 3.286 ( 0.406 5.583 0.953) 5.678 3.303 ( -3.072 -1.965 -0.470) 3.677 3.570 ( 0.350 0.629 -0.057) 0.722 3.675 ( 1.532 2.001 -0.223) 2.530 3.713 ( -0.254 1.348 -0.471) 1.450 3.804 ( 2.020 -1.615 -0.056) 2.587 3.846 ( -1.852 0.550 0.052) 1.932 3.862 ( -1.086 1.496 0.658) 1.962 3.944 ( -3.073 -0.056 -0.645) 3.141 4.025 ( 3.695 -1.288 -0.024) 3.913 4.141 ( -2.969 -4.071 -1.230) 5.186 4.212 ( -0.754 -3.670 1.741) 4.131 4.411 ( -8.884 1.496 4.293) 9.980 4.501 ( -10.833 -2.629 -4.525) 12.031 5.903 ( 0.518 -0.692 -0.062) 0.867 5.941 ( -0.095 -1.734 0.071) 1.738 6.007 ( 0.330 -0.141 -0.397) 0.535 6.131 ( 0.591 -2.970 0.208) 3.035 ======================= Grid point 118 (56/98) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -2.269 4.127 -0.143) 4.712 0.926 ( -0.452 5.804 -1.515) 6.015 0.958 ( 1.073 3.535 3.834) 5.324 0.985 ( 1.440 4.850 0.046) 5.060 1.004 ( -3.213 8.424 0.404) 9.025 1.066 ( 1.666 5.920 -0.366) 6.161 1.155 ( 0.849 4.319 -1.764) 4.742 1.205 ( 3.345 2.097 -2.899) 4.898 1.244 ( -1.055 4.609 -0.831) 4.800 1.290 ( -1.048 3.706 0.311) 3.864 1.353 ( 0.827 2.971 0.702) 3.163 1.356 ( 1.565 1.139 0.648) 2.041 1.473 ( -0.732 2.192 0.864) 2.467 1.661 ( 0.211 0.213 -0.385) 0.488 1.675 ( -3.332 5.307 -1.038) 6.352 1.733 ( 1.447 4.293 -1.511) 4.776 1.792 ( 2.333 4.327 -0.425) 4.934 1.890 ( -0.901 7.084 1.645) 7.328 2.054 ( 0.470 -4.454 -1.115) 4.616 2.188 ( 0.025 -0.248 0.491) 0.551 2.453 ( 0.715 -4.287 -2.710) 5.122 2.553 ( -0.320 -0.061 0.670) 0.745 2.628 ( -0.563 -4.369 -0.677) 4.457 2.665 ( -0.491 -5.679 3.238) 6.556 2.770 ( -3.745 -2.557 -1.018) 4.648 2.816 ( 2.830 4.571 -0.054) 5.376 2.881 ( 2.173 5.027 -0.357) 5.489 2.962 ( -1.992 7.779 3.534) 8.773 3.076 ( -0.365 3.078 1.430) 3.414 3.221 ( 1.771 3.369 -2.537) 4.574 3.245 ( -1.291 -5.614 -1.011) 5.849 3.311 ( 0.057 10.157 2.914) 10.567 3.556 ( -0.888 4.927 -1.566) 5.246 3.694 ( 0.451 2.727 0.148) 2.768 3.712 ( 0.316 6.074 -0.359) 6.093 3.815 ( -0.764 -0.075 -0.533) 0.935 3.837 ( -0.470 -2.531 -0.080) 2.575 3.869 ( 3.096 0.498 -0.199) 3.142 3.887 ( -1.949 -2.017 0.886) 2.941 4.076 ( -2.003 -0.282 -0.046) 2.023 4.091 ( 2.154 -0.778 -1.181) 2.577 4.202 ( -0.459 -2.563 3.373) 4.261 4.312 ( -3.759 -0.352 -1.016) 3.910 4.405 ( 4.071 -0.648 -0.831) 4.205 5.909 ( 0.027 -1.041 -0.011) 1.041 5.938 ( -0.148 -1.788 -0.118) 1.798 6.006 ( -0.135 -0.150 -0.492) 0.532 6.141 ( 0.223 -3.065 0.356) 3.094 ======================= Grid point 119 (57/98) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -1.487 4.431 2.225) 5.176 0.920 ( 1.041 1.897 -1.138) 2.445 0.986 ( 0.881 1.985 1.006) 2.394 1.032 ( 3.500 3.810 1.586) 5.411 1.040 ( 4.976 5.293 -0.523) 7.283 1.111 ( 2.648 4.134 -1.965) 5.288 1.182 ( 2.372 4.603 -0.659) 5.220 1.239 ( 1.931 5.390 -0.538) 5.751 1.245 ( 1.984 1.470 -1.248) 2.767 1.272 ( -0.911 3.392 0.519) 3.550 1.351 ( -0.080 1.203 -0.694) 1.392 1.403 ( 1.172 2.155 -0.194) 2.460 1.482 ( 1.561 2.515 1.019) 3.131 1.601 ( -2.571 3.996 -2.976) 5.606 1.634 ( -1.822 1.350 0.128) 2.271 1.747 ( 1.015 2.732 -1.586) 3.318 1.814 ( -0.334 1.773 0.399) 1.847 1.877 ( -0.877 3.901 1.237) 4.186 2.044 ( -0.655 -3.457 -0.793) 3.607 2.182 ( -0.641 0.252 0.216) 0.722 2.442 ( 0.617 -7.639 -1.882) 7.892 2.560 ( -0.379 2.585 1.091) 2.831 2.600 ( -1.443 -4.392 -0.696) 4.675 2.665 ( -1.428 -5.953 2.906) 6.776 2.719 ( -0.950 -2.971 0.980) 3.269 2.886 ( 3.498 5.031 -0.009) 6.127 2.910 ( 1.808 4.294 -3.016) 5.550 2.981 ( 1.252 4.578 4.186) 6.328 3.079 ( 0.892 4.777 0.503) 4.885 3.201 ( -1.625 0.095 -1.403) 2.149 3.293 ( 4.422 -1.567 -0.853) 4.769 3.323 ( 0.049 6.697 1.534) 6.870 3.546 ( 0.430 1.211 -0.058) 1.286 3.684 ( -2.204 1.556 -0.146) 2.702 3.700 ( 0.091 1.199 -0.557) 1.326 3.813 ( -0.828 -1.763 -0.408) 1.990 3.845 ( 2.182 1.324 0.043) 2.553 3.860 ( -0.334 1.683 1.092) 2.034 3.951 ( 4.031 -0.090 -0.775) 4.105 4.018 ( -3.539 -2.349 -0.010) 4.248 4.130 ( 1.970 -4.528 -0.746) 4.994 4.254 ( 0.082 -0.606 1.535) 1.652 4.312 ( 7.296 -1.405 1.157) 7.520 4.576 ( 13.451 -2.346 -1.669) 13.756 5.904 ( -0.501 -0.863 -0.014) 0.998 5.936 ( 0.013 -1.577 -0.061) 1.578 5.996 ( -0.608 0.226 -0.255) 0.697 6.142 ( -0.299 -3.092 0.148) 3.110 ======================= Grid point 120 (58/98) ======================= q-point: (-0.17 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( -0.663 4.510 4.066) 6.108 0.945 ( 2.044 -0.279 -1.284) 2.430 1.027 ( 2.092 -1.913 0.417) 2.865 1.085 ( -0.087 0.808 -1.216) 1.462 1.105 ( 4.010 0.532 -0.425) 4.068 1.150 ( 3.172 0.468 -0.910) 3.333 1.240 ( 3.082 3.640 -0.462) 4.791 1.248 ( -1.062 1.336 -0.093) 1.709 1.268 ( -0.007 1.867 0.748) 2.011 1.271 ( -0.025 3.383 1.496) 3.699 1.352 ( 1.608 3.738 -2.502) 4.777 1.394 ( -1.222 -1.829 0.491) 2.253 1.528 ( 1.266 4.260 0.134) 4.447 1.560 ( 1.835 3.608 -5.650) 6.950 1.615 ( 0.477 1.603 -2.455) 2.971 1.755 ( 0.595 -1.014 0.467) 1.265 1.810 ( 0.004 2.603 1.279) 2.900 1.883 ( 0.736 -0.670 0.109) 1.001 2.025 ( -0.894 -2.864 -0.371) 3.024 2.170 ( -0.785 2.488 -0.191) 2.616 2.472 ( 2.896 -10.438 0.185) 10.834 2.549 ( -0.965 3.301 0.872) 3.548 2.574 ( -1.320 -1.218 0.876) 1.998 2.679 ( 0.796 -8.029 2.747) 8.523 2.721 ( 0.047 -2.977 0.806) 3.085 2.921 ( 1.576 3.172 -2.005) 4.071 2.945 ( 2.854 4.940 -0.258) 5.711 3.033 ( 1.644 -0.310 1.686) 2.376 3.132 ( 4.470 2.023 0.053) 4.907 3.139 ( -3.840 2.729 0.086) 4.711 3.325 ( -0.689 1.562 0.185) 1.717 3.363 ( 2.709 -2.479 -1.039) 3.816 3.541 ( -1.476 -5.390 0.596) 5.620 3.620 ( -4.459 -6.326 -0.108) 7.740 3.700 ( -0.146 -2.386 0.063) 2.391 3.766 ( -3.020 -1.550 0.194) 3.400 3.880 ( 1.291 3.106 0.192) 3.369 3.911 ( 3.693 -1.821 -0.241) 4.125 3.959 ( -1.472 -4.008 0.064) 4.270 4.011 ( 2.565 0.980 -0.731) 2.842 4.152 ( 0.536 -7.793 0.476) 7.826 4.265 ( 1.244 -1.037 -0.889) 1.848 4.495 ( 7.867 0.716 3.980) 8.846 4.803 ( 10.727 -4.090 -3.363) 11.963 5.893 ( -0.495 -0.319 -0.071) 0.593 5.939 ( 0.156 -1.517 0.175) 1.535 5.984 ( -0.444 0.808 0.181) 0.940 6.134 ( -0.508 -3.085 -0.236) 3.135 ======================= Grid point 121 (59/98) ======================= q-point: ( 0.00 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -1.186 0.535 -0.640) 1.450 0.920 ( 0.773 -1.512 -0.868) 1.907 0.990 ( 1.102 -1.970 -0.782) 2.389 1.056 ( -0.802 -3.647 -0.084) 3.735 1.138 ( 2.605 -2.339 0.685) 3.568 1.155 ( -0.809 -0.937 0.528) 1.346 1.213 ( -1.547 0.291 -0.481) 1.646 1.242 ( -0.584 0.107 1.166) 1.308 1.292 ( 0.019 0.657 0.210) 0.690 1.298 ( -0.508 0.070 1.490) 1.576 1.338 ( -0.653 0.165 -1.224) 1.397 1.434 ( 0.087 -1.773 -0.786) 1.942 1.594 ( -0.665 3.283 -0.198) 3.356 1.638 ( 1.909 1.534 -1.289) 2.767 1.661 ( 2.287 3.320 -3.862) 5.583 1.719 ( -1.178 -0.908 -1.199) 1.910 1.820 ( -0.020 -5.019 -0.069) 5.020 1.898 ( 0.374 0.625 -0.418) 0.840 1.922 ( -0.218 -2.894 0.444) 2.936 2.149 ( -0.248 -3.827 -0.416) 3.858 2.294 ( -0.052 -5.595 0.176) 5.598 2.446 ( 0.559 -10.696 -0.798) 10.740 2.531 ( 0.362 -8.632 1.726) 8.810 2.559 ( -1.690 -7.351 1.022) 7.612 2.628 ( 1.062 0.017 2.935) 3.121 2.845 ( -0.155 -5.627 1.465) 5.817 3.013 ( -0.417 3.076 -0.912) 3.235 3.129 ( -1.413 2.261 -1.135) 2.897 3.180 ( 2.054 1.998 0.104) 2.867 3.248 ( 0.954 1.031 -0.370) 1.453 3.274 ( -3.179 0.673 1.115) 3.435 3.325 ( 1.273 -3.271 1.089) 3.675 3.457 ( 0.845 3.817 -0.662) 3.965 3.489 ( -1.330 4.012 -1.010) 4.346 3.646 ( 1.252 -2.342 0.856) 2.791 3.709 ( -0.757 -0.329 -0.575) 1.006 3.867 ( -0.192 0.925 0.101) 0.950 3.966 ( 0.218 5.104 0.253) 5.115 3.979 ( 0.164 0.899 -0.252) 0.948 4.037 ( -0.037 2.509 -0.808) 2.636 4.087 ( 0.150 -0.522 1.116) 1.241 4.242 ( -0.649 -1.648 -1.163) 2.119 4.493 ( 0.329 -11.044 3.991) 11.748 4.678 ( -0.019 -14.771 -3.038) 15.080 5.891 ( 0.131 0.223 -0.060) 0.266 5.914 ( 0.098 -1.094 -0.131) 1.106 6.006 ( 0.077 1.152 0.287) 1.189 6.069 ( -0.200 -2.208 -0.243) 2.231 ======================= Grid point 122 (60/98) ======================= q-point: ( 0.17 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 1.626 0.410 0.430) 1.731 0.926 ( 0.697 -1.328 -0.956) 1.778 1.003 ( 0.946 0.043 -0.174) 0.963 1.047 ( -0.533 -0.719 -0.781) 1.188 1.130 ( -1.938 0.451 0.118) 1.993 1.168 ( 1.004 -1.366 -1.263) 2.114 1.239 ( 2.139 -0.471 1.927) 2.917 1.255 ( 2.557 -0.117 1.093) 2.783 1.314 ( 1.754 2.317 0.533) 2.955 1.318 ( 1.646 0.187 1.120) 2.000 1.332 ( 0.568 1.098 -0.818) 1.482 1.423 ( -1.142 -0.465 -1.456) 1.907 1.545 ( -3.172 5.259 -1.080) 6.236 1.635 ( 0.616 2.953 -2.678) 4.034 1.700 ( 0.416 -2.933 -1.107) 3.162 1.716 ( 2.890 0.821 -0.493) 3.044 1.831 ( 1.694 -3.819 0.106) 4.179 1.890 ( -1.170 4.332 0.117) 4.488 1.919 ( 0.109 -6.238 -0.475) 6.257 2.142 ( -0.008 -3.399 -0.381) 3.420 2.315 ( 3.228 -1.305 0.065) 3.483 2.426 ( 0.457 -6.148 -0.275) 6.171 2.575 ( 2.081 -1.567 0.583) 2.669 2.604 ( 2.426 -5.025 2.066) 5.950 2.686 ( 2.925 -1.652 1.259) 3.588 2.857 ( -0.068 -4.659 1.065) 4.780 2.995 ( -0.378 0.921 -0.410) 1.077 3.094 ( -1.835 3.330 -0.654) 3.859 3.217 ( 1.521 3.391 -0.181) 3.721 3.257 ( -1.200 -0.424 2.275) 2.607 3.295 ( 3.400 1.091 -1.443) 3.851 3.371 ( 4.482 0.435 -0.001) 4.503 3.475 ( 1.733 0.518 -0.272) 1.829 3.506 ( 4.207 0.749 0.384) 4.290 3.681 ( 1.495 -2.202 -0.745) 2.764 3.716 ( 2.733 -1.587 0.419) 3.188 3.881 ( 0.398 0.900 -0.074) 0.987 3.955 ( -2.015 2.467 0.224) 3.193 3.985 ( 0.074 1.454 -0.099) 1.459 4.046 ( 2.304 6.133 -0.707) 6.590 4.089 ( -0.946 -1.059 0.674) 1.572 4.219 ( -0.678 0.375 -0.396) 0.870 4.476 ( -4.665 -7.968 4.181) 10.135 4.595 ( -6.072 -10.970 -3.677) 13.067 5.891 ( -0.001 -0.012 -0.125) 0.126 5.912 ( -0.181 -1.220 -0.137) 1.241 6.009 ( -0.004 0.735 0.158) 0.752 6.067 ( 0.111 -2.281 -0.077) 2.285 ======================= Grid point 123 (61/98) ======================= q-point: ( 0.33 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 1.041 1.279 0.284) 1.673 0.947 ( 1.443 0.072 -0.300) 1.475 1.014 ( -0.839 1.642 0.600) 1.939 1.035 ( 2.026 2.705 -0.071) 3.381 1.128 ( 0.898 0.780 0.175) 1.202 1.189 ( 2.334 1.251 -1.600) 3.094 1.250 ( -0.873 4.047 -0.540) 4.175 1.285 ( -2.287 4.500 0.516) 5.074 1.330 ( 0.453 2.933 0.415) 2.997 1.347 ( -0.151 0.951 -0.546) 1.107 1.372 ( 2.736 2.332 0.681) 3.660 1.393 ( 0.848 1.128 -0.639) 1.550 1.504 ( -0.852 2.038 1.380) 2.605 1.632 ( 0.470 1.131 -2.122) 2.451 1.714 ( 0.926 -1.693 -1.120) 2.231 1.759 ( 2.891 -3.595 -0.436) 4.634 1.856 ( -1.049 2.916 0.321) 3.115 1.893 ( 2.566 -0.548 0.439) 2.660 