----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:15:18]------------------------- 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 6.940382469626233 0.000000000000000 0.000000000000000 b 0.000000000000000 6.671163859999999 0.000000000000000 c -0.735898231607701 0.000000000000000 12.774043869012045 Atomic positions (fractional): *1 Li 0.85000222678141 0.97716207111200 0.62872333723678 6.941 2 Li 0.14999777321859 0.47716207111200 0.87127666276322 6.941 3 Li 0.14999777321859 0.02283792888800 0.37127666276322 6.941 4 Li 0.85000222678141 0.52283792888800 0.12872333723678 6.941 *5 Al 0.29630137475325 0.33794461454493 0.10501060514745 26.982 6 Al 0.70369862524675 0.83794461454493 0.39498939485255 26.982 7 Al 0.70369862524675 0.66205538545507 0.89498939485255 26.982 8 Al 0.29630137475325 0.16205538545507 0.60501060514745 26.982 *9 Cl 0.30929458416227 0.18733501952636 0.95804227004473 35.453 10 Cl 0.69070541583773 0.68733501952636 0.54195772995527 35.453 11 Cl 0.69070541583773 0.81266498047364 0.04195772995527 35.453 12 Cl 0.30929458416227 0.31266498047364 0.45804227004473 35.453 *13 Cl 0.18803175324874 0.63455364384873 0.06515284193656 35.453 14 Cl 0.81196824675126 0.13455364384873 0.43484715806344 35.453 15 Cl 0.81196824675126 0.36544635615127 0.93484715806344 35.453 16 Cl 0.18803175324874 0.86544635615127 0.56515284193656 35.453 *17 Cl 0.07074537398118 0.21120180228540 0.19507084987808 35.453 18 Cl 0.92925462601882 0.71120180228540 0.30492915012192 35.453 19 Cl 0.92925462601882 0.78879819771460 0.80492915012192 35.453 20 Cl 0.07074537398118 0.28879819771460 0.69507084987808 35.453 *21 Cl 0.56601779405303 0.34122372808656 0.19400529310124 35.453 22 Cl 0.43398220594697 0.84122372808656 0.30599470689876 35.453 23 Cl 0.43398220594697 0.65877627191344 0.80599470689876 35.453 24 Cl 0.56601779405303 0.15877627191344 0.69400529310124 35.453 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.940382469626233 0.000000000000000 0.000000000000000 b 0.000000000000000 6.671163859999999 0.000000000000000 c -0.735898231607701 0.000000000000000 12.774043869012045 Atomic positions (fractional): *1 Li 0.85000222678141 0.97716207111200 0.62872333723678 6.941 > 1 2 Li 0.14999777321859 0.47716207111200 0.87127666276322 6.941 > 2 3 Li 0.14999777321859 0.02283792888800 0.37127666276322 6.941 > 3 4 Li 0.85000222678141 0.52283792888800 0.12872333723678 6.941 > 4 *5 Al 0.29630137475325 0.33794461454493 0.10501060514745 26.982 > 5 6 Al 0.70369862524675 0.83794461454493 0.39498939485255 26.982 > 6 7 Al 0.70369862524675 0.66205538545507 0.89498939485255 26.982 > 7 8 Al 0.29630137475325 0.16205538545507 0.60501060514745 26.982 > 8 *9 Cl 0.30929458416227 0.18733501952636 0.95804227004473 35.453 > 9 10 Cl 0.69070541583773 0.68733501952636 0.54195772995527 35.453 > 10 11 Cl 0.69070541583773 0.81266498047364 0.04195772995527 35.453 > 11 12 Cl 0.30929458416227 0.31266498047364 0.45804227004473 35.453 > 12 *13 Cl 0.18803175324874 0.63455364384873 0.06515284193656 35.453 > 13 14 Cl 0.81196824675126 0.13455364384873 0.43484715806344 35.453 > 14 15 Cl 0.81196824675126 0.36544635615127 0.93484715806344 35.453 > 15 16 Cl 0.18803175324874 0.86544635615127 0.56515284193656 35.453 > 16 *17 Cl 0.07074537398118 0.21120180228540 0.19507084987808 35.453 > 17 18 Cl 0.92925462601882 0.71120180228540 0.30492915012192 35.453 > 18 19 Cl 0.92925462601882 0.78879819771460 0.80492915012192 35.453 > 19 20 Cl 0.07074537398118 0.28879819771460 0.69507084987808 35.453 > 20 *21 Cl 0.56601779405303 0.34122372808656 0.19400529310124 35.453 > 21 22 Cl 0.43398220594697 0.84122372808656 0.30599470689876 35.453 > 22 23 Cl 0.43398220594697 0.65877627191344 0.80599470689876 35.453 > 23 24 Cl 0.56601779405303 0.15877627191344 0.69400529310124 35.453 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.880764939252465 0.000000000000000 0.000000000000000 b 0.000000000000000 13.342327719999998 0.000000000000000 c -0.735898231607701 0.000000000000000 12.774043869012045 Atomic positions (fractional): *1 Li 0.42500111339070 0.48858103555600 0.62872333723678 6.941 > 1 2 Li 0.92500111339070 0.48858103555600 0.62872333723678 6.941 > 1 3 Li 0.42500111339070 0.98858103555600 0.62872333723678 6.941 > 1 4 Li 0.92500111339070 0.98858103555600 0.62872333723678 6.941 > 1 5 Li 0.07499888660930 0.23858103555600 0.87127666276322 6.941 > 2 6 Li 0.57499888660930 0.23858103555600 0.87127666276322 6.941 > 2 7 Li 0.07499888660930 0.73858103555600 0.87127666276322 6.941 > 2 8 Li 0.57499888660930 0.73858103555600 0.87127666276322 6.941 > 2 9 Li 0.07499888660930 0.01141896444400 0.37127666276322 6.941 > 3 10 Li 0.57499888660930 0.01141896444400 0.37127666276322 6.941 > 3 11 Li 0.07499888660930 0.51141896444400 0.37127666276322 6.941 > 3 12 Li 0.57499888660930 0.51141896444400 0.37127666276322 6.941 > 3 13 Li 0.42500111339070 0.26141896444400 0.12872333723678 6.941 > 4 14 Li 0.92500111339070 0.26141896444400 0.12872333723678 6.941 > 4 15 Li 0.42500111339070 0.76141896444400 0.12872333723678 6.941 > 4 16 Li 0.92500111339070 0.76141896444400 0.12872333723678 6.941 > 4 *17 Al 0.14815068737663 0.16897230727247 0.10501060514745 26.982 > 5 18 Al 0.64815068737663 0.16897230727247 0.10501060514745 26.982 > 5 19 Al 0.14815068737663 0.66897230727247 0.10501060514745 26.982 > 5 20 Al 0.64815068737663 0.66897230727247 0.10501060514745 26.982 > 5 21 Al 0.35184931262337 0.41897230727246 0.39498939485255 26.982 > 6 22 Al 0.85184931262337 0.41897230727246 0.39498939485255 26.982 > 6 23 Al 0.35184931262337 0.91897230727246 0.39498939485255 26.982 > 6 24 Al 0.85184931262337 0.91897230727246 0.39498939485255 26.982 > 6 25 Al 0.35184931262337 0.33102769272754 0.89498939485255 26.982 > 7 26 Al 0.85184931262337 0.33102769272754 0.89498939485255 26.982 > 7 27 Al 0.35184931262337 0.83102769272754 0.89498939485255 26.982 > 7 28 Al 0.85184931262337 0.83102769272754 0.89498939485255 26.982 > 7 29 Al 0.14815068737663 0.08102769272754 0.60501060514745 26.982 > 8 30 Al 0.64815068737663 0.08102769272754 0.60501060514745 26.982 > 8 31 Al 0.14815068737663 0.58102769272753 0.60501060514745 26.982 > 8 32 Al 0.64815068737663 0.58102769272753 0.60501060514745 26.982 > 8 *33 Cl 0.15464729208114 0.09366750976318 0.95804227004473 35.453 > 9 34 Cl 0.65464729208114 0.09366750976318 0.95804227004473 35.453 > 9 35 Cl 0.15464729208114 0.59366750976318 0.95804227004473 35.453 > 9 36 Cl 0.65464729208114 0.59366750976318 0.95804227004473 35.453 > 9 37 Cl 0.34535270791886 0.34366750976318 0.54195772995527 35.453 > 10 38 Cl 0.84535270791886 0.34366750976318 0.54195772995527 35.453 > 10 39 Cl 0.34535270791886 0.84366750976318 0.54195772995527 35.453 > 10 40 Cl 0.84535270791886 0.84366750976318 0.54195772995527 35.453 > 10 41 Cl 0.34535270791886 0.40633249023682 0.04195772995527 35.453 > 11 42 Cl 0.84535270791886 0.40633249023682 0.04195772995527 35.453 > 11 43 Cl 0.34535270791886 0.90633249023682 0.04195772995527 35.453 > 11 44 Cl 0.84535270791886 0.90633249023682 0.04195772995527 35.453 > 11 45 Cl 0.15464729208114 0.15633249023682 0.45804227004473 35.453 > 12 46 Cl 0.65464729208114 0.15633249023682 0.45804227004473 35.453 > 12 47 Cl 0.15464729208114 0.65633249023682 0.45804227004473 35.453 > 12 48 Cl 0.65464729208114 0.65633249023682 0.45804227004473 35.453 > 12 *49 Cl 0.09401587662437 0.31727682192436 0.06515284193656 35.453 > 13 50 Cl 0.59401587662437 0.31727682192436 0.06515284193656 35.453 > 13 51 Cl 0.09401587662437 0.81727682192436 0.06515284193656 35.453 > 13 52 Cl 0.59401587662437 0.81727682192436 0.06515284193656 35.453 > 13 53 Cl 0.40598412337563 0.06727682192436 0.43484715806344 35.453 > 14 54 Cl 0.90598412337563 0.06727682192436 0.43484715806344 35.453 > 14 55 Cl 0.40598412337563 0.56727682192436 0.43484715806344 35.453 > 14 56 Cl 0.90598412337563 0.56727682192436 0.43484715806344 35.453 > 14 57 Cl 0.40598412337563 0.18272317807564 0.93484715806344 35.453 > 15 58 Cl 0.90598412337563 0.18272317807564 0.93484715806344 35.453 > 15 59 Cl 0.40598412337563 0.68272317807564 0.93484715806344 35.453 > 15 60 Cl 0.90598412337563 0.68272317807564 0.93484715806344 35.453 > 15 61 Cl 0.09401587662437 0.43272317807564 0.56515284193656 35.453 > 16 62 Cl 0.59401587662437 0.43272317807564 0.56515284193656 35.453 > 16 63 Cl 0.09401587662437 0.93272317807564 0.56515284193656 35.453 > 16 64 Cl 0.59401587662437 0.93272317807564 0.56515284193656 35.453 > 16 *65 Cl 0.03537268699059 0.10560090114270 0.19507084987808 35.453 > 17 66 Cl 0.53537268699059 0.10560090114270 0.19507084987808 35.453 > 17 67 Cl 0.03537268699059 0.60560090114270 0.19507084987808 35.453 > 17 68 Cl 0.53537268699059 0.60560090114270 0.19507084987808 35.453 > 17 69 Cl 0.46462731300941 0.35560090114270 0.30492915012192 35.453 > 18 70 Cl 0.96462731300941 0.35560090114270 0.30492915012192 35.453 > 18 71 Cl 0.46462731300941 0.85560090114270 0.30492915012192 35.453 > 18 72 Cl 0.96462731300941 0.85560090114270 0.30492915012192 35.453 > 18 73 Cl 0.46462731300941 0.39439909885730 0.80492915012192 35.453 > 19 74 Cl 0.96462731300941 0.39439909885730 0.80492915012192 35.453 > 19 75 Cl 0.46462731300941 0.89439909885730 0.80492915012192 35.453 > 19 76 Cl 0.96462731300941 0.89439909885730 0.80492915012192 35.453 > 19 77 Cl 0.03537268699059 0.14439909885730 0.69507084987808 35.453 > 20 78 Cl 0.53537268699059 0.14439909885730 0.69507084987808 35.453 > 20 79 Cl 0.03537268699059 0.64439909885730 0.69507084987808 35.453 > 20 80 Cl 0.53537268699059 0.64439909885730 0.69507084987808 35.453 > 20 *81 Cl 0.28300889702651 0.17061186404328 0.19400529310124 35.453 > 21 82 Cl 0.78300889702651 0.17061186404328 0.19400529310124 35.453 > 21 83 Cl 0.28300889702651 0.67061186404328 0.19400529310124 35.453 > 21 84 Cl 0.78300889702651 0.67061186404328 0.19400529310124 35.453 > 21 85 Cl 0.21699110297349 0.42061186404328 0.30599470689876 35.453 > 22 86 Cl 0.71699110297349 0.42061186404328 0.30599470689876 35.453 > 22 87 Cl 0.21699110297349 0.92061186404328 0.30599470689876 35.453 > 22 88 Cl 0.71699110297349 0.92061186404328 0.30599470689876 35.453 > 22 89 Cl 0.21699110297349 0.32938813595672 0.80599470689876 35.453 > 23 90 Cl 0.71699110297349 0.32938813595672 0.80599470689876 35.453 > 23 91 Cl 0.21699110297349 0.82938813595672 0.80599470689876 35.453 > 23 92 Cl 0.71699110297349 0.82938813595672 0.80599470689876 35.453 > 23 93 Cl 0.28300889702651 0.07938813595672 0.69400529310124 35.453 > 24 94 Cl 0.78300889702651 0.07938813595672 0.69400529310124 35.453 > 24 95 Cl 0.28300889702651 0.57938813595672 0.69400529310124 35.453 > 24 96 Cl 0.78300889702651 0.57938813595672 0.69400529310124 35.453 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6909451 0.0000000 0.0113569 0.0000000 2.5278382 0.0000000 0.0113587 0.0000000 2.6574378 -------------------------- Born effective charges -------------------------- 1 Li 1.2517390 0.0169717 -0.0624065 0.0404300 0.9924292 -0.0253395 0.0783265 0.0043216 1.2243024 2 Li 1.2517390 -0.0169717 -0.0624065 -0.0404300 0.9924292 0.0253395 0.0783265 -0.0043216 1.2243024 3 Li 1.2517390 0.0169717 -0.0624065 0.0404300 0.9924292 -0.0253395 0.0783265 0.0043216 1.2243024 4 Li 1.2517390 -0.0169717 -0.0624065 -0.0404300 0.9924292 0.0253395 0.0783265 -0.0043216 1.2243024 5 Al 2.5081754 -0.0826293 0.1064139 0.0241187 2.0433504 -0.0528409 -0.0493084 -0.0741048 2.4073746 6 Al 2.5081754 0.0826293 0.1064139 -0.0241187 2.0433504 0.0528409 -0.0493084 0.0741048 2.4073746 7 Al 2.5081754 -0.0826293 0.1064139 0.0241187 2.0433504 -0.0528409 -0.0493084 -0.0741048 2.4073746 8 Al 2.5081754 0.0826293 0.1064139 -0.0241187 2.0433504 0.0528409 -0.0493084 0.0741048 2.4073746 9 Cl -0.5592666 0.1151149 0.0318427 0.0954404 -0.7324689 -0.2060024 -0.0059846 -0.1852151 -1.1524974 10 Cl -0.5592666 -0.1151149 0.0318427 -0.0954404 -0.7324689 0.2060024 -0.0059846 0.1852151 -1.1524974 11 Cl -0.5592666 0.1151149 0.0318427 0.0954404 -0.7324689 -0.2060024 -0.0059846 -0.1852151 -1.1524974 12 Cl -0.5592666 -0.1151149 0.0318427 -0.0954404 -0.7324689 0.2060024 -0.0059846 0.1852151 -1.1524974 13 Cl -0.8235649 0.2011904 -0.0308630 0.2300837 -1.0064355 0.1176475 -0.0288799 0.1146158 -0.7750028 14 Cl -0.8235649 -0.2011904 -0.0308630 -0.2300837 -1.0064355 -0.1176475 -0.0288799 -0.1146158 -0.7750028 15 Cl -0.8235649 0.2011904 -0.0308630 0.2300837 -1.0064355 0.1176475 -0.0288799 0.1146158 -0.7750028 16 Cl -0.8235649 -0.2011904 -0.0308630 -0.2300837 -1.0064355 -0.1176475 -0.0288799 -0.1146158 -0.7750028 17 Cl -1.0350238 -0.0751386 0.2561489 -0.1130393 -0.7776705 0.3960128 0.2788926 0.3888107 -0.9721914 18 Cl -1.0350238 0.0751386 0.2561489 0.1130393 -0.7776705 -0.3960128 0.2788926 -0.3888107 -0.9721914 19 Cl -1.0350238 -0.0751386 0.2561489 -0.1130393 -0.7776705 0.3960128 0.2788926 0.3888107 -0.9721914 20 Cl -1.0350238 0.0751386 0.2561489 0.1130393 -0.7776705 -0.3960128 0.2788926 -0.3888107 -0.9721914 21 Cl -1.3420591 -0.1519970 -0.3011360 -0.1562224 -0.5192047 0.0312060 -0.2730462 0.0347302 -0.7319855 22 Cl -1.3420591 0.1519970 -0.3011360 0.1562224 -0.5192047 -0.0312060 -0.2730462 -0.0347302 -0.7319855 23 Cl -1.3420591 -0.1519970 -0.3011360 -0.1562224 -0.5192047 0.0312060 -0.2730462 0.0347302 -0.7319855 24 Cl -1.3420591 0.1519970 -0.3011360 0.1562224 -0.5192047 -0.0312060 -0.2730462 -0.0347302 -0.7319855 ---------------------------------------------------------------------------- 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: 0.666 Solver_block: 200 / 720 - Time: 0.587 Solver_block: 300 / 720 - Time: 0.586 Solver_block: 400 / 720 - Time: 0.585 Solver_block: 500 / 720 - Time: 0.582 Solver_block: 600 / 720 - Time: 0.589 Solver_block: 700 / 720 - Time: 0.587 Solver_block: 720 / 720 - Time: 0.209 