----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:42:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.235164662476935 0.000000000000000 0.000000000000000 b 0.000000000000000 6.371787149999999 0.000000000000000 c -6.446861967358958 0.000000000000000 10.500245932301366 Atomic positions (fractional): *1 P 0.30387526887443 0.77044842851642 0.03574434148326 30.974 2 P 0.69612473112558 0.27044842851642 0.46425565851674 30.974 3 P 0.69612473112558 0.22955157148358 0.96425565851674 30.974 4 P 0.30387526887443 0.72955157148358 0.53574434148326 30.974 *5 S 0.58590768144771 0.76816753593378 0.58974174667519 32.065 6 S 0.41409231855229 0.26816753593378 0.91025825332481 32.065 7 S 0.41409231855229 0.23183246406622 0.41025825332481 32.065 8 S 0.58590768144771 0.73183246406622 0.08974174667519 32.065 *9 S 0.13579814396844 0.74819998518861 0.34618007312096 32.065 10 S 0.86420185603156 0.24819998518861 0.15381992687904 32.065 11 S 0.86420185603156 0.25180001481139 0.65381992687904 32.065 12 S 0.13579814396844 0.75180001481139 0.84618007312096 32.065 *13 S 0.26968247672348 0.45603979074186 0.61116283155243 32.065 14 S 0.73031752327652 0.95603979074186 0.88883716844757 32.065 15 S 0.73031752327652 0.54396020925814 0.38883716844757 32.065 16 S 0.26968247672348 0.04396020925814 0.11116283155243 32.065 *17 S 0.25117990724912 0.95202868299994 0.63447358619299 32.065 18 S 0.74882009275088 0.45202868299993 0.86552641380701 32.065 19 S 0.74882009275088 0.04797131700007 0.36552641380701 32.065 20 S 0.25117990724912 0.54797131700006 0.13447358619299 32.065 *21 Lu 0.44269684464911 0.67806588185554 0.83456008884969 174.967 22 Lu 0.55730315535089 0.17806588185554 0.66543991115031 174.967 23 Lu 0.55730315535089 0.32193411814446 0.16543991115031 174.967 24 Lu 0.44269684464911 0.82193411814446 0.33456008884969 174.967 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.235164662476935 0.000000000000000 0.000000000000000 b 0.000000000000000 6.371787149999999 0.000000000000000 c -6.446861967358958 0.000000000000000 10.500245932301366 Atomic positions (fractional): *1 P 0.30387526887443 0.77044842851642 0.03574434148326 30.974 > 1 2 P 0.69612473112558 0.27044842851642 0.46425565851674 30.974 > 2 3 P 0.69612473112558 0.22955157148358 0.96425565851674 30.974 > 3 4 P 0.30387526887443 0.72955157148358 0.53574434148326 30.974 > 4 *5 S 0.58590768144771 0.76816753593378 0.58974174667519 32.065 > 5 6 S 0.41409231855229 0.26816753593378 0.91025825332481 32.065 > 6 7 S 0.41409231855229 0.23183246406622 0.41025825332481 32.065 > 7 8 S 0.58590768144771 0.73183246406622 0.08974174667519 32.065 > 8 *9 S 0.13579814396844 0.74819998518861 0.34618007312096 32.065 > 9 10 S 0.86420185603156 0.24819998518861 0.15381992687904 32.065 > 10 11 S 0.86420185603156 0.25180001481139 0.65381992687904 32.065 > 11 12 S 0.13579814396844 0.75180001481139 0.84618007312096 32.065 > 12 *13 S 0.26968247672348 0.45603979074186 0.61116283155243 32.065 > 13 14 S 0.73031752327652 0.95603979074186 0.88883716844757 32.065 > 14 15 S 0.73031752327652 0.54396020925814 0.38883716844757 32.065 > 15 16 S 0.26968247672348 0.04396020925814 0.11116283155243 32.065 > 16 *17 S 0.25117990724912 0.95202868299994 0.63447358619299 32.065 > 17 18 S 0.74882009275088 0.45202868299993 0.86552641380701 32.065 > 18 19 S 0.74882009275088 0.04797131700007 0.36552641380701 32.065 > 19 20 S 0.25117990724912 0.54797131700006 0.13447358619299 32.065 > 20 *21 Lu 0.44269684464911 0.67806588185554 0.83456008884969 174.967 > 21 22 Lu 0.55730315535089 0.17806588185554 0.66543991115031 174.967 > 22 23 Lu 0.55730315535089 0.32193411814446 0.16543991115031 174.967 > 23 24 Lu 0.44269684464911 0.82193411814446 0.33456008884969 174.967 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.470329324953870 0.000000000000000 0.000000000000000 b 0.000000000000000 12.743574299999999 0.000000000000000 c -6.446861967358958 0.000000000000000 10.500245932301366 Atomic positions (fractional): *1 P 0.15193763443721 0.38522421425821 0.03574434148326 30.974 > 1 2 P 0.65193763443721 0.38522421425821 0.03574434148326 30.974 > 1 3 P 0.15193763443721 0.88522421425821 0.03574434148326 30.974 > 1 4 P 0.65193763443721 0.88522421425821 0.03574434148326 30.974 > 1 5 P 0.34806236556279 0.13522421425821 0.46425565851674 30.974 > 2 6 P 0.84806236556279 0.13522421425821 0.46425565851674 30.974 > 2 7 P 0.34806236556279 0.63522421425821 0.46425565851674 30.974 > 2 8 P 0.84806236556279 0.63522421425821 0.46425565851674 30.974 > 2 9 P 0.34806236556279 0.11477578574179 0.96425565851674 30.974 > 3 10 P 0.84806236556279 0.11477578574179 0.96425565851674 30.974 > 3 11 P 0.34806236556279 0.61477578574179 0.96425565851674 30.974 > 3 12 P 0.84806236556279 0.61477578574179 0.96425565851674 30.974 > 3 13 P 0.15193763443721 0.36477578574179 0.53574434148326 30.974 > 4 14 P 0.65193763443721 0.36477578574179 0.53574434148326 30.974 > 4 15 P 0.15193763443721 0.86477578574179 0.53574434148326 30.974 > 4 16 P 0.65193763443721 0.86477578574179 0.53574434148326 30.974 > 4 *17 S 0.29295384072385 0.38408376796689 0.58974174667519 32.065 > 5 18 S 0.79295384072385 0.38408376796689 0.58974174667519 32.065 > 5 19 S 0.29295384072385 0.88408376796689 0.58974174667519 32.065 > 5 20 S 0.79295384072385 0.88408376796689 0.58974174667519 32.065 > 5 21 S 0.20704615927615 0.13408376796689 0.91025825332481 32.065 > 6 22 S 0.70704615927615 0.13408376796689 0.91025825332481 32.065 > 6 23 S 0.20704615927615 0.63408376796689 0.91025825332481 32.065 > 6 24 S 0.70704615927615 0.63408376796689 0.91025825332481 32.065 > 6 25 S 0.20704615927615 0.11591623203311 0.41025825332481 32.065 > 7 26 S 0.70704615927615 0.11591623203311 0.41025825332481 32.065 > 7 27 S 0.20704615927615 0.61591623203311 0.41025825332481 32.065 > 7 28 S 0.70704615927615 0.61591623203311 0.41025825332481 32.065 > 7 29 S 0.29295384072385 0.36591623203311 0.08974174667519 32.065 > 8 30 S 0.79295384072385 0.36591623203311 0.08974174667519 32.065 > 8 31 S 0.29295384072385 0.86591623203311 0.08974174667519 32.065 > 8 32 S 0.79295384072385 0.86591623203311 0.08974174667519 32.065 > 8 *33 S 0.06789907198422 0.37409999259430 0.34618007312096 32.065 > 9 34 S 0.56789907198422 0.37409999259430 0.34618007312096 32.065 > 9 35 S 0.06789907198422 0.87409999259430 0.34618007312096 32.065 > 9 36 S 0.56789907198422 0.87409999259430 0.34618007312096 32.065 > 9 37 S 0.43210092801578 0.12409999259430 0.15381992687904 32.065 > 10 38 S 0.93210092801578 0.12409999259430 0.15381992687904 32.065 > 10 39 S 0.43210092801578 0.62409999259430 0.15381992687904 32.065 > 10 40 S 0.93210092801578 0.62409999259430 0.15381992687904 32.065 > 10 41 S 0.43210092801578 0.12590000740570 0.65381992687904 32.065 > 11 42 S 0.93210092801578 0.12590000740570 0.65381992687904 32.065 > 11 43 S 0.43210092801578 0.62590000740570 0.65381992687904 32.065 > 11 44 S 0.93210092801578 0.62590000740570 0.65381992687904 32.065 > 11 45 S 0.06789907198422 0.37590000740570 0.84618007312096 32.065 > 12 46 S 0.56789907198422 0.37590000740570 0.84618007312096 32.065 > 12 47 S 0.06789907198422 0.87590000740570 0.84618007312096 32.065 > 12 48 S 0.56789907198422 0.87590000740570 0.84618007312096 32.065 > 12 *49 S 0.13484123836174 0.22801989537093 0.61116283155243 32.065 > 13 50 S 0.63484123836174 0.22801989537093 0.61116283155243 32.065 > 13 51 S 0.13484123836174 0.72801989537093 0.61116283155243 32.065 > 13 52 S 0.63484123836174 0.72801989537093 0.61116283155243 32.065 > 13 53 S 0.36515876163826 0.47801989537093 0.88883716844757 32.065 > 14 54 S 0.86515876163826 0.47801989537093 0.88883716844757 32.065 > 14 55 S 0.36515876163826 0.97801989537093 0.88883716844757 32.065 > 14 56 S 0.86515876163826 0.97801989537093 0.88883716844757 32.065 > 14 57 S 0.36515876163826 0.27198010462907 0.38883716844757 32.065 > 15 58 S 0.86515876163826 0.27198010462907 0.38883716844757 32.065 > 15 59 S 0.36515876163826 0.77198010462907 0.38883716844757 32.065 > 15 60 S 0.86515876163826 0.77198010462907 0.38883716844757 32.065 > 15 61 S 0.13484123836174 0.02198010462907 0.11116283155243 32.065 > 16 62 S 0.63484123836174 0.02198010462907 0.11116283155243 32.065 > 16 63 S 0.13484123836174 0.52198010462907 0.11116283155243 32.065 > 16 64 S 0.63484123836174 0.52198010462907 0.11116283155243 32.065 > 16 *65 S 0.12558995362456 0.47601434149997 0.63447358619299 32.065 > 17 66 S 0.62558995362456 0.47601434149997 0.63447358619299 32.065 > 17 67 S 0.12558995362456 0.97601434149997 0.63447358619299 32.065 > 17 68 S 0.62558995362456 0.97601434149997 0.63447358619299 32.065 > 17 69 S 0.37441004637544 0.22601434149997 0.86552641380701 32.065 > 18 70 S 0.87441004637544 0.22601434149997 0.86552641380701 32.065 > 18 71 S 0.37441004637544 0.72601434149997 0.86552641380701 32.065 > 18 72 S 0.87441004637544 0.72601434149997 0.86552641380701 32.065 > 18 73 S 0.37441004637544 0.02398565850003 0.36552641380701 32.065 > 19 74 S 0.87441004637544 0.02398565850003 0.36552641380701 32.065 > 19 75 S 0.37441004637544 0.52398565850003 0.36552641380701 32.065 > 19 76 S 0.87441004637544 0.52398565850003 0.36552641380701 32.065 > 19 77 S 0.12558995362456 0.27398565850003 0.13447358619299 32.065 > 20 78 S 0.62558995362456 0.27398565850003 0.13447358619299 32.065 > 20 79 S 0.12558995362456 0.77398565850003 0.13447358619299 32.065 > 20 80 S 0.62558995362456 0.77398565850003 0.13447358619299 32.065 > 20 *81 Lu 0.22134842232455 0.33903294092777 0.83456008884969 174.967 > 21 82 Lu 0.72134842232455 0.33903294092777 0.83456008884969 174.967 > 21 83 Lu 0.22134842232455 0.83903294092777 0.83456008884969 174.967 > 21 84 Lu 0.72134842232455 0.83903294092777 0.83456008884969 174.967 > 21 85 Lu 0.27865157767545 0.08903294092777 0.66543991115031 174.967 > 22 86 Lu 0.77865157767545 0.08903294092777 0.66543991115031 174.967 > 22 87 Lu 0.27865157767545 0.58903294092777 0.66543991115031 174.967 > 22 88 Lu 0.77865157767545 0.58903294092777 0.66543991115031 174.967 > 22 89 Lu 0.27865157767545 0.16096705907223 0.16543991115031 174.967 > 23 90 Lu 0.77865157767545 0.16096705907223 0.16543991115031 174.967 > 23 91 Lu 0.27865157767545 0.66096705907223 0.16543991115031 174.967 > 23 92 Lu 0.77865157767545 0.66096705907223 0.16543991115031 174.967 > 23 93 Lu 0.22134842232455 0.41096705907223 0.33456008884969 174.967 > 24 94 Lu 0.72134842232455 0.41096705907223 0.33456008884969 174.967 > 24 95 Lu 0.22134842232455 0.91096705907223 0.33456008884969 174.967 > 24 96 Lu 0.72134842232455 0.91096705907223 0.33456008884969 174.967 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6536609 0.0000000 -0.7804300 0.0000000 5.8534087 0.0000000 -0.7804739 0.0000000 5.6668716 -------------------------- Born effective charges -------------------------- 1 P 1.6472452 -0.1271269 -0.5790723 -0.3437692 2.4712865 0.0541444 -0.8253301 0.1297545 3.1407023 2 P 1.6472452 0.1271269 -0.5790723 0.3437692 2.4712865 -0.0541444 -0.8253301 -0.1297545 3.1407023 3 P 1.6472452 -0.1271269 -0.5790723 -0.3437692 2.4712865 0.0541444 -0.8253301 0.1297545 3.1407023 4 P 1.6472452 0.1271269 -0.5790723 0.3437692 2.4712865 -0.0541444 -0.8253301 -0.1297545 3.1407023 5 S -1.3862257 -0.1732874 0.4755382 -0.2209752 -1.3263494 -0.1300779 0.5046529 -0.1576594 -1.6040597 6 S -1.3862257 0.1732874 0.4755382 0.2209752 -1.3263494 0.1300779 0.5046529 0.1576594 -1.6040597 7 S -1.3862257 -0.1732874 0.4755382 -0.2209752 -1.3263494 -0.1300779 0.5046529 -0.1576594 -1.6040597 8 S -1.3862257 0.1732874 0.4755382 0.2209752 -1.3263494 0.1300779 0.5046529 0.1576594 -1.6040597 9 S -1.2137517 -0.2131739 0.3410622 -0.2787909 -0.5898915 0.1256169 0.4700593 0.2483379 -2.1525622 10 S -1.2137517 0.2131739 0.3410622 0.2787909 -0.5898915 -0.1256169 0.4700593 -0.2483379 -2.1525622 11 S -1.2137517 -0.2131739 0.3410622 -0.2787909 -0.5898915 0.1256169 0.4700593 0.2483379 -2.1525622 12 S -1.2137517 0.2131739 0.3410622 0.2787909 -0.5898915 -0.1256169 0.4700593 -0.2483379 -2.1525622 13 S -0.7146653 0.0281028 0.4540540 0.1125471 -2.0922701 0.5411463 0.3217022 0.2704799 -1.4816789 14 S -0.7146653 -0.0281028 0.4540540 -0.1125471 -2.0922701 -0.5411463 0.3217022 -0.2704799 -1.4816789 15 S -0.7146653 0.0281028 0.4540540 0.1125471 -2.0922701 0.5411463 0.3217022 0.2704799 -1.4816789 16 S -0.7146653 -0.0281028 0.4540540 -0.1125471 -2.0922701 -0.5411463 0.3217022 -0.2704799 -1.4816789 17 S -0.8759499 -0.0286294 0.4814232 0.0140929 -1.9119313 -0.3403161 0.5063363 -0.1004472 -1.4402140 18 S -0.8759499 0.0286294 0.4814232 -0.0140929 -1.9119313 0.3403161 0.5063363 0.1004472 -1.4402140 19 S -0.8759499 -0.0286294 0.4814232 0.0140929 -1.9119313 -0.3403161 0.5063363 -0.1004472 -1.4402140 20 S -0.8759499 0.0286294 0.4814232 -0.0140929 -1.9119313 0.3403161 0.5063363 0.1004472 -1.4402140 21 Lu 2.5433474 -0.2444244 -1.1730053 0.0127124 3.4491558 -0.2592004 -0.9774206 -0.0665992 3.5378125 22 Lu 2.5433474 0.2444244 -1.1730053 -0.0127124 3.4491558 0.2592004 -0.9774206 0.0665992 3.5378125 23 Lu 2.5433474 -0.2444244 -1.1730053 0.0127124 3.4491558 -0.2592004 -0.9774206 -0.0665992 3.5378125 24 Lu 2.5433474 0.2444244 -1.1730053 -0.0127124 3.4491558 0.2592004 -0.9774206 0.0665992 3.5378125 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 22), data: (576, 34) @ (34, 22) |-- (76, 64), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 22), data: (576, 34) @ (34, 22) |-- (76, 64), data: True |-- (250, 240), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.717 Solver_block: 200 / 720 - Time: 0.653 Solver_block: 300 / 720 - Time: 0.647 Solver_block: 400 / 720 - Time: 0.644 Solver_block: 500 / 720 - Time: 0.655 Solver_block: 600 / 720 - Time: 0.646 Solver_block: 700 / 720 - Time: 0.648 Solver_block: 720 / 720 - Time: 0.221 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.936 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 22), data: (576, 34) @ (34, 22) |-- (76, 64), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 22), data: (576, 34) @ (34, 22) |-- (76, 64), data: True |-- (250, 240), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:43:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:43:20]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.235164662476935 0.000000000000000 0.000000000000000 b 0.000000000000000 6.371787149999999 0.000000000000000 c -6.446861967358958 0.000000000000000 10.500245932301366 Atomic positions (fractional): 1 P 0.30387526887443 0.77044842851642 0.03574434148326 30.974 2 P 0.69612473112558 0.27044842851642 0.46425565851674 30.974 3 P 0.69612473112558 0.22955157148358 0.96425565851674 30.974 4 P 0.30387526887443 0.72955157148358 0.53574434148326 30.974 5 S 0.58590768144771 0.76816753593378 0.58974174667519 32.065 6 S 0.41409231855229 0.26816753593378 0.91025825332481 32.065 7 S 0.41409231855229 0.23183246406622 0.41025825332481 32.065 8 S 0.58590768144771 0.73183246406622 0.08974174667519 32.065 9 S 0.13579814396844 0.74819998518861 0.34618007312096 32.065 10 S 0.86420185603156 0.24819998518861 0.15381992687904 32.065 11 S 0.86420185603156 0.25180001481139 0.65381992687904 32.065 12 S 0.13579814396844 0.75180001481139 0.84618007312096 32.065 13 S 0.26968247672348 0.45603979074186 0.61116283155243 32.065 14 S 0.73031752327652 0.95603979074186 0.88883716844757 32.065 15 S 0.73031752327652 0.54396020925814 0.38883716844757 32.065 16 S 0.26968247672348 0.04396020925814 0.11116283155243 32.065 17 S 0.25117990724912 0.95202868299994 0.63447358619299 32.065 18 S 0.74882009275088 0.45202868299993 0.86552641380701 32.065 19 S 0.74882009275088 0.04797131700007 0.36552641380701 32.065 20 S 0.25117990724912 0.54797131700006 0.13447358619299 32.065 21 Lu 0.44269684464911 0.67806588185554 0.83456008884969 174.967 22 Lu 0.55730315535089 0.17806588185554 0.66543991115031 174.967 23 Lu 0.55730315535089 0.32193411814446 0.16543991115031 174.967 24 Lu 0.44269684464911 0.82193411814446 0.33456008884969 174.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.470329324953870 0.000000000000000 0.000000000000000 b 0.000000000000000 12.743574299999999 0.000000000000000 c -6.446861967358958 0.000000000000000 10.500245932301366 Atomic positions (fractional): 1 P 0.15193763443721 0.38522421425821 0.03574434148326 30.974 > 1 2 P 0.65193763443721 0.38522421425821 0.03574434148326 30.974 > 1 3 P 0.15193763443721 0.88522421425821 0.03574434148326 30.974 > 1 4 P 0.65193763443721 0.88522421425821 0.03574434148326 30.974 > 1 5 P 0.34806236556279 0.13522421425821 0.46425565851674 30.974 > 5 6 P 0.84806236556279 0.13522421425821 0.46425565851674 30.974 > 5 7 P 0.34806236556279 0.63522421425821 0.46425565851674 30.974 > 5 8 P 0.84806236556279 0.63522421425821 0.46425565851674 30.974 > 5 9 P 0.34806236556279 0.11477578574179 0.96425565851674 30.974 > 9 10 P 0.84806236556279 0.11477578574179 0.96425565851674 30.974 > 9 11 P 0.34806236556279 0.61477578574179 0.96425565851674 30.974 > 9 12 P 0.84806236556279 0.61477578574179 0.96425565851674 30.974 > 9 13 P 0.15193763443721 0.36477578574179 0.53574434148326 30.974 > 13 14 P 0.65193763443721 0.36477578574179 0.53574434148326 30.974 > 13 15 P 0.15193763443721 0.86477578574179 0.53574434148326 30.974 > 13 16 P 0.65193763443721 0.86477578574179 0.53574434148326 30.974 > 13 17 S 0.29295384072385 0.38408376796689 0.58974174667519 32.065 > 17 18 S 0.79295384072385 0.38408376796689 0.58974174667519 32.065 > 17 19 S 0.29295384072385 0.88408376796689 0.58974174667519 32.065 > 17 20 S 0.79295384072385 0.88408376796689 0.58974174667519 32.065 > 17 21 S 0.20704615927615 0.13408376796689 0.91025825332481 32.065 > 21 22 S 0.70704615927615 0.13408376796689 0.91025825332481 32.065 > 21 23 S 0.20704615927615 0.63408376796689 0.91025825332481 32.065 > 21 24 S 0.70704615927615 0.63408376796689 0.91025825332481 32.065 > 21 25 S 0.20704615927615 0.11591623203311 0.41025825332481 32.065 > 25 26 S 0.70704615927615 0.11591623203311 0.41025825332481 32.065 > 25 27 S 0.20704615927615 0.61591623203311 0.41025825332481 32.065 > 25 28 S 0.70704615927615 0.61591623203311 0.41025825332481 32.065 > 25 29 S 0.29295384072385 0.36591623203311 0.08974174667519 32.065 > 29 30 S 0.79295384072385 0.36591623203311 0.08974174667519 32.065 > 29 31 S 0.29295384072385 0.86591623203311 0.08974174667519 32.065 > 29 32 S 0.79295384072385 0.86591623203311 0.08974174667519 32.065 > 29 33 S 0.06789907198422 0.37409999259430 0.34618007312096 32.065 > 33 34 S 0.56789907198422 0.37409999259430 0.34618007312096 32.065 > 33 35 S 0.06789907198422 0.87409999259430 0.34618007312096 32.065 > 33 36 S 0.56789907198422 0.87409999259430 0.34618007312096 32.065 > 33 37 S 0.43210092801578 0.12409999259430 0.15381992687904 32.065 > 37 38 S 0.93210092801578 0.12409999259430 0.15381992687904 32.065 > 37 39 S 0.43210092801578 0.62409999259430 0.15381992687904 32.065 > 37 40 S 0.93210092801578 0.62409999259430 0.15381992687904 32.065 > 37 41 S 0.43210092801578 0.12590000740570 0.65381992687904 32.065 > 41 42 S 0.93210092801578 0.12590000740570 0.65381992687904 32.065 > 41 43 S 0.43210092801578 0.62590000740570 0.65381992687904 32.065 > 41 44 S 0.93210092801578 0.62590000740570 0.65381992687904 32.065 > 41 45 S 0.06789907198422 0.37590000740570 0.84618007312096 32.065 > 45 46 S 0.56789907198422 0.37590000740570 0.84618007312096 32.065 > 45 47 S 0.06789907198422 0.87590000740570 0.84618007312096 32.065 > 45 48 S 0.56789907198422 0.87590000740570 0.84618007312096 32.065 > 45 49 S 0.13484123836174 0.22801989537093 0.61116283155243 32.065 > 49 50 S 0.63484123836174 0.22801989537093 0.61116283155243 32.065 > 49 51 S 0.13484123836174 0.72801989537093 0.61116283155243 32.065 > 49 52 S 0.63484123836174 0.72801989537093 0.61116283155243 32.065 > 49 53 S 0.36515876163826 0.47801989537093 0.88883716844757 32.065 > 53 54 S 0.86515876163826 0.47801989537093 0.88883716844757 32.065 > 53 55 S 0.36515876163826 0.97801989537093 0.88883716844757 32.065 > 53 56 S 0.86515876163826 0.97801989537093 0.88883716844757 32.065 > 53 57 S 0.36515876163826 0.27198010462907 0.38883716844757 32.065 > 57 58 S 0.86515876163826 0.27198010462907 0.38883716844757 32.065 > 57 59 S 0.36515876163826 0.77198010462907 0.38883716844757 32.065 > 57 60 S 0.86515876163826 0.77198010462907 0.38883716844757 32.065 > 57 61 S 0.13484123836174 0.02198010462907 0.11116283155243 32.065 > 61 62 S 0.63484123836174 0.02198010462907 0.11116283155243 32.065 > 61 63 S 0.13484123836174 0.52198010462907 0.11116283155243 32.065 > 61 64 S 0.63484123836174 0.52198010462907 0.11116283155243 32.065 > 61 65 S 0.12558995362456 0.47601434149997 0.63447358619299 32.065 > 65 66 S 0.62558995362456 0.47601434149997 0.63447358619299 32.065 > 65 67 S 0.12558995362456 0.97601434149997 0.63447358619299 32.065 > 65 68 S 0.62558995362456 0.97601434149997 0.63447358619299 32.065 > 65 69 S 0.37441004637544 0.22601434149997 0.86552641380701 32.065 > 69 70 S 0.87441004637544 0.22601434149997 0.86552641380701 32.065 > 69 71 S 0.37441004637544 0.72601434149997 0.86552641380701 32.065 > 69 72 S 0.87441004637544 0.72601434149997 0.86552641380701 32.065 > 69 73 S 0.37441004637544 0.02398565850003 0.36552641380701 32.065 > 73 74 S 0.87441004637544 0.02398565850003 0.36552641380701 32.065 > 73 75 S 0.37441004637544 0.52398565850003 0.36552641380701 32.065 > 73 76 S 0.87441004637544 0.52398565850003 0.36552641380701 32.065 > 73 77 S 0.12558995362456 0.27398565850003 0.13447358619299 32.065 > 77 78 S 0.62558995362456 0.27398565850003 0.13447358619299 32.065 > 77 79 S 0.12558995362456 0.77398565850003 0.13447358619299 32.065 > 77 80 S 0.62558995362456 0.77398565850003 0.13447358619299 32.065 > 77 81 Lu 0.22134842232455 0.33903294092777 0.83456008884969 174.967 > 81 82 Lu 0.72134842232455 0.33903294092777 0.83456008884969 174.967 > 81 83 Lu 0.22134842232455 0.83903294092777 0.83456008884969 174.967 > 81 84 Lu 0.72134842232455 0.83903294092777 0.83456008884969 174.967 > 81 85 Lu 0.27865157767545 0.08903294092777 0.66543991115031 174.967 > 85 86 Lu 0.77865157767545 0.08903294092777 0.66543991115031 174.967 > 85 87 Lu 0.27865157767545 0.58903294092777 0.66543991115031 174.967 > 85 88 Lu 0.77865157767545 0.58903294092777 0.66543991115031 174.967 > 85 89 Lu 0.27865157767545 0.16096705907223 0.16543991115031 174.967 > 89 90 Lu 0.77865157767545 0.16096705907223 0.16543991115031 174.967 > 89 91 Lu 0.27865157767545 0.66096705907223 0.16543991115031 174.967 > 89 92 Lu 0.77865157767545 0.66096705907223 0.16543991115031 174.967 > 89 93 Lu 0.22134842232455 0.41096705907223 0.33456008884969 174.967 > 93 94 Lu 0.72134842232455 0.41096705907223 0.33456008884969 174.967 > 93 95 Lu 0.22134842232455 0.91096705907223 0.33456008884969 174.967 > 93 96 Lu 0.72134842232455 0.91096705907223 0.33456008884969 174.967 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6536609 0.0000000 -0.7804300 0.0000000 5.8534087 0.0000000 -0.7804739 0.0000000 5.6668716 -------------------------- Born effective charges -------------------------- 1 P 1.6472452 -0.1271269 -0.5790723 -0.3437692 2.4712865 0.0541444 -0.8253301 0.1297545 3.1407023 2 P 1.6472452 0.1271269 -0.5790723 0.3437692 2.4712865 -0.0541444 -0.8253301 -0.1297545 3.1407023 3 P 1.6472452 -0.1271269 -0.5790723 -0.3437692 2.4712865 0.0541444 -0.8253301 0.1297545 3.1407023 4 P 1.6472452 0.1271269 -0.5790723 0.3437692 2.4712865 -0.0541444 -0.8253301 -0.1297545 3.1407023 5 S -1.3862257 -0.1732874 0.4755382 -0.2209752 -1.3263494 -0.1300779 0.5046529 -0.1576594 -1.6040597 6 S -1.3862257 0.1732874 0.4755382 0.2209752 -1.3263494 0.1300779 0.5046529 0.1576594 -1.6040597 7 S -1.3862257 -0.1732874 0.4755382 -0.2209752 -1.3263494 -0.1300779 0.5046529 -0.1576594 -1.6040597 8 S -1.3862257 0.1732874 0.4755382 0.2209752 -1.3263494 0.1300779 0.5046529 0.1576594 -1.6040597 9 S -1.2137517 -0.2131739 0.3410622 -0.2787909 -0.5898915 0.1256169 0.4700593 0.2483379 -2.1525622 10 S -1.2137517 0.2131739 0.3410622 0.2787909 -0.5898915 -0.1256169 0.4700593 -0.2483379 -2.1525622 11 S -1.2137517 -0.2131739 0.3410622 -0.2787909 -0.5898915 0.1256169 0.4700593 0.2483379 -2.1525622 12 S -1.2137517 0.2131739 0.3410622 0.2787909 -0.5898915 -0.1256169 0.4700593 -0.2483379 -2.1525622 13 S -0.7146653 0.0281028 0.4540540 0.1125471 -2.0922701 0.5411463 0.3217022 0.2704799 -1.4816789 14 S -0.7146653 -0.0281028 0.4540540 -0.1125471 -2.0922701 -0.5411463 0.3217022 -0.2704799 -1.4816789 15 S -0.7146653 0.0281028 0.4540540 0.1125471 -2.0922701 0.5411463 0.3217022 0.2704799 -1.4816789 16 S -0.7146653 -0.0281028 0.4540540 -0.1125471 -2.0922701 -0.5411463 0.3217022 -0.2704799 -1.4816789 17 S -0.8759499 -0.0286294 0.4814232 0.0140929 -1.9119313 -0.3403161 0.5063363 -0.1004472 -1.4402140 18 S -0.8759499 0.0286294 0.4814232 -0.0140929 -1.9119313 0.3403161 0.5063363 0.1004472 -1.4402140 19 S -0.8759499 -0.0286294 0.4814232 0.0140929 -1.9119313 -0.3403161 0.5063363 -0.1004472 -1.4402140 20 S -0.8759499 0.0286294 0.4814232 -0.0140929 -1.9119313 0.3403161 0.5063363 0.1004472 -1.4402140 21 Lu 2.5433474 -0.2444244 -1.1730053 0.0127124 3.4491558 -0.2592004 -0.9774206 -0.0665992 3.5378125 22 Lu 2.5433474 0.2444244 -1.1730053 -0.0127124 3.4491558 0.2592004 -0.9774206 0.0665992 3.5378125 23 Lu 2.5433474 -0.2444244 -1.1730053 0.0127124 3.4491558 -0.2592004 -0.9774206 -0.0665992 3.5378125 24 Lu 2.5433474 0.2444244 -1.1730053 -0.0127124 3.4491558 0.2592004 -0.9774206 0.0665992 3.5378125 ---------------------------------------------------------------------------- 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] 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] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0085] [ 0.0052 0.0000 -0.0085] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zx) 0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:43:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:43:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.235164662476935 0.000000000000000 0.000000000000000 b 0.000000000000000 6.371787149999999 0.000000000000000 c -6.446861967358958 0.000000000000000 10.500245932301366 Atomic positions (fractional): 1 P 0.30387526887443 0.77044842851642 0.03574434148326 30.974 2 P 0.69612473112558 0.27044842851642 0.46425565851674 30.974 3 P 0.69612473112558 0.22955157148358 0.96425565851674 30.974 4 P 0.30387526887443 0.72955157148358 0.53574434148326 30.974 5 S 0.58590768144771 0.76816753593378 0.58974174667519 32.065 6 S 0.41409231855229 0.26816753593378 0.91025825332481 32.065 7 S 0.41409231855229 0.23183246406622 0.41025825332481 32.065 8 S 0.58590768144771 0.73183246406622 0.08974174667519 32.065 9 S 0.13579814396844 0.74819998518861 0.34618007312096 32.065 10 S 0.86420185603156 0.24819998518861 0.15381992687904 32.065 11 S 0.86420185603156 0.25180001481139 0.65381992687904 32.065 12 S 0.13579814396844 0.75180001481139 0.84618007312096 32.065 13 S 0.26968247672348 0.45603979074186 0.61116283155243 32.065 14 S 0.73031752327652 0.95603979074186 0.88883716844757 32.065 15 S 0.73031752327652 0.54396020925814 0.38883716844757 32.065 16 S 0.26968247672348 0.04396020925814 0.11116283155243 32.065 17 S 0.25117990724912 0.95202868299994 0.63447358619299 32.065 18 S 0.74882009275088 0.45202868299993 0.86552641380701 32.065 19 S 0.74882009275088 0.04797131700007 0.36552641380701 32.065 20 S 0.25117990724912 0.54797131700006 0.13447358619299 32.065 21 Lu 0.44269684464911 0.67806588185554 0.83456008884969 174.967 22 Lu 0.55730315535089 0.17806588185554 0.66543991115031 174.967 23 Lu 0.55730315535089 0.32193411814446 0.16543991115031 174.967 24 Lu 0.44269684464911 0.82193411814446 0.33456008884969 174.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.470329324953870 0.000000000000000 0.000000000000000 b 0.000000000000000 12.743574299999999 0.000000000000000 c -6.446861967358958 0.000000000000000 10.500245932301366 Atomic positions (fractional): 1 P 0.15193763443721 0.38522421425821 0.03574434148326 30.974 > 1 2 P 0.65193763443721 0.38522421425821 0.03574434148326 30.974 > 1 3 P 0.15193763443721 0.88522421425821 0.03574434148326 30.974 > 1 4 P 0.65193763443721 0.88522421425821 0.03574434148326 30.974 > 1 5 P 0.34806236556279 0.13522421425821 0.46425565851674 30.974 > 5 6 P 0.84806236556279 0.13522421425821 0.46425565851674 30.974 > 5 7 P 0.34806236556279 0.63522421425821 0.46425565851674 30.974 > 5 8 P 0.84806236556279 0.63522421425821 0.46425565851674 30.974 > 5 9 P 0.34806236556279 0.11477578574179 0.96425565851674 30.974 > 9 10 P 0.84806236556279 0.11477578574179 0.96425565851674 30.974 > 9 11 P 0.34806236556279 0.61477578574179 0.96425565851674 30.974 > 9 12 P 0.84806236556279 0.61477578574179 0.96425565851674 30.974 > 9 13 P 0.15193763443721 0.36477578574179 0.53574434148326 30.974 > 13 14 P 0.65193763443721 0.36477578574179 0.53574434148326 30.974 > 13 15 P 0.15193763443721 0.86477578574179 0.53574434148326 30.974 > 13 16 P 0.65193763443721 0.86477578574179 0.53574434148326 30.974 > 13 17 S 0.29295384072385 0.38408376796689 0.58974174667519 32.065 > 17 18 S 0.79295384072385 0.38408376796689 0.58974174667519 32.065 > 17 19 S 0.29295384072385 0.88408376796689 0.58974174667519 32.065 > 17 20 S 0.79295384072385 0.88408376796689 0.58974174667519 32.065 > 17 21 S 0.20704615927615 0.13408376796689 0.91025825332481 32.065 > 21 22 S 0.70704615927615 0.13408376796689 0.91025825332481 32.065 > 21 23 S 0.20704615927615 0.63408376796689 0.91025825332481 32.065 > 21 24 S 0.70704615927615 0.63408376796689 0.91025825332481 32.065 > 21 25 S 0.20704615927615 0.11591623203311 0.41025825332481 32.065 > 25 26 S 0.70704615927615 0.11591623203311 0.41025825332481 32.065 > 25 27 S 0.20704615927615 0.61591623203311 0.41025825332481 32.065 > 25 28 S 0.70704615927615 0.61591623203311 0.41025825332481 32.065 > 25 29 S 0.29295384072385 0.36591623203311 0.08974174667519 32.065 > 29 30 S 0.79295384072385 0.36591623203311 0.08974174667519 32.065 > 29 31 S 0.29295384072385 0.86591623203311 0.08974174667519 32.065 > 29 32 S 0.79295384072385 0.86591623203311 0.08974174667519 32.065 > 29 33 S 0.06789907198422 0.37409999259430 0.34618007312096 32.065 > 33 34 S 0.56789907198422 0.37409999259430 0.34618007312096 32.065 > 33 35 S 0.06789907198422 0.87409999259430 0.34618007312096 32.065 > 33 36 S 0.56789907198422 0.87409999259430 0.34618007312096 32.065 > 33 37 S 0.43210092801578 0.12409999259430 0.15381992687904 32.065 > 37 38 S 0.93210092801578 0.12409999259430 0.15381992687904 32.065 > 37 39 S 0.43210092801578 0.62409999259430 0.15381992687904 32.065 > 37 40 S 0.93210092801578 0.62409999259430 0.15381992687904 32.065 > 37 41 S 0.43210092801578 0.12590000740570 0.65381992687904 32.065 > 41 42 S 0.93210092801578 0.12590000740570 0.65381992687904 32.065 > 41 43 S 0.43210092801578 0.62590000740570 0.65381992687904 32.065 > 41 44 S 0.93210092801578 0.62590000740570 0.65381992687904 32.065 > 41 45 S 0.06789907198422 0.37590000740570 0.84618007312096 32.065 > 45 46 S 0.56789907198422 0.37590000740570 0.84618007312096 32.065 > 45 47 S 0.06789907198422 0.87590000740570 0.84618007312096 32.065 > 45 48 S 0.56789907198422 0.87590000740570 0.84618007312096 32.065 > 45 49 S 0.13484123836174 0.22801989537093 0.61116283155243 32.065 > 49 50 S 0.63484123836174 0.22801989537093 0.61116283155243 32.065 > 49 51 S 0.13484123836174 0.72801989537093 0.61116283155243 32.065 > 49 52 S 0.63484123836174 0.72801989537093 0.61116283155243 32.065 > 49 53 S 0.36515876163826 0.47801989537093 0.88883716844757 32.065 > 53 54 S 0.86515876163826 0.47801989537093 0.88883716844757 32.065 > 53 55 S 0.36515876163826 0.97801989537093 0.88883716844757 32.065 > 53 56 S 0.86515876163826 0.97801989537093 0.88883716844757 32.065 > 53 57 S 0.36515876163826 0.27198010462907 0.38883716844757 32.065 > 57 58 S 0.86515876163826 0.27198010462907 0.38883716844757 32.065 > 57 59 S 0.36515876163826 0.77198010462907 0.38883716844757 32.065 > 57 60 S 0.86515876163826 0.77198010462907 0.38883716844757 32.065 > 57 61 S 0.13484123836174 0.02198010462907 0.11116283155243 32.065 > 61 62 S 0.63484123836174 0.02198010462907 0.11116283155243 32.065 > 61 63 S 0.13484123836174 0.52198010462907 0.11116283155243 32.065 > 61 64 S 0.63484123836174 0.52198010462907 0.11116283155243 32.065 > 61 65 S 0.12558995362456 0.47601434149997 0.63447358619299 32.065 > 65 66 S 0.62558995362456 0.47601434149997 0.63447358619299 32.065 > 65 67 S 0.12558995362456 0.97601434149997 0.63447358619299 32.065 > 65 68 S 0.62558995362456 0.97601434149997 0.63447358619299 32.065 > 65 69 S 0.37441004637544 0.22601434149997 0.86552641380701 32.065 > 69 70 S 0.87441004637544 0.22601434149997 0.86552641380701 32.065 > 69 71 S 0.37441004637544 0.72601434149997 0.86552641380701 32.065 > 69 72 S 0.87441004637544 0.72601434149997 0.86552641380701 32.065 > 69 73 S 0.37441004637544 0.02398565850003 0.36552641380701 32.065 > 73 74 S 0.87441004637544 0.02398565850003 0.36552641380701 32.065 > 73 75 S 0.37441004637544 0.52398565850003 0.36552641380701 32.065 > 73 76 S 0.87441004637544 0.52398565850003 0.36552641380701 32.065 > 73 77 S 0.12558995362456 0.27398565850003 0.13447358619299 32.065 > 77 78 S 0.62558995362456 0.27398565850003 0.13447358619299 32.065 > 77 79 S 0.12558995362456 0.77398565850003 0.13447358619299 32.065 > 77 80 S 0.62558995362456 0.77398565850003 0.13447358619299 32.065 > 77 81 Lu 0.22134842232455 0.33903294092777 0.83456008884969 174.967 > 81 82 Lu 0.72134842232455 0.33903294092777 0.83456008884969 174.967 > 81 83 Lu 0.22134842232455 0.83903294092777 0.83456008884969 174.967 > 81 84 Lu 0.72134842232455 0.83903294092777 0.83456008884969 174.967 > 81 85 Lu 0.27865157767545 0.08903294092777 0.66543991115031 174.967 > 85 86 Lu 0.77865157767545 0.08903294092777 0.66543991115031 174.967 > 85 87 Lu 0.27865157767545 0.58903294092777 0.66543991115031 174.967 > 85 88 Lu 0.77865157767545 0.58903294092777 0.66543991115031 174.967 > 85 89 Lu 0.27865157767545 0.16096705907223 0.16543991115031 174.967 > 89 90 Lu 0.77865157767545 0.16096705907223 0.16543991115031 174.967 > 89 91 Lu 0.27865157767545 0.66096705907223 0.16543991115031 174.967 > 89 92 Lu 0.77865157767545 0.66096705907223 0.16543991115031 174.967 > 89 93 Lu 0.22134842232455 0.41096705907223 0.33456008884969 174.967 > 93 94 Lu 0.72134842232455 0.41096705907223 0.33456008884969 174.967 > 93 95 Lu 0.22134842232455 0.91096705907223 0.33456008884969 174.967 > 93 96 Lu 0.72134842232455 0.91096705907223 0.33456008884969 174.967 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.6536609 0.0000000 -0.7804300 0.0000000 5.8534087 0.0000000 -0.7804739 0.0000000 5.6668716 -------------------------- Born effective charges -------------------------- 1 P 1.6472452 -0.1271269 -0.5790723 -0.3437692 2.4712865 0.0541444 -0.8253301 0.1297545 3.1407023 2 P 1.6472452 0.1271269 -0.5790723 0.3437692 2.4712865 -0.0541444 -0.8253301 -0.1297545 3.1407023 3 P 1.6472452 -0.1271269 -0.5790723 -0.3437692 2.4712865 0.0541444 -0.8253301 0.1297545 3.1407023 4 P 1.6472452 0.1271269 -0.5790723 0.3437692 