1.922 ( 0.667 -6.718 -0.679) 6.785 2.144 ( 0.258 -3.786 -0.232) 3.802 2.417 ( 6.898 5.840 -0.740) 9.069 2.481 ( 4.674 0.508 0.435) 4.722 2.599 ( 0.304 0.461 0.109) 0.563 2.632 ( -1.066 -1.197 1.759) 2.379 2.733 ( 1.923 -0.674 -0.418) 2.080 2.832 ( -2.608 -3.515 -0.631) 4.422 2.996 ( -0.040 2.070 0.794) 2.217 3.066 ( -0.754 3.186 0.949) 3.409 3.224 ( -1.889 0.590 0.386) 2.016 3.233 ( -0.356 9.234 0.069) 9.241 3.351 ( 3.157 5.367 -1.390) 6.380 3.467 ( 4.423 6.398 1.141) 7.861 3.538 ( 4.014 -2.027 0.610) 4.538 3.619 ( 6.218 -5.029 0.426) 8.009 3.698 ( 1.303 -1.778 -1.698) 2.782 3.799 ( 4.380 -1.802 0.661) 4.782 3.871 ( -0.864 2.292 -0.291) 2.467 3.907 ( -2.523 1.704 0.144) 3.048 3.952 ( -3.518 1.341 0.037) 3.765 4.065 ( -0.450 -3.279 -0.125) 3.312 4.101 ( 2.511 6.720 -0.468) 7.189 4.211 ( -1.402 1.889 1.125) 2.608 4.407 ( -4.155 -1.384 3.062) 5.344 4.439 ( -6.518 -3.321 -3.491) 8.106 5.889 ( -0.041 -0.543 -0.211) 0.584 5.907 ( -0.226 -1.456 -0.181) 1.485 6.008 ( -0.059 0.388 -0.099) 0.405 6.071 ( 0.249 -2.683 0.242) 2.706 ======================= Grid point 124 (62/98) ======================= q-point: (-0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -1.017 3.386 -0.093) 3.537 0.966 ( 0.539 0.822 0.743) 1.232 1.020 ( 0.190 1.264 -0.039) 1.279 1.067 ( 1.029 0.909 -0.641) 1.515 1.123 ( -2.451 5.431 1.031) 6.047 1.211 ( 0.109 4.503 -1.553) 4.765 1.231 ( 1.433 1.446 -1.195) 2.361 1.265 ( 1.401 7.023 0.275) 7.166 1.332 ( -0.594 3.201 -0.595) 3.309 1.359 ( 1.287 1.259 0.877) 2.003 1.397 ( -1.221 2.794 0.254) 3.060 1.411 ( 1.785 3.282 0.214) 3.742 1.508 ( -0.311 1.471 1.380) 2.041 1.621 ( -0.016 -2.092 -2.209) 3.043 1.707 ( -1.164 -1.649 0.478) 2.075 1.790 ( -0.009 -4.058 -1.305) 4.263 1.844 ( 0.037 2.735 -0.125) 2.738 1.926 ( -0.777 -2.563 0.351) 2.701 1.938 ( 1.987 -5.785 -0.098) 6.117 2.147 ( 0.211 -4.622 -0.070) 4.628 2.490 ( -0.269 6.224 -1.305) 6.365 2.571 ( 3.353 2.702 0.409) 4.326 2.589 ( -4.345 1.764 1.379) 4.888 2.601 ( 0.746 -0.818 0.807) 1.370 2.733 ( -2.055 -0.216 -1.883) 2.796 2.798 ( 0.852 -2.604 -0.403) 2.770 2.996 ( -0.286 3.471 1.014) 3.628 3.092 ( 1.895 1.052 2.754) 3.504 3.186 ( -1.598 5.181 -1.041) 5.521 3.231 ( -0.247 11.417 -0.256) 11.422 3.377 ( 0.476 8.972 -1.039) 9.044 3.529 ( 0.175 7.653 1.886) 7.884 3.584 ( -0.532 -0.768 0.528) 1.074 3.678 ( -0.771 -3.680 -0.113) 3.762 3.718 ( 1.563 -3.778 -1.401) 4.322 3.829 ( -0.682 -1.146 0.672) 1.493 3.869 ( 0.918 3.944 -0.527) 4.084 3.889 ( -1.601 2.927 0.019) 3.337 3.895 ( 1.160 1.334 -0.202) 1.780 4.056 ( -1.351 -2.173 0.035) 2.559 4.144 ( 2.271 2.999 -0.449) 3.788 4.175 ( -1.287 -0.592 1.147) 1.823 4.339 ( -2.726 2.979 -0.568) 4.078 4.406 ( 2.731 0.320 0.208) 2.758 5.888 ( 0.025 -0.807 -0.213) 0.835 5.903 ( 0.004 -1.528 -0.242) 1.547 6.006 ( -0.096 0.356 -0.159) 0.402 6.077 ( 0.116 -2.996 0.333) 3.017 ======================= Grid point 125 (63/98) ======================= q-point: (-0.33 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -1.133 3.632 0.850) 3.898 0.955 ( -0.950 1.366 -0.573) 1.760 1.011 ( -1.933 0.693 0.135) 2.058 1.072 ( 1.056 -0.883 -1.488) 2.027 1.106 ( 0.282 3.513 1.816) 3.965 1.203 ( -1.717 4.358 -1.596) 4.948 1.242 ( 0.141 -1.062 -0.312) 1.116 1.287 ( 1.573 3.663 -0.368) 4.004 1.325 ( -1.088 2.383 0.531) 2.673 1.352 ( -2.854 1.837 0.919) 3.517 1.370 ( -1.015 1.297 0.160) 1.655 1.430 ( 0.366 2.279 -0.774) 2.435 1.542 ( 3.062 2.777 1.116) 4.282 1.613 ( 0.733 -1.354 -1.777) 2.351 1.683 ( -0.912 1.823 -1.317) 2.427 1.752 ( -2.315 -3.368 -0.514) 4.119 1.849 ( 0.143 -0.065 0.201) 0.255 1.892 ( -2.333 1.255 0.376) 2.676 1.953 ( -0.376 -6.047 -0.619) 6.091 2.151 ( 0.266 -4.098 -0.248) 4.114 2.407 ( -6.067 5.036 -0.874) 7.933 2.491 ( -5.567 0.615 0.580) 5.631 2.590 ( -1.164 -0.007 -0.087) 1.168 2.626 ( -0.668 -0.429 2.242) 2.378 2.688 ( -1.185 0.057 -0.670) 1.362 2.822 ( 1.305 -4.554 -0.316) 4.748 3.008 ( 0.659 1.655 0.719) 1.921 3.141 ( -0.011 6.699 2.180) 7.045 3.159 ( 1.014 -1.685 -1.361) 2.391 3.224 ( 0.127 8.845 0.167) 8.847 3.362 ( -1.154 5.164 -1.163) 5.417 3.489 ( -4.700 4.813 0.820) 6.777 3.532 ( -4.946 -0.044 1.007) 5.048 3.619 ( -5.133 -5.058 0.433) 7.219 3.695 ( -2.153 -1.778 -1.882) 3.367 3.792 ( -3.737 -1.830 0.635) 4.209 3.883 ( 0.936 2.337 -0.205) 2.525 3.923 ( 3.174 3.606 0.656) 4.848 3.937 ( 2.861 -0.680 -0.522) 2.987 4.034 ( 0.006 -0.242 -0.047) 0.247 4.113 ( -2.547 3.979 -0.395) 4.741 4.266 ( 6.192 -2.352 2.751) 7.172 4.295 ( -1.462 3.479 -1.479) 4.053 4.508 ( 7.571 -4.462 -0.697) 8.816 5.887 ( 0.062 -0.596 -0.176) 0.624 5.904 ( 0.328 -1.380 -0.232) 1.437 6.004 ( -0.070 0.677 -0.028) 0.681 6.079 ( -0.121 -2.930 0.188) 2.938 ======================= Grid point 126 (64/98) ======================= q-point: (-0.17 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( -0.141 2.464 1.188) 2.739 0.934 ( -1.018 -0.638 -1.319) 1.784 0.983 ( -0.354 -1.566 -0.565) 1.702 1.069 ( -0.080 -2.117 -1.235) 2.453 1.121 ( -0.750 1.332 0.208) 1.543 1.164 ( 0.190 0.661 -0.398) 0.794 1.245 ( -0.606 -0.614 0.970) 1.298 1.261 ( -4.017 -2.046 0.639) 4.553 1.300 ( -0.876 1.096 0.676) 1.557 1.313 ( -1.814 0.998 1.454) 2.530 1.361 ( -0.800 0.029 -0.065) 0.803 1.439 ( 0.925 2.494 -1.832) 3.230 1.576 ( 0.970 0.799 -0.579) 1.384 1.622 ( 1.428 1.117 -2.343) 2.963 1.663 ( 0.378 3.322 -2.484) 4.166 1.736 ( -0.023 -0.269 0.362) 0.451 1.831 ( -1.404 -4.153 -0.038) 4.384 1.885 ( 1.012 4.241 0.046) 4.360 1.930 ( -1.012 -5.552 -0.510) 5.666 2.152 ( 0.149 -3.767 -0.405) 3.792 2.311 ( -2.793 -1.001 -0.270) 2.979 2.427 ( -0.814 -5.986 0.001) 6.041 2.554 ( -2.573 -3.988 1.002) 4.851 2.614 ( -1.642 0.939 2.436) 3.084 2.641 ( -4.431 -6.020 0.457) 7.489 2.839 ( 0.275 -5.942 0.916) 6.019 3.016 ( 0.105 1.628 -0.244) 1.650 3.147 ( 1.172 6.140 -0.749) 6.296 3.166 ( -1.254 -0.355 0.600) 1.434 3.246 ( 1.094 4.950 0.158) 5.072 3.318 ( -2.216 -4.076 0.070) 4.640 3.379 ( -7.599 -1.356 0.182) 7.721 3.456 ( -1.159 2.437 -0.404) 2.729 3.538 ( -3.517 2.704 0.546) 4.470 3.645 ( -1.439 -2.634 -0.663) 3.074 3.735 ( -2.213 -2.151 0.146) 3.089 3.889 ( -0.793 0.893 -0.101) 1.199 3.956 ( 0.498 4.293 0.470) 4.347 3.975 ( 1.058 -0.170 -0.353) 1.128 4.043 ( 0.048 4.392 -0.699) 4.447 4.080 ( -0.427 1.089 0.694) 1.360 4.257 ( -0.794 0.676 -0.782) 1.303 4.411 ( 5.742 -8.144 2.895) 10.377 4.635 ( 6.032 -11.654 -1.999) 13.274 5.888 ( 0.142 -0.088 -0.106) 0.198 5.910 ( 0.364 -1.191 -0.166) 1.257 6.004 ( 0.037 1.122 0.162) 1.134 6.075 ( -0.288 -2.541 -0.071) 2.558 ======================= Grid point 127 (65/98) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( -0.290 -1.670 -1.355) 2.170 0.883 ( -0.290 1.670 -1.355) 2.170 0.986 ( 0.712 -1.985 -0.459) 2.158 0.986 ( 0.712 1.985 -0.459) 2.158 1.125 ( -0.297 -1.121 0.341) 1.209 1.125 ( -0.297 1.121 0.341) 1.209 1.235 ( -0.753 -1.153 0.323) 1.415 1.235 ( -0.753 1.153 0.323) 1.415 1.297 ( 0.265 -0.267 1.048) 1.114 1.297 ( 0.265 0.267 1.048) 1.114 1.363 ( -0.198 -2.887 -0.931) 3.040 1.363 ( -0.198 2.887 -0.931) 3.040 1.640 ( 0.702 -1.195 -0.576) 1.501 1.640 ( 0.702 1.195 -0.576) 1.501 1.732 ( 0.798 -2.937 -0.412) 3.071 1.732 ( 0.798 2.937 -0.412) 3.071 1.775 ( -1.002 -5.970 -1.356) 6.204 1.775 ( -1.002 5.970 -1.356) 6.204 2.024 ( 0.159 -7.268 -0.360) 7.278 2.024 ( 0.159 7.268 -0.360) 7.278 2.300 ( 0.324 -4.566 -0.282) 4.586 2.300 ( 0.324 4.566 -0.282) 4.586 2.412 ( -0.157 -2.139 0.700) 2.256 2.412 ( -0.157 2.139 0.700) 2.256 2.716 ( 0.413 -6.386 2.202) 6.768 2.716 ( 0.413 6.386 2.202) 6.768 3.096 ( -0.832 -4.390 -0.942) 4.566 3.096 ( -0.832 4.390 -0.942) 4.566 3.221 ( 0.144 -2.611 0.843) 2.748 3.221 ( 0.144 2.611 0.843) 2.748 3.299 ( 0.163 -2.012 0.524) 2.086 3.299 ( 0.163 2.012 0.524) 2.086 3.554 ( -0.534 -4.162 -0.959) 4.304 3.554 ( -0.534 4.162 -0.959) 4.304 3.643 ( 0.464 -5.445 -0.005) 5.465 3.643 ( 0.464 5.445 -0.005) 5.465 3.928 ( -0.022 -4.063 -0.097) 4.064 3.928 ( -0.022 4.063 -0.097) 4.064 4.079 ( -0.164 -1.420 0.171) 1.439 4.079 ( -0.164 1.420 0.171) 1.439 4.222 ( -0.030 -10.161 1.494) 10.271 4.222 ( -0.030 10.161 1.494) 10.271 4.348 ( 0.123 -13.806 -1.280) 13.866 4.348 ( 0.123 13.806 -1.280) 13.866 5.898 ( 0.146 -0.518 -0.142) 0.557 5.898 ( 0.146 0.518 -0.142) 0.557 6.033 ( -0.092 -1.455 0.031) 1.458 6.033 ( -0.092 1.455 0.031) 1.458 ======================= Grid point 129 (66/98) ======================= q-point: ( 0.17 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 1.789 -1.724 -0.940) 2.656 0.887 ( 1.789 1.724 -0.940) 2.656 1.023 ( 2.664 -1.553 -0.737) 3.171 1.023 ( 2.664 1.553 -0.737) 3.171 1.138 ( 0.949 -0.612 0.405) 1.200 1.138 ( 0.949 0.612 0.405) 1.200 1.241 ( 2.023 -1.205 1.329) 2.704 1.241 ( 2.023 1.205 1.329) 2.704 1.327 ( 1.867 -0.652 0.044) 1.979 1.327 ( 1.867 0.652 0.044) 1.979 1.379 ( 1.859 -3.112 -0.598) 3.673 1.379 ( 1.859 3.112 -0.598) 3.673 1.625 ( -1.642 -2.652 -0.786) 3.217 1.625 ( -1.642 2.652 -0.786) 3.217 1.730 ( -0.806 -4.755 -0.820) 4.892 1.730 ( -0.806 4.755 -0.820) 4.892 1.779 ( 2.100 -3.593 -0.471) 4.188 1.779 ( 2.100 3.593 -0.471) 4.188 2.025 ( -0.015 -7.085 -0.371) 7.095 2.025 ( -0.015 7.085 -0.371) 7.095 2.394 ( 8.668 -4.201 -0.328) 9.638 2.394 ( 8.668 4.201 -0.328) 9.638 2.488 ( 6.354 -2.508 0.702) 6.867 2.488 ( 6.354 2.508 0.702) 6.867 2.743 ( 0.861 -5.672 1.298) 5.882 2.743 ( 0.861 5.672 1.298) 5.882 3.057 ( -1.920 -4.302 0.068) 4.712 3.057 ( -1.920 4.302 0.068) 4.712 3.246 ( 2.322 -1.213 0.583) 2.684 3.246 ( 2.322 1.213 0.583) 2.684 3.338 ( 3.229 -2.290 -0.242) 3.966 3.338 ( 3.229 2.290 -0.242) 3.966 3.543 ( 0.412 -2.662 -0.107) 2.695 3.543 ( 0.412 2.662 -0.107) 2.695 3.666 ( 2.191 -2.624 -0.250) 3.427 3.666 ( 2.191 2.624 -0.250) 3.427 3.926 ( -0.280 -3.095 -0.251) 3.117 3.926 ( -0.280 3.095 -0.251) 3.117 4.046 ( -2.777 -2.930 0.306) 4.049 4.046 ( -2.777 2.930 0.306) 4.049 4.236 ( -0.131 -6.482 1.168) 6.587 4.236 ( -0.131 6.482 1.168) 6.587 4.366 ( 2.112 -6.868 -1.039) 7.260 4.366 ( 2.112 6.868 -1.039) 7.260 5.895 ( -0.294 -0.449 -0.197) 0.571 5.895 ( -0.294 0.449 -0.197) 0.571 6.030 ( -0.201 -1.376 0.079) 1.393 6.030 ( -0.201 1.376 0.079) 1.393 ======================= Grid point 131 (67/98) ======================= q-point: ( 0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 2.674 -1.211 -0.285) 2.950 0.930 ( 2.674 1.211 -0.285) 2.950 1.045 ( 0.407 -1.183 -0.829) 1.501 1.045 ( 0.407 1.183 -0.829) 1.501 1.174 ( 2.525 -2.576 