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.496 --------------------------------- 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 05:15:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:15:50]------------------------- 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 6.940382469626233 0.000000000000000 0.000000000000000 b 0.000000000000000 6.671163859999999 0.000000000000000 c -0.735898231607701 0.000000000000000 12.774043869012045 Atomic positions (fractional): 1 Li 0.85000222678141 0.97716207111200 0.62872333723678 6.941 2 Li 0.14999777321859 0.47716207111200 0.87127666276322 6.941 3 Li 0.14999777321859 0.02283792888800 0.37127666276322 6.941 4 Li 0.85000222678141 0.52283792888800 0.12872333723678 6.941 5 Al 0.29630137475325 0.33794461454493 0.10501060514745 26.982 6 Al 0.70369862524675 0.83794461454493 0.39498939485255 26.982 7 Al 0.70369862524675 0.66205538545507 0.89498939485255 26.982 8 Al 0.29630137475325 0.16205538545507 0.60501060514745 26.982 9 Cl 0.30929458416227 0.18733501952636 0.95804227004473 35.453 10 Cl 0.69070541583773 0.68733501952636 0.54195772995527 35.453 11 Cl 0.69070541583773 0.81266498047364 0.04195772995527 35.453 12 Cl 0.30929458416227 0.31266498047364 0.45804227004473 35.453 13 Cl 0.18803175324874 0.63455364384873 0.06515284193656 35.453 14 Cl 0.81196824675126 0.13455364384873 0.43484715806344 35.453 15 Cl 0.81196824675126 0.36544635615127 0.93484715806344 35.453 16 Cl 0.18803175324874 0.86544635615127 0.56515284193656 35.453 17 Cl 0.07074537398118 0.21120180228540 0.19507084987808 35.453 18 Cl 0.92925462601882 0.71120180228540 0.30492915012192 35.453 19 Cl 0.92925462601882 0.78879819771460 0.80492915012192 35.453 20 Cl 0.07074537398118 0.28879819771460 0.69507084987808 35.453 21 Cl 0.56601779405303 0.34122372808656 0.19400529310124 35.453 22 Cl 0.43398220594697 0.84122372808656 0.30599470689876 35.453 23 Cl 0.43398220594697 0.65877627191344 0.80599470689876 35.453 24 Cl 0.56601779405303 0.15877627191344 0.69400529310124 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.880764939252465 0.000000000000000 0.000000000000000 b 0.000000000000000 13.342327719999998 0.000000000000000 c -0.735898231607701 0.000000000000000 12.774043869012045 Atomic positions (fractional): 1 Li 0.42500111339070 0.48858103555600 0.62872333723678 6.941 > 1 2 Li 0.92500111339070 0.48858103555600 0.62872333723678 6.941 > 1 3 Li 0.42500111339070 0.98858103555600 0.62872333723678 6.941 > 1 4 Li 0.92500111339070 0.98858103555600 0.62872333723678 6.941 > 1 5 Li 0.07499888660930 0.23858103555600 0.87127666276322 6.941 > 5 6 Li 0.57499888660930 0.23858103555600 0.87127666276322 6.941 > 5 7 Li 0.07499888660930 0.73858103555600 0.87127666276322 6.941 > 5 8 Li 0.57499888660930 0.73858103555600 0.87127666276322 6.941 > 5 9 Li 0.07499888660930 0.01141896444400 0.37127666276322 6.941 > 9 10 Li 0.57499888660930 0.01141896444400 0.37127666276322 6.941 > 9 11 Li 0.07499888660930 0.51141896444400 0.37127666276322 6.941 > 9 12 Li 0.57499888660930 0.51141896444400 0.37127666276322 6.941 > 9 13 Li 0.42500111339070 0.26141896444400 0.12872333723678 6.941 > 13 14 Li 0.92500111339070 0.26141896444400 0.12872333723678 6.941 > 13 15 Li 0.42500111339070 0.76141896444400 0.12872333723678 6.941 > 13 16 Li 0.92500111339070 0.76141896444400 0.12872333723678 6.941 > 13 17 Al 0.14815068737663 0.16897230727247 0.10501060514745 26.982 > 17 18 Al 0.64815068737663 0.16897230727247 0.10501060514745 26.982 > 17 19 Al 0.14815068737663 0.66897230727247 0.10501060514745 26.982 > 17 20 Al 0.64815068737663 0.66897230727247 0.10501060514745 26.982 > 17 21 Al 0.35184931262337 0.41897230727246 0.39498939485255 26.982 > 21 22 Al 0.85184931262337 0.41897230727246 0.39498939485255 26.982 > 21 23 Al 0.35184931262337 0.91897230727246 0.39498939485255 26.982 > 21 24 Al 0.85184931262337 0.91897230727246 0.39498939485255 26.982 > 21 25 Al 0.35184931262337 0.33102769272754 0.89498939485255 26.982 > 25 26 Al 0.85184931262337 0.33102769272754 0.89498939485255 26.982 > 25 27 Al 0.35184931262337 0.83102769272754 0.89498939485255 26.982 > 25 28 Al 0.85184931262337 0.83102769272754 0.89498939485255 26.982 > 25 29 Al 0.14815068737663 0.08102769272754 0.60501060514745 26.982 > 29 30 Al 0.64815068737663 0.08102769272754 0.60501060514745 26.982 > 29 31 Al 0.14815068737663 0.58102769272753 0.60501060514745 26.982 > 29 32 Al 0.64815068737663 0.58102769272753 0.60501060514745 26.982 > 29 33 Cl 0.15464729208114 0.09366750976318 0.95804227004473 35.453 > 33 34 Cl 0.65464729208114 0.09366750976318 0.95804227004473 35.453 > 33 35 Cl 0.15464729208114 0.59366750976318 0.95804227004473 35.453 > 33 36 Cl 0.65464729208114 0.59366750976318 0.95804227004473 35.453 > 33 37 Cl 0.34535270791886 0.34366750976318 0.54195772995527 35.453 > 37 38 Cl 0.84535270791886 0.34366750976318 0.54195772995527 35.453 > 37 39 Cl 0.34535270791886 0.84366750976318 0.54195772995527 35.453 > 37 40 Cl 0.84535270791886 0.84366750976318 0.54195772995527 35.453 > 37 41 Cl 0.34535270791886 0.40633249023682 0.04195772995527 35.453 > 41 42 Cl 0.84535270791886 0.40633249023682 0.04195772995527 35.453 > 41 43 Cl 0.34535270791886 0.90633249023682 0.04195772995527 35.453 > 41 44 Cl 0.84535270791886 0.90633249023682 0.04195772995527 35.453 > 41 45 Cl 0.15464729208114 0.15633249023682 0.45804227004473 35.453 > 45 46 Cl 0.65464729208114 0.15633249023682 0.45804227004473 35.453 > 45 47 Cl 0.15464729208114 0.65633249023682 0.45804227004473 35.453 > 45 48 Cl 0.65464729208114 0.65633249023682 0.45804227004473 35.453 > 45 49 Cl 0.09401587662437 0.31727682192436 0.06515284193656 35.453 > 49 50 Cl 0.59401587662437 0.31727682192436 0.06515284193656 35.453 > 49 51 Cl 0.09401587662437 0.81727682192436 0.06515284193656 35.453 > 49 52 Cl 0.59401587662437 0.81727682192436 0.06515284193656 35.453 > 49 53 Cl 0.40598412337563 0.06727682192436 0.43484715806344 35.453 > 53 54 Cl 0.90598412337563 0.06727682192436 0.43484715806344 35.453 > 53 55 Cl 0.40598412337563 0.56727682192436 0.43484715806344 35.453 > 53 56 Cl 0.90598412337563 0.56727682192436 0.43484715806344 35.453 > 53 57 Cl 0.40598412337563 0.18272317807564 0.93484715806344 35.453 > 57 58 Cl 0.90598412337563 0.18272317807564 0.93484715806344 35.453 > 57 59 Cl 0.40598412337563 0.68272317807564 0.93484715806344 35.453 > 57 60 Cl 0.90598412337563 0.68272317807564 0.93484715806344 35.453 > 57 61 Cl 0.09401587662437 0.43272317807564 0.56515284193656 35.453 > 61 62 Cl 0.59401587662437 0.43272317807564 0.56515284193656 35.453 > 61 63 Cl 0.09401587662437 0.93272317807564 0.56515284193656 35.453 > 61 64 Cl 0.59401587662437 0.93272317807564 0.56515284193656 35.453 > 61 65 Cl 0.03537268699059 0.10560090114270 0.19507084987808 35.453 > 65 66 Cl 0.53537268699059 0.10560090114270 0.19507084987808 35.453 > 65 67 Cl 0.03537268699059 0.60560090114270 0.19507084987808 35.453 > 65 68 Cl 0.53537268699059 0.60560090114270 0.19507084987808 35.453 > 65 69 Cl 0.46462731300941 0.35560090114270 0.30492915012192 35.453 > 69 70 Cl 0.96462731300941 0.35560090114270 0.30492915012192 35.453 > 69 71 Cl 0.46462731300941 0.85560090114270 0.30492915012192 35.453 > 69 72 Cl 0.96462731300941 0.85560090114270 0.30492915012192 35.453 > 69 73 Cl 0.46462731300941 0.39439909885730 0.80492915012192 35.453 > 73 74 Cl 0.96462731300941 0.39439909885730 0.80492915012192 35.453 > 73 75 Cl 0.46462731300941 0.89439909885730 0.80492915012192 35.453 > 73 76 Cl 0.96462731300941 0.89439909885730 0.80492915012192 35.453 > 73 77 Cl 0.03537268699059 0.14439909885730 0.69507084987808 35.453 > 77 78 Cl 0.53537268699059 0.14439909885730 0.69507084987808 35.453 > 77 79 Cl 0.03537268699059 0.64439909885730 0.69507084987808 35.453 > 77 80 Cl 0.53537268699059 0.64439909885730 0.69507084987808 35.453 > 77 81 Cl 0.28300889702651 0.17061186404328 0.19400529310124 35.453 > 81 82 Cl 0.78300889702651 0.17061186404328 0.19400529310124 35.453 > 81 83 Cl 0.28300889702651 0.67061186404328 0.19400529310124 35.453 > 81 84 Cl 0.78300889702651 0.67061186404328 0.19400529310124 35.453 > 81 85 Cl 0.21699110297349 0.42061186404328 0.30599470689876 35.453 > 85 86 Cl 0.71699110297349 0.42061186404328 0.30599470689876 35.453 > 85 87 Cl 0.21699110297349 0.92061186404328 0.30599470689876 35.453 > 85 88 Cl 0.71699110297349 0.92061186404328 0.30599470689876 35.453 > 85 89 Cl 0.21699110297349 0.32938813595672 0.80599470689876 35.453 > 89 90 Cl 0.71699110297349 0.32938813595672 0.80599470689876 35.453 > 89 91 Cl 0.21699110297349 0.82938813595672 0.80599470689876 35.453 > 89 92 Cl 0.71699110297349 0.82938813595672 0.80599470689876 35.453 > 89 93 Cl 0.28300889702651 0.07938813595672 0.69400529310124 35.453 > 93 94 Cl 0.78300889702651 0.07938813595672 0.69400529310124 35.453 > 93 95 Cl 0.28300889702651 0.57938813595672 0.69400529310124 35.453 > 93 96 Cl 0.78300889702651 0.57938813595672 0.69400529310124 35.453 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6909451 0.0000000 0.0113569 0.0000000 2.5278382 0.0000000 0.0113587 0.0000000 2.6574378 -------------------------- Born effective charges -------------------------- 1 Li 1.2517390 0.0169717 -0.0624065 0.0404300 0.9924292 -0.0253395 0.0783265 0.0043216 1.2243024 2 Li 1.2517390 -0.0169717 -0.0624065 -0.0404300 0.9924292 0.0253395 0.0783265 -0.0043216 1.2243024 3 Li 1.2517390 0.0169717 -0.0624065 0.0404300 0.9924292 -0.0253395 0.0783265 0.0043216 1.2243024 4 Li 1.2517390 -0.0169717 -0.0624065 -0.0404300 0.9924292 0.0253395 0.0783265 -0.0043216 1.2243024 5 Al 2.5081754 -0.0826293 0.1064139 0.0241187 2.0433504 -0.0528409 -0.0493084 -0.0741048 2.4073746 6 Al 2.5081754 0.0826293 0.1064139 -0.0241187 2.0433504 0.0528409 -0.0493084 0.0741048 2.4073746 7 Al 2.5081754 -0.0826293 0.1064139 0.0241187 2.0433504 -0.0528409 -0.0493084 -0.0741048 2.4073746 8 Al 2.5081754 0.0826293 0.1064139 -0.0241187 2.0433504 0.0528409 -0.0493084 0.0741048 2.4073746 9 Cl -0.5592666 0.1151149 0.0318427 0.0954404 -0.7324689 -0.2060024 -0.0059846 -0.1852151 -1.1524974 10 Cl -0.5592666 -0.1151149 0.0318427 -0.0954404 -0.7324689 0.2060024 -0.0059846 0.1852151 -1.1524974 11 Cl -0.5592666 0.1151149 0.0318427 0.0954404 -0.7324689 -0.2060024 -0.0059846 -0.1852151 -1.1524974 12 Cl -0.5592666 -0.1151149 0.0318427 -0.0954404 -0.7324689 0.2060024 -0.0059846 0.1852151 -1.1524974 13 Cl -0.8235649 0.2011904 -0.0308630 0.2300837 -1.0064355 0.1176475 -0.0288799 0.1146158 -0.7750028 14 Cl -0.8235649 -0.2011904 -0.0308630 -0.2300837 -1.0064355 -0.1176475 -0.0288799 -0.1146158 -0.7750028 15 Cl -0.8235649 0.2011904 -0.0308630 0.2300837 -1.0064355 0.1176475 -0.0288799 0.1146158 -0.7750028 16 Cl -0.8235649 -0.2011904 -0.0308630 -0.2300837 -1.0064355 -0.1176475 -0.0288799 -0.1146158 -0.7750028 17 Cl -1.0350238 -0.0751386 0.2561489 -0.1130393 -0.7776705 0.3960128 0.2788926 0.3888107 -0.9721914 18 Cl -1.0350238 0.0751386 0.2561489 0.1130393 -0.7776705 -0.3960128 0.2788926 -0.3888107 -0.9721914 19 Cl -1.0350238 -0.0751386 0.2561489 -0.1130393 -0.7776705 0.3960128 0.2788926 0.3888107 -0.9721914 20 Cl -1.0350238 0.0751386 0.2561489 0.1130393 -0.7776705 -0.3960128 0.2788926 -0.3888107 -0.9721914 21 Cl -1.3420591 -0.1519970 -0.3011360 -0.1562224 -0.5192047 0.0312060 -0.2730462 0.0347302 -0.7319855 22 Cl -1.3420591 0.1519970 -0.3011360 0.1562224 -0.5192047 -0.0312060 -0.2730462 -0.0347302 -0.7319855 23 Cl -1.3420591 -0.1519970 -0.3011360 -0.1562224 -0.5192047 0.0312060 -0.2730462 0.0347302 -0.7319855 24 Cl -1.3420591 0.1519970 -0.3011360 0.1562224 -0.5192047 -0.0312060 -0.2730462 -0.0347302 -0.7319855 ---------------------------------------------------------------------------- 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) 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 05:16:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:16:11]------------------------- 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 6.940382469626233 0.000000000000000 0.000000000000000 b 0.000000000000000 6.671163859999999 0.000000000000000 c -0.735898231607701 0.000000000000000 12.774043869012045 Atomic positions (fractional): 1 Li 0.85000222678141 0.97716207111200 0.62872333723678 6.941 2 Li 0.14999777321859 0.47716207111200 0.87127666276322 6.941 3 Li 0.14999777321859 0.02283792888800 0.37127666276322 6.941 4 Li 0.85000222678141 0.52283792888800 0.12872333723678 6.941 5 Al 0.29630137475325 0.33794461454493 0.10501060514745 26.982 6 Al 0.70369862524675 0.83794461454493 0.39498939485255 26.982 7 Al 0.70369862524675 0.66205538545507 0.89498939485255 26.982 8 Al 0.29630137475325 0.16205538545507 0.60501060514745 26.982 9 Cl 0.30929458416227 0.18733501952636 0.95804227004473 35.453 10 Cl 0.69070541583773 0.68733501952636 0.54195772995527 35.453 11 Cl 0.69070541583773 0.81266498047364 0.04195772995527 35.453 12 Cl 0.30929458416227 0.31266498047364 0.45804227004473 35.453 13 Cl 0.18803175324874 0.63455364384873 0.06515284193656 35.453 14 Cl 0.81196824675126 0.13455364384873 0.43484715806344 35.453 15 Cl 0.81196824675126 0.36544635615127 0.93484715806344 35.453 16 Cl 0.18803175324874 0.86544635615127 0.56515284193656 35.453 17 Cl 0.07074537398118 0.21120180228540 0.19507084987808 35.453 18 Cl 0.92925462601882 0.71120180228540 0.30492915012192 35.453 19 Cl 0.92925462601882 0.78879819771460 0.80492915012192 35.453 20 Cl 0.07074537398118 0.28879819771460 0.69507084987808 35.453 21 Cl 0.56601779405303 0.34122372808656 0.19400529310124 35.453 22 Cl 0.43398220594697 0.84122372808656 0.30599470689876 35.453 23 Cl 0.43398220594697 0.65877627191344 0.80599470689876 35.453 24 Cl 0.56601779405303 0.15877627191344 0.69400529310124 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.880764939252465 0.000000000000000 0.000000000000000 b 0.000000000000000 