2.4712865 -0.0541444 -0.8253301 -0.1297545 3.1407023 5 S -1.3862257 -0.1732874 0.4755382 -0.2209752 -1.3263494 -0.1300779 0.5046529 -0.1576594 -1.6040597 6 S -1.3862257 0.1732874 0.4755382 0.2209752 -1.3263494 0.1300779 0.5046529 0.1576594 -1.6040597 7 S -1.3862257 -0.1732874 0.4755382 -0.2209752 -1.3263494 -0.1300779 0.5046529 -0.1576594 -1.6040597 8 S -1.3862257 0.1732874 0.4755382 0.2209752 -1.3263494 0.1300779 0.5046529 0.1576594 -1.6040597 9 S -1.2137517 -0.2131739 0.3410622 -0.2787909 -0.5898915 0.1256169 0.4700593 0.2483379 -2.1525622 10 S -1.2137517 0.2131739 0.3410622 0.2787909 -0.5898915 -0.1256169 0.4700593 -0.2483379 -2.1525622 11 S -1.2137517 -0.2131739 0.3410622 -0.2787909 -0.5898915 0.1256169 0.4700593 0.2483379 -2.1525622 12 S -1.2137517 0.2131739 0.3410622 0.2787909 -0.5898915 -0.1256169 0.4700593 -0.2483379 -2.1525622 13 S -0.7146653 0.0281028 0.4540540 0.1125471 -2.0922701 0.5411463 0.3217022 0.2704799 -1.4816789 14 S -0.7146653 -0.0281028 0.4540540 -0.1125471 -2.0922701 -0.5411463 0.3217022 -0.2704799 -1.4816789 15 S -0.7146653 0.0281028 0.4540540 0.1125471 -2.0922701 0.5411463 0.3217022 0.2704799 -1.4816789 16 S -0.7146653 -0.0281028 0.4540540 -0.1125471 -2.0922701 -0.5411463 0.3217022 -0.2704799 -1.4816789 17 S -0.8759499 -0.0286294 0.4814232 0.0140929 -1.9119313 -0.3403161 0.5063363 -0.1004472 -1.4402140 18 S -0.8759499 0.0286294 0.4814232 -0.0140929 -1.9119313 0.3403161 0.5063363 0.1004472 -1.4402140 19 S -0.8759499 -0.0286294 0.4814232 0.0140929 -1.9119313 -0.3403161 0.5063363 -0.1004472 -1.4402140 20 S -0.8759499 0.0286294 0.4814232 -0.0140929 -1.9119313 0.3403161 0.5063363 0.1004472 -1.4402140 21 Lu 2.5433474 -0.2444244 -1.1730053 0.0127124 3.4491558 -0.2592004 -0.9774206 -0.0665992 3.5378125 22 Lu 2.5433474 0.2444244 -1.1730053 -0.0127124 3.4491558 0.2592004 -0.9774206 0.0665992 3.5378125 23 Lu 2.5433474 -0.2444244 -1.1730053 0.0127124 3.4491558 -0.2592004 -0.9774206 -0.0665992 3.5378125 24 Lu 2.5433474 0.2444244 -1.1730053 -0.0127124 3.4491558 0.2592004 -0.9774206 0.0665992 3.5378125 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 8 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.51, Number of G-points: 299, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.396 ( 0.000 0.000 0.000) 0.000 1.450 ( 0.000 0.000 0.000) 0.000 1.482 ( 0.000 0.000 0.000) 0.000 1.532 ( 0.000 0.000 0.000) 0.000 2.242 ( 0.000 0.000 0.000) 0.000 2.269 ( 0.000 0.000 0.000) 0.000 2.282 ( 0.000 0.000 0.000) 0.000 2.453 ( 0.000 0.000 0.000) 0.000 2.530 ( 0.000 0.000 0.000) 0.000 2.647 ( 0.000 0.000 0.000) 0.000 2.711 ( 0.000 0.000 0.000) 0.000 2.917 ( 0.000 0.000 0.000) 0.000 2.957 ( 0.000 0.000 0.000) 0.000 3.885 ( 0.000 0.000 0.000) 0.000 3.989 ( 0.000 0.000 0.000) 0.000 4.069 ( 0.000 0.000 0.000) 0.000 4.174 ( 0.000 0.000 0.000) 0.000 4.202 ( 0.000 0.000 0.000) 0.000 4.235 ( 0.000 0.000 0.000) 0.000 4.350 ( 0.000 0.000 0.000) 0.000 4.448 ( 0.000 0.000 0.000) 0.000 4.452 ( 0.000 0.000 0.000) 0.000 4.566 ( 0.000 0.000 0.000) 0.000 4.622 ( 0.000 0.000 0.000) 0.000 4.808 ( 0.000 0.000 0.000) 0.000 4.889 ( 0.000 0.000 0.000) 0.000 5.221 ( 0.000 0.000 0.000) 0.000 5.255 ( 0.000 0.000 0.000) 0.000 5.334 ( 0.000 0.000 0.000) 0.000 5.694 ( 0.000 0.000 0.000) 0.000 5.699 ( 0.000 0.000 0.000) 0.000 5.991 ( 0.000 0.000 0.000) 0.000 6.068 ( 0.000 0.000 0.000) 0.000 6.255 ( 0.000 0.000 0.000) 0.000 6.359 ( 0.000 0.000 0.000) 0.000 6.820 ( 0.000 0.000 0.000) 0.000 6.984 ( 0.000 0.000 0.000) 0.000 7.165 ( 0.000 0.000 0.000) 0.000 7.277 ( 0.000 0.000 0.000) 0.000 7.468 ( 0.000 0.000 0.000) 0.000 7.527 ( 0.000 0.000 0.000) 0.000 7.703 ( 0.000 0.000 0.000) 0.000 7.814 ( 0.000 0.000 0.000) 0.000 7.819 ( 0.000 0.000 0.000) 0.000 8.222 ( 0.000 0.000 0.000) 0.000 8.226 ( 0.000 0.000 0.000) 0.000 8.262 ( 0.000 0.000 0.000) 0.000 8.367 ( 0.000 0.000 0.000) 0.000 8.556 ( 0.000 0.000 0.000) 0.000 9.061 ( 0.000 0.000 0.000) 0.000 9.161 ( 0.000 0.000 0.000) 0.000 9.180 ( 0.000 0.000 0.000) 0.000 9.312 ( 0.000 0.000 0.000) 0.000 12.304 ( 0.000 0.000 0.000) 0.000 12.312 ( 0.000 0.000 0.000) 0.000 12.338 ( 0.000 0.000 0.000) 0.000 12.387 ( 0.000 0.000 0.000) 0.000 15.406 ( 0.000 0.000 0.000) 0.000 15.494 ( 0.000 0.000 0.000) 0.000 15.690 ( 0.000 0.000 0.000) 0.000 15.734 ( 0.000 0.000 0.000) 0.000 15.975 ( 0.000 0.000 0.000) 0.000 16.154 ( 0.000 0.000 0.000) 0.000 16.221 ( 0.000 0.000 0.000) 0.000 16.309 ( 0.000 0.000 0.000) 0.000 17.888 ( 0.000 0.000 0.000) 0.000 17.946 ( 0.000 0.000 0.000) 0.000 17.988 ( 0.000 0.000 0.000) 0.000 18.839 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.163 ( 5.331 0.000 5.715) 7.816 0.199 ( -2.924 0.000 23.235) 23.418 0.330 ( 11.697 0.000 10.078) 15.440 1.357 ( -1.009 0.000 -5.208) 5.305 1.451 ( -0.802 0.000 1.500) 1.701 1.494 ( 0.066 0.000 1.846) 1.847 1.543 ( 1.902 0.000 -1.159) 2.227 2.235 ( -0.727 0.000 -0.652) 0.977 2.261 ( -0.145 0.000 -0.610) 0.627 2.264 ( -1.162 0.000 -0.987) 1.525 2.453 ( -0.840 0.000 1.731) 1.924 2.523 ( -0.821 0.000 0.073) 0.824 2.656 ( 0.162 0.000 0.884) 0.898 2.728 ( 1.582 0.000 0.184) 1.593 2.912 ( -0.221 0.000 -0.667) 0.703 2.960 ( 0.286 0.000 -0.053) 0.291 3.880 ( -0.497 0.000 -0.063) 0.501 4.027 ( 0.617 0.000 -1.450) 1.576 4.077 ( 0.371 0.000 0.652) 0.750 4.166 ( -0.716 0.000 -0.200) 0.744 4.239 ( -0.080 0.000 0.791) 0.795 4.240 ( 7.869 0.000 -13.673) 15.775 4.352 ( -0.284 0.000 0.773) 0.824 4.445 ( -0.315 0.000 -0.143) 0.346 4.452 ( -0.175 0.000 0.273) 0.324 4.565 ( 0.387 0.000 -0.950) 1.026 4.673 ( -9.335 0.000 15.478) 18.076 4.798 ( -1.031 0.000 0.198) 1.050 4.895 ( 1.306 0.000 -1.324) 1.859 5.219 ( -0.102 0.000 -0.219) 0.242 5.261 ( 0.262 0.000 0.643) 0.695 5.327 ( -0.594 0.000 -0.276) 0.655 5.719 ( 1.926 0.000 1.322) 2.336 5.720 ( 1.341 0.000 1.451) 1.976 5.964 ( -1.472 0.000 -2.168) 2.620 6.069 ( 1.798 0.000 -2.551) 3.121 6.252 ( 0.018 0.000 -0.566) 0.566 6.342 ( -2.716 0.000 1.361) 3.038 6.852 ( 2.187 0.000 1.279) 2.534 6.961 ( -1.616 0.000 -1.442) 2.165 7.166 ( -0.138 0.000 0.261) 0.295 7.275 ( -0.136 0.000 -0.148) 0.200 7.466 ( -0.238 0.000 -0.098) 0.257 7.532 ( 0.280 0.000 0.313) 0.420 7.698 ( -1.097 0.000 0.882) 1.407 7.812 ( -0.596 0.000 -0.331) 0.681 7.813 ( 0.669 0.000 -1.059) 1.253 8.216 ( -2.658 0.000 3.600) 4.476 8.240 ( 3.991 0.000 -6.218) 7.389 8.280 ( 1.137 0.000 1.191) 1.647 8.388 ( -6.087 0.000 8.433) 10.400 8.553 ( -0.592 0.000 0.289) 0.659 9.049 ( -0.283 0.000 -1.481) 1.508 9.186 ( 1.395 0.000 2.108) 2.528 9.237 ( 5.328 0.000 -8.542) 10.068 9.324 ( 1.022 0.000 0.424) 1.107 12.304 ( 0.087 0.000 -0.113) 0.143 12.313 ( 0.219 0.000 -0.189) 0.289 12.338 ( -0.071 0.000 0.158) 0.173 12.395 ( -0.235 0.000 0.103) 0.256 15.412 ( 0.309 0.000 0.623) 0.695 15.483 ( -0.812 0.000 -0.486) 0.947 15.676 ( -0.860 0.000 -1.101) 1.397 15.752 ( 1.197 0.000 1.036) 1.583 16.002 ( 1.931 0.000 1.559) 2.482 16.139 ( -0.647 0.000 -1.500) 1.633 16.316 ( 0.884 0.000 -0.376) 0.961 16.342 ( 10.907 0.000 -17.479) 20.602 17.933 ( 3.423 0.000 2.965) 4.529 17.982 ( 0.582 0.000 -2.017) 2.099 18.145 ( -20.556 0.000 32.258) 38.251 18.797 ( -4.849 0.000 0.139) 4.851 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.297 ( 3.726 0.000 4.197) 5.613 0.383 ( -0.587 0.000 16.222) 16.233 0.601 ( 8.456 0.000 7.027) 10.994 1.268 ( -2.059 0.000 -5.351) 5.733 1.453 ( -0.876 0.000 1.483) 1.723 1.520 ( 1.114 0.000 0.920) 1.444 1.569 ( 2.275 0.000 -1.014) 2.491 2.199 ( -1.667 0.000 -1.497) 2.240 2.230 ( -1.209 0.000 -1.123) 1.650 2.259 ( 0.304 0.000 -0.346) 0.460 2.467 ( -0.223 0.000 2.597) 2.606 2.507 ( -0.993 0.000 0.100) 0.998 2.663 ( -0.214 0.000 0.300) 0.368 2.760 ( 1.380 0.000 0.559) 1.489 2.897 ( -0.364 0.000 -1.034) 1.096 2.965 ( 0.297 0.000 0.034) 0.299 3.869 ( -0.621 0.000 -0.024) 0.622 4.021 ( 0.087 0.000 -0.745) 0.751 4.089 ( 0.370 0.000 0.249) 0.446 4.151 ( -1.193 0.000 0.681) 1.374 4.230 ( 2.741 0.000 -5.408) 6.063 4.248 ( 0.125 0.000 0.766) 0.776 4.356 ( -0.335 0.000 0.905) 0.965 4.435 ( -0.514 0.000 -0.212) 0.556 4.454 ( -0.050 0.000 0.476) 0.479 4.559 ( 0.304 0.000 -1.326) 1.361 4.677 ( -3.155 0.000 5.475) 6.319 4.783 ( -0.885 0.000 0.202) 0.908 4.903 ( 0.897 0.000 -0.955) 1.310 5.215 ( -0.175 0.000 -0.012) 0.175 5.274 ( 0.439 0.000 0.474) 0.646 5.310 ( -0.801 0.000 -0.439) 0.913 5.769 ( 2.140 0.000 1.491) 2.609 5.778 ( 2.528 0.000 1.895) 3.159 5.911 ( -1.445 0.000 -2.321) 2.733 6.082 ( 3.638 0.000 -3.691) 5.183 6.243 ( -0.254 0.000 -0.693) 0.738 6.296 ( -4.682 0.000 2.317) 5.224 6.905 ( -2.287 0.000 -2.029) 3.058 6.909 ( 1.983 0.000 1.915) 2.756 7.166 ( -0.067 0.000 0.199) 0.210 7.271 ( -0.167 0.000 -0.185) 0.249 7.459 ( -0.333 0.000 -0.121) 0.355 7.541 ( 0.352 0.000 0.391) 0.526 7.687 ( -1.182 0.000 0.922) 1.500 7.794 ( -0.780 0.000 -0.456) 0.904 7.817 ( 0.876 0.000 -0.857) 1.225 8.211 ( -2.417 0.000 3.909) 4.596 8.239 ( 3.246 0.000 -5.750) 6.603 8.320 ( 1.535 0.000 1.490) 2.140 8.369 ( -3.113 0.000 3.182) 4.451 8.540 ( -1.006 0.000 -0.007) 1.006 9.025 ( -0.372 0.000 -1.709) 1.749 9.238 ( 1.808 0.000 -2.887) 3.406 9.241 ( 1.513 0.000 2.707) 3.102 9.351 ( 1.314 0.000 0.494) 1.404 12.306 ( 0.141 0.000 -0.028) 0.144 12.315 ( 0.271 0.000 -0.239) 0.361 12.338 ( -0.076 0.000 0.098) 0.124 12.391 ( -0.419 0.000 0.338) 0.539 15.429 ( 0.559 0.000 1.033) 1.174 15.462 ( -0.811 0.000 -0.454) 0.929 15.641 ( -1.255 0.000 -1.638) 2.064 15.788 ( 1.296 0.000 1.117) 1.711 16.063 ( 2.362 0.000 2.161) 3.201 16.108 ( -0.795 0.000 -1.669) 1.849 16.327 ( 0.971 0.000 -0.817) 1.269 16.344 ( 4.114 0.000 -6.648) 7.818 17.969 ( 0.892 0.000 -2.632) 2.779 18.067 ( 6.889 0.000 4.971) 8.495 18.129 ( -9.488 0.000 13.851) 16.789 18.676 ( -8.630 0.000 -0.846) 8.672 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( 1.347 0.000 1.597) 2.089 0.502 ( 0.176 0.000 5.887) 5.890 0.756 ( 3.173 0.000 2.527) 4.056 1.195 ( -1.067 0.000 -2.316) 2.550 1.452 ( -0.397 0.000 0.530) 0.662 1.544 ( 0.728 0.000 0.219) 0.760 1.592 ( 1.020 0.000 -0.292) 1.061 2.161 ( -0.882 0.000 -0.798) 1.189 2.205 ( -0.501 0.000 -0.488) 0.700 2.260 ( 0.142 0.000 -0.149) 0.206 2.493 ( 0.203 0.000 1.478) 1.491 2.494 ( -0.426 0.000 0.049) 0.429 2.657 ( -0.240 0.000 -0.294) 0.379 2.782 ( 0.433 0.000 0.452) 0.626 2.882 ( -0.202 0.000 -0.611) 0.644 2.969 ( 0.128 0.000 0.022) 0.130 3.860 ( -0.276 0.000 0.013) 0.276 4.016 ( -0.014 0.000 -0.257) 0.258 4.094 ( 0.190 0.000 -0.196) 0.273 4.141 ( -0.704 0.000 0.648) 0.957 4.222 ( 0.737 0.000 -1.588) 1.751 4.257 ( 0.134 0.000 0.362) 0.386 4.359 ( -0.132 0.000 0.374) 0.396 4.426 ( -0.270 0.000 -0.109) 0.291 4.459 ( 0.021 0.000 0.291) 0.292 4.550 ( 0.085 0.000 -0.677) 0.682 4.680 ( -0.794 0.000 1.442) 1.646 4.774 ( -0.309 0.000 0.089) 0.322 4.906 ( 0.303 0.000 -0.363) 0.473 5.213 ( -0.076 0.000 0.046) 0.089 5.283 ( 0.210 0.000 0.135) 0.250 5.295 ( -0.378 0.000 -0.229) 0.442 5.813 ( 1.091 0.000 0.752) 1.325 5.830 ( 1.208 0.000 0.934) 1.527 5.874 ( -0.549 0.000 -0.983) 1.126 6.112 ( 3.169 0.000 -2.425) 3.990 6.232 ( -0.246 0.000 -0.327) 0.409 6.241 ( -3.588 0.000 1.885) 4.053 6.855 ( -1.154 0.000 -1.018) 1.539 6.949 ( 0.770 0.000 0.795) 1.107 7.167 ( -0.015 0.000 0.090) 0.091 7.267 ( -0.072 0.000 -0.083) 0.110 7.453 ( -0.162 0.000 -0.053) 0.171 7.549 ( 0.157 0.000 0.174) 0.234 7.679 ( -0.461 0.000 0.366) 0.589 7.780 ( -0.359 0.000 -0.220) 0.421 7.823 ( 0.390 0.000 -0.253) 0.465 8.215 ( -1.564 0.000 3.072) 3.447 8.232 ( 1.893 0.000 -3.803) 4.248 8.353 ( -1.082 0.000 0.906) 1.411 8.355 ( 0.821 0.000 0.752) 1.114 8.523 ( -0.624 0.000 -0.194) 0.653 9.006 ( -0.170 0.000 -0.726) 0.746 9.238 ( 0.467 0.000 -0.763) 0.895 9.283 ( 0.590 0.000 1.226) 1.361 9.373 ( 0.601 0.000 0.206) 0.636 12.308 ( 0.071 0.000 0.020) 0.073 12.317 ( 0.120 0.000 -0.108) 0.161 12.338 ( -0.025 0.000 0.017) 0.030 12.389 ( -0.195 0.000 0.166) 0.256 15.448 ( 0.384 0.000 0.657) 0.761 15.449 ( -0.315 0.000 -0.169) 0.358 15.608 ( -0.697 0.000 -0.930) 1.162 15.813 ( 0.531 0.000 0.460) 0.703 16.084 ( -0.350 0.000 -0.695) 0.778 16.113 ( 1.043 0.000 1.092) 1.510 16.331 ( 0.373 0.000 -0.541) 0.657 16.344 ( 1.147 0.000 -1.929) 2.244 17.959 ( 0.470 0.000 -1.228) 1.315 18.115 ( -3.135 0.000 4.358) 5.368 18.266 ( 9.528 0.000 4.929) 10.728 18.488 ( -10.294 0.000 -3.005) 10.723 ======================= Grid point 7 (5/90) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.138 ( 0.000 12.163 0.000) 12.163 0.402 ( 0.000 20.208 0.000) 20.208 0.713 ( 0.000 33.624 0.000) 33.624 1.378 ( 0.000 -1.379 0.000) 1.379 1.401 ( 0.000 0.776 0.000) 0.776 1.601 ( 0.000 6.325 0.000) 6.325 1.661 ( 0.000 10.506 0.000) 10.506 2.200 ( 0.000 -4.708 0.000) 4.708 2.219 ( 0.000 -4.069 0.000) 4.069 2.283 ( 0.000 0.068 0.000) 0.068 2.489 ( 0.000 -0.238 0.000) 0.238 2.554 ( 0.000 1.943 0.000) 1.943 2.629 ( 0.000 -1.894 0.000) 1.894 2.838 ( 0.000 0.660 0.000) 0.660 2.898 ( 0.000 -2.121 0.000) 2.121 2.957 ( 0.000 0.092 0.000) 0.092 3.841 ( 0.000 -3.767 0.000) 3.767 4.026 ( 0.000 3.048 0.000) 3.048 4.041 ( 0.000 -6.455 0.000) 6.455 4.094 ( 0.000 -5.388 0.000) 5.388 4.171 ( 0.000 -2.685 0.000) 2.685 4.239 ( 0.000 0.220 0.000) 0.220 4.390 ( 0.000 4.064 0.000) 4.064 4.539 ( 0.000 8.002 0.000) 8.002 4.575 ( 0.000 3.423 0.000) 3.423 4.627 ( 0.000 1.799 0.000) 1.799 4.687 ( 0.000 5.530 0.000) 5.530 4.818 ( 0.000 0.897 0.000) 0.897 4.979 ( 0.000 8.468 0.000) 8.468 5.254 ( 0.000 3.741 0.000) 3.741 5.387 ( 0.000 5.445 0.000) 5.445 5.534 ( 0.000 3.365 0.000) 3.365 5.698 ( 0.000 -0.109 0.000) 0.109 5.835 ( 0.000 0.472 0.000) 0.472 5.950 ( 0.000 -1.193 0.000) 1.193 6.171 ( 0.000 7.352 0.000) 7.352 6.305 ( 0.000 4.848 0.000) 4.848 6.335 ( 0.000 -2.255 0.000) 2.255 6.817 ( 0.000 -0.474 0.000) 0.474 6.974 ( 0.000 -0.877 0.000) 0.877 7.209 ( 0.000 4.105 0.000) 4.105 7.469 ( 0.000 0.051 0.000) 0.051 7.503 ( 0.000 0.272 0.000) 0.272 7.533 ( 0.000 0.508 0.000) 0.508 7.688 ( 0.000 -1.424 0.000) 1.424 7.774 ( 0.000 -2.512 0.000) 2.512 7.853 ( 0.000 2.007 0.000) 2.007 8.202 ( 0.000 -2.058 0.000) 2.058 8.215 ( 0.000 -0.668 0.000) 0.668 8.268 ( 0.000 0.067 0.000) 0.067 8.358 ( 0.000 -0.741 0.000) 0.741 8.544 ( 0.000 -1.878 0.000) 1.878 9.038 ( 0.000 -2.242 0.000) 2.242 9.131 ( 0.000 -4.295 0.000) 4.295 9.131 ( 0.000 -3.699 0.000) 3.699 9.270 ( 0.000 -4.109 0.000) 4.109 12.291 ( 0.000 -1.291 0.000) 1.291 12.299 ( 0.000 -1.359 0.000) 1.359 12.323 ( 0.000 -1.340 0.000) 1.340 12.370 ( 0.000 -1.634 0.000) 1.634 15.537 ( 0.000 4.142 0.000) 4.142 15.706 ( 0.000 1.773 0.000) 1.773 15.780 ( 0.000 4.127 0.000) 4.127 15.947 ( 0.000 -0.525 0.000) 0.525 16.115 ( 0.000 -2.441 0.000) 2.441 16.188 ( 0.000 1.299 0.000) 1.299 16.202 ( 0.000 -1.949 0.000) 1.949 16.282 ( 0.000 -2.514 0.000) 2.514 17.883 ( 0.000 -0.337 0.000) 0.337 17.941 ( 0.000 -0.370 0.000) 0.370 17.968 ( 0.000 -1.853 0.000) 1.853 18.764 ( 0.000 -7.339 0.000) 7.339 ======================= Grid point 8 (6/90) ======================= q-point: ( 0.14 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.338 ( 10.094 5.029 7.317) 13.444 0.442 ( -3.594 17.107 13.690) 22.204 0.737 ( 2.948 32.232 -0.788) 32.376 1.346 ( 4.447 -0.700 -12.310) 13.108 1.403 ( -5.480 0.170 8.410) 10.039 1.603 ( -2.322 6.064 4.477) 7.887 1.670 ( 3.310 10.332 -4.015) 11.569 2.198 ( -0.640 -4.944 -1.457) 5.194 2.204 ( -0.127 -3.367 -0.071) 3.370 2.278 ( -0.639 0.261 -0.060) 0.693 2.478 ( -1.491 0.616 1.097) 1.951 2.548 ( -0.941 2.078 0.543) 2.345 2.640 ( 1.530 -1.880 -1.164) 2.689 2.797 ( -2.071 3.085 -0.490) 3.748 2.898 ( -0.071 -1.743 -0.065) 1.746 2.955 ( 0.098 -0.184 -0.517) 0.558 3.837 ( -0.448 -3.437 0.081) 3.467 4.034 ( 1.093 -0.665 -0.503) 1.375 4.048 ( -1.015 -2.482 2.464) 3.642 4.098 ( 1.349 -5.883 -1.846) 6.312 4.162 ( -0.206 -2.956 -0.864) 3.087 4.243 ( 0.029 0.020 0.304) 0.306 4.392 ( -0.082 3.749 0.295) 3.762 4.533 ( 0.967 6.830 -2.828) 7.455 4.555 ( -0.343 6.431 -1.616) 6.640 4.642 ( -2.647 0.464 6.173) 6.733 4.683 ( -0.587 6.259 0.096) 6.287 4.796 ( -1.006 0.728 -1.352) 1.836 4.984 ( 0.641 8.515 -0.167) 8.541 5.255 ( -0.063 4.016 0.252) 4.025 5.377 ( -0.677 6.372 -0.584) 6.435 5.484 ( -2.965 9.162 -2.394) 9.923 5.717 ( 1.349 -0.353 1.050) 1.746 5.782 ( -1.573 4.409 -0.015) 4.681 5.924 ( -1.162 -1.593 -1.513) 2.485 6.156 ( 1.119 6.522 -3.964) 7.714 6.299 ( -0.196 4.121 -0.772) 4.197 6.325 ( -2.815 -1.022 2.583) 3.955 6.846 ( 1.956 -0.621 1.690) 2.658 6.953 ( -1.529 -0.792 -1.368) 2.199 7.210 ( 0.018 4.235 0.263) 4.243 7.402 ( -4.085 6.467 -3.506) 8.415 7.468 ( -0.158 0.178 -0.108) 0.261 7.536 ( 0.159 0.370 0.328) 0.519 7.684 ( -0.851 -1.292 0.689) 1.693 7.771 ( 0.264 -2.532 -0.877) 2.692 7.841 ( -0.503 1.629 -0.540) 1.789 8.202 ( -2.783 -1.589 4.299) 5.362 8.220 ( 3.634 -1.313 -5.216) 6.491 8.284 ( 0.718 -0.120 1.442) 1.615 8.358 ( -2.452 -1.717 3.340) 4.486 8.535 ( -0.859 -1.845 0.155) 2.041 9.008 ( -0.828 -3.171 -1.637) 3.663 9.152 ( 1.150 -3.408 2.201) 4.217 9.170 ( 3.830 -5.298 -3.112) 7.240 9.283 ( 1.119 -4.156 0.222) 4.310 12.286 ( -0.102 -1.526 -0.342) 1.567 12.300 ( -0.137 -1.422 0.292) 1.458 12.325 ( 0.273 -1.180 -0.089) 1.214 12.375 ( 0.080 -1.729 0.289) 1.755 15.526 ( -0.884 4.320 -0.329) 4.422 15.695 ( -0.635 2.228 -1.580) 2.804 15.755 ( -14.132 14.904 -3.660) 20.862 15.792 ( 0.706 4.077 0.486) 4.166 16.004 ( 1.071 0.319 1.493) 1.865 16.135 ( -0.876 -0.251 -1.100) 1.428 16.271 ( 3.309 -3.947 -3.943) 6.487 16.320 ( 6.783 -2.068 -8.432) 11.017 17.928 ( 2.542 -0.604 3.406) 4.293 17.957 ( 0.192 -2.077 -0.736) 2.212 18.040 ( -5.524 -5.471 17.055) 18.743 18.725 ( -4.427 -7.076 -0.130) 8.347 ======================= Grid point 9 (7/90) ======================= q-point: ( 0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( -0.546 11.909 12.006) 16.919 0.595 ( 5.651 3.580 8.128) 10.527 0.782 ( 3.014 28.701 -1.161) 28.882 1.277 ( 0.971 1.184 -8.600) 8.735 1.397 ( -2.164 -1.407 3.230) 4.134 1.620 ( -2.371 5.657 6.223) 8.738 1.685 ( 3.851 9.754 -5.176) 11.694 2.161 ( -0.789 -3.397 -2.065) 4.053 2.209 ( -0.087 -3.659 0.807) 3.748 2.259 ( -0.912 0.871 -0.773) 1.480 2.472 ( -0.606 0.738 1.411) 1.704 2.538 ( -1.108 2.303 1.106) 2.785 2.646 ( 0.505 -1.877 -1.170) 2.268 2.782 ( -0.122 1.787 0.562) 1.877 2.893 ( -0.214 -0.891 -0.440) 1.016 2.951 ( 0.120 -0.923 -0.457) 1.038 3.829 ( -0.517 -3.024 -0.022) 3.068 4.048 ( 1.137 0.771 -0.901) 1.642 4.055 ( -1.149 -3.341 2.574) 4.371 4.097 ( 1.033 -5.040 -2.025) 5.529 4.150 ( -0.785 -4.101 0.162) 4.179 4.243 ( -0.263 0.382 0.084) 0.471 4.392 ( -0.215 3.426 0.256) 3.443 4.515 ( 0.677 4.858 -2.729) 5.613 4.540 ( -0.794 8.203 0.496) 8.256 4.658 ( -1.779 0.195 3.921) 4.311 4.671 ( -0.420 6.815 -0.433) 6.842 4.771 ( -0.485 -0.057 -0.729) 0.878 4.994 ( 0.656 8.648 -0.214) 8.675 5.257 ( 0.004 4.605 0.207) 4.610 5.360 ( -0.263 7.659 -0.609) 7.688 5.426 ( -1.447 9.691 -1.200) 9.872 5.761 ( 1.945 -0.859 1.330) 2.508 5.802 ( 1.490 2.536 1.744) 3.419 5.888 ( -0.844 -1.513 -1.642) 2.387 6.142 ( 3.296 4.899 -5.363) 7.976 6.275 ( -3.040 0.357 0.993) 3.218 6.299 ( -2.411 3.485 1.921) 4.653 6.893 ( -0.857 -0.810 -0.867) 1.464 6.910 ( 0.560 -0.568 0.778) 1.114 7.214 ( 0.026 4.539 0.346) 4.552 7.335 ( -1.276 5.254 -1.350) 5.573 7.463 ( -0.276 0.308 -0.017) 0.414 7.543 ( 0.201 0.143 0.426) 0.493 7.675 ( -0.927 -1.042 0.691) 1.556 7.766 ( 0.168 -2.304 -0.763) 2.432 7.829 ( -0.147 0.997 -0.545) 1.146 8.200 ( -2.424 -1.267 3.915) 4.776 8.224 ( 3.135 -1.390 -5.160) 6.196 8.319 ( 1.028 -0.530 1.793) 2.133 8.344 ( -2.070 -1.737 1.800) 3.247 8.519 ( -1.008 -2.068 -0.154) 2.305 8.981 ( -0.293 -3.773 -1.637) 4.123 9.189 ( 1.672 -4.732 -1.736) 5.310 9.205 ( 1.480 -3.549 2.533) 4.605 9.308 ( 1.255 -4.315 0.213) 4.499 12.283 ( 0.142 -1.823 -0.271) 1.848 12.298 ( -0.439 -1.759 0.279) 1.835 12.330 ( 0.470 -0.832 -0.143) 0.966 12.377 ( -0.215 -1.453 0.322) 1.504 15.505 ( -1.034 4.782 -0.305) 4.902 15.580 ( -3.700 11.005 -1.403) 11.695 15.666 ( -1.465 2.344 -1.140) 2.990 15.821 ( 1.034 3.123 1.154) 3.487 16.057 ( 2.042 -0.538 1.785) 2.765 16.107 ( -0.532 0.084 -1.202) 1.317 16.282 ( 1.824 -3.791 -2.305) 4.797 16.334 ( 3.029 -1.393 -4.267) 5.414 17.946 ( 0.506 -2.093 -1.712) 2.751 18.048 ( 5.040 -1.890 5.148) 7.448 18.085 ( -4.749 -3.433 10.186) 11.751 18.611 ( -7.814 -6.283 -1.170) 10.095 ======================= Grid point 10 (8/90) ======================= q-point: ( 0.43 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( -0.432 9.830 5.771) 11.407 0.734 ( 3.134 2.418 3.116) 5.038 0.801 ( 0.634 25.430 -1.627) 25.490 1.218 ( -0.173 2.619 -2.918) 3.925 1.397 ( -0.231 -2.094 0.519) 2.169 1.647 ( -1.408 5.058 4.306) 6.790 1.689 ( 2.116 9.358 -3.737) 10.297 2.135 ( -0.276 -2.585 -0.902) 2.752 2.218 ( -0.214 -2.605 1.351) 2.943 2.235 ( -0.364 0.800 -1.444) 1.690 2.480 ( -0.011 0.501 0.485) 0.697 2.538 ( -0.382 2.323 1.109) 2.603 2.636 ( -0.057 -2.102 -0.845) 2.266 2.790 ( 0.128 0.815 0.425) 0.928 2.884 ( -0.145 -0.170 -0.384) 0.444 2.950 ( 0.060 -1.539 -0.139) 1.546 3.821 ( -0.238 -2.825 -0.031) 2.836 4.051 ( 0.076 2.875 -0.120) 2.879 4.064 ( -0.119 -4.736 0.714) 4.791 4.094 ( 0.451 -4.458 -0.864) 4.563 4.141 ( -0.483 -5.047 0.286) 5.078 4.239 ( -0.181 0.685 0.071) 0.712 4.391 ( -0.083 3.290 0.104) 3.292 4.503 ( 0.133 4.045 -0.841) 4.133 4.535 ( -0.278 7.984 0.223) 7.992 4.661 ( -0.174 7.880 -0.175) 7.884 4.666 ( -0.536 -0.698 1.090) 1.401 4.762 ( -0.132 -0.230 -0.159) 0.309 5.001 ( 0.264 8.818 -0.084) 8.822 5.259 ( 0.027 5.025 0.065) 5.026 5.355 ( 0.034 7.757 -0.214) 7.761 5.401 ( -0.459 8.808 -0.396) 8.829 5.800 ( 1.089 -1.262 0.553) 1.756 5.833 ( 0.121 0.996 0.503) 1.122 5.874 ( 0.375 -0.351 -0.121) 0.528 6.159 ( 4.282 4.162 -4.270) 7.341 6.224 ( -4.591 -0.980 2.948) 5.543 6.285 ( -0.632 4.873 0.275) 4.922 6.847 ( -1.146 -0.678 -1.012) 1.672 6.946 ( 0.775 -0.707 0.779) 1.306 7.217 ( 0.013 4.779 0.162) 4.782 7.314 ( -0.293 4.225 -0.357) 4.250 7.459 ( -0.141 0.434 0.005) 0.456 7.550 ( 0.089 -0.038 0.194) 0.217 7.669 ( -0.360 -0.889 0.262) 0.994 7.761 ( -0.040 -1.849 -0.283) 1.871 7.824 ( 0.060 0.441 -0.207) 0.491 8.201 ( -1.234 -1.423 2.247) 2.932 8.221 ( 1.512 -1.084 -2.815) 3.374 8.328 ( -0.911 -2.338 0.726) 2.612 8.353 ( 0.744 -0.159 0.694) 1.030 8.500 ( -0.595 -2.125 -0.255) 2.222 8.965 ( -0.101 -3.721 -0.676) 3.783 9.194 ( 0.475 -4.383 -0.585) 4.448 9.245 ( 0.563 -3.676 1.239) 3.920 9.326 ( 0.574 -4.580 0.056) 4.616 12.286 ( 0.396 -1.987 -0.206) 2.037 12.292 ( -0.531 -1.990 0.216) 2.070 12.336 ( 0.247 -0.602 -0.064) 0.654 12.376 ( -0.139 -1.291 0.148) 1.307 15.490 ( -0.365 4.713 -0.052) 4.727 15.542 ( -0.685 7.539 -0.081) 7.571 15.634 ( -0.712 2.422 -0.709) 2.623 15.844 ( 0.446 2.891 0.516) 2.970 16.074 ( -0.144 -0.827 -0.475) 0.964 16.117 ( 0.843 0.415 0.915) 1.312 16.285 ( 0.618 -3.781 -1.019) 3.964 16.338 ( 0.866 -1.174 -1.303) 1.956 17.939 ( 0.344 -1.890 -0.911) 2.126 18.083 ( -2.248 -3.044 3.600) 5.223 18.234 ( 8.506 -2.990 4.725) 10.179 18.437 ( -9.270 -4.883 -3.111) 10.930 ======================= Grid point 14 (9/90) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( 0.000 19.010 0.000) 19.010 0.784 ( 0.000 18.399 0.000) 18.399 1.244 ( 0.000 17.191 0.000) 17.191 1.403 ( 0.000 4.624 0.000) 4.624 1.439 ( 0.000 3.318 0.000) 3.318 1.738 ( 0.000 6.641 0.000) 6.641 1.810 ( 0.000 3.126 0.000) 3.126 2.079 ( 0.000 -6.835 0.000) 6.835 2.138 ( 0.000 -2.891 0.000) 2.891 2.283 ( 0.000 -0.119 0.000) 0.119 2.485 ( 0.000 -0.409 0.000) 0.409 2.574 ( 0.000 -3.612 0.000) 3.612 2.598 ( 0.000 2.591 0.000) 2.591 2.843 ( 0.000 -3.167 0.000) 3.167 2.849 ( 0.000 0.388 0.000) 0.388 2.953 ( 0.000 -0.774 0.000) 0.774 3.774 ( 0.000 -2.183 0.000) 2.183 3.952 ( 0.000 -2.031 0.000) 2.031 3.977 ( 0.000 -5.547 0.000) 5.547 4.083 ( 0.000 1.445 0.000) 1.445 4.120 ( 0.000 -2.564 0.000) 2.564 4.201 ( 0.000 -3.342 0.000) 3.342 4.493 ( 0.000 5.871 0.000) 5.871 4.578 ( 0.000 -0.029 0.000) 0.029 4.602 ( 0.000 0.644 0.000) 0.644 4.752 ( 0.000 -1.336 0.000) 1.336 4.810 ( 0.000 11.971 0.000) 11.971 4.911 ( 0.000 7.894 0.000) 7.894 5.187 ( 0.000 12.336 0.000) 12.336 5.387 ( 0.000 9.725 0.000) 9.725 5.528 ( 0.000 7.536 0.000) 7.536 5.592 ( 0.000 1.743 0.000) 1.743 5.697 ( 0.000 0.227 0.000) 0.227 5.856 ( 0.000 2.177 0.000) 2.177 5.982 ( 0.000 4.430 0.000) 4.430 6.280 ( 0.000 -3.011 0.000) 3.011 6.325 ( 0.000 8.047 0.000) 8.047 6.432 ( 0.000 7.706 0.000) 7.706 6.794 ( 0.000 -1.977 0.000) 1.977 6.948 ( 0.000 -2.056 0.000) 2.056 7.308 ( 0.000 5.506 0.000) 5.506 7.468 ( 0.000 -0.231 0.000) 0.231 7.492 ( 0.000 -1.664 0.000) 1.664 7.542 ( 0.000 0.258 0.000) 0.258 7.657 ( 0.000 -1.390 0.000) 1.390 7.723 ( 0.000 -2.498 0.000) 2.498 7.903 ( 0.000 3.185 0.000) 3.185 8.151 ( 0.000 -3.156 0.000) 3.156 8.198 ( 0.000 -1.003 0.000) 1.003 8.253 ( 0.000 -1.602 0.000) 1.602 8.352 ( 0.000 0.371 0.000) 0.371 8.496 ( 0.000 -2.760 0.000) 2.760 8.978 ( 0.000 -3.615 0.000) 3.615 9.017 ( 0.000 -6.343 0.000) 6.343 9.048 ( 0.000 -4.667 0.000) 4.667 9.162 ( 0.000 -6.500 0.000) 6.500 12.259 ( 0.000 -1.833 0.000) 1.833 12.262 ( 0.000 -2.187 0.000) 2.187 12.294 ( 0.000 -1.522 0.000) 1.522 12.329 ( 0.000 -2.422 0.000) 2.422 15.641 ( 0.000 5.967 0.000) 5.967 15.755 ( 0.000 2.917 0.000) 2.917 15.872 ( 0.000 4.556 0.000) 4.556 15.937 ( 0.000 -0.432 0.000) 0.432 16.063 ( 0.000 -2.835 0.000) 2.835 16.141 ( 0.000 -4.304 0.000) 4.304 16.209 ( 0.000 0.782 0.000) 0.782 16.230 ( 0.000 -2.220 0.000) 2.220 17.877 ( 0.000 -0.396 0.000) 0.396 17.923 ( 0.000 -2.463 0.000) 2.463 17.943 ( 0.000 1.034 0.000) 1.034 18.573 ( 0.000 -11.459 0.000) 11.459 ======================= Grid point 15 (10/90) ======================= q-point: ( 0.14 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 5.685 15.117 4.314) 16.717 0.790 ( -2.520 17.269 5.311) 18.242 1.243 ( 0.634 15.185 -1.373) 15.260 1.375 ( 6.012 5.507 -13.293) 15.594 1.443 ( -6.473 3.829 9.903) 12.435 1.730 ( -2.428 5.775 2.948) 6.924 1.821 ( 2.680 3.620 -2.823) 5.316 2.074 ( -0.013 -6.954 -0.846) 7.005 2.136 ( -0.150 -2.382 0.009) 2.386 2.280 ( -0.509 0.010 0.339) 0.612 2.481 ( -1.387 -0.391 1.862) 2.355 2.582 ( 1.431 -3.221 -1.391) 3.789 2.597 ( -0.333 2.337 0.323) 2.383 2.829 ( -0.263 0.013 -1.571) 1.593 2.851 ( -0.830 -2.099 1.631) 2.785 2.949 ( 0.052 -0.717 -0.788) 1.066 3.779 ( 0.269 -1.786 0.290) 1.829 3.954 ( 0.048 -2.181 0.391) 2.217 3.982 ( 0.088 -5.480 0.621) 5.516 4.086 ( 0.085 1.110 0.216) 1.134 4.110 ( -0.428 -2.648 -1.008) 2.865 4.206 ( -0.450 -3.276 1.471) 3.619 4.490 ( -0.071 5.783 -0.246) 5.788 4.575 ( 0.111 0.522 -0.753) 0.923 4.609 ( -0.585 0.300 2.140) 2.239 4.743 ( 0.058 -1.269 -1.643) 2.077 4.802 ( -0.658 11.860 -0.316) 11.883 4.899 ( -1.366 8.339 0.255) 8.454 5.192 ( 0.603 12.197 -0.151) 12.213 5.395 ( 0.833 10.193 0.068) 10.227 5.529 ( 0.294 7.695 -0.227) 7.704 5.594 ( 0.412 2.834 -0.530) 2.913 5.709 ( 0.701 -0.179 0.990) 1.226 5.848 ( -0.316 2.639 -0.355) 2.681 5.957 ( -1.726 5.224 -1.198) 5.631 6.239 ( 0.042 -0.676 -5.365) 5.407 6.337 ( -1.757 5.967 3.261) 7.023 6.427 ( -0.565 7.566 0.160) 7.589 6.820 ( 1.669 -2.194 1.693) 3.236 6.928 ( -1.443 -1.972 -1.230) 2.736 7.312 ( 0.165 5.605 0.494) 5.629 7.461 ( -1.607 0.082 -0.391) 1.656 7.471 ( -0.193 -0.147 -1.242) 1.266 7.542 ( -0.148 0.163 0.336) 0.402 7.657 ( -0.095 -1.096 0.167) 1.113 7.721 ( 0.407 -2.317 -0.897) 2.517 7.887 ( -1.091 3.190 -0.660) 3.435 8.153 ( -0.459 -3.190 1.128) 3.414 8.197 ( 1.001 -1.116 -1.746) 2.302 8.261 ( -0.009 -2.074 1.465) 2.539 8.346 ( -0.816 0.401 0.287) 0.953 8.487 ( -0.873 -2.776 -0.079) 2.912 8.939 ( -1.664 -3.668 -1.561) 4.320 9.046 ( 1.907 -6.584 -0.195) 6.858 9.069 ( 1.412 -4.895 1.230) 5.241 9.173 ( 1.044 -6.596 0.122) 6.680 12.253 ( -0.239 -1.754 -0.390) 1.812 12.261 ( -0.503 -2.277 0.488) 2.383 12.297 ( 0.522 -1.573 -0.239) 1.675 12.333 ( 0.194 -2.437 0.261) 2.459 15.633 ( -0.837 6.055 0.122) 6.114 15.746 ( -0.703 2.898 -0.685) 3.060 15.864 ( -2.373 3.105 1.260) 4.106 15.913 ( -3.975 3.238 -1.756) 5.419 16.009 ( -0.886 -0.168 1.105) 1.427 16.136 ( -1.883 -0.521 1.370) 2.386 16.186 ( 2.493 -3.454 -3.934) 5.798 16.274 ( 4.690 -2.224 -4.364) 6.782 17.898 ( -0.628 -2.038 2.686) 3.430 17.930 ( 1.621 -1.237 0.732) 2.166 17.975 ( 0.015 -0.923 4.806) 4.894 18.542 ( -3.308 -10.934 -0.505) 11.435 ======================= Grid point 16 (11/90) ======================= q-point: ( 0.29 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 5.765 10.181 4.280) 12.458 0.810 ( -2.354 14.212 6.154) 15.665 1.233 ( 0.505 11.395 -2.307) 11.637 1.340 ( 5.329 7.177 -11.917) 14.897 1.425 ( -5.941 4.968 7.869) 11.041 1.728 ( -2.054 4.485 4.050) 6.382 1.833 ( 2.385 3.791 -3.450) 5.654 2.064 ( 0.211 -6.476 -1.307) 6.610 2.137 ( -0.097 -2.074 0.628) 2.169 2.273 ( -0.617 0.538 0.348) 0.889 2.483 ( -0.849 -0.237 2.236) 2.403 2.583 ( -0.056 -0.899 -0.631) 1.100 2.594 ( 0.187 0.224 -0.803) 0.854 2.813 ( -0.196 1.132 -0.421) 1.224 2.854 ( -0.409 -2.544 0.974) 2.754 2.939 ( 0.002 -0.628 -1.051) 1.225 3.786 ( 0.185 -0.850 0.184) 0.889 3.962 ( 0.233 -2.454 0.603) 2.538 3.991 ( 0.017 -5.157 0.767) 5.214 4.089 ( 0.099 0.316 -0.166) 0.370 4.090 ( -0.615 -2.508 -0.767) 2.694 4.212 ( -0.762 -3.153 1.481) 3.566 4.488 ( 0.090 5.873 -0.191) 5.876 4.566 ( -0.456 1.317 -0.277) 1.421 4.622 ( -0.437 -0.006 1.842) 1.894 4.724 ( 0.252 -1.079 -2.137) 2.407 4.785 ( -0.871 11.651 -0.212) 11.685 4.878 ( -1.251 8.573 0.387) 8.673 5.202 ( 0.600 11.925 -0.154) 11.941 5.413 ( 0.993 11.118 -0.032) 11.162 5.532 ( 0.409 7.906 -0.445) 7.929 5.589 ( -0.171 5.860 -0.774) 5.914 5.739 ( 1.091 -1.175 1.301) 2.065 5.852 ( 0.788 1.335 0.265) 1.573 5.915 ( -1.387 6.210 -0.829) 6.417 6.191 ( 0.830 -0.882 -4.780) 4.932 6.326 ( -2.596 6.632 2.178) 7.448 6.417 ( -0.866 7.358 0.384) 7.419 6.869 ( 0.488 -1.991 0.365) 2.082 6.881 ( -0.832 -2.306 -0.442) 2.491 7.322 ( 0.197 5.831 0.664) 5.872 7.419 ( -1.208 2.306 -1.436) 2.973 7.465 ( -0.318 -0.327 0.115) 0.470 7.543 ( -0.221 -0.217 0.463) 0.556 7.657 ( -0.112 -0.509 0.092) 0.529 7.721 ( 0.604 -1.966 -0.863) 2.230 7.863 ( -0.865 2.683 -0.536) 2.870 8.156 ( -0.801 -3.119 1.449) 3.532 8.196 ( 1.363 -1.347 -2.331) 3.017 8.275 ( -0.631 -3.028 1.523) 3.448 8.339 ( -0.063 0.602 0.483) 0.775 8.468 ( -1.006 -2.852 -0.356) 3.045 8.903 ( -0.659 -3.777 -1.478) 4.109 9.069 ( 1.168 -7.037 -0.568) 7.156 9.113 ( 1.381 -5.298 2.080) 5.857 9.194 ( 1.141 -6.754 -0.042) 6.850 12.246 ( -0.111 -1.804 -0.260) 1.826 12.255 ( -0.620 -2.301 0.354) 2.409 12.305 ( 0.599 -1.670 -0.186) 1.784 12.338 ( 0.045 -2.374 0.255) 2.388 15.618 ( -0.992 6.261 0.192) 6.342 15.715 ( -1.162 2.838 -1.680) 3.497 15.761 ( -5.718 5.858 -0.806) 8.226 15.892 ( 0.135 3.492 1.275) 3.720 16.045 ( 1.709 -0.447 0.829) 1.951 16.119 ( -0.558 1.076 0.455) 1.295 16.195 ( 2.189 -4.518 -2.786) 5.742 16.296 ( 2.432 -2.246 -2.826) 4.353 17.900 ( 0.070 -2.259 -0.444) 2.304 17.986 ( -0.454 -3.882 5.037) 6.376 18.040 ( 2.896 -0.913 4.067) 5.076 18.451 ( -5.763 -9.340 -1.511) 11.079 ======================= Grid point 17 (12/90) ======================= q-point: ( 0.43 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 2.234 7.146 1.594) 7.655 0.831 ( -0.666 11.767 2.568) 12.062 1.218 ( 0.029 10.426 -1.123) 10.486 1.312 ( 1.696 7.401 -4.244) 8.698 1.414 ( -1.836 5.311 2.529) 6.163 1.739 ( -0.872 3.730 2.356) 4.497 1.830 ( 0.930 3.470 -2.009) 4.116 2.056 ( 0.189 -5.650 -0.644) 5.690 2.143 ( 0.008 -2.362 0.507) 2.416 2.267 ( -0.330 1.380 0.061) 1.420 2.496 ( -0.055 0.039 1.142) 1.144 2.574 ( -0.499 -2.950 0.141) 2.995 2.586 ( 0.179 2.108 -0.955) 2.322 2.811 ( 0.060 1.276 0.057) 1.279 2.856 ( -0.137 -2.469 0.329) 2.495 2.930 ( -0.024 -0.623 -0.515) 0.808 3.789 ( 0.036 -0.094 0.025) 0.104 3.972 ( 0.153 -2.625 0.301) 2.646 3.998 ( 0.000 -4.800 0.361) 4.813 4.074 ( -0.270 -2.769 -0.396) 2.810 4.089 ( 0.021 0.262 -0.047) 0.267 4.213 ( -0.396 -3.080 0.603) 3.163 4.489 ( 0.143 6.221 -0.010) 6.223 4.556 ( -0.358 1.716 -0.051) 1.754 4.630 ( -0.164 -0.028 0.653) 0.673 4.711 ( 0.168 -1.065 -0.965) 1.447 4.772 ( -0.399 11.473 -0.045) 11.480 4.866 ( -0.468 8.394 0.178) 8.409 5.208 ( 0.240 11.697 -0.055) 11.699 5.425 ( 0.429 11.724 -0.054) 11.732 5.533 ( 0.161 7.834 -0.320) 7.842 5.579 ( -0.179 8.137 -0.256) 8.143 5.766 ( 0.589 -2.075 0.605) 2.240 5.859 ( -0.093 0.670 -0.267) 0.727 5.906 ( 0.245 5.623 0.366) 5.640 6.169 ( 0.729 -1.927 -2.002) 2.873 6.305 ( -1.409 7.951 0.861) 8.121 6.408 ( -0.433 7.336 0.209) 7.352 6.828 ( -1.111 -1.372 -0.953) 2.007 6.911 ( 0.740 -2.944 0.700) 3.115 7.331 ( 0.084 6.024 0.316) 6.033 7.395 ( -0.351 2.988 -0.522) 3.054 7.461 ( -0.175 -0.423 0.103) 0.469 7.544 ( -0.110 -0.578 0.209) 0.625 7.656 ( -0.031 -0.103 0.002) 0.108 7.722 ( 0.257 -1.641 -0.324) 1.692 7.848 ( -0.291 2.211 -0.197) 2.239 8.157 ( -0.389 -3.079 0.645) 3.170 8.195 ( 0.620 -1.418 -1.066) 1.879 8.272 ( -0.562 -3.070 0.478) 3.158 8.352 ( 0.444 0.122 0.491) 0.673 8.449 ( -0.556 -2.843 -0.334) 2.916 8.885 ( -0.154 -3.869 -0.590) 3.916 9.077 ( 0.376 -7.139 -0.268) 7.154 9.149 ( 0.539 -5.633 1.100) 5.764 9.208 ( 0.496 -6.932 -0.140) 6.951 12.244 ( 0.199 -1.976 -0.195) 1.995 12.248 ( -0.488 -2.193 0.231) 2.259 12.312 ( 0.269 -1.754 -0.059) 1.776 12.340 ( -0.027 -2.291 0.103) 2.294 15.605 ( -0.537 6.289 0.039) 6.312 15.685 ( 0.059 3.199 -1.632) 3.591 15.693 ( -2.320 5.831 0.666) 6.311 15.908 ( 0.158 2.925 0.693) 3.010 16.060 ( 0.173 -0.299 -0.314) 0.467 16.133 ( 0.427 1.323 1.184) 1.826 16.197 ( 0.840 -4.630 -1.518) 4.945 16.303 ( 0.724 -2.177 -0.914) 2.469 17.897 ( 0.170 -2.060 -0.408) 2.107 18.009 ( -0.907 -4.169 2.179) 4.790 18.166 ( 6.011 -3.514 3.872) 7.967 18.317 ( -6.729 -6.754 -2.912) 9.969 ======================= Grid point 21 (13/90) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 0.000 20.381 0.000) 20.381 1.105 ( 0.000 13.617 0.000) 13.617 1.359 ( 0.000 -0.303 0.000) 0.303 1.469 ( 0.000 -4.748 0.000) 4.748 1.540 ( 0.000 7.232 0.000) 7.232 1.822 ( 0.000 0.934 0.000) 0.934 1.836 ( 0.000 3.057 0.000) 3.057 1.921 ( 0.000 -9.186 0.000) 9.186 2.160 ( 0.000 4.006 0.000) 4.006 2.275 ( 0.000 -0.953 0.000) 0.953 2.469 ( 0.000 -0.999 0.000) 0.999 2.500 ( 0.000 -3.318 0.000) 3.318 2.657 ( 0.000 3.309 0.000) 3.309 2.782 ( 0.000 -2.938 0.000) 2.938 2.856 ( 0.000 0.606 0.000) 0.606 2.924 ( 0.000 -2.082 0.000) 2.082 3.769 ( 0.000 1.467 0.000) 1.467 3.881 ( 0.000 -4.127 0.000) 4.127 3.954 ( 0.000 1.821 0.000) 1.821 4.079 ( 0.000 -1.976 0.000) 1.976 4.082 ( 0.000 -1.009 0.000) 1.009 4.128 ( 0.000 -3.515 0.000) 3.515 4.593 ( 0.000 1.234 0.000) 1.234 4.596 ( 0.000 3.492 0.000) 3.492 4.615 ( 0.000 1.362 0.000) 1.362 4.708 ( 0.000 -2.430 0.000) 2.430 4.988 ( 0.000 6.298 0.000) 6.298 5.037 ( 0.000 4.285 0.000) 4.285 5.436 ( 0.000 11.287 0.000) 11.287 5.564 ( 0.000 5.427 0.000) 5.427 5.597 ( 0.000 -0.808 0.000) 0.808 5.626 ( 0.000 2.042 0.000) 2.042 5.745 ( 0.000 6.328 0.000) 6.328 5.916 ( 0.000 2.399 0.000) 2.399 6.095 ( 0.000 5.942 0.000) 5.942 6.228 ( 0.000 -2.230 0.000) 2.230 6.482 ( 0.000 7.908 0.000) 7.908 6.595 ( 0.000 8.710 0.000) 8.710 6.734 ( 0.000 -4.227 0.000) 4.227 6.884 ( 0.000 -4.683 0.000) 4.683 7.401 ( 0.000 2.971 0.000) 2.971 7.445 ( 0.000 -2.548 0.000) 2.548 7.462 ( 0.000 0.380 0.000) 0.380 7.537 ( 0.000 -0.909 0.000) 0.909 7.644 ( 0.000 0.100 0.000) 0.100 7.681 ( 0.000 -1.764 0.000) 1.764 7.969 ( 0.000 3.167 0.000) 3.167 