1.127) 3.779 1.174 ( 2.525 2.576 1.127) 3.779 1.307 ( 2.497 -1.590 -0.126) 2.963 1.307 ( 2.497 1.590 -0.126) 2.963 1.356 ( 1.286 -1.062 -0.127) 1.672 1.356 ( 1.286 1.062 -0.127) 1.672 1.403 ( 1.039 -0.655 0.507) 1.329 1.403 ( 1.039 0.655 0.507) 1.329 1.595 ( -0.293 -6.441 -1.243) 6.566 1.595 ( -0.293 6.441 -1.243) 6.566 1.697 ( -2.072 -4.313 -0.225) 4.790 1.697 ( -2.072 4.313 -0.225) 4.790 1.820 ( 2.043 -0.900 -0.265) 2.248 1.820 ( 2.043 0.900 -0.265) 2.248 2.019 ( -0.324 -7.357 -0.121) 7.365 2.019 ( -0.324 7.357 -0.121) 7.365 2.543 ( 5.845 -1.920 -0.503) 6.173 2.543 ( 5.845 1.920 -0.503) 6.173 2.586 ( 2.797 -1.748 0.773) 3.387 2.586 ( 2.797 1.748 0.773) 3.387 2.758 ( 0.382 -3.225 -0.439) 3.277 2.758 ( 0.382 3.225 -0.439) 3.277 3.045 ( -0.368 -3.039 1.358) 3.349 3.045 ( -0.368 3.039 1.358) 3.349 3.320 ( 5.231 -6.437 -0.173) 8.296 3.320 ( 5.231 6.437 -0.173) 8.296 3.420 ( 5.820 -8.726 -0.365) 10.495 3.420 ( 5.820 8.726 -0.365) 10.495 3.570 ( 1.673 -4.271 0.220) 4.592 3.570 ( 1.673 4.271 0.220) 4.592 3.721 ( 3.211 -4.838 0.323) 5.815 3.721 ( 3.211 4.838 0.323) 5.815 3.912 ( -0.652 -1.115 -0.538) 1.399 3.912 ( -0.652 1.115 -0.538) 1.399 4.000 ( -2.235 -3.027 0.363) 3.780 4.000 ( -2.235 3.027 0.363) 3.780 4.215 ( -2.676 -3.012 0.453) 4.054 4.215 ( -2.676 3.012 0.453) 4.054 4.390 ( 0.803 -0.773 -0.407) 1.186 4.390 ( 0.803 0.773 -0.407) 1.186 5.887 ( -0.308 -0.405 -0.265) 0.574 5.887 ( -0.308 0.405 -0.265) 0.574 6.027 ( -0.126 -1.551 0.131) 1.562 6.027 ( -0.126 1.551 0.131) 1.562 ======================= Grid point 133 (68/98) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 0.327 -1.818 -0.039) 1.848 0.959 ( 0.327 1.818 -0.039) 1.848 1.046 ( 0.308 -1.761 -0.489) 1.854 1.046 ( 0.308 1.761 -0.489) 1.854 1.215 ( -0.790 -2.507 0.907) 2.780 1.215 ( -0.790 2.507 0.907) 2.780 1.301 ( 0.545 -4.163 -0.876) 4.289 1.301 ( 0.545 4.163 -0.876) 4.289 1.368 ( -0.906 -1.270 -0.147) 1.567 1.368 ( -0.906 1.270 -0.147) 1.567 1.442 ( 1.286 -1.326 1.400) 2.318 1.442 ( 1.286 1.326 1.400) 2.318 1.582 ( -0.396 -4.869 -1.711) 5.176 1.582 ( -0.396 4.869 -1.711) 5.176 1.677 ( 0.434 -2.242 0.209) 2.293 1.677 ( 0.434 2.242 0.209) 2.293 1.842 ( 0.582 -1.316 -0.461) 1.511 1.842 ( 0.582 1.316 -0.461) 1.511 2.015 ( -0.173 -7.204 0.163) 7.208 2.015 ( -0.173 7.204 0.163) 7.208 2.583 ( -0.381 -2.005 -0.677) 2.150 2.583 ( -0.381 2.005 -0.677) 2.150 2.617 ( 0.072 -1.275 0.953) 1.593 2.617 ( 0.072 1.275 0.953) 1.593 2.752 ( -0.512 -1.734 -1.026) 2.079 2.752 ( -0.512 1.734 -1.026) 2.079 3.049 ( -0.074 -2.558 1.427) 2.930 3.049 ( -0.074 2.558 1.427) 2.930 3.388 ( 0.115 -9.499 0.040) 9.500 3.388 ( 0.115 9.499 0.040) 9.500 3.490 ( 0.087 -11.595 -0.548) 11.608 3.490 ( 0.087 11.595 -0.548) 11.608 3.587 ( 0.132 -4.261 0.038) 4.263 3.587 ( 0.132 4.261 0.038) 4.263 3.757 ( -0.384 -5.502 1.011) 5.608 3.757 ( -0.384 5.502 1.011) 5.608 3.911 ( 0.835 -0.533 -0.832) 1.294 3.911 ( 0.835 0.533 -0.832) 1.294 3.974 ( -0.523 -5.002 0.295) 5.038 3.974 ( -0.522 5.002 0.295) 5.038 4.175 ( -0.533 -0.375 0.115) 0.661 4.175 ( -0.533 0.375 0.115) 0.661 4.397 ( 0.391 -1.780 -0.084) 1.825 4.397 ( 0.391 1.780 -0.084) 1.825 5.882 ( 0.045 -0.370 -0.280) 0.466 5.882 ( 0.045 0.370 -0.280) 0.466 6.027 ( -0.009 -1.787 0.136) 1.792 6.027 ( -0.009 1.787 0.136) 1.792 ======================= Grid point 135 (69/98) ======================= q-point: (-0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -1.624 -2.301 -0.175) 2.822 0.946 ( -1.624 2.301 -0.175) 2.822 1.038 ( -0.807 -2.005 -0.981) 2.373 1.038 ( -0.807 2.005 -0.981) 2.373 1.182 ( -1.669 -3.824 1.291) 4.368 1.182 ( -1.669 3.824 1.291) 4.368 1.291 ( -4.343 -4.028 -0.107) 5.924 1.291 ( -4.343 4.028 -0.107) 5.924 1.337 ( -0.437 -1.212 -0.147) 1.296 1.337 ( -0.437 1.212 -0.147) 1.296 1.449 ( -1.123 -2.725 0.414) 2.976 1.449 ( -1.123 2.725 0.414) 2.976 1.578 ( 1.369 -1.712 -1.049) 2.430 1.578 ( 1.369 1.712 -1.049) 2.430 1.700 ( 1.529 -0.842 -0.491) 1.814 1.700 ( 1.529 0.842 -0.491) 1.814 1.839 ( -0.663 -2.871 -0.183) 2.953 1.839 ( -0.663 2.871 -0.183) 2.953 2.016 ( 0.376 -7.782 -0.177) 7.793 2.016 ( 0.376 7.782 -0.177) 7.793 2.530 ( -5.354 -5.137 -0.343) 7.428 2.530 ( -5.354 5.137 -0.343) 7.428 2.591 ( -3.853 -4.929 0.578) 6.283 2.591 ( -3.853 4.929 0.578) 6.283 2.728 ( -1.404 -4.088 -0.244) 4.329 2.728 ( -1.404 4.088 -0.244) 4.329 3.065 ( 0.776 -4.127 1.242) 4.379 3.065 ( 0.776 4.127 1.242) 4.379 3.312 ( -6.328 -7.208 -0.180) 9.594 3.312 ( -6.328 7.208 -0.180) 9.594 3.423 ( -5.154 -8.770 -0.379) 10.179 3.423 ( -5.154 8.770 -0.379) 10.179 3.575 ( -1.380 -4.664 0.212) 4.868 3.575 ( -1.380 4.664 0.212) 4.868 3.721 ( -3.490 -4.792 0.322) 5.937 3.721 ( -3.490 4.792 0.322) 5.937 3.920 ( 0.848 -1.101 -0.613) 1.519 3.920 ( 0.848 1.101 -0.613) 1.519 3.995 ( 2.262 -3.123 0.468) 3.884 3.995 ( 2.262 3.123 0.468) 3.884 4.200 ( 1.951 -3.690 0.369) 4.191 4.200 ( 1.951 3.690 0.369) 4.191 4.401 ( -0.237 -5.744 -0.343) 5.760 4.401 ( -0.237 5.744 -0.343) 5.760 5.885 ( 0.402 -0.437 -0.260) 0.648 5.885 ( 0.402 0.437 -0.260) 0.648 6.029 ( 0.113 -1.877 0.125) 1.885 6.029 ( 0.113 1.877 0.125) 1.885 ======================= Grid point 137 (70/98) ======================= q-point: (-0.17 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -1.549 -1.371 -0.961) 2.281 0.907 ( -1.549 1.371 -0.961) 2.281 1.008 ( -1.818 -3.184 -0.583) 3.712 1.008 ( -1.818 3.184 -0.583) 3.712 1.154 ( -2.563 -1.600 0.155) 3.025 1.154 ( -2.563 1.600 0.155) 3.025 1.233 ( -0.715 -0.159 1.120) 1.338 1.233 ( -0.715 0.159 1.120) 1.338 1.314 ( -1.826 -0.539 0.388) 1.943 1.314 ( -1.826 0.539 0.388) 1.943 1.405 ( -3.073 -3.657 -0.553) 4.809 1.405 ( -3.073 3.657 -0.553) 4.809 1.613 ( 2.482 -2.017 -0.982) 3.345 1.613 ( 2.482 2.017 -0.982) 3.345 1.719 ( 0.915 -2.340 -0.455) 2.553 1.719 ( 0.915 2.340 -0.455) 2.553 1.812 ( -1.805 -3.957 -0.720) 4.409 1.812 ( -1.805 3.957 -0.720) 4.409 2.024 ( 0.427 -7.892 -0.392) 7.913 2.024 ( 0.427 7.892 -0.392) 7.913 2.387 ( -8.193 -5.958 -0.326) 10.135 2.387 ( -8.193 5.958 -0.326) 10.135 2.484 ( -6.806 -5.774 0.682) 8.951 2.484 ( -6.806 5.774 0.682) 8.951 2.708 ( -0.856 -6.261 1.312) 6.454 2.708 ( -0.856 6.261 1.312) 6.454 3.090 ( 1.259 -4.959 0.080) 5.117 3.090 ( 1.259 4.959 0.080) 5.117 3.228 ( -2.152 -2.896 0.589) 3.656 3.228 ( -2.152 2.896 0.589) 3.656 3.337 ( -3.649 -3.110 -0.226) 4.800 3.337 ( -3.649 3.110 -0.226) 4.800 3.560 ( -0.052 -5.164 -0.074) 5.165 3.560 ( -0.052 5.164 -0.074) 5.165 3.660 ( -2.390 -5.455 -0.269) 5.962 3.660 ( -2.390 5.455 -0.269) 5.962 3.929 ( 0.213 -2.966 -0.263) 2.986 3.929 ( 0.213 2.966 -0.263) 2.986 4.047 ( 2.713 -2.917 0.332) 3.997 4.047 ( 2.713 2.917 0.332) 3.997 4.222 ( -0.209 -8.556 0.982) 8.614 4.222 ( -0.209 8.556 0.982) 8.614 4.376 ( -1.758 -11.743 -0.865) 11.906 4.376 ( -1.758 11.743 -0.865) 11.906 5.892 ( 0.486 -0.527 -0.192) 0.742 5.892 ( 0.486 0.527 -0.192) 0.742 6.032 ( 0.109 -1.717 0.074) 1.722 6.032 ( 0.109 1.717 0.074) 1.722 ======================= Grid point 169 (71/98) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.317 ( -0.000 0.000 0.000) 0.000 0.339 ( 0.000 0.000 -0.001) 0.001 0.342 ( -0.000 0.000 0.001) 0.001 0.343 ( 0.000 0.000 -0.000) 0.000 0.873 ( -0.000 0.000 0.000) 0.000 0.895 ( 0.000 0.000 0.000) 0.000 0.898 ( -0.000 0.000 -0.000) 0.000 0.919 ( 0.000 0.000 0.000) 0.000 1.047 ( 0.000 0.000 -0.000) 0.000 1.075 ( -0.000 0.000 0.000) 0.000 1.209 ( -0.000 0.000 0.000) 0.000 1.241 ( 0.000 0.000 0.000) 0.000 1.306 ( 0.000 0.000 -0.000) 0.000 1.326 ( -0.000 0.000 0.000) 0.000 1.374 ( -0.000 0.000 0.000) 0.000 1.417 ( 0.000 0.000 0.000) 0.000 1.480 ( 0.000 0.000 0.000) 0.000 1.513 ( 0.000 0.000 0.000) 0.000 1.593 ( 0.000 0.000 0.000) 0.000 1.774 ( 0.000 0.000 0.000) 0.000 1.883 ( 0.000 0.000 0.000) 0.000 1.930 ( -0.000 0.000 0.000) 0.000 2.009 ( 0.000 0.000 0.000) 0.000 2.105 ( 0.000 0.000 0.000) 0.000 2.643 ( 0.000 0.000 0.000) 0.000 2.842 ( 0.000 0.000 0.000) 0.000 2.941 ( 0.000 0.000 0.000) 0.000 3.001 ( 0.000 0.000 0.000) 0.000 3.038 ( -0.000 0.000 0.000) 0.000 3.126 ( -0.000 0.000 0.000) 0.000 3.188 ( -0.000 0.000 0.000) 0.000 3.449 ( 0.000 0.000 0.000) 0.000 3.688 ( -0.000 0.000 0.000) 0.000 3.748 ( 0.000 0.000 0.000) 0.000 3.829 ( 0.000 0.000 0.000) 0.000 3.833 ( 0.000 0.000 0.000) 0.000 3.854 ( -0.000 0.000 0.000) 0.000 3.913 ( 0.000 0.000 0.000) 0.000 4.022 ( -0.000 0.000 0.000) 0.000 4.073 ( 0.000 0.000 0.000) 0.000 4.246 ( 0.000 0.000 0.000) 0.000 4.512 ( 0.000 0.000 0.000) 0.000 4.821 ( -0.000 0.000 0.000) 0.000 4.918 ( 0.000 0.000 0.000) 0.000 5.929 ( 0.000 0.000 -0.000) 0.000 5.952 ( 0.000 0.000 0.000) 0.000 6.173 ( 0.000 0.000 0.000) 0.000 6.395 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 171 (72/98) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( 15.724 0.000 -1.640) 15.810 0.508 ( 13.737 0.000 -5.773) 14.901 0.516 ( 13.803 0.000 0.622) 13.817 0.589 ( 13.823 0.000 6.834) 15.420 0.821 ( 5.369 0.000 -12.405) 13.517 0.918 ( 4.497 0.000 0.009) 4.497 0.946 ( 4.847 0.000 0.112) 4.848 0.965 ( 0.143 0.000 1.944) 1.949 1.069 ( -0.505 0.000 -2.087) 2.147 1.107 ( 4.005 0.000 -0.395) 4.025 1.221 ( -0.737 0.000 2.080) 2.206 1.277 ( -3.143 0.000 0.691) 3.218 1.303 ( 7.705 0.000 1.368) 7.826 1.313 ( -2.878 0.000 -0.258) 2.890 1.320 ( -2.855 0.000 2.761) 3.972 1.384 ( -2.617 0.000 -0.117) 2.620 1.491 ( -1.989 0.000 -0.181) 1.997 1.548 ( 1.934 0.000 3.590) 4.077 1.616 ( 3.608 0.000 -1.931) 4.092 1.724 ( -2.349 0.000 0.300) 2.368 1.987 ( 4.920 0.000 0.610) 4.958 2.015 ( 5.877 0.000 0.885) 5.943 2.183 ( 18.052 0.000 -2.006) 18.163 2.320 ( 19.729 0.000 2.353) 19.869 2.600 ( -4.546 0.000 1.244) 4.713 2.805 ( -3.015 0.000 -1.226) 3.255 2.861 ( -6.535 0.000 -0.389) 6.546 3.033 ( -1.710 0.000 0.664) 1.834 3.052 ( 4.847 0.000 0.107) 4.848 3.075 ( -3.317 0.000 1.694) 3.724 3.215 ( 2.574 0.000 -0.256) 2.587 3.418 ( -3.881 0.000 -0.883) 3.980 3.684 ( 0.224 0.000 -0.149) 0.269 3.757 ( 0.148 0.000 -0.111) 0.185 3.847 ( 1.506 0.000 0.365) 1.549 3.851 ( 2.668 0.000 3.513) 4.411 3.884 ( 3.933 0.000 -2.371) 4.593 3.933 ( 1.308 0.000 -0.194) 1.322 4.016 ( 1.168 0.000 0.133) 1.176 4.088 ( -1.742 0.000 0.129) 1.746 4.459 ( 18.341 0.000 4.800) 18.959 4.658 ( 12.928 0.000 -2.106) 13.098 4.874 ( 4.823 0.000 0.575) 4.857 4.974 ( 5.783 0.000 -1.390) 5.947 5.925 ( -0.289 0.000 -0.183) 0.342 5.943 ( -0.841 0.000 0.104) 0.847 6.149 ( -2.194 0.000 -0.598) 