13.342327719999998 0.000000000000000 c -0.735898231607701 0.000000000000000 12.774043869012045 Atomic positions (fractional): 1 Li 0.42500111339070 0.48858103555600 0.62872333723678 6.941 > 1 2 Li 0.92500111339070 0.48858103555600 0.62872333723678 6.941 > 1 3 Li 0.42500111339070 0.98858103555600 0.62872333723678 6.941 > 1 4 Li 0.92500111339070 0.98858103555600 0.62872333723678 6.941 > 1 5 Li 0.07499888660930 0.23858103555600 0.87127666276322 6.941 > 5 6 Li 0.57499888660930 0.23858103555600 0.87127666276322 6.941 > 5 7 Li 0.07499888660930 0.73858103555600 0.87127666276322 6.941 > 5 8 Li 0.57499888660930 0.73858103555600 0.87127666276322 6.941 > 5 9 Li 0.07499888660930 0.01141896444400 0.37127666276322 6.941 > 9 10 Li 0.57499888660930 0.01141896444400 0.37127666276322 6.941 > 9 11 Li 0.07499888660930 0.51141896444400 0.37127666276322 6.941 > 9 12 Li 0.57499888660930 0.51141896444400 0.37127666276322 6.941 > 9 13 Li 0.42500111339070 0.26141896444400 0.12872333723678 6.941 > 13 14 Li 0.92500111339070 0.26141896444400 0.12872333723678 6.941 > 13 15 Li 0.42500111339070 0.76141896444400 0.12872333723678 6.941 > 13 16 Li 0.92500111339070 0.76141896444400 0.12872333723678 6.941 > 13 17 Al 0.14815068737663 0.16897230727247 0.10501060514745 26.982 > 17 18 Al 0.64815068737663 0.16897230727247 0.10501060514745 26.982 > 17 19 Al 0.14815068737663 0.66897230727247 0.10501060514745 26.982 > 17 20 Al 0.64815068737663 0.66897230727247 0.10501060514745 26.982 > 17 21 Al 0.35184931262337 0.41897230727246 0.39498939485255 26.982 > 21 22 Al 0.85184931262337 0.41897230727246 0.39498939485255 26.982 > 21 23 Al 0.35184931262337 0.91897230727246 0.39498939485255 26.982 > 21 24 Al 0.85184931262337 0.91897230727246 0.39498939485255 26.982 > 21 25 Al 0.35184931262337 0.33102769272754 0.89498939485255 26.982 > 25 26 Al 0.85184931262337 0.33102769272754 0.89498939485255 26.982 > 25 27 Al 0.35184931262337 0.83102769272754 0.89498939485255 26.982 > 25 28 Al 0.85184931262337 0.83102769272754 0.89498939485255 26.982 > 25 29 Al 0.14815068737663 0.08102769272754 0.60501060514745 26.982 > 29 30 Al 0.64815068737663 0.08102769272754 0.60501060514745 26.982 > 29 31 Al 0.14815068737663 0.58102769272753 0.60501060514745 26.982 > 29 32 Al 0.64815068737663 0.58102769272753 0.60501060514745 26.982 > 29 33 Cl 0.15464729208114 0.09366750976318 0.95804227004473 35.453 > 33 34 Cl 0.65464729208114 0.09366750976318 0.95804227004473 35.453 > 33 35 Cl 0.15464729208114 0.59366750976318 0.95804227004473 35.453 > 33 36 Cl 0.65464729208114 0.59366750976318 0.95804227004473 35.453 > 33 37 Cl 0.34535270791886 0.34366750976318 0.54195772995527 35.453 > 37 38 Cl 0.84535270791886 0.34366750976318 0.54195772995527 35.453 > 37 39 Cl 0.34535270791886 0.84366750976318 0.54195772995527 35.453 > 37 40 Cl 0.84535270791886 0.84366750976318 0.54195772995527 35.453 > 37 41 Cl 0.34535270791886 0.40633249023682 0.04195772995527 35.453 > 41 42 Cl 0.84535270791886 0.40633249023682 0.04195772995527 35.453 > 41 43 Cl 0.34535270791886 0.90633249023682 0.04195772995527 35.453 > 41 44 Cl 0.84535270791886 0.90633249023682 0.04195772995527 35.453 > 41 45 Cl 0.15464729208114 0.15633249023682 0.45804227004473 35.453 > 45 46 Cl 0.65464729208114 0.15633249023682 0.45804227004473 35.453 > 45 47 Cl 0.15464729208114 0.65633249023682 0.45804227004473 35.453 > 45 48 Cl 0.65464729208114 0.65633249023682 0.45804227004473 35.453 > 45 49 Cl 0.09401587662437 0.31727682192436 0.06515284193656 35.453 > 49 50 Cl 0.59401587662437 0.31727682192436 0.06515284193656 35.453 > 49 51 Cl 0.09401587662437 0.81727682192436 0.06515284193656 35.453 > 49 52 Cl 0.59401587662437 0.81727682192436 0.06515284193656 35.453 > 49 53 Cl 0.40598412337563 0.06727682192436 0.43484715806344 35.453 > 53 54 Cl 0.90598412337563 0.06727682192436 0.43484715806344 35.453 > 53 55 Cl 0.40598412337563 0.56727682192436 0.43484715806344 35.453 > 53 56 Cl 0.90598412337563 0.56727682192436 0.43484715806344 35.453 > 53 57 Cl 0.40598412337563 0.18272317807564 0.93484715806344 35.453 > 57 58 Cl 0.90598412337563 0.18272317807564 0.93484715806344 35.453 > 57 59 Cl 0.40598412337563 0.68272317807564 0.93484715806344 35.453 > 57 60 Cl 0.90598412337563 0.68272317807564 0.93484715806344 35.453 > 57 61 Cl 0.09401587662437 0.43272317807564 0.56515284193656 35.453 > 61 62 Cl 0.59401587662437 0.43272317807564 0.56515284193656 35.453 > 61 63 Cl 0.09401587662437 0.93272317807564 0.56515284193656 35.453 > 61 64 Cl 0.59401587662437 0.93272317807564 0.56515284193656 35.453 > 61 65 Cl 0.03537268699059 0.10560090114270 0.19507084987808 35.453 > 65 66 Cl 0.53537268699059 0.10560090114270 0.19507084987808 35.453 > 65 67 Cl 0.03537268699059 0.60560090114270 0.19507084987808 35.453 > 65 68 Cl 0.53537268699059 0.60560090114270 0.19507084987808 35.453 > 65 69 Cl 0.46462731300941 0.35560090114270 0.30492915012192 35.453 > 69 70 Cl 0.96462731300941 0.35560090114270 0.30492915012192 35.453 > 69 71 Cl 0.46462731300941 0.85560090114270 0.30492915012192 35.453 > 69 72 Cl 0.96462731300941 0.85560090114270 0.30492915012192 35.453 > 69 73 Cl 0.46462731300941 0.39439909885730 0.80492915012192 35.453 > 73 74 Cl 0.96462731300941 0.39439909885730 0.80492915012192 35.453 > 73 75 Cl 0.46462731300941 0.89439909885730 0.80492915012192 35.453 > 73 76 Cl 0.96462731300941 0.89439909885730 0.80492915012192 35.453 > 73 77 Cl 0.03537268699059 0.14439909885730 0.69507084987808 35.453 > 77 78 Cl 0.53537268699059 0.14439909885730 0.69507084987808 35.453 > 77 79 Cl 0.03537268699059 0.64439909885730 0.69507084987808 35.453 > 77 80 Cl 0.53537268699059 0.64439909885730 0.69507084987808 35.453 > 77 81 Cl 0.28300889702651 0.17061186404328 0.19400529310124 35.453 > 81 82 Cl 0.78300889702651 0.17061186404328 0.19400529310124 35.453 > 81 83 Cl 0.28300889702651 0.67061186404328 0.19400529310124 35.453 > 81 84 Cl 0.78300889702651 0.67061186404328 0.19400529310124 35.453 > 81 85 Cl 0.21699110297349 0.42061186404328 0.30599470689876 35.453 > 85 86 Cl 0.71699110297349 0.42061186404328 0.30599470689876 35.453 > 85 87 Cl 0.21699110297349 0.92061186404328 0.30599470689876 35.453 > 85 88 Cl 0.71699110297349 0.92061186404328 0.30599470689876 35.453 > 85 89 Cl 0.21699110297349 0.32938813595672 0.80599470689876 35.453 > 89 90 Cl 0.71699110297349 0.32938813595672 0.80599470689876 35.453 > 89 91 Cl 0.21699110297349 0.82938813595672 0.80599470689876 35.453 > 89 92 Cl 0.71699110297349 0.82938813595672 0.80599470689876 35.453 > 89 93 Cl 0.28300889702651 0.07938813595672 0.69400529310124 35.453 > 93 94 Cl 0.78300889702651 0.07938813595672 0.69400529310124 35.453 > 93 95 Cl 0.28300889702651 0.57938813595672 0.69400529310124 35.453 > 93 96 Cl 0.78300889702651 0.57938813595672 0.69400529310124 35.453 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6909451 0.0000000 0.0113569 0.0000000 2.5278382 0.0000000 0.0113587 0.0000000 2.6574378 -------------------------- Born effective charges -------------------------- 1 Li 1.2517390 0.0169717 -0.0624065 0.0404300 0.9924292 -0.0253395 0.0783265 0.0043216 1.2243024 2 Li 1.2517390 -0.0169717 -0.0624065 -0.0404300 0.9924292 0.0253395 0.0783265 -0.0043216 1.2243024 3 Li 1.2517390 0.0169717 -0.0624065 0.0404300 0.9924292 -0.0253395 0.0783265 0.0043216 1.2243024 4 Li 1.2517390 -0.0169717 -0.0624065 -0.0404300 0.9924292 0.0253395 0.0783265 -0.0043216 1.2243024 5 Al 2.5081754 -0.0826293 0.1064139 0.0241187 2.0433504 -0.0528409 -0.0493084 -0.0741048 2.4073746 6 Al 2.5081754 0.0826293 0.1064139 -0.0241187 2.0433504 0.0528409 -0.0493084 0.0741048 2.4073746 7 Al 2.5081754 -0.0826293 0.1064139 0.0241187 2.0433504 -0.0528409 -0.0493084 -0.0741048 2.4073746 8 Al 2.5081754 0.0826293 0.1064139 -0.0241187 2.0433504 0.0528409 -0.0493084 0.0741048 2.4073746 9 Cl -0.5592666 0.1151149 0.0318427 0.0954404 -0.7324689 -0.2060024 -0.0059846 -0.1852151 -1.1524974 10 Cl -0.5592666 -0.1151149 0.0318427 -0.0954404 -0.7324689 0.2060024 -0.0059846 0.1852151 -1.1524974 11 Cl -0.5592666 0.1151149 0.0318427 0.0954404 -0.7324689 -0.2060024 -0.0059846 -0.1852151 -1.1524974 12 Cl -0.5592666 -0.1151149 0.0318427 -0.0954404 -0.7324689 0.2060024 -0.0059846 0.1852151 -1.1524974 13 Cl -0.8235649 0.2011904 -0.0308630 0.2300837 -1.0064355 0.1176475 -0.0288799 0.1146158 -0.7750028 14 Cl -0.8235649 -0.2011904 -0.0308630 -0.2300837 -1.0064355 -0.1176475 -0.0288799 -0.1146158 -0.7750028 15 Cl -0.8235649 0.2011904 -0.0308630 0.2300837 -1.0064355 0.1176475 -0.0288799 0.1146158 -0.7750028 16 Cl -0.8235649 -0.2011904 -0.0308630 -0.2300837 -1.0064355 -0.1176475 -0.0288799 -0.1146158 -0.7750028 17 Cl -1.0350238 -0.0751386 0.2561489 -0.1130393 -0.7776705 0.3960128 0.2788926 0.3888107 -0.9721914 18 Cl -1.0350238 0.0751386 0.2561489 0.1130393 -0.7776705 -0.3960128 0.2788926 -0.3888107 -0.9721914 19 Cl -1.0350238 -0.0751386 0.2561489 -0.1130393 -0.7776705 0.3960128 0.2788926 0.3888107 -0.9721914 20 Cl -1.0350238 0.0751386 0.2561489 0.1130393 -0.7776705 -0.3960128 0.2788926 -0.3888107 -0.9721914 21 Cl -1.3420591 -0.1519970 -0.3011360 -0.1562224 -0.5192047 0.0312060 -0.2730462 0.0347302 -0.7319855 22 Cl -1.3420591 0.1519970 -0.3011360 0.1562224 -0.5192047 -0.0312060 -0.2730462 -0.0347302 -0.7319855 23 Cl -1.3420591 -0.1519970 -0.3011360 -0.1562224 -0.5192047 0.0312060 -0.2730462 0.0347302 -0.7319855 24 Cl -1.3420591 0.1519970 -0.3011360 0.1562224 -0.5192047 -0.0312060 -0.2730462 -0.0347302 -0.7319855 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.49, Number of G-points: 303, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.614 ( 0.000 0.000 0.000) 0.000 1.172 ( 0.000 0.000 0.000) 0.000 1.312 ( 0.000 0.000 0.000) 0.000 1.327 ( 0.000 0.000 0.000) 0.000 1.351 ( 0.000 0.000 0.000) 0.000 1.599 ( 0.000 0.000 0.000) 0.000 1.626 ( 0.000 0.000 0.000) 0.000 1.785 ( 0.000 0.000 0.000) 0.000 1.839 ( 0.000 0.000 0.000) 0.000 1.980 ( 0.000 0.000 0.000) 0.000 2.019 ( 0.000 0.000 0.000) 0.000 2.027 ( 0.000 0.000 0.000) 0.000 2.060 ( 0.000 0.000 0.000) 0.000 2.075 ( 0.000 0.000 0.000) 0.000 2.180 ( 0.000 0.000 0.000) 0.000 2.408 ( 0.000 0.000 0.000) 0.000 2.441 ( 0.000 0.000 0.000) 0.000 2.614 ( 0.000 0.000 0.000) 0.000 2.705 ( 0.000 0.000 0.000) 0.000 2.739 ( 0.000 0.000 0.000) 0.000 2.852 ( 0.000 0.000 0.000) 0.000 3.504 ( 0.000 0.000 0.000) 0.000 3.505 ( 0.000 0.000 0.000) 0.000 3.536 ( 0.000 0.000 0.000) 0.000 3.596 ( 0.000 0.000 0.000) 0.000 3.630 ( 0.000 0.000 0.000) 0.000 3.825 ( 0.000 0.000 0.000) 0.000 4.132 ( 0.000 0.000 0.000) 0.000 4.176 ( 0.000 0.000 0.000) 0.000 4.351 ( 0.000 0.000 0.000) 0.000 4.431 ( 0.000 0.000 0.000) 0.000 4.479 ( 0.000 0.000 0.000) 0.000 4.740 ( 0.000 0.000 0.000) 0.000 4.760 ( 0.000 0.000 0.000) 0.000 4.850 ( 0.000 0.000 0.000) 0.000 4.926 ( 0.000 0.000 0.000) 0.000 5.134 ( 0.000 0.000 0.000) 0.000 5.164 ( 0.000 0.000 0.000) 0.000 5.245 ( 0.000 0.000 0.000) 0.000 5.386 ( 0.000 0.000 0.000) 0.000 5.442 ( 0.000 0.000 0.000) 0.000 5.517 ( 0.000 0.000 0.000) 0.000 5.692 ( 0.000 0.000 0.000) 0.000 5.887 ( 0.000 0.000 0.000) 0.000 6.026 ( 0.000 0.000 0.000) 0.000 7.025 ( 0.000 0.000 0.000) 0.000 7.318 ( 0.000 0.000 0.000) 0.000 7.376 ( 0.000 0.000 0.000) 0.000 7.378 ( 0.000 0.000 0.000) 0.000 7.921 ( 0.000 0.000 0.000) 0.000 7.932 ( 0.000 0.000 0.000) 0.000 7.957 ( 0.000 0.000 0.000) 0.000 8.693 ( 0.000 0.000 0.000) 0.000 10.135 ( 0.000 0.000 0.000) 0.000 10.148 ( 0.000 0.000 0.000) 0.000 10.160 ( 0.000 0.000 0.000) 0.000 10.165 ( 0.000 0.000 0.000) 0.000 13.684 ( 0.000 0.000 0.000) 0.000 13.699 ( 0.000 0.000 0.000) 0.000 13.726 ( 0.000 0.000 0.000) 0.000 13.808 ( 0.000 0.000 0.000) 0.000 14.468 ( 0.000 0.000 0.000) 0.000 14.739 ( 0.000 0.000 0.000) 0.000 14.759 ( 0.000 0.000 0.000) 0.000 14.810 ( 0.000 0.000 0.000) 0.000 15.302 ( 0.000 0.000 0.000) 0.000 15.473 ( 0.000 0.000 0.000) 0.000 15.613 ( 0.000 0.000 0.000) 0.000 16.091 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.290 ( 14.033 0.000 5.771) 15.174 0.365 ( 18.238 0.000 0.497) 18.245 0.661 ( 12.541 0.000 0.687) 12.559 0.805 ( 29.854 0.000 -0.892) 29.867 1.262 ( 5.878 0.000 1.892) 6.175 1.346 ( 1.048 0.000 3.231) 3.397 1.358 ( 4.733 0.000 -4.316) 6.405 1.384 ( 2.549 0.000 -1.140) 2.792 1.560 ( -2.829 0.000 3.381) 4.409 1.725 ( 7.477 0.000 2.416) 7.857 1.779 ( -1.174 0.000 3.555) 3.744 1.851 ( 1.460 0.000 -7.718) 7.855 1.867 ( -7.086 0.000 -0.291) 7.092 2.047 ( 4.020 0.000 5.264) 6.624 2.074 ( 1.393 0.000 -0.947) 1.684 2.092 ( -4.641 0.000 -2.102) 5.095 2.148 ( 6.671 0.000 -6.378) 9.229 2.185 ( 4.758 0.000 -0.850) 4.834 2.363 ( -3.419 0.000 2.415) 4.186 2.452 ( 2.325 0.000 3.137) 3.904 2.596 ( -1.883 0.000 4.617) 4.986 2.693 ( -1.643 0.000 -5.223) 5.476 2.781 ( 2.610 0.000 -1.749) 3.142 2.870 ( 2.514 0.000 -0.091) 2.516 3.475 ( -4.171 0.000 -0.580) 4.211 3.486 ( -1.681 0.000 3.326) 3.727 3.555 ( 0.734 0.000 -2.468) 2.575 3.558 ( 1.813 0.000 -0.051) 1.814 3.728 ( 4.893 0.000 -0.551) 4.924 3.803 ( -1.862 0.000 -1.184) 2.207 4.109 ( -2.459 0.000 2.006) 3.174 4.169 ( -1.875 0.000 -7.969) 8.187 4.343 ( -0.083 0.000 -3.400) 3.401 4.449 ( 1.365 0.000 2.262) 2.643 4.507 ( 1.138 0.000 4.026) 4.184 4.708 ( -5.089 0.000 4.074) 6.519 4.713 ( -1.903 0.000 -2.062) 2.806 4.803 ( -2.756 0.000 4.948) 5.664 4.937 ( -0.008 0.000 -3.362) 3.362 5.032 ( -6.424 0.000 -9.809) 11.726 5.160 ( -0.185 0.000 -0.503) 0.536 5.241 ( -0.217 0.000 0.343) 0.406 5.471 ( 1.585 0.000 -0.854) 1.800 5.555 ( -4.799 0.000 -1.450) 5.013 5.620 ( 7.081 0.000 8.645) 11.175 5.723 ( 4.187 0.000 0.464) 4.212 5.990 ( 6.202 0.000 4.995) 7.964 6.115 ( 7.406 0.000 -6.223) 9.674 7.289 ( -2.402 0.000 2.711) 3.623 7.375 ( -0.352 0.000 1.220) 1.269 7.407 ( 2.481 0.000 -1.880) 3.113 7.770 ( -3.216 0.000 -19.957) 20.215 7.918 ( -1.547 0.000 2.503) 2.943 8.002 ( 3.846 