8.083 ( 0.000 -3.474 0.000) 3.474 8.182 ( 0.000 -0.402 0.000) 0.402 8.217 ( 0.000 -1.803 0.000) 1.803 8.369 ( 0.000 1.213 0.000) 1.213 8.442 ( 0.000 -2.555 0.000) 2.555 8.909 ( 0.000 -3.072 0.000) 3.072 8.910 ( 0.000 -3.943 0.000) 3.943 8.970 ( 0.000 -2.701 0.000) 2.701 9.036 ( 0.000 -5.713 0.000) 5.713 12.223 ( 0.000 -1.474 0.000) 1.474 12.225 ( 0.000 -1.401 0.000) 1.401 12.268 ( 0.000 -0.933 0.000) 0.933 12.285 ( 0.000 -1.857 0.000) 1.857 15.754 ( 0.000 5.243 0.000) 5.243 15.809 ( 0.000 2.317 0.000) 2.317 15.931 ( 0.000 -0.165 0.000) 0.165 15.939 ( 0.000 1.863 0.000) 1.863 16.012 ( 0.000 -2.022 0.000) 2.022 16.045 ( 0.000 -4.790 0.000) 4.790 16.207 ( 0.000 -0.153 0.000) 0.153 16.218 ( 0.000 0.112 0.000) 0.112 17.866 ( 0.000 -0.585 0.000) 0.585 17.881 ( 0.000 -1.671 0.000) 1.671 18.000 ( 0.000 4.952 0.000) 4.952 18.341 ( 0.000 -11.596 0.000) 11.596 ======================= Grid point 22 (14/90) ======================= q-point: ( 0.14 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 2.366 18.817 2.039) 19.074 1.091 ( -2.184 12.829 1.324) 13.080 1.335 ( -0.224 -0.326 -3.498) 3.520 1.473 ( 1.252 -4.367 -1.453) 4.770 1.534 ( -1.592 7.382 1.359) 7.674 1.804 ( -2.202 2.324 1.379) 3.487 1.846 ( 1.388 1.060 -1.375) 2.223 1.918 ( 0.113 -9.009 -0.692) 9.036 2.161 ( -0.097 3.954 0.325) 3.968 2.274 ( -0.245 -0.859 0.360) 0.963 2.464 ( -1.424 -0.958 1.852) 2.525 2.506 ( 0.769 -3.595 -0.677) 3.738 2.660 ( 0.219 3.488 0.041) 3.495 2.785 ( 0.610 -2.834 -0.460) 2.935 2.851 ( -0.795 0.860 0.449) 1.254 2.922 ( 0.165 -1.968 -0.608) 2.067 3.779 ( 0.647 1.565 0.548) 1.780 3.888 ( 0.132 -3.962 1.000) 4.088 3.955 ( -0.228 1.725 0.613) 1.845 4.068 ( -0.085 -1.766 -1.522) 2.333 4.080 ( -0.542 -1.199 0.344) 1.360 4.133 ( -0.405 -3.730 1.277) 3.963 4.588 ( 0.308 2.552 -0.881) 2.718 4.600 ( -1.214 2.536 2.260) 3.607 4.618 ( 0.322 0.943 -0.067) 0.999 4.705 ( 0.880 -2.116 -2.086) 3.099 4.982 ( -0.650 6.479 -0.004) 6.511 5.031 ( -0.847 4.503 0.273) 4.590 5.437 ( 0.295 11.129 -0.307) 11.137 5.581 ( 2.160 4.970 -0.695) 5.463 5.610 ( 0.273 0.040 1.369) 1.396 5.629 ( 0.716 2.096 -0.118) 2.218 5.745 ( -0.317 5.734 0.439) 5.760 5.912 ( -0.187 2.646 -0.368) 2.678 6.080 ( -0.699 6.104 -1.238) 6.267 6.205 ( -0.937 -1.773 -2.185) 2.965 6.486 ( -0.321 8.175 1.016) 8.244 6.588 ( -0.782 8.504 -0.049) 8.540 6.755 ( 1.290 -4.587 1.382) 4.961 6.867 ( -1.281 -4.486 -0.985) 4.768 7.405 ( 0.156 2.748 0.470) 2.792 7.437 ( -0.727 -1.966 -0.084) 2.098 7.460 ( -0.131 0.362 -0.163) 0.418 7.536 ( -0.255 -0.924 0.260) 0.993 7.650 ( 0.703 0.290 -0.205) 0.787 7.684 ( 0.662 -1.509 -0.518) 1.728 7.957 ( -0.881 3.532 -0.616) 3.692 8.084 ( 0.126 -3.620 -0.052) 3.622 8.180 ( 0.201 -0.443 -0.691) 0.845 8.218 ( -0.142 -2.079 0.441) 2.130 8.363 ( -0.634 1.216 0.126) 1.377 8.434 ( -0.799 -2.488 -0.142) 2.617 8.878 ( -1.277 -2.219 -1.057) 2.770 8.929 ( 0.720 -4.910 -0.081) 4.963 8.986 ( 1.067 -2.962 0.975) 3.296 9.047 ( 0.916 -5.710 0.185) 5.786 12.222 ( -0.295 -1.430 0.212) 1.475 12.223 ( -0.197 -1.222 -0.110) 1.243 12.269 ( 0.218 -1.082 -0.160) 1.115 12.287 ( 0.162 -1.967 0.153) 1.979 15.746 ( -1.097 5.103 0.500) 5.243 15.799 ( -1.113 2.209 -0.374) 2.502 15.893 ( -3.538 0.277 0.809) 3.640 15.945 ( -1.739 -0.370 -0.377) 1.818 16.005 ( 1.623 0.333 0.507) 1.733 16.067 ( 1.852 -4.005 -0.288) 4.422 16.187 ( -0.590 1.486 -0.812) 1.793 16.240 ( 2.721 -1.309 -2.434) 3.878 17.868 ( -0.420 -0.881 0.829) 1.281 17.893 ( 0.365 -1.967 1.479) 2.487 18.012 ( 0.678 4.184 1.215) 4.409 18.322 ( -1.903 -10.852 -0.424) 11.026 ======================= Grid point 23 (15/90) ======================= q-point: ( 0.29 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 2.791 15.650 2.342) 16.068 1.064 ( -2.342 11.018 1.224) 11.331 1.292 ( 0.153 -0.881 -3.897) 3.999 1.478 ( 2.571 -2.957 -4.063) 5.645 1.515 ( -3.602 8.099 3.852) 9.664 1.786 ( -1.477 2.187 1.555) 3.063 1.847 ( 0.625 -0.419 -1.999) 2.136 1.913 ( 0.131 -8.817 -0.428) 8.828 2.164 ( -0.130 3.858 0.612) 3.908 2.275 ( -0.157 -0.687 0.466) 0.845 2.464 ( -1.115 -1.167 2.250) 2.769 2.506 ( 0.293 -3.803 -1.010) 3.946 2.663 ( 0.104 3.936 -0.049) 3.937 2.793 ( 0.889 -2.718 -0.569) 2.916 2.843 ( -0.837 1.245 0.813) 1.706 2.917 ( 0.106 -1.713 -0.830) 1.907 3.799 ( 0.797 1.919 0.598) 2.162 3.904 ( 0.185 -3.573 1.349) 3.824 3.959 ( -0.200 1.478 0.837) 1.710 4.050 ( 0.064 -1.177 -1.475) 1.888 4.072 ( -0.675 -1.697 0.213) 1.838 4.137 ( -0.647 -3.999 1.248) 4.239 4.587 ( 0.642 2.688 -0.941) 2.920 4.601 ( -1.863 3.020 3.078) 4.697 4.624 ( 0.359 0.295 -0.003) 0.465 4.695 ( 1.252 -1.595 -3.162) 3.757 4.969 ( -0.790 6.828 0.062) 6.873 5.016 ( -1.025 4.858 0.279) 4.973 5.439 ( 0.258 10.739 -0.396) 10.750 5.606 ( 1.798 1.015 -2.135) 2.970 5.632 ( 0.631 6.437 2.221) 6.838 5.655 ( 1.518 1.198 0.466) 1.989 5.743 ( -0.548 4.159 0.668) 4.247 5.906 ( 0.019 2.921 -0.268) 2.934 6.053 ( -0.726 6.268 -1.231) 6.429 6.163 ( -0.734 -1.232 -2.293) 2.705 6.488 ( -0.686 9.123 0.890) 9.192 6.571 ( -0.971 8.010 0.043) 8.069 6.796 ( 1.435 -5.346 1.390) 5.707 6.824 ( -1.844 -3.906 -1.477) 4.565 7.414 ( -0.072 1.926 0.907) 2.130 7.424 ( -0.220 -0.878 -0.636) 1.106 7.455 ( -0.436 0.707 0.115) 0.839 7.533 ( -0.388 -0.932 0.253) 1.040 7.660 ( 0.731 0.705 -0.276) 1.052 7.692 ( 0.888 -1.073 -0.532) 1.490 7.932 ( -0.989 4.047 -0.666) 4.219 8.085 ( 0.074 -3.894 -0.061) 3.895 8.175 ( 0.331 -0.538 -0.919) 1.115 8.219 ( -0.448 -2.517 0.520) 2.609 8.356 ( -0.362 1.011 0.339) 1.126 8.416 ( -0.926 -2.296 -0.291) 2.493 8.848 ( -0.754 -1.522 -1.051) 1.997 8.935 ( 0.345 -5.947 -0.262) 5.963 9.020 ( 1.192 -3.557 1.356) 3.989 9.066 ( 0.985 -5.655 0.104) 5.741 12.217 ( -0.399 -1.127 0.171) 1.208 12.219 ( -0.161 -1.122 -0.055) 1.135 12.272 ( 0.311 -1.375 -0.109) 1.414 12.291 ( 0.089 -2.144 0.124) 2.149 15.730 ( -1.397 4.589 0.479) 4.820 15.762 ( -1.932 1.862 -1.099) 2.900 15.826 ( -3.559 1.662 -0.317) 3.941 15.924 ( -1.123 -0.833 1.556) 2.092 16.049 ( 2.263 0.806 -0.065) 2.403 16.096 ( 1.425 -2.678 0.248) 3.044 16.175 ( 0.794 2.107 -1.646) 2.789 16.255 ( 1.590 -1.890 -1.726) 3.013 17.869 ( -0.021 -0.733 0.118) 0.743 17.917 ( -0.217 -2.997 2.414) 3.854 18.050 ( 1.745 2.046 1.997) 3.349 18.269 ( -3.205 -8.674 -1.047) 9.306 ======================= Grid point 24 (16/90) ======================= q-point: ( 0.43 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 0.709 12.516 0.365) 12.541 1.049 ( -0.411 10.485 0.985) 10.539 1.264 ( 0.125 -1.651 -1.617) 2.314 1.478 ( 2.658 -2.496 -4.257) 5.605 1.498 ( -3.227 9.934 4.171) 11.247 1.787 ( -0.510 1.529 1.524) 2.218 1.830 ( 0.150 -1.353 -1.896) 2.334 1.914 ( 0.074 -8.737 -0.023) 8.737 2.168 ( -0.057 3.781 0.373) 3.800 2.277 ( -0.028 -0.556 0.193) 0.589 2.472 ( -0.384 -1.707 1.415) 2.251 2.497 ( 0.020 -3.509 -0.939) 3.633 2.663 ( -0.007 4.326 -0.060) 4.326 2.801 ( 0.450 -2.858 -0.246) 2.903 2.840 ( -0.335 1.501 0.472) 1.608 2.910 ( 0.012 -1.499 -0.420) 1.556 3.814 ( 0.354 2.342 0.222) 2.379 3.918 ( 0.058 -3.233 0.668) 3.302 3.964 ( -0.044 1.176 0.385) 1.238 4.041 ( 0.234 -0.267 -0.726) 0.808 4.063 ( -0.447 -2.423 0.172) 2.470 4.138 ( -0.306 -4.054 0.507) 4.097 4.589 ( 0.402 2.080 -0.539) 2.186 4.602 ( -0.954 4.142 1.702) 4.579 4.629 ( 0.066 -0.045 0.175) 0.193 4.684 ( 0.667 -1.450 -1.833) 2.431 4.959 ( -0.352 7.055 0.043) 7.064 5.005 ( -0.456 5.037 0.116) 5.059 5.438 ( 0.088 10.413 -0.179) 10.415 5.608 ( 0.414 0.627 -0.711) 1.035 5.663 ( 0.713 8.698 0.625) 8.750 5.678 ( 0.621 1.563 0.212) 1.695 5.741 ( -0.308 2.237 0.390) 2.291 5.906 ( 0.089 3.012 -0.058) 3.014 6.035 ( -0.224 6.012 -0.414) 6.030 6.137 ( -0.212 -1.097 -0.921) 1.448 6.484 ( -0.383 9.934 0.299) 9.946 6.559 ( -0.417 7.708 0.068) 7.720 6.783 ( -0.962 -3.517 -0.765) 3.726 6.826 ( 0.615 -5.721 0.526) 5.778 7.414 ( -0.285 -0.439 0.140) 0.542 7.423 ( 0.251 1.267 -0.044) 1.292 7.450 ( -0.234 1.293 0.115) 1.319 7.529 ( -0.205 -0.935 0.091) 0.962 7.667 ( 0.299 1.021 -0.129) 1.071 7.700 ( 0.390 -0.828 -0.206) 0.938 7.914 ( -0.410 4.240 -0.269) 4.268 8.085 ( 0.004 -4.082 -0.026) 4.082 8.172 ( 0.183 -0.616 -0.433) 0.775 8.215 ( -0.314 -2.589 0.218) 2.617 8.358 ( 0.080 0.480 0.298) 0.570 8.399 ( -0.480 -2.006 -0.246) 2.077 8.831 ( -0.228 -1.280 -0.427) 1.369 8.937 ( 0.109 -6.484 -0.134) 6.486 9.048 ( 0.498 -4.067 0.718) 4.160 9.079 ( 0.401 -5.559 -0.059) 5.574 12.214 ( -0.152 -1.035 0.063) 1.048 12.216 ( -0.082 -0.956 -0.013) 0.959 12.276 ( 0.143 -1.592 -0.029) 1.599 12.293 ( 0.014 -2.233 0.043) 2.234 15.710 ( -0.925 3.696 0.097) 3.811 15.725 ( -0.871 1.443 -0.673) 1.815 15.785 ( -1.036 3.611 0.021) 3.757 15.927 ( -0.285 -1.538 0.817) 1.765 16.069 ( 0.547 1.119 -0.393) 1.306 16.120 ( 0.664 -2.135 0.467) 2.284 16.176 ( 0.648 2.276 -0.796) 2.497 16.260 ( 0.498 -2.048 -0.554) 2.180 17.870 ( 0.072 -0.527 -0.045) 0.534 17.932 ( -0.241 -3.459 1.072) 3.629 18.114 ( 2.956 -1.390 2.216) 3.948 18.194 ( -3.559 -5.318 -1.787) 6.644 ======================= Grid point 28 (17/90) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 0.000 -16.360 0.000) 16.360 1.220 ( 0.000 16.360 0.000) 16.360 1.305 ( 0.000 -7.143 0.000) 7.143 1.305 ( 0.000 7.143 0.000) 7.143 1.718 ( 0.000 -10.206 0.000) 10.206 1.718 ( 0.000 10.206 0.000) 10.206 1.857 ( 0.000 -0.685 0.000) 0.685 1.857 ( 0.000 0.685 0.000) 0.685 2.236 ( 0.000 -3.068 0.000) 3.068 2.236 ( 0.000 3.068 0.000) 3.068 2.461 ( 0.000 -0.572 0.000) 0.572 2.461 ( 0.000 0.572 0.000) 0.572 2.723 ( 0.000 -3.243 0.000) 3.243 2.723 ( 0.000 3.243 0.000) 3.243 2.881 ( 0.000 -1.934 0.000) 1.934 2.881 ( 0.000 1.934 0.000) 1.934 3.814 ( 0.000 -2.830 0.000) 2.830 3.814 ( 0.000 2.830 0.000) 2.830 4.012 ( 0.000 -3.858 0.000) 3.858 4.012 ( 0.000 3.858 0.000) 3.858 4.084 ( 0.000 -1.118 0.000) 1.118 4.084 ( 0.000 1.118 0.000) 1.118 4.611 ( 0.000 -0.306 0.000) 0.306 4.611 ( 0.000 0.306 0.000) 0.306 4.665 ( 0.000 -2.203 0.000) 2.203 4.665 ( 0.000 2.203 0.000) 2.203 5.066 ( 0.000 -1.439 0.000) 1.439 5.066 ( 0.000 1.439 0.000) 1.439 5.571 ( 0.000 -2.450 0.000) 2.450 5.571 ( 0.000 2.450 0.000) 2.450 5.620 ( 0.000 -2.113 0.000) 2.113 5.620 ( 0.000 2.113 0.000) 2.113 5.890 ( 0.000 -5.484 0.000) 5.484 5.890 ( 0.000 5.484 0.000) 5.484 6.183 ( 0.000 -2.917 0.000) 2.917 6.183 ( 0.000 2.917 0.000) 2.917 6.627 ( 0.000 -6.603 0.000) 6.603 6.627 ( 0.000 6.603 0.000) 6.603 6.761 ( 0.000 -7.727 0.000) 7.727 6.761 ( 0.000 7.727 0.000) 7.727 7.415 ( 0.000 -0.321 0.000) 0.321 7.415 ( 0.000 0.321 0.000) 0.321 7.503 ( 0.000 -2.478 0.000) 2.478 7.503 ( 0.000 2.478 0.000) 2.478 7.655 ( 0.000 -0.922 0.000) 0.922 7.655 ( 0.000 0.922 0.000) 0.922 8.023 ( 0.000 -2.620 0.000) 2.620 8.023 ( 0.000 2.620 0.000) 2.620 8.188 ( 0.000 -1.012 0.000) 1.012 8.188 ( 0.000 1.012 0.000) 1.012 8.399 ( 0.000 -1.859 0.000) 1.859 8.399 ( 0.000 1.859 0.000) 1.859 8.873 ( 0.000 -0.192 0.000) 0.192 8.873 ( 0.000 0.192 0.000) 0.192 8.959 ( 0.000 -1.783 0.000) 1.783 8.959 ( 0.000 1.783 0.000) 1.783 12.210 ( 0.000 -0.099 0.000) 0.099 12.210 ( 0.000 0.099 0.000) 0.099 12.262 ( 0.000 -0.389 0.000) 0.389 12.262 ( 0.000 0.389 0.000) 0.389 15.827 ( 0.000 -1.354 0.000) 1.354 15.827 ( 0.000 1.354 0.000) 1.354 15.936 ( 0.000 -1.131 0.000) 1.131 15.936 ( 0.000 1.131 0.000) 1.131 15.993 ( 0.000 -0.242 0.000) 0.242 15.993 ( 0.000 0.242 0.000) 0.242 16.213 ( 0.000 -0.486 0.000) 0.486 16.213 ( 0.000 0.486 0.000) 0.486 17.862 ( 0.000 -0.317 0.000) 0.317 17.862 ( 0.000 0.317 0.000) 0.317 18.137 ( 0.000 -8.924 0.000) 8.924 18.137 ( 0.000 8.924 0.000) 8.924 ======================= Grid point 30 (18/90) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 1.014 -14.898 0.105) 14.933 1.232 ( 1.014 14.898 0.105) 14.933 1.283 ( -1.882 -7.665 -0.331) 7.900 1.283 ( -1.882 7.665 -0.331) 7.900 1.716 ( 0.767 -10.231 -1.474) 10.365 1.716 ( 0.767 10.231 -1.474) 10.365 1.850 ( -1.243 -1.009 0.712) 1.752 1.850 ( -1.243 1.009 0.712) 1.752 2.236 ( -0.065 -3.070 0.163) 3.075 2.236 ( -0.065 3.070 0.163) 3.075 2.460 ( -0.594 -0.892 0.807) 1.341 2.460 ( -0.594 0.892 0.807) 1.341 2.727 ( 0.483 -3.225 -0.126) 3.263 2.727 ( 0.483 3.225 -0.126) 3.263 2.880 ( -0.014 -2.045 -0.215) 2.056 2.880 ( -0.014 2.045 -0.215) 2.056 3.824 ( 0.394 -2.753 1.024) 2.964 3.824 ( 0.394 2.753 1.024) 2.964 4.010 ( -0.223 -3.559 -0.029) 3.566 4.010 ( -0.223 3.559 -0.029) 3.566 4.081 ( -0.443 -1.401 0.213) 1.485 4.081 ( -0.443 1.401 0.213) 1.485 4.611 ( -0.702 -0.477 1.303) 1.555 4.611 ( -0.702 0.477 1.303) 1.555 4.665 ( 1.020 -2.218 -1.746) 3.001 4.665 ( 1.020 2.218 -1.746) 3.001 5.062 ( -0.567 -1.440 0.190) 1.559 5.062 ( -0.567 1.440 0.190) 1.559 5.576 ( 1.125 -2.981 -1.239) 3.418 5.576 ( 1.125 2.981 -1.239) 3.418 5.630 ( 0.292 -1.401 1.648) 2.183 5.630 ( 0.292 1.401 1.648) 2.183 5.888 ( -0.017 -5.504 -0.254) 5.510 5.888 ( -0.017 5.504 -0.254) 5.510 6.168 ( -0.733 -2.661 -1.465) 3.125 6.168 ( -0.733 2.661 -1.465) 3.125 6.639 ( 0.429 -7.051 1.307) 7.184 6.639 ( 0.429 7.051 1.307) 7.184 6.748 ( -0.888 -7.446 -0.719) 7.533 6.748 ( -0.888 7.446 -0.719) 7.533 7.414 ( -0.211 -0.146 0.095) 0.274 7.414 ( -0.211 0.146 0.095) 0.274 7.503 ( -0.169 -2.449 0.213) 2.464 7.503 ( -0.169 2.449 0.213) 2.464 7.661 ( 0.852 -0.828 -0.269) 1.218 7.661 ( 0.852 0.828 -0.269) 1.218 8.019 ( -0.194 -2.999 -0.410) 3.033 8.019 ( -0.194 2.999 -0.410) 3.033 8.186 ( -0.103 -1.093 -0.188) 1.113 8.186 ( -0.103 1.093 -0.188) 1.113 8.392 ( -0.681 -1.775 -0.013) 1.901 8.392 ( -0.681 1.775 -0.013) 1.901 8.866 ( -0.432 -1.284 -0.442) 1.424 8.866 ( -0.432 1.284 -0.442) 1.424 8.971 ( 0.900 -1.637 0.489) 1.931 8.971 ( 0.900 1.637 0.489) 1.931 12.209 ( -0.111 -0.103 0.061) 0.163 12.209 ( -0.111 0.103 0.061) 0.163 12.262 ( 0.040 -0.490 -0.018) 0.491 12.262 ( 0.040 0.490 -0.018) 0.491 15.815 ( -1.559 -1.329 0.352) 2.079 15.815 ( -1.559 1.329 0.352) 2.079 15.908 ( -2.619 -2.088 0.188) 3.355 15.908 ( -2.619 2.088 0.188) 3.355 16.020 ( 2.631 -1.139 -0.154) 2.871 16.020 ( 2.631 1.139 -0.154) 2.871 16.216 ( 0.824 -1.322 -1.053) 1.881 16.216 ( 0.824 1.322 -1.053) 1.881 17.866 ( -0.043 -0.674 0.748) 1.008 17.866 ( -0.043 0.674 0.748) 1.008 18.133 ( -0.488 -8.098 0.192) 8.115 18.133 ( -0.488 8.098 0.192) 8.115 ======================= Grid point 32 (19/90) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -1.089 -6.487 -2.049) 6.890 1.223 ( -1.089 6.487 -2.049) 6.890 1.273 ( 0.253 -13.996 1.666) 14.097 1.273 ( 0.253 13.996 1.666) 14.097 1.714 ( 1.101 -10.521 -1.805) 10.731 1.714 ( 1.101 10.521 -1.805) 10.731 1.831 ( -1.833 -1.428 0.912) 2.496 1.831 ( -1.833 1.428 0.912) 2.496 2.238 ( -0.007 -3.071 0.289) 3.085 2.238 ( -0.007 3.071 0.289) 3.085 2.458 ( -0.702 -0.930 0.908) 1.477 2.458 ( -0.702 0.930 0.908) 1.477 2.735 ( 0.530 -3.299 -0.158) 3.345 2.735 ( 0.530 3.299 -0.158) 3.345 2.877 ( -0.025 -2.106 -0.254) 2.121 2.877 ( -0.025 2.106 -0.254) 2.121 3.846 ( 0.552 -2.619 1.314) 2.982 3.846 ( 0.552 2.619 1.314) 2.982 4.006 ( -0.093 -3.023 -0.155) 3.029 4.006 ( -0.093 3.023 -0.155) 3.029 4.075 ( -0.626 -2.030 0.399) 2.162 4.075 ( -0.626 2.030 0.399) 2.162 4.615 ( -1.081 -0.714 2.223) 2.573 4.615 ( -1.081 0.714 2.223) 2.573 4.662 ( 1.466 -2.045 -2.835) 3.791 4.662 ( 1.466 2.045 -2.835) 3.791 5.052 ( -0.743 -1.391 0.221) 1.592 5.052 ( -0.743 1.391 0.221) 1.592 5.579 ( 0.755 -3.641 -1.281) 3.933 5.579 ( 0.755 3.641 -1.281) 3.933 5.661 ( 0.868 -0.597 1.822) 2.105 5.661 ( 0.868 0.597 1.822) 2.105 5.886 ( 0.160 -5.621 -0.254) 5.629 5.886 ( 0.160 5.621 -0.254) 5.629 6.136 ( -0.783 -2.260 -1.556) 2.853 6.136 ( -0.783 2.260 -1.556) 2.853 6.662 ( 0.105 -7.971 1.652) 8.141 6.662 ( 0.105 7.971 1.652) 8.141 6.720 ( -0.932 -6.532 -1.280) 6.721 6.720 ( -0.932 6.532 -1.280) 6.721 7.411 ( -0.225 -0.306 0.129) 0.401 7.411 ( -0.225 0.306 0.129) 0.401 7.502 ( -0.212 -2.322 0.233) 2.343 7.502 ( -0.212 2.322 0.233) 2.343 7.675 ( 0.967 -0.745 -0.301) 1.258 7.675 ( 0.967 0.745 -0.301) 1.258 8.010 ( -0.294 -3.817 -0.510) 3.862 8.010 ( -0.294 3.817 -0.510) 3.862 8.181 ( -0.144 -1.180 -0.242) 1.213 8.181 ( -0.144 1.180 -0.242) 1.213 8.379 ( -0.689 -1.458 0.030) 1.613 8.379 ( -0.689 1.458 0.030) 1.613 8.853 ( -0.401 -2.226 -0.535) 2.324 8.853 ( -0.401 2.226 -0.535) 2.324 8.995 ( 0.990 -1.237 0.613) 1.699 8.995 ( 0.990 1.237 0.613) 1.699 12.207 ( -0.134 -0.128 0.076) 0.201 12.207 ( -0.134 0.128 0.076) 0.201 12.263 ( 0.040 -0.555 -0.017) 0.556 12.263 ( 0.040 0.555 -0.017) 0.556 15.779 ( -2.388 -0.597 -0.415) 2.496 15.779 ( -2.388 0.597 -0.415) 2.496 15.872 ( -1.688 -3.387 0.788) 3.865 15.872 ( -1.688 3.387 0.788) 3.865 16.066 ( 2.417 -0.831 -0.081) 2.557 16.066 ( 2.417 0.831 -0.081) 2.557 16.218 ( 0.793 -1.996 -1.080) 2.404 16.218 ( 0.793 1.996 -1.080) 2.404 17.874 ( -0.055 -1.279 0.884) 1.556 17.874 ( -0.055 1.279 0.884) 1.556 18.126 ( -0.605 -5.703 0.257) 5.740 18.126 ( -0.605 5.703 0.257) 5.740 ======================= Grid point 34 (20/90) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -0.605 -6.073 -0.913) 6.171 1.189 ( -0.605 6.073 -0.913) 6.171 1.293 ( 0.292 -13.156 0.706) 13.178 1.293 ( 0.292 13.156 0.707) 13.178 1.716 ( 0.665 -10.924 -0.873) 10.979 1.716 ( 0.665 10.924 -0.873) 10.979 1.812 ( -1.010 -0.984 0.492) 1.493 1.812 ( -1.010 0.984 0.492) 1.493 2.241 ( 0.021 -3.037 0.157) 3.041 2.241 ( 0.021 3.037 0.157) 3.041 2.456 ( -0.298 -0.507 0.373) 0.696 2.456 ( -0.298 0.507 0.373) 0.696 2.740 ( 0.213 -3.482 -0.073) 3.489 2.740 ( 0.213 3.482 -0.073) 3.489 2.874 ( -0.015 -1.963 -0.108) 1.966 2.874 ( -0.015 1.963 -0.108) 1.966 3.864 ( 0.266 -2.544 0.597) 2.626 3.864 ( 0.266 2.544 0.597) 2.626 4.004 ( 0.033 -2.812 -0.134) 2.815 4.004 ( 0.033 2.812 -0.134) 2.815 4.070 ( -0.310 -2.609 0.252) 2.640 4.070 ( -0.310 2.609 0.252) 2.640 4.620 ( -0.686 -0.949 1.546) 1.939 4.620 ( -0.686 0.949 1.546) 1.939 4.656 ( 0.858 -1.577 -1.846) 2.575 4.656 ( 0.858 1.577 -1.846) 2.575 5.043 ( -0.350 -1.315 0.097) 1.365 5.043 ( -0.350 1.315 0.097) 1.365 5.577 ( 0.227 -3.860 -0.496) 3.898 5.577 ( 0.227 3.860 -0.496) 3.898 5.688 ( 0.417 -0.401 0.732) 0.933 5.688 ( 0.417 0.401 0.732) 0.933 5.888 ( 0.180 -5.762 -0.067) 5.766 5.888 ( 0.180 5.762 -0.067) 5.766 6.114 ( -0.316 -2.038 -0.620) 2.153 6.114 ( -0.316 2.038 -0.620) 2.153 6.671 ( -0.531 -8.188 0.745) 8.239 6.671 ( -0.531 8.189 0.745) 8.239 6.700 ( 0.072 -6.415 -0.694) 6.453 6.700 ( 0.072 6.415 -0.694) 6.453 7.409 ( -0.084 -0.509 0.065) 0.520 7.409 ( -0.084 0.509 0.065) 0.520 7.501 ( -0.101 -2.137 0.093) 2.141 7.501 ( -0.101 2.137 0.093) 2.141 7.685 ( 0.399 -0.752 -0.127) 0.861 7.685 ( 0.399 0.752 -0.127) 0.861 8.001 ( -0.152 -4.436 -0.227) 4.444 8.001 ( -0.152 4.436 -0.227) 4.444 8.177 ( -0.066 -1.144 -0.110) 1.151 8.177 ( -0.066 1.144 -0.110) 1.151 8.371 ( -0.253 -0.947 0.028) 0.981 8.371 ( -0.253 0.947 0.028) 0.981 8.844 ( -0.146 -2.720 -0.232) 2.734 8.844 ( -0.146 2.720 -0.232) 2.734 9.013 ( 0.411 -0.818 0.273) 0.955 9.013 ( 0.411 0.818 0.273) 0.955 12.206 ( -0.059 -0.160 0.034) 0.174 12.206 ( -0.059 0.160 0.034) 0.174 12.263 ( 0.015 -0.523 -0.006) 0.523 12.263 ( 0.015 0.523 -0.006) 0.523 15.740 ( -1.133 -0.174 -0.340) 1.195 15.740 ( -1.133 0.174 -0.340) 1.195 15.862 ( -0.473 -4.191 0.463) 4.243 15.862 ( -0.473 4.191 0.463) 4.243 16.094 ( 0.863 -1.160 -0.106) 1.449 16.094 ( 0.863 1.160 -0.106) 1.449 16.221 ( 0.368 -2.091 -0.355) 2.152 16.221 ( 0.368 2.091 -0.355) 2.152 17.880 ( -0.024 -1.640 0.378) 1.683 17.880 ( -0.024 1.640 0.378) 1.683 18.120 ( -0.268 -2.068 0.121) 2.089 18.120 ( -0.268 2.068 0.121) 2.089 ======================= Grid point 63 (21/90) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.219 ( 5.999 0.000 13.086) 14.395 0.370 ( -8.934 0.000 18.949) 20.950 0.770 ( -16.239 0.000 37.544) 40.905 1.167 ( 5.771 0.000 -15.707) 16.733 1.272 ( 7.451 0.000 -11.842) 13.991 1.619 ( -3.784 0.000 5.900) 7.009 1.695 ( -6.165 0.000 10.278) 11.985 2.227 ( 1.935 0.000 -5.364) 5.702 2.229 ( 0.437 0.000 -1.234) 1.309 2.313 ( -3.741 0.000 4.285) 5.689 2.408 ( 5.500 0.000 -5.356) 7.678 2.558 ( -1.686 0.000 2.932) 3.382 2.562 ( 2.921 0.000 -4.186) 5.105 2.775 ( -0.497 0.000 1.830) 1.896 2.916 ( -0.916 0.000 0.302) 0.964 2.960 ( 0.045 0.000 -0.191) 0.196 3.886 ( -0.234 0.000 0.219) 0.321 3.988 ( -0.549 0.000 -0.012) 0.549 4.030 ( 2.663 0.000 -3.917) 4.736 4.112 ( 3.163 0.000 -4.331) 5.363 4.265 ( -1.139 0.000 2.051) 2.346 4.268 ( -3.318 0.000 0.978) 3.459 4.363 ( 0.429 0.000 0.541) 0.691 4.434 ( 0.572 0.000 -1.333) 1.451 4.508 ( -3.102 0.000 5.558) 6.366 4.599 ( -2.448 0.000 3.336) 4.138 4.779 ( 2.438 0.000 -2.162) 3.258 4.902 ( -3.166 0.000 1.867) 3.676 5.096 ( -4.599 0.000 -7.414) 8.725 5.154 ( 2.449 0.000 -3.955) 4.652 5.318 ( -1.502 0.000 3.568) 3.871 5.363 ( -3.716 0.000 1.759) 4.112 5.720 ( -0.098 0.000 2.670) 2.671 5.786 ( -3.768 0.000 -0.561) 3.809 5.960 ( -0.813 0.000 -3.143) 3.247 5.982 ( 2.367 0.000 -7.223) 7.601 6.277 ( -3.120 0.000 2.178) 3.805 6.378 ( 0.364 0.000 0.935) 1.003 6.854 ( -0.034 0.000 2.052) 2.053 6.975 ( -1.105 0.000 -0.914) 1.434 7.182 ( -0.479 0.000 0.728) 0.871 7.265 ( 0.612 0.000 -1.251) 1.393 7.474 ( -0.567 0.000 0.669) 0.877 7.524 ( 0.581 0.000 -0.389) 0.700 7.709 ( 0.626 0.000 0.753) 0.979 7.804 ( -0.244 0.000 -1.471) 1.491 7.843 ( -3.070 0.000 2.726) 4.106 8.116 ( 3.506 0.000 -6.103) 7.038 8.271 ( 0.963 0.000 0.900) 1.318 8.296 ( -2.395 0.000 2.374) 3.372 8.571 ( -0.490 0.000 1.487) 1.565 8.653 ( -0.604 0.000 -0.393) 0.721 9.071 ( -3.036 0.000 1.056) 3.214 9.150 ( 2.963 0.000 -1.038) 3.140 9.298 ( -15.070 0.000 0.732) 15.088 9.319 ( 0.398 0.000 0.545) 0.675 12.295 ( 0.290 0.000 -0.558) 0.628 12.306 ( 0.162 0.000 -0.567) 0.590 12.353 ( -0.702 0.000 1.252) 1.435 12.390 ( 0.534 0.000 0.143) 0.553 15.416 ( 0.036 0.000 1.047) 1.047 15.488 ( -0.318 0.000 -0.630) 0.706 15.694 ( -1.506 0.000 0.429) 1.566 15.730 ( 1.602 0.000 -0.472) 1.670 15.990 ( 0.834 0.000 1.578) 1.785 16.134 ( -1.547 0.000 -1.994) 2.524 16.284 ( -8.627 0.000 0.474) 8.640 16.307 ( -0.096 0.000 -0.212) 0.233 17.893 ( 2.814 0.000 0.616) 2.881 17.975 ( -2.385 0.000 -1.304) 2.719 18.760 ( -4.154 0.000 0.865) 4.244 18.831 ( 0.906 0.000 -0.832) 1.230 ======================= Grid point 64 (22/90) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( -6.225 0.000 16.657) 17.782 0.480 ( 8.223 0.000 9.968) 12.922 0.870 ( -16.121 0.000 32.784) 36.533 1.087 ( 6.066 0.000 -17.725) 18.734 1.275 ( 7.778 0.000 -12.463) 14.691 1.613 ( -3.583 0.000 5.377) 6.461 1.708 ( -5.452 0.000 10.969) 12.249 2.197 ( 1.642 0.000 -5.705) 5.937 2.228 ( 0.648 0.000 -0.976) 1.172 2.285 ( -4.279 0.000 3.771) 5.704 2.437 ( 3.851 0.000 -4.458) 5.891 2.553 ( -2.518 0.000 3.110) 4.001 2.577 ( 3.840 0.000 -4.441) 5.871 2.787 ( -0.134 0.000 1.246) 1.253 2.903 ( -0.972 0.000 0.384) 1.046 2.961 ( 0.249 0.000 0.025) 0.250 3.877 ( -0.830 0.000 0.083) 0.834 3.988 ( 0.913 0.000 -0.973) 1.335 4.027 ( 2.522 0.000 -5.219) 5.797 4.127 ( 2.989 0.000 -3.051) 4.271 4.235 ( -3.112 0.000 3.337) 4.563 4.261 ( -1.379 0.000 1.286) 1.886 4.375 ( 0.180 0.000 0.663) 0.687 4.428 ( 0.523 0.000 -1.522) 1.609 4.516 ( -3.315 0.000 6.298) 7.117 4.594 ( -2.596 0.000 3.875) 4.665 4.783 ( 0.776 0.000 -1.908) 2.060 4.830 ( -6.266 0.000 -0.172) 6.269 4.950 ( -5.676 0.000 3.894) 6.883 5.156 ( 2.456 0.000 -3.831) 4.551 5.330 ( -1.837 0.000 0.888) 2.041 5.330 ( -1.848 0.000 4.019) 4.423 5.762 ( 0.044 0.000 2.034) 2.035 5.768 ( 1.366 0.000 3.649) 3.896 5.905 ( -0.859 0.000 -3.831) 3.927 5.957 ( 3.890 0.000 -7.342) 8.309 6.258 ( -1.536 0.000 1.314) 2.021 6.380 ( -1.714 0.000 1.610) 2.352 6.900 ( 1.436 0.000 2.988) 3.315 6.929 ( -2.229 0.000 -1.846) 2.894 7.180 ( -0.709 0.000 1.071) 1.285 7.261 ( 0.498 0.000 -1.309) 1.400 7.470 ( -0.674 0.000 0.550) 0.870 7.532 ( 0.759 0.000 -0.258) 0.802 7.720 ( -0.893 0.000 1.468) 1.718 7.783 ( 0.169 0.000 -2.198) 2.204 7.826 ( -1.620 0.000 2.299) 2.813 8.122 ( 4.132 0.000 -5.568) 6.934 8.275 ( -2.199 0.000 1.400) 2.607 8.306 ( 1.396 0.000 1.530) 2.071 8.545 ( -9.944 0.000 4.934) 11.101 8.568 ( -1.574 0.000 1.146) 1.947 9.027 ( -1.488 0.000 -0.057) 1.490 9.204 ( 3.551 0.000 -0.235) 3.559 9.219 ( -1.284 0.000 2.472) 2.785 9.345 ( 1.047 0.000 1.690) 1.988 12.297 ( 0.459 0.000 -0.393) 0.604 12.305 ( 0.426 0.000 -0.557) 0.702 12.352 ( -0.826 0.000 0.998) 1.296 12.397 ( 0.056 0.000 0.040) 0.069 15.432 ( 0.255 0.000 1.471) 1.493 15.469 ( -0.663 0.000 -0.898) 1.116 15.663 ( -2.066 0.000 -0.264) 2.083 15.763 ( 2.092 0.000 0.062) 2.093 16.042 ( 2.211 0.000 2.584) 3.401 16.089 ( -0.116 0.000 -2.815) 2.817 16.263 ( 1.106 0.000 1.219) 1.647 16.311 ( 0.602 0.000 0.047) 0.604 17.922 ( -0.697 0.000 -3.359) 3.430 17.986 ( 5.841 0.000 2.484) 6.347 18.549 ( -18.706 0.000 10.911) 21.655 18.787 ( -4.908 0.000 -1.293) 5.076 ======================= Grid point 65 (23/90) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( -5.764 0.000 12.931) 14.158 0.689 ( 5.039 0.000 6.775) 8.443 0.894 ( -17.132 0.000 25.489) 30.712 1.020 ( 7.736 0.000 -16.378) 18.113 1.275 ( 7.826 0.000 -12.954) 15.135 1.616 ( -2.445 0.000 4.991) 5.558 1.735 ( -5.341 0.000 11.244) 12.448 2.170 ( 1.950 0.000 -4.805) 5.185 2.225 ( -1.595 0.000 1.652) 2.296 2.257 ( -2.225 0.000 2.236) 3.154 2.445 ( 3.433 0.000 -6.130) 7.026 2.540 ( -2.879 0.000 3.322) 4.396 2.593 ( 3.087 0.000 -3.765) 4.869 2.792 ( 0.233 0.000 -0.686) 0.724 2.895 ( -0.958 0.000 1.542) 1.816 2.967 ( 0.259 0.000 0.085) 0.273 3.862 ( -0.668 0.000 -0.304) 0.733 3.995 ( 1.222 0.000 -1.294) 1.779 4.010 ( 2.881 0.000 -6.455) 7.069 4.143 ( 2.147 0.000 -2.635) 3.399 4.230 ( -1.567 0.000 3.138) 3.508 4.247 ( -1.028 0.000 0.249) 1.058 4.381 ( -0.204 0.000 0.339) 0.395 4.421 ( 0.495 0.000 -1.305) 1.396 4.526 ( -3.895 0.000 7.090) 8.089 4.592 ( -2.498 0.000 4.136) 4.832 4.737 ( -3.924 0.000 0.202) 3.930 4.776 ( 0.419 0.000 -1.444) 1.504 4.932 ( -2.097 0.000 3.468) 4.053 5.157 ( 2.386 0.000 -3.751) 4.445 5.310 ( -1.264 0.000 0.496) 1.357 5.339 ( -2.225 0.000 4.073) 4.641 5.800 ( 1.310 0.000 1.676) 2.127 5.828 ( 0.972 0.000 2.918) 3.076 5.862 ( 0.161 0.000 -2.653) 2.658 5.967 ( 5.763 0.000 -6.407) 8.618 6.247 ( -1.213 0.000 1.116) 1.648 6.355 ( -3.835 0.000 2.729) 4.707 6.872 ( -1.884 0.000 -1.344) 2.314 6.948 ( 0.748 0.000 1.919) 2.059 7.180 ( -0.723 0.000 1.062) 1.285 7.256 ( 0.558 0.000 -1.275) 1.392 7.464 ( -0.673 0.000 0.614) 0.911 7.542 ( 0.641 0.000 -0.392) 0.751 7.709 ( -1.942 0.000 1.338) 2.358 7.764 ( 0.583 0.000 -2.298) 2.371 7.836 ( -0.668 0.000 2.841) 2.919 8.135 ( 3.663 0.000 -4.850) 6.078 8.256 ( -1.011 0.000 0.580) 1.165 8.343 ( 1.138 0.000 0.929) 1.469 8.453 ( -6.612 0.000 4.565) 8.034 8.544 ( -1.769 0.000 0.345) 1.803 9.013 ( -0.580 0.000 0.567) 0.811 9.233 ( 0.085 0.000 1.544) 1.547 9.250 ( 2.478 0.000 -1.602) 2.951 9.382 ( 0.333 0.000 2.561) 2.582 12.302 ( 0.443 0.000 -0.186) 0.480 12.308 ( 0.526 0.000 -0.448) 0.691 12.347 ( -0.707 0.000 0.701) 0.995 12.394 ( -0.296 0.000 -0.129) 0.323 15.451 ( -0.376 0.000 -0.713) 0.806 15.452 ( 0.116 0.000 1.238) 1.244 15.626 ( -1.747 0.000 0.160) 1.754 15.795 ( 1.583 0.000 -0.370) 1.626 16.067 ( 0.682 0.000 -2.220) 2.323 16.103 ( 1.494 0.000 1.844) 2.373 16.304 ( 2.179 0.000 0.865) 2.344 16.328 ( 0.501 0.000 1.241) 1.339 17.883 ( 1.107 0.000 -4.426) 4.563 18.141 ( 8.469 0.000 2.714) 8.893 18.383 ( -14.276 0.000 10.604) 17.783 18.631 ( -9.535 0.000 -4.124) 10.389 ======================= Grid point 66 (24/90) ======================= q-point: ( 0.43 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( -7.011 0.000 9.975) 12.192 0.769 ( -1.861 0.000 -0.465) 1.918 0.829 ( -17.859 0.000 22.809) 28.969 1.021 ( 9.918 0.000 -12.081) 15.631 1.273 ( 7.755 0.000 -12.793) 14.960 1.628 ( -2.374 0.000 4.599) 5.176 1.753 ( -6.180 0.000 10.693) 12.351 2.165 ( 2.546 0.000 -3.428) 4.270 2.218 ( -2.544 0.000 4.606) 5.262 2.256 ( -0.191 0.000 1.104) 1.121 2.424 ( 3.303 0.000 -8.706) 9.312 2.528 ( -2.546 0.000 3.458) 4.294 2.604 ( 2.345 0.000 -3.119) 3.902 2.784 ( 0.545 0.000 -1.708) 1.793 2.902 ( -0.810 0.000 2.439) 2.570 2.971 ( 0.054 0.000 0.062) 0.082 3.851 ( -0.005 0.000 -0.618) 0.618 3.996 ( 3.926 0.000 -6.940) 7.973 4.003 ( 1.062 0.000 -0.874) 1.375 4.141 ( 1.008 0.000 -2.785) 2.962 4.235 ( -0.167 0.000 -0.406) 0.439 4.246 ( -0.331 0.000 3.064) 3.082 4.376 ( -0.441 0.000 -0.113) 0.456 4.418 ( 0.603 0.000 -1.177) 1.323 4.528 ( -4.560 0.000 7.060) 8.404 4.596 ( -2.046 0.000 4.118) 4.599 4.688 ( -1.868 0.000 -0.353) 1.902 4.773 ( 0.413 0.000 -0.296) 0.508 4.938 ( -1.532 0.000 3.295) 3.634 5.158 ( 2.265 0.000 -3.693) 4.332 5.301 ( -0.545 0.000 0.913) 1.063 5.339 ( -2.386 0.000 3.405) 4.157 5.822 ( -0.271 0.000 0.256) 0.373 5.851 ( -0.916 0.000 1.112) 1.441 5.860 ( 1.388 0.000 -0.316) 1.423 6.010 ( 6.461 0.000 -6.036) 8.842 6.243 ( -0.685 0.000 1.447) 1.601 6.312 ( -4.644 0.000 3.577) 5.862 6.851 ( 0.127 0.000 0.609) 0.622 6.961 ( -0.700 0.000 0.311) 0.766 7.178 ( -0.716 0.000 0.916) 1.163 7.254 ( 0.749 0.000 -1.174) 1.393 7.461 ( -0.520 0.000 0.824) 0.974 7.544 ( 0.321 0.000 -0.713) 0.782 7.689 ( -1.464 0.000 0.704) 1.624 7.757 ( 1.192 0.000 -1.995) 2.324 7.853 ( -1.277 0.000 3.272) 3.512 8.141 ( 2.604 0.000 -4.470) 5.173 8.256 ( 0.536 0.000 0.251) 0.592 8.356 ( -0.050 0.000 -0.679) 0.681 8.409 ( -4.187 0.000 4.527) 6.166 8.526 ( -0.591 0.000 0.452) 0.745 9.019 ( -0.205 0.000 1.707) 1.719 9.253 ( 1.109 0.000 -3.509) 3.680 9.254 ( 0.088 0.000 2.270) 2.272 9.399 ( -1.163 0.000 1.752) 2.103 12.306 ( 0.154 0.000 -0.098) 0.182 12.313 ( 0.448 0.000 -0.286) 0.532 12.344 ( -0.438 0.000 0.548) 0.702 12.386 ( -0.193 0.000 -0.390) 0.435 15.443 ( 0.186 0.000 -0.363) 0.408 15.455 ( -0.670 0.000 0.021) 0.670 15.617 ( -0.385 0.000 1.897) 1.935 15.805 ( 0.574 0.000 -1.275) 1.398 16.067 ( 1.304 0.000 -0.850) 1.556 16.120 ( -0.493 0.000 -0.307) 0.581 16.352 ( -0.404 0.000 2.763) 2.792 16.357 ( 1.863 0.000 2.632) 3.224 17.867 ( 2.642 0.000 -4.755) 5.440 18.266 ( -10.972 0.000 8.135) 13.659 18.325 ( 9.477 0.000 1.226) 9.556 18.389 ( -9.788 0.000 -7.501) 12.331 ======================= Grid point 67 (25/90) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( -9.261 0.000 9.907) 13.561 0.628 ( -12.500 0.000 2.828) 12.816 0.765 ( -15.537 0.000 16.060) 22.345 1.094 ( 10.888 0.000 -9.216) 14.265 1.272 ( 7.462 0.000 -12.143) 14.253 1.626 ( -3.346 0.000 4.389) 5.518 1.747 ( -7.077 0.000 9.915) 12.182 2.184 ( 3.013 0.000 -2.432) 3.872 2.233 ( -0.543 0.000 2.375) 2.436 2.272 ( -1.163 0.000 4.442) 4.591 2.385 ( 3.608 0.000 -9.095) 9.784 2.527 ( -1.817 0.000 3.435) 3.886 2.603 ( 1.917 0.000 -4.111) 4.536 2.778 ( 0.589 0.000 -1.279) 1.408 2.915 ( -0.736 0.000 2.396) 2.507 2.970 ( -0.179 0.000 -0.000) 0.179 3.851 ( 0.778 0.000 -0.579) 0.970 3.999 ( 4.719 0.000 -6.644) 8.150 4.012 ( 0.798 0.000 -0.490) 0.936 4.124 ( 0.963 0.000 -3.400) 3.534 4.234 ( 0.136 0.000 0.334) 0.361 4.284 ( 0.895 0.000 2.989) 3.120 4.365 ( -0.516 0.000 -0.308) 0.601 4.415 ( 1.065 0.000 -2.166) 2.413 4.519 ( -4.588 0.000 6.366) 7.847 4.606 ( -1.762 0.000 3.718) 4.114 4.660 ( -1.321 0.000 0.543) 1.428 4.788 ( 0.449 0.000 1.815) 1.869 4.946 ( -1.680 0.000 3.375) 3.770 5.158 ( 2.222 0.000 -3.717) 4.331 5.310 ( 0.040 0.000 1.514) 1.514 5.329 ( -2.370 0.000 2.614) 3.529 5.800 ( -2.074 0.000 -0.255) 2.089 5.820 ( -3.012 0.000 -0.052) 3.012 5.895 ( 2.025 0.000 1.266) 2.388 6.050 ( 5.131 0.000 -6.214) 8.059 6.255 ( -0.191 0.000 2.146) 2.154 6.285 ( -2.398 0.000 3.503) 4.245 6.887 ( 1.884 0.000 2.148) 2.857 6.932 ( -1.973 0.000 -0.997) 2.211 7.175 ( -0.643 0.000 0.827) 1.048 7.257 ( 0.922 0.000 -1.078) 1.419 7.464 ( -0.325 0.000 1.026) 1.077 7.538 ( 0.061 0.000 -0.994) 0.996 7.676 ( -0.468 0.000 0.134) 0.487 7.763 ( 1.824 0.000 -1.683) 2.482 7.861 ( -1.920 0.000 3.585) 4.067 8.134 ( 2.297 0.000 -4.543) 5.091 8.275 ( 1.041 0.000 0.263) 1.074 8.330 ( -1.147 0.000 -1.766) 2.106 8.400 ( -3.056 0.000 5.454) 6.252 8.532 ( 0.369 0.000 0.621) 0.723 9.039 ( 0.010 0.000 2.293) 2.293 9.218 ( 0.077 0.000 -4.651) 4.651 9.288 ( -0.047 0.000 4.369) 4.369 9.382 ( -1.950 0.000 0.325) 1.977 12.305 ( -0.077 0.000 -0.178) 0.194 12.316 ( 0.191 0.000 -0.161) 0.250 12.344 ( -0.278 0.000 0.614) 0.674 12.381 ( 0.231 0.000 -0.552) 0.599 15.435 ( -0.968 0.000 -0.498) 1.089 15.450 ( 0.782 0.000 0.015) 0.783 15.646 ( 0.439 0.000 2.861) 2.895 15.788 ( -0.357 0.000 -2.109) 2.139 16.086 ( -2.064 0.000 -1.513) 2.559 16.092 ( 1.725 0.000 0.227) 1.740 16.363 ( -1.689 0.000 2.485) 3.004 16.428 ( 1.367 0.000 5.701) 5.862 17.871 ( 3.090 0.000 -3.894) 4.971 18.137 ( -7.674 0.000 -8.429) 11.399 18.172 ( -8.400 0.000 5.714) 10.159 18.511 ( 10.276 0.000 -0.393) 10.283 ======================= Grid point 68 (26/90) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.401 ( -11.503 0.000 12.792) 17.203 0.430 ( -11.683 0.000 -1.139) 11.739 0.659 ( -20.806 0.000 26.799) 33.928 1.178 ( 9.726 0.000 -9.663) 13.710 1.272 ( 7.064 0.000 -11.664) 13.636 1.614 ( -3.532 0.000 5.042) 6.156 1.725 ( -7.308 0.000 9.575) 12.045 2.212 ( 3.195 0.000 -2.593) 4.115 2.240 ( 0.266 0.000 -0.316) 0.413 2.306 ( -2.259 0.000 6.773) 7.140 2.365 ( 4.574 0.000 -7.991) 9.207 2.537 ( -1.167 0.000 3.224) 3.429 2.586 ( 1.761 0.000 -4.858) 5.168 2.774 ( -0.056 0.000 -0.411) 0.415 2.925 ( -0.771 0.000 1.785) 1.945 2.966 ( -0.225 0.000 -0.046) 0.230 3.864 ( 1.072 0.000 -0.263) 1.104 4.013 ( 4.208 0.000 -5.568) 6.980 4.017 ( 0.329 0.000 -0.616) 0.698 4.108 ( 2.068 0.000 -4.258) 4.734 4.245 ( -0.228 0.000 1.629) 1.644 4.333 ( 2.284 0.000 -0.346) 2.310 4.355 ( -0.282 0.000 -0.206) 0.349 4.410 ( 1.792 0.000 -2.792) 3.317 4.509 ( -3.953 0.000 5.702) 6.938 4.611 ( -1.919 0.000 3.167) 3.703 4.668 ( 0.105 0.000 3.955) 3.956 4.838 ( 0.609 0.000 7.149) 7.174 4.950 ( -1.920 0.000 3.441) 3.940 5.156 ( 2.306 0.000 -3.869) 4.504 5.316 ( -2.111 0.000 2.342) 3.152 5.332 ( -0.004 0.000 2.451) 2.451 5.760 ( -2.312 0.000 0.966) 2.506 5.761 ( -3.351 0.000 0.120) 3.354 5.950 ( 2.069 0.000 1.722) 2.692 6.050 ( 2.461 0.000 -5.827) 6.325 6.276 ( -0.740 0.000 3.088) 3.175 6.306 ( 1.079 0.000 2.069) 2.333 6.882 ( -2.131 0.000 -0.957) 2.336 6.945 ( 1.866 0.000 1.975) 2.717 7.174 ( -0.503 0.000 0.875) 1.009 7.262 ( 0.946 0.000 -1.064) 1.423 7.470 ( -0.287 0.000 1.057) 1.095 7.528 ( 0.062 0.000 -1.002) 1.004 7.676 ( 0.472 0.000 -0.074) 0.477 7.782 ( 1.990 0.000 -1.154) 2.300 7.865 ( -2.314 0.000 3.978) 4.602 8.128 ( 2.864 0.000 -4.747) 5.544 8.289 ( -1.214 0.000 -1.678) 2.071 8.292 ( 0.270 0.000 0.772) 0.818 8.418 ( -2.320 0.000 7.010) 7.383 8.545 ( 0.483 0.000 0.437) 0.652 9.063 ( -0.205 0.000 2.262) 2.271 9.167 ( -0.038 0.000 -4.403) 4.403 9.347 ( -1.735 0.000 -0.394) 1.779 9.353 ( 0.533 0.000 7.708) 7.727 12.301 ( -0.008 0.000 -0.348) 0.348 12.315 ( -0.069 0.000 -0.268) 0.277 12.347 ( -0.347 0.000 0.889) 0.955 12.383 ( 0.607 0.000 -0.479) 0.773 15.417 ( -0.673 0.000 -0.152) 0.690 15.469 ( 1.103 0.000 0.272) 1.136 15.683 ( 0.215 0.000 2.544) 2.553 15.754 ( -0.638 0.000 -2.375) 2.459 16.028 ( -2.462 0.000 -1.280) 2.775 16.125 ( 1.531 0.000 0.438) 1.592 16.347 ( -2.131 0.000 1.054) 2.378 16.529 ( 2.156 0.000 6.918) 7.247 17.904 ( 1.721 0.000 4.629) 4.939 17.959 ( -3.806 0.000 -5.956) 7.068 18.095 ( -6.260 0.000 3.643) 7.243 18.669 ( 8.889 0.000 -1.440) 9.004 ======================= Grid point 69 (27/90) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.196 ( -12.663 0.000 0.092) 