2.274 6.353 ( -3.573 0.000 -0.726) 3.646 ======================= Grid point 172 (73/98) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 4.388 0.000 -9.969) 10.892 0.767 ( 13.646 0.000 0.032) 13.646 0.778 ( 0.186 0.000 4.845) 4.849 0.791 ( 14.704 0.000 -0.342) 14.708 0.939 ( -2.161 0.000 2.785) 3.525 0.985 ( 10.596 0.000 -2.691) 10.932 1.014 ( 4.998 0.000 -0.099) 4.999 1.043 ( 4.367 0.000 0.209) 4.372 1.112 ( 5.453 0.000 -4.965) 7.375 1.141 ( 5.649 0.000 -3.912) 6.871 1.184 ( -7.090 0.000 -0.083) 7.091 1.213 ( -7.243 0.000 0.246) 7.247 1.248 ( 2.325 0.000 2.680) 3.548 1.335 ( 0.536 0.000 3.861) 3.898 1.338 ( -2.357 0.000 0.081) 2.358 1.451 ( -1.910 0.000 -0.159) 1.916 1.476 ( 8.101 0.000 0.397) 8.111 1.586 ( 2.487 0.000 1.700) 3.012 1.606 ( -5.587 0.000 1.205) 5.716 1.775 ( 5.895 0.000 1.157) 6.008 2.013 ( -5.614 0.000 0.820) 5.673 2.051 ( 1.171 0.000 0.442) 1.252 2.515 ( -4.651 0.000 1.207) 4.805 2.552 ( 19.067 0.000 -0.661) 19.078 2.712 ( -4.829 0.000 -1.250) 4.988 2.732 ( 19.835 0.000 1.057) 19.863 2.790 ( -1.120 0.000 -0.513) 1.232 2.986 ( -2.225 0.000 -0.258) 2.240 3.046 ( -1.422 0.000 0.233) 1.441 3.151 ( 4.716 0.000 0.095) 4.717 3.256 ( 1.372 0.000 -0.413) 1.432 3.342 ( -2.784 0.000 -0.274) 2.797 3.696 ( 0.840 0.000 0.007) 0.840 3.754 ( -0.010 0.000 -0.292) 0.292 3.869 ( 0.064 0.000 0.245) 0.254 3.917 ( 2.627 0.000 -0.404) 2.658 3.934 ( -1.114 0.000 0.003) 1.114 3.964 ( 4.055 0.000 0.730) 4.121 4.058 ( 0.307 0.000 -0.267) 0.407 4.062 ( 1.137 0.000 1.751) 2.088 4.751 ( 10.323 0.000 -1.073) 10.378 4.860 ( 4.760 0.000 2.869) 5.558 4.998 ( 6.252 0.000 6.079) 8.720 5.081 ( 6.697 0.000 -3.794) 7.697 5.921 ( 0.015 0.000 -0.249) 0.249 5.928 ( -0.794 0.000 0.563) 0.973 6.093 ( -2.428 0.000 -1.982) 3.134 6.287 ( -2.531 0.000 -0.455) 2.572 ======================= Grid point 173 (74/98) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 0.000 0.000 -0.000) 0.000 0.750 ( -0.000 0.000 0.000) 0.000 0.950 ( -0.000 0.000 0.000) 0.000 0.985 ( 0.000 0.000 0.000) 0.000 0.994 ( -0.000 0.000 0.000) 0.000 1.014 ( -0.000 0.000 0.000) 0.000 1.056 ( -0.000 0.000 0.000) 0.000 1.057 ( -0.000 0.000 0.000) 0.000 1.074 ( -0.000 0.000 -0.000) 0.000 1.109 ( -0.000 0.000 0.000) 0.000 1.120 ( -0.000 0.000 0.000) 0.000 1.254 ( -0.000 0.000 0.000) 0.000 1.298 ( 0.000 0.000 0.000) 0.000 1.311 ( -0.000 0.000 0.000) 0.000 1.418 ( 0.000 0.000 -0.000) 0.000 1.430 ( -0.000 0.000 0.000) 0.000 1.464 ( -0.000 0.000 0.000) 0.000 1.566 ( -0.000 0.000 0.000) 0.000 1.638 ( -0.000 0.000 0.000) 0.000 1.880 ( -0.000 0.000 0.000) 0.000 1.902 ( 0.000 0.000 0.000) 0.000 2.057 ( -0.000 0.000 0.000) 0.000 2.471 ( -0.000 0.000 0.000) 0.000 2.656 ( -0.000 0.000 0.000) 0.000 2.753 ( -0.000 0.000 -0.000) 0.000 2.781 ( -0.000 0.000 0.000) 0.000 2.948 ( -0.000 0.000 0.000) 0.000 2.964 ( -0.000 0.000 0.000) 0.000 3.029 ( 0.000 0.000 0.000) 0.000 3.198 ( 0.000 0.000 0.000) 0.000 3.257 ( 0.000 0.000 0.000) 0.000 3.317 ( -0.000 0.000 0.000) 0.000 3.705 ( -0.000 0.000 0.000) 0.000 3.754 ( -0.000 0.000 0.000) 0.000 3.864 ( -0.000 0.000 0.000) 0.000 3.915 ( -0.000 0.000 0.000) 0.000 3.940 ( -0.000 0.000 0.000) 0.000 4.010 ( -0.000 0.000 0.000) 0.000 4.048 ( -0.000 0.000 0.000) 0.000 4.095 ( -0.000 0.000 -0.000) 0.000 4.870 ( -0.000 0.000 0.000) 0.000 4.870 ( 0.000 0.000 -0.000) 0.000 5.088 ( -0.000 0.000 0.000) 0.000 5.141 ( -0.000 0.000 -0.000) 0.000 5.918 ( -0.000 0.000 0.000) 0.000 5.927 ( -0.000 0.000 0.000) 0.000 6.058 ( -0.000 0.000 0.000) 0.000 6.262 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 177 (75/98) ======================= q-point: ( 0.00 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( -0.000 17.060 -0.000) 17.060 0.588 ( 0.000 17.253 0.000) 17.253 0.620 ( -0.000 17.935 0.000) 17.935 0.658 ( -0.000 19.077 -0.000) 19.077 0.861 ( -0.000 3.061 -0.000) 3.061 0.914 ( 0.000 4.340 0.000) 4.340 0.990 ( -0.000 5.768 0.000) 5.768 1.003 ( 0.000 3.078 0.000) 3.078 1.093 ( 0.000 4.675 0.000) 4.675 1.153 ( -0.000 5.577 0.000) 5.577 1.198 ( 0.000 0.156 0.000) 0.156 1.226 ( 0.000 -1.169 0.000) 1.169 1.343 ( -0.000 2.027 0.000) 2.027 1.374 ( 0.000 2.785 0.000) 2.785 1.385 ( -0.000 4.272 0.000) 4.272 1.445 ( 0.000 1.197 0.000) 1.197 1.581 ( -0.000 9.755 0.000) 9.755 1.640 ( 0.000 11.031 0.000) 11.031 1.715 ( -0.000 13.847 0.000) 13.847 1.748 ( 0.000 0.678 0.000) 0.678 1.787 ( 0.000 -0.289 0.000) 0.289 1.915 ( -0.000 4.900 0.000) 4.900 2.557 ( 0.000 12.509 0.000) 12.509 2.579 ( -0.000 12.037 0.000) 12.037 2.736 ( 0.000 7.843 0.000) 7.843 2.867 ( -0.000 14.614 0.000) 14.614 2.954 ( -0.000 -2.956 0.000) 2.956 2.995 ( 0.000 6.893 -0.000) 6.893 3.083 ( 0.000 13.595 0.000) 13.595 3.132 ( 0.000 -0.157 0.000) 0.157 3.390 ( -0.000 20.513 0.000) 20.513 3.514 ( 0.000 3.430 0.000) 3.430 3.747 ( 0.000 -0.030 -0.000) 0.030 3.781 ( -0.000 4.342 0.000) 4.342 3.782 ( 0.000 -5.373 -0.000) 5.373 3.815 ( 0.000 3.460 0.000) 3.460 3.847 ( -0.000 0.303 0.000) 0.303 3.885 ( 0.000 -1.807 0.000) 1.807 3.967 ( 0.000 -4.971 0.000) 4.971 4.028 ( 0.000 -4.429 0.000) 4.429 4.211 ( 0.000 -2.978 0.000) 2.978 4.479 ( 0.000 -2.972 0.000) 2.972 4.758 ( 0.000 -6.131 -0.000) 6.131 4.864 ( -0.000 -5.352 0.000) 5.352 5.918 ( 0.000 -0.966 0.000) 0.966 5.950 ( -0.000 -0.074 0.000) 0.074 6.134 ( 0.000 -3.114 0.000) 3.114 6.344 ( 0.000 -4.135 0.000) 4.135 ======================= Grid point 179 (76/98) ======================= q-point: ( 0.17 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( 2.945 9.916 -4.691) 11.358 0.591 ( 2.800 9.279 4.380) 10.635 0.709 ( 4.381 6.208 -7.695) 10.814 0.767 ( 5.149 9.297 2.356) 10.885 0.923 ( 9.964 11.873 -2.422) 15.688 0.979 ( 0.751 2.665 1.435) 3.118 1.005 ( 3.668 6.872 1.896) 8.017 1.028 ( 2.812 4.088 -1.990) 5.346 1.125 ( 1.739 1.345 -2.049) 3.005 1.144 ( 0.974 5.946 -1.536) 6.218 1.200 ( -1.757 -1.080 1.394) 2.489 1.244 ( 1.276 -0.954 2.135) 2.664 1.291 ( -5.064 0.010 1.283) 5.224 1.321 ( -1.977 4.171 1.801) 4.954 1.390 ( -1.798 4.512 0.548) 4.888 1.465 ( 0.545 1.590 0.304) 1.708 1.561 ( -1.088 7.077 -0.308) 7.167 1.637 ( 0.478 10.117 2.067) 10.337 1.723 ( 2.773 10.648 -0.680) 11.025 1.787 ( 1.357 5.917 -0.270) 6.076 1.828 ( 5.896 -0.436 -3.222) 6.733 1.937 ( 3.142 1.253 1.778) 3.822 2.526 ( -1.389 4.845 2.133) 5.473 2.675 ( 4.337 3.759 -0.135) 5.741 2.745 ( 1.633 8.486 0.412) 8.652 2.842 ( -0.203 17.376 -3.569) 17.740 2.938 ( -1.869 -0.645 1.163) 2.293 2.983 ( -1.804 3.176 0.516) 3.689 3.069 ( -1.602 16.463 2.583) 16.741 3.160 ( 1.470 -0.512 0.218) 1.572 3.322 ( -4.122 15.197 0.779) 15.765 3.506 ( -2.700 5.305 -0.093) 5.954 3.654 ( -3.818 -2.896 0.069) 4.793 3.736 ( -2.703 -4.635 0.719) 5.413 3.760 ( -2.577 -3.816 -0.625) 4.647 3.855 ( 3.626 -0.610 1.785) 4.087 3.874 ( -1.082 -4.737 -0.397) 4.875 3.900 ( 3.971 1.018 -2.107) 4.609 3.994 ( 2.419 -1.720 0.978) 3.126 4.069 ( -0.087 -1.633 -0.034) 1.636 4.421 ( 17.126 -2.854 5.334) 18.163 4.607 ( 11.332 -4.690 -2.108) 12.444 4.787 ( 3.134 -8.201 0.065) 8.779 4.896 ( 3.544 -7.326 -0.822) 8.180 5.917 ( -0.010 -0.644 -0.073) 0.649 5.946 ( -0.461 0.269 0.075) 0.539 6.115 ( -1.558 -2.816 -1.109) 3.404 6.316 ( -2.349 -3.033 -0.553) 3.876 ======================= Grid point 180 (77/98) ======================= q-point: ( 0.33 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 6.524 0.981 -6.043) 8.947 0.721 ( 8.631 -0.890 -0.378) 8.685 0.754 ( 2.924 0.890 -1.628) 3.463 0.813 ( 1.214 -0.250 -0.590) 1.373 0.975 ( -0.447 1.715 2.320) 2.920 1.025 ( -1.465 0.073 -0.110) 1.471 1.067 ( 0.198 2.062 -0.955) 2.281 1.077 ( 3.237 3.704 -1.513) 5.146 1.097 ( -3.584 -2.395 0.891) 4.402 1.155 ( -5.252 -0.809 0.926) 5.394 1.199 ( 2.281 1.358 0.350) 2.678 1.247 ( 6.114 5.038 -1.610) 8.084 1.289 ( 1.645 2.573 0.324) 3.071 1.333 ( 1.152 7.579 1.136) 7.749 1.349 ( -1.025 2.361 2.886) 3.867 1.462 ( -0.629 2.613 0.844) 2.817 1.600 ( 3.909 2.541 -0.313) 4.673 1.694 ( 5.261 13.004 -0.630) 14.042 1.756 ( -2.254 9.420 -0.090) 9.687 1.825 ( 5.379 9.336 1.757) 10.917 1.925 ( 4.214 -1.806 -2.427) 5.188 2.023 ( 2.645 -0.950 2.135) 3.529 2.506 ( -2.180 0.785 1.405) 2.710 2.670 ( -2.865 -2.493 -0.554) 3.838 2.795 ( 1.292 1.076 -0.349) 1.717 2.868 ( 4.810 17.109 -0.371) 17.776 2.932 ( 0.769 1.540 0.201) 1.733 2.948 ( -1.320 0.264 -0.161) 1.356 3.059 ( 0.579 13.975 0.640) 14.002 3.174 ( -0.455 -4.169 0.205) 4.199 3.295 ( 0.410 9.197 -0.509) 9.220 3.435 ( -3.607 4.774 -0.118) 5.985 3.633 ( -0.107 -8.941 -0.133) 8.943 3.682 ( -3.316 -8.557 0.638) 9.200 3.725 ( -0.718 -3.740 -0.226) 3.815 3.815 ( -3.756 -8.575 0.131) 9.363 3.946 ( 3.521 -0.716 1.011) 3.733 3.970 ( 4.662 -0.707 -2.370) 5.277 4.038 ( 1.180 -1.267 1.105) 2.054 4.060 ( -0.898 -0.835 1.044) 1.610 4.681 ( 8.553 -6.457 -1.268) 10.792 4.766 ( 2.999 -9.164 2.155) 9.880 4.901 ( 6.686 -9.118 5.384) 12.524 4.970 ( 5.203 -10.368 -2.868) 11.950 5.918 ( 0.168 -0.153 0.014) 0.227 5.938 ( -0.447 0.923 0.263) 1.059 6.069 ( -1.832 -2.012 -1.986) 3.369 6.271 ( -1.825 -1.336 -0.187) 2.270 ======================= Grid point 181 (78/98) ======================= q-point: ( 0.50 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 0.000 3.943 -0.000) 3.943 0.709 ( -0.000 -2.793 0.000) 2.793 0.856 ( 0.000 -5.274 -0.000) 5.274 0.918 ( 0.000 -3.144 -0.000) 3.144 0.942 ( 0.000 -7.038 0.000) 7.038 0.944 ( -0.000 -2.927 -0.000) 2.927 1.012 ( -0.000 -0.079 0.000) 0.079 1.078 ( -0.000 0.572 0.000) 0.572 1.104 ( 0.000 2.084 -0.000) 2.084 1.131 ( 0.000 1.261 0.000) 1.261 1.220 ( -0.000 5.983 0.000) 5.983 1.262 ( 0.000 -1.985 -0.000) 1.985 1.312 ( -0.000 1.668 0.000) 1.668 1.362 ( 0.000 -0.023 -0.000) 0.023 1.378 ( -0.000 7.498 0.000) 7.498 1.494 ( 0.000 6.709 0.000) 6.709 1.636 ( 0.000 1.517 -0.000) 1.517 1.706 ( -0.000 10.274 0.000) 10.274 1.778 ( 0.000 16.485 -0.000) 16.485 1.905 ( -0.000 3.618 -0.000) 3.618 1.933 ( 0.000 5.511 0.000) 5.511 2.047 ( -0.000 -0.436 -0.000) 0.436 2.483 ( -0.000 1.535 0.000) 1.535 2.631 ( -0.000 -1.918 0.000) 1.918 2.802 ( 0.000 2.055 0.000) 2.055 2.925 ( -0.000 1.263 0.000) 1.263 2.933 ( 0.000 -6.664 0.000) 6.664 2.950 ( -0.000 12.379 0.000) 12.379 3.095 ( -0.000 10.654 0.000) 10.654 3.156 ( 0.000 -7.366 0.000) 7.366 3.301 ( -0.000 6.840 0.000) 6.840 3.393 ( -0.000 2.863 0.000) 2.863 3.627 ( -0.000 -14.489 0.000) 14.489 3.652 ( 0.000 -5.328 -0.000) 5.328 3.721 ( 0.000 -3.535 -0.000) 3.535 3.770 ( -0.000 -10.161 -0.000) 10.161 3.984 ( -0.000 -1.255 -0.000) 1.255 4.012 ( -0.000 0.812 0.000) 0.812 4.049 ( -0.000 -1.164 0.000) 1.164 4.056 ( 0.000 -3.140 -0.000) 3.140 4.770 ( -0.000 -9.693 0.000) 9.693 4.774 ( 0.000 -8.983 -0.000) 8.983 4.984 ( -0.000 -9.892 -0.000) 9.892 5.024 ( -0.000 -11.475 0.000) 11.475 5.921 ( -0.000 0.054 0.000) 0.054 5.935 ( 0.000 1.150 0.000) 1.150 6.042 ( -0.000 -1.467 -0.000) 1.467 6.253 ( -0.000 -0.734 0.000) 0.734 ======================= Grid point 185 (79/98) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -0.000 2.897 0.000) 2.897 0.833 ( 0.000 4.918 -0.000) 4.918 0.899 ( 0.000 13.138 0.000) 13.138 0.912 ( 0.000 13.317 0.000) 13.317 1.024 ( -0.000 1.051 0.000) 1.051 1.080 ( -0.000 10.520 0.000) 10.520 1.086 ( -0.000 7.522 -0.000) 7.522 1.098 ( 0.000 5.085 0.000) 5.085 1.166 ( 0.000 2.235 0.000) 2.235 1.191 ( -0.000 -1.761 -0.000) 1.761 1.236 ( 0.000 3.939 -0.000) 3.939 1.238 ( 0.000 2.785 0.000) 2.785 1.369 ( 0.000 1.207 0.000) 1.207 1.469 ( -0.000 1.286 0.000) 1.286 1.522 ( 0.000 8.528 -0.000) 8.528 1.539 ( -0.000 10.828 0.000) 10.828 1.754 ( -0.000 5.022 0.000) 5.022 1.763 ( 0.000 4.430 0.000) 4.430 1.838 ( 0.000 6.173 0.000) 6.173 1.849 ( -0.000 4.947 0.000) 4.947 2.122 ( 0.000 22.564 0.000) 22.564 2.161 ( -0.000 17.999 -0.000) 17.999 2.556 ( 0.000 -5.328 0.000) 5.328 2.607 ( 0.000 -1.403 0.000) 1.403 2.780 ( 0.000 3.695 0.000) 3.695 2.864 ( -0.000 -5.160 0.000) 5.160 2.980 ( 0.000 -2.030 0.000) 2.030 3.035 ( 0.000 1.093 0.000) 1.093 3.400 ( 0.000 6.919 0.000) 6.919 3.485 ( 0.000 15.095 0.000) 15.095 3.571 ( 0.000 3.343 0.000) 3.343 3.595 ( 0.000 -12.195 0.000) 12.195 3.669 ( -0.000 1.160 0.000) 1.160 3.738 ( 0.000 -5.682 -0.000) 5.682 3.741 ( -0.000 -2.246 0.000) 2.246 3.818 ( 0.000 0.621 0.000) 0.621 3.851 ( 0.000 -4.170 0.000) 4.170 3.911 ( -0.000 -5.350 0.000) 5.350 4.032 ( -0.000 0.826 0.000) 0.826 4.061 ( 0.000 19.160 -0.000) 19.160 4.257 ( 0.000 15.736 0.000) 15.736 4.420 ( -0.000 -1.011 0.000) 1.011 4.577 ( 0.000 -10.829 -0.000) 10.829 4.699 ( 0.000 -10.799 0.000) 10.799 5.898 ( 0.000 -0.829 0.000) 0.829 5.951 ( -0.000 0.205 0.000) 0.205 6.069 ( 0.000 -3.003 0.000) 3.003 6.257 ( 0.000 -4.067 0.000) 4.067 ======================= Grid point 187 (80/98) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -6.172 11.801 -3.960) 13.894 0.806 ( 0.646 7.239 -7.120) 10.174 0.836 ( -3.090 8.646 1.274) 9.270 0.858 ( -4.334 4.314 4.573) 7.636 1.001 ( -2.115 1.054 4.328) 4.932 1.073 ( -2.298 0.784 0.180) 2.435 1.112 ( 0.452 2.616 -0.236) 2.665 1.131 ( -3.656 1.413 0.433) 3.943 1.154 ( 2.750 4.136 -1.424) 5.167 1.205 ( 1.700 1.141 -1.827) 2.744 1.220 ( -0.163 3.144 -0.859) 3.263 1.294 ( -0.017 3.138 1.572) 3.510 1.332 ( -0.009 4.004 1.880) 4.423 1.466 ( -1.543 1.497 0.953) 2.352 1.528 ( 0.507 9.389 0.661) 9.426 1.539 ( 0.745 10.781 -0.277) 10.810 1.690 ( -3.157 6.130 -0.814) 6.943 1.790 ( -1.058 5.177 0.784) 5.342 1.859 ( 5.988 4.357 -0.213) 7.408 1.920 ( 4.762 4.830 -0.058) 6.783 2.093 ( -0.429 21.659 -2.149) 21.770 2.170 ( -0.174 19.015 1.341) 19.063 2.541 ( -1.256 -2.653 0.525) 2.982 2.626 ( 0.751 -2.609 0.815) 2.835 2.777 ( 0.093 1.743 -0.549) 1.830 2.868 ( -0.325 -3.916 0.869) 4.024 2.974 ( -0.304 -1.289 -0.555) 1.436 3.030 ( -0.146 0.023 -1.193) 1.203 3.361 ( -4.633 6.846 0.447) 8.278 3.443 ( -5.047 6.234 0.113) 8.022 3.525 ( -4.543 -1.644 -0.878) 4.911 3.530 ( -5.354 -4.977 -0.116) 7.310 3.617 ( -7.662 7.056 1.117) 10.475 3.628 ( -6.969 -3.965 0.714) 8.050 3.697 ( -6.683 -3.283 0.191) 7.449 3.790 ( -2.852 0.018 0.014) 2.852 3.856 ( 3.473 0.720 -0.736) 3.623 3.880 ( 1.675 -2.850 0.337) 3.322 4.024 ( 0.338 -2.493 1.310) 2.837 4.068 ( 0.445 8.556 -4.664) 9.754 4.426 ( 7.740 5.567 8.347) 12.672 4.480 ( 4.015 -8.196 -1.362) 9.228 4.583 ( 2.693 -8.948 -1.953) 9.547 4.693 ( -0.319 -12.047 0.176) 12.052 5.904 ( 0.611 -0.521 0.062) 0.805 5.955 ( 0.285 0.552 0.093) 0.628 6.055 ( -0.888 -2.848 -1.470) 3.325 6.250 ( -0.705 -3.238 0.153) 3.318 ======================= Grid point 188 (81/98) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( -0.871 6.638 -3.963) 7.780 0.764 ( -1.332 4.799 1.007) 5.082 0.805 ( -4.577 1.515 2.552) 5.455 0.820 ( 3.360 3.224 -7.445) 8.781 0.986 ( -3.584 0.106 0.252) 3.595 0.997 ( -6.764 -2.118 1.273) 7.201 1.040 ( -3.856 0.852 3.211) 5.090 1.100 ( -0.877 -0.389 0.984) 1.374 1.139 ( -2.891 2.383 -0.017) 3.747 1.177 ( -0.431 2.270 -1.185) 2.596 1.257 ( -0.229 1.403 0.658) 1.567 1.281 ( 1.431 3.537 1.036) 3.954 1.384 ( 1.252 3.450 0.854) 3.768 1.413 ( -3.168 3.577 -0.587) 4.814 1.526 ( -0.285 6.652 -0.423) 6.672 1.585 ( 2.383 9.197 1.979) 9.704 1.648 ( -0.520 2.144 -1.272) 2.547 1.794 ( -0.292 1.745 0.712) 1.907 1.963 ( 5.868 6.084 -1.626) 8.608 2.020 ( 4.894 4.213 0.198) 6.460 2.114 ( 3.463 19.941 -0.753) 20.254 2.186 ( 1.244 18.750 1.285) 18.835 2.524 ( -0.880 -0.825 0.508) 1.309 2.627 ( -0.739 0.332 0.112) 0.818 2.783 ( 0.700 -1.993 0.082) 2.114 2.850 ( -1.863 -3.353 -0.171) 3.840 2.965 ( -0.307 0.254 -0.716) 0.820 3.002 ( -2.618 -4.032 -0.342) 4.819 3.247 ( -6.268 6.750 0.403) 9.220 3.339 ( -4.177 -1.907 0.335) 4.604 3.397 ( -7.118 -10.786 -0.407) 12.929 3.417 ( -7.498 7.442 1.292) 10.643 3.496 ( -1.809 4.270 -1.092) 4.764 3.539 ( -3.817 -5.229 0.419) 6.487 3.624 ( -2.565 -6.014 0.261) 6.544 3.728 ( -3.051 1.992 -0.123) 3.646 3.930 ( 4.276 -2.211 -0.783) 4.877 3.935 ( 3.355 -1.860 -0.116) 3.838 4.023 ( -1.126 -2.435 0.180) 2.688 4.054 ( -0.726 4.079 -0.066) 4.143 4.494 ( 0.797 -14.929 -0.822) 14.972 4.535 ( 1.187 -8.006 -0.180) 8.096 4.669 ( 2.961 -11.984 4.408) 13.108 4.701 ( 1.248 -14.555 -0.843) 14.632 5.918 ( 0.650 0.054 0.130) 0.665 5.961 ( 0.286 1.244 0.208) 1.293 6.024 ( -0.950 -2.190 -1.745) 2.957 6.238 ( -0.604 -1.832 0.274) 1.949 ======================= Grid point 189 (82/98) ======================= q-point: ( 0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( -0.000 2.117 0.000) 2.117 0.707 ( -0.000 -0.459 -0.000) 0.459 0.787 ( 0.000 -1.306 0.000) 1.306 0.843 ( 0.000 -0.104 -0.000) 0.104 0.900 ( -0.000 1.259 0.000) 1.259 0.929 ( -0.000 1.243 0.000) 1.243 1.032 ( -0.000 1.985 0.000) 1.985 1.101 ( 0.000 1.878 -0.000) 1.878 1.102 ( -0.000 -1.871 0.000) 1.871 1.170 ( 0.000 2.449 0.000) 2.449 1.251 ( -0.000 1.110 -0.000) 1.110 1.303 ( -0.000 2.371 0.000) 2.371 1.369 ( -0.000 2.762 0.000) 2.762 1.406 ( 0.000 4.029 -0.000) 4.029 1.520 ( 0.000 6.120 0.000) 6.120 1.623 ( -0.000 5.223 0.000) 5.223 1.637 ( 0.000 -0.459 -0.000) 0.459 1.786 ( -0.000 -0.006 0.000) 0.006 2.021 ( 0.000 5.277 -0.000) 5.277 2.076 ( 0.000 4.614 -0.000) 4.614 2.154 ( 0.000 19.241 0.000) 19.241 2.212 ( 0.000 18.052 0.000) 18.052 2.517 ( 0.000 0.432 0.000) 0.432 2.618 ( -0.000 2.503 0.000) 2.503 2.791 ( 0.000 -7.013 0.000) 7.013 2.824 ( -0.000 -0.339 0.000) 0.339 2.957 ( -0.000 -11.045 0.000) 11.045 2.961 ( 0.000 4.786 -0.000) 4.786 3.189 ( -0.000 8.006 0.000) 8.006 3.310 ( -0.000 -8.685 0.000) 8.685 3.322 ( 0.000 -10.119 -0.000) 10.119 3.335 ( 0.000 11.192 -0.000) 11.192 3.488 ( -0.000 5.152 0.000) 5.152 3.495 ( 0.000 -8.981 -0.000) 8.981 3.599 ( 0.000 -8.195 -0.000) 8.195 3.696 ( -0.000 3.285 0.000) 3.285 3.979 ( -0.000 -3.706 0.000) 3.706 3.984 ( -0.000 -0.290 -0.000) 0.290 3.995 ( 0.000 -3.461 0.000) 3.461 4.038 ( -0.000 3.251 0.000) 3.251 4.500 ( -0.000 -15.628 0.000) 15.628 4.542 ( -0.000 -12.109 -0.000) 12.109 4.706 ( 0.000 -17.926 -0.000) 17.926 4.714 ( -0.000 -15.454 0.000) 15.454 5.925 ( -0.000 0.321 0.000) 0.321 5.965 ( 0.000 1.606 0.000) 1.606 6.008 ( -0.000 -1.723 -0.000) 1.723 6.234 ( -0.000 -1.230 0.000) 1.230 ======================= Grid point 193 (83/98) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -0.000 2.153 0.000) 2.153 0.895 ( 0.000 1.545 -0.000) 1.545 1.030 ( 0.000 0.955 0.000) 0.955 1.090 ( -0.000 0.560 0.000) 0.560 1.107 ( -0.000 5.872 0.000) 5.872 1.171 ( 0.000 5.928 -0.000) 5.928 1.177 ( -0.000 3.201 0.000) 3.201 1.186 ( 0.000 1.592 0.000) 1.592 1.213 ( 0.000 1.846 0.000) 1.846 1.223 ( -0.000 3.833 0.000) 3.833 1.299 ( -0.000 3.748 -0.000) 3.748 1.340 ( 0.000 4.913 0.000) 4.913 1.396 ( 0.000 1.857 0.000) 1.857 1.485 ( -0.000 0.181 0.000) 0.181 1.578 ( 0.000 -1.233 0.000) 1.233 1.736 ( -0.000 6.391 0.000) 6.391 1.819 ( 0.000 1.535 0.000) 1.535 1.891 ( 0.000 0.295 0.000) 0.295 1.972 ( 0.000 12.354 0.000) 12.354 1.981 ( -0.000 6.100 0.000) 6.100 2.465 ( 0.000 -0.739 0.000) 0.739 2.520 ( 0.000 14.263 0.000) 14.263 2.542 ( -0.000 16.496 -0.000) 16.496 2.600 ( 0.000 1.402 0.000) 1.402 2.771 ( 0.000 -3.356 0.000) 3.356 2.881 ( 0.000 5.343 0.000) 5.343 2.954 ( 0.000 -0.196 0.000) 0.196 3.027 ( 0.000 -4.467 0.000) 4.467 3.298 ( -0.000 -11.435 0.000) 11.435 3.353 ( 0.000 -6.761 0.000) 6.761 3.438 ( 0.000 -15.461 0.000) 15.461 3.534 ( 0.000 -8.404 0.000) 8.404 3.639 ( 0.000 -3.319 0.000) 3.319 3.692 ( 0.000 -2.590 0.000) 2.590 3.744 ( -0.000 2.392 0.000) 2.392 3.806 ( 0.000 -4.326 0.000) 4.326 3.825 ( -0.000 3.344 0.000) 3.344 3.932 ( 0.000 4.798 0.000) 4.798 3.992 ( 0.000 -0.389 0.000) 0.389 4.163 ( 0.000 -8.870 0.000) 8.870 4.302 ( 0.000 -7.747 0.000) 7.747 4.423 ( 0.000 -13.545 0.000) 13.545 4.624 ( 0.000 12.743 -0.000) 12.743 4.631 ( -0.000 11.657 0.000) 11.657 5.887 ( 0.000 -0.207 0.000) 0.207 5.957 ( 0.000 0.186 0.000) 0.186 6.015 ( 0.000 -2.144 0.000) 2.144 6.181 ( 0.000 -3.461 0.000) 3.461 ======================= Grid point 195 (84/98) ======================= q-point: ( 0.17 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 0.254 1.771 -4.614) 4.949 0.888 ( -0.908 2.124 0.097) 2.312 1.009 ( -3.777 2.869 0.934) 4.835 1.038 ( -5.439 8.091 2.326) 10.023 1.063 ( -7.493 5.379 1.225) 9.304 1.072 ( -4.359 2.816 2.433) 5.732 1.138 ( -2.691 0.256 -1.511) 3.097 1.153 ( -4.738 1.338 0.176) 4.926 1.210 ( 0.404 2.565 -0.345) 2.619 1.248 ( 0.380 2.464 -0.601) 2.565 1.289 ( 1.330 2.892 -1.196) 3.400 1.356 ( -3.315 2.612 1.681) 4.543 1.407 ( 3.531 4.372 1.151) 5.736 1.482 ( -0.339 0.589 -0.973) 1.187 1.593 ( 1.591 -0.397 -0.471) 1.706 1.728 ( -1.359 5.230 0.548) 5.431 1.795 ( -2.797 1.821 -0.288) 3.350 1.864 ( -2.307 1.642 0.251) 2.843 1.994 ( 3.100 7.125 0.517) 7.788 2.050 ( 5.187 7.242 -0.231) 8.911 2.464 ( 0.369 4.573 -0.825) 4.662 2.509 ( 0.549 10.549 -2.245) 10.799 2.554 ( -0.686 15.150 1.577) 15.247 2.618 ( 1.928 2.271 1.533) 3.350 2.775 ( 0.630 -2.880 -0.427) 2.979 2.859 ( -2.432 2.762 0.966) 3.804 2.910 ( -4.268 -4.285 -3.195) 6.840 3.046 ( 0.476 -0.504 3.750) 3.814 3.206 ( -4.904 -8.784 -1.984) 10.254 3.312 ( -9.213 -12.954 -0.525) 15.905 3.357 ( -3.342 -7.549 1.958) 8.485 3.501 ( -2.859 -8.219 -0.977) 8.756 3.607 ( -3.729 -0.706 -0.108) 3.797 3.679 ( -2.987 -0.388 0.384) 3.037 3.703 ( -3.618 4.310 -0.721) 5.673 3.818 ( 1.503 -2.112 0.490) 2.639 3.847 ( 1.099 -0.437 -0.365) 1.238 3.885 ( -3.631 3.177 -0.259) 4.832 3.978 ( -1.048 -0.365 0.439) 1.194 4.155 ( -0.984 -6.423 0.239) 6.502 4.267 ( -2.827 -6.485 -1.078) 7.157 4.412 ( -1.148 -13.037 -0.435) 13.094 4.556 ( -2.248 4.568 -7.634) 9.176 4.622 ( -6.701 7.965 9.518) 14.105 5.897 ( 0.892 -0.241 0.101) 0.929 5.964 ( 0.575 0.091 0.219) 0.622 6.005 ( -0.467 -1.850 -1.358) 2.342 6.186 ( 0.292 -3.093 0.500) 3.147 ======================= Grid point 196 (85/98) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -2.625 3.787 -3.976) 6.087 0.837 ( -6.914 4.156 0.909) 8.118 0.900 ( -4.893 5.767 -1.307) 7.675 0.910 ( -4.627 6.928 -0.894) 8.379 0.993 ( -4.396 2.556 2.010) 5.468 1.015 ( -1.037 2.258 -1.110) 2.721 1.064 ( -4.399 1.195 5.402) 7.068 1.110 ( -1.003 2.029 -0.230) 2.275 1.191 ( -2.450 2.799 -0.113) 3.722 1.230 ( -0.152 2.768 -1.238) 3.036 1.310 ( -0.183 3.235 0.412) 3.266 1.324 ( -0.350 1.544 1.041) 1.895 1.443 ( -1.454 2.576 -0.021) 2.959 1.479 ( 1.887 3.556 -0.061) 4.026 1.619 ( 1.261 2.055 -0.910) 2.577 1.683 ( -2.390 2.697 -1.416) 3.872 1.736 ( -3.569 4.582 1.974) 6.135 1.820 ( -2.171 1.711 0.100) 2.766 2.056 ( 2.324 2.247 0.553) 3.280 2.139 ( 4.027 4.698 -0.592) 6.216 2.471 ( 1.052 8.522 -1.819) 8.777 2.515 ( 0.916 4.622 -0.285) 4.720 2.545 ( -0.380 13.833 1.292) 13.899 2.676 ( 2.571 3.879 1.198) 4.806 2.782 ( -4.863 -2.714 -3.524) 6.590 2.784 ( 0.156 -0.268 -0.344) 0.463 2.820 ( -2.425 -3.399 2.888) 5.077 3.074 ( -0.759 1.798 2.762) 3.382 3.138 ( -5.177 -8.698 -0.005) 10.122 3.161 ( -0.153 -6.288 -2.873) 6.915 3.295 ( -4.526 -4.490 1.922) 6.659 3.434 ( -3.037 -8.614 -0.950) 9.183 3.496 ( -7.005 3.307 -0.703) 7.778 3.590 ( -4.654 5.220 0.177) 6.996 3.637 ( -2.603 5.317 -0.285) 5.926 3.807 ( -2.300 3.557 -0.242) 4.243 3.856 ( 1.940 -3.347 0.364) 3.886 3.901 ( 3.195 -2.728 -0.575) 4.240 3.958 ( -1.342 -2.916 0.380) 3.232 4.129 ( -1.845 -1.758 0.236) 2.559 4.209 ( -1.840 -8.228 -0.765) 8.466 4.380 ( -0.910 -9.732 -1.988) 9.975 4.460 ( -3.189 -6.774 -3.949) 8.465 4.510 ( -10.540 -1.656 7.319) 12.938 5.916 ( 0.917 -0.309 0.153) 0.980 5.975 ( 0.081 -1.049 0.239) 1.079 5.990 ( 0.208 -0.167 -1.295) 1.322 6.195 ( 0.284 -2.450 0.435) 2.505 ======================= Grid point 197 (86/98) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -0.000 5.814 0.000) 5.814 0.771 ( -0.000 4.129 -0.000) 4.129 0.814 ( -0.000 5.549 0.000) 5.549 0.898 ( 0.000 3.519 -0.000) 3.519 0.960 ( -0.000 4.188 0.000) 4.188 0.989 ( -0.000 4.548 0.000) 4.548 1.051 ( -0.000 -0.990 0.000) 0.990 1.101 ( -0.000 3.321 0.000) 3.321 1.157 ( 0.000 3.418 0.000) 3.418 1.226 ( 0.000 2.968 -0.000) 2.968 1.304 ( -0.000 3.485 0.000) 3.485 1.333 ( -0.000 1.039 0.000) 1.039 1.419 ( -0.000 2.787 0.000) 2.787 1.501 ( -0.000 5.231 0.000) 5.231 1.620 ( -0.000 3.635 0.000) 3.635 1.661 ( -0.000 3.950 0.000) 3.950 1.703 ( -0.000 2.652 0.000) 2.652 1.798 ( -0.000 2.377 0.000) 2.377 2.079 ( -0.000 0.598 0.000) 0.598 2.176 ( -0.000 2.815 -0.000) 2.815 2.471 ( -0.000 5.694 -0.000) 5.694 2.527 ( -0.000 1.732 0.000) 1.732 2.557 ( -0.000 15.207 0.000) 15.207 2.705 ( -0.000 1.684 -0.000) 1.684 2.724 ( -0.000 6.338 0.000) 6.338 2.775 ( -0.000 -5.646 0.000) 5.646 2.816 ( -0.000 -0.502 0.000) 0.502 3.060 ( -0.000 -11.544 0.000) 11.544 3.086 ( -0.000 6.055 0.000) 6.055 3.184 ( -0.000 -5.548 0.000) 5.548 3.244 ( -0.000 -1.988 0.000) 1.988 3.398 ( -0.000 -8.912 0.000) 8.912 3.413 ( -0.000 3.646 0.000) 3.646 3.547 ( -0.000 8.635 -0.000) 8.635 3.610 ( -0.000 5.575 0.000) 5.575 3.784 ( -0.000 3.770 0.000) 3.770 3.881 ( -0.000 -4.546 -0.000) 4.546 3.937 ( -0.000 -2.202 -0.000) 2.202 3.944 ( -0.000 -4.521 0.000) 4.521 4.105 ( -0.000 1.066 -0.000) 1.066 4.200 ( -0.000 -11.878 0.000) 11.878 4.379 ( -0.000 -2.309 0.000) 2.309 4.391 ( 0.000 -10.785 -0.000) 10.785 4.413 ( -0.000 -12.168 -0.000) 12.168 5.926 ( -0.000 -0.353 0.000) 0.353 5.973 ( -0.000 -1.753 0.000) 1.753 5.992 ( -0.000 0.858 0.000) 0.858 6.200 ( -0.000 -2.161 0.000) 2.161 ======================= Grid point 201 (87/98) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -0.000 -1.577 0.000) 1.577 0.912 ( 0.000 1.121 -0.000) 1.121 1.047 ( -0.000 -2.832 0.000) 2.832 1.063 ( 0.000 1.729 0.000) 1.729 1.153 ( 0.000 0.177 0.000) 0.177 1.195 ( -0.000 -1.179 0.000) 1.179 1.227 ( 0.000 -0.399 0.000) 0.399 1.253 ( 0.000 3.269 -0.000) 3.269 1.255 ( -0.000 0.742 0.000) 0.742 1.285 ( -0.000 2.691 0.000) 2.691 1.353 ( 0.000 -1.802 -0.000) 1.802 1.393 ( -0.000 4.635 0.000) 4.635 1.491 ( 0.000 5.563 -0.000) 5.563 1.499 ( -0.000 2.400 0.000) 2.400 1.570 ( 0.000 1.309 0.000) 1.309 1.786 ( 0.000 -2.986 0.000) 2.986 1.840 ( 0.000 3.423 0.000) 3.423 1.882 ( 0.000 -1.002 0.000) 1.002 2.014 ( 0.000 -2.784 0.000) 2.784 2.150 ( 0.000 4.027 0.000) 4.027 2.534 ( -0.000 4.649 0.000) 4.649 2.554 ( 0.000 -12.511 -0.000) 12.511 2.612 ( -0.000 -2.255 0.000) 2.255 2.703 ( 0.000 -4.582 0.000) 4.582 2.746 ( -0.000 -0.923 0.000) 0.923 2.937 ( 0.000 -1.032 0.000) 1.032 2.967 ( 0.000 7.768 0.000) 7.768 2.973 ( -0.000 0.383 0.000) 0.383 3.179 ( 0.000 -2.963 -0.000) 2.963 3.247 ( -0.000 -1.718 0.000) 1.718 3.262 ( 0.000 3.532 -0.000) 3.532 3.346 ( -0.000 -8.330 0.000) 8.330 3.527 ( 0.000 -7.193 0.000) 7.193 3.566 ( -0.000 -9.216 0.000) 9.216 3.717 ( -0.000 -2.838 -0.000) 2.838 3.719 ( 0.000 -3.211 0.000) 3.211 3.905 ( -0.000 2.612 0.000) 2.612 3.930 ( 0.000 -8.063 0.000) 8.063 3.963 ( 0.000 -0.200 0.000) 0.200 4.023 ( -0.000 0.655 0.000) 0.655 4.182 ( 0.000 -7.585 0.000) 7.585 4.246 ( -0.000 -0.615 0.000) 0.615 4.746 ( -0.000 -1.321 0.000) 1.321 4.747 ( 0.000 -1.233 -0.000) 1.233 5.887 ( 0.000 0.087 0.000) 0.087 5.943 ( 0.000 -1.584 0.000) 1.584 5.996 ( 0.000 0.271 0.000) 0.271 6.116 ( -0.000 -2.880 0.000) 2.880 ======================= Grid point 203 (88/98) ======================= q-point: ( 0.17 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -1.071 1.075 -2.120) 2.607 0.907 ( 0.808 -0.198 0.604) 1.028 1.027 ( -1.727 -1.101 0.463) 2.100 1.062 ( -1.290 0.243 2.036) 2.422 1.111 ( -3.159 0.327 -0.824) 3.281 1.137 ( -2.900 0.803 -0.851) 3.128 1.216 ( -2.595 4.116 1.154) 5.001 1.244 ( -3.879 5.111 0.174) 6.418 1.258 ( -0.806 3.366 0.530) 3.501 1.294 ( 1.157 1.837 -0.263) 2.187 1.339 ( -0.526 2.255 -1.466) 2.741 1.381 ( -0.207 -0.586 2.710) 2.781 1.500 ( 0.303 2.044 -0.354) 2.096 1.515 ( 1.778 4.958 0.035) 5.267 1.589 ( 2.309 1.253 -0.391) 2.656 1.770 ( -1.476 -1.339 -0.778) 2.139 1.820 ( -1.437 2.992 0.172) 3.323 1.879 ( -0.111 -0.071 0.506) 0.522 2.022 ( 0.638 -3.264 -0.084) 3.327 2.161 ( 0.724 2.410 0.523) 2.570 2.495 ( -4.339 -13.071 -1.309) 13.835 2.547 ( 1.177 3.045 0.176) 3.269 2.613 ( 0.447 -3.358 -1.164) 3.582 2.694 ( -0.888 -5.090 0.722) 5.217 2.745 ( 0.013 -1.090 -0.012) 1.090 2.903 ( -2.682 9.315 -0.065) 9.694 2.931 ( -2.720 -1.269 -0.225) 3.009 3.014 ( 1.794 1.266 2.386) 3.242 3.119 ( -4.035 3.171 0.672) 5.176 3.210 ( 0.105 0.517 -4.505) 4.536 3.302 ( 0.754 3.182 2.451) 4.087 3.346 ( -1.683 -4.885 0.157) 5.169 3.552 ( 1.769 -4.816 -0.190) 5.134 3.619 ( 4.300 -6.613 -0.015) 7.888 3.708 ( 0.015 -2.544 -0.592) 2.612 3.762 ( 2.887 -1.643 0.546) 3.366 3.886 ( -1.466 2.887 -0.167) 3.242 3.907 ( -3.428 -1.594 0.032) 3.780 3.961 ( 1.481 -3.767 -0.055) 4.048 3.999 ( -2.306 0.318 0.183) 2.335 4.169 ( -1.258 -6.802 -0.980) 6.987 4.238 ( -0.827 -1.498 1.290) 2.142 4.614 ( -8.656 -1.048 -6.541) 10.900 4.694 ( -9.810 -1.556 6.291) 11.757 5.892 ( 0.537 -0.232 0.012) 0.585 5.942 ( -0.091 -1.801 -0.103) 1.807 5.994 ( 0.169 0.431 -0.577) 0.740 6.124 ( 0.606 -2.907 0.478) 3.008 ======================= Grid point 204 (89/98) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -1.091 2.016 -1.290) 2.630 0.910 ( -0.348 2.902 -1.291) 3.195 0.993 ( -2.052 2.719 0.706) 3.479 1.034 ( -3.178 2.278 1.308) 4.123 1.064 ( -0.303 3.700 -1.993) 4.213 1.088 ( -2.768 4.201 -0.095) 5.032 1.139 ( -5.300 7.222 2.557) 9.316 1.173 ( -1.791 4.186 1.676) 4.852 1.253 ( -0.941 3.392 -0.496) 3.555 1.295 ( 0.113 3.530 -0.846) 3.632 1.341 ( 0.612 1.207 0.259) 1.378 1.384 ( -1.326 2.455 1.675) 3.254 1.495 ( -0.593 2.556 -0.280) 2.639 1.570 ( 4.388 4.020 -0.523) 5.974 1.650 ( 4.242 1.732 -1.033) 4.697 1.732 ( -1.889 2.202 -0.369) 2.924 1.803 ( -1.152 2.810 1.193) 3.263 1.892 ( 1.245 4.043 -0.074) 4.231 2.033 ( 0.587 -3.744 0.169) 3.793 2.180 ( 1.014 0.104 0.289) 1.060 2.427 ( -1.527 -8.507 -0.734) 8.674 2.565 ( 0.141 0.673 0.150) 0.704 2.618 ( 0.866 -4.769 -1.014) 4.952 2.692 ( 0.621 -3.699 0.519) 3.786 2.752 ( 0.959 -3.288 -1.165) 3.618 2.853 ( -2.819 4.539 1.040) 5.444 2.881 ( -2.330 6.736 0.414) 7.140 3.037 ( -1.710 5.334 0.548) 5.628 3.080 ( 1.005 0.664 0.435) 1.281 3.190 ( -0.778 3.865 -1.524) 4.226 3.283 ( -3.876 -4.621 -0.132) 6.033 3.330 ( 0.984 7.930 1.142) 8.072 3.557 ( -0.992 1.404 -0.884) 1.933 3.678 ( 2.051 1.921 0.357) 2.833 3.700 ( -0.395 0.208 -0.499) 0.670 3.806 ( 0.955 -1.338 0.205) 1.657 3.846 ( -1.992 1.246 -0.039) 2.350 3.873 ( 0.231 1.663 0.138) 1.685 3.937 ( -3.544 -0.137 0.172) 3.550 4.021 ( 3.624 -2.275 -0.263) 4.287 4.125 ( -2.642 -3.953 -0.267) 4.762 4.246 ( 0.503 -2.540 1.299) 2.897 4.393 ( -8.925 -1.709 -5.043) 10.393 4.509 ( -11.969 -0.352 4.267) 12.711 5.904 ( 0.553 -0.873 0.044) 1.034 5.938 ( -0.181 -1.920 -0.259) 1.946 5.997 ( 0.400 0.297 -0.330) 0.598 6.139 ( 0.531 -2.993 0.386) 3.064 ======================= Grid point 205 (90/98) ======================= q-point: ( 0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -0.000 3.291 -0.000) 3.291 0.893 ( -0.000 6.147 0.000) 6.147 0.974 ( -0.000 4.395 0.000) 4.395 1.002 ( -0.000 9.408 0.000) 9.408 1.046 ( -0.000 3.115 0.000) 3.115 1.066 ( 0.000 4.298 0.000) 4.298 1.093 ( -0.000 5.018 0.000) 5.018 1.177 ( 0.000 3.710 0.000) 3.710 1.230 ( -0.000 4.016 0.000) 4.016 1.295 ( -0.000 4.054 -0.000) 4.054 1.360 ( 0.000 1.656 -0.000) 1.656 1.365 ( -0.000 2.535 0.000) 2.535 1.484 ( -0.000 2.866 0.000) 2.866 1.650 ( 0.000 -1.183 0.000) 1.183 1.652 ( -0.000 9.133 0.000) 9.133 1.734 ( -0.000 0.415 0.000) 0.415 1.785 ( -0.000 6.139 