0.000 3.332) 5.088 8.685 ( -0.586 0.000 -3.649) 3.696 8.780 ( -3.275 0.000 26.073) 26.278 10.120 ( -1.016 0.000 0.427) 1.102 10.143 ( -0.668 0.000 -0.608) 0.903 10.161 ( 0.242 0.000 0.108) 0.266 10.171 ( 0.311 0.000 0.010) 0.311 13.645 ( -1.516 0.000 -1.436) 2.088 13.719 ( -0.611 0.000 -0.209) 0.646 13.734 ( 1.026 0.000 2.573) 2.770 13.964 ( 0.886 0.000 -8.512) 8.558 14.686 ( -3.252 0.000 2.661) 4.202 14.725 ( 0.652 0.000 -21.445) 21.455 14.755 ( 1.006 0.000 -7.262) 7.332 14.952 ( 9.148 0.000 0.070) 9.148 15.444 ( -2.594 0.000 -0.022) 2.594 15.536 ( -6.752 0.000 -0.496) 6.770 16.021 ( -1.330 0.000 30.868) 30.896 16.054 ( -3.192 0.000 -3.588) 4.802 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 14.334 0.000 3.933) 14.864 0.734 ( 16.080 0.000 1.349) 16.137 0.865 ( 10.895 0.000 -1.400) 10.984 1.310 ( -0.962 0.000 -0.045) 0.963 1.315 ( 6.680 0.000 0.879) 6.738 1.434 ( 2.613 0.000 1.431) 2.979 1.435 ( -0.771 0.000 -1.856) 2.009 1.480 ( 18.773 0.000 -0.247) 18.775 1.557 ( 1.208 0.000 6.399) 6.512 1.716 ( 1.202 0.000 -1.883) 2.234 1.720 ( -6.610 0.000 -1.728) 6.832 1.887 ( 2.880 0.000 -6.701) 7.294 1.923 ( 7.080 0.000 2.969) 7.677 1.928 ( -8.871 0.000 -2.217) 9.143 2.068 ( -1.633 0.000 -1.208) 2.032 2.124 ( 0.792 0.000 4.066) 4.143 2.281 ( 3.305 0.000 2.619) 4.217 2.291 ( 3.495 0.000 -8.662) 9.340 2.339 ( 4.596 0.000 4.844) 6.677 2.528 ( 0.548 0.000 2.013) 2.086 2.622 ( 6.875 0.000 4.135) 8.022 2.649 ( -0.507 0.000 -3.497) 3.534 2.814 ( 0.850 0.000 -1.062) 1.361 2.957 ( 5.474 0.000 -2.192) 5.897 3.371 ( -5.034 0.000 -1.845) 5.362 3.453 ( -1.652 0.000 2.641) 3.115 3.600 ( 1.942 0.000 1.773) 2.629 3.601 ( 3.223 0.000 -1.331) 3.487 3.759 ( -1.684 0.000 -2.543) 3.050 3.821 ( 4.013 0.000 0.392) 4.032 4.025 ( -6.124 0.000 3.799) 7.206 4.106 ( -3.252 0.000 -6.052) 6.870 4.346 ( 0.609 0.000 -2.944) 3.006 4.479 ( 1.066 0.000 4.204) 4.337 4.489 ( -3.295 0.000 0.918) 3.421 4.639 ( -0.807 0.000 6.953) 7.000 4.702 ( 1.386 0.000 -0.166) 1.396 4.765 ( -1.522 0.000 0.739) 1.692 4.903 ( -4.903 0.000 -8.155) 9.516 4.934 ( -0.118 0.000 0.279) 0.303 5.149 ( -0.909 0.000 -2.226) 2.404 5.243 ( 0.257 0.000 3.223) 3.233 5.439 ( -5.586 0.000 -2.980) 6.331 5.499 ( 1.025 0.000 1.766) 2.042 5.754 ( 4.724 0.000 5.230) 7.047 5.834 ( 5.568 0.000 0.311) 5.576 6.129 ( 6.300 0.000 0.157) 6.302 6.248 ( 5.172 0.000 -5.681) 7.682 7.245 ( -1.844 0.000 2.685) 3.258 7.374 ( 0.302 0.000 3.014) 3.030 7.451 ( 1.666 0.000 -2.128) 2.702 7.652 ( -5.882 0.000 -12.997) 14.266 7.878 ( -2.339 0.000 2.560) 3.468 8.098 ( 4.228 0.000 6.224) 7.525 8.664 ( -0.653 0.000 -5.902) 5.938 8.739 ( -2.524 0.000 10.708) 11.002 10.105 ( -0.435 0.000 0.762) 0.877 10.123 ( -1.044 0.000 -0.866) 1.357 10.168 ( 0.361 0.000 0.322) 0.484 10.174 ( -0.079 0.000 -0.184) 0.200 13.630 ( 0.255 0.000 -2.145) 2.160 13.707 ( -0.439 0.000 0.102) 0.451 13.735 ( -1.230 0.000 3.155) 3.386 13.967 ( -0.005 0.000 -1.971) 1.971 14.643 ( -1.302 0.000 2.130) 2.496 14.717 ( 0.512 0.000 -12.145) 12.156 14.760 ( -0.308 0.000 1.788) 1.814 15.141 ( 8.224 0.000 2.126) 8.494 15.377 ( -7.413 0.000 -1.498) 7.563 15.385 ( -2.580 0.000 -0.242) 2.591 15.970 ( -3.986 0.000 -4.196) 5.788 16.031 ( -0.131 0.000 10.831) 10.832 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 11.126 0.000 1.790) 11.269 0.949 ( 5.077 0.000 -0.074) 5.077 1.132 ( 11.793 0.000 0.256) 11.796 1.214 ( -7.157 0.000 -1.094) 7.241 1.355 ( 0.187 0.000 0.926) 0.945 1.422 ( 0.319 0.000 0.864) 0.921 1.444 ( -0.234 0.000 2.678) 2.688 1.505 ( -3.071 0.000 1.786) 3.552 1.581 ( -7.037 0.000 -3.971) 8.080 1.714 ( -1.075 0.000 -1.664) 1.981 1.853 ( 7.227 0.000 -2.624) 7.688 1.890 ( 7.091 0.000 0.243) 7.096 1.920 ( 0.468 0.000 -1.322) 1.402 2.020 ( 2.144 0.000 1.503) 2.619 2.030 ( -1.140 0.000 -0.594) 1.286 2.122 ( 0.045 0.000 2.345) 2.345 2.230 ( -4.757 0.000 -2.403) 5.330 2.319 ( -0.020 0.000 3.082) 3.083 2.499 ( 5.810 0.000 -0.501) 5.832 2.525 ( 0.101 0.000 0.553) 0.563 2.669 ( 1.202 0.000 -0.819) 1.454 2.772 ( 4.935 0.000 2.191) 5.399 2.822 ( -0.033 0.000 -1.247) 1.247 3.055 ( 3.154 0.000 -1.296) 3.410 3.284 ( -2.624 0.000 -1.237) 2.901 3.432 ( -0.524 0.000 1.198) 1.307 3.632 ( 0.797 0.000 0.872) 1.182 3.660 ( 1.923 0.000 -0.364) 1.957 3.751 ( 1.391 0.000 -2.919) 3.234 3.889 ( 2.187 0.000 0.977) 2.395 3.891 ( -5.845 0.000 3.672) 6.903 4.035 ( -2.479 0.000 -3.244) 4.083 4.354 ( 0.322 0.000 -1.205) 1.248 4.422 ( -2.169 0.000 -0.453) 2.216 4.507 ( 1.009 0.000 2.450) 2.649 4.672 ( 1.789 0.000 5.795) 6.065 4.739 ( 1.356 0.000 0.541) 1.460 4.744 ( -0.007 0.000 -2.838) 2.838 4.809 ( -3.443 0.000 -3.578) 4.966 4.931 ( -0.172 0.000 0.328) 0.371 5.124 ( -0.834 0.000 -1.285) 1.532 5.265 ( 1.687 0.000 4.650) 4.947 5.332 ( -4.055 0.000 -4.238) 5.866 5.513 ( 0.204 0.000 1.058) 1.077 5.825 ( 1.705 0.000 1.653) 2.375 5.923 ( 2.514 0.000 0.046) 2.514 6.225 ( 2.635 0.000 -0.312) 2.654 6.307 ( 1.316 0.000 -2.131) 2.504 7.225 ( -0.429 0.000 1.209) 1.283 7.404 ( 2.121 0.000 4.794) 5.242 7.466 ( 0.184 0.000 -1.136) 1.151 7.521 ( -4.876 0.000 -8.238) 9.573 7.841 ( -1.158 0.000 1.049) 1.562 8.168 ( 1.655 0.000 3.608) 3.969 8.650 ( -0.175 0.000 -3.226) 3.231 8.710 ( -0.932 0.000 3.221) 3.353 10.103 ( 0.070 0.000 0.482) 0.487 10.105 ( -0.479 0.000 -0.394) 0.620 10.170 ( -0.189 0.000 -0.220) 0.290 10.174 ( 0.126 0.000 0.157) 0.201 13.646 ( 1.312 0.000 -2.542) 2.860 13.701 ( -1.914 0.000 2.884) 3.461 13.702 ( -0.062 0.000 0.151) 0.163 13.961 ( -0.268 0.000 -0.378) 0.463 14.631 ( -0.220 0.000 0.788) 0.819 14.717 ( 0.482 0.000 -5.568) 5.589 14.750 ( -0.702 0.000 2.819) 2.905 15.233 ( -1.215 0.000 1.225) 1.725 15.297 ( 1.493 0.000 -0.677) 1.639 15.349 ( -0.857 0.000 -0.174) 0.875 15.902 ( -1.817 0.000 -1.915) 2.640 16.038 ( 0.035 0.000 2.880) 2.880 ======================= Grid point 7 (5/60) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.274 ( 0.000 14.740 0.000) 14.740 0.298 ( 0.000 14.302 0.000) 14.302 0.313 ( 0.000 14.102 0.000) 14.102 0.759 ( 0.000 11.098 0.000) 11.098 1.176 ( 0.000 -0.966 0.000) 0.966 1.279 ( 0.000 -1.793 0.000) 1.793 1.329 ( 0.000 0.010 0.000) 0.010 1.396 ( 0.000 2.733 0.000) 2.733 1.603 ( 0.000 0.263 0.000) 0.263 1.640 ( 0.000 1.174 0.000) 1.174 1.799 ( 0.000 -4.330 0.000) 4.330 1.799 ( 0.000 -3.589 0.000) 3.589 1.949 ( 0.000 -0.419 0.000) 0.419 1.999 ( 0.000 -1.897 0.000) 1.897 2.063 ( 0.000 -1.077 0.000) 1.077 2.075 ( 0.000 1.663 0.000) 1.663 2.137 ( 0.000 3.442 0.000) 3.442 2.191 ( 0.000 0.940 0.000) 0.940 2.384 ( 0.000 -2.069 0.000) 2.069 2.435 ( 0.000 -0.748 0.000) 0.748 2.618 ( 0.000 0.289 0.000) 0.289 2.657 ( 0.000 -2.412 0.000) 2.412 2.780 ( 0.000 1.843 0.000) 1.843 2.846 ( 0.000 -0.486 0.000) 0.486 3.497 ( 0.000 -0.774 0.000) 0.774 3.511 ( 0.000 0.419 0.000) 0.419 3.516 ( 0.000 -1.683 0.000) 1.683 3.606 ( 0.000 0.992 0.000) 0.992 3.625 ( 0.000 -0.448 0.000) 0.448 3.814 ( 0.000 -0.921 0.000) 0.921 4.189 ( 0.000 1.092 0.000) 1.092 4.227 ( 0.000 0.566 0.000) 0.566 4.356 ( 0.000 0.476 0.000) 0.476 4.468 ( 0.000 2.975 0.000) 2.975 4.476 ( 0.000 -0.320 0.000) 0.320 4.735 ( 0.000 -0.088 0.000) 0.088 4.736 ( 0.000 -1.946 0.000) 1.946 4.924 ( 0.000 -0.624 0.000) 0.624 4.948 ( 0.000 3.087 0.000) 3.087 5.109 ( 0.000 -1.810 0.000) 1.810 5.223 ( 0.000 0.898 0.000) 0.898 5.250 ( 0.000 0.428 0.000) 0.428 5.370 ( 0.000 -1.362 0.000) 1.362 5.495 ( 0.000 -1.908 0.000) 1.908 5.687 ( 0.000 -0.296 0.000) 0.296 5.881 ( 0.000 -0.681 0.000) 0.681 5.889 ( 0.000 -0.724 0.000) 0.724 5.990 ( 0.000 -3.097 0.000) 3.097 7.032 ( 0.000 0.658 0.000) 0.658 7.365 ( 0.000 -1.434 0.000) 1.434 7.371 ( 0.000 -0.327 0.000) 0.327 7.436 ( 0.000 -1.358 0.000) 1.358 7.846 ( 0.000 -2.539 0.000) 2.539 7.924 ( 0.000 -0.751 0.000) 0.751 8.073 ( 0.000 6.275 0.000) 6.275 8.823 ( 0.000 -4.729 0.000) 4.729 10.130 ( 0.000 -0.254 0.000) 0.254 10.147 ( 0.000 -0.114 0.000) 0.114 10.165 ( 0.000 -0.095 0.000) 0.095 10.166 ( 0.000 0.394 0.000) 0.394 13.722 ( 0.000 2.031 0.000) 2.031 13.750 ( 0.000 1.983 0.000) 1.983 13.834 ( 0.000 2.264 0.000) 2.264 14.403 ( 0.000 -5.140 0.000) 5.140 14.511 ( 0.000 3.745 0.000) 3.745 14.751 ( 0.000 0.783 0.000) 0.783 14.773 ( 0.000 1.279 0.000) 1.279 15.107 ( 0.000 -1.138 0.000) 1.138 15.302 ( 0.000 0.068 0.000) 0.068 15.456 ( 0.000 -1.515 0.000) 1.515 15.614 ( 0.000 0.228 0.000) 0.228 16.043 ( 0.000 -5.287 0.000) 5.287 ======================= Grid point 8 (6/60) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.362 ( 10.670 7.911 5.271) 14.291 0.474 ( 13.777 8.871 -2.113) 16.522 0.744 ( 14.746 6.582 1.265) 16.198 0.891 ( 20.871 7.277 -1.427) 22.149 1.240 ( 3.331 -1.842 3.200) 4.973 1.337 ( 6.038 0.573 -1.714) 6.303 1.363 ( 3.547 -0.347 -1.203) 3.761 1.414 ( 1.527 1.959 -1.343) 2.823 1.561 ( -2.593 -0.062 3.621) 4.454 1.713 ( 1.797 -1.893 -0.181) 2.616 1.789 ( 1.120 -1.927 1.433) 2.650 1.827 ( 2.286 -0.774 -2.314) 3.344 1.870 ( -2.602 1.999 -1.577) 3.640 2.039 ( 1.085 -2.631 -0.262) 2.858 2.072 ( 2.093 1.763 5.140) 5.823 2.104 ( -3.185 0.970 -2.473) 4.147 2.148 ( 3.333 0.388 -4.520) 5.629 2.206 ( 4.437 0.608 -3.000) 5.391 2.348 ( -2.253 -1.223 2.986) 3.935 2.447 ( 2.180 -0.439 2.605) 3.425 2.596 ( -1.258 -0.122 3.161) 3.404 2.667 ( -0.981 -1.807 -4.528) 4.973 2.781 ( 1.060 0.261 -0.866) 1.394 2.868 ( 2.445 -0.157 0.283) 2.466 3.468 ( -3.540 -0.576 -0.172) 3.591 3.483 ( -2.038 -0.514 2.721) 3.438 3.547 ( 1.674 -0.555 0.377) 1.804 3.564 ( 0.905 0.396 -1.883) 2.126 3.720 ( 4.920 -0.409 -0.066) 4.937 3.805 ( -0.901 -0.012 -0.632) 1.101 4.123 ( -4.042 1.424 1.712) 4.615 4.199 ( -2.127 1.831 -4.442) 5.254 4.348 ( -0.343 0.549 -2.692) 2.768 4.449 ( 0.229 -0.260 0.695) 0.777 4.527 ( 1.378 1.610 3.894) 4.434 4.680 ( -3.760 0.089 -0.766) 3.838 4.746 ( 0.131 -0.972 -0.496) 1.099 4.834 ( -7.696 2.482 7.699) 11.165 4.919 ( -0.548 -1.141 -1.217) 1.756 5.050 ( -5.121 0.967 -10.019) 11.293 5.182 ( -1.141 1.795 -0.459) 2.176 5.242 ( -0.240 0.315 0.103) 0.408 5.438 ( 2.258 -3.082 1.586) 4.137 5.499 ( -0.479 -1.929 -0.150) 1.993 5.709 ( 2.627 2.598 2.822) 4.649 5.747 ( 1.224 3.395 1.376) 3.862 5.968 ( 6.114 -1.834 2.324) 6.793 6.094 ( 6.674 -2.204 -4.641) 8.422 7.255 ( 1.168 -2.723 2.714) 4.018 7.376 ( 0.418 -0.226 1.125) 1.221 7.400 ( 2.471 -0.388 -2.906) 3.834 7.676 ( 5.576 -8.952 -16.940) 19.955 7.896 ( -1.209 -1.834 3.023) 3.736 7.980 ( 8.151 -6.646 0.132) 10.518 8.198 ( 14.278 -9.753 19.007) 25.696 8.785 ( -3.354 -4.380 -0.124) 5.518 10.117 ( -0.924 -0.181 0.266) 0.979 10.142 ( -0.490 -0.162 -0.323) 0.609 10.160 ( -0.249 0.228 0.040) 0.340 10.170 ( 0.231 -0.139 -0.018) 0.270 13.709 ( -2.826 2.786 -0.630) 4.018 13.724 ( -0.139 1.641 1.364) 2.139 13.845 ( -0.437 4.989 2.418) 5.562 14.070 ( -9.557 7.041 -3.922) 12.501 14.618 ( -0.727 -1.536 -5.158) 5.431 14.720 ( 1.447 -2.514 -3.006) 4.177 14.842 ( -0.635 5.291 -9.108) 10.553 14.969 ( 4.913 1.190 -2.702) 5.732 15.424 ( -2.516 -1.516 1.584) 3.337 15.542 ( -5.423 0.457 -0.832) 5.505 15.744 ( 13.426 -14.191 20.158) 28.071 16.003 ( -3.375 -5.088 -2.613) 6.641 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 13.450 3.628 3.165) 14.286 0.781 ( 14.364 4.267 0.214) 14.986 0.927 ( 8.832 5.175 -0.874) 10.274 1.266 ( 3.295 -2.532 0.589) 4.197 1.325 ( 0.893 0.463 -0.236) 1.033 1.436 ( 4.035 -0.721 -1.675) 4.428 1.466 ( 12.706 0.666 1.437) 12.804 1.474 ( 1.911 2.218 -0.990) 3.091 1.559 ( -0.168 -0.244 5.407) 5.415 1.683 ( -2.271 -2.127 -3.418) 4.622 1.761 ( 2.199 2.300 0.210) 3.189 1.882 ( 2.178 -0.584 -5.613) 6.049 1.923 ( 2.312 0.429 0.391) 2.384 1.955 ( -6.280 1.638 0.470) 6.507 2.031 ( -0.932 -2.338 0.097) 2.519 2.133 ( -1.690 0.116 2.044) 2.654 2.248 ( 6.913 -0.910 3.363) 7.742 2.286 ( 3.206 -0.109 -6.822) 7.538 2.383 ( 4.610 2.224 3.288) 6.084 2.533 ( 1.892 0.172 1.645) 2.513 2.607 ( 3.550 -1.039 2.422) 4.421 2.637 ( 1.916 -1.325 -3.210) 3.966 2.804 ( 0.823 -0.510 -0.181) 0.985 2.948 ( 4.957 -0.797 -1.420) 5.218 3.372 ( -4.800 0.129 -1.546) 5.044 3.444 ( -1.870 -0.813 2.188) 2.991 3.593 ( 2.247 -0.373 2.585) 3.445 3.609 ( 3.079 0.294 -0.938) 3.232 3.777 ( -0.983 1.343 -2.696) 3.168 3.814 ( 3.568 -0.504 0.159) 3.607 4.034 ( -5.143 1.141 2.104) 5.673 4.127 ( -4.135 1.738 -3.185) 5.502 4.346 ( 0.418 0.102 -2.823) 2.855 4.458 ( -0.634 -1.461 1.845) 2.437 4.510 ( -1.912 1.362 1.487) 2.779 4.643 ( -0.015 0.718 5.326) 5.374 4.731 ( -1.114 1.594 1.622) 2.532 4.747 ( -0.888 -1.541 -0.317) 1.806 4.891 ( -2.426 -0.764 -4.530) 5.195 4.946 ( -2.973 0.640 -1.472) 3.378 5.168 ( -0.738 1.625 -2.281) 2.896 5.244 ( 0.321 0.471 2.729) 2.788 5.404 ( -3.877 -2.635 -2.446) 5.288 5.510 ( 1.029 0.544 1.533) 1.925 5.788 ( 3.558 2.791 4.154) 6.140 5.842 ( 5.625 0.823 0.536) 5.710 6.102 ( 6.096 -2.291 -0.369) 6.523 6.220 ( 5.195 -2.586 -4.336) 7.244 7.247 ( -1.045 0.316 2.826) 3.030 7.383 ( 0.450 0.759 2.064) 2.245 7.455 ( 2.357 0.232 -1.822) 2.988 7.628 ( -4.773 -2.274 -12.291) 13.380 7.873 ( -1.392 -0.512 2.577) 2.974 8.075 ( 3.087 -2.475 3.897) 5.554 8.461 ( 7.607 -13.025 6.075) 16.261 8.704 ( -3.990 -4.727 -0.231) 6.190 10.102 ( -0.470 -0.171 0.570) 0.759 10.123 ( -1.057 -0.004 -0.713) 1.275 10.162 ( 0.307 -0.270 0.331) 0.526 10.172 ( -0.121 -0.264 -0.186) 0.345 13.661 ( -1.380 2.358 -1.757) 3.248 13.716 ( -0.698 1.351 1.486) 2.127 13.816 ( -1.825 6.005 1.704) 6.503 13.995 ( -0.588 2.292 -1.526) 2.815 14.584 ( -1.387 -2.248 -0.592) 2.706 14.736 ( 0.192 -1.721 -4.783) 5.087 14.817 ( -0.236 5.488 -1.801) 5.781 15.124 ( 7.414 -1.469 2.003) 7.819 15.361 ( -3.805 -0.406 0.684) 3.887 15.410 ( -5.372 1.389 -2.402) 6.047 15.904 ( 0.482 -7.181 2.694) 7.685 15.929 ( -0.768 -6.604 2.944) 7.271 ======================= Grid point 10 (8/60) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 11.230 2.336 1.493) 11.567 0.975 ( 4.306 2.194 -0.136) 4.834 1.143 ( 7.726 0.899 -0.035) 7.778 1.220 ( -5.117 0.551 -0.223) 5.151 