12.664 0.355 ( -11.741 0.000 17.228) 20.848 0.664 ( -18.547 0.000 37.362) 41.712 1.208 ( 7.144 0.000 -12.472) 14.373 1.270 ( 7.091 0.000 -11.531) 13.537 1.615 ( -3.223 0.000 6.000) 6.810 1.703 ( -6.930 0.000 9.723) 11.940 2.234 ( 2.942 0.000 -3.722) 4.744 2.238 ( 0.214 0.000 -1.023) 1.045 2.325 ( -3.350 0.000 5.451) 6.398 2.373 ( 5.623 0.000 -6.950) 8.940 2.551 ( -1.122 0.000 2.894) 3.104 2.567 ( 1.950 0.000 -4.546) 4.946 2.770 ( -0.613 0.000 0.896) 1.086 2.925 ( -0.851 0.000 0.948) 1.274 2.962 ( -0.034 0.000 -0.204) 0.207 3.879 ( 0.697 0.000 0.135) 0.710 4.007 ( -0.661 0.000 -0.799) 1.037 4.023 ( 2.980 0.000 -4.181) 5.134 4.106 ( 3.202 0.000 -4.850) 5.812 4.258 ( -0.749 0.000 2.275) 2.395 4.321 ( 0.136 0.000 -4.757) 4.759 4.353 ( 0.189 0.000 0.133) 0.232 4.429 ( 1.765 0.000 -1.049) 2.053 4.505 ( -3.287 0.000 5.411) 6.331 4.607 ( -2.257 0.000 2.936) 3.704 4.738 ( 3.747 0.000 0.140) 3.750 4.923 ( -2.499 0.000 4.094) 4.797 5.042 ( 10.089 0.000 5.481) 11.481 5.155 ( 2.390 0.000 -4.014) 4.672 5.310 ( -1.635 0.000 2.805) 3.246 5.366 ( -0.222 0.000 4.255) 4.261 5.719 ( -2.125 0.000 1.249) 2.465 5.774 ( 1.782 0.000 3.837) 4.231 5.986 ( 0.655 0.000 -0.339) 0.738 6.020 ( 1.783 0.000 -6.318) 6.564 6.293 ( -1.808 0.000 3.997) 4.387 6.350 ( 1.652 0.000 1.039) 1.952 6.854 ( -0.540 0.000 0.107) 0.551 6.982 ( 0.558 0.000 0.646) 0.854 7.177 ( -0.174 0.000 0.933) 0.949 7.266 ( 0.808 0.000 -1.143) 1.400 7.474 ( -0.412 0.000 0.892) 0.982 7.522 ( 0.305 0.000 -0.699) 0.763 7.689 ( 0.941 0.000 0.121) 0.948 7.805 ( 1.415 0.000 -0.442) 1.483 7.862 ( -2.902 0.000 3.727) 4.724 8.127 ( 3.239 0.000 -6.001) 6.819 8.262 ( -0.231 0.000 -0.630) 0.671 8.301 ( -1.293 0.000 2.612) 2.914 8.509 ( 4.335 0.000 9.665) 10.593 8.559 ( 0.284 0.000 0.870) 0.915 9.078 ( -0.829 0.000 2.283) 2.428 9.135 ( 1.131 0.000 -2.920) 3.132 9.321 ( -0.780 0.000 -0.206) 0.807 9.467 ( 2.615 0.000 3.565) 4.421 12.298 ( 0.141 0.000 -0.522) 0.541 12.310 ( -0.019 0.000 -0.432) 0.432 12.351 ( -0.507 0.000 1.195) 1.299 12.387 ( 0.281 0.000 -0.567) 0.632 15.410 ( -0.289 0.000 0.442) 0.528 15.488 ( 0.673 0.000 0.056) 0.676 15.702 ( -0.585 0.000 1.554) 1.661 15.725 ( 0.197 0.000 -1.695) 1.706 15.986 ( -1.292 0.000 -0.020) 1.292 16.148 ( 0.682 0.000 -0.108) 0.690 16.321 ( -1.337 0.000 0.039) 1.338 16.554 ( -3.012 0.000 -11.332) 11.725 17.880 ( -0.297 0.000 -2.406) 2.425 18.031 ( -4.219 0.000 1.395) 4.444 18.231 ( 18.817 0.000 38.153) 42.541 18.783 ( 5.742 0.000 -1.389) 5.908 ======================= Grid point 70 (28/90) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.252 ( 5.916 6.562 10.367) 13.621 0.671 ( -3.362 18.073 14.448) 23.381 0.954 ( -13.984 18.370 25.119) 34.117 1.139 ( 4.595 -0.151 -14.502) 15.214 1.399 ( 5.684 9.278 -9.825) 14.660 1.620 ( -2.934 1.675 7.036) 7.805 1.787 ( -5.291 6.580 7.320) 11.175 2.184 ( 1.226 -4.415 -1.394) 4.789 2.224 ( -0.490 -1.829 -2.956) 3.511 2.266 ( -0.204 -2.194 1.206) 2.512 2.416 ( 4.545 0.483 -5.199) 6.922 2.579 ( -1.344 1.890 2.691) 3.552 2.589 ( 1.643 0.645 -4.072) 4.438 2.802 ( 0.822 1.341 -1.378) 2.091 2.907 ( -0.630 -1.171 0.984) 1.654 2.954 ( -0.327 -0.402 -0.432) 0.674 3.841 ( 0.148 -3.967 0.139) 3.972 3.992 ( 1.917 -1.698 -4.048) 4.790 4.010 ( 1.308 -2.615 -1.363) 3.226 4.081 ( 1.476 -0.606 -1.302) 2.059 4.226 ( -1.910 -3.262 1.311) 4.001 4.242 ( -1.438 -1.487 2.777) 3.463 4.390 ( 0.397 4.202 -0.443) 4.244 4.463 ( 2.273 0.984 -2.388) 3.441 4.588 ( -2.237 8.105 3.938) 9.284 4.676 ( -0.634 6.086 0.620) 6.150 4.727 ( 1.089 -4.497 0.669) 4.676 4.903 ( -5.281 -1.941 2.864) 6.313 5.026 ( -2.525 8.349 4.181) 9.673 5.229 ( 1.532 5.767 -2.302) 6.396 5.412 ( -1.715 5.416 1.965) 6.011 5.498 ( -0.872 7.506 -2.675) 8.016 5.685 ( 1.360 -0.789 -0.127) 1.577 5.839 ( -2.133 1.569 0.834) 2.776 5.898 ( 1.163 -1.183 -4.733) 5.015 6.090 ( 0.823 6.098 -6.313) 8.816 6.308 ( -1.332 3.455 0.965) 3.827 6.371 ( 0.073 -0.332 1.713) 1.746 6.845 ( 0.535 -0.734 2.405) 2.571 6.966 ( -1.028 -0.864 -0.883) 1.608 7.220 ( -0.386 4.091 1.139) 4.265 7.396 ( 0.259 7.374 -6.144) 9.602 7.474 ( -0.455 -0.102 0.578) 0.743 7.528 ( 0.663 0.390 -0.488) 0.911 7.695 ( 0.288 -1.280 0.840) 1.558 7.779 ( -0.508 -1.936 -0.318) 2.027 7.839 ( -1.665 -0.235 1.088) 2.003 8.098 ( 3.982 -1.611 -6.074) 7.439 8.267 ( -0.092 -0.393 1.348) 1.407 8.292 ( -1.345 -0.437 1.887) 2.358 8.506 ( -2.856 -7.455 6.386) 10.224 8.557 ( -0.499 -2.931 1.319) 3.253 9.047 ( -3.038 -2.390 0.906) 3.970 9.115 ( 2.693 -3.457 -0.911) 4.475 9.190 ( -6.234 -6.932 3.543) 9.973 9.274 ( 0.480 -4.444 0.178) 4.474 12.282 ( 0.114 -1.287 -0.484) 1.380 12.296 ( 0.297 -0.978 -0.488) 1.133 12.336 ( -0.690 -1.689 1.106) 2.134 12.372 ( 0.370 -1.706 0.088) 1.748 15.535 ( -0.328 4.536 -0.149) 4.550 15.676 ( 1.661 6.973 -6.742) 9.840 15.756 ( 2.343 7.644 -3.883) 8.888 15.792 ( 1.003 8.496 -4.401) 9.621 15.990 ( 1.320 0.179 0.759) 1.533 16.118 ( -1.345 -1.409 -1.832) 2.674 16.261 ( -6.404 -2.350 0.679) 6.856 16.282 ( -1.127 -2.240 -0.167) 2.513 17.894 ( 2.637 0.218 0.452) 2.684 17.957 ( -2.328 -1.702 -1.039) 3.066 18.367 ( -3.487 -21.619 21.018) 30.353 18.750 ( 0.930 -7.845 -1.510) 8.043 ======================= Grid point 71 (29/90) ======================= q-point: ( 0.14 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( 8.006 2.842 9.014) 12.387 0.756 ( -2.462 20.171 10.442) 22.847 0.973 ( -13.154 10.686 21.395) 27.294 1.067 ( 4.492 1.282 -12.352) 13.206 1.381 ( 4.523 8.168 -9.794) 13.531 1.643 ( -2.227 3.357 5.521) 6.835 1.783 ( -4.737 5.886 8.429) 11.319 2.182 ( -0.376 -1.999 -2.396) 3.143 2.193 ( 1.037 -4.068 -1.017) 4.320 2.264 ( -1.439 -0.693 0.845) 1.807 2.436 ( 3.744 0.026 -4.815) 6.099 2.576 ( -0.733 1.460 0.295) 1.660 2.585 ( 1.119 0.663 -1.340) 1.867 2.799 ( 0.038 0.615 -0.472) 0.776 2.904 ( -0.920 -0.235 0.891) 1.302 2.947 ( 0.031 -1.205 -0.268) 1.235 3.839 ( -0.644 -3.373 0.252) 3.443 3.984 ( 2.881 -2.177 -5.432) 6.523 4.016 ( 1.200 -1.973 -1.591) 2.804 4.092 ( 0.823 -0.949 -0.437) 1.330 4.211 ( -1.464 -2.236 1.519) 3.074 4.240 ( -1.752 -1.012 1.912) 2.784 4.392 ( 0.348 3.844 -0.369) 3.877 4.478 ( 1.580 1.430 -1.321) 2.508 4.590 ( -2.607 7.621 4.412) 9.183 4.670 ( -0.829 5.949 0.627) 6.039 4.740 ( -0.495 -4.403 0.536) 4.463 4.823 ( -5.269 1.287 1.249) 5.565 5.029 ( -2.235 9.221 4.121) 10.344 5.230 ( 1.500 6.176 -2.448) 6.811 5.394 ( -2.387 6.360 1.752) 7.015 5.449 ( -1.846 8.652 -0.508) 8.862 5.722 ( 2.374 -1.091 0.443) 2.650 5.830 ( -0.970 2.668 3.827) 4.765 5.861 ( 0.831 -1.260 -4.644) 4.883 6.038 ( 1.745 5.239 -6.679) 8.666 6.295 ( -1.063 3.607 0.518) 3.796 6.378 ( -1.591 0.266 1.909) 2.499 6.893 ( 1.104 -0.724 2.578) 2.896 6.924 ( -1.811 -0.655 -1.482) 2.430 7.226 ( -0.464 4.474 1.367) 4.702 7.337 ( -0.769 5.968 -2.943) 6.699 7.471 ( -0.510 0.065 0.489) 0.710 7.536 ( 0.715 0.286 -0.372) 0.855 7.704 ( -0.795 -1.527 1.398) 2.218 7.764 ( -0.410 -1.700 -0.678) 1.876 7.825 ( -0.696 0.069 0.475) 0.845 8.108 ( 4.249 -1.403 -5.630) 7.191 8.262 ( -2.089 -1.131 1.636) 2.885 8.309 ( 1.205 0.151 1.198) 1.706 8.479 ( -6.827 -5.178 5.704) 10.294 8.544 ( -1.670 -2.373 0.691) 2.982 8.994 ( -2.343 -2.975 0.242) 3.795 9.161 ( 1.806 -4.293 0.663) 4.705 9.181 ( 1.146 -3.508 1.289) 3.909 9.295 ( 1.158 -4.817 0.979) 5.050 12.278 ( 0.063 -1.508 -0.351) 1.550 12.299 ( 0.495 -0.891 -0.418) 1.101 12.334 ( -0.682 -1.704 0.853) 2.024 12.379 ( 0.198 -1.718 0.066) 1.731 15.520 ( -0.985 5.128 -0.191) 5.225 15.600 ( -1.413 10.617 -5.155) 11.887 15.707 ( -3.020 5.395 -0.324) 6.192 15.801 ( 1.767 3.580 0.036) 3.992 16.039 ( 2.095 -0.335 2.227) 3.076 16.082 ( 0.454 -0.505 -2.896) 2.974 16.240 ( 0.622 -2.356 1.322) 2.772 16.288 ( 0.975 -2.185 -0.049) 2.393 17.908 ( -0.733 -1.270 -2.879) 3.231 17.979 ( 5.373 -0.597 2.173) 5.826 18.391 ( -11.981 -12.576 13.825) 22.200 18.703 ( -4.197 -8.021 -2.283) 9.336 ======================= Grid point 72 (30/90) ======================= q-point: ( 0.29 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( 4.790 1.109 5.075) 7.066 0.800 ( -3.947 19.498 7.995) 21.440 0.946 ( -5.895 4.582 6.431) 9.854 1.048 ( 0.063 6.266 -0.057) 6.267 1.356 ( 4.357 6.767 -9.060) 12.118 1.659 ( -1.996 4.090 4.193) 6.188 1.800 ( -4.250 5.314 9.211) 11.452 2.160 ( 0.262 -1.640 -1.179) 2.036 2.204 ( 1.060 -3.921 -0.671) 4.117 2.237 ( -2.329 0.553 0.803) 2.525 2.442 ( 3.175 -0.044 -5.450) 6.308 2.561 ( -1.569 1.431 0.907) 2.309 2.594 ( 1.563 0.251 -1.463) 2.156 2.793 ( 0.243 0.061 -1.156) 1.183 2.898 ( -0.921 0.073 1.346) 1.632 2.948 ( 0.125 -1.675 0.133) 1.685 3.827 ( -0.767 -2.893 0.063) 2.993 3.974 ( 3.440 -2.689 -6.624) 7.933 4.019 ( 1.340 -0.966 -1.935) 2.544 4.099 ( 0.173 -1.866 0.085) 1.876 4.207 ( 0.533 -1.477 -1.210) 1.982 4.225 ( -3.012 -1.437 3.609) 4.915 4.393 ( 0.134 3.677 -0.201) 3.685 4.487 ( 1.083 1.900 -1.295) 2.542 4.591 ( -3.043 6.715 4.888) 8.846 4.663 ( -0.806 5.910 0.916) 6.035 4.716 ( -2.742 -2.424 0.763) 3.739 4.777 ( -1.113 1.602 0.316) 1.976 5.036 ( -1.956 9.879 3.965) 10.823 5.230 ( 1.548 6.752 -2.381) 7.325 5.378 ( -1.517 6.878 1.710) 7.248 5.424 ( -1.614 7.698 1.183) 7.954 5.766 ( 2.184 -1.669 0.011) 2.749 5.835 ( 0.879 -0.681 -2.857) 3.066 5.872 ( 0.115 1.718 3.902) 4.265 6.020 ( 4.206 4.138 -6.129) 8.507 6.282 ( -1.182 3.153 0.714) 3.442 6.358 ( -3.351 1.000 2.542) 4.323 6.864 ( -1.839 -0.717 -1.335) 2.383 6.944 ( 0.731 -0.682 1.883) 2.132 7.231 ( -0.708 4.881 1.372) 5.120 7.308 ( 0.037 4.660 -1.489) 4.892 7.467 ( -0.520 0.224 0.482) 0.743 7.542 ( 0.569 0.024 -0.545) 0.788 7.696 ( -1.727 -1.197 1.415) 2.533 7.754 ( 0.372 -1.158 -1.240) 1.737 7.827 ( -0.323 -0.543 1.450) 1.582 8.122 ( 3.698 -1.409 -4.944) 6.333 8.245 ( -1.096 -1.062 0.670) 1.667 8.342 ( 1.094 -0.136 0.777) 1.349 8.421 ( -5.778 -2.935 4.741) 8.030 8.519 ( -1.553 -2.388 0.124) 2.851 8.974 ( -0.798 -3.527 0.820) 3.708 9.186 ( 0.489 -4.490 1.018) 4.630 9.218 ( 2.033 -3.202 -1.033) 3.931 9.328 ( 0.652 -5.229 1.840) 5.581 12.278 ( 0.260 -1.805 -0.215) 1.836 12.300 ( -0.063 -1.298 -0.121) 1.305 12.333 ( -0.108 -1.251 0.437) 1.330 12.379 ( -0.131 -1.482 -0.119) 1.493 15.502 ( -0.944 5.295 0.083) 5.379 15.549 ( -0.789 7.557 -1.392) 7.725 15.662 ( -2.263 3.499 0.566) 4.205 15.828 ( 1.370 3.164 -0.393) 3.470 16.059 ( 0.690 -0.655 -1.814) 2.048 16.102 ( 1.697 -0.053 1.190) 2.073 16.272 ( 1.218 -3.055 1.491) 3.611 16.311 ( 1.357 -1.606 0.653) 2.202 17.874 ( 0.939 -0.873 -3.838) 4.047 18.120 ( 7.752 -1.941 2.461) 8.362 18.310 ( -11.540 -6.667 10.405) 16.908 18.556 ( -8.146 -7.060 -4.832) 11.813 ======================= Grid point 73 (31/90) ======================= q-point: ( 0.43 0.12 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -1.505 4.621 0.562) 4.893 0.778 ( -8.152 10.686 6.843) 15.082 0.939 ( -4.977 10.938 9.846) 15.536 1.059 ( 4.047 6.179 -3.708) 8.265 1.344 ( 5.153 6.210 -8.530) 11.742 1.658 ( -3.257 3.128 4.009) 6.039 1.823 ( -4.322 5.467 8.760) 11.194 2.165 ( 1.772 -1.326 -1.855) 2.888 2.205 ( -2.913 -2.599 3.863) 5.492 2.223 ( 1.317 -0.670 -1.085) 1.833 2.426 ( 2.986 0.291 -7.436) 8.018 2.547 ( -1.821 1.555 2.122) 3.199 2.606 ( 1.676 0.083 -1.718) 2.402 2.783 ( 0.612 -0.056 -1.936) 2.032 2.902 ( -0.782 -0.169 2.055) 2.205 2.952 ( 0.045 -1.646 0.270) 1.669 3.818 ( -0.214 -2.625 -0.134) 2.638 3.968 ( 4.206 -2.791 -6.848) 8.508 4.021 ( 1.383 -0.910 -2.199) 2.753 4.099 ( -0.228 -1.909 -0.212) 1.934 4.193 ( 0.037 -1.120 -1.613) 1.964 4.228 ( -1.680 -2.582 4.106) 5.133 4.392 ( 0.031 3.815 -0.297) 3.827 4.488 ( 1.213 1.951 -2.159) 3.153 4.588 ( -3.318 6.294 5.004) 8.698 4.663 ( -0.579 5.351 1.103) 5.494 4.681 ( -1.821 -0.241 0.435) 1.887 4.775 ( -0.139 0.948 1.109) 1.466 5.043 ( -2.107 9.899 3.925) 10.855 5.232 ( 1.452 7.131 -2.178) 7.596 5.375 ( -0.893 7.312 1.627) 7.544 5.417 ( -1.065 7.404 1.842) 7.704 5.789 ( 0.715 -1.993 -0.902) 2.302 5.829 ( 1.177 -0.757 -1.576) 2.108 5.895 ( -1.597 1.429 2.464) 3.266 6.051 ( 6.240 3.410 -5.545) 9.017 6.272 ( -1.283 2.261 1.685) 3.098 6.322 ( -3.717 2.102 2.812) 5.113 6.843 ( 0.150 -0.713 0.571) 0.926 6.957 ( -0.687 -0.678 0.327) 1.019 7.230 ( -0.921 4.972 1.122) 5.179 7.303 ( 0.729 4.416 -0.877) 4.561 7.464 ( -0.437 0.215 0.589) 0.765 7.543 ( 0.338 -0.212 -0.885) 0.971 7.680 ( -1.368 -0.727 0.948) 1.816 7.751 ( 0.927 -0.635 -1.286) 1.708 7.838 ( -0.803 -1.104 2.285) 2.662 8.126 ( 2.703 -1.465 -4.688) 5.606 8.243 ( 0.307 -1.180 0.359) 1.271 8.353 ( -0.042 -0.265 -0.726) 0.774 8.386 ( -3.967 -2.104 4.712) 6.510 8.503 ( -0.439 -2.206 0.420) 2.288 8.980 ( -0.299 -3.613 1.867) 4.077 9.203 ( 0.436 -4.631 0.339) 4.664 9.224 ( 0.578 -3.263 -1.648) 3.701 9.346 ( -0.694 -5.153 1.329) 5.367 12.282 ( 0.408 -1.973 -0.113) 2.017 12.295 ( -0.432 -1.804 0.016) 1.855 12.338 ( 0.108 -0.772 0.267) 0.824 12.374 ( -0.134 -1.287 -0.356) 1.342 15.492 ( -0.431 4.949 0.230) 4.973 15.531 ( -0.001 6.435 -0.840) 6.489 15.648 ( -0.775 2.837 1.944) 3.525 15.835 ( 0.483 2.786 -1.418) 3.164 16.062 ( 1.173 -0.475 -0.676) 1.435 16.118 ( -0.239 -0.178 -0.626) 0.693 16.311 ( 0.050 -3.340 3.308) 4.701 16.347 ( 1.245 -1.533 1.912) 2.749 17.860 ( 2.306 -0.660 -4.098) 4.748 18.220 ( -9.532 -4.393 7.660) 12.993 18.290 ( 8.386 -3.348 1.042) 9.090 18.337 ( -8.162 -4.870 -7.376) 12.031 ======================= Grid point 74 (32/90) ======================= q-point: (-0.43 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( -12.237 10.754 7.300) 17.851 0.667 ( -7.255 4.630 -0.772) 8.641 0.954 ( -7.821 18.266 12.966) 23.726 1.117 ( 8.759 3.412 -6.985) 11.712 1.351 ( 5.574 6.644 -7.909) 11.737 1.633 ( -4.689 1.806 4.550) 6.779 1.832 ( -4.754 6.233 7.636) 10.943 2.170 ( 2.002 -2.638 -3.048) 4.501 2.211 ( -1.445 -1.972 3.701) 4.436 2.242 ( 0.898 -1.514 0.926) 1.989 2.396 ( 3.062 0.737 -7.363) 8.009 2.546 ( -1.390 1.894 2.863) 3.704 2.612 ( 1.896 0.345 -2.989) 3.556 2.777 ( 0.875 -0.046 -1.586) 1.812 2.910 ( -0.926 -0.850 1.941) 2.312 2.956 ( 0.066 -1.036 0.390) 1.109 3.818 ( 0.434 -2.655 -0.220) 2.699 3.975 ( 4.669 -2.762 -6.292) 8.308 4.019 ( 1.265 -1.946 -2.344) 3.299 4.087 ( -0.323 -0.898 -1.005) 1.386 4.186 ( 0.194 -1.928 0.161) 1.945 4.246 ( -1.018 -3.394 3.487) 4.971 4.389 ( 0.137 4.124 -0.519) 4.158 4.483 ( 1.845 1.582 -4.004) 4.684 4.583 ( -3.174 6.753 4.780) 8.861 4.657 ( -1.107 -0.167 0.943) 1.464 4.672 ( -0.119 5.631 0.750) 5.682 4.797 ( 0.099 1.195 3.268) 3.481 5.045 ( -2.514 9.511 3.958) 10.604 5.233 ( 1.189 7.320 -2.031) 7.689 5.381 ( -0.638 7.210 1.976) 7.503 5.426 ( -0.087 8.409 1.639) 8.568 5.766 ( -1.298 -1.832 -1.950) 2.974 5.838 ( -0.359 0.590 0.281) 0.746 5.880 ( -0.875 -0.549 0.644) 1.217 6.105 ( 6.147 4.135 -5.388) 9.160 6.271 ( -2.027 0.465 3.529) 4.096 6.303 ( -1.140 3.490 2.008) 4.184 6.878 ( 1.855 -0.735 2.125) 2.915 6.929 ( -1.960 -0.648 -1.040) 2.311 7.224 ( -0.907 4.694 0.841) 4.854 7.315 ( 1.530 5.109 -0.366) 5.345 7.465 ( -0.273 0.049 0.738) 0.789 7.536 ( 0.217 -0.223 -1.130) 1.172 7.671 ( -0.588 -0.420 0.470) 0.862 7.758 ( 1.356 -0.534 -1.100) 1.825 7.846 ( -1.315 -1.176 2.727) 3.248 8.118 ( 2.414 -1.548 -4.993) 5.758 8.259 ( 0.742 -1.331 0.655) 1.658 8.327 ( -1.161 -0.308 -1.684) 2.068 8.382 ( -2.800 -1.688 5.308) 6.234 8.511 ( 0.429 -2.061 0.631) 2.198 9.000 ( -0.151 -3.619 2.569) 4.441 9.181 ( 0.045 -3.658 -4.309) 5.653 9.236 ( -0.539 -4.872 3.457) 5.998 9.334 ( -1.501 -4.730 0.148) 4.965 12.286 ( -0.076 -1.798 -0.156) 1.806 12.291 ( 0.207 -2.078 0.079) 2.090 12.340 ( -0.273 -0.718 0.341) 0.841 12.369 ( 0.179 -1.232 -0.501) 1.343 15.493 ( 0.399 4.912 0.312) 4.938 15.533 ( 1.487 7.606 -0.838) 7.795 15.671 ( 0.223 2.348 2.848) 3.697 15.817 ( -0.206 2.635 -2.258) 3.476 16.076 ( -0.732 -0.744 -0.496) 1.156 16.094 ( 0.408 0.141 -0.848) 0.952 16.331 ( -1.736 -3.097 2.908) 4.590 16.401 ( 0.986 -2.597 4.524) 5.308 17.864 ( 2.652 -0.638 -3.204) 4.208 18.112 ( -6.584 -2.344 -7.908) 10.554 18.138 ( -7.685 -3.226 5.345) 9.901 18.461 ( 9.499 -4.824 -0.369) 10.660 ======================= Grid point 75 (33/90) ======================= q-point: (-0.29 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( -10.793 3.716 -4.394) 12.231 0.571 ( -11.713 14.138 14.412) 23.341 0.945 ( -10.738 22.966 16.209) 30.091 1.187 ( 8.493 1.577 -9.321) 12.709 1.368 ( 5.917 7.956 -7.451) 12.403 1.604 ( -4.635 1.006 5.705) 7.419 1.823 ( -5.132 6.847 6.855) 10.964 2.175 ( 1.692 -4.341 -2.207) 5.155 2.225 ( 0.862 -1.374 -0.059) 1.623 2.264 ( -0.537 -2.524 2.035) 3.287 2.385 ( 3.464 1.004 -5.404) 6.497 2.556 ( -0.949 1.951 2.798) 3.541 2.611 ( 2.275 1.006 -3.928) 4.650 2.780 ( 1.005 0.487 -0.917) 1.445 2.911 ( -0.958 -1.620 1.347) 2.314 2.961 ( -0.031 -0.279 0.425) 0.509 3.825 ( 0.662 -3.179 -0.292) 3.261 3.991 ( 3.629 -2.645 -4.672) 6.480 4.015 ( 1.480 -3.048 -2.872) 4.442 4.071 ( 0.299 -0.177 -1.541) 1.579 4.201 ( 0.346 -2.259 1.423) 2.692 4.260 ( -1.282 -4.571 2.649) 5.437 4.387 ( 0.341 4.366 -0.526) 4.411 4.467 ( 2.423 1.310 -5.640) 6.277 4.581 ( -2.661 7.392 4.314) 8.963 4.661 ( -0.233 -0.646 2.150) 2.258 4.679 ( 0.167 5.619 0.285) 5.629 4.850 ( 0.136 0.893 6.190) 6.256 5.040 ( -2.901 9.111 3.953) 10.347 5.230 ( 1.036 7.078 -2.044) 7.439 5.396 ( -0.509 6.352 2.547) 6.862 5.453 ( 1.735 10.128 1.006) 10.325 5.718 ( -1.554 -1.526 -1.895) 2.888 5.813 ( -2.528 2.868 2.123) 4.373 5.898 ( 1.977 -2.800 -0.756) 3.510 6.136 ( 3.575 5.998 -4.761) 8.451 6.290 ( 0.247 -0.430 2.841) 2.884 6.316 ( -0.425 3.139 2.323) 3.929 6.874 ( -2.327 -0.800 -1.191) 2.734 6.938 ( 1.833 -0.776 1.905) 2.755 7.218 ( -0.709 4.282 0.750) 4.405 7.351 ( 3.073 6.798 -0.169) 7.462 7.470 ( -0.195 -0.103 0.796) 0.826 7.528 ( 0.284 0.012 -1.085) 1.122 7.671 ( 0.143 -0.465 0.245) 0.545 7.772 ( 1.280 -0.896 -0.812) 1.761 7.852 ( -1.580 -1.053 2.976) 3.530 8.108 ( 2.828 -1.843 -5.441) 6.403 8.278 ( 0.039 -1.214 1.504) 1.934 8.288 ( -1.189 -0.104 -1.501) 1.918 8.399 ( -2.175 -1.749 5.979) 6.598 8.525 ( 0.560 -1.969 0.423) 2.090 9.026 ( -0.268 -3.407 2.787) 4.410 9.133 ( -0.038 -3.357 -4.199) 5.376 9.265 ( -1.763 -7.030 4.896) 8.747 9.307 ( -1.332 -4.503 0.138) 4.698 12.283 ( 0.101 -1.669 -0.287) 1.697 12.296 ( 0.180 -1.758 0.035) 1.768 12.337 ( -0.524 -0.987 0.529) 1.236 12.369 ( 0.336 -1.410 -0.408) 1.506 15.511 ( 1.066 4.554 0.390) 4.694 15.576 ( 5.413 11.090 -1.814) 12.473 15.706 ( 0.144 2.317 2.567) 3.461 15.788 ( -0.109 3.175 -2.142) 3.832 16.026 ( -2.418 -0.196 -1.244) 2.726 16.118 ( 1.378 -0.590 0.237) 1.517 16.317 ( -2.224 -2.988 1.261) 3.932 16.470 ( 0.198 -4.990 5.498) 7.428 17.891 ( 1.270 -1.084 3.017) 3.448 17.955 ( -2.910 -0.294 -5.239) 6.000 18.068 ( -5.816 -2.556 3.458) 7.233 18.607 ( 8.239 -6.046 -1.431) 10.319 ======================= Grid point 76 (34/90) ======================= q-point: (-0.14 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.235 ( -10.830 7.073 -0.634) 12.951 0.583 ( -6.797 15.903 17.222) 24.407 0.938 ( -12.595 22.987 20.868) 33.504 1.196 ( 5.627 0.593 -11.970) 13.240 1.392 ( 6.328 9.160 -8.574) 14.052 1.600 ( -3.659 0.788 7.096) 8.023 1.804 ( -5.304 6.968 6.824) 11.102 2.179 ( 1.217 -4.923 -1.660) 5.336 2.242 ( 2.500 0.137 -2.635) 3.635 2.262 ( -1.764 -4.395 1.705) 5.033 2.396 ( 3.830 0.918 -4.735) 6.159 2.569 ( -0.852 1.772 2.534) 3.208 2.605 ( 1.946 1.000 -4.335) 4.856 2.793 ( 1.689 1.401 -1.159) 2.482 2.908 ( -0.754 -1.774 1.028) 2.184 2.962 ( -0.239 -0.080 0.022) 0.253 3.834 ( 0.604 -3.886 -0.171) 3.936 3.999 ( 2.277 -2.415 -3.307) 4.685 4.007 ( 0.923 -2.556 -2.458) 3.665 4.070 ( 1.604 -0.612 -1.817) 2.500 4.223 ( 0.304 -2.137 1.400) 2.573 4.253 ( -2.510 -4.540 2.335) 5.689 4.388 ( 0.300 4.398 -0.396) 4.426 4.455 ( 2.620 1.121 -4.427) 5.265 4.583 ( -2.153 7.908 3.926) 9.088 4.678 ( -0.436 5.223 0.986) 5.333 4.695 ( 1.264 -2.264 1.081) 2.809 4.914 ( -1.361 -2.072 6.070) 6.557 5.030 ( -2.961 8.859 3.895) 10.121 5.227 ( 1.288 6.371 -2.161) 6.850 5.411 ( -0.854 5.396 2.285) 5.922 5.502 ( 2.781 8.354 -0.900) 8.851 5.683 ( -0.389 -1.083 -1.069) 1.571 5.828 ( 0.909 2.593 2.792) 3.917 5.912 ( 1.716 -2.500 -2.865) 4.172 6.130 ( 1.726 6.544 -5.022) 8.428 6.315 ( -0.781 2.445 1.708) 3.083 6.342 ( 0.647 -0.184 2.311) 2.407 6.836 ( -1.212 -1.056 0.319) 1.638 6.973 ( 0.490 -0.897 0.609) 1.190 7.217 ( -0.493 4.026 0.882) 4.151 7.409 ( 4.592 7.710 -3.393) 9.594 7.474 ( -0.247 -0.114 0.638) 0.693 7.525 ( 0.475 0.290 -0.805) 0.979 7.680 ( 0.544 -0.799 0.390) 1.043 7.782 ( 0.498 -1.673 -0.289) 1.769 7.852 ( -1.890 -0.805 2.472) 3.214 8.100 ( 3.316 -2.077 -6.000) 7.163 8.263 ( -0.306 0.108 -0.446) 0.552 8.291 ( -1.239 -0.996 2.762) 3.187 8.446 ( -0.477 -4.028 7.573) 8.590 8.540 ( 0.580 -1.945 0.670) 2.137 9.049 ( -0.414 -2.772 2.563) 3.797 9.102 ( 1.015 -3.205 -2.750) 4.344 9.264 ( -2.951 -8.143 2.846) 9.117 9.289 ( -3.364 -7.295 1.979) 8.274 12.283 ( 0.320 -1.405 -0.474) 1.517 12.297 ( 0.058 -1.265 -0.170) 1.277 12.335 ( -0.555 -1.420 0.902) 1.772 12.370 ( 0.104 -1.637 -0.267) 1.662 15.531 ( 0.677 4.231 0.214) 4.290 15.668 ( 8.176 10.352 -6.511) 14.711 15.732 ( 2.220 4.959 -0.507) 5.457 15.781 ( 1.609 5.663 -0.977) 5.968 15.984 ( -1.110 -0.130 -0.234) 1.141 16.135 ( 0.469 -1.126 -0.319) 1.261 16.291 ( -1.402 -2.943 0.201) 3.266 16.458 ( -5.675 -7.007 -3.531) 9.683 17.881 ( -0.137 0.180 -2.101) 2.113 18.009 ( -3.986 -2.078 1.375) 4.701 18.067 ( 3.716 -8.588 23.218) 25.033 18.710 ( 5.345 -7.069 -1.629) 9.011 ======================= Grid point 77 (35/90) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( 2.755 16.805 4.758) 17.682 0.972 ( -4.796 13.551 14.883) 20.691 1.169 ( 3.991 4.468 -13.907) 15.142 1.332 ( -7.131 13.179 9.316) 17.645 1.570 ( 0.922 8.095 -2.511) 8.526 1.700 ( -0.923 5.999 5.045) 7.892 1.861 ( -2.305 -0.876 2.340) 3.399 2.091 ( -0.121 -3.681 0.473) 3.713 2.148 ( -1.947 -3.771 1.331) 4.448 2.261 ( 1.807 0.311 -2.064) 2.760 2.428 ( 3.614 0.776 -4.160) 5.565 2.570 ( 0.379 -2.294 -1.619) 2.833 2.621 ( -1.135 2.213 2.323) 3.403 2.805 ( 1.038 -1.032 -2.193) 2.637 2.877 ( -0.396 -1.450 1.571) 2.174 2.941 ( -0.179 -1.070 -1.146) 1.578 3.769 ( 0.726 -2.406 -0.315) 2.533 3.914 ( 2.781 -4.034 -4.647) 6.753 3.962 ( 0.106 -1.392 0.701) 1.562 4.122 ( -1.424 2.078 2.733) 3.717 4.157 ( -1.016 -3.835 0.729) 4.034 4.201 ( -0.463 -2.527 2.216) 3.392 4.465 ( 3.398 1.101 -4.319) 5.605 4.478 ( 1.962 2.590 -3.326) 4.650 4.655 ( -0.712 -0.762 2.649) 2.847 4.761 ( -0.517 3.212 -0.464) 3.287 4.819 ( -0.640 9.817 0.405) 9.846 4.924 ( -1.361 3.887 0.885) 4.212 5.243 ( -2.969 12.161 4.892) 13.440 5.398 ( -0.560 11.269 0.904) 11.320 5.538 ( -0.799 5.968 1.042) 6.111 5.603 ( -1.047 3.658 0.866) 3.902 5.695 ( 1.133 1.533 -0.061) 1.907 5.854 ( -0.352 1.874 -0.362) 1.941 5.934 ( 1.212 4.123 -3.878) 5.789 6.176 ( 0.801 1.738 -6.888) 7.149 6.382 ( -0.418 4.117 2.114) 4.647 6.425 ( 0.495 6.483 -0.277) 6.508 6.820 ( 0.594 -1.964 2.375) 3.138 6.939 ( -0.872 -2.067 -0.877) 2.409 7.320 ( -0.227 5.523 1.329) 5.685 7.465 ( -0.132 -0.847 0.317) 0.914 7.477 ( -0.605 0.921 -2.084) 2.357 7.537 ( 0.554 0.510 -0.667) 1.006 7.668 ( -0.567 -1.104 1.209) 1.733 7.742 ( -1.811 -1.830 1.547) 3.003 7.850 ( 1.493 1.799 -3.225) 3.983 8.058 ( 4.106 -2.453 -6.153) 7.794 8.252 ( -2.328 -1.114 2.658) 3.705 8.281 ( 0.180 -0.714 1.413) 1.593 8.401 ( -2.246 -3.157 4.144) 5.673 8.498 ( -0.107 -3.197 0.111) 3.200 8.983 ( -3.014 -3.874 0.556) 4.940 9.023 ( 1.455 -5.528 -0.003) 5.716 9.061 ( -0.817 -5.864 1.757) 6.176 9.159 ( 0.541 -6.756 -0.421) 6.791 12.251 ( 0.052 -1.713 -0.249) 1.731 12.269 ( 0.156 -1.741 -0.030) 1.749 12.296 ( -0.533 -2.017 0.506) 2.146 12.329 ( 0.325 -2.496 -0.041) 2.517 15.646 ( -0.200 6.221 0.591) 6.252 15.752 ( -0.279 3.337 -0.689) 3.419 15.860 ( 2.170 4.367 -1.059) 4.991 15.930 ( -0.263 2.323 -2.163) 3.185 16.011 ( 3.247 1.084 -3.280) 4.741 16.090 ( 0.133 -1.164 -2.364) 2.639 16.199 ( -2.132 -3.093 0.159) 3.760 16.238 ( -3.209 -1.982 -0.274) 3.782 17.908 ( 1.678 1.024 0.397) 2.006 17.918 ( -1.682 -1.522 -0.339) 2.294 18.087 ( -1.576 -8.699 13.603) 16.223 18.550 ( 1.003 -11.793 -2.514) 12.100 ======================= Grid point 78 (36/90) ======================= q-point: ( 0.14 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 5.202 11.871 6.411) 14.460 1.013 ( -5.765 7.370 7.690) 12.112 1.109 ( 4.365 8.659 -8.244) 12.728 1.303 ( -6.302 11.927 7.500) 15.434 1.545 ( -0.321 8.595 -2.712) 9.019 1.735 ( -0.927 5.287 4.072) 6.737 1.854 ( -1.938 -0.516 3.453) 3.993 2.094 ( -1.182 -5.004 2.200) 5.592 2.131 ( -0.435 -1.768 -0.276) 1.842 2.266 ( 0.838 0.418 -1.396) 1.681 2.443 ( 3.430 0.617 -4.554) 5.735 2.561 ( 0.596 -2.117 -1.708) 2.784 2.624 ( -1.525 2.340 2.505) 3.752 2.798 ( 0.562 -0.767 -1.564) 1.830 2.884 ( -0.844 -1.468 1.738) 2.427 2.925 ( 0.114 -1.062 -1.494) 1.837 3.779 ( 0.537 -1.879 -0.118) 1.958 3.912 ( 3.001 -3.691 -5.300) 7.122 3.969 ( -0.099 -1.172 0.516) 1.285 4.123 ( -1.838 1.318 2.751) 3.561 4.149 ( -1.177 -3.860 1.418) 4.277 4.209 ( -0.536 -2.101 0.729) 2.288 4.469 ( 1.215 3.161 -2.063) 3.965 4.488 ( 3.605 0.188 -4.464) 5.741 4.669 ( -1.127 -1.001 2.934) 3.299 4.743 ( -0.984 2.345 -0.300) 2.560 4.809 ( -1.264 9.851 0.740) 9.960 4.898 ( -1.679 6.071 -0.274) 6.305 5.249 ( -2.624 11.897 5.126) 13.217 5.404 ( 0.267 11.722 0.420) 11.732 5.537 ( -0.698 5.994 1.123) 6.138 5.595 ( -0.731 5.912 0.527) 5.981 5.721 ( 1.530 1.031 0.381) 1.884 5.847 ( 0.576 1.753 -1.407) 2.320 5.911 ( -0.122 4.451 -1.145) 4.597 6.116 ( 1.088 1.999 -6.679) 7.056 6.380 ( -1.420 5.066 0.900) 5.338 6.431 ( -0.082 5.650 0.356) 5.662 6.866 ( 1.037 -2.228 2.657) 3.619 6.900 ( -1.812 -1.907 -1.584) 3.071 7.333 ( -0.251 5.681 1.688) 5.932 7.433 ( -1.498 2.927 -1.637) 3.674 7.467 ( -0.039 -0.678 0.031) 0.680 7.540 ( 0.528 0.137 -0.654) 0.851 7.672 ( -0.647 -1.334 1.315) 1.982 7.728 ( -1.391 -1.635 1.393) 2.559 7.839 ( 1.070 1.680 -2.795) 3.432 8.067 ( 4.207 -2.715 -5.730) 7.609 8.236 ( -2.325 -1.352 2.053) 3.383 8.305 ( 0.642 -0.872 1.634) 1.960 8.391 ( -3.779 -3.067 3.947) 6.267 8.486 ( -1.145 -3.234 -0.102) 3.432 8.926 ( -2.856 -3.547 0.208) 4.559 9.052 ( 0.831 -6.326 0.843) 6.436 9.092 ( 2.140 -5.154 0.884) 5.650 9.173 ( 1.300 -7.037 -0.154) 7.158 12.246 ( -0.222 -1.588 -0.182) 1.614 12.269 ( -0.238 -2.008 0.103) 2.024 12.296 ( 0.050 -1.915 0.257) 1.933 12.336 ( 0.364 -2.545 -0.016) 2.571 15.642 ( -1.103 6.610 0.848) 6.755 15.723 ( -1.314 4.040 -1.983) 4.688 15.846 ( -4.825 5.032 -3.191) 7.666 15.884 ( 1.303 4.367 -0.033) 4.557 16.028 ( 1.163 -0.727 1.093) 1.754 16.084 ( 2.532 0.871 -3.622) 4.504 16.175 ( -0.781 -3.622 1.816) 4.126 16.241 ( 1.820 -2.234 -0.402) 2.910 17.882 ( -0.853 -1.163 -1.542) 2.111 17.972 ( 4.082 0.207 1.403) 4.322 18.162 ( -5.266 -9.736 11.528) 15.981 18.504 ( -2.589 -11.387 -3.590) 12.217 ======================= Grid point 79 (37/90) ======================= q-point: ( 0.29 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 3.023 8.182 3.846) 9.533 0.972 ( -1.634 4.422 -0.284) 4.723 1.124 ( 1.245 10.947 -0.438) 11.027 1.279 ( -4.738 10.071 6.401) 12.840 1.512 ( -0.341 9.025 -2.070) 9.265 1.747 ( -2.051 4.120 2.853) 5.415 1.868 ( -1.436 -0.427 4.334) 4.585 2.101 ( -2.015 -4.762 4.467) 6.833 2.126 ( 0.799 -1.421 -1.609) 2.291 2.260 ( 0.201 1.145 -1.359) 1.788 2.449 ( 3.051 0.432 -5.193) 6.039 2.554 ( 0.629 -2.069 -1.559) 2.666 2.623 ( -1.726 2.350 2.528) 3.859 2.792 ( 0.710 -0.249 -1.732) 1.889 2.885 ( -1.122 -1.464 1.757) 2.547 2.917 ( 0.512 -1.216 -0.955) 1.628 3.783 ( 0.296 -0.974 -0.413) 1.098 3.905 ( 3.202 -3.485 -6.055) 7.685 3.971 ( -0.000 -1.255 0.041) 1.256 4.119 ( -1.635 0.650 2.293) 2.890 4.148 ( -0.782 -3.975 1.595) 4.354 4.197 ( -1.248 -1.549 0.139) 1.994 4.470 ( 1.276 3.273 -1.878) 3.984 4.497 ( 2.762 -0.172 -4.285) 5.101 4.675 ( -1.864 -0.561 2.910) 3.501 4.728 ( -0.456 2.369 0.167) 2.419 4.794 ( -1.563 9.716 1.247) 9.920 4.869 ( -0.951 7.134 -0.528) 7.216 5.258 ( -2.638 11.596 5.143) 12.957 5.414 ( 0.730 12.179 -0.073) 12.201 5.538 ( -0.503 6.606 1.182) 6.729 5.588 ( -0.754 8.183 0.714) 8.249 5.751 ( 1.373 0.186 0.126) 1.392 5.839 ( 1.395 1.829 -3.137) 3.890 5.918 ( -0.517 3.370 2.782) 4.400 6.084 ( 2.928 1.617 -5.596) 6.519 6.359 ( -2.022 5.382 1.066) 5.848 6.426 ( -0.950 5.759 0.419) 5.852 6.844 ( -1.724 -1.459 -1.361) 2.637 6.912 ( 0.563 -2.782 1.903) 3.418 7.344 ( -0.560 5.745 1.505) 5.965 7.401 ( -0.787 3.865 -0.508) 3.976 7.465 ( -0.186 -0.678 -0.012) 0.703 7.540 ( 0.329 -0.313 -0.865) 0.977 7.672 ( -0.991 -0.843 1.418) 1.924 7.726 ( -0.428 -1.215 1.109) 1.700 7.831 ( 0.805 1.218 -1.706) 2.246 8.079 ( 3.729 -2.957 -5.216) 7.061 8.220 ( -1.399 -1.204 1.285) 2.249 8.331 ( -0.302 -1.835 2.088) 2.796 8.364 ( -3.131 -1.683 2.971) 4.633 8.462 ( -1.165 -3.117 -0.289) 3.340 8.898 ( -1.198 -3.726 0.866) 4.009 9.070 ( 0.443 -6.866 0.669) 6.913 9.132 ( 1.633 -5.236 -0.405) 5.500 9.197 ( 1.156 -7.489 0.476) 7.593 12.242 ( -0.073 -1.686 -0.112) 1.692 12.262 ( -0.703 -2.244 0.238) 2.364 12.303 ( 0.528 -1.747 0.067) 1.826 12.339 ( 0.129 -2.464 -0.151) 2.472 15.627 ( -1.531 6.701 0.772) 6.917 15.677 ( -1.004 4.749 -2.002) 5.251 15.751 ( -3.669 4.723 -0.075) 5.981 15.900 ( 0.710 3.499 -0.500) 3.605 16.048 ( 0.830 -0.333 -0.759) 1.173 16.106 ( 2.152 0.490 -0.880) 2.376 16.198 ( 0.341 -3.906 2.744) 4.786 16.272 ( 1.950 -2.168 -0.085) 2.917 17.857 ( 0.422 -0.538 -2.252) 2.354 18.076 ( 5.498 -2.289 1.913) 6.255 18.160 ( -6.572 -7.634 8.296) 13.050 18.387 ( -5.166 -9.331 -5.410) 11.959 ======================= Grid point 80 (38/90) ======================= q-point: ( 0.43 0.25 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -0.394 6.920 0.597) 6.957 0.953 ( -5.130 6.278 5.965) 10.065 1.135 ( 4.865 10.333 -6.635) 13.209 1.283 ( -3.401 8.818 7.727) 12.207 1.495 ( 0.668 9.037 -1.416) 9.172 1.727 ( -3.466 3.344 2.693) 5.518 1.891 ( -1.229 -0.552 4.025) 4.245 2.118 ( 0.621 -1.750 -2.310) 2.964 2.120 ( -2.360 -4.523 6.175) 8.010 2.249 ( 0.573 1.680 -1.719) 2.471 2.435 ( 2.575 0.301 -6.456) 6.957 2.557 ( 1.047 -1.546 -0.325) 1.896 2.618 ( -1.536 1.955 1.863) 3.107 2.785 ( 1.080 0.217 -2.458) 2.694 2.883 ( -1.357 -1.748 1.857) 2.889 2.923 ( 0.805 -1.113 -0.137) 1.381 3.783 ( 0.311 -0.386 -0.551) 0.741 3.897 ( 3.622 -3.622 -6.397) 8.195 3.968 ( -0.017 -1.536 -0.524) 1.623 4.117 ( -1.412 0.308 2.377) 2.782 4.154 ( 1.053 -3.932 -1.313) 4.277 4.175 ( -2.753 -1.240 2.639) 4.010 4.472 ( 1.258 3.362 -1.877) 4.050 4.493 ( 2.433 -0.441 -4.859) 5.452 4.666 ( -2.272 0.296 2.354) 3.285 4.732 ( 0.464 3.327 0.403) 3.383 4.787 ( -1.151 8.948 2.098) 9.263 4.855 ( -0.338 7.040 -0.040) 7.048 5.265 ( -2.883 11.513 4.988) 12.875 5.425 ( 0.564 12.404 -0.091) 12.418 5.546 ( -0.367 7.173 1.603) 7.359 5.586 ( -0.483 8.870 0.849) 8.924 5.763 ( 0.125 -0.648 -0.620) 0.906 5.836 ( 1.916 2.173 -2.533) 3.848 5.929 ( -1.768 2.739 2.355) 4.022 6.098 ( 4.718 0.658 -4.426) 6.503 6.338 ( -2.117 5.618 1.961) 6.316 6.412 ( -0.854 6.241 0.143) 6.300 6.823 ( 0.180 -1.413 0.423) 1.486 6.924 ( -0.702 -2.851 0.474) 2.975 7.344 ( -1.000 5.768 1.118) 5.960 7.394 ( 0.157 4.008 0.206) 4.016 7.461 ( -0.229 -0.800 -0.011) 0.832 7.534 ( 0.325 -0.578 -1.126) 1.306 7.670 ( -0.929 -0.088 1.321) 1.617 7.734 ( -0.078 -0.824 1.032) 1.323 7.831 ( 0.659 0.736 -0.787) 1.263 8.082 ( 3.017 -2.976 -5.141) 6.662 8.219 ( -0.321 -1.121 1.188) 1.665 8.329 ( -2.905 -2.846 3.582) 5.419 8.354 ( -0.616 -0.272 0.391) 0.778 8.449 ( -0.158 -3.014 0.256) 3.029 8.899 ( -0.432 -3.994 1.868) 4.431 9.082 ( 0.207 -7.251 0.456) 7.268 9.137 ( 0.356 -5.191 -1.631) 5.452 9.215 ( 0.152 -7.585 0.455) 7.600 12.242 ( 0.165 -1.896 -0.031) 1.903 12.252 ( -0.572 -2.185 0.148) 2.263 12.312 ( 0.284 -1.795 0.092) 1.819 12.338 ( 0.020 -2.302 -0.311) 2.323 15.610 ( -0.958 6.330 0.539) 6.424 15.657 ( 0.619 5.230 -1.178) 5.397 15.715 ( -1.520 3.738 1.624) 4.350 15.895 ( 0.201 2.691 -1.852) 3.273 16.056 ( 0.875 0.171 -0.140) 0.903 16.117 ( 0.416 0.094 -1.432) 1.494 16.237 ( -0.366 -3.615 3.990) 5.396 16.305 ( 1.303 -2.535 0.926) 2.997 17.848 ( 1.379 -0.291 -2.413) 2.794 18.111 ( -6.729 -6.190 6.283) 11.094 18.208 ( 5.752 -4.577 0.109) 7.352 18.225 ( -4.390 -5.847 -6.249) 9.618 ======================= Grid point 81 (39/90) ======================= q-point: (-0.43 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( -5.287 8.374 -1.323) 9.991 0.908 ( -8.997 11.271 9.639) 17.346 1.170 ( 9.317 7.252 -9.922) 15.423 1.317 ( -3.350 9.012 8.838) 13.060 1.504 ( 1.479 9.034 -0.504) 9.168 1.693 ( -3.968 3.865 3.343) 6.470 1.904 ( -1.390 -0.875 2.562) 3.043 2.101 ( -0.053 -2.202 -1.341) 2.579 2.145 ( -2.337 -4.142 5.820) 7.516 2.245 ( 1.249 0.931 -2.098) 2.613 2.409 ( 2.560 0.414 -6.187) 6.709 2.579 ( 1.480 -1.389 -0.164) 2.036 2.609 ( -1.154 1.841 1.034) 2.407 2.781 ( 1.631 0.410 -2.542) 3.048 2.877 ( -1.589 -2.121 1.785) 3.195 2.939 ( 0.755 -0.914 0.294) 1.222 3.781 ( 0.213 -0.578 -0.716) 0.944 3.897 ( 4.036 -4.187 -6.033) 8.380 3.959 ( -0.208 -1.726 -0.699) 1.873 4.120 ( -1.274 0.859 2.272) 2.743 4.147 ( 1.886 -2.231 -3.902) 4.875 4.172 ( -2.934 -3.394 5.590) 7.168 4.472 ( 1.389 2.141 -2.730) 3.737 4.482 ( 2.671 0.861 -5.096) 5.818 4.650 ( -2.013 0.690 1.843) 2.815 4.747 ( 0.779 5.083 0.163) 5.145 4.799 ( -0.360 7.963 2.327) 8.304 4.858 ( 0.067 5.987 1.272) 6.121 5.264 ( -3.164 11.675 4.793) 13.011 5.429 ( -0.287 12.322 0.224) 12.328 5.554 ( -0.930 8.038 1.655) 8.259 5.594 ( 0.293 7.360 1.116) 7.450 5.741 ( -1.022 -0.736 -1.723) 2.134 5.854 ( 2.321 1.800 -1.341) 3.229 5.908 ( -2.275 3.987 1.023) 4.703 6.145 ( 5.412 -0.450 -3.604) 6.518 6.329 ( -1.781 6.116 2.639) 6.895 6.405 ( 0.143 6.451 -0.080) 6.453 6.857 ( 1.842 -1.627 1.889) 3.100 6.898 ( -1.951 -2.655 -0.848) 3.403 7.334 ( -1.233 5.718 0.731) 5.895 7.412 ( 1.194 3.581 0.797) 3.858 7.458 ( -0.024 -0.916 0.033) 0.917 7.529 ( 0.542 -0.397 -1.211) 1.385 7.668 ( -0.779 0.347 1.123) 1.410 7.744 ( -0.227 -0.798 1.290) 1.533 7.836 ( 0.766 0.656 -0.565) 1.156 8.075 ( 2.819 -2.720 -5.556) 6.798 8.232 ( 0.013 -1.219 1.732) 2.118 8.312 ( -2.193 -1.624 1.214) 2.986 8.349 ( -1.178 -1.073 2.224) 2.736 8.459 ( 0.578 -2.982 0.528) 3.083 8.919 ( -0.174 -4.122 2.681) 4.920 9.078 ( -0.070 -6.660 -1.924) 6.933 9.122 ( -0.924 -5.977 0.577) 6.076 9.211 ( -0.711 -7.281 -0.288) 7.322 12.245 ( 0.047 -2.104 -0.079) 2.106 12.248 ( 0.114 -1.997 0.177) 2.009 12.314 ( -0.216 -1.836 0.167) 1.856 12.334 ( 0.076 -2.214 -0.413) 2.254 15.608 ( 0.087 6.142 0.374) 6.154 15.675 ( 2.900 5.450 -1.011) 6.255 15.729 ( 0.294 3.315 2.631) 4.243 15.873 ( 0.225 2.419 -2.726) 3.651 16.066 ( -0.680 0.116 0.179) 0.712 16.100 ( 0.328 0.485 -1.397) 1.515 16.257 ( -1.989 -3.789 3.379) 5.453 16.339 ( 0.585 -3.371 2.501) 4.238 17.852 ( 1.557 -0.381 -1.636) 2.291 18.054 ( -5.837 -4.472 2.818) 7.875 18.066 ( -4.133 -2.354 -4.889) 6.821 18.338 ( 7.442 -7.231 -0.531) 10.390 ======================= Grid point 82 (40/90) ======================= q-point: (-0.29 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -7.788 11.884 -2.527) 14.432 0.872 ( -7.482 15.211 11.353) 20.402 1.224 ( 8.367 4.985 -10.056) 13.999 1.344 ( -4.738 10.607 9.194) 14.816 1.533 ( 1.865 8.844 0.177) 9.040 1.668 ( -3.261 5.226 4.104) 7.402 1.897 ( -1.664 -1.217 1.320) 2.447 2.091 ( -0.080 -2.221 -0.343) 2.249 2.160 ( -2.072 -4.275 4.220) 6.354 2.246 ( 1.514 0.098 -2.193) 2.667 2.399 ( 2.992 0.489 -4.694) 5.588 2.591 ( 1.089 -2.954 -2.166) 3.822 2.608 ( -0.771 3.042 2.116) 3.785 2.789 ( 2.287 0.298 -2.346) 3.290 2.868 ( -1.421 -2.204 1.707) 3.129 2.951 ( 0.354 -0.922 0.133) 0.997 3.774 ( 0.073 -1.420 -1.034) 1.758 3.906 ( 3.790 -4.694 -5.271) 8.011 3.951 ( -0.093 -1.666 -0.223) 1.684 4.117 ( -0.700 2.193 0.717) 2.411 4.151 ( 1.353 -3.165 -0.829) 3.541 4.179 ( -2.645 -3.550 4.696) 6.454 4.461 ( 3.002 0.010 -5.950) 6.665 4.481 ( 1.784 3.458 -2.756) 4.768 4.640 ( -1.420 0.470 1.822) 2.357 4.761 ( 0.686 5.546 -0.018) 5.588 4.815 ( 0.061 8.543 1.043) 8.607 4.885 ( 0.265 3.919 2.958) 4.917 5.258 ( -3.360 11.898 4.624) 13.200 5.420 ( -1.203 11.888 0.624) 11.965 5.550 ( -1.193 7.750 1.289) 7.947 5.612 ( -0.086 5.035 1.305) 5.203 5.704 ( -0.555 0.153 -2.005) 2.086 5.862 ( -1.147 1.345 0.998) 2.030 5.907 ( 2.701 5.551 -1.559) 6.367 6.198 ( 4.875 -0.754 -3.878) 6.275 6.333 ( -1.067 6.178 2.834) 6.881 6.413 ( 0.634 6.397 -0.018) 6.428 6.846 ( -2.319 -2.260 -1.127) 3.428 6.912 ( 1.778 -2.022 1.672) 3.169 7.321 ( -0.963 5.538 0.560) 5.649 7.449 ( 1.333 1.804 1.332) 2.609 7.462 ( 0.696 -0.582 -0.228) 0.935 7.529 ( 0.774 0.181 -0.953) 1.241 7.666 ( -0.684 0.231 1.020) 1.250 7.752 ( -0.680 -1.137 1.605) 2.081 7.845 ( 1.231 0.981 -1.127) 1.936 8.065 ( 3.122 -2.459 -6.022) 7.215 8.252 ( -0.530 -1.362 2.531) 2.922 8.284 ( -1.632 -0.438 0.147) 1.697 8.361 ( -1.008 -1.675 3.422) 3.941 8.475 ( 0.739 -2.949 0.275) 3.052 8.948 ( -0.010 -4.098 2.975) 5.065 9.045 ( -0.044 -5.235 -3.244) 6.159 9.115 ( -2.270 -7.552 2.588) 8.300 9.190 ( -0.993 -6.983 -0.610) 7.080 12.245 ( 0.291 -1.938 -0.218) 1.972 12.256 ( 0.303 -2.050 0.308) 2.095 12.309 ( -0.529 -1.780 0.246) 1.873 12.331 ( 0.034 -2.323 -0.381) 2.354 15.619 ( 0.711 5.880 0.233) 5.927 15.727 ( 3.332 3.916 -0.795) 5.202 15.777 ( 3.041 4.197 0.932) 5.266 15.859 ( 1.711 3.374 -1.860) 4.215 16.027 ( -2.491 0.519 -0.841) 2.680 16.109 ( 0.916 -0.215 -0.322) 0.995 16.243 ( -2.484 -3.895 1.706) 4.925 16.369 ( -1.073 -4.765 3.054) 5.760 17.870 ( 0.636 -0.836 1.719) 2.014 17.956 ( -1.475 0.660 -4.026) 4.338 18.004 ( -4.564 -3.609 2.820) 6.466 18.450 ( 6.526 -9.407 -1.494) 11.547 ======================= Grid point 83 (41/90) ======================= q-point: (-0.14 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( -4.544 16.964 -0.294) 17.565 0.899 ( -4.884 15.641 13.502) 21.232 1.229 ( 5.271 4.168 -11.502) 13.321 1.348 ( -6.304 12.656 9.603) 17.092 1.564 ( 1.828 8.219 -0.899) 8.468 1.670 ( -1.973 6.075 4.877) 8.036 1.880 ( -2.003 -1.208 1.453) 2.753 2.089 ( 0.038 -2.570 -0.041) 2.570 2.162 ( -2.097 -4.750 2.800) 5.899 2.251 ( 2.022 0.293 -2.531) 3.253 2.410 ( 3.305 0.631 -3.818) 5.089 2.582 ( 0.601 -2.570 -2.077) 3.359 2.616 ( -0.946 2.305 2.087) 3.250 2.804 ( 2.134 -0.461 -2.542) 3.351 2.868 ( -0.731 -1.822 1.734) 2.619 2.952 ( -0.051 -1.027 -0.458) 1.126 3.766 ( 0.341 -2.179 -0.922) 2.390 3.913 ( 3.108 -4.595 -4.638) 7.230 3.953 ( 0.167 -1.537 0.422) 1.602 4.117 ( -0.753 2.499 1.597) 3.059 4.163 ( 0.633 -3.956 -0.806) 4.087 4.185 ( -2.159 -2.749 4.644) 5.813 4.456 ( 3.805 0.310 -6.002) 7.113 4.481 ( 1.507 3.527 -2.627) 4.649 4.641 ( -0.845 -0.132 2.188) 2.349 4.768 ( 0.236 4.603 -0.290) 4.618 4.822 ( -0.151 9.371 0.396) 9.381 4.919 ( -0.197 2.808 2.557) 3.803 5.248 ( -3.345 12.110 4.612) 13.384 5.405 ( -1.312 11.347 0.925) 11.460 5.543 ( -1.016 6.748 1.067) 6.907 5.613 ( -1.176 3.198 1.122) 3.587 5.687 ( 0.484 1.228 -1.094) 1.715 5.859 ( -0.305 1.819 0.573) 1.931 5.936 ( 2.928 4.690 -3.060) 6.319 6.216 ( 2.775 0.581 -5.735) 6.398 6.355 ( -0.179 4.712 3.165) 5.679 6.421 ( 0.464 6.582 -0.306) 6.606 6.808 ( -1.109 -1.979 0.363) 2.297 6.945 ( 0.549 -2.168 0.470) 2.286 7.315 ( -0.525 5.444 0.819) 5.531 7.462 ( -0.055 -0.936 0.497) 1.062 7.486 ( 1.387 0.213 -0.730) 1.581 7.534 ( 0.709 0.643 -0.629) 1.145 7.666 ( -0.636 -0.403 1.119) 1.349 7.753 ( -1.297 -1.583 1.652) 2.630 7.853 ( 1.692 1.498 -2.361) 3.268 8.057 ( 3.609 -2.345 -6.266) 7.602 8.262 ( -2.078 -0.887 2.633) 3.470 8.268 ( -0.254 -0.658 1.079) 1.289 8.384 ( -0.921 -2.189 3.765) 4.452 8.490 ( 0.692 -2.964 0.147) 3.048 8.979 ( 0.288 -4.064 2.263) 4.660 9.021 ( 0.556 -4.698 -1.978) 5.128 9.090 ( -3.788 -7.825 2.520) 9.051 9.167 ( -0.724 -6.776 -0.635) 6.844 12.249 ( 0.423 -1.842 -0.327) 1.918 12.264 ( 0.219 -1.904 0.313) 1.942 12.302 ( -0.613 -1.808 0.344) 1.939 12.328 ( 0.004 -2.447 -0.237) 2.459 15.635 ( 0.705 5.846 0.375) 5.900 15.753 ( 0.606 2.997 -0.228) 3.067 15.830 ( 3.342 3.431 -2.073) 5.219 15.912 ( 5.228 4.667 -1.730) 7.218 15.986 ( -0.497 0.311 -0.654) 0.878 16.111 ( 0.015 -1.182 -0.979) 1.535 16.218 ( -1.531 -3.746 0.558) 4.085 16.340 ( -4.684 -4.757 -0.184) 6.679 17.891 ( 0.024 0.775 0.095) 0.781 17.959 ( -3.280 -2.727 1.361) 4.477 17.964 ( 0.721 -2.537 7.885) 8.314 18.527 ( 4.302 -10.996 -2.027) 11.980 ======================= Grid point 84 (42/90) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 1.849 18.670 1.259) 18.804 1.190 ( -3.282 8.301 4.148) 9.843 1.282 ( 2.389 4.837 -5.110) 7.431 1.430 ( -3.554 -1.199 3.817) 5.351 1.664 ( -0.817 0.212 1.214) 1.479 1.779 ( 0.365 -1.782 -1.616) 2.434 1.837 ( -1.513 4.161 3.611) 5.713 2.003 ( -4.253 -5.248 5.713) 8.847 2.152 ( 0.604 3.200 -0.675) 3.325 2.260 ( 1.360 -0.743 -1.544) 2.188 2.442 ( 2.115 0.725 -1.762) 2.846 2.511 ( 0.109 -3.218 -0.170) 3.224 2.667 ( -0.507 2.550 1.157) 2.845 2.770 ( 0.502 -2.258 -1.167) 2.591 2.861 ( 0.018 -0.119 0.462) 0.477 2.911 ( 0.101 -1.912 -1.289) 2.308 3.764 ( 0.904 1.664 -0.276) 1.914 3.852 ( 2.124 -2.427 -2.456) 4.054 3.961 ( 0.125 1.071 0.830) 1.360 4.078 ( 0.000 -4.144 -0.565) 4.182 4.132 ( -2.722 -0.525 3.927) 4.807 4.159 ( -1.651 -1.636 3.805) 4.459 4.484 ( 5.339 1.259 -7.484) 9.279 4.512 ( 2.986 0.550 -5.451) 6.240 4.679 ( -1.785 2.571 3.384) 4.610 4.764 ( -2.527 -1.274 2.316) 3.657 4.978 ( 0.377 5.644 -0.860) 5.722 5.014 ( 1.342 3.791 -1.874) 4.437 5.469 ( -1.887 9.366 2.745) 9.941 5.574 ( -1.325 1.768 2.137) 3.074 5.623 ( -0.044 4.731 0.108) 4.732 5.670 ( -2.699 3.534 5.468) 7.048 5.747 ( 0.365 5.253 0.282) 5.274 5.915 ( -0.327 2.485 0.119) 2.510 6.040 ( 1.855 5.904 -5.387) 8.205 6.172 ( 0.883 -1.235 -5.189) 5.406 6.499 ( 0.130 7.094 1.316) 7.217 6.572 ( 1.089 7.782 -1.781) 8.057 6.764 ( 0.035 -3.592 2.532) 4.395 6.876 ( -0.616 -4.572 -0.812) 4.684 7.407 ( 0.120 2.141 0.486) 2.198 7.437 ( 0.065 -1.790 0.029) 1.792 7.474 ( -0.479 0.491 0.477) 0.835 7.539 ( 0.105 -0.558 -0.060) 0.571 7.661 ( -1.272 0.369 1.768) 2.209 7.706 ( -2.142 -1.781 2.588) 3.803 7.902 ( 2.871 2.909 -5.465) 6.824 8.005 ( 3.609 -2.809 -5.937) 7.494 8.232 ( -2.702 -0.667 3.263) 4.288 8.259 ( -1.245 -1.453 2.763) 3.361 8.374 ( -0.327 0.144 0.665) 0.755 8.438 ( 0.154 -2.739 -0.479) 2.785 8.909 ( -2.375 -3.149 0.395) 3.964 8.924 ( 0.425 -3.935 0.817) 4.042 8.972 ( 0.734 -3.000 0.293) 3.102 9.031 ( 0.623 -5.699 -0.598) 5.765 12.222 ( 0.039 -1.091 0.089) 1.095 12.233 ( -0.254 -1.613 0.443) 1.692 12.266 ( -0.105 -1.023 -0.175) 1.043 12.283 ( 0.290 -1.939 -0.170) 1.968 15.761 ( 0.171 5.172 0.730) 5.226 15.812 ( -0.343 2.526 0.141) 2.553 15.913 ( 2.796 1.004 -0.923) 3.111 15.952 ( -2.225 0.297 0.099) 2.247 16.000 ( 1.551 -0.985 -0.596) 1.932 16.045 ( -0.790 -3.381 -0.101) 3.474 16.180 ( 0.875 0.762 -1.778) 2.123 16.211 ( -2.218 -0.796 -1.034) 2.574 17.889 ( -1.699 -0.649 1.183) 2.170 17.935 ( -0.327 -1.278 4.596) 4.782 18.002 ( 0.885 1.927 1.506) 2.601 18.316 ( 1.137 -11.453 -2.673) 11.816 ======================= Grid point 85 (43/90) ======================= q-point: ( 0.14 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 2.942 15.933 2.729) 16.430 1.139 ( -1.408 6.417 -4.216) 7.806 1.288 ( -2.007 6.210 4.348) 7.842 1.400 ( -2.415 -0.361 0.953) 2.621 1.658 ( -1.441 1.101 1.218) 2.184 1.769 ( 0.276 -3.295 -0.952) 3.441 1.843 ( -1.833 3.589 2.644) 4.819 1.994 ( -4.051 -5.182 6.289) 9.100 2.156 ( 0.758 3.410 -0.765) 3.576 2.266 ( 0.992 -0.797 -1.171) 1.729 2.453 ( 1.564 0.406 -2.286) 2.799 2.508 ( -0.250 -2.828 -0.228) 2.849 2.673 ( -0.489 2.666 1.411) 3.056 2.770 ( 0.833 -1.935 -0.945) 2.309 2.863 ( -0.471 -0.464 0.705) 0.966 2.899 ( 0.438 -1.577 -1.651) 2.325 3.782 ( 1.140 1.929 -0.081) 2.242 3.861 ( 2.205 -1.702 -3.119) 4.182 3.969 ( -0.235 0.850 0.876) 1.243 4.070 ( -0.486 -4.008 0.025) 4.037 4.122 ( -2.869 -0.514 3.589) 4.623 4.167 ( -1.787 -2.153 3.118) 4.189 4.496 ( 4.705 0.742 -6.864) 8.355 4.508 ( 3.512 0.832 -5.798) 6.830 4.686 ( -1.920 2.044 3.870) 4.779 4.747 ( -2.176 -0.737 2.331) 3.273 4.971 ( -0.036 5.965 -0.904) 6.033 5.009 ( 0.553 4.210 -1.948) 4.672 5.468 ( -1.712 9.061 2.904) 9.668 5.580 ( -0.056 0.250 0.898) 0.934 5.630 ( 0.263 7.324 1.008) 7.397 5.692 ( -1.592 4.473 5.517) 7.279 5.755 ( -0.122 3.432 0.767) 3.519 5.912 ( -0.375 2.925 0.598) 3.009 6.013 ( 1.902 5.473 -5.275) 7.836 6.126 ( 0.776 -0.349 -5.417) 5.483 6.510 ( -0.532 7.733 1.018) 7.817 6.567 ( 0.468 7.458 -1.612) 7.645 6.800 ( 0.475 -4.496 2.822) 5.329 6.843 ( -1.631 -4.070 -1.482) 4.628 7.413 ( 0.068 1.217 0.143) 1.227 7.436 ( -0.434 -1.603 0.459) 1.723 7.470 ( -0.689 1.821 0.749) 2.086 7.538 ( 0.031 -0.531 -0.349) 0.636 7.663 ( -0.603 0.437 1.643) 1.804 7.701 ( -1.375 -1.242 2.384) 3.020 7.889 ( 2.266 3.040 -5.049) 6.314 8.006 ( 3.728 -3.253 -5.697) 7.545 8.218 ( -2.487 -0.320 2.722) 3.701 8.268 ( -1.502 -2.387 3.324) 4.359 8.369 ( -0.925 0.324 0.548) 1.123 8.427 ( -0.662 -2.590 -0.563) 2.732 8.870 ( -2.197 -1.850 0.215) 2.880 8.934 ( -0.088 -5.118 0.645) 5.160 9.001 ( 1.860 -3.519 0.537) 4.016 9.044 ( 1.357 -5.561 -0.520) 5.748 12.221 ( -0.220 -0.908 0.088) 0.938 12.231 ( -0.549 -1.581 0.426) 1.727 12.265 ( 0.281 -1.082 -0.180) 1.132 12.288 ( 0.341 -2.136 -0.161) 2.169 15.761 ( -1.248 5.154 1.009) 5.398 15.789 ( -1.881 2.677 -0.704) 3.347 15.888 ( -3.818 0.331 -1.232) 4.025 15.940 ( 0.302 0.494 -0.273) 0.640 16.018 ( 1.391 -0.045 0.958) 1.689 16.061 ( 2.269 -2.894 -0.469) 3.707 16.159 ( -0.271 1.736 -0.967) 2.005 16.208 ( 1.924 -1.065 -0.975) 2.406 17.873 ( -1.090 0.507 0.475) 1.292 17.977 ( -0.262 -2.254 4.150) 4.730 18.035 ( 0.211 -0.639 2.591) 2.677 18.286 ( -0.820 -10.274 -3.451) 10.869 ======================= Grid point 86 (44/90) ======================= q-point: ( 0.29 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 1.498 12.873 1.422) 13.037 1.087 ( 0.631 7.078 -3.173) 7.782 1.293 ( -3.715 3.668 6.432) 8.284 1.374 ( -0.829 1.727 -0.663) 2.027 1.641 ( -1.215 2.945 0.201) 3.192 1.771 ( -0.514 -4.092 1.494) 4.387 1.831 ( -1.527 2.016 0.946) 2.700 1.996 ( -3.985 -5.757 7.221) 10.058 2.159 ( 0.573 3.635 -1.000) 3.814 2.269 ( 0.677 -0.563 -0.996) 1.329 2.449 ( 1.283 -0.182 -3.107) 3.367 2.499 ( -0.113 -2.978 -0.638) 3.048 2.678 ( -0.779 3.142 1.534) 3.582 2.777 ( 1.143 -1.405 -1.140) 2.140 2.860 ( -0.804 -0.594 0.973) 1.395 2.893 ( 0.812 -1.382 -1.433) 2.150 3.797 ( 1.085 2.168 -0.670) 2.515 3.861 ( 2.223 -1.133 -4.136) 4.830 3.970 ( -0.329 0.606 0.226) 0.725 4.065 ( -0.063 -4.189 0.032) 4.190 4.111 ( -2.708 -0.445 3.437) 4.398 4.163 ( -2.328 -2.037 3.026) 4.327 4.499 ( 3.691 0.469 -6.217) 7.245 4.510 ( 3.981 0.804 -6.350) 7.538 4.694 ( -2.246 1.983 4.327) 5.263 4.742 ( -1.466 -0.069 2.862) 3.217 4.959 ( -0.234 6.270 -0.796) 6.325 4.995 ( 0.261 4.634 -1.874) 5.006 5.471 ( -1.716 8.885 3.194) 9.597 5.589 ( 0.583 0.114 -0.001) 0.594 5.649 ( 0.416 8.004 0.908) 8.066 5.723 ( -1.401 6.524 4.754) 8.193 5.758 ( -0.832 0.918 1.307) 1.801 5.915 ( -0.217 3.804 0.697) 3.873 6.001 ( 1.998 4.498 -3.329) 5.942 6.094 ( 1.795 0.023 -4.500) 4.845 6.502 ( -1.011 8.608 0.357) 8.675 6.556 ( 0.089 6.978 -1.257) 7.091 6.798 ( -1.514 -3.402 -1.128) 3.891 6.832 ( 0.101 -5.265 2.057) 5.654 7.411 ( -0.073 0.403 -0.245) 0.478 7.434 ( -0.377 -1.357 0.534) 1.506 7.466 ( -0.953 2.783 1.202) 3.178 7.532 ( -0.109 -0.482 -0.518) 0.716 7.673 ( -0.376 0.803 1.575) 1.808 7.709 ( -0.715 -0.816 2.258) 2.505 7.877 ( 1.973 3.158 -4.127) 5.559 8.011 ( 3.590 -3.655 -5.359) 7.414 8.207 ( -1.875 -0.007 2.466) 3.098 8.274 ( -2.406 -3.054 3.918) 5.520 8.360 ( -0.374 0.469 0.124) 0.613 8.408 ( -0.764 -2.272 -0.577) 2.465 8.844 ( -1.189 -1.390 0.638) 1.937 8.938 ( -0.136 -6.016 0.504) 6.039 9.035 ( 1.334 -4.006 -0.020) 4.222 9.062 ( 1.299 -5.587 -0.383) 5.749 12.217 ( -0.236 -0.754 0.045) 0.792 12.224 ( -0.602 -1.362 0.335) 1.526 12.270 ( 0.407 -1.388 -0.075) 1.449 12.290 ( 0.216 -2.261 -0.221) 2.282 15.740 ( -2.209 3.966 0.154) 4.542 15.744 ( -1.736 2.604 -0.242) 3.139 15.816 ( -2.730 2.301 -0.568) 3.615 15.933 ( -0.355 -0.878 -0.743) 1.204 16.053 ( 1.320 0.834 0.324) 1.594 16.096 ( 1.975 -1.518 -0.306) 2.509 16.168 ( 0.742 1.260 1.428) 2.043 16.234 ( 1.815 -1.676 -0.557) 2.532 17.862 ( -0.457 1.213 -0.026) 1.296 18.004 ( -2.702 -5.582 5.151) 8.062 18.070 ( 2.435 -0.401 0.380) 2.497 18.217 ( -2.069 -7.438 -4.414) 8.893 ======================= Grid point 87 (45/90) ======================= q-point: ( 0.43 0.38 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 0.183 11.706 0.295) 11.711 1.084 ( -0.144 7.319 0.465) 7.335 1.305 ( -1.663 3.086 4.464) 5.676 1.356 ( -0.450 1.618 -0.277) 1.702 1.627 ( -0.236 3.795 -0.368) 3.820 1.774 ( -2.881 -0.986 4.403) 5.353 1.821 ( 0.796 -1.455 -1.353) 2.140 2.007 ( -4.328 -6.657 8.170) 11.393 2.154 ( 0.364 3.855 -1.419) 4.124 2.267 ( 0.435 -0.212 -1.191) 1.285 2.431 ( 1.160 -0.336 -3.982) 4.161 2.496 ( 0.686 -3.777 -0.785) 3.918 2.679 ( -0.908 3.624 1.360) 3.976 2.782 ( 1.221 -0.925 -1.900) 2.441 2.856 ( -1.088 -0.500 1.215) 1.706 2.899 ( 1.072 -1.499 -0.613) 1.943 3.804 ( 0.738 2.107 -1.219) 2.544 3.851 ( 2.309 -1.043 -4.888) 5.506 3.963 ( -0.240 0.428 -0.636) 0.804 4.068 ( 0.812 -4.501 -0.924) 4.666 4.103 ( -2.547 -0.337 3.837) 4.618 4.153 ( -2.782 -1.564 3.568) 4.787 4.493 ( 3.670 0.541 -6.860) 7.798 4.510 ( 3.572 0.574 -5.746) 6.790 4.698 ( -2.650 2.540 4.283) 5.641 4.757 ( -0.907 0.246 3.515) 3.638 4.950 ( 0.073 6.356 -0.586) 6.383 4.982 ( 0.575 4.706 -1.759) 5.057 5.476 ( -1.822 8.951 3.461) 9.768 5.603 ( 0.807 0.191 0.311) 0.886 5.659 ( 0.065 7.521 0.115) 7.522 5.736 ( -1.558 8.348 2.469) 8.843 5.753 ( -2.211 -0.741 2.492) 3.413 5.919 ( -0.209 4.258 0.733) 4.326 6.006 ( 1.676 4.253 -2.050) 5.010 6.094 ( 2.971 -0.353 -3.221) 4.396 6.489 ( -0.714 8.901 0.142) 8.931 6.545 ( 0.272 6.964 -1.233) 7.078 6.780 ( 0.069 -3.150 0.375) 3.173 6.842 ( -0.832 -5.441 0.892) 5.576 7.408 ( -0.035 0.242 -0.108) 0.267 7.432 ( -0.180 -1.600 0.011) 1.610 7.461 ( -1.105 3.222 1.333) 3.658 7.526 ( 0.059 -0.342 -0.508) 0.615 7.682 ( -0.578 1.139 1.599) 2.047 7.720 ( -0.809 -0.749 2.297) 2.548 7.872 ( 2.149 3.226 -3.410) 5.163 8.015 ( 3.321 -3.687 -5.225) 7.206 8.207 ( -1.255 0.055 2.623) 2.908 8.270 ( -2.835 -2.860 4.239) 5.847 8.355 ( -0.083 0.281 -0.615) 0.681 8.396 ( 0.036 -2.185 -0.168) 2.191 8.842 ( -0.438 -1.511 1.413) 2.115 8.941 ( -0.093 -6.445 0.529) 6.467 9.042 ( 0.251 -3.869 -1.138) 4.041 9.077 ( 0.584 -5.855 -0.312) 5.892 12.214 ( -0.165 -0.824 0.078) 0.843 12.219 ( -0.310 -1.082 0.178) 1.139 12.275 ( 0.194 -1.644 -0.014) 1.656 12.291 ( 0.128 -2.243 -0.273) 2.263 15.709 ( -0.827 3.097 0.034) 3.205 15.728 ( -0.557 2.332 0.764) 2.517 15.782 ( -0.873 3.262 -0.171) 3.381 15.912 ( -0.181 -1.351 -2.063) 2.473 16.074 ( 0.694 1.488 0.630) 1.759 16.115 ( 0.540 -0.374 -0.450) 0.796 16.199 ( -0.051 0.068 2.519) 2.521 16.257 ( 1.127 -2.186 0.129) 2.462 17.857 ( -0.001 1.302 -0.261) 1.328 17.993 ( -4.034 -5.502 4.249) 8.038 18.128 ( 0.323 -3.231 -3.165) 4.534 18.130 ( 1.783 -3.416 -2.406) 4.543 ======================= Grid point 88 (46/90) ======================= q-point: (-0.43 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -2.776 13.091 -1.285) 13.444 1.100 ( -1.344 8.460 5.158) 9.999 1.317 ( 2.988 5.017 -4.705) 7.498 1.367 ( -1.812 -2.070 6.025) 6.624 1.629 ( 0.877 3.452 -0.306) 3.574 1.772 ( -3.810 2.511 6.428) 7.883 1.823 ( 1.994 -3.501 -3.138) 5.107 2.017 ( -4.774 -6.951 8.504) 11.976 2.146 ( 0.569 3.705 -1.250) 3.951 2.259 ( 0.450 0.020 -1.642) 1.702 2.411 ( 1.548 0.038 -3.990) 4.280 2.502 ( 1.118 -4.755 -1.146) 5.017 2.676 ( -0.785 3.736 0.977) 3.940 2.781 ( 1.321 -0.915 -2.302) 2.808 2.850 ( -1.176 -0.051 1.431) 1.853 2.913 ( 0.859 -1.759 -0.111) 1.960 3.795 ( 0.048 1.575 -1.635) 2.271 3.841 ( 2.501 -1.507 -4.708) 5.539 3.951 ( -0.074 0.598 -0.898) 1.081 4.070 ( 1.188 -4.495 -1.863) 5.009 4.108 ( -1.895 -0.600 4.177) 4.625 4.145 ( -2.989 -1.130 4.355) 5.401 4.482 ( 3.998 0.935 -7.495) 8.546 4.513 ( 3.391 0.308 -5.153) 6.177 4.693 ( -2.798 3.261 3.725) 5.687 4.778 ( -1.228 -0.064 3.668) 3.869 4.951 ( 0.613 6.108 -0.235) 6.143 4.980 ( 1.327 4.636 -1.782) 5.141 5.480 ( -1.978 9.275 3.478) 10.101 5.619 ( 0.204 0.053 0.740) 0.770 5.652 ( -0.871 6.372 0.021) 6.431 5.727 ( -4.106 5.516 3.976) 7.943 5.733 ( -0.451 2.762 -0.302) 2.815 5.921 ( -0.748 3.485 1.187) 3.756 6.016 ( 2.369 5.648 -2.271) 6.532 6.125 ( 3.592 -1.006 -2.066) 4.264 6.482 ( -0.315 8.756 0.191) 8.763 6.543 ( 1.105 7.136 -1.360) 7.348 6.806 ( 1.438 -3.731 1.475) 4.262 6.823 ( -1.777 -4.880 -0.107) 5.194 7.406 ( -0.091 0.522 -0.141) 0.548 7.430 ( -0.005 -1.654 -0.121) 1.658 7.459 ( -0.676 2.707 1.184) 3.030 7.525 ( 0.372 -0.236 -0.308) 0.538 7.685 ( -1.054 1.204 1.640) 2.291 7.727 ( -1.423 -1.004 2.548) 3.086 7.878 ( 2.717 3.299 -3.358) 5.435 8.015 ( 3.207 -3.318 -5.405) 7.107 8.217 ( -1.073 -0.180 3.053) 3.241 8.267 ( -2.686 -2.423 4.090) 5.460 8.346 ( 0.170 0.503 -0.796) 0.957 8.403 ( 0.717 -2.497 0.039) 2.598 8.857 ( -0.059 -1.845 2.079) 2.780 8.944 ( -0.184 -6.215 0.285) 6.224 9.024 ( -0.672 -3.590 -1.199) 3.844 9.074 ( -0.228 -5.986 -0.741) 6.036 12.213 ( -0.047 -0.961 0.050) 0.964 12.219 ( 0.070 -0.976 0.171) 0.994 12.276 ( -0.078 -1.695 0.018) 1.697 12.289 ( 0.079 -2.142 -0.309) 2.166 15.711 ( 0.486 3.798 0.277) 3.839 15.743 ( 1.255 2.109 0.856) 2.599 15.784 ( 1.217 2.243 0.281) 2.567 15.888 ( 0.618 -1.094 -2.831) 3.097 16.085 ( -1.013 1.417 0.835) 1.932 16.108 ( -0.383 0.103 -0.427) 0.583 16.211 ( -1.406 -0.445 2.063) 2.536 16.277 ( 0.512 -2.801 1.035) 3.030 17.856 ( 0.089 0.928 0.098) 0.938 17.963 ( -3.797 -4.351 3.125) 6.567 18.048 ( -1.138 0.568 -4.517) 4.693 18.198 ( 4.693 -6.613 -1.252) 8.205 ======================= Grid point 89 (47/90) ======================= q-point: (-0.29 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -3.274 16.022 -2.182) 16.498 1.133 ( -2.813 10.975 7.731) 13.716 1.317 ( 4.990 2.506 -8.230) 9.946 1.405 ( -2.265 -2.118 7.246) 7.882 1.647 ( 1.237 2.479 -0.130) 2.773 1.779 ( -3.506 3.326 6.574) 8.159 1.822 ( 1.844 -2.219 -3.098) 4.233 2.021 ( -4.666 -6.402 7.509) 10.915 2.147 ( 0.553 3.182 -0.660) 3.296 2.252 ( 0.949 -0.022 -1.879) 2.105 2.405 ( 2.185 0.401 -3.021) 3.750 2.508 ( 1.010 -4.869 -1.363) 5.156 2.672 ( -0.748 3.331 0.759) 3.498 2.779 ( 1.128 -1.569 -2.045) 2.813 2.847 ( -0.661 0.504 1.240) 1.493 2.922 ( 0.387 -1.988 -0.232) 2.039 3.775 ( -0.141 1.217 -1.658) 2.062 3.838 ( 2.323 -2.310 -3.784) 5.005 3.945 ( 0.240 0.971 -0.413) 1.083 4.073 ( 1.475 -4.508 -1.868) 5.098 4.122 ( -1.703 -0.742 4.026) 4.435 4.143 ( -2.903 -0.850 4.838) 5.706 4.474 ( 4.548 1.378 -7.824) 9.154 4.517 ( 3.259 0.185 -4.979) 5.953 4.683 ( -2.492 3.514 3.188) 5.359 4.788 ( -1.977 -0.763 3.311) 3.931 4.964 ( 0.884 5.684 -0.081) 5.753 4.989 ( 1.931 4.445 -1.878) 5.197 5.480 ( -2.124 9.612 3.150) 10.335 5.614 ( -2.111 1.751 1.158) 2.977 5.637 ( -0.533 3.904 -0.048) 3.940 5.691 ( -4.490 2.118 4.231) 6.523 5.732 ( 0.470 6.634 -0.440) 6.665 5.919 ( -0.634 2.890 0.880) 3.087 6.039 ( 3.032 6.439 -2.668) 7.600 6.167 ( 3.437 -1.585 -1.878) 4.225 6.480 ( -0.121 8.063 0.183) 8.066 6.554 ( 1.729 7.414 -1.427) 7.746 6.782 ( -2.161 -4.116 -0.271) 4.656 6.851 ( 1.555 -4.314 1.252) 4.754 7.402 ( -0.087 1.509 -0.188) 1.523 7.430 ( 0.123 -1.681 0.007) 1.686 7.464 ( -0.062 1.240 0.936) 1.555 7.531 ( 0.375 -0.369 0.025) 0.526 7.680 ( -1.559 0.984 1.681) 2.494 7.725 ( -2.060 -1.477 2.824) 3.795 7.892 ( 3.301 3.246 -4.013) 6.127 8.012 ( 3.260 -2.869 -5.715) 7.178 8.231 ( -1.439 -0.553 3.464) 3.792 8.262 ( -2.442 -1.632 3.295) 4.414 8.349 ( 0.743 0.520 -0.102) 0.913 8.418 ( 0.989 -2.691 -0.135) 2.870 8.881 ( 0.137 -2.326 2.192) 3.199 8.940 ( -0.200 -5.091 -0.406) 5.111 8.998 ( -1.330 -3.689 -0.236) 3.929 9.056 ( -0.632 -5.966 -0.881) 6.064 12.214 ( 0.190 -1.019 -0.019) 1.037 12.224 ( 0.174 -1.164 0.314) 1.218 12.274 ( -0.223 -1.544 0.054) 1.561 12.287 ( -0.001 -2.004 -0.340) 2.033 15.723 ( 0.934 4.469 -0.142) 4.568 15.781 ( 1.654 1.860 0.681) 2.581 15.826 ( 3.010 1.130 -0.284) 3.228 15.888 ( 2.761 -0.571 -1.728) 3.307 16.049 ( -2.785 1.470 -0.106) 3.151 16.099 ( -1.235 -1.255 0.466) 1.822 16.200 ( -1.304 0.268 0.798) 1.552 16.290 ( -0.783 -3.331 1.283) 3.655 17.864 ( -0.164 0.282 1.691) 1.722 17.932 ( -3.063 -3.107 2.430) 4.994 17.997 ( 0.143 3.412 -3.235) 4.704 18.261 ( 4.311 -9.345 -1.782) 10.444 ======================= Grid point 90 (48/90) ======================= q-point: (-0.14 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -1.076 18.781 -1.133) 18.846 1.169 ( -2.855 11.342 8.152) 14.256 1.307 ( 4.133 1.768 -8.846) 9.923 1.434 ( -2.880 -1.584 6.052) 6.887 1.661 ( 0.345 1.102 0.209) 1.174 1.785 ( -1.426 0.930 2.380) 2.926 1.825 ( 0.049 1.629 0.712) 1.779 2.015 ( -4.406 -5.754 6.211) 9.545 2.149 ( 0.449 3.067 -0.535) 3.145 2.253 ( 1.425 -0.395 -1.816) 2.342 2.421 ( 2.470 0.648 -1.925) 3.198 2.510 ( 0.627 -4.110 -0.862) 4.246 2.668 ( -0.733 2.844 0.861) 3.061 2.776 ( 0.618 -2.187 -1.520) 2.734 2.853 ( 0.067 0.412 0.677) 0.795 2.921 ( 0.050 -2.077 -0.729) 2.202 3.761 ( 0.284 1.366 -1.071) 1.759 3.842 ( 2.186 -2.730 -2.757) 4.454 3.950 ( 0.354 1.151 0.275) 1.235 4.079 ( 1.115 -4.503 -1.415) 4.850 4.132 ( -2.171 -0.574 4.064) 4.643 4.147 ( -2.350 -0.969 4.634) 5.286 4.474 ( 5.101 1.541 -7.818) 9.461 4.518 ( 3.022 0.270 -5.177) 6.001 4.677 ( -2.000 3.194 3.104) 4.882 4.781 ( -2.456 -1.292 2.742) 3.901 4.976 ( 0.724 5.493 -0.450) 5.558 5.004 ( 1.974 3.965 -1.853) 4.802 5.474 ( -2.100 9.637 2.795) 10.252 5.586 ( -2.592 2.617 1.971) 4.177 5.628 ( -0.319 3.198 -0.347) 3.232 5.669 ( -3.740 2.577 5.120) 6.844 5.738 ( 0.617 6.419 -0.222) 6.452 5.918 ( -0.256 2.515 0.288) 2.544 6.053 ( 2.489 6.264 -3.972) 7.824 6.192 ( 2.297 -1.809 -3.384) 4.472 6.485 ( 0.128 7.336 0.760) 7.376 6.567 ( 1.600 7.623 -1.675) 7.968 6.754 ( -1.210 -3.351 1.004) 3.702 6.879 ( 0.624 -4.695 0.256) 4.743 7.401 ( 0.051 2.228 0.135) 2.232 7.433 ( 0.229 -1.736 0.017) 1.752 7.473 ( -0.013 0.211 0.595) 0.631 7.536 ( 0.123 -0.581 0.162) 0.615 7.669 ( -1.718 0.615 1.757) 2.533 7.717 ( -2.362 -1.875 2.835) 4.139 7.903 ( 3.383 3.003 -4.968) 6.719 8.007 ( 3.400 -2.649 -5.938) 7.337 8.238 ( -2.231 -0.847 3.694) 4.398 8.256 ( -1.756 -1.036 2.585) 3.292 8.365 ( 0.608 0.280 0.476) 0.821 8.433 ( 0.897 -2.718 -0.335) 2.882 8.905 ( 0.357 -2.997 1.413) 3.333 8.932 ( -0.517 -4.081 -0.025) 4.114 8.975 ( -1.268 -3.431 0.276) 3.668 9.037 ( -0.423 -5.828 -0.771) 5.894 12.218 ( 0.239 -1.098 -0.002) 1.123 12.230 ( 0.056 -1.430 0.435) 1.496 12.270 ( -0.238 -1.264 -0.015) 1.286 12.283 ( 0.033 -1.890 -0.296) 1.913 15.743 ( 1.178 4.723 0.159) 4.870 15.805 ( 0.706 2.005 0.230) 2.139 15.872 ( 3.160 1.169 -1.108) 3.547 15.942 ( 3.909 -1.220 -0.783) 4.169 16.002 ( -2.443 1.435 0.308) 2.850 16.073 ( -1.921 -2.812 0.237) 3.414 16.187 ( -0.395 0.851 -0.506) 1.066 16.268 ( -2.539 -2.796 -0.219) 3.784 17.890 ( -0.522 -0.717 4.021) 4.117 17.910 ( -2.210 -2.008 2.052) 3.623 17.983 ( 1.040 4.301 -1.400) 4.641 18.305 ( 3.049 -11.049 -2.186) 11.669 ======================= Grid point 91 (49/90) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 2.553 -12.492 -3.199) 13.145 1.181 ( 2.553 12.492 -3.199) 13.145 1.349 ( -3.561 -5.526 4.324) 7.868 1.349 ( -3.561 5.526 4.324) 7.868 1.711 ( 0.575 -4.945 -2.079) 5.395 1.711 ( 0.575 4.945 -2.079) 5.395 1.914 ( -3.881 -3.726 6.381) 8.347 1.914 ( -3.881 3.726 6.381) 8.347 2.221 ( 1.148 -3.177 -1.502) 3.697 2.221 ( 1.148 3.177 -1.502) 3.697 2.463 ( 0.776 -1.564 -0.072) 1.747 2.463 ( 0.776 1.564 -0.072) 1.747 2.721 ( 0.116 -2.746 -0.190) 2.755 2.721 ( 0.116 2.746 -0.190) 2.755 2.875 ( 0.113 -1.489 -0.621) 1.617 2.875 ( 0.113 1.489 -0.621) 1.617 3.809 ( 1.210 -2.311 -0.343) 2.631 3.809 ( 1.210 2.311 -0.343) 2.631 4.002 ( 0.610 -3.214 -0.747) 3.355 4.002 ( 0.610 3.214 -0.747) 3.355 4.133 ( -2.776 -0.843 4.445) 5.308 4.133 ( -2.776 0.843 4.445) 5.308 4.507 ( 4.501 -0.909 -7.072) 8.432 4.507 ( 4.501 0.909 -7.072) 8.432 4.729 ( -2.462 -2.241 3.200) 4.618 4.729 ( -2.462 2.241 3.200) 4.618 5.044 ( 1.341 -0.949 -1.963) 2.560 5.044 ( 1.341 0.949 -1.963) 2.560 5.568 ( -0.759 -1.694 0.498) 1.922 5.568 ( -0.759 1.694 0.498) 1.922 5.681 ( -2.132 -1.901 5.066) 5.816 5.681 ( -2.132 1.901 5.066) 5.816 5.889 ( -0.184 -5.546 0.039) 5.549 5.889 ( -0.184 5.546 0.039) 5.549 6.133 ( 1.359 -3.150 -4.951) 6.023 6.133 ( 1.359 3.150 -4.951) 6.023 6.629 ( 1.159 -4.853 0.097) 4.991 6.629 ( 1.159 4.853 0.097) 4.991 6.764 ( -0.725 -5.967 0.272) 6.017 6.764 ( -0.725 5.967 0.272) 6.017 7.413 ( 0.151 -0.302 -0.066) 0.344 7.413 ( 0.151 0.302 -0.066) 0.344 7.512 ( -0.240 -2.115 0.675) 2.233 7.512 ( -0.240 2.115 0.675) 2.233 7.677 ( -1.674 -1.140 2.311) 3.073 7.677 ( -1.674 1.140 2.311) 3.073 7.953 ( 3.163 -2.439 -5.699) 6.959 7.953 ( 3.163 2.439 -5.699) 6.959 8.234 ( -2.248 -0.860 3.261) 4.053 8.234 ( -2.248 0.860 3.261) 4.053 8.394 ( 0.274 -1.699 -0.473) 1.785 8.394 ( 0.274 1.699 -0.473) 1.785 8.880 ( -0.858 -0.405 0.610) 1.128 8.880 ( -0.858 0.405 0.610) 1.128 8.956 ( 0.713 -1.592 -0.312) 1.772 8.956 ( 0.713 1.592 -0.312) 1.772 12.213 ( -0.157 -0.319 0.362) 0.507 12.213 ( -0.157 0.319 0.362) 0.507 12.259 ( 0.137 -0.442 -0.269) 0.535 12.259 ( 0.137 0.442 -0.269) 0.535 15.831 ( 0.354 -1.328 0.464) 1.451 15.831 ( 0.354 1.328 0.464) 1.451 15.929 ( 0.574 -1.534 -0.723) 1.790 15.929 ( 0.574 1.534 -0.723) 1.790 16.001 ( -0.814 -0.930 0.824) 1.485 16.001 ( -0.814 0.930 0.824) 1.485 16.198 ( -0.183 -0.749 -1.474) 1.664 16.198 ( -0.183 0.749 -1.474) 1.664 17.896 ( -1.309 -1.387 3.289) 3.802 17.896 ( -1.309 1.387 3.289) 3.802 18.118 ( 1.360 -8.428 -1.943) 8.755 18.118 ( 1.360 8.428 -1.943) 8.755 ======================= Grid point 93 (50/90) ======================= q-point: ( 0.14 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 2.301 -7.223 -3.471) 8.338 1.191 ( 2.301 7.223 -3.471) 8.338 1.326 ( -3.973 -3.636 4.548) 7.049 1.326 ( -3.973 3.636 4.548) 7.049 1.701 ( 0.578 -4.365 -1.538) 4.664 1.701 ( 0.578 4.365 -1.538) 4.664 1.908 ( -4.314 -3.376 5.836) 8.004 1.908 ( -4.314 3.376 5.836) 8.004 2.226 ( 1.046 -3.165 -1.178) 3.535 2.226 ( 1.046 3.165 -1.178) 3.535 2.467 ( -0.014 -1.250 -0.383) 1.307 2.467 ( -0.014 1.250 -0.383) 1.307 2.726 ( 0.497 -2.564 0.071) 2.613 2.726 ( 0.497 2.564 0.071) 2.613 2.870 ( 0.198 -1.150 -0.737) 1.380 2.870 ( 0.198 1.150 -0.737) 1.380 3.828 ( 1.345 -2.096 -0.469) 2.534 3.828 ( 1.345 2.096 -0.469) 2.534 4.001 ( 0.165 -2.653 -0.717) 2.753 4.001 ( 0.165 2.653 -0.717) 2.753 4.130 ( -2.889 -1.334 4.237) 5.299 4.130 ( -2.889 1.334 4.237) 5.299 4.510 ( 4.500 -0.490 -7.119) 8.436 4.510 ( 4.500 0.490 -7.119) 8.436 4.724 ( -2.176 -1.595 3.491) 4.412 4.724 ( -2.176 1.595 3.491) 4.412 5.042 ( 0.842 -1.065 -1.961) 2.385 5.042 ( 0.842 1.065 -1.961) 2.385 5.566 ( -0.179 -1.823 0.555) 1.915 5.566 ( -0.179 1.823 0.555) 1.915 5.704 ( -1.609 -2.090 5.017) 5.668 5.704 ( -1.609 2.090 5.017) 5.668 5.888 ( -0.187 -5.612 0.596) 5.647 5.888 ( -0.187 5.612 0.596) 5.647 6.100 ( 1.381 -2.799 -5.235) 6.094 6.100 ( 1.381 2.799 -5.235) 6.094 6.648 ( 1.091 -4.203 -0.529) 4.375 6.648 ( 1.091 4.203 -0.529) 4.375 6.747 ( -1.517 -3.869 0.679) 4.211 6.747 ( -1.517 3.869 0.679) 4.211 7.413 ( -0.075 -0.353 -0.036) 0.362 7.413 ( -0.075 0.353 -0.036) 0.362 7.514 ( -0.391 -1.931 0.695) 2.089 7.514 ( -0.391 1.931 0.695) 2.089 7.679 ( -0.847 -0.992 2.199) 2.557 7.679 ( -0.847 0.992 2.199) 2.557 7.947 ( 3.049 -2.834 -5.562) 6.947 7.947 ( 3.049 2.834 -5.562) 6.947 8.229 ( -2.287 -1.426 3.234) 4.209 8.229 ( -2.287 1.426 3.234) 4.209 8.387 ( -0.382 -1.493 -0.450) 1.605 8.387 ( -0.382 1.493 -0.450) 1.605 8.866 ( -1.169 -1.648 0.376) 2.055 8.866 ( -1.169 1.648 0.376) 2.055 8.975 ( 1.495 -1.120 -0.091) 1.870 8.975 ( 1.495 1.120 -0.091) 1.870 12.213 ( -0.293 -0.200 0.354) 0.501 12.213 ( -0.293 0.200 0.354) 0.501 12.259 ( 0.200 -0.606 -0.265) 0.691 12.259 ( 0.200 0.606 -0.265) 0.691 15.820 ( -2.130 -0.280 0.088) 2.150 15.820 ( -2.130 0.280 0.088) 2.150 15.905 ( -1.675 -2.436 -0.420) 2.985 15.905 ( -1.675 2.436 -0.420) 2.985 16.027 ( 2.128 -0.843 0.919) 2.467 16.027 ( 2.128 0.843 0.919) 2.467 16.190 ( 1.032 -1.113 -1.348) 2.030 16.190 ( 1.032 1.113 -1.348) 2.030 17.906 ( -1.514 -2.939 3.198) 4.600 17.906 ( -1.514 2.939 3.198) 4.600 18.116 ( 0.855 -6.828 -2.035) 7.176 18.116 ( 0.855 6.828 -2.035) 7.176 ======================= Grid point 95 (51/90) ======================= q-point: ( 0.29 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 1.289 -2.885 -2.976) 4.341 1.184 ( 1.289 2.885 -2.976) 4.341 1.317 ( -2.971 -5.513 4.631) 7.789 1.317 ( -2.971 5.513 4.631) 7.789 1.699 ( 1.149 -3.849 -1.682) 4.355 1.699 ( 1.149 3.849 -1.682) 4.355 1.892 ( -4.776 -4.218 6.230) 8.911 1.892 ( -4.776 4.218 6.230) 8.911 2.231 ( 0.800 -3.172 -1.028) 3.429 2.231 ( 0.800 3.172 -1.028) 3.429 2.456 ( -0.142 -1.187 -1.230) 1.715 2.456 ( -0.142 1.187 -1.230) 1.715 2.737 ( 0.456 -2.647 0.248) 2.698 2.737 ( 0.456 2.647 0.248) 2.698 2.867 ( 0.310 -1.075 -0.659) 1.299 2.867 ( 0.310 1.075 -0.659) 1.299 3.841 ( 1.283 -1.550 -1.528) 2.526 3.841 ( 1.283 1.550 -1.528) 2.526 3.995 ( 0.258 -2.453 -0.976) 2.653 3.995 ( 0.258 2.453 -0.976) 2.653 4.124 ( -2.968 -1.620 4.279) 5.454 4.124 ( -2.968 1.620 4.279) 5.454 4.510 ( 4.263 -0.509 -7.117) 8.312 4.510 ( 4.263 0.509 -7.117) 8.312 4.729 ( -1.898 -1.309 4.091) 4.696 4.729 ( -1.898 1.309 4.091) 4.696 5.032 ( 0.531 -0.988 -1.954) 2.253 5.032 ( 0.531 0.988 -1.954) 2.253 5.572 ( 0.049 -2.062 0.719) 2.184 5.572 ( 0.049 2.062 0.719) 2.184 5.725 ( -1.637 -2.212 3.892) 4.766 5.725 ( -1.637 2.212 3.892) 4.767 5.896 ( -0.341 -5.811 1.693) 6.062 5.896 ( -0.341 5.811 1.693) 6.062 6.077 ( 1.947 -2.438 -4.400) 5.394 6.077 ( 1.947 2.438 -4.400) 5.394 6.648 ( 0.591 -2.524 -2.181) 3.387 6.648 ( 0.591 2.524 -2.181) 3.387 6.734 ( -1.439 -1.319 1.880) 2.710 6.734 ( -1.439 1.319 1.880) 2.710 7.411 ( -0.126 -0.511 -0.084) 0.533 7.411 ( -0.126 0.511 -0.084) 0.533 7.513 ( -0.599 -1.651 0.704) 1.892 7.513 ( -0.599 1.651 0.704) 1.892 7.691 ( -0.471 -0.931 2.072) 2.320 7.691 ( -0.471 0.931 2.072) 2.320 7.942 ( 2.979 -3.399 -5.094) 6.810 7.942 ( 2.979 3.399 -5.094) 6.810 8.224 ( -2.281 -1.803 3.449) 4.511 8.224 ( -2.281 1.803 3.449) 4.511 8.375 ( -0.387 -1.115 -0.486) 1.276 8.375 ( -0.387 1.115 -0.486) 1.276 8.853 ( -0.790 -2.401 0.481) 2.573 8.853 ( -0.790 2.401 0.481) 2.573 8.998 ( 1.238 -0.669 -0.265) 1.431 8.998 ( 1.238 0.669 -0.265) 1.431 12.211 ( -0.319 -0.098 0.271) 0.430 12.211 ( -0.319 0.098 0.271) 0.430 12.260 ( 0.193 -0.579 -0.221) 0.649 12.260 ( 0.193 0.579 -0.221) 0.649 15.772 ( -2.619 -0.518 -0.202) 2.678 15.772 ( -2.619 0.518 -0.202) 2.678 15.877 ( -1.165 -3.788 -0.321) 3.976 15.877 ( -1.165 3.788 -0.321) 3.976 16.073 ( 1.798 -1.067 0.782) 2.232 16.073 ( 1.798 1.067 0.782) 2.232 16.202 ( 1.306 -1.706 -0.397) 2.185 16.202 ( 1.306 1.706 -0.397) 2.185 17.910 ( -1.714 -3.692 2.633) 4.848 17.910 ( -1.714 3.692 2.633) 4.848 18.106 ( 0.756 -3.813 -2.338) 4.536 18.106 ( 0.756 3.813 -2.338) 4.536 ======================= Grid point 97 (52/90) ======================= q-point: ( 0.43 -0.50 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 1.764 -2.768 -1.356) 3.551 1.186 ( 1.764 2.768 -1.356) 3.551 1.311 ( -3.100 -4.988 3.839) 7.016 1.311 ( -3.100 4.988 3.839) 7.016 1.705 ( 2.039 -4.237 -2.441) 5.298 1.705 ( 2.039 4.237 -2.441) 5.298 1.879 ( -4.979 -5.350 7.441) 10.429 1.879 ( -4.979 5.350 7.441) 10.429 2.230 ( 0.538 -3.381 -1.177) 3.620 2.230 ( 0.538 3.381 -1.177) 3.620 2.440 ( 0.369 -1.557 -2.029) 2.584 2.440 ( 0.369 1.557 -2.029) 2.584 2.744 ( 0.124 -2.791 0.047) 2.794 2.744 ( 0.124 2.791 0.047) 2.794 2.868 ( 0.416 -1.421 -0.289) 1.509 2.868 ( 0.416 1.421 -0.289) 1.509 3.838 ( 0.996 -0.926 -2.604) 2.938 3.838 ( 0.996 0.926 -2.604) 2.938 3.990 ( 0.696 -2.862 -1.461) 3.288 3.990 ( 0.696 2.862 -1.461) 3.288 4.119 ( -3.028 -1.600 4.547) 5.693 4.119 ( -3.028 1.600 4.547) 5.693 4.507 ( 4.057 -0.677 -7.030) 8.145 4.507 ( 4.057 0.677 -7.030) 8.145 4.743 ( -1.941 -1.686 4.553) 5.229 4.743 ( -1.941 1.686 4.553) 5.229 5.022 ( 0.787 -0.828 -1.987) 2.292 5.022 ( 0.787 0.828 -1.987) 2.292 5.583 ( 0.047 -2.410 1.100) 2.649 5.583 ( 0.047 2.410 1.100) 2.649 5.726 ( -2.165 -1.945 2.585) 3.893 5.726 ( -2.165 1.945 2.585) 3.893 5.906 ( -1.007 -5.812 2.081) 6.255 5.906 ( -1.007 5.812 2.081) 6.255 6.076 ( 2.614 -2.269 -3.173) 4.696 6.076 ( 2.614 2.269 -3.173) 4.696 6.634 ( 0.869 -2.487 -2.454) 3.601 6.634 ( 0.869 2.487 -2.454) 3.601 6.734 ( -1.133 -2.734 2.082) 3.618 6.734 ( -1.133 2.734 2.082) 3.618 7.408 ( -0.057 -0.533 -0.188) 0.568 7.408 ( -0.057 0.533 -0.188) 0.568 7.510 ( -0.608 -1.541 0.670) 1.787 7.510 ( -0.608 1.541 0.670) 1.787 7.703 ( -0.754 -0.963 2.050) 2.387 7.703 ( -0.754 0.963 2.050) 2.387 7.942 ( 3.041 -3.711 -4.666) 6.692 7.942 ( 3.041 3.711 -4.666) 6.692 8.224 ( -2.175 -1.715 3.776) 4.683 8.224 ( -2.175 1.715 3.776) 4.683 8.366 ( 0.050 -0.924 -0.606) 1.106 8.366 ( 0.050 0.924 -0.606) 1.106 8.850 ( -0.328 -2.562 0.866) 2.725 8.850 ( -0.328 2.562 0.866) 2.725 9.008 ( 0.450 -0.836 -0.741) 1.204 9.008 ( 0.450 0.836 -0.741) 1.204 12.209 ( -0.230 -0.130 0.184) 0.322 12.209 ( -0.230 0.130 0.184) 0.322 12.261 ( 0.145 -0.468 -0.186) 0.524 12.261 ( 0.145 0.468 -0.186) 0.524 15.742 ( -0.852 -0.623 0.505) 1.171 15.742 ( -0.852 0.623 0.505) 1.171 15.855 ( -0.503 -3.825 -1.117) 4.016 15.855 ( -0.503 3.825 -1.117) 4.016 16.102 ( 0.489 -1.108 0.856) 1.483 16.102 ( 0.489 1.108 0.856) 1.483 16.220 ( 0.684 -1.605 0.255) 1.763 16.220 ( 0.684 1.605 0.255) 1.763 17.903 ( -1.792 -3.522 1.997) 4.427 17.903 ( -1.792 3.522 1.997) 4.427 18.095 ( 1.154 -0.088 -2.630) 2.873 18.095 ( 1.154 0.088 -2.630) 2.873 ======================= Grid point 99 (53/90) ======================= q-point: (-0.43 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 2.139 -3.880 -2.308) 4.996 1.206 ( 2.139 3.880 -2.308) 4.996 1.299 ( -3.237 -0.318 5.148) 6.090 1.299 ( -3.237 0.318 5.148) 6.090 1.715 ( 2.525 -5.022 -3.193) 6.465 1.715 ( 2.525 5.022 -3.193) 6.465 1.880 ( -4.727 -5.929 8.504) 11.394 1.880 ( -4.727 5.929 8.504) 11.394 2.225 ( 0.501 -3.490 -1.394) 3.791 2.225 ( 0.501 3.490 -1.394) 3.791 2.429 ( 1.096 -2.241 -2.330) 3.413 2.429 ( 1.096 2.241 -2.330) 3.413 2.742 ( -0.124 -2.809 -0.329) 2.831 2.742 ( -0.124 2.809 -0.329) 2.831 2.874 ( 0.330 -1.997 0.081) 2.026 2.874 ( 0.330 1.997 0.081) 2.026 3.822 ( 0.639 -0.962 -2.915) 3.136 3.822 ( 0.639 0.962 -2.915) 3.136 3.988 ( 1.024 -3.349 -1.752) 3.916 3.988 ( 1.024 3.349 -1.752) 3.916 4.118 ( -2.823 -1.279 4.861) 5.765 4.118 ( -2.823 1.279 4.861) 5.765 4.503 ( 4.112 -0.996 -6.879) 8.076 4.503 ( 4.112 0.996 -6.879) 8.076 4.754 ( -2.445 -2.442 4.357) 5.562 4.754 ( -2.445 2.442 4.357) 5.562 5.020 ( 1.426 -0.680 -1.949) 2.509 5.020 ( 