0.000) 6.139 1.908 ( -0.000 6.987 0.000) 6.987 2.041 ( -0.000 -3.894 0.000) 3.894 2.193 ( -0.000 -0.572 0.000) 0.572 2.418 ( -0.000 -3.500 -0.000) 3.500 2.559 ( -0.000 0.468 0.000) 0.468 2.623 ( -0.000 -5.746 0.000) 5.746 2.719 ( 0.000 -4.141 -0.000) 4.141 2.746 ( 0.000 -5.315 0.000) 5.315 2.828 ( -0.000 0.697 0.000) 0.697 2.859 ( -0.000 10.872 -0.000) 10.872 3.013 ( -0.000 7.069 0.000) 7.069 3.112 ( -0.000 -0.589 0.000) 0.589 3.168 ( -0.000 6.198 0.000) 6.198 3.230 ( -0.000 -5.520 0.000) 5.520 3.351 ( -0.000 10.000 0.000) 10.000 3.536 ( -0.000 5.837 0.000) 5.837 3.692 ( -0.000 1.626 0.000) 1.626 3.710 ( -0.000 5.873 -0.000) 5.873 3.806 ( -0.000 0.199 -0.000) 0.199 3.842 ( 0.000 -3.754 -0.000) 3.754 3.863 ( -0.000 1.787 0.000) 1.787 3.899 ( 0.000 -1.600 0.000) 1.600 4.075 ( 0.000 -1.936 -0.000) 1.936 4.079 ( -0.000 0.167 0.000) 0.167 4.256 ( 0.000 -4.172 0.000) 4.172 4.287 ( 0.000 -0.320 -0.000) 0.320 4.393 ( -0.000 1.339 0.000) 1.339 5.910 ( -0.000 -1.196 0.000) 1.196 5.935 ( -0.000 -1.900 0.000) 1.900 6.000 ( -0.000 0.096 0.000) 0.096 6.146 ( 0.000 -3.052 -0.000) 3.052 ======================= Grid point 209 (91/98) ======================= q-point: ( 0.00 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -0.000 -1.332 0.000) 1.332 0.905 ( 0.000 -1.755 0.000) 1.755 0.995 ( -0.000 -2.218 0.000) 2.218 1.052 ( -0.000 -3.151 0.000) 3.151 1.146 ( 0.000 -2.430 0.000) 2.430 1.157 ( -0.000 -0.137 0.000) 0.137 1.215 ( 0.000 0.141 0.000) 0.141 1.256 ( 0.000 -0.219 0.000) 0.219 1.300 ( -0.000 1.554 0.000) 1.554 1.314 ( 0.000 0.469 0.000) 0.469 1.320 ( -0.000 -1.141 0.000) 1.141 1.425 ( 0.000 -2.092 0.000) 2.092 1.583 ( -0.000 3.266 0.000) 3.266 1.605 ( -0.000 6.520 0.000) 6.520 1.631 ( 0.000 4.738 -0.000) 4.738 1.700 ( 0.000 -4.150 0.000) 4.150 1.821 ( 0.000 -5.160 0.000) 5.160 1.889 ( -0.000 -2.761 0.000) 2.761 1.930 ( 0.000 -0.348 0.000) 0.348 2.144 ( 0.000 -3.983 0.000) 3.983 2.297 ( 0.000 -6.061 0.000) 6.061 2.436 ( 0.000 -10.387 0.000) 10.387 2.551 ( 0.000 -8.600 0.000) 8.600 2.576 ( -0.000 -8.268 0.000) 8.268 2.665 ( -0.000 -0.827 0.000) 0.827 2.864 ( 0.000 -4.557 0.000) 4.557 3.001 ( 0.000 2.891 0.000) 2.891 3.113 ( 0.000 3.022 0.000) 3.022 3.180 ( -0.000 0.906 -0.000) 0.906 3.244 ( 0.000 0.746 0.000) 0.746 3.304 ( -0.000 2.984 0.000) 2.984 3.325 ( 0.000 -2.799 -0.000) 2.799 3.453 ( -0.000 1.764 -0.000) 1.764 3.472 ( 0.000 4.365 0.000) 4.365 3.660 ( 0.000 -2.709 0.000) 2.709 3.699 ( 0.000 0.035 -0.000) 0.035 3.869 ( 0.000 0.843 0.000) 0.843 3.970 ( -0.000 5.521 0.000) 5.521 3.975 ( 0.000 1.254 0.000) 1.254 4.027 ( -0.000 2.698 0.000) 2.698 4.100 ( 0.000 -1.598 0.000) 1.598 4.227 ( -0.000 -1.231 0.000) 1.231 4.590 ( 0.000 -12.933 0.000) 12.933 4.593 ( -0.000 -12.758 -0.000) 12.758 5.890 ( -0.000 0.202 0.000) 0.202 5.912 ( 0.000 -1.206 0.000) 1.206 6.010 ( 0.000 0.970 0.000) 0.970 6.066 ( -0.000 -2.007 0.000) 2.007 ======================= Grid point 211 (92/98) ======================= q-point: ( 0.17 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 2.260 -0.627 1.852) 2.988 0.899 ( 0.747 -0.951 -0.953) 1.540 0.990 ( 0.599 -1.108 -1.107) 1.678 1.047 ( -0.608 -1.348 0.688) 1.631 1.143 ( -0.231 1.476 -0.525) 1.584 1.147 ( -0.381 0.490 0.282) 0.681 1.257 ( 0.808 0.239 -0.118) 0.851 1.268 ( 3.225 -0.695 -0.021) 3.299 1.318 ( 1.347 0.296 -0.631) 1.517 1.334 ( 1.854 1.548 0.263) 2.429 1.340 ( 1.499 -0.763 1.477) 2.238 1.407 ( -2.509 2.168 0.340) 3.333 1.551 ( -1.481 2.819 1.231) 3.414 1.588 ( -0.263 2.622 -0.240) 2.646 1.656 ( 1.552 3.530 -1.592) 4.172 1.732 ( 1.304 -1.201 0.769) 1.932 1.830 ( 1.830 -5.006 -0.065) 5.330 1.883 ( -0.636 0.589 -0.094) 0.872 1.924 ( -0.283 -2.787 0.257) 2.813 2.142 ( -0.164 -3.843 0.354) 3.863 2.311 ( 2.687 -0.737 -0.278) 2.800 2.426 ( 1.012 -6.451 0.171) 6.532 2.574 ( 1.844 -3.481 -0.630) 3.989 2.635 ( 3.193 -3.608 0.501) 4.844 2.679 ( 2.000 -3.177 -1.907) 4.211 2.859 ( -1.062 -4.814 -0.748) 4.987 3.001 ( 0.404 2.248 0.890) 2.451 3.109 ( -1.283 3.593 1.743) 4.195 3.208 ( 2.893 0.753 -1.443) 3.319 3.249 ( -0.461 4.925 -1.173) 5.084 3.305 ( -0.455 -1.643 1.419) 2.218 3.377 ( 6.365 -0.150 0.374) 6.378 3.460 ( 2.476 0.019 -0.740) 2.584 3.530 ( 4.468 2.483 1.209) 5.253 3.653 ( 0.495 -2.719 -1.259) 3.037 3.730 ( 2.860 -2.066 0.573) 3.574 3.883 ( 0.256 0.699 0.302) 0.803 3.959 ( -1.606 2.716 0.182) 3.161 3.978 ( 0.147 1.690 -0.497) 1.767 4.037 ( 1.282 5.953 -0.095) 6.090 4.091 ( -0.717 -0.848 -0.335) 1.160 4.230 ( 0.323 0.726 1.224) 1.459 4.500 ( -5.865 -9.360 -4.760) 12.028 4.568 ( -5.388 -9.944 3.998) 11.996 5.888 ( -0.098 -0.104 -0.101) 0.175 5.909 ( -0.281 -1.318 -0.078) 1.350 6.008 ( -0.123 0.905 -0.189) 0.933 6.070 ( 0.314 -2.301 0.309) 2.343 ======================= Grid point 212 (93/98) ======================= q-point: ( 0.33 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 0.733 1.895 -0.333) 2.058 0.954 ( 1.590 0.800 -0.155) 1.787 1.016 ( 2.154 -0.032 -0.390) 2.189 1.039 ( -0.523 -0.268 1.082) 1.231 1.136 ( 0.614 3.649 -0.498) 3.734 1.173 ( 2.153 3.407 0.729) 4.096 1.241 ( -1.811 2.189 -0.295) 2.857 1.282 ( -2.530 4.867 -0.129) 5.487 1.330 ( -0.175 3.313 0.281) 3.330 1.359 ( 0.572 0.040 0.330) 0.662 1.372 ( 1.707 3.810 -0.296) 4.186 1.404 ( 1.980 0.608 1.331) 2.462 1.548 ( -0.977 1.731 1.487) 2.482 1.586 ( -0.034 -0.390 -0.780) 0.873 1.685 ( 2.532 0.274 -1.226) 2.826 1.748 ( 1.579 -2.262 -0.301) 2.775 1.856 ( -0.647 0.713 -0.207) 0.985 1.895 ( 2.990 -1.095 -0.048) 3.185 1.932 ( 0.241 -5.240 1.113) 5.362 2.144 ( 0.027 -4.167 0.246) 4.174 2.401 ( 6.176 5.924 -0.413) 8.568 2.493 ( 5.285 0.721 0.405) 5.349 2.594 ( 0.593 -0.818 -0.373) 1.077 2.668 ( -0.681 -0.854 1.362) 1.746 2.691 ( 1.312 -0.949 -3.128) 3.522 2.820 ( -2.275 -3.418 -0.208) 4.111 3.013 ( -0.045 2.299 0.393) 2.332 3.106 ( 0.097 3.952 2.332) 4.590 3.205 ( -1.550 0.278 -2.211) 2.714 3.231 ( -0.482 8.337 -0.251) 8.355 3.337 ( 2.230 6.339 0.556) 6.743 3.490 ( 4.913 3.473 0.596) 6.046 3.547 ( 5.287 -0.383 0.004) 5.301 3.631 ( 5.343 -2.857 0.111) 6.060 3.667 ( 1.256 -2.894 -0.303) 3.169 3.802 ( 4.021 -1.271 -0.264) 4.225 3.874 ( -1.107 1.732 0.484) 2.112 3.915 ( -2.953 0.723 0.641) 3.107 3.947 ( -3.378 2.182 -0.617) 4.069 4.048 ( 0.718 -0.334 -1.057) 1.320 4.103 ( 1.811 4.431 0.418) 4.805 4.246 ( -1.653 1.317 1.889) 2.835 4.354 ( -4.037 -1.463 -4.117) 5.949 4.471 ( -6.396 -3.253 2.559) 7.618 5.886 ( -0.052 -0.666 -0.061) 0.671 5.902 ( -0.299 -1.475 -0.105) 1.509 6.005 ( -0.053 0.674 -0.146) 0.692 6.078 ( 0.244 -2.823 0.253) 2.844 ======================= Grid point 213 (94/98) ======================= q-point: ( 0.50 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -0.000 2.931 0.000) 2.931 0.960 ( 0.000 1.409 0.000) 1.409 1.023 ( -0.000 0.958 -0.000) 0.958 1.061 ( 0.000 -0.929 0.000) 0.929 1.146 ( -0.000 6.493 0.000) 6.493 1.183 ( 0.000 3.514 -0.000) 3.514 1.217 ( -0.000 3.918 0.000) 3.918 1.267 ( 0.000 7.275 0.000) 7.275 1.320 ( -0.000 4.117 -0.000) 4.117 1.371 ( -0.000 0.301 -0.000) 0.301 1.402 ( 0.000 4.109 -0.000) 4.109 1.415 ( -0.000 2.346 0.000) 2.346 1.532 ( -0.000 2.018 0.000) 2.018 1.584 ( -0.000 -3.787 -0.000) 3.787 1.713 ( -0.000 -2.536 0.000) 2.536 1.769 ( 0.000 -1.540 -0.000) 1.540 1.850 ( -0.000 1.471 0.000) 1.471 1.932 ( -0.000 -2.142 0.000) 2.142 1.933 ( 0.000 -6.234 -0.000) 6.234 2.145 ( -0.000 -4.710 0.000) 4.710 2.474 ( -0.000 6.446 -0.000) 6.446 2.568 ( -0.000 1.376 0.000) 1.376 2.596 ( -0.000 3.757 0.000) 3.757 2.641 ( 0.000 -3.275 -0.000) 3.275 2.698 ( 0.000 1.284 0.000) 1.284 2.792 ( -0.000 -2.829 0.000) 2.829 3.010 ( -0.000 3.683 0.000) 3.683 3.137 ( -0.000 -3.880 -0.000) 3.880 3.163 ( 0.000 9.362 0.000) 9.362 3.228 ( -0.000 11.213 0.000) 11.213 3.362 ( -0.000 10.023 0.000) 10.023 3.550 ( -0.000 2.718 0.000) 2.718 3.600 ( -0.000 4.909 -0.000) 4.909 3.673 ( -0.000 -2.806 0.000) 2.806 3.700 ( -0.000 -5.450 -0.000) 5.450 3.836 ( 0.000 0.499 0.000) 0.499 3.862 ( -0.000 3.647 0.000) 3.647 3.886 ( -0.000 0.447 -0.000) 0.447 3.895 ( 0.000 2.092 0.000) 2.092 4.058 ( 0.000 -1.523 -0.000) 1.523 4.137 ( -0.000 3.464 0.000) 3.464 4.190 ( -0.000 -2.126 0.000) 2.126 4.332 ( 0.000 3.624 -0.000) 3.624 4.409 ( -0.000 0.311 0.000) 0.311 5.886 ( -0.000 -0.935 0.000) 0.935 5.899 ( -0.000 -1.519 0.000) 1.519 6.004 ( -0.000 0.526 0.000) 0.526 6.081 ( 0.000 -3.058 -0.000) 3.058 ======================= Grid point 217 (95/98) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -0.000 -2.057 0.000) 2.057 0.865 ( -0.000 2.057 0.000) 2.057 0.978 ( 0.000 -2.167 0.000) 2.167 0.978 ( -0.000 2.167 0.000) 2.167 1.132 ( -0.000 -1.010 0.000) 1.010 1.132 ( 0.000 1.010 0.000) 1.010 1.242 ( 0.000 -1.445 0.000) 1.445 1.242 ( -0.000 1.445 0.000) 1.445 1.312 ( 0.000 -0.419 0.000) 0.419 1.312 ( 0.000 0.419 0.000) 0.419 1.347 ( 0.000 -3.532 0.000) 3.532 1.347 ( -0.000 3.532 0.000) 3.532 1.632 ( -0.000 -1.877 0.000) 1.877 1.632 ( 0.000 1.877 0.000) 1.877 1.720 ( 0.000 -2.812 0.000) 2.812 1.720 ( 0.000 2.812 0.000) 2.812 1.763 ( -0.000 -6.011 0.000) 6.011 1.763 ( 0.000 6.011 0.000) 6.011 2.020 ( 0.000 -6.851 0.000) 6.851 2.020 ( -0.000 6.851 0.000) 6.851 2.297 ( 0.000 -4.120 0.000) 4.120 2.297 ( 0.000 4.120 0.000) 4.120 2.421 ( -0.000 -0.835 0.000) 0.835 2.421 ( 0.000 0.835 0.000) 0.835 2.746 ( 0.000 -6.136 0.000) 6.136 2.746 ( -0.000 6.136 0.000) 6.136 3.084 ( 0.000 -4.289 0.000) 4.289 3.084 ( 0.000 4.289 0.000) 4.289 3.231 ( -0.000 -3.178 0.000) 3.178 3.231 ( -0.000 3.178 0.000) 3.178 3.307 ( -0.000 -1.709 0.000) 1.709 3.307 ( 0.000 1.709 0.000) 1.709 3.541 ( 0.000 -3.788 0.000) 3.788 3.541 ( -0.000 3.788 0.000) 3.788 3.643 ( 0.000 -4.424 0.000) 4.424 3.643 ( 0.000 4.424 0.000) 4.424 3.926 ( 0.000 -3.959 0.000) 3.959 3.926 ( 0.000 3.959 0.000) 3.959 4.081 ( -0.000 -1.086 0.000) 1.086 4.081 ( -0.000 1.086 0.000) 1.086 4.247 ( 0.000 -7.919 0.000) 7.919 4.247 ( -0.000 7.919 -0.000) 7.919 4.326 ( 0.000 -3.702 0.000) 3.702 4.326 ( -0.000 3.702 0.000) 3.702 5.896 ( -0.000 -0.459 0.000) 0.459 5.896 ( 0.000 0.459 0.000) 0.459 6.033 ( -0.000 -1.280 0.000) 1.280 6.033 ( 0.000 1.280 0.000) 1.280 ======================= Grid point 221 (96/98) ======================= q-point: ( 0.17 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 1.879 -0.424 0.730) 2.060 0.883 ( 1.879 0.424 0.730) 2.060 1.007 ( 2.232 -2.362 -0.472) 3.283 1.007 ( 2.232 2.362 -0.472) 3.283 1.151 ( 1.795 -0.638 0.514) 1.973 