1.317 ( 1.476 -1.644 0.433) 2.251 1.453 ( -0.386 0.422 2.155) 2.230 1.483 ( -2.919 0.936 -0.148) 3.069 1.491 ( -0.536 2.710 0.049) 2.762 1.594 ( -4.101 0.345 -2.114) 4.627 1.696 ( 2.713 -0.958 -0.876) 3.007 1.829 ( 0.403 -1.161 -1.338) 1.817 1.869 ( 1.675 -1.744 0.632) 2.499 1.944 ( 3.857 0.898 -1.998) 4.435 1.998 ( 1.825 -1.848 -0.933) 2.760 2.020 ( -0.701 -1.012 0.608) 1.373 2.086 ( -0.961 -2.625 2.796) 3.954 2.265 ( -1.855 3.355 -2.294) 4.467 2.362 ( 1.471 3.365 2.687) 4.551 2.496 ( 4.086 -0.004 0.297) 4.097 2.541 ( 0.944 0.901 0.146) 1.314 2.649 ( 1.309 -1.666 -0.553) 2.189 2.763 ( 4.632 -1.229 0.554) 4.824 2.818 ( 0.588 0.081 -0.128) 0.608 3.038 ( 2.890 -1.540 -0.937) 3.406 3.289 ( -2.502 0.518 -1.073) 2.772 3.418 ( -0.736 -1.135 0.984) 1.673 3.630 ( 0.906 -0.130 1.840) 2.055 3.673 ( 2.588 0.835 -0.577) 2.780 3.768 ( 0.884 1.403 -2.810) 3.263 3.842 ( -2.231 -1.380 1.143) 2.862 3.959 ( -0.261 3.092 2.704) 4.116 4.038 ( -3.614 0.726 -2.756) 4.603 4.352 ( 0.238 -0.217 -1.231) 1.273 4.410 ( -2.031 -0.963 -0.591) 2.324 4.518 ( 0.998 0.916 2.150) 2.541 4.669 ( 1.165 -0.458 5.774) 5.908 4.724 ( 0.305 -1.030 -3.143) 3.321 4.746 ( -0.005 -0.022 -0.293) 0.294 4.827 ( -2.127 1.327 -2.403) 3.473 4.916 ( -0.598 -1.190 0.521) 1.430 5.147 ( -0.749 1.797 -1.141) 2.257 5.266 ( 1.494 0.077 4.181) 4.440 5.323 ( -3.182 -0.364 -4.136) 5.231 5.522 ( 0.066 0.479 1.026) 1.134 5.846 ( 1.524 1.918 1.397) 2.820 5.934 ( 2.626 1.044 0.183) 2.832 6.194 ( 2.450 -2.648 -0.447) 3.635 6.284 ( 1.546 -2.211 -1.600) 3.137 7.235 ( -0.324 1.072 1.260) 1.686 7.411 ( 2.041 0.604 4.183) 4.694 7.475 ( -0.840 0.470 -2.198) 2.399 7.519 ( -3.166 -0.040 -6.525) 7.253 7.849 ( -0.827 0.717 1.045) 1.513 8.126 ( 1.233 -3.697 2.866) 4.838 8.567 ( 3.309 -7.371 -0.725) 8.112 8.633 ( -2.875 -6.188 1.063) 6.906 10.099 ( 0.021 -0.286 0.384) 0.479 10.105 ( -0.514 -0.011 -0.347) 0.620 10.166 ( -0.133 -0.329 -0.151) 0.386 10.169 ( 0.092 -0.344 0.122) 0.376 13.647 ( -0.032 0.854 -1.414) 1.652 13.703 ( -0.513 0.973 1.113) 1.565 13.788 ( -0.859 5.801 0.679) 5.904 13.989 ( -0.149 2.184 -0.180) 2.196 14.565 ( -0.444 -2.788 -0.001) 2.823 14.729 ( -0.143 -1.585 -2.198) 2.714 14.817 ( 0.072 5.770 0.536) 5.795 15.224 ( 1.007 -1.352 1.733) 2.418 15.293 ( -0.657 0.338 -1.159) 1.375 15.353 ( -0.979 0.405 -0.409) 1.136 15.852 ( -1.673 -4.371 -1.673) 4.970 15.963 ( 0.794 -6.496 2.593) 7.039 ======================= Grid point 14 (9/60) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( 0.000 11.840 0.000) 11.840 0.599 ( 0.000 14.596 0.000) 14.596 0.617 ( 0.000 14.749 0.000) 14.749 1.014 ( 0.000 11.738 0.000) 11.738 1.136 ( 0.000 -2.777 0.000) 2.777 1.242 ( 0.000 -1.921 0.000) 1.921 1.317 ( 0.000 -1.651 0.000) 1.651 1.445 ( 0.000 1.542 0.000) 1.542 1.587 ( 0.000 -3.245 0.000) 3.245 1.633 ( 0.000 -4.230 0.000) 4.230 1.702 ( 0.000 -1.902 0.000) 1.902 1.735 ( 0.000 0.078 0.000) 0.078 1.937 ( 0.000 -3.699 0.000) 3.699 1.960 ( 0.000 -0.310 0.000) 0.310 2.045 ( 0.000 0.613 0.000) 0.613 2.128 ( 0.000 2.742 0.000) 2.742 2.208 ( 0.000 2.996 0.000) 2.996 2.218 ( 0.000 1.507 0.000) 1.507 2.329 ( 0.000 -2.710 0.000) 2.710 2.400 ( 0.000 -2.496 0.000) 2.496 2.623 ( 0.000 0.060 0.000) 0.060 2.623 ( 0.000 -0.732 0.000) 0.732 2.804 ( 0.000 0.514 0.000) 0.514 2.834 ( 0.000 -0.632 0.000) 0.632 3.472 ( 0.000 -1.389 0.000) 1.389 3.475 ( 0.000 -1.931 0.000) 1.931 3.526 ( 0.000 1.035 0.000) 1.035 3.609 ( 0.000 -1.018 0.000) 1.018 3.641 ( 0.000 2.227 0.000) 2.227 3.788 ( 0.000 -1.495 0.000) 1.495 4.216 ( 0.000 1.359 0.000) 1.359 4.246 ( 0.000 0.972 0.000) 0.972 4.372 ( 0.000 0.999 0.000) 0.999 4.463 ( 0.000 -0.914 0.000) 0.914 4.536 ( 0.000 2.965 0.000) 2.965 4.688 ( 0.000 -2.314 0.000) 2.314 4.746 ( 0.000 1.120 0.000) 1.120 4.879 ( 0.000 -3.359 0.000) 3.359 5.022 ( 0.000 3.436 0.000) 3.436 5.089 ( 0.000 0.223 0.000) 0.223 5.249 ( 0.000 1.447 0.000) 1.447 5.264 ( 0.000 1.044 0.000) 1.044 5.333 ( 0.000 -1.941 0.000) 1.941 5.444 ( 0.000 -2.763 0.000) 2.763 5.689 ( 0.000 0.638 0.000) 0.638 5.856 ( 0.000 -1.736 0.000) 1.736 5.867 ( 0.000 -1.198 0.000) 1.198 5.910 ( 0.000 -3.844 0.000) 3.844 7.059 ( 0.000 2.030 0.000) 2.030 7.309 ( 0.000 -3.780 0.000) 3.780 7.367 ( 0.000 0.048 0.000) 0.048 7.408 ( 0.000 -1.069 0.000) 1.069 7.825 ( 0.000 0.286 0.000) 0.286 7.902 ( 0.000 -1.245 0.000) 1.245 8.206 ( 0.000 6.257 0.000) 6.257 8.687 ( 0.000 -7.603 0.000) 7.603 10.128 ( 0.000 0.048 0.000) 0.048 10.143 ( 0.000 -0.261 0.000) 0.261 10.163 ( 0.000 -0.012 0.000) 0.012 10.171 ( 0.000 0.019 0.000) 0.019 13.777 ( 0.000 2.793 0.000) 2.793 13.798 ( 0.000 2.237 0.000) 2.237 13.897 ( 0.000 3.657 0.000) 3.657 14.269 ( 0.000 -6.888 0.000) 6.888 14.611 ( 0.000 4.980 0.000) 4.980 14.760 ( 0.000 -0.101 0.000) 0.101 14.815 ( 0.000 2.726 0.000) 2.726 15.067 ( 0.000 -2.686 0.000) 2.686 15.308 ( 0.000 0.514 0.000) 0.514 15.414 ( 0.000 -2.300 0.000) 2.300 15.628 ( 0.000 1.236 0.000) 1.236 15.905 ( 0.000 -6.991 0.000) 6.991 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.14 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 4.389 12.194 4.138) 13.604 0.704 ( 8.205 11.657 -3.265) 14.624 0.904 ( 15.566 7.716 0.112) 17.374 1.065 ( 7.173 7.379 -1.913) 10.467 1.209 ( 5.408 -0.244 4.245) 6.879 1.337 ( 7.173 -1.725 -4.025) 8.404 1.350 ( 5.193 -0.587 -0.143) 5.228 1.441 ( -0.729 -0.121 -1.883) 2.023 1.538 ( -1.201 -2.172 2.432) 3.475 1.665 ( -1.557 -1.866 1.494) 2.853 1.709 ( 3.201 -3.521 -2.819) 5.531 1.836 ( 5.476 -0.048 1.423) 5.659 1.915 ( -0.513 1.620 1.962) 2.596 1.987 ( 2.091 -1.378 -0.578) 2.570 2.114 ( -2.599 1.649 2.254) 3.815 2.128 ( 3.848 1.125 -1.498) 4.280 2.157 ( 0.789 0.373 -3.257) 3.372 2.204 ( -0.361 -0.256 -2.568) 2.605 2.324 ( 0.338 -0.700 2.496) 2.615 2.431 ( 2.810 -1.203 1.142) 3.263 2.587 ( -0.578 -0.603 -0.340) 0.902 2.634 ( -1.866 -1.296 -2.096) 3.091 2.792 ( 0.238 0.819 0.353) 0.923 2.862 ( 2.121 -0.506 0.741) 2.303 3.452 ( -2.429 -0.884 -0.050) 2.586 3.461 ( -1.778 -1.342 1.432) 2.648 3.540 ( 1.401 0.055 1.885) 2.349 3.570 ( -0.012 0.010 -1.100) 1.100 3.721 ( 4.585 0.650 -0.308) 4.641 3.799 ( 0.798 -0.642 -0.756) 1.273 4.165 ( -3.919 2.316 0.711) 4.607 4.232 ( -1.702 1.145 -1.773) 2.711 4.364 ( -0.599 0.880 -1.051) 1.496 4.437 ( -1.037 -0.789 -0.542) 1.411 4.564 ( 0.606 1.710 2.290) 2.921 4.697 ( -0.587 -0.425 0.942) 1.188 4.710 ( -1.411 -0.277 -2.805) 3.152 4.831 ( -4.756 -2.407 1.331) 5.494 4.934 ( -4.534 2.487 4.492) 6.850 5.061 ( -4.477 -0.111 -4.916) 6.650 5.225 ( -1.126 1.937 -0.729) 2.356 5.264 ( 0.463 1.939 0.010) 1.994 5.368 ( 0.724 -3.032 1.753) 3.577 5.458 ( 1.891 -2.213 -0.001) 2.911 5.740 ( 4.936 1.496 1.063) 5.266 5.822 ( 0.767 2.707 1.649) 3.261 5.922 ( 5.362 -2.231 -0.090) 5.808 6.021 ( 6.296 -4.340 -3.155) 8.272 7.202 ( 6.222 -1.486 1.681) 6.614 7.348 ( 3.517 -2.569 0.490) 4.383 7.398 ( 1.773 0.114 -3.177) 3.640 7.488 ( 8.070 -6.002 -4.194) 10.897 7.845 ( 1.539 -1.283 2.538) 3.234 7.894 ( 1.080 -1.605 -1.162) 2.256 8.213 ( 0.672 4.224 6.829) 8.058 8.648 ( -3.435 -7.719 -1.216) 8.536 10.117 ( -0.855 0.128 0.153) 0.878 10.137 ( -0.542 -0.289 -0.123) 0.626 10.163 ( -0.165 0.003 -0.020) 0.167 10.168 ( -0.179 -0.090 -0.002) 0.201 13.765 ( -2.052 2.508 -0.589) 3.294 13.774 ( -0.842 2.434 0.936) 2.740 13.932 ( 1.989 3.775 1.353) 4.477 14.151 ( -7.933 0.278 0.075) 7.938 14.624 ( -0.991 1.613 -4.364) 4.757 14.679 ( -1.433 -0.922 -1.035) 1.994 14.921 ( 3.556 2.306 -2.189) 4.770 14.989 ( -0.053 0.509 -4.428) 4.458 15.393 ( -0.847 -1.118 3.706) 3.962 15.517 ( 10.138 -5.545 9.292) 14.827 15.574 ( -4.092 0.372 -1.078) 4.248 15.866 ( -3.259 -7.054 -2.253) 8.091 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 9.515 7.442 2.454) 12.326 0.901 ( 9.796 6.212 -0.937) 11.637 1.059 ( 4.989 6.601 -0.427) 8.285 1.218 ( 4.646 -1.820 -0.142) 4.992 1.338 ( -3.334 0.252 -0.051) 3.344 1.415 ( 6.187 -0.802 -3.240) 7.030 1.475 ( 7.716 -0.898 -1.666) 7.944 1.520 ( 4.690 1.923 0.224) 5.074 1.548 ( 0.055 -0.069 2.072) 2.074 1.658 ( 0.778 0.521 -0.601) 1.112 1.771 ( 3.235 -2.059 2.590) 4.627 1.855 ( 1.316 -2.210 -1.501) 2.978 1.927 ( 0.413 0.413 -1.198) 1.333 1.987 ( -3.524 1.108 0.177) 3.698 2.008 ( -4.893 0.231 0.757) 4.956 2.118 ( -4.525 -1.305 1.054) 4.826 2.266 ( 10.444 2.200 1.688) 10.806 2.304 ( 5.958 1.938 -4.167) 7.525 2.415 ( 5.719 0.819 1.792) 6.049 2.521 ( 4.513 -1.441 1.298) 4.912 2.584 ( -0.409 -1.165 0.392) 1.296 2.594 ( 2.269 -2.336 -3.517) 4.793 2.810 ( 1.132 1.231 1.148) 2.028 2.925 ( 3.728 -1.348 -0.017) 3.964 3.375 ( -4.097 0.176 -0.923) 4.203 3.421 ( -2.014 -1.241 1.310) 2.705 3.585 ( 2.397 -0.261 3.419) 4.183 3.608 ( 3.077 -0.444 0.300) 3.123 3.802 ( 1.876 0.755 -2.544) 3.250 3.810 ( 1.347 0.257 -0.640) 1.513 4.078 ( -4.318 2.811 0.163) 5.155 4.166 ( -4.369 1.525 -1.106) 4.758 4.352 ( -0.238 0.437 -2.422) 2.472 4.423 ( -1.061 -1.684 0.404) 2.031 4.541 ( -1.696 1.513 1.112) 2.531 4.664 ( -2.111 0.242 4.421) 4.905 4.702 ( -0.030 -1.359 -1.071) 1.731 4.755 ( -1.244 0.263 -0.060) 1.273 4.881 ( -1.622 0.047 -0.897) 1.854 4.948 ( -4.703 -0.560 -0.340) 4.749 5.207 ( -0.808 1.852 -1.510) 2.523 5.271 ( -0.316 1.616 3.093) 3.504 5.354 ( -0.888 -1.280 -2.795) 3.200 5.505 ( 1.658 -1.183 0.983) 2.262 5.855 ( 3.851 2.994 1.705) 5.167 5.875 ( 4.628 2.569 1.108) 5.408 6.043 ( 5.589 -2.998 -0.762) 6.388 6.141 ( 5.201 -4.497 -2.199) 7.218 7.263 ( 0.961 1.306 2.555) 3.026 7.400 ( 1.176 0.603 1.071) 1.701 7.455 ( 3.594 -0.301 -1.624) 3.955 7.552 ( -1.370 -4.645 -8.951) 10.177 7.860 ( 0.465 -0.435 2.012) 2.110 7.985 ( 4.318 -5.053 0.192) 6.649 8.277 ( 4.869 -3.196 7.297) 9.336 8.560 ( -4.423 -7.932 -1.478) 9.201 10.101 ( -0.577 0.097 0.325) 0.669 10.121 ( -0.936 -0.230 -0.370) 1.032 10.159 ( -0.069 -0.092 0.150) 0.189 10.164 ( -0.227 -0.339 -0.109) 0.422 13.716 ( -2.195 2.572 -1.223) 3.596 13.753 ( -1.363 1.744 1.043) 2.447 13.943 ( -1.215 5.220 1.837) 5.666 14.046 ( -1.840 1.963 -0.817) 2.811 14.571 ( -2.079 0.865 -0.578) 2.325 14.688 ( 0.507 -2.462 -3.227) 4.090 14.922 ( 0.139 4.127 -1.554) 4.412 15.087 ( 5.440 -1.866 1.474) 5.937 15.368 ( -1.647 1.184 1.838) 2.738 15.445 ( -5.687 1.951 -3.284) 6.851 15.710 ( 5.844 -8.866 6.383) 12.389 15.789 ( -3.365 -6.991 -2.414) 8.126 ======================= Grid point 17 (12/60) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 10.157 3.805 1.343) 10.929 1.031 ( 2.755 2.755 -0.127) 3.898 1.166 ( -0.111 1.076 -0.734) 1.307 1.222 ( -2.127 -0.643 1.645) 2.765 1.321 ( 3.827 2.158 -1.569) 4.665 1.450 ( -1.891 0.280 -0.812) 2.077 1.510 ( 0.036 1.529 -0.077) 1.532 1.566 ( -0.466 -1.092 -2.238) 2.533 1.570 ( 1.140 1.886 -0.074) 2.205 1.712 ( 2.743 2.094 1.028) 3.600 1.778 ( -0.675 -3.292 1.934) 3.878 1.861 ( -3.828 0.822 -0.783) 3.993 1.931 ( 2.455 -2.173 -0.993) 3.426 1.955 ( 0.865 -1.840 -1.955) 2.821 1.996 ( -0.042 -0.938 0.593) 1.111 2.031 ( -2.456 -2.389 2.568) 4.282 2.361 ( 0.976 5.016 -1.976) 5.479 2.441 ( 4.070 3.716 1.426) 5.693 2.502 ( 2.639 0.709 1.103) 2.947 2.550 ( 1.093 -0.142 -0.227) 1.125 2.606 ( 1.165 -2.215 -0.452) 2.543 2.714 ( 4.762 -3.154 -0.912) 5.784 2.837 ( 1.078 1.619 0.862) 2.127 2.992 ( 2.126 -2.567 -0.148) 3.337 3.306 ( -2.073 1.000 -0.704) 2.407 3.390 ( -0.883 -1.368 0.589) 1.732 3.631 ( 1.244 0.269 2.412) 2.728 3.680 ( 3.174 -0.352 0.395) 3.218 3.799 ( 0.059 1.233 -2.280) 2.593 3.827 ( -1.428 -0.210 -0.248) 1.464 4.022 ( -0.119 2.953 0.638) 3.024 4.071 ( -4.056 1.922 -1.010) 4.600 4.347 ( -0.077 -0.209 -1.358) 1.377 4.385 ( -1.669 -1.342 -0.608) 2.226 4.541 ( 0.786 1.118 1.741) 2.214 4.643 ( -0.324 -1.969 3.628) 4.141 4.708 ( 0.591 -0.254 -2.144) 2.239 4.743 ( -0.643 -0.289 -0.328) 0.777 4.851 ( -0.975 0.715 -1.096) 1.632 4.889 ( -1.173 -1.154 0.785) 1.823 5.189 ( -0.600 1.987 -0.627) 2.168 5.261 ( -0.564 -0.556 2.089) 2.234 5.343 ( 0.001 2.357 -2.300) 3.294 5.519 ( -0.045 -0.928 0.694) 1.160 5.903 ( 1.240 3.252 0.717) 3.554 5.968 ( 2.747 2.105 0.385) 3.482 6.126 ( 2.218 -3.411 -0.416) 4.090 6.213 ( 1.803 -4.262 -0.753) 4.688 7.274 ( 0.111 2.577 1.151) 2.825 7.424 ( 1.324 0.438 3.065) 3.368 7.473 ( -2.443 -0.500 -5.307) 5.864 7.519 ( 0.785 -0.274 -1.568) 1.775 7.869 ( 0.141 1.122 0.893) 1.441 8.029 ( 0.593 -4.751 1.008) 4.893 8.390 ( 4.640 -7.535 1.355) 8.952 8.478 ( -3.456 -7.723 -0.276) 8.465 10.095 ( -0.114 -0.085 0.220) 0.262 10.104 ( -0.499 -0.102 -0.214) 0.553 10.158 ( -0.158 -0.335 -0.115) 0.388 10.161 ( 0.037 -0.381 0.105) 0.396 13.682 ( -0.832 2.065 -0.803) 2.367 13.728 ( -0.864 1.074 0.561) 1.489 13.919 ( -0.733 5.837 0.539) 5.907 14.034 ( -0.048 1.641 -0.007) 1.641 14.545 ( -0.587 0.828 0.046) 1.016 14.685 ( -0.212 -2.401 -1.239) 2.710 14.931 ( 0.429 4.716 0.120) 4.737 15.170 ( 2.042 -3.308 1.042) 4.025 15.327 ( -1.790 2.656 -0.495) 3.241 15.371 ( -1.115 1.475 -0.846) 2.033 15.732 ( -1.315 -6.318 -1.126) 6.551 15.793 ( 1.665 -8.545 2.020) 8.937 ======================= Grid point 21 (13/60) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 0.000 7.831 0.000) 7.831 0.847 ( 0.000 6.354 0.000) 6.354 0.915 ( 0.000 12.014 0.000) 12.014 1.057 ( 0.000 -3.354 0.000) 3.354 1.187 ( 0.000 -2.871 0.000) 2.871 1.226 ( 0.000 -5.463 0.000) 5.463 1.257 ( 0.000 9.243 0.000) 9.243 1.434 ( 0.000 -4.651 0.000) 4.651 1.508 ( 0.000 -2.111 0.000) 2.111 1.512 ( 0.000 -3.545 0.000) 3.545 1.725 ( 0.000 2.493 0.000) 2.493 1.763 ( 0.000 0.291 0.000) 0.291 1.872 ( 0.000 -0.912 0.000) 0.912 1.912 ( 0.000 -3.161 0.000) 3.161 2.101 ( 0.000 3.510 0.000) 3.510 2.157 ( 0.000 -0.881 0.000) 0.881 2.252 ( 0.000 1.418 0.000) 1.418 2.255 ( 0.000 1.169 0.000) 1.169 2.293 ( 0.000 0.103 0.000) 0.103 2.337 ( 0.000 -3.103 0.000) 3.103 2.619 ( 0.000 0.093 0.000) 0.093 2.622 ( 0.000 -0.118 0.000) 0.118 2.810 ( 0.000 0.274 0.000) 0.274 2.820 ( 0.000 -0.625 0.000) 0.625 3.444 ( 0.000 -0.719 0.000) 0.719 3.446 ( 0.000 -0.811 0.000) 0.811 3.553 ( 0.000 