1.426 0.680 -1.949) 2.509 5.595 ( -0.202 -2.748 1.203) 3.006 5.595 ( -0.202 2.748 1.203) 3.006 5.707 ( -2.914 -1.650 2.318) 4.073 5.707 ( -2.914 1.650 2.318) 4.073 5.904 ( -1.337 -5.827 1.500) 6.164 5.904 ( -1.337 5.827 1.500) 6.164 6.098 ( 3.105 -2.434 -2.171) 4.503 6.098 ( 3.105 2.434 -2.171) 4.503 6.627 ( 1.180 -2.826 -2.331) 3.849 6.627 ( 1.180 2.826 -2.331) 3.849 6.739 ( -0.713 -1.159 1.920) 2.353 6.739 ( -0.713 1.159 1.920) 2.353 7.405 ( 0.102 -0.475 -0.262) 0.553 7.405 ( 0.102 0.475 -0.262) 0.553 7.507 ( -0.456 -1.738 0.647) 1.909 7.507 ( -0.456 1.738 0.647) 1.909 7.707 ( -1.416 -1.010 2.131) 2.750 7.707 ( -1.416 1.010 2.131) 2.750 7.948 ( 3.237 -3.535 -4.618) 6.656 7.948 ( 3.237 3.535 -4.618) 6.656 8.229 ( -2.092 -1.348 3.991) 4.703 8.229 ( -2.092 1.348 3.991) 4.703 8.365 ( 0.628 -1.414 -0.677) 1.689 8.365 ( 0.628 1.414 -0.677) 1.689 8.858 ( -0.067 -2.228 1.192) 2.527 8.858 ( -0.067 2.228 1.192) 2.527 8.999 ( -0.313 -1.292 -1.088) 1.718 8.999 ( -0.313 1.292 -1.088) 1.718 12.207 ( -0.092 -0.255 0.155) 0.312 12.207 ( -0.092 0.255 0.155) 0.312 12.261 ( 0.105 -0.427 -0.175) 0.473 12.261 ( 0.105 0.427 -0.175) 0.473 15.754 ( 1.062 -0.909 1.015) 1.728 15.754 ( 1.062 0.909 1.015) 1.728 15.840 ( 0.696 -3.235 -1.670) 3.707 15.840 ( 0.696 3.235 -1.670) 3.707 16.105 ( -1.384 -0.467 0.859) 1.694 16.105 ( -1.384 0.467 0.859) 1.694 16.231 ( 0.124 -1.929 0.510) 1.999 16.231 ( 0.124 1.929 0.510) 1.999 17.892 ( -1.700 -2.761 1.697) 3.659 17.892 ( -1.700 2.761 1.697) 3.659 18.092 ( 1.753 -3.943 -2.644) 5.061 18.092 ( 1.753 3.943 -2.644) 5.061 ======================= Grid point 101 (54/90) ======================= q-point: (-0.29 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 1.377 -11.712 -4.199) 12.518 1.199 ( 1.377 11.712 -4.199) 12.518 1.318 ( -2.176 -6.145 6.573) 9.257 1.318 ( -2.176 6.145 6.573) 9.257 1.723 ( 2.255 -5.171 -3.205) 6.488 1.723 ( 2.255 5.171 -3.205) 6.488 1.893 ( -4.285 -5.685 8.424) 11.029 1.893 ( -4.285 5.685 8.424) 11.029 2.220 ( 0.751 -3.324 -1.563) 3.749 2.220 ( 0.751 3.324 -1.563) 3.749 2.430 ( 1.624 -2.526 -1.796) 3.499 2.430 ( 1.624 2.526 -1.796) 3.499 2.734 ( -0.245 -2.849 -0.468) 2.898 2.734 ( -0.245 2.849 -0.468) 2.898 2.879 ( 0.127 -2.240 0.031) 2.243 2.879 ( 0.127 2.240 0.031) 2.243 3.804 ( 0.596 -1.469 -2.300) 2.794 3.804 ( 0.596 1.469 -2.300) 2.794 3.990 ( 1.200 -3.560 -1.518) 4.052 3.990 ( 1.200 3.560 -1.518) 4.052 4.124 ( -2.578 -0.821 4.918) 5.613 4.124 ( -2.578 0.821 4.918) 5.613 4.503 ( 4.262 -1.315 -6.827) 8.155 4.503 ( 4.262 1.315 -6.827) 8.155 4.751 ( -2.775 -2.938 3.731) 5.501 4.751 ( -2.775 2.938 3.731) 5.501 5.028 ( 1.750 -0.632 -1.870) 2.638 5.028 ( 1.750 0.632 -1.870) 2.638 5.597 ( -0.750 -2.641 0.563) 2.802 5.597 ( -0.750 2.641 0.563) 2.802 5.682 ( -3.298 -1.493 3.437) 4.992 5.682 ( -3.298 1.493 3.437) 4.992 5.897 ( -0.814 -5.801 0.742) 5.904 5.897 ( -0.814 5.801 0.742) 5.904 6.131 ( 3.029 -2.806 -2.100) 4.632 6.131 ( 3.029 2.806 -2.100) 4.632 6.620 ( 0.692 -4.371 -2.029) 4.868 6.620 ( 0.692 4.371 -2.029) 4.868 6.751 ( -0.006 -4.320 1.461) 4.561 6.751 ( -0.006 4.320 1.461) 4.561 7.406 ( 0.303 -0.427 -0.258) 0.583 7.406 ( 0.303 0.427 -0.258) 0.583 7.508 ( -0.344 -2.016 0.680) 2.155 7.508 ( -0.344 2.016 0.680) 2.155 7.700 ( -2.046 -1.079 2.240) 3.220 7.700 ( -2.046 1.079 2.240) 3.220 7.954 ( 3.356 -3.000 -4.962) 6.700 7.954 ( 3.356 3.000 -4.962) 6.700 8.235 ( -2.136 -0.911 3.884) 4.526 8.235 ( -2.136 0.911 3.884) 4.526 8.373 ( 1.119 -1.798 -0.604) 2.202 8.373 ( 1.119 1.798 -0.604) 2.202 8.871 ( -0.004 -1.534 1.142) 1.912 8.871 ( -0.004 1.534 1.142) 1.912 8.978 ( -0.678 -1.646 -0.966) 2.026 8.978 ( -0.678 1.646 -0.966) 2.026 12.209 ( -0.000 -0.356 0.200) 0.408 12.209 ( -0.000 0.356 0.200) 0.408 12.261 ( 0.078 -0.409 -0.185) 0.456 12.261 ( 0.078 0.409 -0.185) 0.456 15.785 ( 1.462 -1.651 0.152) 2.211 15.785 ( 1.462 1.651 0.152) 2.211 15.855 ( 2.669 -2.159 -0.817) 3.529 15.855 ( 2.669 2.159 -0.817) 3.529 16.074 ( -2.862 -1.097 0.626) 3.129 16.074 ( -2.862 1.097 0.626) 3.129 16.234 ( -0.398 -2.474 0.366) 2.533 16.234 ( -0.398 2.474 0.366) 2.533 17.884 ( -1.474 -1.755 2.007) 3.046 17.884 ( -1.474 1.755 2.007) 3.046 18.099 ( 2.085 -6.875 -2.390) 7.571 18.099 ( 2.085 6.875 -2.390) 7.571 ======================= Grid point 103 (55/90) ======================= q-point: (-0.14 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 1.734 -13.673 -3.884) 14.320 1.180 ( 1.734 13.673 -3.884) 14.320 1.347 ( -2.249 -6.659 5.539) 8.949 1.347 ( -2.249 6.659 5.539) 8.949 1.722 ( 1.269 -5.109 -2.784) 5.955 1.722 ( 1.269 5.109 -2.784) 5.955 1.907 ( -3.906 -4.805 7.461) 9.696 1.907 ( -3.906 4.805 7.461) 9.696 2.219 ( 1.047 -3.171 -1.654) 3.726 2.219 ( 1.047 3.171 -1.654) 3.726 2.445 ( 1.540 -2.144 -0.709) 2.733 2.445 ( 1.540 2.144 -0.709) 2.733 2.725 ( -0.215 -2.879 -0.373) 2.911 2.725 ( -0.215 2.879 -0.373) 2.911 2.878 ( 0.049 -1.980 -0.321) 2.006 2.878 ( 0.049 1.980 -0.321) 2.006 3.798 ( 0.897 -2.041 -1.186) 2.525 3.798 ( 0.897 2.041 -1.186) 2.525 3.997 ( 1.101 -3.551 -1.058) 3.865 3.997 ( 1.101 3.551 -1.058) 3.865 4.131 ( -2.597 -0.606 4.733) 5.433 4.131 ( -2.597 0.606 4.733) 5.433 4.505 ( 4.377 -1.320 -6.935) 8.307 4.505 ( 4.377 1.320 -6.935) 8.307 4.740 ( -2.699 -2.829 3.280) 5.104 4.740 ( -2.699 2.829 3.280) 5.104 5.038 ( 1.666 -0.718 -1.904) 2.629 5.038 ( 1.666 0.718 -1.904) 2.629 5.582 ( -1.200 -1.978 0.241) 2.326 5.582 ( -1.200 1.978 0.241) 2.326 5.672 ( -2.772 -1.686 4.601) 5.630 5.672 ( -2.772 1.686 4.601) 5.630 5.892 ( -0.318 -5.673 0.171) 5.684 5.892 ( -0.318 5.673 0.171) 5.684 6.149 ( 2.183 -3.153 -3.407) 5.130 6.149 ( 2.183 3.153 -3.407) 5.130 6.615 ( 0.749 -4.875 -0.888) 5.012 6.615 ( 0.749 4.875 -0.888) 5.012 6.764 ( -0.002 -6.116 0.725) 6.159 6.764 ( -0.002 6.116 0.725) 6.159 7.410 ( 0.355 -0.372 -0.169) 0.541 7.410 ( 0.355 0.372 -0.169) 0.541 7.509 ( -0.286 -2.142 0.692) 2.269 7.509 ( -0.286 2.142 0.692) 2.269 7.686 ( -2.199 -1.169 2.319) 3.403 7.686 ( -2.199 1.169 2.319) 3.403 7.957 ( 3.296 -2.510 -5.429) 6.829 7.957 ( 3.296 2.510 -5.429) 6.829 8.236 ( -2.210 -0.627 3.535) 4.216 8.236 ( -2.210 0.627 3.535) 4.216 8.387 ( 1.030 -1.822 -0.502) 2.152 8.387 ( 1.030 1.822 -0.502) 2.152 8.880 ( -0.171 -0.752 0.847) 1.145 8.880 ( -0.171 0.752 0.847) 1.145 8.959 ( -0.415 -1.764 -0.588) 1.905 8.959 ( -0.415 1.764 -0.588) 1.905 12.211 ( -0.024 -0.386 0.290) 0.483 12.211 ( -0.024 0.386 0.290) 0.483 12.260 ( 0.079 -0.350 -0.225) 0.423 12.260 ( 0.079 0.350 -0.225) 0.423 15.810 ( 1.538 -1.835 -0.117) 2.397 15.810 ( 1.538 1.835 -0.117) 2.397 15.901 ( 2.830 -2.207 -0.410) 3.612 15.901 ( 2.830 2.207 -0.410) 3.612 16.029 ( -2.821 -1.506 0.701) 3.274 16.029 ( -2.821 1.506 0.701) 3.274 16.221 ( -0.922 -2.138 -0.587) 2.401 16.221 ( -0.922 2.138 -0.587) 2.401 17.885 ( -1.285 -0.457 2.749) 3.069 17.885 ( -1.285 0.457 2.749) 3.069 18.111 ( 1.905 -8.428 -2.092) 8.890 18.111 ( 1.905 8.428 -2.092) 8.890 ======================= Grid point 126 (56/90) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( 0.727 0.000 16.656) 16.671 0.709 ( -8.408 0.000 15.261) 17.423 0.849 ( 3.237 0.000 -15.942) 16.267 1.021 ( 8.031 0.000 -14.336) 16.432 1.373 ( -11.644 0.000 23.783) 26.481 1.642 ( 2.582 0.000 -4.952) 5.585 1.896 ( -5.524 0.000 10.708) 12.049 2.089 ( 3.555 0.000 -8.989) 9.667 2.215 ( -0.633 0.000 0.557) 0.843 2.280 ( 5.784 0.000 -6.300) 8.552 2.409 ( -4.672 0.000 5.219) 7.004 2.495 ( 3.089 0.000 -3.673) 4.800 2.639 ( -3.041 0.000 5.340) 6.145 2.742 ( 2.948 0.000 -4.623) 5.483 2.936 ( -1.302 0.000 1.283) 1.827 2.953 ( 0.515 0.000 -0.537) 0.744 3.898 ( -0.693 0.000 1.271) 1.448 3.946 ( 2.039 0.000 -3.910) 4.410 3.997 ( -1.651 0.000 1.252) 2.072 4.040 ( 3.137 0.000 -3.133) 4.433 4.289 ( -0.251 0.000 1.016) 1.046 4.295 ( -1.161 0.000 0.694) 1.352 4.374 ( 0.443 0.000 1.042) 1.133 4.403 ( 0.373 0.000 -1.780) 1.818 4.635 ( -3.141 0.000 6.641) 7.346 4.689 ( -2.948 0.000 6.324) 6.978 4.728 ( 2.214 0.000 -3.422) 4.076 4.843 ( 0.989 0.000 -8.370) 8.429 5.032 ( -1.851 0.000 1.669) 2.492 5.085 ( 2.255 0.000 -3.300) 3.997 5.371 ( 0.475 0.000 1.824) 1.884 5.384 ( -2.463 0.000 0.355) 2.489 5.787 ( -0.858 0.000 1.229) 1.499 5.790 ( 0.187 0.000 4.406) 4.410 5.851 ( 1.646 0.000 -5.509) 5.750 5.881 ( -0.774 0.000 -4.799) 4.861 6.327 ( -3.755 0.000 2.765) 4.663 6.372 ( 2.365 0.000 -1.604) 2.858 6.902 ( 1.375 0.000 2.674) 3.007 6.948 ( -1.650 0.000 -1.994) 2.588 7.202 ( -0.673 0.000 1.432) 1.582 7.234 ( 0.908 0.000 -1.821) 2.035 7.493 ( -1.079 0.000 1.116) 1.552 7.512 ( 1.015 0.000 -0.843) 1.319 7.733 ( 0.658 0.000 1.709) 1.831 7.769 ( -0.490 0.000 -1.990) 2.049 7.909 ( -4.220 0.000 4.152) 5.920 8.002 ( 4.133 0.000 -5.610) 6.968 8.295 ( 1.481 0.000 1.454) 2.075 8.315 ( -1.808 0.000 -0.297) 1.832 8.606 ( -0.731 0.000 1.939) 2.072 8.638 ( 0.551 0.000 -1.298) 1.410 9.097 ( -4.551 0.000 1.534) 4.803 9.126 ( 4.439 0.000 -1.431) 4.664 9.315 ( -5.860 0.000 0.844) 5.920 9.325 ( 2.267 0.000 -0.102) 2.269 12.290 ( 0.067 0.000 -0.012) 0.068 12.295 ( 0.136 0.000 -0.490) 0.509 12.376 ( -0.801 0.000 1.004) 1.284 12.389 ( 0.701 0.000 -0.334) 0.777 15.442 ( 0.206 0.000 1.530) 1.544 15.469 ( -0.386 0.000 -1.274) 1.331 15.705 ( -2.492 0.000 0.674) 2.581 15.719 ( 2.559 0.000 -0.698) 2.652 16.032 ( 1.478 0.000 2.649) 3.033 16.086 ( -1.810 0.000 -2.858) 3.383 16.293 ( -2.354 0.000 0.474) 2.402 16.301 ( 0.437 0.000 -0.362) 0.568 17.912 ( 4.345 0.000 1.374) 4.557 17.943 ( -4.078 0.000 -1.800) 4.457 18.782 ( -2.425 0.000 1.392) 2.796 18.809 ( 1.679 0.000 -1.371) 2.167 ======================= Grid point 127 (57/90) ======================= q-point: ( 0.14 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( -0.263 0.000 -6.620) 6.626 0.694 ( 2.058 0.000 12.476) 12.645 0.791 ( -1.162 0.000 2.930) 3.152 1.009 ( 8.729 0.000 -15.112) 17.452 1.389 ( -13.822 0.000 20.319) 24.575 1.625 ( 2.642 0.000 -6.343) 6.871 1.922 ( -5.177 0.000 11.364) 12.487 2.063 ( 4.090 0.000 -8.108) 9.081 2.211 ( 0.066 0.000 -0.318) 0.325 2.296 ( 4.683 0.000 -7.873) 9.161 2.385 ( -4.900 0.000 5.889) 7.661 2.515 ( 3.330 0.000 -3.171) 4.598 2.637 ( -3.701 0.000 5.369) 6.521 2.737 ( 2.607 0.000 -5.266) 5.876 2.931 ( -1.051 0.000 1.682) 1.983 2.959 ( 0.628 0.000 -0.334) 0.711 3.890 ( -1.853 0.000 1.473) 2.367 3.929 ( 0.981 0.000 -3.960) 4.079 3.986 ( -0.865 0.000 0.852) 1.214 4.062 ( 3.203 0.000 -3.381) 4.657 4.276 ( -1.507 0.000 0.216) 1.522 4.290 ( -1.493 0.000 2.087) 2.566 4.387 ( -0.255 0.000 0.843) 0.881 4.391 ( 0.808 0.000 -2.257) 2.397 4.653 ( -2.611 0.000 5.687) 6.258 4.701 ( -4.760 0.000 8.515) 9.755 4.727 ( 2.332 0.000 -4.016) 4.644 4.766 ( -0.919 0.000 -5.288) 5.367 5.014 ( -2.987 0.000 3.463) 4.573 5.088 ( 2.116 0.000 -3.290) 3.912 5.348 ( -2.158 0.000 0.681) 2.263 5.394 ( -0.495 0.000 2.261) 2.314 5.805 ( 0.160 0.000 3.015) 3.019 5.826 ( 1.581 0.000 -2.086) 2.618 5.828 ( 0.369 0.000 -3.958) 3.975 5.862 ( 2.035 0.000 2.505) 3.228 6.299 ( -2.913 0.000 2.726) 3.990 6.390 ( 0.898 0.000 -0.574) 1.066 6.893 ( -1.878 0.000 -1.913) 2.681 6.952 ( 0.974 0.000 2.281) 2.481 7.205 ( -0.864 0.000 1.473) 1.708 7.230 ( 0.841 0.000 -1.804) 1.990 7.486 ( -0.989 0.000 1.035) 1.431 7.521 ( 1.058 0.000 -0.944) 1.418 7.739 ( -0.199 0.000 -2.186) 2.195 7.752 ( -0.983 0.000 1.789) 2.042 7.896 ( -2.589 0.000 4.918) 5.558 8.024 ( 4.485 0.000 -4.662) 6.469 8.277 ( -1.593 0.000 -0.792) 1.779 8.333 ( 1.142 0.000 1.071) 1.566 8.589 ( -2.722 0.000 0.848) 2.851 8.589 ( -4.551 0.000 0.408) 4.569 9.045 ( -2.622 0.000 1.609) 3.076 9.182 ( 3.467 0.000 -1.997) 4.001 9.270 ( -2.119 0.000 2.533) 3.303 9.382 ( 2.557 0.000 2.204) 3.375 12.294 ( 0.334 0.000 0.102) 0.349 12.295 ( 0.430 0.000 -0.403) 0.590 12.369 ( -0.970 0.000 0.735) 1.217 12.392 ( 0.223 0.000 -0.599) 0.640 15.449 ( -0.315 0.000 -1.208) 1.249 15.462 ( 0.121 0.000 1.453) 1.458 15.668 ( -2.441 0.000 0.795) 2.567 15.755 ( 2.312 0.000 -0.862) 2.467 16.039 ( -0.077 0.000 -2.416) 2.418 16.094 ( 1.742 0.000 2.607) 3.136 16.292 ( 0.504 0.000 1.491) 1.574 16.324 ( 1.558 0.000 1.549) 2.197 17.868 ( -2.157 0.000 -2.069) 2.989 18.025 ( 6.681 0.000 1.535) 6.855 18.681 ( -10.773 0.000 4.437) 11.650 18.745 ( -6.915 0.000 -3.311) 7.666 ======================= Grid point 128 (58/90) ======================= q-point: ( 0.29 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 4.819 0.000 -8.095) 9.421 0.809 ( -1.260 0.000 6.309) 6.433 0.820 ( -1.818 0.000 6.306) 6.563 1.006 ( 9.200 0.000 -14.220) 16.937 1.334 ( -16.011 0.000 19.049) 24.884 1.606 ( 4.556 0.000 -8.860) 9.963 1.949 ( -5.754 0.000 11.101) 12.504 2.061 ( 4.807 0.000 -6.703) 8.248 2.211 ( 0.940 0.000 -1.229) 1.547 2.278 ( 3.135 0.000 -7.887) 8.488 2.370 ( -4.573 0.000 7.101) 8.446 2.536 ( 2.881 0.000 -3.465) 4.507 2.627 ( -3.971 0.000 5.526) 6.805 2.725 ( 2.595 0.000 -5.226) 5.835 2.935 ( -0.670 0.000 1.834) 1.952 2.966 ( 0.485 0.000 -0.257) 0.549 3.869 ( -2.083 0.000 1.255) 2.432 3.902 ( 0.973 0.000 -3.923) 4.041 3.987 ( 0.000 0.000 0.728) 0.728 4.074 ( 2.489 0.000 -3.812) 4.553 4.254 ( -1.301 0.000 0.481) 1.387 4.288 ( -1.242 0.000 2.300) 2.614 4.382 ( -0.733 0.000 0.089) 0.738 4.383 ( 1.185 0.000 -2.643) 2.897 4.659 ( -2.257 0.000 3.647) 4.288 4.704 ( -6.012 0.000 9.356) 11.121 4.707 ( -0.937 0.000 -2.354) 2.533 4.730 ( 2.737 0.000 -3.686) 4.591 5.007 ( -2.490 0.000 4.114) 4.808 5.090 ( 2.185 0.000 -3.463) 4.095 5.327 ( -1.237 0.000 1.102) 1.656 5.397 ( -1.542 0.000 1.581) 2.208 5.813 ( 1.520 0.000 -2.049) 2.552 5.838 ( 2.843 0.000 -2.832) 4.012 5.844 ( 0.212 0.000 2.948) 2.955 5.915 ( 0.642 0.000 2.079) 2.176 6.283 ( -2.059 0.000 2.389) 3.154 6.384 ( -1.407 0.000 0.119) 1.412 6.857 ( -0.525 0.000 -0.159) 0.548 6.975 ( -0.320 0.000 0.784) 0.847 7.204 ( -1.044 0.000 1.441) 1.779 7.226 ( 0.937 0.000 -1.725) 1.963 7.482 ( -0.808 0.000 1.177) 1.428 7.526 ( 0.824 0.000 -1.224) 1.476 7.719 ( 0.643 0.000 -2.220) 2.312 7.736 ( -2.548 0.000 1.511) 2.962 7.916 ( -1.809 0.000 5.252) 5.555 8.049 ( 3.673 0.000 -4.556) 5.853 8.252 ( -0.329 0.000 -0.287) 0.437 8.350 ( 0.175 0.000 -0.451) 0.483 8.522 ( -4.434 0.000 2.495) 5.088 8.547 ( -1.796 0.000 -0.243) 1.812 9.039 ( -0.572 0.000 1.961) 2.042 9.196 ( 1.800 0.000 -3.680) 4.097 9.278 ( -0.418 0.000 2.848) 2.878 9.430 ( -0.293 0.000 2.134) 2.154 12.300 ( 0.575 0.000 -0.329) 0.663 12.301 ( 0.330 0.000 0.148) 0.362 12.361 ( -0.827 0.000 0.681) 1.071 12.385 ( -0.116 0.000 -0.769) 0.777 15.436 ( 0.103 0.000 -0.834) 0.840 15.469 ( -0.662 0.000 0.496) 0.827 15.650 ( -1.221 0.000 2.204) 2.520 15.774 ( 1.424 0.000 -1.720) 2.233 16.032 ( 1.494 0.000 -1.374) 2.030 16.127 ( -0.102 0.000 0.619) 0.627 16.335 ( 2.355 0.000 1.777) 2.950 16.383 ( 0.785 0.000 4.627) 4.693 17.829 ( -0.426 0.000 -0.820) 0.924 18.169 ( 8.601 0.000 0.269) 8.605 18.502 ( -11.656 0.000 -10.038) 15.382 18.536 ( -11.974 0.000 5.937) 13.365 ======================= Grid point 129 (59/90) ======================= q-point: ( 0.43 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 0.991 0.000 2.281) 2.487 0.772 ( -6.926 0.000 0.970) 6.993 0.864 ( 2.826 0.000 0.812) 2.940 1.023 ( 8.682 0.000 -12.453) 15.181 1.265 ( -16.301 0.000 21.319) 26.837 1.592 ( 5.958 0.000 -10.851) 12.379 1.953 ( -6.879 0.000 10.126) 12.242 2.085 ( 5.443 0.000 -5.661) 7.853 2.216 ( 1.196 0.000 -1.513) 1.929 2.245 ( 2.067 0.000 -6.368) 6.695 2.382 ( -3.285 0.000 7.897) 8.554 2.535 ( 2.054 0.000 -4.744) 5.169 2.619 ( -3.808 0.000 5.708) 6.862 2.720 ( 2.877 0.000 -4.686) 5.498 2.945 ( -0.454 0.000 1.697) 1.757 2.969 ( 0.199 0.000 -0.355) 0.407 3.850 ( -1.188 0.000 0.833) 1.451 3.886 ( 2.108 0.000 -3.888) 4.423 3.999 ( 0.314 0.000 0.948) 0.998 4.067 ( 1.502 0.000 -3.955) 4.230 4.249 ( -0.522 0.000 1.762) 1.838 4.296 ( -0.247 0.000 1.278) 1.301 4.368 ( -0.561 0.000 -0.542) 0.780 4.372 ( 0.995 0.000 -2.982) 3.143 4.658 ( -1.767 0.000 2.773) 3.289 4.680 ( -0.526 0.000 -0.457) 0.697 4.688 ( -6.262 0.000 7.656) 9.891 4.750 ( 3.636 0.000 -2.840) 4.613 5.012 ( -2.107 0.000 4.124) 4.631 5.090 ( 2.133 0.000 -3.571) 4.160 5.330 ( -0.313 0.000 1.845) 1.872 5.378 ( -1.671 0.000 0.377) 1.713 5.826 ( 0.393 0.000 0.183) 0.434 5.854 ( 0.999 0.000 -1.614) 1.898 5.872 ( 0.565 0.000 1.826) 1.912 5.928 ( 1.205 0.000 -1.712) 2.094 6.283 ( -0.733 0.000 2.537) 2.641 6.349 ( -2.314 0.000 -0.060) 2.315 6.875 ( 1.388 0.000 1.753) 2.236 6.957 ( -1.652 0.000 -0.805) 1.837 7.200 ( -1.099 0.000 1.399) 1.779 7.226 ( 1.128 0.000 -1.652) 2.001 7.483 ( -0.601 0.000 1.475) 1.593 7.523 ( 0.488 0.000 -1.501) 1.578 7.706 ( -2.283 0.000 1.097) 2.533 7.715 ( 1.550 0.000 -2.018) 2.544 7.936 ( -2.296 0.000 5.118) 5.609 8.051 ( 2.664 0.000 -5.172) 5.818 8.262 ( 0.811 0.000 0.933) 1.236 8.330 ( -0.720 0.000 -1.937) 2.066 8.493 ( -2.764 0.000 3.653) 4.581 8.531 ( 0.076 0.000 -0.294) 0.304 9.060 ( 0.014 0.000 2.657) 2.657 9.171 ( 0.632 0.000 -4.661) 4.703 9.315 ( 0.669 0.000 3.598) 3.659 9.417 ( -2.012 0.000 -0.308) 2.036 12.306 ( -0.016 0.000 0.141) 0.142 12.307 ( 0.557 0.000 -0.277) 0.622 12.356 ( -0.523 0.000 0.691) 0.867 12.375 ( -0.065 0.000 -0.790) 0.793 15.436 ( 0.658 0.000 -0.368) 0.754 15.452 ( -1.223 0.000 -0.162) 1.234 15.671 ( -0.085 0.000 3.382) 3.383 15.767 ( 0.433 0.000 -2.694) 2.728 16.057 ( 2.196 0.000 -0.171) 2.203 16.109 ( -1.647 0.000 -0.729) 1.801 16.408 ( 3.657 0.000 1.788) 4.070 16.425 ( -1.938 0.000 4.383) 4.793 17.841 ( 0.933 0.000 2.741) 2.895 18.189 ( -8.572 0.000 -12.874) 15.467 18.324 ( 9.934 0.000 -1.650) 10.070 18.396 ( -11.115 0.000 5.525) 12.413 ======================= Grid point 130 (60/90) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -11.024 0.000 1.454) 11.119 0.688 ( -6.733 0.000 11.613) 13.424 0.936 ( 7.805 0.000 -5.381) 9.480 1.036 ( 8.026 0.000 -12.211) 14.612 1.226 ( -16.435 0.000 24.968) 29.892 1.584 ( 6.242 0.000 -10.296) 12.040 1.932 ( -7.335 0.000 9.363) 11.894 2.122 ( 5.432 0.000 -5.781) 7.932 2.220 ( 1.919 0.000 -4.701) 5.078 2.220 ( 0.985 0.000 -1.284) 1.618 2.417 ( -2.580 0.000 7.611) 8.036 2.513 ( 2.020 0.000 -5.690) 6.038 2.617 ( -3.397 0.000 5.616) 6.564 2.722 ( 2.985 0.000 -4.493) 5.394 2.953 ( -0.550 0.000 1.390) 1.495 2.965 ( 0.010 0.000 -0.557) 0.557 3.849 ( 0.146 0.000 0.527) 0.547 3.893 ( 3.465 0.000 -3.952) 5.256 4.014 ( -0.064 0.000 1.250) 1.251 4.046 ( 1.047 0.000 -3.779) 3.922 4.269 ( -0.245 0.000 2.807) 2.817 4.296 ( 0.541 0.000 -2.120) 2.188 4.354 ( -0.246 0.000 -0.590) 0.639 4.365 ( 1.106 0.000 -1.044) 1.521 4.652 ( -4.721 0.000 5.794) 7.474 4.663 ( -2.229 0.000 2.842) 3.611 4.678 ( 0.305 0.000 0.297) 0.425 4.798 ( 5.197 0.000 -2.550) 5.788 5.019 ( -2.153 0.000 3.917) 4.470 5.087 ( 2.077 0.000 -3.745) 4.283 5.353 ( -1.140 0.000 -0.205) 1.159 5.354 ( 0.350 0.000 2.533) 2.557 5.813 ( -2.611 0.000 1.704) 3.118 5.825 ( -3.010 0.000 0.319) 3.027 5.917 ( 2.666 0.000 0.658) 2.746 5.937 ( 3.497 0.000 -4.973) 6.080 6.311 ( 0.222 0.000 3.274) 3.281 6.317 ( -0.722 0.000 -0.341) 0.798 6.909 ( -2.110 0.000 -1.556) 2.621 6.929 ( 1.990 0.000 2.050) 2.857 7.196 ( -0.995 0.000 1.391) 1.711 7.230 ( 1.273 0.000 -1.645) 2.080 7.491 ( -0.577 0.000 1.712) 1.807 7.513 ( 0.362 0.000 -1.539) 1.581 7.686 ( -1.210 0.000 1.004) 1.572 7.731 ( 2.363 0.000 -1.521) 2.811 7.948 ( -2.591 0.000 5.264) 5.867 8.038 ( 2.577 0.000 -5.403) 5.986 8.292 ( 0.830 0.000 1.729) 1.918 8.292 ( -0.989 0.000 -2.018) 2.248 8.497 ( -1.534 0.000 3.666) 3.974 8.535 ( 0.864 0.000 -0.717) 1.123 9.091 ( -0.209 0.000 3.439) 3.445 9.127 ( 0.119 0.000 -4.447) 4.448 9.369 ( -1.780 0.000 -1.798) 2.530 9.377 ( 1.749 0.000 3.918) 4.290 12.304 ( -0.366 0.000 0.052) 0.370 12.311 ( 0.217 0.000 -0.321) 0.387 12.359 ( -0.166 0.000 0.858) 0.873 12.369 ( 0.399 0.000 -0.678) 0.787 15.431 ( -0.984 0.000 0.056) 0.986 15.450 ( 1.146 0.000 0.043) 1.147 15.707 ( -0.065 0.000 3.348) 3.349 15.736 ( -0.127 0.000 -3.259) 3.262 16.063 ( -2.430 0.000 -0.806) 2.561 16.097 ( 2.071 0.000 0.432) 2.116 16.408 ( -3.437 0.000 1.664) 3.818 16.486 ( 3.980 0.000 -0.757) 4.052 17.940 ( 3.110 0.000 10.820) 11.258 17.963 ( -3.822 0.000 -8.988) 9.767 18.268 ( -9.538 0.000 4.122) 10.390 18.477 ( 10.573 0.000 -3.047) 11.004 ======================= Grid point 131 (61/90) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( -12.807 0.000 6.040) 14.160 0.686 ( -9.803 0.000 15.677) 18.490 0.990 ( 6.508 0.000 -9.239) 11.301 1.040 ( 7.605 0.000 -12.539) 14.665 1.237 ( -14.688 0.000 28.036) 31.651 1.597 ( 6.403 0.000 -7.710) 10.022 1.904 ( -7.035 0.000 9.230) 11.605 2.140 ( 4.463 0.000 -7.154) 8.432 2.215 ( 2.992 0.000 -3.946) 4.953 2.222 ( 0.422 0.000 -0.655) 0.779 2.442 ( -3.411 0.000 6.412) 7.263 2.492 ( 2.601 0.000 -5.482) 6.068 2.621 ( -2.883 0.000 5.257) 5.996 2.727 ( 3.025 0.000 -4.296) 5.254 2.954 ( -0.885 0.000 1.083) 1.399 2.959 ( 0.052 0.000 -0.727) 0.729 3.865 ( 0.927 0.000 0.541) 1.074 3.918 ( 4.009 0.000 -3.962) 5.637 4.020 ( -0.954 0.000 1.437) 1.725 4.028 ( 1.461 0.000 -3.497) 3.789 4.279 ( 0.885 0.000 -2.540) 2.690 4.291 ( -0.498 0.000 2.347) 2.399 4.349 ( 0.015 0.000 0.066) 0.067 4.386 ( 1.809 0.000 -0.379) 1.848 4.631 ( -4.736 0.000 6.358) 7.928 4.663 ( -1.185 0.000 2.352) 2.634 4.695 ( 1.589 0.000 -0.399) 1.639 4.866 ( 6.997 0.000 -5.579) 8.949 5.021 ( -2.164 0.000 3.777) 4.353 5.083 ( 2.186 0.000 -3.863) 4.438 5.339 ( -0.313 0.000 0.123) 0.336 5.391 ( 0.661 0.000 2.276) 2.370 5.778 ( -3.018 0.000 1.465) 3.354 5.792 ( -1.607 0.000 1.916) 2.500 5.929 ( 2.134 0.000 -5.851) 6.228 5.957 ( 1.801 0.000 -1.289) 2.215 6.320 ( 1.642 0.000 -0.943) 1.893 6.351 ( -0.298 0.000 3.581) 3.594 6.865 ( -1.034 0.000 -0.827) 1.324 6.974 ( 1.125 0.000 0.897) 1.439 7.196 ( -0.798 0.000 1.404) 1.615 7.234 ( 1.257 0.000 -1.697) 2.112 7.497 ( -0.795 0.000 1.663) 1.844 7.506 ( 0.541 0.000 -1.274) 1.384 7.686 ( -0.147 0.000 1.145) 1.155 7.762 ( 2.664 0.000 -1.110) 2.886 7.955 ( -3.192 0.000 5.127) 6.039 8.025 ( 2.682 0.000 -5.875) 6.458 8.260 ( -0.476 0.000 -1.129) 1.225 8.324 ( 0.474 0.000 2.009) 2.065 8.521 ( 0.620 0.000 3.084) 3.146 8.548 ( 1.526 0.000 -0.392) 1.575 9.090 ( 0.632 0.000 -3.470) 3.527 9.121 ( -0.961 0.000 3.833) 3.952 9.326 ( -0.743 0.000 -1.900) 2.040 9.446 ( 2.129 0.000 1.324) 2.507 12.297 ( -0.349 0.000 -0.040) 0.351 12.307 ( -0.130 0.000 -0.421) 0.441 12.367 ( -0.153 0.000 1.107) 1.117 12.373 ( 0.708 0.000 -0.602) 0.929 15.422 ( -0.502 0.000 0.576) 0.764 15.472 ( 1.130 0.000 0.071) 1.132 15.701 ( 0.260 0.000 -2.959) 2.970 15.733 ( -0.786 0.000 2.542) 2.661 16.017 ( -2.119 0.000 0.101) 2.121 16.130 ( 1.230 0.000 0.105) 1.234 16.357 ( -2.859 0.000 -0.276) 2.873 16.497 ( 0.816 0.000 -6.526) 6.577 17.860 ( -0.532 0.000 -3.887) 3.923 18.152 ( -7.756 0.000 2.055) 8.023 18.219 ( 10.700 0.000 19.770) 22.479 18.623 ( 10.012 0.000 -3.411) 10.577 ======================= Grid point 132 (62/90) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( -7.269 0.000 15.609) 17.218 0.690 ( -9.761 0.000 17.141) 19.725 0.955 ( 3.665 0.000 -13.557) 14.043 1.033 ( 7.512 0.000 -13.264) 15.244 1.303 ( -12.141 0.000 27.099) 29.695 1.631 ( 4.969 0.000 -5.311) 7.273 1.889 ( -6.306 0.000 9.786) 11.641 2.124 ( 3.594 0.000 -8.720) 9.432 2.220 ( -0.396 0.000 0.240) 0.463 2.240 ( 4.937 0.000 -4.486) 6.670 2.434 ( -4.523 0.000 5.387) 7.034 2.487 ( 2.930 0.000 -4.567) 5.426 2.630 ( -2.585 0.000 5.269) 5.869 2.735 ( 3.079 0.000 -4.176) 5.188 2.946 ( -1.213 0.000 1.006) 1.576 2.953 ( 0.256 0.000 -0.726) 0.770 3.887 ( 0.585 0.000 0.874) 1.052 3.941 ( 3.289 0.000 -3.873) 5.081 4.013 ( -1.679 0.000 1.511) 2.258 4.025 ( 2.411 0.000 -3.284) 4.074 4.279 ( 0.884 0.000 -0.546) 1.039 4.301 ( -0.720 0.000 1.390) 1.565 4.356 ( 0.339 0.000 0.718) 0.794 4.406 ( 1.255 0.000 -1.153) 1.704 4.625 ( -3.850 0.000 6.431) 7.495 4.673 ( -1.689 0.000 4.081) 4.417 4.718 ( 2.304 0.000 -1.938) 3.011 4.892 ( 4.634 0.000 -9.170) 10.275 5.031 ( -0.489 0.000 2.140) 2.195 5.082 ( 2.335 0.000 -3.664) 4.345 5.347 ( 0.448 0.000 0.945) 1.046 5.410 ( -0.620 0.000 0.622) 0.878 5.761 ( -1.559 0.000 2.988) 3.370 5.794 ( -0.165 0.000 0.267) 0.313 5.891 ( 1.205 0.000 -6.105) 6.223 5.941 ( -0.313 0.000 -3.858) 3.871 6.345 ( 2.633 0.000 -1.639) 3.101 6.360 ( -2.642 0.000 2.562) 3.680 6.862 ( 0.532 0.000 1.085) 1.208 6.982 ( -0.372 0.000 -0.761) 0.847 7.198 ( -0.631 0.000 1.402) 1.537 7.236 ( 1.093 0.000 -1.770) 2.080 7.498 ( -1.023 0.000 1.386) 1.722 7.505 ( 0.809 0.000 -0.977) 1.268 7.704 ( 0.589 0.000 1.390) 1.510 7.785 ( 1.220 0.000 -1.578) 1.995 7.941 ( -4.239 0.000 4.271) 6.018 8.006 ( 2.893 0.000 -6.358) 6.985 8.261 ( 0.888 0.000 0.569) 1.054 8.338 ( -0.898 0.000 0.797) 1.201 8.580 ( 1.423 0.000 1.071) 1.781 8.591 ( 4.095 0.000 1.052) 4.228 9.083 ( 2.472 0.000 -2.404) 3.449 9.133 ( -2.217 0.000 3.011) 3.739 9.308 ( 0.666 0.000 -1.304) 1.465 9.432 ( -3.426 0.000 -3.157) 4.658 12.291 ( -0.193 0.000 -0.075) 0.208 12.300 ( -0.104 0.000 -0.498) 0.508 12.375 ( -0.410 0.000 1.197) 1.265 12.379 ( 0.691 0.000 -0.369) 0.783 15.426 ( -0.070 0.000 1.122) 1.124 15.483 ( 0.264 0.000 -0.665) 0.716 15.692 ( 1.651 0.000 -1.668) 2.347 15.732 ( -1.759 0.000 1.467) 2.290 16.001 ( -0.547 0.000 1.471) 1.569 16.134 ( -0.350 0.000 -1.442) 1.484 16.314 ( -1.199 0.000 -0.754) 1.416 16.384 ( -4.627 0.000 -5.322) 7.052 17.851 ( 1.945 0.000 -0.407) 1.987 18.042 ( -5.953 0.000 -0.210) 5.957 18.637 ( 13.764 0.000 9.493) 16.720 18.745 ( 7.433 0.000 -2.578) 7.867 ======================= Grid point 133 (63/90) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( 1.385 2.396 15.611) 15.855 0.813 ( 2.030 2.231 -14.014) 14.335 0.942 ( -4.723 14.665 10.225) 18.491 1.178 ( 6.082 12.490 -12.258) 18.527 1.445 ( -11.520 7.039 20.816) 24.810 1.679 ( 2.456 3.606 -3.389) 5.525 1.937 ( -4.845 2.987 8.974) 10.627 2.110 ( 3.236 1.340 -8.064) 8.792 2.171 ( -0.455 -3.646 0.884) 3.779 2.235 ( 4.739 -3.143 -5.198) 7.705 2.408 ( -3.535 -0.320 4.611) 5.819 2.504 ( 3.035 0.438 -4.805) 5.701 2.654 ( -2.686 1.398 4.943) 5.797 2.750 ( 2.698 0.631 -4.444) 5.237 2.931 ( -0.552 -0.776 1.140) 1.486 2.945 ( -0.183 -0.844 -0.477) 0.986 3.854 ( -0.367 -4.239 1.516) 4.517 3.907 ( 1.666 -4.001 -4.029) 5.917 4.002 ( -0.459 -0.583 0.687) 1.011 4.037 ( 2.280 1.683 -2.669) 3.893 4.257 ( -2.375 -2.107 2.230) 3.880 4.285 ( 0.595 -0.390 0.240) 0.751 4.389 ( -0.935 1.856 1.170) 2.385 4.427 ( 2.311 0.215 -2.116) 3.141 4.675 ( -2.129 3.535 3.717) 5.554 4.719 ( 1.553 -1.390 -1.320) 2.467 4.723 ( -2.130 3.569 5.286) 6.724 4.852 ( 0.337 1.103 -6.516) 6.617 5.109 ( -2.431 9.363 4.158) 10.530 5.177 ( 1.793 8.810 -3.029) 9.487 5.445 ( -1.099 6.091 1.375) 6.341 5.465 ( -0.378 7.096 -0.953) 7.169 5.709 ( 0.268 -2.566 2.642) 3.693 5.788 ( 1.099 -2.353 -5.445) 6.033 5.884 ( -0.808 4.066 3.474) 5.408 5.973 ( 0.286 5.088 -5.596) 7.569 6.340 ( -2.622 1.708 2.130) 3.785 6.375 ( 1.833 0.659 -1.143) 2.259 6.895 ( 1.446 -0.699 2.671) 3.117 6.940 ( -1.618 -0.794 -1.914) 2.629 7.252 ( -0.720 4.711 2.244) 5.268 7.307 ( 0.769 6.135 -3.600) 7.155 7.492 ( -1.050 -0.100 1.201) 1.598 7.514 ( 1.073 0.138 -0.971) 1.453 7.720 ( 0.248 -1.189 1.666) 2.062 7.754 ( -0.075 -1.285 -1.814) 2.224 7.894 ( -4.114 -1.474 4.067) 5.970 7.986 ( 4.289 -1.579 -5.509) 7.159 8.291 ( 1.201 -0.294 1.307) 1.799 8.309 ( -1.553 -0.572 -0.203) 1.667 8.567 ( -0.655 -4.033 1.483) 4.346 8.579 ( -0.073 -4.631 0.346) 4.645 9.069 ( -4.510 -2.728 1.323) 5.434 9.094 ( 4.294 -3.107 -1.227) 5.440 9.243 ( -4.366 -6.310 2.073) 7.948 9.270 ( 2.020 -5.231 -0.747) 5.657 12.278 ( -0.114 -1.105 0.098) 1.115 12.285 ( 0.301 -0.958 -0.557) 1.148 12.357 ( -0.785 -1.847 0.979) 2.233 12.370 ( 0.653 -1.822 -0.380) 1.972 15.535 ( -0.589 5.999 0.334) 6.037 15.561 ( 1.164 9.200 -3.026) 9.755 15.747 ( -0.941 4.286 0.802) 4.461 15.765 ( 1.126 4.413 -0.983) 4.660 16.025 ( 1.514 -0.634 2.448) 2.947 16.075 ( -1.751 -1.046 -2.632) 3.330 16.270 ( -1.850 -2.355 0.402) 3.022 16.277 ( 0.035 -2.285 -0.335) 2.310 17.908 ( 4.110 -0.286 1.020) 4.244 17.932 ( -3.890 -1.035 -1.405) 4.263 18.610 ( -2.403 -14.448 7.280) 16.356 18.705 ( 1.703 -9.748 -3.352) 10.448 ======================= Grid point 134 (64/90) ======================= q-point: ( 0.14 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 2.623 1.068 -2.035) 3.487 0.727 ( 5.833 1.690 -4.226) 7.398 0.974 ( -5.288 16.097 11.048) 20.227 1.151 ( 6.221 11.506 -12.542) 18.121 1.443 ( -12.944 5.452 18.396) 23.145 1.677 ( 2.460 4.861 -4.527) 7.083 1.956 ( -4.564 2.461 9.751) 11.044 2.087 ( 3.460 1.868 -6.785) 7.841 2.173 ( 0.325 -3.558 -0.315) 3.586 2.249 ( 3.625 -2.925 -6.151) 7.716 2.394 ( -3.405 0.211 4.182) 5.397 2.515 ( 3.281 -0.205 -3.617) 4.888 2.653 ( -3.347 1.510 4.815) 6.056 2.743 ( 2.254 0.493 -4.928) 5.441 2.927 ( -0.836 -0.579 0.952) 1.393 2.947 ( 0.274 -1.184 0.322) 1.257 3.854 ( -1.464 -3.982 1.346) 4.451 3.890 ( 1.128 -3.321 -3.711) 5.106 3.997 ( -0.379 -0.197 -0.095) 0.437 4.049 ( 2.450 0.573 -2.957) 3.883 4.236 ( -2.554 -1.780 2.031) 3.717 4.292 ( -0.645 -0.606 1.186) 1.480 4.384 ( -0.354 1.896 0.108) 1.932 4.439 ( 1.998 0.897 -2.765) 3.527 4.672 ( -1.912 1.833 2.443) 3.603 4.725 ( 0.495 -0.679 -1.376) 1.612 4.742 ( -3.327 3.594 6.912) 8.471 4.788 ( -0.675 2.809 -3.817) 4.787 5.111 ( -2.293 10.129 3.992) 11.126 5.178 ( 1.912 8.779 -2.855) 9.428 5.426 ( -2.130 6.912 1.418) 7.371 5.460 ( -0.757 6.095 1.025) 6.227 5.741 ( 0.895 -2.884 -0.033) 3.020 5.770 ( 2.240 -1.775 -2.129) 3.564 5.921 ( -0.592 3.653 5.233) 6.409 5.931 ( 1.253 4.835 -4.359) 6.629 6.320 ( -2.154 2.242 1.881) 3.634 6.389 ( 0.703 0.401 -0.537) 0.972 6.884 ( -1.922 -0.751 -1.858) 2.777 6.947 ( 1.081 -0.718 2.099) 2.468 7.262 ( -1.008 5.205 2.203) 5.741 7.287 ( 0.583 5.206 -2.148) 5.662 7.486 ( -0.961 -0.019 1.032) 1.411 7.521 ( 1.015 -0.005 -1.100) 1.497 7.729 ( -0.176 -1.123 -0.830) 1.408 7.738 ( -0.570 -0.998 0.528) 1.265 7.878 ( -2.742 -1.609 4.522) 5.528 8.009 ( 4.500 -1.554 -4.750) 6.725 8.271 ( -1.743 -0.604 -0.472) 1.905 8.329 ( 1.217 -0.327 0.816) 1.501 8.545 ( -3.787 -3.966 1.584) 5.708 8.553 ( -2.168 -3.299 0.025) 3.947 9.013 ( -2.910 -2.968 1.604) 4.455 9.150 ( 3.216 -3.218 -1.672) 4.847 9.221 ( -1.470 -4.652 2.402) 5.438 9.314 ( 2.737 -6.331 0.882) 6.954 12.275 ( -0.098 -1.394 0.008) 1.398 12.291 ( 0.655 -0.816 -0.281) 1.083 12.350 ( -0.922 -1.852 0.681) 2.178 12.375 ( 0.368 -1.699 -0.510) 1.812 15.524 ( -1.257 6.771 0.741) 6.927 15.546 ( -0.152 6.976 -1.220) 7.083 15.711 ( -2.639 4.243 0.610) 5.033 15.793 ( 1.962 3.701 -0.750) 4.256 16.031 ( 0.070 -0.638 -2.285) 2.374 16.086 ( 1.863 -0.757 2.323) 3.072 16.269 ( 0.498 -2.271 1.428) 2.729 16.299 ( 1.567 -2.388 1.479) 3.217 17.863 ( -2.096 -0.370 -1.641) 2.688 18.011 ( 6.258 -1.242 1.197) 6.492 18.572 ( -8.972 -9.876 6.397) 14.797 18.630 ( -5.140 -10.421 -5.722) 12.952 ======================= Grid point 135 (65/90) ======================= q-point: ( 0.29 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 9.696 1.678 -12.102) 15.597 0.825 ( 0.548 1.995 4.361) 4.827 0.986 ( -6.320 14.800 9.867) 18.877 1.133 ( 6.929 10.496 -11.913) 17.323 1.396 ( -13.708 6.235 17.316) 22.948 1.670 ( 3.317 5.712 -6.298) 9.127 1.980 ( -4.767 2.117 9.471) 10.812 2.087 ( 3.803 1.882 -5.259) 6.757 2.175 ( 1.238 -3.413 -1.792) 4.049 2.233 ( 2.308 -2.363 -6.177) 7.004 2.384 ( -3.254 0.346 4.988) 5.965 2.534 ( 2.874 -0.458 -3.209) 4.332 2.642 ( -3.645 1.468 4.675) 6.107 2.727 ( 2.212 0.324 -4.944) 5.426 2.928 ( -0.295 -0.812 1.122) 1.416 2.954 ( -0.023 -1.162 0.476) 1.256 3.838 ( -1.572 -3.496 1.059) 3.977 3.869 ( 1.124 -2.663 -3.536) 4.567 3.992 ( 0.121 -0.390 -0.397) 0.570 4.055 ( 2.065 -0.423 -3.376) 3.980 4.216 ( -2.197 -1.454 2.234) 3.455 4.291 ( -1.087 -0.743 1.566) 2.046 4.379 ( 0.110 2.168 -0.741) 2.294 4.437 ( 1.539 1.139 -3.363) 3.870 4.665 ( -1.307 0.926 1.633) 2.287 4.703 ( -1.395 0.085 -0.455) 1.470 4.752 ( -2.548 3.265 4.577) 6.173 4.761 ( -0.552 3.769 0.224) 3.815 5.117 ( -1.952 10.660 3.901) 11.518 5.182 ( 1.885 9.016 -2.568) 9.562 5.411 ( -1.501 7.538 1.710) 7.874 5.454 ( -1.247 5.650 1.195) 5.909 5.752 ( 2.730 -2.920 -2.664) 4.804 5.795 ( 0.312 -1.950 0.874) 2.160 5.928 ( 3.318 4.103 -3.573) 6.372 5.958 ( -1.747 3.053 4.700) 5.871 6.306 ( -1.512 2.363 1.635) 3.247 6.384 ( -1.171 0.456 0.111) 1.262 6.848 ( -0.512 -0.785 -0.239) 0.967 6.970 ( -0.209 -0.746 0.670) 1.024 7.263 ( -0.838 5.040 1.220) 5.252 7.280 ( 0.186 5.337 -0.673) 5.383 7.482 ( -0.783 -0.047 1.052) 1.313 7.524 ( 0.744 -0.267 -1.344) 1.559 7.717 ( 0.765 -0.203 -1.986) 2.138 7.725 ( -2.129 -0.950 1.469) 2.755 7.891 ( -1.793 -2.160 4.810) 5.570 8.031 ( 3.658 -1.761 -4.783) 6.274 8.246 ( -0.554 -0.518 0.055) 0.760 8.345 ( 0.260 -0.378 -0.572) 0.733 8.495 ( -4.017 -2.549 2.744) 5.492 8.518 ( -1.257 -2.748 -0.403) 3.048 9.004 ( -0.759 -3.270 2.133) 3.977 9.163 ( 1.575 -3.319 -3.372) 4.987 9.233 ( -0.251 -4.383 2.529) 5.067 9.360 ( 0.674 -6.637 1.043) 6.752 12.276 ( 0.196 -1.711 0.021) 1.722 12.296 ( 0.184 -1.104 -0.186) 1.135 12.344 ( -0.439 -1.532 0.555) 1.687 12.372 ( -0.009 -1.404 -0.605) 1.529 15.510 ( -1.263 6.541 0.778) 6.707 15.530 ( -0.545 5.525 -0.682) 5.593 15.686 ( -1.552 3.395 1.936) 4.205 15.807 ( 1.068 3.097 -1.747) 3.713 16.028 ( 1.554 -0.306 -1.279) 2.036 16.119 ( 0.088 -0.757 0.448) 0.884 16.311 ( 2.228 -2.368 1.734) 3.685 16.356 ( 0.882 -2.573 4.213) 5.014 17.828 ( -0.488 0.009 -0.545) 0.732 18.144 ( 8.031 -2.410 0.068) 8.385 18.413 ( -8.854 -8.030 -10.636) 16.000 18.466 ( -10.630 -6.655 6.236) 14.006 ======================= Grid point 136 (66/90) ======================= q-point: ( 0.43 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 5.660 3.256 -2.735) 7.080 0.820 ( -0.620 4.160 -2.865) 5.089 0.963 ( -7.709 11.269 9.389) 16.570 1.139 ( 7.990 9.928 -11.428) 17.117 1.358 ( -12.654 8.868 18.792) 24.329 1.655 ( 3.689 5.597 -7.937) 10.389 1.986 ( -5.664 2.233 8.618) 10.551 2.106 ( 3.929 1.441 -3.624) 5.536 2.174 ( 2.034 -3.500 -3.863) 5.595 2.206 ( 1.734 -2.094 -5.002) 5.693 2.393 ( -2.954 0.184 6.839) 7.452 2.539 ( 2.380 -0.077 -4.534) 5.121 2.630 ( -3.489 1.190 4.819) 6.067 2.719 ( 2.603 0.049 -4.474) 5.177 2.939 ( -0.206 -0.731 1.324) 1.526 2.956 ( -0.082 -1.280 0.077) 1.285 3.825 ( -1.262 -2.613 1.099) 3.103 3.860 ( 2.480 -2.670 -3.877) 5.320 3.994 ( 0.307 -1.077 0.016) 1.120 4.047 ( 1.433 -0.678 -3.659) 3.988 4.213 ( -1.480 -1.396 3.227) 3.815 4.288 ( -0.520 -0.970 0.385) 1.166 4.373 ( 0.117 2.418 -0.553) 2.483 4.423 ( 1.198 1.057 -3.583) 3.923 4.662 ( -0.839 0.893 1.481) 1.922 4.681 ( -0.939 0.384 0.180) 1.030 4.738 ( -5.212 4.180 5.985) 8.970 4.777 ( 3.008 3.013 -1.671) 4.573 5.124 ( -2.160 10.636 4.027) 11.576 5.187 ( 1.821 9.338 -2.614) 9.867 5.411 ( -0.817 7.618 2.000) 7.918 5.445 ( -0.729 6.358 0.377) 6.411 5.779 ( 1.996 -3.285 -1.127) 4.006 5.791 ( -0.247 -2.214 -0.664) 2.325 5.951 ( -3.497 3.112 3.055) 5.590 5.965 ( 4.746 3.278 -3.306) 6.649 6.307 ( -0.447 2.293 1.858) 2.985 6.355 ( -2.081 1.020 0.211) 2.328 6.866 ( 1.453 -0.795 1.773) 2.426 6.952 ( -1.603 -0.704 -0.949) 1.992 7.259 ( -1.583 5.351 1.752) 5.849 7.280 ( 1.296 4.994 -1.423) 5.352 7.482 ( -0.603 -0.194 1.285) 1.433 7.519 ( 0.482 -0.429 -1.539) 1.669 7.702 ( -2.036 -0.346 1.262) 2.421 7.716 ( 1.531 0.122 -1.942) 2.476 7.911 ( -2.042 -2.270 4.921) 5.792 8.031 ( 2.658 -1.969 -5.453) 6.378 8.255 ( 0.561 -0.563 1.269) 1.498 8.326 ( -0.650 -0.328 -2.008) 