1.151 ( 1.795 0.638 0.514) 1.973 1.253 ( 1.617 -0.609 -0.489) 1.796 1.253 ( 1.617 0.609 -0.489) 1.796 1.325 ( 1.364 -0.755 -0.239) 1.577 1.325 ( 1.364 0.755 -0.239) 1.577 1.383 ( 2.801 -2.827 0.970) 4.097 1.383 ( 2.801 2.827 0.970) 4.097 1.604 ( -2.284 -1.349 -0.531) 2.706 1.604 ( -2.284 1.349 -0.531) 2.706 1.716 ( -0.565 -4.274 -0.191) 4.315 1.716 ( -0.565 4.274 -0.191) 4.315 1.790 ( 2.037 -4.712 1.060) 5.242 1.790 ( 2.037 4.712 1.060) 5.242 2.019 ( -0.174 -7.208 -0.069) 7.211 2.019 ( -0.174 7.208 -0.069) 7.211 2.387 ( 8.467 -3.836 -0.235) 9.299 2.387 ( 8.467 3.836 -0.235) 9.299 2.495 ( 6.562 -3.496 -0.143) 7.436 2.495 ( 6.562 3.496 -0.143) 7.436 2.742 ( 0.111 -5.839 -1.273) 5.977 2.742 ( 0.111 5.839 -1.273) 5.977 3.075 ( -0.795 -4.350 1.186) 4.579 3.075 ( -0.795 4.350 1.186) 4.579 3.245 ( 1.900 -2.622 -0.661) 3.305 3.245 ( 1.900 2.622 -0.661) 3.305 3.334 ( 2.923 -3.091 -0.028) 4.254 3.334 ( 2.923 3.091 -0.028) 4.254 3.550 ( 0.781 -5.168 0.638) 5.266 3.550 ( 0.781 5.168 0.638) 5.266 3.660 ( 2.349 -4.951 -0.240) 5.485 3.660 ( 2.349 4.951 -0.240) 5.485 3.924 ( -0.478 -3.034 0.107) 3.073 3.924 ( -0.478 3.034 0.107) 3.073 4.051 ( -2.629 -2.374 0.045) 3.542 4.051 ( -2.629 2.374 0.045) 3.542 4.245 ( -0.349 -8.464 -0.654) 8.496 4.245 ( -0.349 8.464 -0.654) 8.496 4.357 ( 2.300 -6.471 0.491) 6.885 4.357 ( 2.300 6.471 0.491) 6.885 5.891 ( -0.417 -0.456 -0.094) 0.625 5.891 ( -0.417 0.456 -0.094) 0.625 6.032 ( -0.132 -1.484 0.076) 1.492 6.032 ( -0.132 1.484 0.076) 1.492 ======================= Grid point 223 (97/98) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 2.411 -1.719 0.630) 3.028 0.935 ( 2.411 1.719 0.630) 3.028 1.029 ( 0.744 -0.841 -0.332) 1.171 1.029 ( 0.744 0.841 -0.332) 1.171 1.194 ( 2.187 -1.488 0.372) 2.671 1.194 ( 2.187 1.488 0.372) 2.671 1.297 ( 2.374 -3.773 -0.580) 4.496 1.297 ( 2.374 3.773 -0.580) 4.496 1.344 ( 0.983 -1.568 -0.634) 1.956 1.344 ( 0.983 1.568 -0.634) 1.956 1.436 ( 1.691 -0.898 1.577) 2.481 1.436 ( 1.691 0.898 1.577) 2.481 1.566 ( -0.961 -2.270 -0.520) 2.519 1.566 ( -0.961 2.270 -0.520) 2.519 1.694 ( -1.487 -2.548 -0.038) 2.951 1.694 ( -1.487 2.548 -0.038) 2.951 1.830 ( 1.131 -2.200 0.737) 2.581 1.830 ( 1.131 2.200 0.737) 2.581 2.014 ( -0.076 -7.399 -0.154) 7.401 2.014 ( -0.076 7.399 -0.154) 7.401 2.530 ( 5.404 -4.769 -0.391) 7.217 2.530 ( 5.404 4.769 -0.391) 7.217 2.599 ( 3.670 -5.201 0.099) 6.366 2.599 ( 3.670 5.201 0.099) 6.366 2.738 ( 0.292 -4.079 -1.026) 4.216 2.738 ( 0.292 4.079 -1.026) 4.216 3.072 ( -0.495 -3.740 0.688) 3.835 3.072 ( -0.495 3.740 0.688) 3.835 3.314 ( 5.785 -6.745 -0.284) 8.891 3.314 ( 5.785 6.745 -0.284) 8.891 3.417 ( 5.435 -8.866 0.088) 10.400 3.417 ( 5.435 8.866 0.088) 10.400 3.575 ( 1.297 -5.710 0.192) 5.858 3.575 ( 1.297 5.710 0.192) 5.858 3.725 ( 4.077 -6.039 -0.005) 7.287 3.725 ( 4.077 6.039 -0.005) 7.287 3.908 ( -1.150 -1.164 0.290) 1.662 3.908 ( -1.150 1.164 0.290) 1.662 4.003 ( -2.209 -2.921 -0.134) 3.665 4.003 ( -2.209 2.921 -0.134) 3.665 4.213 ( -2.540 -4.479 -0.583) 5.182 4.213 ( -2.540 4.479 -0.583) 5.182 4.391 ( 0.750 -4.121 0.422) 4.210 4.391 ( 0.750 4.121 0.422) 4.210 5.882 ( -0.360 -0.402 -0.070) 0.544 5.882 ( -0.360 0.402 -0.070) 0.544 6.030 ( -0.121 -1.810 0.053) 1.815 6.030 ( -0.121 1.810 0.053) 1.815 ======================= Grid point 225 (98/98) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 0.000 -1.541 0.000) 1.541 0.959 ( 0.000 1.541 0.000) 1.541 1.039 ( -0.000 -0.907 0.000) 0.907 1.039 ( -0.000 0.907 0.000) 0.907 1.227 ( 0.000 -0.452 -0.000) 0.452 1.227 ( -0.000 0.452 0.000) 0.452 1.292 ( -0.000 -6.149 0.000) 6.149 1.292 ( 0.000 6.149 -0.000) 6.149 1.367 ( -0.000 -0.469 -0.000) 0.469 1.367 ( -0.000 0.469 0.000) 0.469 1.461 ( 0.000 -0.914 -0.000) 0.914 1.461 ( -0.000 0.914 0.000) 0.914 1.556 ( 0.000 -0.033 0.000) 0.033 1.556 ( -0.000 0.033 -0.000) 0.033 1.676 ( -0.000 -1.993 -0.000) 1.993 1.676 ( -0.000 1.993 0.000) 1.993 1.840 ( -0.000 -1.324 0.000) 1.324 1.840 ( -0.000 1.324 0.000) 1.324 2.015 ( -0.000 -7.032 0.000) 7.032 2.015 ( -0.000 7.032 0.000) 7.032 2.574 ( -0.000 -2.432 0.000) 2.432 2.574 ( -0.000 2.432 -0.000) 2.432 2.631 ( -0.000 -0.966 -0.000) 0.966 2.631 ( -0.000 0.966 0.000) 0.966 2.738 ( -0.000 -2.322 0.000) 2.322 2.738 ( -0.000 2.322 0.000) 2.322 3.067 ( -0.000 -2.907 -0.000) 2.907 3.067 ( -0.000 2.907 0.000) 2.907 3.389 ( -0.000 -9.654 0.000) 9.654 3.389 ( -0.000 9.654 0.000) 9.654 3.482 ( -0.000 -11.338 0.000) 11.338 3.482 ( -0.000 11.338 0.000) 11.338 3.587 ( -0.000 -4.673 -0.000) 4.673 3.587 ( -0.000 4.673 0.000) 4.673 3.772 ( -0.000 -6.205 0.000) 6.205 3.772 ( -0.000 6.205 -0.000) 6.205 3.898 ( -0.000 -0.093 0.000) 0.093 3.898 ( 0.000 0.093 -0.000) 0.093 3.978 ( 0.000 -5.197 0.000) 5.197 3.978 ( 0.000 5.197 0.000) 5.197 4.176 ( 0.000 -0.350 0.000) 0.350 4.176 ( -0.000 0.350 0.000) 0.350 4.396 ( 0.000 -1.987 0.000) 1.987 4.396 ( -0.000 1.987 -0.000) 1.987 5.879 ( -0.000 -0.348 0.000) 0.348 5.879 ( -0.000 0.348 0.000) 0.348 6.029 ( 0.000 -1.947 0.000) 1.947 6.029 ( -0.000 1.947 0.000) 1.947 =================== 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 3/13824 10.0 28.473 37.056 15.064 0.000 1.627 0.000 3/13824 20.0 8.926 13.143 4.125 0.000 0.274 0.000 3/13824 30.0 4.740 7.603 2.170 0.000 0.118 0.000 3/13824 40.0 3.159 5.381 1.440 0.000 0.073 0.000 3/13824 50.0 2.374 4.214 1.076 0.000 0.054 0.000 3/13824 60.0 1.912 3.491 0.862 0.000 0.042 0.000 3/13824 70.0 1.607 2.994 0.721 0.000 0.035 0.000 3/13824 80.0 1.391 2.627 0.621 0.000 0.030 0.000 3/13824 90.0 1.228 2.344 0.547 0.000 0.026 0.000 3/13824 100.0 1.100 2.117 0.489 0.000 0.023 0.000 3/13824 110.0 0.998 1.931 0.442 0.000 0.021 0.000 3/13824 120.0 0.913 1.776 0.404 0.000 0.019 0.000 3/13824 130.0 0.842 1.644 0.372 0.000 0.017 0.000 3/13824 140.0 0.781 1.530 0.345 0.000 0.016 0.000 3/13824 150.0 0.729 1.431 0.322 0.000 0.015 0.000 3/13824 160.0 0.683 1.344 0.301 0.000 0.014 0.000 3/13824 170.0 0.643 1.267 0.283 0.000 0.013 0.000 3/13824 180.0 0.607 1.199 0.267 0.000 0.012 0.000 3/13824 190.0 0.575 1.137 0.253 0.000 0.012 0.000 3/13824 200.0 0.546 1.082 0.240 0.000 0.011 0.000 3/13824 210.0 0.520 1.031 0.229 0.000 0.011 0.000 3/13824 220.0 0.497 0.985 0.218 0.000 0.010 0.000 3/13824 230.0 0.475 0.943 0.209 0.000 0.010 0.000 3/13824 240.0 0.455 0.905 0.200 0.000 0.009 0.000 3/13824 250.0 0.437 0.869 0.192 0.000 0.009 0.000 3/13824 260.0 0.420 0.836 0.185 0.000 0.009 0.000 3/13824 270.0 0.405 0.806 0.178 0.000 0.008 0.000 3/13824 280.0 0.390 0.778 0.172 0.000 0.008 0.000 3/13824 290.0 0.377 0.751 0.166 0.000 0.008 0.000 3/13824 300.0 0.364 0.727 0.160 0.000 0.007 0.000 3/13824 310.0 0.353 0.703 0.155 0.000 0.007 0.000 3/13824 320.0 0.342 0.682 0.150 0.000 0.007 0.000 3/13824 330.0 0.331 0.661 0.146 0.000 0.007 0.000 3/13824 340.0 0.322 0.642 0.141 0.000 0.006 0.000 3/13824 350.0 0.312 0.624 0.137 0.000 0.006 0.000 3/13824 360.0 0.304 0.607 0.133 0.000 0.006 0.000 3/13824 370.0 0.296 0.591 0.130 0.000 0.006 0.000 3/13824 380.0 0.288 0.575 0.126 0.000 0.006 0.000 3/13824 390.0 0.281 0.561 0.123 0.000 0.006 0.000 3/13824 400.0 0.274 0.547 0.120 0.000 0.006 0.000 3/13824 410.0 0.267 0.534 0.117 0.000 0.005 0.000 3/13824 420.0 0.261 0.521 0.114 0.000 0.005 0.000 3/13824 430.0 0.254 0.509 0.112 0.000 0.005 0.000 3/13824 440.0 0.249 0.498 0.109 0.000 0.005 0.000 3/13824 450.0 0.243 0.487 0.107 0.000 0.005 0.000 3/13824 460.0 0.238 0.476 0.105 0.000 0.005 0.000 3/13824 470.0 0.233 0.466 0.102 0.000 0.005 0.000 3/13824 480.0 0.228 0.457 0.100 0.000 0.005 0.000 3/13824 490.0 0.223 0.447 0.098 0.000 0.005 0.000 3/13824 500.0 0.219 0.438 0.096 0.000 0.004 0.000 3/13824 510.0 0.215 0.430 0.094 0.000 0.004 0.000 3/13824 520.0 0.211 0.422 0.092 0.000 0.004 0.000 3/13824 530.0 0.207 0.414 0.091 0.000 0.004 0.000 3/13824 540.0 0.203 0.406 0.089 0.000 0.004 0.000 3/13824 550.0 0.199 0.399 0.087 0.000 0.004 0.000 3/13824 560.0 0.196 0.392 0.086 0.000 0.004 0.000 3/13824 570.0 0.192 0.385 0.084 0.000 0.004 0.000 3/13824 580.0 0.189 0.378 0.083 0.000 0.004 0.000 3/13824 590.0 0.186 0.372 0.082 0.000 0.004 0.000 3/13824 600.0 0.183 0.366 0.080 0.000 0.004 0.000 3/13824 610.0 0.180 0.360 0.079 0.000 0.004 0.000 3/13824 620.0 0.177 0.354 0.078 0.000 0.004 0.000 3/13824 630.0 0.174 0.349 0.076 0.000 0.004 0.000 3/13824 640.0 0.171 0.343 0.075 0.000 0.003 0.000 3/13824 650.0 0.169 0.338 0.074 0.000 0.003 0.000 3/13824 660.0 0.166 0.333 0.073 0.000 0.003 0.000 3/13824 670.0 0.164 0.328 0.072 0.000 0.003 0.000 3/13824 680.0 0.161 0.323 0.071 0.000 0.003 0.000 3/13824 690.0 0.159 0.318 0.070 0.000 0.003 0.000 3/13824 700.0 0.157 0.314 0.069 0.000 0.003 0.000 3/13824 710.0 0.154 0.310 0.068 0.000 0.003 0.000 3/13824 720.0 0.152 0.305 0.067 0.000 0.003 0.000 3/13824 730.0 0.150 0.301 0.066 0.000 0.003 0.000 3/13824 740.0 0.148 0.297 0.065 0.000 0.003 0.000 3/13824 750.0 0.146 0.293 0.064 0.000 0.003 0.000 3/13824 760.0 0.144 0.289 0.063 0.000 0.003 0.000 3/13824 770.0 0.142 0.286 0.063 0.000 0.003 0.000 3/13824 780.0 0.140 0.282 0.062 0.000 0.003 0.000 3/13824 790.0 0.139 0.278 0.061 0.000 0.003 0.000 3/13824 800.0 0.137 0.275 0.060 0.000 0.003 0.000 3/13824 810.0 0.135 0.272 0.059 0.000 0.003 0.000 3/13824 820.0 0.134 0.268 0.059 0.000 0.003 0.000 3/13824 830.0 0.132 0.265 0.058 0.000 0.003 0.000 3/13824 840.0 0.130 0.262 0.057 0.000 0.003 0.000 3/13824 850.0 0.129 0.259 0.057 0.000 0.003 0.000 3/13824 860.0 0.127 0.256 0.056 0.000 0.003 0.000 3/13824 870.0 0.126 0.253 0.055 0.000 0.003 0.000 3/13824 880.0 0.125 0.250 0.055 0.000 0.003 0.000 3/13824 890.0 0.123 0.247 0.054 0.000 0.002 0.000 3/13824 900.0 0.122 0.244 0.054 0.000 0.002 0.000 3/13824 910.0 0.120 0.242 0.053 0.000 0.002 0.000 3/13824 920.0 0.119 0.239 0.052 0.000 0.002 0.000 3/13824 930.0 0.118 0.237 0.052 0.000 0.002 0.000 3/13824 940.0 0.117 0.234 0.051 0.000 0.002 0.000 3/13824 950.0 0.115 0.232 0.051 0.000 0.002 0.000 3/13824 960.0 0.114 0.229 0.050 0.000 0.002 0.000 3/13824 970.0 0.113 0.227 0.050 0.000 0.002 0.000 3/13824 980.0 0.112 0.225 0.049 0.000 0.002 0.000 3/13824 990.0 0.111 0.222 0.049 0.000 0.002 0.000 3/13824 1000.0 0.110 0.220 0.048 0.000 0.002 0.000 3/13824 Thermal conductivity related properties were written into "kappa-m6124.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:39:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|