1.405 0.000) 1.405 3.583 ( 0.000 -1.363 0.000) 1.363 3.696 ( 0.000 2.678 0.000) 2.678 3.749 ( 0.000 -2.182 0.000) 2.182 4.243 ( 0.000 1.028 0.000) 1.028 4.256 ( 0.000 -0.123 0.000) 0.123 4.401 ( 0.000 1.663 0.000) 1.663 4.437 ( 0.000 -1.545 0.000) 1.545 4.591 ( 0.000 2.304 0.000) 2.304 4.640 ( 0.000 -2.265 0.000) 2.265 4.774 ( 0.000 1.372 0.000) 1.372 4.812 ( 0.000 -2.439 0.000) 2.439 5.082 ( 0.000 1.931 0.000) 1.931 5.100 ( 0.000 0.202 0.000) 0.202 5.271 ( 0.000 0.808 0.000) 0.808 5.294 ( 0.000 -1.511 0.000) 1.511 5.310 ( 0.000 3.026 0.000) 3.026 5.379 ( 0.000 -3.221 0.000) 3.221 5.722 ( 0.000 2.526 0.000) 2.526 5.793 ( 0.000 -3.827 0.000) 3.827 5.847 ( 0.000 -0.405 0.000) 0.405 5.855 ( 0.000 -1.182 0.000) 1.182 7.121 ( 0.000 3.776 0.000) 3.776 7.215 ( 0.000 -4.674 0.000) 4.674 7.374 ( 0.000 0.540 0.000) 0.540 7.389 ( 0.000 -0.791 0.000) 0.791 7.844 ( 0.000 1.259 0.000) 1.259 7.873 ( 0.000 -1.396 0.000) 1.396 8.349 ( 0.000 7.188 0.000) 7.188 8.514 ( 0.000 -8.144 0.000) 8.144 10.131 ( 0.000 0.241 0.000) 0.241 10.137 ( 0.000 -0.284 0.000) 0.284 10.164 ( 0.000 0.126 0.000) 0.126 10.168 ( 0.000 -0.208 0.000) 0.208 13.825 ( 0.000 1.423 0.000) 1.423 13.832 ( 0.000 0.731 0.000) 0.731 13.993 ( 0.000 5.302 0.000) 5.302 14.122 ( 0.000 -6.625 0.000) 6.625 14.701 ( 0.000 3.130 0.000) 3.130 14.746 ( 0.000 -1.264 0.000) 1.264 14.893 ( 0.000 4.446 0.000) 4.446 14.991 ( 0.000 -4.322 0.000) 4.322 15.327 ( 0.000 1.343 0.000) 1.343 15.365 ( 0.000 -2.130 0.000) 2.130 15.674 ( 0.000 3.154 0.000) 3.154 15.767 ( 0.000 -5.533 0.000) 5.533 ======================= Grid point 22 (14/60) ======================= q-point: ( 0.14 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 2.118 8.995 3.385) 9.842 0.912 ( 3.530 4.401 0.882) 5.711 1.044 ( 10.518 5.753 -5.057) 13.012 1.138 ( 4.243 0.515 3.348) 5.429 1.258 ( 4.037 -1.595 -6.126) 7.508 1.290 ( 7.966 -1.546 -1.643) 8.280 1.309 ( 7.344 1.693 1.009) 7.604 1.399 ( -0.687 -3.117 -2.865) 4.289 1.521 ( 2.256 0.890 3.263) 4.066 1.579 ( 3.912 -4.419 3.341) 6.782 1.720 ( -0.332 2.741 -0.715) 2.852 1.790 ( 0.117 -3.432 0.722) 3.509 1.952 ( 6.107 1.765 1.062) 6.445 1.977 ( 2.455 -0.450 0.390) 2.526 2.124 ( 4.726 0.335 -2.879) 5.544 2.141 ( 0.990 -0.668 1.131) 1.645 2.177 ( -4.771 1.621 0.516) 5.065 2.202 ( -3.596 -0.427 -1.129) 3.793 2.335 ( 2.851 1.935 -0.037) 3.445 2.390 ( 3.856 -2.598 -0.395) 4.666 2.584 ( -1.625 0.512 -1.033) 1.993 2.606 ( -2.408 -1.321 -1.006) 2.925 2.817 ( 1.071 1.370 0.852) 1.936 2.845 ( 1.770 -1.106 0.867) 2.261 3.435 ( -1.445 -0.472 0.132) 1.525 3.437 ( -1.357 -0.691 0.625) 1.646 3.548 ( 0.330 0.635 1.660) 1.808 3.563 ( -0.308 -0.605 0.488) 0.836 3.746 ( 3.641 1.493 -0.729) 4.002 3.778 ( 2.258 -1.296 -0.871) 2.746 4.213 ( -2.694 1.922 -0.542) 3.353 4.240 ( -1.732 -0.496 -1.097) 2.109 4.387 ( -1.042 1.278 -0.027) 1.649 4.415 ( -1.412 -1.234 -0.379) 1.913 4.601 ( -0.012 1.875 1.044) 2.146 4.648 ( 0.211 -2.481 0.668) 2.578 4.743 ( -2.025 1.698 -2.464) 3.613 4.780 ( -2.274 -2.013 -1.222) 3.274 4.992 ( -6.323 2.671 3.911) 7.901 5.041 ( -5.806 -1.707 0.282) 6.058 5.263 ( -0.652 1.781 0.678) 2.014 5.302 ( -0.762 -1.235 3.339) 3.640 5.335 ( 2.518 2.328 -2.448) 4.213 5.402 ( 2.595 -3.060 -0.566) 4.052 5.787 ( 5.689 3.035 0.439) 6.463 5.855 ( 5.023 -1.665 -1.168) 5.419 5.881 ( 3.709 0.464 1.615) 4.072 5.931 ( 5.322 -3.445 -2.082) 6.672 7.207 ( 6.178 1.892 1.206) 6.573 7.273 ( 5.197 -3.850 0.865) 6.526 7.403 ( 2.181 0.379 -2.640) 3.446 7.419 ( 3.205 -1.389 -2.030) 4.040 7.844 ( 0.265 0.702 0.293) 0.806 7.865 ( -0.035 -1.210 -0.403) 1.276 8.325 ( -2.189 6.210 2.691) 7.113 8.477 ( -3.368 -7.831 0.121) 8.526 10.122 ( -0.747 0.342 0.058) 0.823 10.130 ( -0.623 -0.361 -0.032) 0.721 10.163 ( -0.173 0.032 -0.003) 0.176 10.165 ( -0.290 -0.143 -0.010) 0.323 13.808 ( -1.878 1.265 -0.218) 2.275 13.812 ( -1.315 0.908 0.455) 1.661 14.016 ( 1.439 4.175 0.893) 4.506 14.105 ( -1.751 -3.768 0.591) 4.197 14.662 ( -2.686 1.390 -3.392) 4.545 14.675 ( -3.793 0.040 -1.311) 4.014 14.958 ( 3.783 1.444 -0.623) 4.097 14.985 ( 0.654 -0.893 -2.381) 2.626 15.385 ( 2.018 0.517 4.399) 4.867 15.421 ( 5.975 -3.008 5.576) 8.708 15.621 ( -4.487 3.541 -2.162) 6.111 15.723 ( -3.664 -5.903 -2.010) 7.233 ======================= Grid point 23 (15/60) ======================= q-point: ( 0.29 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 5.236 6.829 2.740) 9.031 0.993 ( 4.182 0.493 1.529) 4.480 1.185 ( 1.089 4.378 -0.643) 4.557 1.205 ( 5.170 1.064 -2.569) 5.870 1.322 ( 0.163 -1.196 -2.026) 2.358 1.356 ( 4.988 -4.251 -5.203) 8.368 1.485 ( 6.389 2.008 -1.995) 6.988 1.526 ( 5.141 -1.367 -0.782) 5.376 1.586 ( 2.389 3.427 3.449) 5.417 1.671 ( 3.064 -3.297 4.157) 6.127 1.722 ( 1.478 1.961 -0.330) 2.478 1.794 ( 2.725 -3.432 -0.996) 4.494 1.951 ( -1.739 1.427 0.017) 2.250 1.979 ( -1.834 -1.113 0.867) 2.314 2.041 ( -6.669 2.064 1.253) 7.093 2.084 ( -6.015 -1.846 1.110) 6.389 2.322 ( 12.544 2.642 -0.056) 12.820 2.349 ( 10.156 1.006 -1.391) 10.300 2.429 ( 6.469 1.148 -1.655) 6.776 2.476 ( 4.391 -2.558 -0.352) 5.094 2.553 ( -0.478 -0.930 -1.840) 2.116 2.559 ( -1.269 -1.115 -0.026) 1.689 2.849 ( 1.718 2.088 1.377) 3.034 2.891 ( 2.469 -1.783 0.980) 3.199 3.381 ( -3.057 0.443 -0.255) 3.100 3.396 ( -2.258 -0.962 0.475) 2.500 3.585 ( 2.621 0.233 2.979) 3.975 3.595 ( 2.835 -0.635 1.812) 3.424 3.812 ( 2.346 0.358 -1.345) 2.728 3.816 ( 1.221 0.054 -1.775) 2.155 4.141 ( -3.788 2.686 -1.573) 4.903 4.179 ( -3.899 -0.584 -1.607) 4.258 4.365 ( -0.976 0.850 -1.172) 1.746 4.390 ( -1.287 -1.387 -0.229) 1.906 4.576 ( -1.836 1.786 1.338) 2.889 4.622 ( -2.368 -2.577 1.816) 3.943 4.720 ( -0.179 1.543 -0.563) 1.652 4.747 ( -0.741 -0.892 -0.825) 1.423 4.894 ( -3.044 1.113 1.066) 3.412 4.924 ( -4.525 -1.471 1.083) 4.880 5.244 ( -1.084 1.571 0.174) 1.917 5.274 ( -1.755 -1.128 2.250) 3.069 5.384 ( 2.066 3.383 -1.791) 4.350 5.458 ( 2.079 -3.106 -0.016) 3.737 5.915 ( 5.393 2.856 0.374) 6.114 5.946 ( 3.937 3.441 -0.130) 5.231 5.980 ( 4.959 -2.553 0.089) 5.579 6.040 ( 4.943 -4.653 -0.670) 6.821 7.308 ( 3.049 2.908 1.935) 4.637 7.381 ( 3.613 -3.144 1.757) 5.102 7.448 ( 2.621 0.281 -2.980) 3.979 7.471 ( 1.223 -2.014 -4.745) 5.298 7.864 ( 1.736 0.937 0.510) 2.038 7.902 ( 3.168 -2.645 -0.328) 4.140 8.285 ( -1.442 3.151 3.449) 4.889 8.395 ( -3.988 -6.866 0.257) 7.944 10.106 ( -0.694 0.357 0.127) 0.791 10.114 ( -0.799 -0.362 -0.085) 0.881 10.157 ( -0.285 -0.042 -0.004) 0.288 10.159 ( -0.317 -0.172 -0.037) 0.362 13.763 ( -2.320 1.563 -0.529) 2.847 13.777 ( -2.036 0.282 0.282) 2.074 14.030 ( -0.409 2.850 1.384) 3.195 14.065 ( -1.539 -0.363 0.201) 1.594 14.603 ( -1.759 1.739 -1.290) 2.789 14.641 ( -0.430 -1.862 -2.476) 3.128 14.994 ( 1.412 2.718 -0.315) 3.079 15.045 ( 3.273 -2.099 0.716) 3.954 15.416 ( 0.225 3.296 2.117) 3.924 15.483 ( -3.918 -0.301 -1.732) 4.294 15.570 ( 3.185 -1.956 3.108) 4.861 15.644 ( -2.933 -6.053 -1.680) 6.933 ======================= Grid point 24 (16/60) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 6.496 3.132 1.829) 7.440 1.074 ( 3.131 0.581 0.967) 3.327 1.183 ( -3.845 0.653 -1.019) 4.031 1.202 ( -0.982 -1.039 -0.142) 1.437 1.388 ( 4.109 3.587 -2.261) 5.905 1.452 ( 3.373 -1.543 -2.288) 4.358 1.521 ( -2.182 0.383 0.320) 2.239 1.538 ( 0.135 -0.314 -2.538) 2.561 1.627 ( 1.718 2.455 0.917) 3.134 1.688 ( -0.256 -3.377 2.231) 4.056 1.785 ( 3.535 3.180 0.394) 4.771 1.855 ( 0.243 -2.864 -0.791) 2.981 1.899 ( -3.667 0.888 1.471) 4.050 1.924 ( -2.329 -1.159 -0.305) 2.619 1.981 ( 0.025 -0.320 0.062) 0.327 1.990 ( -1.809 -1.229 1.024) 2.415 2.459 ( 1.173 3.855 -0.847) 4.117 2.504 ( 3.846 1.879 -0.240) 4.287 2.519 ( 0.367 -0.847 0.621) 1.112 2.545 ( 3.906 -0.373 -0.176) 3.928 2.567 ( 2.222 0.662 -0.610) 2.397 2.637 ( 4.951 -3.837 -0.859) 6.322 2.881 ( 0.994 2.353 0.871) 2.699 2.935 ( 1.297 -2.649 0.524) 2.996 3.331 ( -1.441 1.335 -0.270) 1.983 3.361 ( -1.000 -1.396 0.161) 1.725 3.643 ( 2.032 0.828 2.229) 3.127 3.663 ( 2.835 -0.982 1.555) 3.379 3.818 ( -0.429 0.580 -1.571) 1.729 3.825 ( -0.770 -0.110 -1.222) 1.449 4.079 ( -1.325 2.096 -0.916) 2.643 4.099 ( -2.860 0.342 -0.783) 2.985 4.345 ( -0.642 0.166 -1.115) 1.297 4.358 ( -1.239 -1.023 -0.580) 1.708 4.564 ( 0.327 1.143 1.715) 2.087 4.597 ( -0.297 -1.985 2.027) 2.853 4.714 ( -0.273 0.694 -0.753) 1.060 4.731 ( -0.807 -0.795 -0.433) 1.212 4.860 ( -0.673 0.335 -0.255) 0.794 4.870 ( -1.037 -0.643 0.509) 1.322 5.226 ( -0.479 1.408 0.084) 1.490 5.248 ( -0.778 -0.694 0.858) 1.350 5.410 ( 0.674 3.480 -0.817) 3.637 5.479 ( 0.239 -2.742 0.056) 2.753 5.979 ( 1.396 3.639 -0.053) 3.898 6.025 ( 2.554 3.261 0.188) 4.147 6.054 ( 1.848 -3.247 -0.088) 3.738 6.114 ( 1.982 -4.653 -0.020) 5.058 7.341 ( 0.446 3.474 0.675) 3.567 7.408 ( -0.171 -2.306 0.281) 2.330 7.473 ( 0.229 0.820 -2.232) 2.389 7.499 ( 1.608 -1.361 -0.407) 2.146 7.898 ( 0.997 1.655 0.257) 1.949 7.945 ( 0.688 -2.930 -0.250) 3.020 8.290 ( 1.271 -1.353 1.230) 2.227 8.333 ( -2.012 -5.033 0.339) 5.431 10.096 ( -0.267 0.189 0.079) 0.336 10.101 ( -0.404 -0.196 -0.061) 0.453 10.153 ( -0.148 -0.102 -0.051) 0.187 10.154 ( -0.068 -0.229 0.029) 0.241 13.723 ( -1.159 1.501 -0.337) 1.926 13.740 ( -1.169 -0.089 0.115) 1.178 14.017 ( -0.448 3.068 0.447) 3.133 14.051 ( -0.186 -0.207 0.123) 0.304 14.583 ( -0.389 2.263 -0.183) 2.304 14.633 ( -0.211 -2.376 -0.707) 2.488 15.020 ( 0.800 3.705 0.255) 3.799 15.096 ( 1.370 -3.468 0.507) 3.763 15.395 ( -1.773 3.168 -0.586) 3.677 15.413 ( -1.238 1.768 -0.971) 2.367 15.611 ( -0.427 -3.848 -0.213) 3.878 15.632 ( 1.555 -5.602 1.458) 5.994 ======================= Grid point 49 (17/60) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.312 ( 4.405 0.000 14.875) 15.514 0.355 ( -1.833 0.000 17.425) 17.521 0.517 ( -0.319 0.000 20.926) 20.928 0.711 ( -1.127 0.000 10.060) 10.123 1.013 ( 0.727 0.000 -12.866) 12.886 1.309 ( 0.876 0.000 1.056) 1.372 1.338 ( -1.716 0.000 1.095) 2.036 1.370 ( 0.112 0.000 0.621) 0.631 1.468 ( 1.608 0.000 -14.010) 14.102 1.649 ( 2.242 0.000 -6.518) 6.893 1.749 ( 2.435 0.000 4.530) 5.143 1.824 ( -4.403 0.000 0.992) 4.514 1.969 ( -0.198 0.000 -4.570) 4.574 2.018 ( -0.390 0.000 2.825) 2.852 2.023 ( 2.291 0.000 3.264) 3.988 2.042 ( -2.235 0.000 -3.522) 4.172 2.157 ( -0.850 0.000 -2.555) 2.693 2.162 ( -2.111 0.000 2.498) 3.270 2.373 ( 0.962 0.000 -1.118) 1.475 2.446 ( 2.071 0.000 -0.095) 2.073 2.627 ( 6.603 0.000 0.788) 6.650 2.697 ( -6.523 0.000 -1.180) 6.628 2.768 ( -2.826 0.000 2.574) 3.823 2.846 ( 1.425 0.000 -0.685) 1.581 3.501 ( 3.350 0.000 -0.132) 3.353 3.505 ( 0.146 0.000 -0.065) 0.159 3.553 ( -0.159 0.000 1.424) 1.433 3.599 ( -6.700 0.000 -0.144) 6.701 3.677 ( 2.835 0.000 3.191) 4.268 3.818 ( -0.957 0.000 -1.184) 1.522 4.145 ( 1.759 0.000 1.446) 2.277 4.271 ( -5.315 0.000 -4.393) 6.895 4.336 ( -2.889 0.000 1.825) 3.418 4.435 ( 1.826 0.000 -0.047) 1.826 4.542 ( 2.142 0.000 3.794) 4.357 4.706 ( 6.246 0.000 -9.317) 11.216 4.723 ( -0.717 0.000 -1.262) 1.451 4.748 ( -0.928 0.000 -1.556) 1.812 5.178 ( -5.555 0.000 2.022) 5.912 5.195 ( -0.601 0.000 2.684) 2.750 5.211 ( -5.372 0.000 -1.110) 5.486 5.267 ( -12.758 0.000 0.505) 12.768 5.388 ( 2.171 0.000 -2.145) 3.052 5.409 ( 6.054 0.000 -2.413) 6.517 5.620 ( 5.869 0.000 5.659) 8.153 5.699 ( 1.107 0.000 0.323) 1.153 6.125 ( -7.183 0.000 10.016) 12.326 6.631 ( 10.626 0.000 -10.255) 14.767 7.064 ( -13.978 0.000 3.576) 14.428 7.255 ( 3.086 0.000 -4.710) 5.631 7.402 ( 0.950 0.000 1.798) 2.033 7.410 ( -1.486 0.000 1.771) 2.312 7.932 ( -2.453 0.000 0.023) 2.453 7.949 ( 2.660 0.000 -0.697) 2.750 8.643 ( 23.898 0.000 1.059) 23.921 8.686 ( -3.764 0.000 -0.681) 3.825 10.136 ( 0.344 0.000 0.122) 0.365 10.145 ( -0.247 0.000 -0.272) 0.368 10.164 ( -0.236 0.000 0.124) 0.266 10.166 ( 0.063 0.000 0.016) 0.065 13.680 ( -1.904 0.000 0.298) 1.927 13.716 ( 0.122 0.000 -0.945) 0.953 13.746 ( 3.279 0.000 3.802) 5.021 13.919 ( -12.318 0.000 -3.352) 12.766 14.600 ( -22.062 0.000 1.374) 22.105 14.715 ( 6.157 0.000 -3.461) 7.064 14.765 ( -0.167 0.000 2.238) 2.244 14.822 ( -2.896 0.000 0.202) 2.903 15.492 ( 0.140 0.000 1.857) 1.862 15.591 ( -0.068 0.000 -2.103) 2.104 16.095 ( -4.469 0.000 0.328) 4.481 16.107 ( 27.834 0.000 -0.193) 27.834 ======================= Grid point 50 (18/60) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( 9.686 0.000 11.718) 15.203 0.536 ( 11.467 0.000 8.719) 14.405 0.728 ( 7.415 0.000 6.576) 9.911 0.927 ( 24.754 0.000 12.838) 27.885 1.147 ( 11.369 0.000 -11.366) 16.077 1.328 ( 0.152 0.000 1.167) 1.177 1.359 ( 3.586 0.000 -0.111) 3.588 1.394 ( 1.967 0.000 1.841) 2.694 1.527 ( 5.753 0.000 -11.004) 12.417 1.707 ( 2.514 0.000 -6.923) 7.365 1.737 ( -3.683 0.000 -2.277) 4.330 1.874 ( 7.898 0.000 8.571) 11.655 1.875 ( -6.799 0.000 1.465) 6.955 1.974 ( -2.925 0.000 -4.933) 5.735 2.053 ( -0.694 0.000 0.756) 1.027 2.112 ( -1.749 0.000 -1.185) 2.113 2.137 ( 7.030 0.000 -3.119) 7.691 2.162 ( 3.848 0.000 3.704) 5.341 2.382 ( -0.391 0.000 -0.517) 0.648 2.488 ( 2.474 0.000 0.786) 2.596 2.575 ( -3.981 0.000 -6.215) 7.381 2.688 ( -1.478 0.000 4.291) 4.538 2.777 ( 3.715 0.000 1.546) 4.023 2.867 ( 0.939 0.000 -0.229) 0.966 3.448 ( -5.919 0.000 -1.927) 6.225 3.505 ( -1.931 0.000 -1.005) 2.177 3.537 ( 1.595 0.000 0.241) 1.613 3.601 ( 3.386 0.000 3.921) 5.180 3.754 ( 4.177 0.000 2.988) 5.135 3.789 ( -1.788 0.000 -0.853) 1.981 4.120 ( -6.365 0.000 -0.790) 6.414 4.161 ( -0.554 0.000 3.318) 3.364 4.306 ( -0.010 0.000 0.427) 0.427 4.487 ( 2.835 0.000 1.123) 3.050 4.547 ( -3.153 0.000 -1.409) 3.453 4.677 ( -3.968 0.000 -6.953) 8.006 4.691 ( -0.647 0.000 0.682) 0.940 4.783 ( 1.598 0.000 -5.322) 5.557 5.001 ( -9.238 0.000 6.655) 11.386 5.016 ( -4.212 0.000 5.992) 7.324 5.199 ( -1.535 0.000 3.194) 3.544 5.252 ( 2.748 0.000 1.323) 3.049 5.466 ( 4.407 0.000 0.307) 4.418 5.499 ( 1.195 0.000 -3.201) 3.417 5.680 ( -0.209 0.000 -3.324) 3.331 5.747 ( 5.420 0.000 2.487) 5.963 6.067 ( 1.319 0.000 2.305) 2.656 6.241 ( -9.503 0.000 13.096) 16.180 7.325 ( 1.794 0.000 1.637) 2.429 7.392 ( 0.713 0.000 0.298) 0.773 7.410 ( 7.666 0.000 -9.776) 12.423 7.425 ( 1.771 0.000 -2.185) 2.813 7.915 ( -0.532 0.000 -1.247) 1.356 8.059 ( 7.624 0.000 2.334) 7.973 8.596 ( -4.481 0.000 -5.574) 7.152 8.919 ( 1.686 0.000 -4.614) 4.912 10.130 ( -1.134 0.000 -0.696) 1.331 10.130 ( -0.563 0.000 0.549) 0.787 10.163 ( 0.369 0.000 0.166) 0.405 10.171 ( 0.158 0.000 -0.096) 0.185 13.638 ( -1.834 0.000 0.735) 1.975 13.687 ( -0.530 0.000 -1.653) 1.736 13.806 ( 1.452 0.000 4.614) 4.837 13.843 ( 3.478 0.000 -2.305) 4.173 14.468 ( 1.171 0.000 -1.409) 1.832 14.706 ( -2.855 0.000 -0.400) 2.883 14.823 ( 3.269 0.000 4.352) 5.443 14.968 ( 12.044 0.000 1.974) 12.205 15.459 ( -3.069 0.000 1.453) 3.395 15.508 ( -7.261 0.000 -2.195) 7.586 15.972 ( -5.962 0.000 -5.077) 7.831 16.261 ( -4.610 0.000 -0.563) 4.644 ======================= Grid point 51 (19/60) ======================= q-point: ( 0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 10.684 0.000 7.290) 12.934 0.826 ( 14.396 0.000 -1.596) 14.484 0.889 ( 8.778 0.000 10.351) 13.571 1.305 ( -0.807 0.000 -2.101) 2.250 1.334 ( 5.607 0.000 1.335) 5.764 1.358 ( 5.928 0.000 -4.446) 7.410 1.441 ( 2.988 0.000 0.278) 3.001 1.524 ( 15.054 0.000 3.312) 15.414 1.644 ( 3.825 0.000 2.463) 4.550 1.660 ( -5.266 0.000 -3.737) 6.457 1.716 ( -8.275 0.000 2.615) 8.678 1.734 ( 5.348 0.000 -8.656) 10.175 1.872 ( -4.798 0.000 -2.602) 5.459 1.982 ( 2.142 0.000 -0.544) 2.210 2.081 ( -1.864 0.000 1.628) 2.475 2.140 ( 7.050 0.000 0.171) 7.052 2.210 ( -0.138 0.000 2.257) 2.261 2.304 ( 8.091 0.000 -1.251) 8.187 2.407 ( 2.140 0.000 1.828) 2.815 2.547 ( 1.330 0.000 0.055) 1.331 2.551 ( 3.723 0.000 -6.221) 7.250 2.674 ( 1.873 0.000 1.496) 2.398 2.834 ( 1.194 0.000 3.231) 3.445 2.906 ( 3.354 0.000 -2.425) 4.139 3.329 ( -4.894 0.000 -1.943) 5.265 3.454 ( -2.572 0.000 -1.617) 3.038 3.597 ( 3.803 0.000 0.253) 3.812 3.663 ( 1.885 0.000 4.038) 4.457 3.748 ( -1.852 0.000 0.449) 1.906 3.845 ( 3.749 0.000 1.979) 4.239 4.024 ( -2.828 0.000 -2.212) 3.590 4.121 ( -4.103 0.000 5.868) 7.160 4.324 ( 1.420 0.000 0.686) 1.577 4.429 ( -5.734 0.000 -5.920) 8.241 4.520 ( -1.068 0.000 -0.602) 1.226 4.613 ( 0.069 0.000 -7.981) 7.981 4.719 ( 2.022 0.000 1.350) 2.431 4.774 ( -2.590 0.000 -2.426) 3.549 4.866 ( -2.972 0.000 6.654) 7.287 4.980 ( -1.117 0.000 3.149) 3.341 5.161 ( -1.773 0.000 2.141) 2.780 5.320 ( 2.751 0.000 4.629) 5.384 5.415 ( -6.451 0.000 0.240) 6.455 5.534 ( 1.504 0.000 1.645) 2.229 5.766 ( 6.899 0.000 -6.619) 9.561 5.828 ( 2.221 0.000 1.552) 2.709 6.150 ( 5.524 0.000 -3.352) 6.461 6.196 ( 0.875 0.000 6.196) 6.257 7.304 ( -2.501 0.000 2.883) 3.817 7.421 ( -1.910 0.000 -6.727) 6.993 7.444 ( 2.579 0.000 2.053) 3.296 7.475 ( 2.620 0.000 2.413) 3.562 7.882 ( -2.481 0.000 -1.169) 2.743 8.211 ( 4.049 0.000 5.223) 6.608 8.517 ( -0.609 0.000 -9.374) 9.393 8.857 ( -5.154 0.000 1.371) 5.333 10.106 ( -0.843 0.000 -0.753) 1.130 10.122 ( -0.311 0.000 0.932) 0.983 10.168 ( -0.289 0.000 -0.368) 0.468 10.172 ( 0.397 0.000 0.127) 0.417 13.613 ( -0.566 0.000 0.435) 0.714 13.687 ( 0.257 0.000 -1.752) 1.770 13.812 ( -1.189 0.000 4.505) 4.660 13.903 ( 1.975 0.000 -4.118) 4.567 14.511 ( 2.766 0.000 -4.868) 5.599 14.655 ( -2.046 0.000 -0.620) 2.138 14.887 ( 1.939 0.000 7.214) 7.470 15.205 ( 9.240 0.000 4.517) 10.285 15.335 ( -7.906 0.000 -2.625) 8.331 15.392 ( -2.932 0.000 0.629) 2.999 15.872 ( -2.644 0.000 -5.884) 6.451 16.144 ( -5.476 0.000 1.019) 5.570 ======================= Grid point 52 (20/60) ======================= q-point: ( 0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 7.757 0.000 3.493) 8.508 1.013 ( 5.438 0.000 2.994) 6.208 1.163 ( 13.001 0.000 3.562) 13.480 1.221 ( -5.501 0.000 1.819) 5.794 1.321 ( -4.019 0.000 -2.668) 4.824 1.423 ( 0.665 0.000 -1.013) 1.211 1.446 ( -4.704 0.000 -0.742) 4.762 1.519 ( -5.887 0.000 -0.716) 5.930 1.584 ( -1.714 0.000 2.647) 3.154 1.721 ( 1.819 0.000 2.485) 3.079 1.738 ( 5.935 0.000 -8.299) 10.203 1.889 ( 7.327 0.000 -1.156) 7.418 1.899 ( 6.981 0.000 1.243) 7.091 1.984 ( -2.053 0.000 -4.843) 5.260 2.029 ( -3.008 0.000 0.620) 3.071 2.134 ( -3.049 0.000 -1.289) 3.310 2.267 ( 1.204 0.000 5.858) 5.980 2.407 ( -0.258 0.000 4.265) 4.273 2.478 ( 5.171 0.000 -2.081) 5.574 2.516 ( -1.721 0.000 -1.496) 2.281 2.654 ( 3.811 0.000 -0.496) 3.843 2.753 ( 2.429 0.000 -2.564) 3.532 2.847 ( 0.291 0.000 3.088) 3.101 2.989 ( 4.239 0.000 -4.652) 6.294 3.265 ( -0.611 0.000 -0.347) 0.702 3.399 ( -2.400 0.000 -3.327) 4.103 3.672 ( 2.677 0.000 1.061) 2.879 3.675 ( -0.977 0.000 3.649) 3.778 3.739 ( 1.216 0.000 0.426) 1.288 3.873 ( -0.827 0.000 -2.759) 2.881 4.017 ( -5.977 0.000 8.353) 10.272 4.032 ( 3.562 0.000 3.334) 4.879 4.333 ( -0.631 0.000 -5.674) 5.708 4.373 ( 1.327 0.000 0.919) 1.614 4.462 ( -3.291 0.000 -6.933) 7.674 4.605 ( -1.740 0.000 -6.733) 6.954 4.737 ( 0.298 0.000 1.254) 1.289 4.748 ( 0.397 0.000 0.337) 0.521 4.866 ( 1.266 0.000 4.833) 4.996 4.961 ( -1.020 0.000 1.901) 2.157 5.152 ( 0.882 0.000 2.988) 3.116 5.282 ( -5.138 0.000 -0.780) 5.197 5.382 ( 2.042 0.000 6.267) 6.591 5.532 ( -1.396 0.000 0.660) 1.544 5.845 ( -0.853 0.000 0.492) 0.984 5.880 ( 3.926 0.000 -4.397) 5.894 6.228 ( 0.974 0.000 1.276) 1.605 6.252 ( 4.437 0.000 -2.926) 5.315 7.255 ( -2.318 0.000 1.650) 2.845 7.360 ( -2.358 0.000 -5.624) 6.098 7.491 ( 1.833 0.000 3.805) 4.223 7.566 ( 5.620 0.000 7.581) 9.437 7.824 ( -2.487 0.000 -1.489) 2.898 8.178 ( -5.438 0.000 -3.333) 6.378 8.589 ( 6.272 0.000 -2.322) 6.688 8.747 ( -5.437 0.000 0.469) 5.457 10.099 ( 0.204 0.000 -0.251) 0.324 10.113 ( -0.767 0.000 0.466) 0.897 10.165 ( 0.211 0.000 -0.166) 0.268 10.176 ( -0.105 0.000 0.033) 0.110 13.620 ( 1.255 0.000 -0.031) 1.256 13.687 ( -0.110 0.000 -1.493) 1.497 13.775 ( -2.655 0.000 4.437) 5.170 13.921 ( 0.720 0.000 -3.609) 3.680 14.564 ( 2.865 0.000 -4.722) 5.523 14.618 ( -1.466 0.000 -1.699) 2.244 14.919 ( 0.543 0.000 9.092) 9.108 15.213 ( -3.137 0.000 -3.118) 4.423 15.327 ( 1.974 0.000 3.278) 3.827 15.357 ( -0.482 0.000 0.682) 0.835 15.862 ( 2.112 0.000 -1.823) 2.790 16.044 ( -4.400 0.000 -1.942) 4.809 ======================= Grid point 53 (21/60) ======================= q-point: (-0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -11.866 0.000 2.454) 12.117 1.036 ( -4.345 0.000 5.146) 6.735 1.137 ( -12.587 0.000 2.199) 12.777 1.254 ( 7.213 0.000 2.551) 7.651 1.344 ( 0.832 0.000 1.438) 1.661 1.378 ( 2.838 0.000 -2.521) 3.796 1.390 ( -2.394 0.000 -2.636) 3.561 1.458 ( -0.733 0.000 -2.391) 2.500 1.636 ( 4.401 0.000 0.055) 4.402 1.784 ( 4.873 0.000 4.728) 6.790 1.843 ( 1.706 0.000 -5.920) 6.161 1.869 ( -3.665 0.000 -3.941) 5.382 1.888 ( -9.323 0.000 0.106) 9.324 1.993 ( 0.070 0.000 -1.053) 1.056 2.039 ( 3.492 0.000 1.011) 3.636 2.073 ( -1.003 0.000 -2.318) 2.526 2.310 ( 1.244 0.000 5.287) 5.431 2.327 ( -5.057 0.000 3.454) 6.124 2.492 ( -1.238 0.000 -3.104) 3.342 2.505 ( -2.868 0.000 0.036) 2.868 2.687 ( -0.137 0.000 1.040) 1.049 2.710 ( -5.746 0.000 -3.301) 6.627 2.851 ( -0.502 0.000 1.665) 1.739 3.028 ( -0.503 0.000 -3.777) 3.810 3.307 ( 3.880 0.000 1.235) 4.072 3.359 ( -0.613 0.000 -4.922) 4.960 3.642 ( -2.576 0.000 1.946) 3.229 3.689 ( -1.101 0.000 2.128) 2.396 3.797 ( 3.906 0.000 0.098) 3.907 3.849 ( -0.974 0.000 -3.034) 3.186 3.934 ( -2.016 0.000 8.082) 8.330 4.133 ( 5.041 0.000 6.580) 8.289 4.354 ( 3.034 0.000 -6.592) 7.257 4.387 ( -2.459 0.000 -8.780) 9.118 4.408 ( 1.305 0.000 3.861) 4.076 4.540 ( -3.086 0.000 -6.345) 7.056 4.735 ( -1.317 0.000 0.252) 1.340 4.754 ( 0.538 0.000 0.127) 0.553 4.921 ( 3.396 0.000 4.504) 5.641 4.950 ( 0.010 0.000 1.368) 1.368 5.202 ( 3.167 0.000 5.399) 6.259 5.203 ( -2.192 0.000 -1.637) 2.736 5.441 ( 3.120 0.000 5.916) 6.688 5.497 ( -1.741 0.000 -0.492) 1.809 5.787 ( -4.755 0.000 -1.768) 5.073 5.895 ( -2.162 0.000 -2.262) 3.129 6.219 ( -2.150 0.000 -0.879) 2.323 6.320 ( 2.260 0.000 -0.968) 2.458 7.220 ( -1.057 0.000 1.003) 1.457 7.330 ( -0.067 0.000 -2.659) 2.660 7.524 ( 0.518 0.000 4.429) 4.459 7.710 ( 6.133 0.000 3.678) 7.151 7.802 ( 1.632 0.000 3.683) 4.028 8.055 ( -4.946 0.000 -7.699) 9.151 8.636 ( -5.299 0.000 -3.814) 6.529 8.703 ( 4.237 0.000 2.171) 4.761 10.096 ( -0.633 0.000 -0.198) 0.663 10.113 ( 1.090 0.000 0.393) 1.158 10.170 ( -0.403 0.000 -0.250) 0.475 10.173 ( 0.345 0.000 0.138) 0.372 13.657 ( 1.935 0.000 -0.920) 2.143 13.681 ( -0.116 0.000 -1.863) 1.867 13.726 ( -2.252 0.000 4.808) 5.310 13.937 ( 1.274 0.000 -2.692) 2.978 14.589 ( -1.013 0.000 -3.013) 3.179 14.616 ( 2.673 0.000 -3.845) 4.683 14.952 ( 2.122 0.000 10.638) 10.847 15.183 ( -0.849 0.000 -3.859) 3.951 15.329 ( -0.203 0.000 2.086) 2.096 15.369 ( 1.296 0.000 1.574) 2.039 15.938 ( 4.717 0.000 2.024) 5.133 15.943 ( -5.413 0.000 -5.905) 8.011 ======================= Grid point 54 (22/60) ======================= q-point: (-0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( -14.261 0.000 4.280) 14.890 0.849 ( -14.811 0.000 10.112) 17.934 0.895 ( -8.564 0.000 2.312) 8.871 1.288 ( -4.011 0.000 -4.415) 5.965 1.340 ( -1.801 0.000 4.039) 4.422 1.391 ( -4.229 0.000 -1.133) 4.378 1.428 ( 2.677 0.000 -1.865) 3.263 1.443 ( 0.820 0.000 -3.031) 3.140 1.526 ( -20.849 0.000 3.027) 21.068 1.699 ( -6.050 0.000 -3.547) 7.013 1.727 ( 5.227 0.000 -1.410) 5.413 1.895 ( -4.617 0.000 -1.421) 4.831 1.955 ( 8.423 0.000 0.379) 8.432 1.966 ( 2.169 0.000 -2.704) 3.466 2.061 ( -2.167 0.000 1.813) 2.826 2.126 ( 3.611 0.000 3.694) 5.166 2.231 ( -7.542 0.000 -4.339) 8.701 2.257 ( -1.408 0.000 1.490) 2.050 2.445 ( -3.097 0.000 6.150) 6.886 2.460 ( -2.675 0.000 -5.127) 5.782 2.533 ( -8.649 0.000 -4.172) 9.602 2.693 ( 2.055 0.000 1.191) 2.375 2.842 ( -0.478 0.000 1.383) 1.464 2.968 ( -4.409 0.000 -1.279) 4.591 3.370 ( 2.087 0.000 -4.464) 4.928 3.397 ( 4.374 0.000 1.021) 4.492 3.589 ( -2.209 0.000 0.238) 2.222 3.655 ( -2.002 0.000 3.521) 4.051 3.810 ( -2.844 0.000 -1.205) 3.089 3.839 ( 0.016 0.000 3.952) 3.952 3.986 ( 5.211 0.000 0.475) 5.233 4.242 ( 4.533 0.000 7.262) 8.561 4.371 ( 2.256 0.000 -6.076) 6.481 4.390 ( -0.055 0.000 -4.599) 4.600 4.441 ( 1.807 0.000 2.773) 3.310 4.484 ( -0.978 0.000 -7.128) 7.195 4.718 ( -0.032 0.000 1.007) 1.008 4.757 ( -0.038 0.000 -0.591) 0.593 4.983 ( 3.755 0.000 3.644) 5.232 5.008 ( 4.479 0.000 2.390) 5.076 5.190 ( 0.974 0.000 -1.839) 2.081 5.272 ( 2.075 0.000 8.756) 8.998 5.470 ( -0.290 0.000 -1.237) 1.270 5.518 ( 3.227 0.000 3.957) 5.106 5.650 ( -8.004 0.000 -4.711) 9.287 5.799 ( -6.320 0.000 -1.511) 6.499 6.142 ( -4.652 0.000 0.199) 4.656 6.335 ( -1.151 0.000 2.316) 2.586 7.216 ( 0.424 0.000 0.286) 0.512 7.345 ( 1.435 0.000 -0.394) 1.488 7.507 ( -2.579 0.000 3.053) 3.997 7.756 ( 0.711 0.000 -9.484) 9.511 7.948 ( 8.418 0.000 16.366) 18.405 7.973 ( -2.216 0.000 -6.192) 6.576 8.506 ( -7.090 0.000 -10.815) 12.932 8.760 ( 0.845 0.000 4.109) 4.195 10.094 ( 0.535 0.000 -0.259) 0.595 10.138 ( 1.046 0.000 0.563) 1.189 10.161 ( -0.338 0.000 -0.354) 0.490 10.175 ( -0.131 0.000 0.002) 0.131 13.667 ( -0.554 0.000 -0.237) 0.602 13.685 ( 0.724 0.000 -1.944) 2.075 13.720 ( 0.639 0.000 3.261) 3.323 13.966 ( 1.798 0.000 -2.001) 2.690 14.577 ( 0.451 0.000 -4.219) 4.243 14.662 ( 2.186 0.000 -2.782) 3.538 15.054 ( 7.074 0.000 13.940) 15.632 15.099 ( -6.567 0.000 -2.791) 7.136 15.396 ( 6.022 0.000 0.567) 6.049 15.409 ( 2.114 0.000 1.373) 2.520 15.785 ( -9.660 0.000 -10.637) 14.369 16.044 ( 4.858 0.000 3.618) 6.058 ======================= Grid point 55 (23/60) ======================= q-point: (-0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.344 ( -9.039 0.000 9.423) 13.057 0.583 ( -12.283 0.000 16.415) 20.502 0.709 ( -11.079 0.000 4.764) 12.060 0.926 ( -25.414 0.000 10.102) 27.348 1.139 ( -8.814 0.000 -9.800) 13.181 1.318 ( -1.407 0.000 2.545) 2.907 1.389 ( -1.981 0.000 -0.726) 2.109 1.389 ( -2.809 0.000 -0.025) 2.809 1.470 ( 0.158 0.000 -7.401) 7.403 1.651 ( 0.111 0.000 -8.587) 8.587 1.763 ( -5.188 0.000 4.336) 6.761 1.856 ( 7.125 0.000 -2.266) 7.477 1.937 ( -7.375 0.000 0.258) 7.380 1.998 ( 0.300 0.000 2.825) 2.841 2.073 ( 0.788 0.000 1.340) 1.554 2.134 ( -1.188 0.000 -0.861) 1.467 2.168 ( 1.123 0.000 -5.274) 5.392 2.201 ( -8.106 0.000 0.482) 8.121 2.384 ( -2.579 0.000 5.196) 5.801 2.386 ( 3.411 0.000 -1.702) 3.812 2.504 ( 3.431 0.000 -4.548) 5.697 2.760 ( 2.542 0.000 1.419) 2.911 2.822 ( -2.031 0.000 2.103) 2.924 2.863 ( -4.931 0.000 -1.033) 5.038 3.425 ( 3.506 0.000 -2.073) 4.074 3.477 ( 2.957 0.000 -0.016) 2.957 3.561 ( -0.636 0.000 -0.176) 0.660 3.634 ( -0.060 0.000 4.868) 4.868 3.728 ( -4.969 0.000 -0.746) 5.025 3.834 ( -0.649 0.000 1.212) 1.375 4.085 ( 3.993 0.000 -0.373) 4.010 4.322 ( 1.539 0.000 2.036) 2.553 4.358 ( -1.467 0.000 -0.321) 1.501 4.412 ( 0.863 0.000 -1.318) 1.575 4.482 ( 2.307 0.000 2.662) 3.522 4.545 ( 8.229 0.000 -8.788) 12.039 4.726 ( 0.290 0.000 -0.252) 0.384 4.757 ( 0.145 0.000 -1.446) 1.454 5.108 ( 4.941 0.000 0.288) 4.949 5.152 ( 11.954 0.000 7.786) 14.266 5.224 ( 2.214 0.000 -0.086) 2.215 5.285 ( -1.825 0.000 7.350) 7.574 5.463 ( -8.397 0.000 -6.057) 10.354 5.509 ( 3.927 0.000 3.048) 4.971 5.530 ( -4.477 0.000 -2.912) 5.341 5.686 ( -2.539 0.000 0.066) 2.540 6.106 ( 5.723 0.000 8.101) 9.919 6.268 ( -6.125 0.000 8.232) 10.260 7.227 ( 0.719 0.000 -2.886) 2.975 7.376 ( 1.402 0.000 0.938) 1.687 7.448 ( -2.712 0.000 1.842) 3.278 7.699 ( -8.941 0.000 -18.733) 20.757 7.938 ( -0.780 0.000 -2.918) 3.020 8.078 ( -4.110 0.000 6.902) 8.033 8.337 ( -1.148 0.000 -3.349) 3.541 8.748 ( -2.195 0.000 3.133) 3.825 10.115 ( 1.303 0.000 -0.060) 1.305 10.147 ( -0.058 0.000 -0.213) 0.221 10.162 ( 0.328 0.000 0.306) 0.449 10.170 ( -0.321 0.000 -0.127) 0.345 13.674 ( 1.579 0.000 0.301) 1.608 13.702 ( 0.997 0.000 -1.532) 1.828 13.722 ( -0.815 0.000 2.295) 2.436 