2.136 8.472 ( -2.637 -2.085 3.614) 4.935 8.507 ( 0.282 -2.290 -0.322) 2.329 9.025 ( -0.065 -3.311 2.873) 4.384 9.138 ( 0.526 -3.284 -4.490) 5.588 9.265 ( 0.409 -4.792 3.283) 5.823 9.355 ( -1.125 -5.875 -0.691) 6.021 12.282 ( 0.385 -1.887 0.083) 1.927 12.293 ( -0.309 -1.663 -0.157) 1.699 12.346 ( -0.050 -1.036 0.512) 1.157 12.364 ( -0.097 -1.176 -0.642) 1.343 15.499 ( -0.676 5.765 0.600) 5.835 15.515 ( -0.083 5.692 -0.793) 5.748 15.699 ( -0.328 2.619 3.183) 4.135 15.794 ( 0.270 2.508 -2.801) 3.770 16.053 ( 2.108 -0.235 -0.105) 2.123 16.103 ( -1.431 -0.459 -0.764) 1.686 16.378 ( 2.740 -2.887 2.110) 4.505 16.397 ( -1.163 -2.721 3.518) 4.597 17.839 ( 0.750 -0.113 2.526) 2.638 18.145 ( -6.774 -3.986 -11.971) 14.321 18.286 ( 9.218 -3.647 -1.652) 10.050 18.347 ( -10.146 -4.805 5.405) 12.459 ======================= Grid point 137 (67/90) ======================= q-point: (-0.43 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( -11.254 3.508 2.411) 12.032 0.843 ( -1.162 11.380 3.224) 11.885 0.958 ( 1.640 3.427 1.480) 4.078 1.162 ( 8.166 10.741 -10.702) 17.222 1.353 ( -12.251 11.506 20.609) 26.594 1.635 ( 3.806 4.729 -7.698) 9.804 1.969 ( -6.023 2.589 7.617) 10.050 2.140 ( 2.515 0.449 -1.037) 2.757 2.166 ( 3.398 -2.781 -6.331) 7.704 2.189 ( 1.656 -2.584 -3.680) 4.792 2.419 ( -3.046 -0.404 7.178) 7.808 2.526 ( 2.764 0.640 -5.808) 6.464 2.626 ( -2.994 1.006 4.885) 5.817 2.721 ( 2.959 0.024 -4.153) 5.100 2.941 ( -1.016 -1.272 1.021) 1.922 2.959 ( 0.501 -0.694 -0.159) 0.871 3.820 ( -0.401 -2.717 0.659) 2.825 3.872 ( 3.640 -2.624 -4.006) 6.015 3.999 ( -0.248 -1.917 0.632) 2.034 4.032 ( 1.266 -0.079 -3.317) 3.551 4.232 ( -1.033 -1.616 4.080) 4.509 4.278 ( 0.354 -0.816 -1.935) 2.130 4.375 ( -0.047 2.083 0.781) 2.225 4.406 ( 1.010 1.039 -3.066) 3.391 4.668 ( -0.763 1.540 2.069) 2.690 4.673 ( -0.300 -0.245 0.248) 0.460 4.710 ( -3.984 4.704 4.218) 7.469 4.824 ( 4.371 2.495 -1.745) 5.327 5.125 ( -2.622 10.139 3.853) 11.159 5.189 ( 1.616 9.727 -2.662) 10.213 5.423 ( -0.343 6.718 2.057) 7.034 5.440 ( 0.397 7.864 -0.416) 7.885 5.750 ( -2.879 -3.092 0.525) 4.258 5.819 ( 3.052 -2.448 -2.062) 4.423 5.910 ( -3.935 2.116 2.411) 5.076 6.016 ( 4.989 4.098 -3.775) 7.479 6.322 ( -1.012 1.183 1.447) 2.125 6.335 ( 0.273 2.066 1.185) 2.398 6.902 ( -2.181 -0.759 -1.669) 2.849 6.922 ( 1.979 -0.770 2.073) 2.967 7.248 ( -1.547 4.824 1.548) 5.297 7.296 ( 2.323 5.821 -1.644) 6.479 7.488 ( -0.561 -0.363 1.553) 1.691 7.510 ( 0.477 -0.336 -1.513) 1.622 7.686 ( -1.240 0.041 1.164) 1.702 7.729 ( 2.063 -0.116 -1.585) 2.604 7.926 ( -2.409 -2.110 5.196) 6.104 8.015 ( 2.487 -2.205 -5.703) 6.601 8.284 ( 0.564 -0.605 1.811) 1.991 8.290 ( -0.714 -0.191 -1.886) 2.026 8.474 ( -1.649 -2.194 3.456) 4.413 8.513 ( 0.943 -2.108 -0.730) 2.422 9.058 ( -0.251 -3.219 3.595) 4.832 9.094 ( 0.141 -3.200 -4.346) 5.399 9.310 ( -0.406 -5.874 2.138) 6.264 9.321 ( -0.258 -5.150 -0.358) 5.169 12.284 ( -0.364 -1.792 -0.070) 1.830 12.291 ( 0.407 -1.826 -0.013) 1.871 12.349 ( -0.352 -1.023 0.499) 1.191 12.359 ( 0.380 -1.115 -0.475) 1.270 15.502 ( 0.297 5.345 0.555) 5.382 15.515 ( 1.200 6.707 -0.967) 6.881 15.732 ( -0.281 2.275 3.142) 3.890 15.764 ( 0.282 2.537 -3.015) 3.951 16.060 ( -2.339 -0.218 -0.741) 2.463 16.092 ( 1.901 -0.398 0.346) 1.973 16.378 ( -3.312 -2.877 1.646) 4.685 16.448 ( 3.255 -3.521 -0.546) 4.826 17.922 ( 2.121 -1.495 8.866) 9.238 17.950 ( -2.827 -1.073 -7.854) 8.416 18.231 ( -8.883 -3.631 4.038) 10.412 18.428 ( 9.839 -4.862 -3.073) 11.397 ======================= Grid point 138 (68/90) ======================= q-point: (-0.29 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( -13.327 3.701 5.293) 14.810 0.841 ( -6.656 12.433 11.285) 18.062 1.002 ( 4.480 2.053 -6.156) 7.886 1.188 ( 7.452 12.032 -10.375) 17.549 1.371 ( -11.990 11.971 22.274) 27.986 1.634 ( 4.282 3.760 -5.430) 7.872 1.947 ( -5.576 3.022 7.309) 9.677 2.154 ( 1.381 -4.453 -2.887) 5.484 2.166 ( 2.863 1.930 -3.929) 5.231 2.187 ( 2.696 -2.959 -3.677) 5.436 2.430 ( -3.336 -1.116 5.318) 6.377 2.516 ( 2.893 1.139 -5.369) 6.205 2.630 ( -2.370 1.112 4.737) 5.412 2.732 ( 3.181 0.383 -3.979) 5.109 2.932 ( -0.848 -1.609 0.632) 1.926 2.963 ( 0.111 -0.297 -0.267) 0.415 3.824 ( 0.226 -3.635 0.531) 3.681 3.896 ( 3.949 -2.974 -4.137) 6.446 3.997 ( -0.337 -1.860 0.341) 1.920 4.025 ( 1.122 0.720 -1.879) 2.303 4.256 ( -1.063 -1.635 3.560) 4.059 4.266 ( 0.956 -0.547 -2.003) 2.286 4.385 ( -0.351 1.968 1.430) 2.458 4.398 ( 1.388 0.359 -2.100) 2.543 4.668 ( -1.769 2.191 2.683) 3.890 4.683 ( 0.249 -0.026 1.149) 1.176 4.697 ( -1.342 4.084 2.218) 4.837 4.879 ( 4.861 1.233 -3.816) 6.301 5.116 ( -2.813 9.629 3.574) 10.649 5.186 ( 1.297 9.799 -2.592) 10.219 5.433 ( 0.154 6.861 0.241) 6.867 5.458 ( 1.467 7.403 0.234) 7.551 5.710 ( -2.508 -3.076 1.094) 4.117 5.838 ( 1.729 -0.944 -1.952) 2.773 5.877 ( -2.132 1.025 1.252) 2.677 6.045 ( 3.147 4.698 -4.477) 7.213 6.326 ( 0.777 0.978 0.245) 1.273 6.361 ( -0.178 1.288 2.206) 2.561 6.855 ( -1.228 -0.907 -0.809) 1.728 6.967 ( 1.023 -0.841 0.985) 1.650 7.241 ( -1.106 4.301 1.540) 4.700 7.320 ( 2.852 7.087 -2.691) 8.099 7.494 ( -0.695 -0.406 1.547) 1.744 7.505 ( 0.649 -0.081 -1.206) 1.372 7.685 ( -0.397 -0.056 1.242) 1.305 7.751 ( 2.068 -0.945 -1.156) 2.551 7.935 ( -3.038 -2.012 5.037) 6.216 7.997 ( 2.603 -2.395 -5.847) 6.834 8.259 ( -0.287 -0.032 -1.271) 1.303 8.318 ( 0.327 -0.587 2.155) 2.257 8.490 ( -0.166 -2.843 2.910) 4.072 8.527 ( 1.482 -2.152 -0.536) 2.668 9.056 ( 0.566 -3.245 -3.207) 4.598 9.092 ( -0.725 -2.905 3.619) 4.698 9.278 ( -0.672 -4.763 -1.804) 5.138 9.353 ( -0.404 -8.052 2.122) 8.337 12.278 ( -0.105 -1.639 -0.172) 1.652 12.295 ( 0.049 -1.327 -0.067) 1.330 12.348 ( -0.127 -1.509 0.367) 1.558 12.363 ( 0.275 -1.247 -0.041) 1.277 15.519 ( 0.910 4.858 0.445) 4.963 15.535 ( 2.770 8.717 -1.919) 9.345 15.727 ( 0.087 2.432 -1.734) 2.988 15.769 ( 0.099 3.447 1.660) 3.827 16.014 ( -2.160 -0.170 0.064) 2.168 16.121 ( 1.000 -0.837 0.063) 1.306 16.329 ( -2.860 -2.694 -0.111) 3.931 16.454 ( 0.184 -3.907 -5.083) 6.414 17.859 ( -0.299 0.075 -3.654) 3.667 18.124 ( -7.259 -2.684 2.112) 8.022 18.141 ( 6.576 -6.392 17.113) 19.415 18.559 ( 9.239 -6.235 -3.634) 11.724 ======================= Grid point 139 (69/90) ======================= q-point: (-0.14 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.378 ( -7.244 3.419 14.036) 16.161 0.859 ( -4.106 11.821 8.444) 15.097 0.968 ( 0.567 3.967 -7.213) 8.251 1.194 ( 6.552 12.701 -11.234) 18.178 1.409 ( -11.329 9.871 22.513) 27.067 1.660 ( 3.751 3.124 -3.422) 5.961 1.934 ( -5.110 3.263 7.787) 9.869 2.139 ( 3.277 -0.708 -7.640) 8.343 2.169 ( -0.262 -2.060 0.553) 2.149 2.205 ( 4.053 -2.911 -3.995) 6.392 2.421 ( -3.548 -0.957 4.470) 5.787 2.509 ( 2.702 0.966 -5.119) 5.868 2.643 ( -2.183 1.289 4.865) 5.486 2.744 ( 3.117 0.679 -4.064) 5.167 2.928 ( -0.459 -1.441 0.744) 1.686 2.957 ( -0.334 -0.305 -0.476) 0.657 3.839 ( 0.412 -4.363 1.002) 4.496 3.913 ( 2.848 -3.694 -4.122) 6.225 3.999 ( -0.150 -1.148 0.691) 1.348 4.028 ( 1.510 1.559 -1.900) 2.885 4.267 ( -1.597 -2.075 2.536) 3.645 4.270 ( 1.144 -0.182 -0.602) 1.306 4.390 ( -0.707 2.245 1.352) 2.714 4.409 ( 1.929 -0.474 -1.549) 2.519 4.669 ( -2.096 3.741 3.870) 5.777 4.701 ( 0.707 0.566 0.676) 1.130 4.707 ( -0.412 1.813 2.039) 2.760 4.895 ( 3.093 0.359 -6.533) 7.237 5.109 ( -2.559 9.246 3.907) 10.359 5.180 ( 1.385 9.387 -2.748) 9.879 5.440 ( 0.295 6.583 0.319) 6.597 5.477 ( 0.804 6.872 -1.002) 6.991 5.692 ( -1.247 -2.960 1.893) 3.728 5.829 ( 1.037 -2.520 -4.891) 5.599 5.869 ( -0.789 3.431 2.215) 4.159 6.026 ( 0.955 5.024 -5.582) 7.571 6.348 ( 1.241 0.831 -0.006) 1.494 6.366 ( -1.349 0.897 1.317) 2.088 6.852 ( 0.590 -0.843 1.368) 1.712 6.973 ( -0.479 -0.881 -0.650) 1.195 7.243 ( -0.765 4.246 1.811) 4.679 7.327 ( 1.968 7.275 -4.065) 8.563 7.496 ( -0.928 -0.266 1.418) 1.715 7.507 ( 0.890 0.094 -1.007) 1.347 7.698 ( 0.228 -0.501 1.410) 1.513 7.766 ( 0.900 -1.676 -1.346) 2.330 7.923 ( -4.013 -1.766 4.269) 6.120 7.982 ( 3.177 -2.032 -6.024) 7.108 8.260 ( 0.975 -0.006 0.316) 1.024 8.330 ( -1.001 -0.717 0.961) 1.563 8.536 ( 1.809 -4.390 2.223) 5.243 8.553 ( 1.562 -2.761 0.427) 3.201 9.051 ( 2.464 -3.119 -2.270) 4.578 9.105 ( -1.986 -2.724 2.803) 4.384 9.259 ( 0.575 -4.765 -1.426) 5.007 9.323 ( -4.613 -8.954 0.266) 10.076 12.277 ( 0.140 -1.336 -0.158) 1.353 12.291 ( -0.245 -0.949 -0.310) 1.028 12.353 ( 0.039 -1.868 0.642) 1.975 12.366 ( 0.074 -1.512 0.031) 1.514 15.535 ( 0.332 4.917 0.203) 4.933 15.560 ( 3.098 10.106 -3.528) 11.144 15.726 ( 1.405 3.282 -0.734) 3.645 15.777 ( -0.705 4.453 0.668) 4.558 15.996 ( -0.630 -0.399 1.359) 1.550 16.121 ( -0.517 -1.199 -1.296) 1.839 16.288 ( -1.298 -2.588 -0.533) 2.943 16.355 ( -4.219 -2.739 -4.546) 6.779 17.852 ( 1.923 0.238 -0.587) 2.025 18.023 ( -5.627 -1.829 0.024) 5.917 18.455 ( 7.290 -14.356 13.918) 21.282 18.663 ( 6.767 -7.909 -3.433) 10.960 ======================= Grid point 140 (70/90) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 1.439 11.691 11.033) 16.139 0.896 ( 1.514 6.916 -14.323) 15.977 1.220 ( -3.378 11.892 10.893) 16.477 1.407 ( 2.968 9.409 -8.420) 12.971 1.591 ( -8.060 5.123 12.192) 15.487 1.764 ( 3.199 3.260 -4.047) 6.102 1.949 ( -5.100 -1.249 8.744) 10.200 2.084 ( 2.249 -2.039 -2.798) 4.129 2.155 ( -1.540 0.942 0.194) 1.816 2.207 ( 3.848 0.389 -3.928) 5.512 2.405 ( -2.187 0.390 3.091) 3.806 2.500 ( 3.153 -0.916 -5.281) 6.218 2.683 ( -2.031 1.308 3.939) 4.621 2.757 ( 1.991 -0.147 -3.305) 3.862 2.903 ( 0.065 -1.835 1.037) 2.109 2.919 ( -0.500 -1.746 -0.912) 2.033 3.775 ( 0.122 -2.642 1.324) 2.958 3.826 ( 1.778 -3.031 -3.995) 5.320 3.996 ( -1.499 -0.009 2.977) 3.333 4.073 ( 3.044 0.655 -4.710) 5.646 4.228 ( -3.439 -0.805 4.659) 5.846 4.263 ( -0.938 -1.559 1.955) 2.670 4.398 ( 2.454 -2.258 -1.740) 3.761 4.419 ( 1.564 0.068 -3.159) 3.526 4.702 ( -0.153 0.618 2.188) 2.279 4.737 ( 0.043 2.618 -1.632) 3.085 4.846 ( -1.338 7.639 2.675) 8.204 4.905 ( 0.231 4.004 -2.767) 4.872 5.339 ( -2.277 11.910 4.484) 12.928 5.399 ( 0.400 12.729 -1.518) 12.826 5.573 ( -1.248 5.608 2.611) 6.311 5.610 ( -0.342 6.792 -0.620) 6.829 5.706 ( 0.726 2.963 1.910) 3.599 5.786 ( 1.343 2.656 -5.785) 6.506 5.938 ( -0.923 1.582 4.151) 4.538 6.045 ( 0.826 1.918 -6.567) 6.891 6.405 ( -0.962 4.764 0.897) 4.942 6.420 ( 1.055 4.508 -0.556) 4.663 6.870 ( 1.302 -1.989 2.612) 3.532 6.913 ( -1.417 -2.055 -1.844) 3.104 7.359 ( -0.494 5.318 2.708) 5.988 7.420 ( 0.328 4.058 -3.454) 5.339 7.485 ( -1.174 -0.620 1.517) 2.017 7.515 ( 1.242 0.095 -1.514) 1.960 7.699 ( -0.924 -0.522 1.919) 2.192 7.738 ( 0.871 0.221 -1.955) 2.152 7.855 ( -3.341 -2.356 3.514) 5.391 7.944 ( 4.249 -2.534 -5.531) 7.421 8.285 ( -0.512 -0.338 1.066) 1.230 8.296 ( -0.062 -0.579 0.087) 0.589 8.468 ( -1.171 -4.780 2.457) 5.501 8.495 ( 0.169 -4.140 -0.595) 4.186 8.998 ( -4.087 -4.235 0.895) 5.953 9.014 ( 3.585 -4.647 -0.753) 5.917 9.105 ( -2.007 -7.080 2.357) 7.728 9.142 ( 1.441 -7.152 -1.439) 7.436 12.251 ( -0.181 -1.448 0.309) 1.492 12.261 ( 0.323 -1.370 -0.588) 1.525 12.311 ( -0.752 -2.549 0.857) 2.792 12.324 ( 0.616 -2.608 -0.471) 2.721 15.666 ( -0.373 6.702 1.713) 6.928 15.713 ( 0.403 5.930 -2.960) 6.640 15.848 ( 2.065 4.831 0.348) 5.265 15.872 ( -1.015 5.406 -2.136) 5.901 16.013 ( 1.556 -0.415 1.759) 2.385 16.051 ( -1.374 -1.113 -2.067) 2.721 16.209 ( -0.961 -3.389 0.729) 3.597 16.225 ( -0.645 -2.707 -0.876) 2.918 17.910 ( 3.185 0.670 0.033) 3.254 17.912 ( -3.071 -0.571 -0.254) 3.134 18.325 ( -2.053 -13.162 10.249) 16.808 18.474 ( 1.737 -12.689 -5.641) 13.995 ======================= Grid point 141 (71/90) ======================= q-point: ( 0.14 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 1.792 8.631 -4.899) 10.085 0.818 ( 4.262 7.852 0.230) 8.937 1.262 ( -4.255 11.797 8.840) 15.344 1.364 ( 2.436 8.918 -7.801) 12.096 1.567 ( -8.785 5.077 11.066) 15.013 1.771 ( 2.671 2.943 -4.126) 5.729 1.959 ( -4.170 -2.271 8.029) 9.328 2.102 ( 3.201 -1.237 -2.846) 4.458 2.131 ( -1.378 1.462 0.321) 2.035 2.228 ( 3.058 0.386 -3.783) 4.880 2.395 ( -2.209 0.325 2.249) 3.169 2.502 ( 2.906 -1.147 -4.175) 5.215 2.685 ( -2.433 1.432 3.639) 4.606 2.750 ( 1.617 0.116 -3.717) 4.055 2.903 ( -0.313 -1.701 -0.381) 1.771 2.915 ( -0.135 -1.956 1.170) 2.283 3.779 ( -0.413 -2.356 -0.089) 2.393 3.820 ( 1.792 -2.774 -3.093) 4.524 3.994 ( -1.913 0.363 2.343) 3.046 4.069 ( 2.565 -0.092 -5.039) 5.656 4.214 ( -3.512 -0.871 4.034) 5.419 4.267 ( -1.476 -1.290 2.676) 3.317 4.415 ( 2.090 0.233 -3.554) 4.130 4.417 ( 2.211 -2.477 -2.608) 4.222 4.715 ( -0.350 1.982 0.211) 2.023 4.722 ( -0.217 1.427 -0.033) 1.444 4.849 ( -2.215 6.644 3.551) 7.853 4.880 ( -0.301 5.808 -1.568) 6.023 5.349 ( -2.220 11.799 4.690) 12.890 5.393 ( 1.077 12.463 -1.773) 12.635 5.571 ( -1.478 6.416 1.813) 6.829 5.610 ( -0.163 8.152 0.899) 8.203 5.727 ( 0.751 2.721 -1.092) 3.026 5.769 ( 2.216 1.724 -2.354) 3.664 5.971 ( -1.231 1.639 4.626) 5.060 6.002 ( 1.420 1.933 -4.244) 4.875 6.391 ( -1.305 5.103 0.564) 5.298 6.430 ( 0.575 4.137 -0.551) 4.213 6.862 ( -1.770 -1.692 -1.875) 3.084 6.917 ( 0.870 -2.419 2.037) 3.280 7.370 ( -0.922 4.778 1.074) 4.983 7.400 ( 0.349 5.382 -0.586) 5.425 7.480 ( -1.130 -0.717 1.273) 1.847 7.518 ( 0.948 -0.278 -1.542) 1.831 7.702 ( -0.920 -0.889 1.699) 2.127 7.732 ( 0.519 0.581 -1.431) 1.629 7.842 ( -2.333 -1.940 3.507) 4.637 7.964 ( 4.339 -2.977 -5.056) 7.298 8.259 ( -1.985 -0.433 0.484) 2.089 8.322 ( 1.350 -0.427 0.291) 1.445 8.458 ( -2.855 -4.404 2.558) 5.839 8.479 ( -1.030 -3.894 -0.824) 4.111 8.943 ( -2.986 -3.776 1.367) 5.004 9.060 ( 1.921 -5.653 -0.498) 5.991 9.110 ( 0.064 -5.967 1.350) 6.118 9.165 ( 2.557 -8.069 -0.734) 8.496 12.246 ( -0.426 -1.441 0.069) 1.505 12.265 ( 0.373 -1.607 -0.241) 1.668 12.306 ( -0.567 -2.353 0.610) 2.496 12.331 ( 0.553 -2.619 -0.464) 2.717 15.668 ( -1.783 7.066 2.038) 7.567 15.678 ( -0.900 5.889 -2.146) 6.332 15.809 ( -3.214 4.596 -0.803) 5.665 15.881 ( 0.920 4.436 -0.272) 4.538 16.021 ( 0.594 -0.201 -1.795) 1.901 16.069 ( 2.178 -0.785 1.329) 2.670 16.212 ( 0.379 -3.167 1.675) 3.602 16.243 ( 1.801 -2.919 0.986) 3.569 17.861 ( -2.004 0.494 -0.419) 2.106 17.987 ( 5.111 -0.940 0.174) 5.199 18.349 ( -5.921 -11.773 7.799) 15.313 18.398 ( -2.265 -12.002 -7.796) 14.489 ======================= Grid point 142 (72/90) ======================= q-point: ( 0.29 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 7.721 8.100 -8.560) 14.089 0.907 ( 0.266 6.546 4.513) 7.955 1.258 ( -6.205 11.505 7.475) 15.058 1.335 ( 3.558 8.934 -7.177) 11.999 1.533 ( -7.996 5.367 10.629) 14.343 1.768 ( 2.240 2.628 -4.510) 5.680 1.971 ( -3.987 -3.291 7.238) 8.895 2.111 ( -0.833 -0.184 0.431) 0.956 2.136 ( 4.039 1.607 -3.647) 5.674 2.228 ( 1.327 1.067 -3.315) 3.727 2.380 ( -2.203 -0.223 2.503) 3.342 2.510 ( 2.628 -2.017 -3.450) 4.783 2.676 ( -2.673 1.723 3.148) 4.475 2.736 ( 1.534 0.421 -3.946) 4.255 2.903 ( 0.454 -1.616 0.031) 1.679 2.922 ( -0.609 -2.000 1.304) 2.464 3.771 ( 0.440 -2.108 -1.008) 2.378 3.814 ( 0.759 -2.321 -2.339) 3.382 3.984 ( -1.661 0.167 1.627) 2.331 4.057 ( 2.473 -0.641 -5.220) 5.811 4.197 ( -2.995 -0.926 3.823) 4.944 4.268 ( -1.909 -0.905 3.035) 3.698 4.414 ( 2.279 0.373 -3.862) 4.500 4.418 ( 1.567 -2.334 -3.097) 4.183 4.708 ( 0.874 2.888 -1.636) 3.432 4.718 ( -1.511 1.936 1.422) 2.838 4.846 ( -2.180 5.985 3.300) 7.174 4.866 ( -0.550 6.276 0.292) 6.307 5.359 ( -2.485 11.714 4.671) 12.854 5.399 ( 1.685 12.382 -1.774) 12.622 5.570 ( -0.598 7.011 1.604) 7.217 5.611 ( -1.115 9.332 1.424) 9.506 5.732 ( 2.966 2.136 -3.412) 5.000 5.784 ( 0.139 1.140 0.208) 1.168 5.979 ( 1.741 1.658 -1.907) 3.068 6.012 ( -1.077 1.545 2.940) 3.491 6.376 ( -1.119 4.949 0.753) 5.130 6.426 ( -0.427 4.152 -0.433) 4.197 6.827 ( -0.454 -1.555 -0.412) 1.672 6.938 ( -0.258 -2.646 0.714) 2.753 7.364 ( 0.125 4.563 -0.305) 4.574 7.402 ( -1.060 5.743 1.308) 5.984 7.474 ( -0.936 -0.781 1.105) 1.646 7.515 ( 0.608 -0.574 -1.626) 1.828 7.703 ( -1.045 -0.458 1.602) 1.967 7.727 ( 0.569 1.060 -1.259) 1.741 7.848 ( -1.578 -2.067 3.736) 4.552 7.980 ( 3.648 -3.336 -5.176) 7.158 8.239 ( -0.982 0.002 1.014) 1.412 8.337 ( 0.460 -0.444 -0.794) 1.019 8.433 ( -3.203 -3.521 3.112) 5.687 8.453 ( -0.497 -3.473 -0.760) 3.590 8.928 ( -1.039 -3.940 2.145) 4.605 9.070 ( 0.768 -5.958 -1.750) 6.257 9.125 ( 0.264 -5.932 0.959) 6.015 9.202 ( 1.733 -8.621 -0.318) 8.800 12.241 ( -0.122 -1.630 0.049) 1.636 12.263 ( -0.428 -2.019 -0.100) 2.066 12.308 ( 0.169 -1.954 0.414) 2.005 12.332 ( 0.231 -2.465 -0.491) 2.524 15.641 ( -1.315 5.856 -0.474) 6.021 15.655 ( -1.702 6.590 0.981) 6.877 15.760 ( -2.214 3.489 0.981) 4.247 15.877 ( -0.051 3.257 -1.764) 3.704 16.028 ( 1.702 0.562 -0.921) 2.015 16.102 ( 0.685 -0.677 0.148) 0.974 16.253 ( 1.952 -3.166 1.740) 4.106 16.294 ( 1.103 -3.288 3.079) 4.638 17.836 ( -0.774 1.055 0.302) 1.343 18.086 ( 6.471 -3.101 -0.618) 7.202 18.240 ( -4.340 -8.481 -9.950) 13.776 18.301 ( -7.764 -9.398 6.233) 13.691 ======================= Grid point 143 (73/90) ======================= q-point: ( 0.43 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 4.846 7.380 -0.692) 8.856 0.914 ( 0.754 6.141 -2.355) 6.620 1.207 ( -9.375 11.695 8.802) 17.382 1.339 ( 6.358 9.350 -8.183) 13.958 1.527 ( -6.349 5.429 11.675) 14.355 1.752 ( 2.048 2.768 -5.426) 6.426 1.973 ( -4.491 -3.424 6.977) 8.976 2.103 ( -0.413 -0.626 0.113) 0.759 2.165 ( 4.237 2.099 -4.621) 6.611 2.207 ( 0.292 1.743 -2.952) 3.441 2.379 ( -2.516 -1.266 4.975) 5.717 2.516 ( 2.897 -2.453 -4.658) 6.009 2.663 ( -2.552 1.904 3.034) 4.398 2.724 ( 1.868 0.469 -3.634) 4.113 2.915 ( -0.249 -1.636 0.998) 1.932 2.923 ( 0.158 -1.806 0.262) 1.832 3.774 ( 0.351 -1.683 -0.233) 1.735 3.801 ( 1.367 -2.494 -2.959) 4.104 3.974 ( -1.414 -0.442 1.597) 2.179 4.045 ( 2.614 -0.634 -5.305) 5.948 4.195 ( -2.321 -0.799 4.511) 5.135 4.265 ( -1.764 -0.892 2.324) 3.051 4.400 ( 0.747 -1.670 -3.240) 3.720 4.420 ( 2.377 0.137 -3.461) 4.201 4.701 ( -2.018 2.558 1.422) 3.555 4.713 ( 1.685 3.416 -1.610) 4.135 4.845 ( -2.257 6.178 3.405) 7.407 4.866 ( 0.547 5.676 0.077) 5.703 5.361 ( -2.865 11.674 4.481) 12.829 5.411 ( 1.781 12.523 -1.698) 12.762 5.583 ( -0.158 7.400 1.775) 7.611 5.605 ( -0.926 9.272 0.892) 9.361 5.753 ( 1.116 1.858 -0.979) 2.378 5.775 ( 0.935 1.144 -2.207) 2.656 5.989 ( -3.026 1.413 3.189) 4.618 6.020 ( 3.758 1.444 -3.189) 5.136 6.372 ( -0.684 4.664 1.511) 4.951 6.409 ( -0.748 4.588 -0.579) 4.685 6.843 ( 1.455 -1.732 1.524) 2.728 6.922 ( -1.530 -2.532 -0.801) 3.065 7.369 ( -0.348 4.770 0.970) 4.880 7.392 ( -0.293 5.344 -0.259) 5.358 7.472 ( -0.757 -0.837 1.249) 1.683 7.507 ( 0.568 -0.623 -1.673) 1.874 7.700 ( -1.369 0.404 1.737) 2.248 7.728 ( 1.312 1.327 -1.608) 2.463 7.862 ( -1.651 -2.381 4.112) 5.030 7.978 ( 2.856 -3.208 -5.697) 7.134 8.247 ( -0.019 -0.015 1.959) 1.959 8.320 ( -0.458 -0.213 -1.988) 2.052 8.419 ( -2.415 -3.122 3.410) 5.216 8.450 ( 0.652 -3.309 -0.466) 3.405 8.946 ( -0.185 -4.200 2.962) 5.143 9.051 ( 0.281 -5.350 -3.521) 6.411 9.145 ( 0.006 -6.860 2.263) 7.223 9.210 ( 0.182 -8.263 -1.207) 8.353 12.243 ( 0.181 -1.858 0.113) 1.871 12.253 ( -0.505 -2.085 -0.092) 2.147 12.316 ( 0.156 -1.924 0.339) 1.960 12.329 ( 0.052 -2.223 -0.498) 2.279 15.624 ( -0.891 6.040 0.694) 6.145 15.639 ( -0.124 6.159 -0.530) 6.183 15.755 ( -0.604 2.619 2.555) 3.708 15.847 ( -0.266 2.294 -2.990) 3.778 16.056 ( 1.838 0.690 0.122) 1.967 16.098 ( -0.811 0.132 -0.672) 1.061 16.308 ( 1.447 -3.778 2.313) 4.660 16.330 ( -0.133 -3.730 1.961) 4.216 17.844 ( 0.151 0.818 2.319) 2.463 18.062 ( -3.486 -3.746 -9.491) 10.783 18.193 ( 6.907 -5.445 -1.565) 8.934 18.224 ( -7.387 -7.179 4.655) 11.304 ======================= Grid point 144 (74/90) ======================= q-point: (-0.43 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( -9.613 8.654 2.447) 13.164 0.986 ( 9.884 5.646 -6.882) 13.302 1.141 ( -9.815 12.100 11.219) 19.199 1.375 ( 7.469 9.750 -7.983) 14.649 1.551 ( -6.172 5.217 12.439) 14.834 1.730 ( 2.770 3.470 -5.948) 7.423 1.966 ( -5.392 -2.308 8.028) 9.942 2.097 ( 0.432 -1.595 -1.399) 2.165 2.169 ( 0.839 1.709 -3.200) 3.724 2.197 ( 2.707 2.001 -3.130) 4.596 2.393 ( -2.929 -1.928 6.097) 7.034 2.513 ( 3.468 -2.291 -6.099) 7.381 2.656 ( -2.028 1.935 3.291) 4.323 2.725 ( 2.419 0.322 -3.232) 4.050 2.907 ( -1.469 -1.887 1.191) 2.671 2.937 ( 1.076 -1.486 -0.517) 1.906 3.769 ( -0.555 -1.690 -0.223) 1.793 3.807 ( 2.780 -2.950 -2.999) 5.043 3.969 ( -1.409 -0.881 2.166) 2.730 4.039 ( 3.001 -0.130 -4.848) 5.703 4.211 ( -2.049 -0.824 5.276) 5.720 4.257 ( -1.090 -0.973 0.871) 1.701 4.379 ( 0.254 -1.789 -1.996) 2.692 4.424 ( 2.327 0.614 -3.341) 4.118 4.683 ( -1.848 2.143 1.564) 3.232 4.729 ( 1.880 4.024 -1.462) 4.676 4.839 ( -1.720 7.513 2.290) 8.040 4.887 ( 1.716 3.793 -0.144) 4.165 5.355 ( -3.109 11.770 4.144) 12.860 5.421 ( 1.229 12.651 -1.587) 12.810 5.587 ( -1.424 8.404 1.389) 8.636 5.612 ( 0.895 7.622 0.405) 7.685 5.720 ( -2.857 0.988 0.221) 3.031 5.804 ( 4.262 2.189 -3.206) 5.765 5.950 ( -4.421 1.795 3.077) 5.678 6.069 ( 5.510 1.072 -4.076) 6.936 6.375 ( -1.261 4.538 1.771) 5.032 6.402 ( 0.767 4.776 -0.323) 4.848 6.874 ( -2.161 -2.182 -1.552) 3.441 6.895 ( 1.923 -2.110 1.878) 3.417 7.356 ( -2.025 5.278 1.414) 5.828 7.408 ( 2.502 4.218 -1.088) 5.023 7.474 ( -0.643 -0.870 1.534) 1.877 7.502 ( 0.915 -0.253 -1.629) 1.885 7.694 ( -1.256 1.002 1.621) 2.282 7.735 ( 1.560 1.128 -1.810) 2.643 7.876 ( -2.082 -2.705 4.504) 5.652 7.963 ( 2.664 -2.850 -5.949) 7.114 8.274 ( 0.046 -0.339 2.275) 2.300 8.289 ( -0.279 0.253 -1.832) 1.870 8.418 ( -1.685 -3.227 3.020) 4.730 8.459 ( 1.091 -3.222 -0.823) 3.499 8.979 ( -0.261 -4.417 3.454) 5.613 9.013 ( 0.204 -4.703 -3.734) 6.009 9.166 ( -1.012 -7.995 2.540) 8.450 9.191 ( -0.111 -7.566 -1.558) 7.725 12.244 ( -0.246 -1.960 -0.010) 1.975 12.251 ( 0.445 -2.002 0.086) 2.053 12.319 ( -0.320 -1.971 0.302) 2.019 12.326 ( 0.186 -2.144 -0.390) 2.187 15.619 ( -0.459 5.988 0.672) 6.043 15.652 ( 2.658 6.177 -1.259) 6.841 15.782 ( -0.315 2.348 2.524) 3.461 15.816 ( 1.056 2.259 -2.579) 3.588 16.062 ( -2.082 0.710 -0.502) 2.257 16.089 ( 1.389 0.355 0.146) 1.441 16.307 ( -3.078 -3.924 1.644) 5.251 16.365 ( 2.166 -4.488 -0.442) 5.003 17.897 ( 0.663 -0.755 6.023) 6.106 17.934 ( -1.072 -0.183 -6.083) 6.180 18.138 ( -7.152 -5.475 3.821) 9.784 18.302 ( 7.907 -7.497 -3.143) 11.341 ======================= Grid point 145 (75/90) ======================= q-point: (-0.29 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( -9.710 11.651 3.316) 15.525 1.041 ( 5.418 6.388 -8.306) 11.796 1.125 ( -6.569 11.217 12.445) 17.997 1.416 ( 6.488 9.824 -7.735) 14.087 1.572 ( -6.400 5.205 12.143) 14.680 1.729 ( 3.621 3.936 -4.817) 7.198 1.958 ( -6.144 -1.001 9.218) 11.123 2.089 ( 0.835 -1.956 -2.127) 3.008 2.155 ( 1.814 1.055 -3.176) 3.806 2.207 ( 1.189 1.361 -1.952) 2.661 2.402 ( -2.448 -1.439 4.519) 5.337 2.509 ( 3.302 -1.986 -5.750) 6.922 2.661 ( -1.600 1.787 3.480) 4.226 2.737 ( 2.779 0.134 -3.036) 4.118 2.896 ( -1.053 -1.894 0.913) 2.352 2.944 ( 0.492 -1.558 -0.852) 1.842 3.757 ( -0.295 -2.236 -0.237) 2.267 3.825 ( 2.655 -3.148 -2.797) 4.978 3.973 ( -1.141 -0.818 2.665) 3.012 4.046 ( 3.341 0.529 -4.123) 5.333 4.230 ( -2.443 -0.925 5.233) 5.849 4.250 ( -0.347 -1.069 0.500) 1.230 4.369 ( 0.485 -1.914 -0.953) 2.193 4.428 ( 2.001 0.691 -3.159) 3.803 4.674 ( -1.114 1.493 1.783) 2.578 4.744 ( 1.437 4.050 -1.332) 4.499 4.837 ( -0.936 8.281 1.616) 8.489 4.914 ( 1.975 2.285 -1.276) 3.279 5.344 ( -3.070 11.913 3.905) 12.907 5.419 ( 0.473 12.781 -1.365) 12.863 5.575 ( -1.301 7.326 1.063) 7.516 5.628 ( 0.478 6.960 0.115) 6.977 5.681 ( -1.576 1.447 0.409) 2.178 5.833 ( 2.910 2.419 -3.644) 5.254 5.918 ( -2.638 2.041 2.776) 4.340 6.107 ( 4.188 1.179 -5.181) 6.766 6.377 ( -0.151 4.524 1.175) 4.677 6.416 ( 0.407 4.468 0.358) 4.500 6.829 ( -1.262 -1.860 -0.594) 2.325 6.937 ( 1.002 -2.379 0.818) 2.708 7.341 ( -1.315 5.188 1.430) 5.539 7.438 ( 2.321 2.966 -1.741) 4.149 7.481 ( -0.558 -0.552 1.654) 1.831 7.504 ( 1.311 0.422 -1.647) 2.147 7.692 ( -0.957 0.985 1.573) 2.088 7.741 ( 1.402 0.536 -1.887) 2.412 7.883 ( -2.683 -2.996 4.457) 6.003 7.947 ( 2.867 -2.566 -5.971) 7.104 8.263 ( 0.065 0.510 -1.347) 1.442 8.305 ( -0.198 -0.571 2.382) 2.457 8.425 ( -0.751 -3.426 2.463) 4.286 8.471 ( 1.416 -3.292 -0.921) 3.700 8.976 ( 0.488 -4.394 -2.616) 5.137 9.016 ( -0.270 -4.429 2.960) 5.334 9.152 ( -1.127 -7.608 -0.453) 7.704 9.183 ( -1.462 -8.444 1.033) 8.631 12.243 ( 0.120 -1.755 -0.077) 1.761 12.260 ( 0.414 -1.956 0.156) 2.005 12.314 ( -0.372 -1.934 0.070) 1.970 12.326 ( -0.020 -2.394 -0.026) 2.394 15.627 ( 0.593 5.686 0.628) 5.751 15.693 ( 3.771 6.265 -2.306) 7.667 15.782 ( 0.661 2.649 -0.874) 2.867 15.846 ( 1.992 3.489 0.943) 4.127 16.018 ( -2.311 0.847 0.009) 2.462 16.105 ( 0.281 -0.505 -0.150) 0.597 16.262 ( -2.904 -3.653 0.335) 4.679 16.365 ( -0.429 -4.663 -3.050) 5.588 17.871 ( 0.271 1.378 -3.115) 3.417 18.025 ( 2.328 -4.713 11.338) 12.498 18.057 ( -5.951 -3.796 2.326) 7.432 18.398 ( 7.323 -9.566 -3.910) 12.666 ======================= Grid point 146 (76/90) ======================= q-point: (-0.14 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( -4.048 13.845 8.087) 16.537 1.005 ( 2.458 6.250 -11.336) 13.176 1.162 ( -4.399 11.662 12.066) 17.348 1.429 ( 4.772 9.780 -8.173) 13.610 1.588 ( -6.926 5.175 12.416) 15.129 1.747 ( 3.671 3.674 -4.058) 6.591 1.950 ( -6.027 -0.697 9.279) 11.086 2.082 ( 1.233 -2.056 -2.397) 3.390 2.164 ( 2.056 0.170 -2.242) 3.047 2.197 ( 0.626 1.268 -2.111) 2.541 2.406 ( -1.995 -0.273 3.418) 3.967 2.504 ( 3.063 -1.417 -5.469) 6.426 2.673 ( -1.646 1.478 3.840) 4.432 2.752 ( 2.517 -0.077 -3.111) 4.003 2.894 ( -0.276 -1.868 0.881) 2.084 2.936 ( -0.151 -1.671 -1.039) 1.973 3.759 ( 0.278 -2.642 0.617) 2.727 3.834 ( 1.975 -3.151 -3.200) 4.907 3.985 ( -1.038 -0.491 3.032) 3.242 4.063 ( 3.473 0.933 -4.162) 5.501 4.234 ( -2.805 -1.018 4.370) 5.292 4.256 ( -0.584 -1.256 1.805) 2.275 4.377 ( 1.524 -2.117 -0.977) 2.786 4.426 ( 1.576 0.409 -3.057) 3.464 4.682 ( -0.337 0.912 2.046) 2.265 4.748 ( 0.671 3.412 -1.370) 3.738 4.840 ( -0.789 8.311 1.781) 8.536 4.922 ( 1.282 2.298 -2.591) 3.693 5.336 ( -2.677 12.012 4.087) 12.967 5.410 ( 0.088 12.845 -1.251) 12.906 5.568 ( -1.031 6.128 1.588) 6.413 5.626 ( -0.705 5.703 -0.106) 5.747 5.679 ( 0.418 3.039 0.871) 3.189 5.823 ( 1.246 2.618 -4.718) 5.538 5.918 ( -0.888 1.738 2.633) 3.278 6.096 ( 1.884 1.584 -6.576) 7.021 6.394 ( 0.693 4.192 0.850) 4.333 6.419 ( -0.300 4.755 0.196) 4.769 6.828 ( 0.560 -1.756 1.537) 2.399 6.943 ( -0.327 -2.345 -0.673) 2.461 7.343 ( -0.630 5.214 1.960) 5.605 7.444 ( 1.153 2.759 -2.924) 4.182 7.487 ( -0.861 -0.393 1.536) 1.804 7.510 ( 1.356 0.559 -1.687) 2.235 7.694 ( -0.798 0.389 1.692) 1.911 7.743 ( 1.063 0.038 -1.935) 2.208 7.875 ( -3.378 -2.901 3.934) 5.942 7.938 ( 3.518 -2.386 -5.937) 7.302 8.264 ( 1.038 0.496 -0.256) 1.179 8.312 ( -1.423 -1.001 1.483) 2.287 8.448 ( 0.106 -4.092 2.481) 4.787 8.487 ( 1.275 -3.698 -0.624) 3.961 8.974 ( 2.254 -4.212 -1.865) 5.128 9.032 ( -1.448 -4.468 2.163) 5.170 9.130 ( -1.807 -7.977 0.696) 8.209 9.151 ( -1.875 -7.638 -0.302) 7.871 12.246 ( 0.340 -1.573 -0.013) 1.609 12.265 ( -0.005 -1.599 -0.119) 1.604 12.311 ( -0.140 -2.249 0.326) 2.277 12.324 ( -0.132 -2.557 -0.029) 2.560 15.648 ( 0.671 6.014 1.030) 6.138 15.720 ( 2.474 5.795 -2.996) 6.977 15.804 ( 2.465 3.872 -0.325) 4.602 15.882 ( 1.666 5.036 -0.724) 5.353 15.992 ( -1.069 0.288 1.070) 1.540 16.093 ( -0.990 -1.388 -1.074) 2.015 16.224 ( -1.595 -3.491 0.039) 3.838 16.291 ( -3.200 -3.334 -3.456) 5.771 17.868 ( 1.889 1.631 -1.099) 2.727 17.981 ( -4.716 -2.171 0.787) 5.251 18.200 ( 1.819 -10.583 12.824) 16.727 18.465 ( 5.281 -11.460 -4.541) 13.411 ======================= Grid point 147 (77/90) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 1.373 14.307 5.507) 15.392 1.061 ( 0.459 8.524 -9.108) 12.482 1.394 ( -2.419 5.249 8.000) 9.869 1.508 ( -2.193 -0.330 -0.894) 2.391 1.619 ( -0.814 0.102 1.642) 1.836 1.719 ( 3.648 -5.368 -5.115) 8.263 1.989 ( -6.361 3.828 8.308) 11.142 2.076 ( 1.240 0.786 -0.003) 1.469 2.156 ( -2.202 -0.681 2.199) 3.185 2.216 ( 2.697 -0.360 -3.074) 4.106 2.426 ( -0.401 1.521 0.765) 1.749 2.475 ( 2.308 -1.355 -3.299) 4.248 2.701 ( -1.048 0.695 2.272) 2.597 2.743 ( 1.150 -1.160 -1.800) 2.431 2.870 ( 0.129 -1.201 0.493) 1.305 2.884 ( -0.162 -1.608 -1.156) 1.987 3.770 ( 0.418 1.737 1.028) 2.061 3.804 ( 1.209 0.348 -2.389) 2.700 3.991 ( -0.738 -0.682 2.355) 2.560 4.043 ( 1.474 -3.089 -2.754) 4.393 4.221 ( -3.862 -0.003 4.884) 6.227 4.248 ( -2.225 -0.192 4.204) 4.761 4.362 ( 3.561 -0.742 -4.257) 5.599 4.402 ( 3.282 -1.419 -5.852) 6.858 4.735 ( -0.718 2.130 2.489) 3.354 4.772 ( -0.417 0.807 -1.146) 1.462 4.967 ( -0.215 4.191 0.032) 4.197 4.982 ( 0.862 3.048 -1.351) 3.444 5.524 ( -1.693 6.043 2.931) 6.927 5.575 ( 0.790 2.728 -2.110) 3.538 5.686 ( -2.984 7.159 5.294) 9.391 5.741 ( 0.801 7.329 -0.170) 7.375 5.782 ( -1.509 3.417 4.715) 6.015 5.896 ( 1.642 7.104 -6.190) 9.564 5.957 ( -0.213 0.225 2.212) 2.233 6.055 ( 1.377 -0.584 -6.467) 6.638 6.522 ( 0.022 6.807 1.024) 6.883 6.542 ( 0.609 7.081 -1.271) 7.220 6.813 ( 0.747 -3.726 2.419) 4.504 6.853 ( -0.967 -4.221 -1.663) 4.639 7.420 ( -0.245 0.278 0.897) 0.971 7.436 ( 0.350 -1.388 -0.567) 1.540 7.491 ( -0.809 1.662 1.627) 2.463 7.525 ( 0.578 0.508 -1.458) 1.649 7.708 ( -2.036 1.351 3.112) 3.956 7.760 ( -0.761 0.771 0.592) 1.235 7.815 ( 0.074 -0.696 -0.817) 1.076 7.891 ( 3.760 -2.752 -5.672) 7.341 8.278 ( -2.091 -0.217 1.517) 2.592 8.290 ( 0.780 -0.238 0.377) 0.898 8.397 ( -0.820 -2.225 1.540) 2.828 8.423 ( 0.476 -2.965 -1.099) 3.198 8.920 ( -2.627 -3.124 0.671) 4.136 8.930 ( 1.743 -3.450 -0.208) 3.870 8.987 ( -0.512 -4.368 1.310) 4.589 9.013 ( 1.034 -5.386 -1.228) 5.620 12.227 ( -0.128 -0.885 0.452) 1.002 12.235 ( 0.080 -1.109 -0.281) 1.147 12.267 ( -0.466 -1.669 0.417) 1.783 12.277 ( 0.497 -1.995 -0.479) 2.111 15.781 ( 0.274 4.745 1.317) 4.932 15.805 ( -0.436 3.581 -0.962) 3.733 15.907 ( 2.183 0.987 0.475) 2.442 15.930 ( -1.261 0.322 -1.704) 2.144 16.011 ( 0.725 0.251 1.336) 1.541 16.035 ( -0.785 -0.807 -1.015) 1.515 16.164 ( -0.379 -0.648 0.273) 0.799 16.184 ( -0.438 -1.255 -1.508) 2.010 17.917 ( -2.701 1.365 1.679) 3.461 17.948 ( 2.631 3.181 -1.355) 4.345 18.114 ( -1.761 -8.285 7.504) 11.315 18.239 ( 1.843 -10.723 -5.388) 12.142 ======================= Grid point 148 (78/90) ======================= q-point: ( 0.14 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 0.906 11.463 -5.806) 12.881 1.011 ( 1.921 10.485 2.967) 11.065 1.424 ( -3.142 4.102 6.025) 7.937 1.464 ( -2.583 0.546 1.456) 3.015 1.608 ( -1.622 0.938 0.348) 1.906 1.727 ( 3.486 -5.913 -5.030) 8.510 1.965 ( -5.883 3.164 7.495) 10.039 2.104 ( 0.427 -0.102 2.189) 2.233 2.144 ( -1.162 0.349 1.040) 1.597 2.230 ( 2.382 -0.744 -2.676) 3.659 2.416 ( -0.886 1.568 -0.470) 1.861 2.472 ( 1.373 -1.626 -3.097) 3.758 2.707 ( -0.925 0.900 1.843) 2.249 2.743 ( 1.290 -0.791 -2.131) 2.614 2.872 ( 0.064 -1.249 -0.678) 1.423 2.878 ( -0.111 -1.572 0.819) 1.776 3.777 ( 0.207 1.758 -0.804) 1.944 3.801 ( 1.301 0.639 -2.007) 2.476 3.994 ( -1.462 -0.770 1.775) 2.425 4.033 ( 1.133 -2.998 -3.197) 4.527 4.204 ( -3.783 0.362 4.567) 5.941 4.254 ( -2.635 -0.670 4.730) 5.456 4.375 ( 3.463 -1.075 -4.807) 6.021 4.400 ( 3.516 -1.216 -5.630) 6.748 4.751 ( -0.803 1.712 2.882) 3.447 4.757 ( 0.143 1.459 -0.949) 1.746 4.961 ( -0.554 4.204 0.151) 4.243 4.978 ( 0.270 3.503 -1.104) 3.682 5.529 ( -1.572 5.867 3.311) 6.918 5.570 ( 1.144 3.078 -1.796) 3.743 5.688 ( -2.287 7.216 3.680) 8.417 5.752 ( 0.671 6.080 -0.402) 6.130 5.813 ( -1.532 4.140 5.806) 7.294 5.865 ( 2.776 7.621 -6.341) 10.295 5.986 ( -0.637 -0.458 4.292) 4.363 6.017 ( 1.871 0.157 -5.503) 5.814 6.519 ( -0.807 7.396 -0.132) 7.441 6.541 ( 0.449 6.470 -0.873) 6.544 6.812 ( -1.335 -3.393 -1.681) 4.015 6.848 ( 0.304 -4.607 2.035) 5.046 7.418 ( -0.582 0.104 0.307) 0.666 7.435 ( 0.194 -1.464 -0.513) 1.563 7.497 ( -0.852 2.259 1.956) 3.107 7.519 ( 0.613 0.461 -1.495) 1.680 7.710 ( -1.647 1.486 3.201) 3.895 7.756 ( -0.700 0.952 1.088) 1.606 7.812 ( 0.447 -0.400 -0.631) 0.871 7.899 ( 3.888 -3.337 -5.312) 7.380 8.259 ( -1.880 0.541 1.564) 2.505 8.309 ( 0.741 -1.084 0.627) 1.455 8.389 ( -1.834 -2.170 1.538) 3.231 8.412 ( -0.387 -2.692 -1.017) 2.903 8.882 ( -2.314 -1.984 1.000) 3.208 8.948 ( -0.023 -5.172 0.519) 5.198 9.007 ( 1.404 -4.100 0.218) 4.339 9.027 ( 1.965 -5.443 -1.209) 5.912 12.224 ( -0.432 -0.698 0.108) 0.828 12.235 ( -0.163 -1.308 0.019) 1.318 12.266 ( -0.051 -1.498 0.339) 1.537 12.281 ( 0.498 -2.182 -0.451) 2.283 15.771 ( -1.858 3.580 -1.070) 4.173 15.783 ( -1.656 4.378 1.244) 4.843 15.864 ( -3.266 1.206 -0.985) 3.618 15.931 ( -0.189 0.037 -0.488) 0.525 16.028 ( 1.372 0.792 -0.461) 1.650 16.058 ( 2.287 -0.427 0.621) 2.408 16.169 ( 0.585 -0.696 1.226) 1.526 16.198 ( 1.900 -1.533 0.360) 2.468 17.892 ( -2.071 2.785 1.441) 3.758 17.986 ( 3.429 1.064 -1.381) 3.847 18.139 ( -3.677 -9.142 6.167) 11.624 18.190 ( -0.085 -8.823 -6.583) 11.008 ======================= Grid point 149 (79/90) ======================= q-point: ( 0.29 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 4.442 11.463 -4.997) 13.270 1.064 ( -0.470 8.246 3.241) 8.872 1.418 ( -3.742 3.750 4.763) 7.123 1.450 ( -2.100 2.166 2.977) 4.238 1.578 ( -1.882 1.408 0.262) 2.365 1.730 ( 3.615 -5.882 -6.203) 9.281 1.951 ( -5.447 2.612 8.363) 10.317 2.131 ( 0.463 0.062 0.482) 0.671 2.139 ( -1.472 -0.464 2.884) 3.271 2.238 ( 1.549 -0.562 -2.272) 2.807 2.390 ( -0.819 1.162 -1.296) 1.924 2.459 ( 1.221 -2.794 -3.338) 4.521 2.707 ( -0.990 1.448 1.310) 2.189 2.740 ( 1.266 -0.054 -2.633) 2.922 2.874 ( 0.673 -1.130 -0.183) 1.328 2.884 ( -0.493 -1.672 1.222) 2.129 3.771 ( 1.058 1.660 -2.091) 2.871 3.798 ( 0.401 0.508 -1.653) 1.775 3.980 ( -1.685 -0.893 1.022) 2.164 4.018 ( 1.382 -2.905 -3.523) 4.771 4.192 ( -3.293 0.856 4.824) 5.903 4.257 ( -2.971 -0.879 4.901) 5.798 4.377 ( 2.799 -1.066 -5.078) 5.895 4.402 ( 3.554 -1.198 -5.584) 6.726 4.758 ( 0.759 2.238 -0.380) 2.394 4.765 ( -0.976 2.126 2.533) 3.448 4.953 ( -0.616 4.139 0.254) 4.192 4.970 ( -0.122 3.559 -0.612) 3.613 5.538 ( -1.643 6.001 3.602) 7.189 5.577 ( 1.686 3.273 -1.468) 3.963 5.686 ( -1.708 6.782 2.499) 7.427 5.752 ( 0.103 4.650 -0.891) 4.736 5.842 ( -2.511 5.230 5.682) 8.121 5.861 ( 3.769 7.932 -5.168) 10.189 6.007 ( 2.944 0.612 -4.215) 5.177 6.015 ( -1.659 -0.637 4.180) 4.542 6.501 ( -0.686 7.201 -0.328) 7.241 6.534 ( -0.119 6.291 -0.884) 6.354 6.783 ( -0.355 -2.803 -0.451) 2.861 6.863 ( -0.507 -5.006 0.980) 5.126 7.412 ( -0.247 0.202 0.105) 0.336 7.431 ( -0.059 -1.625 -0.507) 1.704 7.499 ( -1.270 2.369 1.828) 3.251 7.514 ( 0.477 0.626 -1.292) 1.513 7.718 ( -1.400 1.717 3.074) 3.789 7.759 ( -0.169 1.457 0.772) 1.658 7.817 ( 0.302 -0.567 0.213) 0.677 7.909 ( 3.614 -3.632 -5.211) 7.309 8.250 ( -1.274 1.137 2.020) 2.645 8.324 ( 0.216 -1.271 0.328) 1.330 8.371 ( -1.994 -2.144 1.509) 3.293 8.394 ( -0.367 -2.413 -0.789) 2.565 8.867 ( -1.038 -1.822 1.664) 2.677 8.949 ( -0.239 -5.742 0.248) 5.753 9.023 ( 0.822 -4.024 -0.745) 4.174 9.052 ( 1.731 -5.992 -0.843) 6.294 12.218 ( -0.237 -0.643 0.002) 0.685 12.229 ( -0.538 -1.252 0.090) 1.366 12.272 ( 0.221 -1.603 0.256) 1.638 12.284 ( 0.325 -2.228 -0.421) 2.291 15.730 ( -1.542 3.254 -0.447) 3.629 15.759 ( -2.134 3.373 1.094) 4.139 15.810 ( -2.241 2.011 -0.016) 3.011 15.905 ( -1.061 -0.658 -1.791) 2.183 16.053 ( 1.821 1.790 -0.265) 2.567 16.098 ( 1.463 0.065 0.462) 1.535 16.205 ( 1.715 -1.260 1.167) 2.427 16.239 ( 1.117 -2.178 1.802) 3.039 17.877 ( -1.477 3.263 1.657) 3.947 18.035 ( 4.089 -1.859 -1.717) 4.808 18.104 ( -1.038 -5.212 -7.134) 8.896 18.122 ( -4.759 -8.257 4.696) 10.625 ======================= Grid point 150 (80/90) ======================= q-point: ( 0.43 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 4.930 9.947 -1.319) 11.180 1.059 ( -1.556 7.826 0.103) 7.980 1.388 ( -6.478 5.758 6.374) 10.758 1.466 ( 1.461 1.841 1.070) 2.582 1.556 ( -1.547 0.767 1.418) 2.234 1.720 ( 3.867 -5.424 -7.647) 10.142 1.955 ( -5.229 2.683 9.828) 11.451 2.120 ( 0.623 2.162 -3.030) 3.774 2.161 ( -2.018 -3.243 5.591) 6.771 2.234 ( 0.684 0.131 -2.096) 2.208 2.367 ( -0.553 0.398 -0.396) 0.788 2.447 ( 2.144 -4.004 -4.395) 6.320 2.701 ( -1.078 1.953 1.104) 2.489 2.734 ( 1.368 0.393 -2.659) 3.016 2.883 ( -0.835 -1.313 1.347) 2.058 2.891 ( 0.991 -1.405 -0.208) 1.732 3.771 ( 1.407 1.097 -1.879) 2.591 3.782 ( 0.004 0.478 -1.667) 1.734 3.962 ( -1.482 -0.934 1.009) 2.022 4.008 ( 1.935 -2.843 -3.763) 5.098 4.193 ( -2.869 0.942 5.436) 6.218 4.255 ( -3.038 -0.713 4.593) 5.553 4.366 ( 2.161 -0.747 -4.958) 5.460 4.405 ( 3.700 -1.410 -5.638) 6.889 4.763 ( -1.967 3.169 2.469) 4.473 4.778 ( 1.644 2.728 -0.724) 3.266 4.949 ( -0.124 3.847 0.423) 3.872 4.962 ( -0.175 3.205 -0.377) 3.232 5.547 ( -1.939 6.411 3.639) 7.623 5.594 ( 2.022 3.408 -1.646) 4.291 5.685 ( -1.419 5.724 2.442) 6.383 5.738 ( -0.303 4.081 -1.168) 4.256 5.839 ( -4.119 6.012 4.716) 8.680 5.883 ( 4.313 7.914 -3.986) 9.855 6.012 ( -2.735 0.233 2.587) 3.771 6.029 ( 4.067 0.134 -3.289) 5.232 6.493 ( -0.307 7.070 0.434) 7.090 6.521 ( -0.015 6.260 -1.229) 6.380 6.795 ( 1.167 -3.107 1.050) 3.481 6.850 ( -1.417 -4.726 -0.219) 4.939 7.411 ( -0.135 -0.254 0.325) 0.434 7.424 ( 0.027 -1.392 -0.591) 1.513 7.492 ( -1.494 2.450 1.587) 3.279 7.510 ( 0.680 0.955 -1.079) 1.593 7.725 ( -1.453 1.922 2.800) 3.694 7.766 ( 0.345 1.798 0.183) 1.840 7.825 ( -0.133 -0.936 0.921) 1.320 7.912 ( 3.209 -3.364 -5.396) 7.122 8.258 ( -0.723 1.114 2.577) 2.899 8.319 ( -0.385 -0.119 -0.944) 1.026 8.358 ( -1.745 -2.655 2.293) 3.918 8.388 ( 0.666 -2.743 -0.817) 2.938 8.879 ( -0.253 -2.228 2.340) 3.241 8.943 ( -0.063 -5.127 -0.991) 5.222 9.026 ( 0.008 -4.491 0.212) 4.496 9.061 ( 0.670 -6.215 -1.376) 6.400 12.216 ( -0.035 -0.743 0.077) 0.747 12.221 ( -0.371 -1.033 0.022) 1.098 12.277 ( 0.061 -1.822 0.198) 1.834 12.284 ( 0.196 -2.143 -0.378) 2.184 15.715 ( -0.181 3.263 0.507) 3.308 15.740 ( -1.011 3.761 0.247) 3.902 15.789 ( -0.654 0.933 1.170) 1.633 15.863 ( -0.731 -0.753 -2.768) 2.960 16.084 ( 1.579 2.018 0.380) 2.591 16.112 ( -0.245 1.075 -0.027) 1.103 16.246 ( 1.005 -2.285 1.501) 2.912 16.264 ( 0.094 -2.755 0.880) 2.893 17.878 ( -0.999 2.771 2.602) 3.930 18.014 ( -0.576 -1.001 -6.528) 6.630 18.075 ( -3.652 -6.720 3.509) 8.415 18.097 ( 3.361 -4.880 -2.007) 6.255 ======================= Grid point 151 (81/90) ======================= q-point: (-0.43 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -5.684 11.263 0.899) 12.648 1.112 ( 6.690 6.278 -3.759) 9.914 1.343 ( -6.781 7.425 7.635) 12.625 1.511 ( 3.371 2.077 -1.313) 4.171 1.557 ( -1.802 -0.887 4.211) 4.666 1.706 ( 4.486 -4.753 -8.319) 10.580 1.975 ( -5.357 3.182 10.943) 12.592 2.095 ( 0.735 1.618 -3.549) 3.969 2.180 ( -2.225 -2.833 4.783) 5.987 2.220 ( 0.454 0.667 -2.209) 2.352 2.366 ( -0.169 -0.316 1.282) 1.331 2.442 ( 3.119 -4.276 -5.047) 7.313 2.696 ( -1.008 1.955 1.288) 2.549 2.733 ( 1.548 0.331 -2.311) 2.802 2.877 ( -1.215 -0.920 1.178) 1.926 2.905 ( 1.022 -1.645 -0.753) 2.078 3.764 ( -0.279 0.897 -1.092) 1.441 3.779 ( 1.440 0.019 -1.474) 2.060 3.953 ( -1.051 -0.810 1.481) 1.989 4.007 ( 2.468 -2.783 -3.390) 5.032 4.206 ( -2.669 0.573 5.876) 6.479 4.250 ( -2.724 -0.285 3.894) 4.761 4.351 ( 2.013 -0.284 -4.436) 4.879 4.410 ( 3.764 -1.666 -5.667) 7.004 4.747 ( -2.435 3.814 2.133) 5.002 4.798 ( 1.465 2.445 -0.950) 3.005 4.956 ( 0.327 3.513 0.392) 3.550 4.958 ( 0.367 3.060 -0.521) 3.126 5.546 ( -2.291 6.740 3.171) 7.793 5.606 ( 1.638 3.456 -2.336) 4.482 5.688 ( -1.956 4.349 3.410) 5.862 5.723 ( 0.119 4.649 -1.059) 4.769 5.807 ( -4.611 6.545 4.013) 8.955 5.918 ( 3.595 7.178 -2.860) 8.522 5.984 ( -2.096 1.352 0.682) 2.586 6.071 ( 4.488 -0.422 -3.234) 5.547 6.492 ( -0.737 6.826 0.765) 6.908 6.517 ( 1.227 6.439 -1.114) 6.649 6.814 ( -1.887 -3.858 -0.798) 4.368 6.835 ( 1.613 -4.013 1.289) 4.513 7.410 ( -0.527 -0.145 0.433) 0.697 7.423 ( 0.444 -1.443 -0.425) 1.568 7.486 ( -1.061 2.135 1.450) 2.790 7.516 ( 1.054 1.037 -0.798) 1.680 7.726 ( -1.689 1.982 2.540) 3.638 7.773 ( 0.485 1.793 -0.346) 1.889 7.830 ( -0.509 -1.298 1.145) 1.804 7.907 ( 3.014 -2.822 -5.646) 6.994 8.275 ( -0.763 0.554 2.630) 2.794 8.301 ( -0.064 0.813 -1.098) 1.368 8.357 ( -1.175 -2.683 2.196) 3.661 8.395 ( 1.204 -3.072 -1.064) 3.467 8.902 ( -0.250 -2.897 2.398) 3.769 8.926 ( 0.299 -3.735 -1.992) 4.243 9.027 ( -1.098 -5.377 1.374) 5.657 9.051 ( 0.188 -6.011 -1.430) 6.181 12.215 ( -0.181 -0.849 0.155) 0.882 12.221 ( 0.312 -0.951 0.028) 1.001 12.278 ( -0.156 -1.910 0.198) 1.926 12.283 ( 0.094 -2.020 -0.360) 2.054 15.718 ( -0.407 3.997 0.334) 4.031 15.744 ( 2.085 3.352 -0.438) 3.972 15.807 ( 0.061 0.096 1.495) 1.500 15.835 ( 1.459 -0.422 -1.997) 2.509 16.089 ( -1.905 1.818 -0.185) 2.640 16.109 ( 0.498 1.380 0.315) 1.501 16.242 ( -2.322 -2.201 1.135) 3.394 16.286 ( 1.474 -3.444 -0.481) 3.777 17.900 ( -0.748 1.209 4.404) 4.628 17.953 ( 0.691 2.253 -4.672) 5.233 18.031 ( -4.849 -5.084 3.588) 7.889 18.152 ( 5.388 -7.307 -3.325) 9.668 ======================= Grid point 152 (82/90) ======================= q-point: (-0.29 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -4.610 14.460 1.034) 15.212 1.157 ( 4.297 4.669 -6.014) 8.743 1.328 ( -5.119 8.119 9.080) 13.213 1.543 ( 3.365 1.907 -3.806) 5.427 1.578 ( -2.447 -1.865 6.332) 7.040 1.703 ( 4.958 -4.240 -7.669) 10.069 1.996 ( -5.843 3.703 10.899) 12.909 2.075 ( 1.003 0.877 -3.019) 3.300 2.182 ( -2.496 -1.412 3.346) 4.407 2.208 ( 0.977 0.051 -2.213) 2.419 2.386 ( 0.509 -0.073 1.653) 1.731 2.449 ( 3.350 -3.438 -4.212) 6.386 2.694 ( -1.035 1.540 1.714) 2.526 2.737 ( 1.524 -0.222 -1.950) 2.485 2.868 ( -0.851 -0.616 0.678) 1.250 2.908 ( 0.498 -1.887 -1.152) 2.267 3.751 ( -0.194 1.285 -0.381) 1.354 3.791 ( 1.366 -0.520 -0.942) 1.739 3.958 ( -0.536 -0.614 1.940) 2.104 4.021 ( 2.678 -2.856 -2.690) 4.750 4.222 ( -2.804 0.087 5.853) 6.490 4.245 ( -2.305 0.179 3.351) 4.071 4.344 ( 2.256 -0.031 -3.855) 4.467 4.413 ( 3.539 -1.760 -5.757) 6.984 4.730 ( -1.893 3.621 1.958) 4.530 4.804 ( 0.399 1.460 -1.061) 1.849 4.963 ( 0.891 3.495 -0.673) 3.669 4.966 ( 0.569 3.133 -0.060) 3.185 5.536 ( -2.310 6.663 2.621) 7.523 5.601 ( 0.951 2.999 -2.662) 4.122 5.686 ( -3.125 4.409 4.650) 7.129 5.722 ( 0.771 6.216 -0.715) 6.305 5.776 ( -3.711 5.796 4.045) 7.983 5.934 ( 0.256 4.775 -0.523) 4.810 5.965 ( 1.344 3.707 -3.072) 4.998 6.104 ( 3.605 -1.031 -4.444) 5.815 6.491 ( -0.120 6.496 0.741) 6.539 6.531 ( 1.230 6.619 -0.674) 6.766 6.780 ( -1.157 -2.932 -0.024) 3.153 6.868 ( 0.990 -4.687 0.414) 4.809 7.407 ( -0.326 0.684 0.512) 0.914 7.428 ( 0.456 -1.794 -0.151) 1.857 7.486 ( -0.671 1.480 1.365) 2.122 7.526 ( 0.950 0.667 -0.760) 1.387 7.721 ( -1.964 1.774 2.547) 3.673 7.774 ( 0.242 1.521 -0.622) 1.661 7.831 ( -0.651 -1.487 0.779) 1.800 7.898 ( 3.083 -2.413 -5.869) 7.055 8.277 ( -0.252 0.755 -0.080) 0.801 8.301 ( -0.930 0.077 1.860) 2.080 8.366 ( -0.061 -2.240 1.546) 2.722 8.407 ( 1.462 -3.053 -1.150) 3.575 8.902 ( 0.350 -2.731 -1.456) 3.115 8.933 ( 0.188 -3.702 1.408) 3.965 9.014 ( -1.615 -5.331 0.958) 5.652 9.039 ( -0.616 -5.870 -0.372) 5.914 12.216 ( 0.093 -0.787 0.165) 0.810 12.228 ( 0.407 -1.166 0.129) 1.241 12.276 ( -0.300 -1.762 0.152) 1.794 12.280 ( -0.016 -1.993 -0.312) 2.017 15.724 ( 0.911 4.003 0.196) 4.110 15.780 ( 2.167 2.637 -0.792) 3.504 15.817 ( 1.849 1.050 -0.634) 2.218 15.877 ( 2.788 -0.322 0.765) 2.909 16.049 ( -2.455 1.928 0.091) 3.123 16.104 ( -1.252 -0.080 -0.021) 1.255 16.209 ( -2.109 -1.020 0.203) 2.351 16.284 ( -0.411 -3.464 -1.851) 3.949 17.918 ( 0.620 3.037 -1.222) 3.331 17.967 ( 0.664 -0.758 5.110) 5.208 17.988 ( -4.083 -2.923 2.872) 5.785 18.206 ( 5.066 -9.442 -3.789) 11.366 ======================= Grid point 153 (83/90) ======================= q-point: (-0.14 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -1.134 15.977 3.291) 16.352 1.135 ( 1.817 5.702 -7.839) 9.862 1.352 ( -3.279 7.006 8.699) 11.641 1.543 ( 0.318 0.335 -2.304) 2.350 1.604 ( -1.058 -0.841 3.981) 4.204 1.710 ( 4.373 -4.580 -6.327) 8.952 2.002 ( -6.222 4.049 9.870) 12.350 2.066 ( 1.038 0.609 -1.808) 2.172 2.171 ( -2.409 -0.929 2.656) 3.704 2.206 ( 1.913 -0.158 -2.810) 3.403 2.413 ( 0.534 0.826 1.368) 1.685 2.464 ( 2.948 -2.138 -3.426) 5.000 2.696 ( -1.110 1.008 2.185) 2.650 2.742 ( 1.214 -0.891 -1.761) 2.317 2.865 ( -0.154 -0.752 0.387) 0.859 2.899 ( 0.021 -1.896 -1.305) 2.302 3.753 ( 0.294 1.678 0.573) 1.797 3.803 ( 1.213 -0.358 -1.254) 1.781 3.974 ( -0.348 -0.581 2.313) 2.410 4.038 ( 2.291 -3.026 -2.443) 4.514 4.229 ( -3.376 -0.064 5.455) 6.416 4.244 ( -2.034 0.169 3.539) 4.085 4.347 ( 2.917 -0.218 -3.832) 4.821 4.409 ( 3.204 -1.657 -5.871) 6.891 4.726 ( -1.117 2.918 2.116) 3.774 4.792 ( -0.338 0.728 -1.183) 1.429 4.968 ( 0.167 4.174 -0.136) 4.179 4.976 ( 1.227 2.678 -1.098) 3.144 5.526 ( -1.982 6.358 2.599) 7.149 5.587 ( 0.639 2.590 -2.428) 3.607 5.683 ( -3.513 6.147 5.708) 9.094 5.730 ( 0.947 7.422 -0.665) 7.512 5.767 ( -2.455 3.990 4.333) 6.382 5.926 ( 0.102 5.110 -1.714) 5.390 5.953 ( 1.174 2.779 -3.022) 4.270 6.096 ( 2.056 -1.131 -6.113) 6.548 6.504 ( 0.408 6.439 1.103) 6.545 6.541 ( 0.843 6.989 -0.816) 7.087 6.780 ( 0.242 -2.905 1.593) 3.321 6.875 ( 0.001 -4.735 -0.770) 4.797 7.411 ( 0.007 0.909 0.775) 1.195 7.434 ( 0.383 -1.767 -0.181) 1.817 7.489 ( -0.696 1.187 1.351) 1.928 7.529 ( 0.557 0.464 -1.113) 1.328 7.713 ( -2.154 1.454 2.830) 3.842 7.768 ( -0.295 1.074 -0.280) 1.148 7.825 ( -0.451 -1.253 -0.110) 1.336 7.891 ( 3.391 -2.356 -5.919) 7.217 8.277 ( 0.462 0.632 -0.138) 0.795 8.296 ( -1.900 -0.608 1.892) 2.749 8.385 ( 0.227 -2.039 1.436) 2.504 8.419 ( 1.266 -3.008 -1.102) 3.444 8.904 ( 1.583 -2.538 -1.112) 3.192 8.944 ( -0.670 -4.117 0.953) 4.278 8.996 ( -1.956 -4.799 1.510) 5.398 9.020 ( -0.552 -5.445 -0.817) 5.534 12.221 ( 0.208 -0.815 0.265) 0.882 12.235 ( 0.200 -1.261 0.046) 1.278 12.271 ( -0.349 -1.616 0.136) 1.659 12.276 ( 0.056 -1.980 -0.286) 2.001 15.752 ( 1.449 4.293 0.808) 4.602 15.803 ( 1.421 2.708 -0.589) 3.115 15.856 ( 2.944 1.657 -0.312) 3.393 15.928 ( 2.447 -0.468 -0.343) 2.515 16.013 ( -2.022 1.571 0.785) 2.678 16.072 ( -1.960 -1.125 -0.466) 2.307 16.178 ( -1.320 -0.459 -0.267) 1.422 16.235 ( -2.031 -2.285 -2.608) 4.019 17.923 ( 1.716 3.875 -1.446) 4.477 17.950 ( -3.260 -0.559 2.056) 3.895 18.046 ( -0.121 -5.217 7.827) 9.407 18.241 ( 3.812 -10.742 -4.415) 12.223 ======================= Grid point 154 (84/90) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 1.326 -4.565 -1.483) 4.980 1.131 ( 1.326 4.565 -1.483) 4.980 1.442 ( -3.517 -2.920 4.236) 6.232 1.442 ( -3.517 2.920 4.236) 6.232 1.646 ( 2.341 -2.332 -3.529) 4.834 1.646 ( 2.341 2.332 -3.529) 4.834 2.057 ( -4.839 -2.992 6.847) 8.902 2.057 ( -4.839 2.992 6.847) 8.902 2.178 ( 2.363 -2.848 -3.004) 4.766 2.178 ( 2.363 2.848 -3.004) 4.766 2.453 ( 0.822 -1.074 -0.726) 1.535 2.453 ( 0.822 1.074 -0.726) 1.535 2.718 ( 0.190 -1.139 -0.024) 1.155 2.718 ( 0.190 1.139 -0.024) 1.155 2.863 ( 0.026 -0.443 -0.452) 0.633 2.863 ( 0.026 0.443 -0.452) 0.633 3.807 ( 0.633 -0.965 0.063) 1.156 3.807 ( 0.633 0.965 0.063) 1.156 3.990 ( 0.402 -1.426 -0.451) 1.549 3.990 ( 0.402 1.426 -0.451) 1.549 4.234 ( -3.783 -1.080 5.653) 6.887 4.234 ( -3.783 1.080 5.653) 6.887 4.373 ( 4.256 -1.403 -6.554) 7.939 4.373 ( 4.256 1.403 -6.554) 7.939 4.769 ( -0.822 -1.060 0.995) 1.670 4.769 ( -0.822 1.060 0.995) 1.670 5.010 ( 0.727 -0.290 -1.125) 1.370 5.010 ( 0.727 0.290 -1.125) 1.370 5.584 ( -0.613 -0.997 0.713) 1.370 5.584 ( -0.613 0.997 0.713) 1.370 5.774 ( -1.383 -1.833 3.344) 4.056 5.774 ( -1.383 1.833 3.344) 4.056 5.910 ( -1.075 -5.425 3.114) 6.347 5.910 ( -1.075 5.425 3.114) 6.347 6.015 ( 2.097 -4.006 -6.815) 8.179 6.015 ( 2.097 4.006 -6.815) 8.179 6.630 ( 0.669 -1.590 0.010) 1.725 6.630 ( 0.669 1.590 0.010) 1.725 6.768 ( -0.405 -2.115 0.167) 2.160 6.768 ( -0.405 2.115 0.167) 2.160 7.414 ( 0.014 -0.266 0.119) 0.292 7.414 ( 0.014 0.266 0.119) 0.292 7.521 ( -0.061 -0.923 0.209) 0.949 7.521 ( -0.061 0.923 0.209) 0.949 7.740 ( -2.693 -1.733 4.188) 5.273 7.740 ( -2.693 1.733 4.188) 5.273 7.842 ( 3.197 -2.244 -5.548) 6.785 7.842 ( 3.197 2.244 -5.548) 6.785 8.281 ( -1.068 -0.477 1.425) 1.843 8.281 ( -1.068 0.477 1.425) 1.843 8.384 ( 0.255 -0.853 -0.391) 0.973 8.384 ( 0.255 0.853 -0.391) 0.973 8.891 ( -0.647 -0.313 0.425) 0.835 8.891 ( -0.647 0.313 0.425) 0.835 8.950 ( 0.560 -0.748 -0.242) 0.965 8.950 ( 0.560 0.748 -0.242) 0.965 12.221 ( -0.137 -0.273 0.315) 0.439 12.221 ( -0.137 0.273 0.315) 0.439 12.253 ( 0.125 -0.300 -0.258) 0.415 12.253 ( 0.125 0.300 -0.258) 0.415 15.841 ( 0.215 -0.747 0.406) 0.877 15.841 ( 0.215 0.747 0.406) 0.877 15.913 ( 0.303 -0.842 -0.626) 1.092 15.913 ( 0.303 0.842 -0.626) 1.092 16.019 ( -0.494 -0.591 0.785) 1.100 16.019 ( -0.494 0.591 0.785) 1.100 16.169 ( -0.066 -0.569 -1.087) 1.228 16.169 ( -0.066 0.569 -1.087) 1.228 17.969 ( -1.801 -3.550 3.730) 5.455 17.969 ( -1.801 3.550 3.730) 5.455 18.068 ( 1.834 -6.095 -2.946) 7.014 18.068 ( 1.834 6.095 -2.946) 7.014 ======================= Grid point 156 (85/90) ======================= q-point: ( 0.14 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 0.982 -1.654 -2.122) 2.864 1.131 ( 0.982 1.654 -2.122) 2.864 1.436 ( -3.406 -1.427 5.853) 6.920 1.436 ( -3.406 1.427 5.853) 6.920 1.642 ( 1.797 -2.441 -3.899) 4.938 1.642 ( 1.797 2.441 -3.899) 4.938 2.046 ( -4.890 -4.478 7.071) 9.694 2.046 ( -4.890 4.478 7.071) 9.694 2.189 ( 2.374 -3.081 -2.893) 4.848 2.189 ( 2.374 3.081 -2.893) 4.848 2.445 ( -0.271 -1.310 -1.512) 2.019 2.445 ( -0.271 1.310 -1.512) 2.019 2.725 ( 0.677 -0.989 -0.330) 1.244 2.725 ( 0.677 0.989 -0.330) 1.244 2.860 ( 0.027 -0.143 -0.007) 0.146 2.860 ( 0.027 0.143 -0.007) 0.146 3.811 ( 0.566 -0.643 -1.155) 1.438 3.811 ( 0.566 0.643 -1.155) 1.438 3.985 ( -0.145 -0.939 -0.725) 1.195 3.985 ( -0.145 0.939 -0.725) 1.195 4.228 ( -3.774 -1.703 5.676) 7.026 4.228 ( -3.774 1.703 5.676) 7.026 4.378 ( 4.196 -0.931 -6.409) 7.717 4.378 ( 4.196 0.931 -6.409) 7.717 4.771 ( -0.364 -0.155 1.406) 1.460 4.771 ( -0.364 0.155 1.406) 1.460 5.007 ( 0.362 -0.473 -1.161) 1.305 5.007 ( 0.362 0.473 -1.161) 1.305 5.585 ( -0.283 -0.726 0.984) 1.255 5.585 ( -0.283 0.726 0.984) 1.255 5.781 ( -1.131 -1.910 1.930) 2.942 5.781 ( -1.131 1.910 1.930) 2.942 5.934 ( -1.132 -5.241 4.688) 7.122 5.934 ( -1.132 5.241 4.688) 7.122 5.987 ( 2.733 -3.944 -5.932) 7.630 5.987 ( 2.733 3.944 -5.932) 7.630 6.628 ( -0.038 -0.868 -1.225) 1.502 6.628 ( -0.038 0.868 -1.225) 1.502 6.764 ( -0.618 -1.422 0.772) 1.732 6.764 ( -0.618 1.422 0.772) 1.732 7.413 ( -0.193 -0.310 -0.042) 0.367 7.413 ( -0.193 0.310 -0.042) 0.367 7.523 ( -0.023 -0.427 0.149) 0.452 7.523 ( -0.023 0.427 0.149) 0.452 7.743 ( -2.235 -1.571 4.273) 5.072 7.743 ( -2.235 1.571 4.273) 5.072 7.841 ( 3.280 -2.532 -5.103) 6.573 7.841 ( 3.280 2.532 -5.103) 6.573 8.280 ( -1.054 -1.528 1.818) 2.598 8.280 ( -1.054 1.528 1.818) 2.598 8.378 ( -0.452 -0.746 -0.463) 0.987 8.378 ( -0.452 0.746 -0.463) 0.987 8.878 ( -1.317 -1.697 0.747) 2.275 8.878 ( -1.317 1.697 0.747) 2.275 8.968 ( 1.669 -0.405 -0.620) 1.825 8.968 ( 1.669 0.405 -0.620) 1.825 12.219 ( -0.314 -0.249 0.198) 0.447 12.219 ( -0.314 0.249 0.198) 0.447 12.254 ( 0.224 -0.410 -0.184) 0.502 12.254 ( 0.224 0.410 -0.184) 0.502 15.818 ( -2.508 -0.972 -0.269) 2.703 15.818 ( -2.508 0.972 -0.269) 2.703 15.896 ( -1.298 -2.590 -0.386) 2.922 15.896 ( -1.298 2.590 -0.386) 2.922 16.045 ( 2.018 -0.863 0.585) 2.271 16.045 ( 2.018 0.863 0.585) 2.271 16.177 ( 1.288 -0.897 0.222) 1.585 16.177 ( 1.288 0.897 0.222) 1.585 17.973 ( -2.049 -5.009 3.171) 6.273 17.973 ( -2.049 5.009 3.171) 6.273 18.060 ( 1.222 -3.841 -3.342) 5.236 18.060 ( 1.222 3.841 -3.342) 5.236 ======================= Grid point 158 (86/90) ======================= q-point: ( 0.29 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 1.607 -4.063 -1.723) 4.696 1.131 ( 1.607 4.063 -1.723) 4.696 1.440 ( -4.257 -2.114 6.940) 8.411 1.440 ( -4.257 2.114 6.940) 8.411 1.628 ( 2.246 -3.469 -4.959) 6.456 1.628 ( 2.246 3.469 -4.959) 6.456 2.042 ( -4.669 -5.686 7.864) 10.769 2.042 ( -4.669 5.686 7.864) 10.769 2.196 ( 1.935 -3.352 -2.934) 4.857 2.196 ( 1.935 3.352 -2.934) 4.857 2.417 ( -0.414 -1.574 -2.355) 2.862 2.417 ( -0.414 1.574 -2.355) 2.862 2.731 ( 0.706 -0.903 -0.827) 1.413 2.731 ( 0.706 0.903 -0.827) 1.413 2.864 ( 0.078 -0.228 0.509) 0.563 2.864 ( 0.078 0.228 0.509) 0.563 3.804 ( 0.570 -0.778 -1.965) 2.189 3.804 ( 0.570 0.778 -1.965) 2.189 3.972 ( -0.195 -1.009 -1.089) 1.497 3.972 ( -0.195 1.009 -1.089) 1.497 4.225 ( -3.649 -2.074 5.861) 7.208 4.225 ( -3.649 2.074 5.861) 7.208 4.380 ( 3.846 -0.932 -6.400) 7.524 4.380 ( 3.846 0.932 -6.400) 7.524 4.786 ( 0.023 -0.258 1.717) 1.736 4.786 ( 0.023 0.258 1.717) 1.736 4.998 ( 0.046 -0.520 -1.123) 1.238 4.998 ( 0.046 0.520 -1.123) 1.238 5.595 ( 0.004 -0.607 1.241) 1.381 5.595 ( 0.004 0.607 1.241) 1.381 5.775 ( -1.155 -1.820 0.869) 2.324 5.775 ( -1.155 1.820 0.869) 2.324 5.960 ( -1.617 -4.661 4.335) 6.568 5.960 ( -1.617 4.661 4.335) 6.568 5.985 ( 3.176 -3.800 -4.131) 6.450 5.985 ( 3.176 3.800 -4.131) 6.450 6.610 ( -0.115 -1.736 -1.543) 2.325 6.610 ( -0.115 1.736 -1.543) 2.325 6.763 ( -0.620 -3.285 0.946) 3.474 6.763 ( -0.620 3.285 0.946) 3.474 7.408 ( -0.190 -0.312 -0.181) 0.407 7.408 ( -0.190 0.312 -0.181) 0.407 7.522 ( -0.221 -0.151 0.203) 0.336 7.522 ( -0.221 0.151 0.203) 0.336 7.752 ( -1.905 -1.497 4.058) 4.726 7.752 ( -1.905 1.497 4.058) 4.726 7.846 ( 3.178 -2.755 -4.636) 6.260 7.846 ( 3.178 2.755 -4.636) 6.260 8.284 ( -1.107 -2.208 2.350) 3.409 8.284 ( -1.107 2.208 2.350) 3.409 8.362 ( -0.481 -0.790 -0.766) 1.202 8.362 ( -0.481 0.790 -0.766) 1.202 8.868 ( -0.785 -2.108 1.046) 2.481 8.868 ( -0.785 2.108 1.046) 2.481 8.985 ( 1.235 -0.585 -0.986) 1.685 8.985 ( 1.235 0.585 -0.986) 1.685 12.215 ( -0.319 -0.233 0.096) 0.406 12.215 ( -0.319 0.233 0.096) 0.406 12.256 ( 0.189 -0.311 -0.123) 0.384 12.256 ( 0.189 0.311 -0.123) 0.384 15.773 ( -2.142 -1.163 0.315) 2.458 15.773 ( -2.142 1.163 0.315) 2.458 15.864 ( -1.567 -2.991 -0.923) 3.501 15.864 ( -1.567 2.991 -0.923) 3.501 16.086 ( 1.984 -1.376 0.367) 2.442 16.086 ( 1.984 1.376 0.367) 2.442 16.207 ( 1.173 -1.142 0.905) 1.870 16.207 ( 1.173 1.142 0.905) 1.870 17.966 ( -2.394 -5.678 2.984) 6.847 17.966 ( -2.394 5.678 2.984) 6.847 18.042 ( 1.275 -1.046 -3.896) 4.231 18.042 ( 1.275 1.046 -3.896) 4.231 ======================= Grid point 160 (87/90) ======================= q-point: ( 0.43 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 1.873 -1.441 -1.404) 2.749 1.148 ( 1.873 1.441 -1.404) 2.749 1.436 ( -4.801 -1.809 7.492) 9.080 1.436 ( -4.801 1.809 7.492) 9.080 1.617 ( 3.216 -4.258 -5.957) 7.997 1.617 ( 3.216 4.258 -5.957) 7.997 2.051 ( -4.609 -6.171 8.781) 11.680 2.051 ( -4.609 6.171 8.781) 11.680 2.193 ( 1.528 -3.869 -3.197) 5.246 2.193 ( 1.528 3.869 -3.197) 5.246 2.388 ( 0.427 -1.783 -2.707) 3.270 2.388 ( 0.427 1.783 -2.707) 3.270 2.731 ( 0.440 -0.873 -0.989) 1.391 2.731 ( 0.440 0.873 -0.989) 1.391 2.872 ( 0.123 -0.347 0.577) 0.684 2.872 ( 0.123 0.347 0.577) 0.684 3.792 ( 0.417 -0.352 -1.781) 1.863 3.792 ( 0.417 0.352 -1.781) 1.863 3.959 ( 0.275 -1.334 -1.273) 1.864 3.959 ( 0.275 1.334 -1.273) 1.864 4.226 ( -3.615 -1.986 6.117) 7.377 4.226 ( -3.615 1.986 6.117) 7.377 4.376 ( 3.734 -1.351 -6.511) 7.626 4.376 ( 3.734 1.351 -6.511) 7.626 4.803 ( -0.251 -0.496 1.686) 1.776 4.803 ( -0.251 0.496 1.686) 1.776 4.988 ( 0.274 -0.287 -1.095) 1.165 4.988 ( 0.274 0.287 -1.095) 1.165 5.609 ( -0.014 -0.833 1.231) 1.486 5.609 ( -0.014 0.833 1.231) 1.486 5.762 ( -1.288 -1.525 0.780) 2.143 5.762 ( -1.288 1.525 0.780) 2.143 5.964 ( -2.863 -4.490 3.560) 6.405 5.964 ( -2.863 4.490 3.560) 6.406 6.006 ( 3.925 -3.153 -3.599) 6.189 6.006 ( 3.925 3.153 -3.599) 6.189 6.598 ( 0.381 -1.251 -1.088) 1.701 6.598 ( 0.381 1.251 -1.088) 1.701 6.762 ( -0.508 -2.203 0.768) 2.388 6.762 ( -0.508 2.203 0.768) 2.388 7.404 ( -0.088 -0.238 -0.170) 0.306 7.404 ( -0.088 0.238 -0.170) 0.306 7.520 ( -0.324 -0.333 0.290) 0.547 7.520 ( -0.324 0.333 0.290) 0.547 7.761 ( -1.944 -1.564 3.766) 4.518 7.761 ( -1.944 1.564 3.766) 4.518 7.851 ( 3.033 -2.746 -4.518) 6.095 7.851 ( 3.033 2.746 -4.518) 6.095 8.291 ( -1.269 -2.145 2.790) 3.741 8.291 ( -1.269 2.145 2.790) 3.741 8.348 ( 0.181 -1.253 -1.224) 1.761 8.348 ( 0.181 1.253 -1.224) 1.761 8.872 ( -0.271 -1.717 1.148) 2.083 8.872 ( -0.271 1.717 1.148) 2.083 8.988 ( 0.418 -0.867 -1.106) 1.466 8.988 ( 0.418 0.867 -1.106) 1.466 12.212 ( -0.194 -0.081 0.084) 0.227 12.212 ( -0.194 0.081 0.084) 0.227 12.258 ( 0.114 -0.203 -0.114) 0.260 12.258 ( 0.114 0.203 -0.114) 0.260 15.759 ( -0.438 -1.229 1.224) 1.789 15.759 ( -0.438 1.229 1.224) 1.789 15.826 ( -0.940 -2.600 -1.665) 3.227 15.826 ( -0.940 2.600 -1.665) 3.227 16.118 ( 0.839 -0.911 0.562) 1.360 16.118 ( 0.839 0.911 0.562) 1.360 16.228 ( 0.373 -0.627 0.518) 0.895 16.228 ( 0.373 0.627 0.518) 0.895 17.955 ( -2.715 -5.088 3.272) 6.630 17.955 ( -2.715 5.088 3.272) 6.630 18.027 ( 2.078 -2.162 -4.154) 5.123 18.027 ( 2.078 2.162 -4.154) 5.123 ======================= Grid point 162 (88/90) ======================= q-point: (-0.43 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 0.572 -4.271 -1.934) 4.723 1.153 ( 0.572 4.271 -1.934) 4.723 1.440 ( -3.976 -4.704 7.621) 9.799 1.440 ( -3.976 4.704 7.621) 9.799 1.616 ( 4.154 -4.164 -6.275) 8.601 1.616 ( 4.154 4.164 -6.275) 8.601 2.064 ( -4.791 -5.390 8.902) 11.457 2.064 ( -4.791 5.390 8.902) 11.457 2.183 ( 1.494 -3.924 -3.480) 5.453 2.183 ( 1.494 3.924 -3.480) 5.453 2.380 ( 1.621 -1.730 -2.037) 3.126 2.380 ( 1.621 1.730 -2.037) 3.126 2.727 ( 0.164 -1.058 -0.693) 1.275 2.727 ( 0.164 1.058 -0.693) 1.275 2.878 ( 0.047 -0.926 0.106) 0.934 2.878 ( 0.047 0.926 0.106) 0.934 3.782 ( 0.151 -0.435 -0.883) 0.996 3.782 ( 0.151 0.435 -0.883) 0.996 3.956 ( 0.874 -1.649 -1.050) 2.141 3.956 ( 0.874 1.649 -1.050) 2.141 4.230 ( -3.518 -1.516 6.183) 7.274 4.230 ( -3.518 1.516 6.183) 7.274 4.372 ( 3.892 -1.923 -6.546) 7.854 4.372 ( 3.892 1.923 -6.546) 7.854 4.807 ( -1.172 -1.668 1.283) 2.408 4.807 ( -1.172 1.668 1.283) 2.408 4.988 ( 1.002 -0.280 -1.037) 1.469 4.988 ( 1.002 0.280 -1.037) 1.469 5.616 ( -0.501 -1.224 0.637) 1.468 5.616 ( -0.501 1.224 0.637) 1.468 5.752 ( -1.392 -1.362 1.773) 2.634 5.752 ( -1.392 1.362 1.773) 2.634 5.942 ( -3.103 -4.945 2.544) 6.368 5.942 ( -3.103 4.945 2.544) 6.368 6.040 ( 4.158 -3.421 -3.691) 6.528 6.040 ( 4.158 3.421 -3.691) 6.528 6.596 ( 0.428 -1.211 -0.844) 1.537 6.596 ( 0.428 1.211 -0.844) 1.537 6.763 ( -0.149 -1.125 0.614) 1.290 6.763 ( -0.149 1.125 0.614) 1.290 7.402 ( 0.039 -0.212 -0.031) 0.218 7.402 ( 0.039 0.212 -0.031) 0.218 7.519 ( -0.228 -0.829 0.406) 0.951 7.519 ( -0.228 0.829 0.406) 0.951 7.763 ( -2.309 -1.730 3.556) 4.579 7.763 ( -2.309 1.730 3.556) 4.579 7.854 ( 2.985 -2.515 -4.782) 6.173 7.854 ( 2.985 2.515 -4.782) 6.173 8.296 ( -1.506 -1.418 2.568) 3.298 8.296 ( -1.506 1.418 2.568) 3.298 8.346 ( 1.107 -1.726 -1.235) 2.394 8.346 ( 1.107 1.726 -1.235) 2.394 8.879 ( -0.022 -0.739 0.601) 0.953 8.879 ( -0.022 0.739 0.601) 0.953 8.980 ( -0.283 -0.787 -0.496) 0.973 8.980 ( -0.283 0.787 -0.496) 0.973 12.211 ( -0.029 -0.218 0.148) 0.265 12.211 ( -0.029 0.218 0.148) 0.265 12.258 ( 0.064 -0.180 -0.131) 0.232 12.258 ( 0.064 0.180 -0.131) 0.232 15.773 ( 0.282 -1.332 0.516) 1.456 15.773 ( 0.282 1.332 0.516) 1.456 15.811 ( 1.330 -1.468 -0.791) 2.133 15.811 ( 1.330 1.468 -0.791) 2.133 16.119 ( -1.426 -0.772 0.454) 1.684 16.119 ( -1.426 0.772 0.454) 1.684 16.235 ( 0.190 -1.468 -0.092) 1.483 16.235 ( 0.190 1.468 -0.092) 1.483 17.945 ( -2.586 -3.345 3.694) 5.615 17.945 ( -2.586 3.345 3.694) 5.615 18.028 ( 2.844 -5.132 -3.762) 6.970 18.028 ( 2.844 5.132 -3.762) 6.970 ======================= Grid point 164 (89/90) ======================= q-point: (-0.29 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 0.115 -8.258 -2.051) 8.509 1.134 ( 0.115 8.258 -2.051) 8.509 1.455 ( -3.246 -6.233 6.514) 9.583 1.455 ( -3.246 6.233 6.514) 9.583 1.625 ( 4.237 -3.821 -5.735) 8.090 1.625 ( 4.237 3.821 -5.735) 8.090 2.070 ( -4.872 -3.407 7.889) 9.878 2.070 ( -4.872 3.407 7.889) 9.878 2.174 ( 1.711 -2.978 -3.269) 4.742 2.174 ( 1.711 2.978 -3.269) 4.742 2.400 ( 2.326 -1.467 -0.884) 2.889 2.400 ( 2.326 1.467 -0.884) 2.889 2.723 ( -0.082 -1.273 -0.266) 1.303 2.723 ( -0.082 1.273 -0.266) 1.303 2.876 ( -0.055 -1.238 -0.438) 1.314 2.876 ( -0.055 1.238 -0.438) 1.314 3.781 ( 0.219 -1.091 0.113) 1.118 3.781 ( 0.219 1.091 0.113) 1.118 3.966 ( 1.199 -1.882 -0.612) 2.314 3.966 ( 1.199 1.882 -0.612) 2.314 4.234 ( -3.419 -0.961 5.960) 6.938 4.234 ( -3.419 0.961 5.960) 6.938 4.371 ( 3.969 -2.238 -6.504) 7.941 4.371 ( 3.969 2.238 -6.504) 7.941 4.794 ( -1.520 -2.312 0.858) 2.897 4.794 ( -1.520 2.312 0.858) 2.897 4.997 ( 1.221 -0.380 -0.986) 1.615 4.997 ( 1.221 0.380 -0.986) 1.615 5.606 ( -0.949 -1.402 0.158) 1.700 5.606 ( -0.949 1.402 0.158) 1.700 5.752 ( -1.572 -1.558 3.113) 3.819 5.752 ( -1.572 1.558 3.113) 3.819 5.918 ( -2.303 -5.250 1.893) 6.038 5.918 ( -2.303 5.250 1.893) 6.038 6.062 ( 3.385 -3.743 -4.858) 7.005 6.062 ( 3.385 3.743 -4.858) 7.005 6.597 ( 0.535 -2.467 -0.277) 2.539 6.597 ( 0.535 2.467 -0.277) 2.539 6.769 ( 0.119 -3.841 0.318) 3.856 6.769 ( 0.119 3.841 0.318) 3.856 7.405 ( 0.190 -0.263 0.122) 0.347 7.405 ( 0.190 0.263 0.122) 0.347 7.520 ( -0.205 -1.235 0.459) 1.334 7.520 ( -0.205 1.235 0.459) 1.334 7.757 ( -2.731 -1.879 3.561) 4.866 7.757 ( -2.731 1.879 3.561) 4.866 7.853 ( 3.001 -2.226 -5.232) 6.429 7.853 ( 3.001 2.226 -5.232) 6.429 8.293 ( -1.393 -0.911 1.699) 2.378 8.293 ( -1.393 0.911 1.699) 2.378 8.359 ( 1.464 -1.532 -0.663) 2.220 8.359 ( 1.464 1.532 -0.663) 2.220 8.883 ( 0.273 -0.994 -0.159) 1.043 8.883 ( 0.273 0.994 -0.159) 1.043 8.969 ( -0.867 -0.870 0.336) 1.273 8.969 ( -0.867 0.870 0.336) 1.273 12.213 ( 0.080 -0.410 0.244) 0.484 12.213 ( 0.080 0.410 0.244) 0.484 12.257 ( 0.020 -0.149 -0.176) 0.231 12.257 ( 0.020 0.149 -0.176) 0.231 15.782 ( 1.278 -1.849 -0.455) 2.294 15.782 ( 1.278 1.849 -0.455) 2.294 15.850 ( 2.649 -2.019 0.361) 3.350 15.850 ( 2.649 2.019 0.361) 3.350 16.085 ( -2.708 -1.662 0.443) 3.208 16.085 ( -2.708 1.662 0.443) 3.208 16.228 ( -0.550 -2.289 -0.939) 2.535 16.228 ( -0.550 2.289 -0.939) 2.535 17.946 ( -2.107 -1.129 4.111) 4.755 17.946 ( -2.107 1.129 4.111) 4.755 18.043 ( 3.014 -6.926 -3.203) 8.205 18.043 ( 3.014 6.926 -3.203) 8.205 ======================= Grid point 166 (90/90) ======================= q-point: (-0.14 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 1.009 -8.558 -1.474) 8.742 1.124 ( 1.009 8.558 -1.474) 8.742 1.458 ( -3.388 -5.654 4.654) 8.069 1.458 ( -3.388 5.654 4.654) 8.069 1.638 ( 3.396 -3.148 -4.480) 6.443 1.638 ( 3.396 3.148 -4.480) 6.443 2.066 ( -4.701 -2.232 6.997) 8.720 2.066 ( -4.701 2.232 6.997) 8.720 2.173 ( 1.960 -2.455 -2.992) 4.338 2.173 ( 1.960 2.455 -2.992) 4.338 2.433 ( 1.999 -1.159 -0.382) 2.342 2.433 ( 1.999 1.159 -0.382) 2.342 2.719 ( -0.168 -1.311 -0.010) 1.322 2.719 ( -0.168 1.311 -0.010) 1.322 2.869 ( -0.034 -1.036 -0.640) 1.218 2.869 ( -0.034 1.036 -0.640) 1.218 3.792 ( 0.529 -1.429 0.584) 1.632 3.792 ( 0.529 1.429 0.584) 1.632 3.981 ( 1.011 -1.879 -0.369) 2.165 3.981 ( 1.011 1.879 -0.369) 2.165 4.237 ( -3.523 -0.719 5.728) 6.763 4.237 ( -3.523 0.719 5.728) 6.763 4.371 ( 4.026 -2.028 -6.549) 7.951 4.371 ( 4.026 2.028 -6.549) 7.951 4.778 ( -1.235 -1.974 0.754) 2.447 4.778 ( -1.235 1.974 0.754) 2.447 5.006 ( 1.006 -0.074 -1.029) 1.441 5.006 ( 1.006 0.074 -1.029) 1.441 5.592 ( -0.910 -1.264 0.354) 1.597 5.592 ( -0.910 1.264 0.354) 1.597 5.761 ( -1.656 -1.745 3.789) 4.488 5.761 ( -1.656 1.745 3.789) 4.488 5.905 ( -1.471 -5.397 1.942) 5.922 5.905 ( -1.471 5.397 1.942) 5.922 6.050 ( 2.283 -3.963 -6.394) 7.861 6.050 ( 2.283 3.963 -6.394) 7.861 6.611 ( 0.914 -2.618 0.448) 2.809 6.611 ( 0.914 2.618 0.448) 2.809 6.772 ( -0.021 -4.211 0.002) 4.212 6.772 ( -0.021 4.211 0.002) 4.212 7.410 ( 0.226 -0.282 0.186) 0.406 7.410 ( 0.226 0.282 0.186) 0.406 7.521 ( -0.214 -1.265 0.364) 1.333 7.521 ( -0.214 1.265 0.364) 1.333 7.747 ( -2.907 -1.876 3.837) 5.167 7.747 ( -2.907 1.876 3.837) 5.167 7.847 ( 3.061 -2.104 -5.582) 6.705 7.847 ( 3.061 2.104 -5.582) 6.705 8.286 ( -1.179 -0.446 1.317) 1.823 8.286 ( -1.179 0.446 1.317) 1.823 8.377 ( 1.102 -1.122 -0.428) 1.630 8.377 ( 1.102 1.122 -0.428) 1.630 8.889 ( 0.526 -1.137 -0.170) 1.264 8.889 ( 0.526 1.137 -0.170) 1.264 8.956 ( -1.037 -0.766 0.371) 1.342 8.956 ( -1.037 0.766 0.371) 1.342 12.218 ( 0.050 -0.447 0.322) 0.553 12.218 ( 0.050 0.447 0.322) 0.553 12.255 ( 0.017 -0.131 -0.241) 0.275 12.255 ( 0.017 0.131 -0.241) 0.275 15.812 ( 2.043 -1.685 0.288) 2.664 15.812 ( 2.043 1.685 0.288) 2.664 15.894 ( 2.160 -2.291 -0.207) 3.155 15.894 ( 2.160 2.291 -0.207) 3.155 16.043 ( -2.584 -1.548 0.647) 3.081 16.043 ( -2.584 1.548 0.647) 3.081 16.197 ( -1.139 -1.723 -1.591) 2.607 16.197 ( -1.139 1.723 -1.591) 2.607 17.957 ( -1.778 -1.444 4.170) 4.757 17.957 ( -1.778 1.444 4.170) 4.757 18.060 ( 2.590 -7.249 -2.894) 8.223 18.060 ( 2.590 7.249 -2.894) 8.223 =================== 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 3/20160 10.0 17.747 39.778 45.324 0.000 -18.701 0.000 3/20160 20.0 10.566 25.700 28.089 0.000 -13.080 0.000 3/20160 30.0 7.071 16.765 18.688 0.000 -8.980 0.000 3/20160 40.0 5.108 11.964 13.405 0.000 -6.499 0.000 3/20160 50.0 3.912 9.142 10.202 0.000 -4.956 0.000 3/20160 60.0 3.136 7.346 8.135 0.000 -3.950 0.000 3/20160 70.0 2.604 6.126 6.726 0.000 -3.261 0.000 3/20160 80.0 2.223 5.252 5.719 0.000 -2.769 0.000 3/20160 90.0 1.938 4.601 4.970 0.000 -2.403 0.000 3/20160 100.0 1.718 4.097 4.395 0.000 -2.122 0.000 3/20160 110.0 1.545 3.697 3.940 0.000 -1.900 0.000 3/20160 120.0 1.404 3.371 3.573 0.000 -1.721 0.000 3/20160 130.0 1.288 3.102 3.270 0.000 -1.573 0.000 3/20160 140.0 1.191 2.875 3.016 0.000 -1.449 0.000 3/20160 150.0 1.108 2.680 2.800 0.000 -1.343 0.000 3/20160 160.0 1.037 2.513 2.614 0.000 -1.252 0.000 3/20160 170.0 0.976 2.366 2.453 0.000 -1.173 0.000 3/20160 180.0 0.921 2.236 2.311 0.000 -1.104 0.000 3/20160 190.0 0.873 2.121 2.185 0.000 -1.042 0.000 3/20160 200.0 0.830 2.018 2.073 0.000 -0.988 0.000 3/20160 210.0 0.792 1.925 1.973 0.000 -0.938 0.000 3/20160 220.0 0.757 1.840 1.882 0.000 -0.894 0.000 3/20160 230.0 0.725 1.763 1.799 0.000 -0.854 0.000 3/20160 240.0 0.696 1.693 1.724 0.000 -0.817 0.000 3/20160 250.0 0.669 1.628 1.655 0.000 -0.783 0.000 3/20160 260.0 0.645 1.568 1.591 0.000 -0.752 0.000 3/20160 270.0 0.622 1.512 1.532 0.000 -0.723 0.000 3/20160 280.0 0.601 1.460 1.478 0.000 -0.697 0.000 3/20160 290.0 0.581 1.412 1.427 0.000 -0.672 0.000 3/20160 300.0 0.563 1.367 1.380 0.000 -0.650 0.000 3/20160 310.0 0.545 1.325 1.336 0.000 -0.628 0.000 3/20160 320.0 0.529 1.285 1.295 0.000 -0.608 0.000 3/20160 330.0 0.514 1.248 1.256 0.000 -0.590 0.000 3/20160 340.0 0.500 1.213 1.220 0.000 -0.572 0.000 3/20160 350.0 0.486 1.180 1.185 0.000 -0.555 0.000 3/20160 360.0 0.473 1.148 1.153 0.000 -0.540 0.000 3/20160 370.0 0.461 1.118 1.122 0.000 -0.525 0.000 3/20160 380.0 0.450 1.090 1.093 0.000 -0.511 0.000 3/20160 390.0 0.439 1.063 1.066 0.000 -0.498 0.000 3/20160 400.0 0.428 1.038 1.039 0.000 -0.485 0.000 3/20160 410.0 0.418 1.013 1.014 0.000 -0.473 0.000 3/20160 420.0 0.409 0.990 0.991 0.000 -0.462 0.000 3/20160 430.0 0.400 0.968 0.968 0.000 -0.451 0.000 3/20160 440.0 0.391 0.947 0.946 0.000 -0.441 0.000 3/20160 450.0 0.383 0.926 0.925 0.000 -0.431 0.000 3/20160 460.0 0.375 0.907 0.906 0.000 -0.422 0.000 3/20160 470.0 0.367 0.888 0.887 0.000 -0.413 0.000 3/20160 480.0 0.360 0.870 0.868 0.000 -0.404 0.000 3/20160 490.0 0.353 0.853 0.851 0.000 -0.396 0.000 3/20160 500.0 0.346 0.836 0.834 0.000 -0.388 0.000 3/20160 510.0 0.339 0.820 0.818 0.000 -0.380 0.000 3/20160 520.0 0.333 0.805 0.803 0.000 -0.373 0.000 3/20160 530.0 0.327 0.790 0.788 0.000 -0.366 0.000 3/20160 540.0 0.321 0.776 0.773 0.000 -0.359 0.000 3/20160 550.0 0.315 0.762 0.759 0.000 -0.352 0.000 3/20160 560.0 0.310 0.749 0.746 0.000 -0.346 0.000 3/20160 570.0 0.305 0.736 0.733 0.000 -0.340 0.000 3/20160 580.0 0.300 0.724 0.721 0.000 -0.334 0.000 3/20160 590.0 0.295 0.712 0.708 0.000 -0.328 0.000 3/20160 600.0 0.290 0.700 0.697 0.000 -0.323 0.000 3/20160 610.0 0.285 0.689 0.686 0.000 -0.318 0.000 3/20160 620.0 0.281 0.678 0.675 0.000 -0.312 0.000 3/20160 630.0 0.277 0.668 0.664 0.000 -0.307 0.000 3/20160 640.0 0.272 0.658 0.654 0.000 -0.303 0.000 3/20160 650.0 0.268 0.648 0.644 0.000 -0.298 0.000 3/20160 660.0 0.264 0.638 0.634 0.000 -0.293 0.000 3/20160 670.0 0.261 0.629 0.625 0.000 -0.289 0.000 3/20160 680.0 0.257 0.620 0.616 0.000 -0.285 0.000 3/20160 690.0 0.253 0.611 0.607 0.000 -0.281 0.000 3/20160 700.0 0.250 0.602 0.598 0.000 -0.277 0.000 3/20160 710.0 0.246 0.594 0.590 0.000 -0.273 0.000 3/20160 720.0 0.243 0.586 0.582 0.000 -0.269 0.000 3/20160 730.0 0.240 0.578 0.574 0.000 -0.265 0.000 3/20160 740.0 0.236 0.570 0.566 0.000 -0.262 0.000 3/20160 750.0 0.233 0.563 0.559 0.000 -0.258 0.000 3/20160 760.0 0.230 0.556 0.552 0.000 -0.255 0.000 3/20160 770.0 0.227 0.549 0.544 0.000 -0.251 0.000 3/20160 780.0 0.225 0.542 0.538 0.000 -0.248 0.000 3/20160 790.0 0.222 0.535 0.531 0.000 -0.245 0.000 3/20160 800.0 0.219 0.528 0.524 0.000 -0.242 0.000 3/20160 810.0 0.216 0.522 0.518 0.000 -0.239 0.000 3/20160 820.0 0.214 0.516 0.512 0.000 -0.236 0.000 3/20160 830.0 0.211 0.510 0.505 0.000 -0.233 0.000 3/20160 840.0 0.209 0.504 0.499 0.000 -0.230 0.000 3/20160 850.0 0.207 0.498 0.494 0.000 -0.228 0.000 3/20160 860.0 0.204 0.492 0.488 0.000 -0.225 0.000 3/20160 870.0 0.202 0.486 0.482 0.000 -0.223 0.000 3/20160 880.0 0.200 0.481 0.477 0.000 -0.220 0.000 3/20160 890.0 0.197 0.476 0.472 0.000 -0.218 0.000 3/20160 900.0 0.195 0.470 0.466 0.000 -0.215 0.000 3/20160 910.0 0.193 0.465 0.461 0.000 -0.213 0.000 3/20160 920.0 0.191 0.460 0.456 0.000 -0.210 0.000 3/20160 930.0 0.189 0.455 0.451 0.000 -0.208 0.000 3/20160 940.0 0.187 0.451 0.447 0.000 -0.206 0.000 3/20160 950.0 0.185 0.446 0.442 0.000 -0.204 0.000 3/20160 960.0 0.183 0.441 0.437 0.000 -0.202 0.000 3/20160 970.0 0.181 0.437 0.433 0.000 -0.200 0.000 3/20160 980.0 0.180 0.433 0.429 0.000 -0.198 0.000 3/20160 990.0 0.178 0.428 0.424 0.000 -0.196 0.000 3/20160 1000.0 0.176 0.424 0.420 0.000 -0.194 0.000 3/20160 Thermal conductivity related properties were written into "kappa-m785.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:46:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|