14.004 ( 1.636 0.000 -3.100) 3.505 14.609 ( 3.507 0.000 -4.804) 5.948 14.700 ( 1.742 0.000 -1.499) 2.298 14.945 ( -7.427 0.000 -1.052) 7.501 15.255 ( -5.219 0.000 -7.144) 8.847 15.395 ( 2.148 0.000 -0.083) 2.149 15.528 ( 5.712 0.000 -1.254) 5.848 15.588 ( 1.653 0.000 10.561) 10.690 16.122 ( 1.577 0.000 3.600) 3.930 ======================= Grid point 56 (24/60) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.359 ( 3.964 5.843 13.149) 14.924 0.464 ( -0.648 8.577 12.400) 15.091 0.617 ( -1.953 8.715 16.126) 18.434 0.824 ( -0.719 8.884 6.656) 11.124 1.026 ( 1.149 0.878 -11.621) 11.711 1.271 ( -0.840 -2.660 -0.649) 2.864 1.344 ( -0.659 0.326 1.277) 1.473 1.388 ( -0.584 1.278 -1.520) 2.070 1.496 ( 2.895 2.143 -9.870) 10.507 1.638 ( 0.357 -1.301 -6.194) 6.339 1.761 ( 3.510 0.010 3.200) 4.750 1.824 ( -4.463 -0.524 2.350) 5.071 1.939 ( -2.386 -0.427 -0.256) 2.437 1.971 ( 2.738 -2.256 -0.423) 3.573 2.014 ( -1.054 -2.065 -4.408) 4.981 2.067 ( 0.001 1.136 2.079) 2.369 2.155 ( -1.401 0.415 -3.731) 4.007 2.208 ( -1.118 2.368 0.496) 2.666 2.352 ( 1.724 -1.419 0.364) 2.263 2.450 ( 0.888 -0.099 0.310) 0.946 2.628 ( 5.954 0.073 0.721) 5.998 2.673 ( -6.282 -1.772 0.568) 6.552 2.774 ( -2.139 0.501 0.520) 2.258 2.840 ( 1.575 -0.589 -0.811) 1.867 3.492 ( 2.358 -0.672 -0.586) 2.521 3.496 ( 0.372 -0.958 0.010) 1.028 3.549 ( 0.883 -0.159 1.994) 2.187 3.605 ( -6.177 0.415 -0.131) 6.193 3.670 ( 2.873 -0.418 3.668) 4.678 3.822 ( -0.390 -0.192 -0.915) 1.013 4.155 ( 1.928 1.062 0.520) 2.262 4.269 ( -5.431 -0.677 -1.452) 5.662 4.325 ( -0.174 0.562 0.091) 0.596 4.429 ( 0.568 -0.453 -1.791) 1.933 4.549 ( 2.553 0.631 4.124) 4.891 4.678 ( 0.391 0.261 -1.989) 2.044 4.728 ( -0.846 -1.369 -1.878) 2.473 4.802 ( 4.070 4.137 -8.319) 10.143 5.128 ( -4.939 -4.619 8.347) 10.742 5.175 ( -6.031 -0.692 3.574) 7.044 5.219 ( -1.441 0.519 -1.545) 2.176 5.249 ( -1.067 0.601 2.034) 2.374 5.384 ( 1.747 -0.631 -0.279) 1.878 5.445 ( 2.530 0.205 -5.033) 5.637 5.656 ( 3.293 3.222 -0.147) 4.609 5.693 ( 0.841 -0.357 0.233) 0.942 6.059 ( -4.868 -5.423 7.417) 10.398 6.283 ( 2.863 -18.312 7.529) 20.005 7.063 ( -2.867 0.415 3.264) 4.365 7.271 ( -0.454 0.119 -6.610) 6.627 7.379 ( 0.920 -1.368 1.201) 2.040 7.423 ( -1.025 -0.284 -0.439) 1.151 7.883 ( 1.512 -3.260 1.366) 3.844 7.922 ( -0.240 -1.502 -0.485) 1.597 8.348 ( 8.480 -5.197 18.083) 20.638 8.762 ( -0.685 -2.974 -5.636) 6.409 10.132 ( 0.158 -0.222 0.192) 0.333 10.143 ( -0.120 -0.083 -0.310) 0.342 10.165 ( 0.101 -0.051 0.081) 0.139 10.168 ( -0.169 0.221 0.049) 0.283 13.727 ( 1.502 2.238 0.228) 2.705 13.742 ( -0.897 2.220 -0.668) 2.486 13.832 ( 2.182 3.925 0.977) 4.595 14.079 ( -3.019 7.954 -14.196) 16.551 14.627 ( -13.141 1.962 3.513) 13.743 14.750 ( -0.339 2.104 -2.774) 3.498 14.759 ( 1.770 0.309 1.499) 2.340 14.861 ( -4.926 3.164 -4.857) 7.607 15.471 ( 1.438 -1.826 2.300) 3.270 15.588 ( -0.122 -0.205 -2.443) 2.454 15.790 ( 16.561 -15.735 17.137) 28.557 16.032 ( -3.093 -6.142 -1.316) 7.002 ======================= Grid point 57 (25/60) ======================= q-point: ( 0.14 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( 8.844 3.883 10.820) 14.504 0.607 ( 9.398 6.240 8.139) 13.911 0.809 ( 8.216 6.436 4.383) 11.320 0.960 ( 17.751 3.048 8.003) 19.709 1.182 ( 13.582 2.751 -8.421) 16.216 1.285 ( 1.718 -2.598 0.138) 3.118 1.363 ( 2.620 -0.011 0.169) 2.625 1.397 ( 1.254 0.428 -0.201) 1.340 1.567 ( 4.810 2.509 -6.704) 8.624 1.655 ( 0.867 -4.272 -5.910) 7.343 1.732 ( -4.076 -0.441 -0.196) 4.105 1.879 ( -1.428 0.233 0.853) 1.679 1.897 ( 4.723 2.365 6.189) 8.137 1.978 ( 0.028 0.381 -3.700) 3.719 2.051 ( 0.190 -0.093 -1.110) 1.130 2.084 ( 0.559 -2.981 -0.881) 3.158 2.137 ( 3.997 1.086 -2.544) 4.861 2.189 ( 1.074 1.386 2.225) 2.833 2.384 ( 0.424 0.051 0.708) 0.827 2.471 ( 2.315 -1.565 -0.288) 2.809 2.559 ( -3.680 -1.048 -4.472) 5.886 2.675 ( -1.832 -1.155 3.349) 3.988 2.782 ( 2.942 0.511 1.159) 3.203 2.868 ( 1.466 0.012 -0.358) 1.509 3.448 ( -5.216 -0.047 -1.700) 5.487 3.497 ( -2.068 -0.799 -0.670) 2.316 3.537 ( 1.297 0.126 -0.446) 1.378 3.602 ( 3.185 0.043 3.951) 5.075 3.745 ( 3.916 -0.569 2.706) 4.794 3.803 ( -1.456 0.573 -0.787) 1.751 4.134 ( -5.628 1.194 -0.587) 5.783 4.185 ( 0.001 1.876 2.420) 3.062 4.312 ( -0.451 0.749 -0.076) 0.877 4.452 ( 0.820 -2.569 -2.041) 3.382 4.559 ( -2.882 1.161 -0.653) 3.175 4.649 ( 0.148 -0.347 -0.145) 0.405 4.722 ( -1.082 -0.267 -2.528) 2.763 4.820 ( -0.967 3.500 -8.166) 8.937 4.974 ( -6.581 -1.902 6.347) 9.339 5.039 ( -6.258 1.303 6.387) 9.037 5.203 ( -1.322 0.651 1.662) 2.221 5.256 ( 1.716 0.453 2.000) 2.674 5.464 ( 4.291 -0.559 0.280) 4.336 5.477 ( -0.562 -2.061 -1.683) 2.720 5.692 ( 1.983 1.575 -3.042) 3.957 5.764 ( 5.081 1.223 0.408) 5.243 6.034 ( 2.099 -2.907 2.354) 4.289 6.170 ( -3.780 -5.835 9.508) 11.779 7.287 ( 5.661 -3.322 -0.722) 6.603 7.350 ( 6.265 -1.917 -2.314) 6.948 7.411 ( 2.893 -0.529 0.151) 2.945 7.417 ( 0.844 -1.028 -4.793) 4.974 7.899 ( -0.149 -1.078 -0.844) 1.377 7.997 ( 7.083 -5.522 0.876) 9.023 8.481 ( 1.117 -7.399 6.348) 9.813 8.754 ( 0.532 -8.457 -2.421) 8.813 10.125 ( -0.638 -0.229 0.374) 0.774 10.132 ( -0.907 0.015 -0.520) 1.046 10.163 ( -0.003 0.076 0.171) 0.187 10.170 ( 0.092 -0.085 -0.013) 0.126 13.700 ( -2.711 2.148 -0.344) 3.476 13.742 ( -0.676 3.322 -0.263) 3.400 13.871 ( 0.845 3.362 -0.251) 3.476 13.941 ( -3.286 9.776 -4.090) 11.095 14.494 ( 0.111 2.254 -1.063) 2.494 14.712 ( -2.551 0.135 0.418) 2.589 14.834 ( 3.088 1.462 2.847) 4.447 14.969 ( 10.682 0.109 1.451) 10.781 15.452 ( -2.696 -0.600 1.778) 3.285 15.504 ( -6.987 -0.251 -2.927) 7.579 15.912 ( -4.424 -5.392 -4.243) 8.164 16.035 ( 2.466 -15.183 5.824) 16.448 ======================= Grid point 58 (26/60) ======================= q-point: ( 0.29 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 10.506 2.357 6.674) 12.668 0.873 ( 14.631 3.487 1.608) 15.126 0.935 ( 5.623 4.495 5.999) 9.371 1.255 ( 5.854 -3.602 -1.939) 7.141 1.305 ( -0.823 0.181 -1.121) 1.403 1.427 ( 2.627 -0.788 0.302) 2.759 1.448 ( 6.475 3.664 -1.233) 7.541 1.497 ( 11.162 -1.441 1.948) 11.422 1.601 ( -5.417 -3.279 -0.795) 6.382 1.679 ( 4.753 1.151 2.071) 5.311 1.714 ( 3.534 0.822 -6.104) 7.101 1.793 ( -3.688 3.739 -0.254) 5.258 1.869 ( -3.334 0.135 -3.692) 4.977 2.001 ( -0.480 1.126 0.042) 1.225 2.046 ( -1.839 -3.077 1.371) 3.838 2.143 ( 3.458 -0.424 -0.024) 3.483 2.219 ( 2.921 1.384 1.564) 3.591 2.298 ( 7.949 -0.127 0.312) 7.956 2.428 ( 3.065 1.492 1.392) 3.682 2.523 ( 3.176 -1.747 -4.653) 5.898 2.555 ( 3.158 -0.043 -1.690) 3.582 2.649 ( 1.168 -2.108 1.418) 2.796 2.830 ( 1.240 -0.171 2.494) 2.790 2.912 ( 3.015 0.358 -1.770) 3.514 3.336 ( -4.772 0.590 -1.771) 5.124 3.448 ( -2.526 -0.688 -1.290) 2.918 3.592 ( 3.572 -0.209 -0.610) 3.630 3.664 ( 2.128 -0.107 3.651) 4.227 3.762 ( -1.691 1.071 0.268) 2.020 3.833 ( 3.383 -0.873 2.027) 4.040 4.040 ( -2.997 1.588 -0.767) 3.477 4.152 ( -4.102 2.248 4.876) 6.757 4.318 ( 0.794 -0.503 -0.410) 1.025 4.400 ( -3.896 -1.878 -5.866) 7.288 4.525 ( -0.621 0.494 -0.399) 0.889 4.635 ( -1.574 1.265 -6.206) 6.526 4.718 ( 1.713 -0.144 0.257) 1.738 4.780 ( -2.799 0.384 -1.309) 3.114 4.867 ( -2.647 0.449 5.296) 5.938 4.978 ( -1.736 -0.234 2.945) 3.427 5.171 ( -1.166 0.986 1.314) 2.015 5.307 ( 2.032 -0.732 3.740) 4.319 5.396 ( -5.297 -1.559 1.292) 5.671 5.535 ( 1.655 -0.276 0.741) 1.834 5.792 ( 6.638 2.339 -4.960) 8.610 5.843 ( 2.414 1.221 0.754) 2.809 6.117 ( 4.863 -2.633 -0.694) 5.573 6.180 ( 2.350 -1.788 3.188) 4.346 7.305 ( -1.580 0.137 2.626) 3.068 7.407 ( -1.129 -1.099 -6.392) 6.583 7.431 ( 2.413 -0.949 0.722) 2.692 7.486 ( 3.412 0.605 3.316) 4.796 7.881 ( -1.644 -0.123 -0.839) 1.850 8.144 ( 4.718 -5.945 3.059) 8.183 8.456 ( -0.544 -4.913 -6.069) 7.827 8.740 ( -2.439 -8.847 2.339) 9.471 10.108 ( -0.871 0.159 -0.643) 1.095 10.117 ( -0.403 -0.410 0.700) 0.906 10.165 ( -0.173 -0.241 -0.213) 0.365 10.170 ( 0.165 -0.197 0.178) 0.313 13.650 ( -1.681 2.688 0.571) 3.221 13.726 ( -0.389 2.825 -0.896) 2.989 13.852 ( -2.020 3.838 2.235) 4.879 13.941 ( 1.103 3.017 -3.307) 4.610 14.518 ( 1.784 0.844 -2.921) 3.525 14.669 ( -1.571 0.923 -0.774) 1.980 14.898 ( 2.216 1.154 5.880) 6.389 15.181 ( 8.316 -2.064 4.196) 9.540 15.338 ( -7.506 0.439 -3.728) 8.393 15.393 ( -2.527 0.099 1.037) 2.733 15.827 ( -2.443 -4.008 -5.420) 7.170 16.029 ( -2.318 -9.369 2.074) 9.872 ======================= Grid point 59 (27/60) ======================= q-point: ( 0.43 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 8.715 2.124 3.525) 9.638 1.035 ( 3.283 1.956 3.142) 4.948 1.173 ( 9.807 0.872 3.376) 10.408 1.225 ( -2.477 0.530 0.635) 2.612 1.284 ( -2.292 -2.014 -2.233) 3.781 1.444 ( -5.408 0.040 -1.548) 5.625 1.483 ( -0.722 1.650 -0.692) 1.930 1.500 ( -0.350 1.274 1.429) 1.946 1.598 ( -2.226 -0.391 1.341) 2.628 1.700 ( 3.870 0.059 -0.699) 3.933 1.765 ( 1.200 1.746 -3.092) 3.748 1.866 ( 6.204 -1.794 -1.574) 6.647 1.913 ( 4.065 0.233 0.643) 4.122 1.967 ( -2.233 -1.430 -3.125) 4.098 2.005 ( -1.065 -1.600 -0.674) 2.036 2.114 ( -2.913 -1.718 -0.902) 3.500 2.284 ( 0.461 1.734 4.661) 4.994 2.424 ( 3.306 1.434 2.121) 4.182 2.494 ( 1.212 1.197 -0.550) 1.790 2.525 ( 0.154 0.650 -1.757) 1.880 2.641 ( 3.404 -1.135 -0.007) 3.588 2.736 ( 3.683 -1.501 -2.167) 4.529 2.845 ( 0.141 0.016 2.466) 2.470 2.981 ( 3.400 -0.750 -4.222) 5.473 3.271 ( -0.783 0.602 -0.352) 1.048 3.394 ( -2.333 -0.538 -2.822) 3.701 3.647 ( 0.440 -0.829 1.081) 1.431 3.696 ( 1.215 0.486 2.046) 2.428 3.754 ( 1.349 1.283 0.114) 1.865 3.862 ( -0.768 -0.710 -0.394) 1.117 4.040 ( 2.903 0.842 3.801) 4.856 4.045 ( -5.836 2.022 5.826) 8.490 4.314 ( 0.067 -1.239 -5.615) 5.750 4.373 ( 1.102 -0.038 0.596) 1.253 4.481 ( -3.033 1.373 -5.739) 6.635 4.597 ( -2.003 -0.670 -6.360) 6.702 4.744 ( 0.408 0.446 1.419) 1.543 4.750 ( 0.296 0.230 0.531) 0.651 4.865 ( 1.124 0.007 3.924) 4.082 4.947 ( -1.497 -1.141 1.921) 2.690 5.174 ( 1.255 1.755 2.486) 3.291 5.276 ( -4.256 -0.410 -0.625) 4.321 5.367 ( 1.703 -1.018 5.744) 6.077 5.535 ( -1.276 -0.110 -0.016) 1.281 5.864 ( -0.408 1.713 0.471) 1.823 5.902 ( 3.484 1.942 -3.446) 5.271 6.195 ( 2.031 -2.580 0.831) 3.387 6.240 ( 3.131 -1.515 -2.196) 4.113 7.265 ( -2.225 1.005 1.615) 2.927 7.360 ( -1.684 0.016 -5.543) 5.793 7.491 ( 2.672 -0.149 3.858) 4.695 7.566 ( 4.311 -0.034 6.179) 7.535 7.837 ( -2.083 1.119 -1.074) 2.597 8.131 ( -4.443 -4.028 -2.918) 6.669 8.524 ( 6.317 -5.655 -2.365) 8.802 8.664 ( -4.978 -6.993 1.056) 8.648 10.099 ( 0.089 0.011 -0.285) 0.298 10.108 ( -0.649 -0.424 0.409) 0.877 10.162 ( 0.169 -0.255 -0.124) 0.330 10.172 ( -0.131 -0.320 0.087) 0.357 13.639 ( 0.524 1.816 0.801) 2.053 13.722 ( -0.091 2.355 -0.567) 2.424 13.806 ( -2.373 3.116 2.382) 4.584 13.950 ( 0.350 2.264 -3.611) 4.277 14.547 ( 0.984 -0.351 -0.744) 1.283 14.650 ( 0.160 1.719 -3.298) 3.723 14.932 ( 0.433 1.231 7.533) 7.645 15.214 ( -3.307 -0.228 -3.322) 4.693 15.299 ( 2.552 -1.599 2.304) 3.792 15.366 ( -0.515 0.454 1.364) 1.527 15.815 ( 1.781 -4.160 -1.857) 4.892 15.970 ( -3.405 -6.491 -1.658) 7.515 ======================= Grid point 60 (28/60) ======================= q-point: (-0.43 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -11.742 2.337 2.187) 12.170 1.064 ( -3.151 2.234 6.124) 7.240 1.140 ( -10.339 0.358 -0.594) 10.363 1.236 ( 7.165 -1.138 2.240) 7.593 1.325 ( -2.198 -0.015 1.929) 2.925 1.409 ( 2.949 2.176 -1.992) 4.172 1.442 ( -0.456 2.665 -2.873) 3.945 1.481 ( -1.000 2.477 -0.626) 2.744 1.635 ( 4.160 -0.282 0.082) 4.170 1.747 ( -1.766 -2.183 3.648) 4.604 1.812 ( 2.374 -2.777 -4.799) 6.032 1.843 ( -3.024 -0.948 -0.724) 3.251 1.927 ( -2.070 1.150 -2.745) 3.626 1.979 ( 1.115 -1.118 -0.844) 1.790 2.034 ( 2.219 -0.741 0.345) 2.365 2.049 ( -2.083 -1.713 -1.074) 2.902 2.313 ( 1.438 1.056 2.829) 3.345 2.374 ( -5.133 3.508 3.825) 7.300 2.479 ( -2.604 -0.354 -2.019) 3.314 2.525 ( -2.046 1.037 -1.070) 2.531 2.662 ( -1.326 -1.625 0.858) 2.266 2.720 ( -4.357 0.197 -2.854) 5.212 2.842 ( -0.788 -0.611 1.908) 2.153 3.009 ( -0.684 -1.697 -3.634) 4.068 3.308 ( 3.621 0.140 1.051) 3.774 3.358 ( -0.383 -0.152 -4.319) 4.338 3.622 ( -2.268 -1.239 1.674) 3.079 3.694 ( -2.129 -0.109 1.158) 2.426 3.813 ( 3.660 1.285 0.219) 3.885 3.841 ( -0.792 -0.365 -0.615) 1.067 3.965 ( -1.660 2.541 4.824) 5.699 4.130 ( 4.321 -0.031 6.389) 7.713 4.348 ( 3.255 -0.549 -5.853) 6.720 4.390 ( -0.133 0.216 -1.923) 1.940 4.424 ( -0.524 1.386 -2.503) 2.908 4.540 ( -2.320 -0.093 -6.108) 6.534 4.742 ( -1.134 0.367 0.333) 1.238 4.756 ( 0.278 0.323 0.518) 0.671 4.915 ( 3.017 -0.686 3.342) 4.554 4.931 ( 0.137 -1.287 1.996) 2.379 5.205 ( -1.449 0.290 -0.651) 1.615 5.226 ( 2.232 1.598 4.061) 4.902 5.420 ( 2.731 -1.497 5.125) 5.997 5.502 ( -1.559 0.143 -0.991) 1.853 5.817 ( -4.038 2.705 -1.100) 4.983 5.909 ( -2.508 1.320 -1.894) 3.408 6.195 ( -2.012 -2.119 -0.386) 2.948 6.289 ( 1.464 -2.792 -1.144) 3.354 7.228 ( -1.284 0.875 0.806) 1.750 7.342 ( 0.396 1.092 -2.676) 2.917 7.530 ( 0.254 0.356 3.872) 3.897 7.684 ( 5.646 -2.457 4.051) 7.370 7.815 ( 0.765 1.279 2.308) 2.747 8.033 ( -3.472 -1.824 -6.420) 7.523 8.536 ( -7.690 -7.973 -2.447) 11.344 8.646 ( 5.078 -5.419 1.351) 7.548 10.094 ( -0.452 -0.157 -0.125) 0.495 10.111 ( 1.021 -0.171 0.245) 1.064 10.165 ( -0.420 -0.329 -0.171) 0.561 10.170 ( 0.350 -0.306 0.139) 0.485 13.665 ( 1.600 1.320 0.516) 2.137 13.714 ( -0.803 2.039 0.297) 2.211 13.776 ( -0.403 4.307 1.275) 4.510 13.958 ( 1.004 1.740 -3.059) 3.660 14.554 ( 0.030 -0.906 -0.264) 0.944 14.668 ( 1.736 2.392 -4.350) 5.259 14.956 ( 1.631 0.507 9.262) 9.418 15.170 ( -1.820 -1.140 -3.872) 4.427 15.323 ( 0.065 -0.368 1.809) 1.847 15.375 ( 2.039 0.602 1.363) 2.525 15.877 ( -3.557 -5.583 -3.764) 7.615 15.883 ( 2.407 -5.017 0.100) 5.566 ======================= Grid point 61 (29/60) ======================= q-point: (-0.29 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( -13.664 3.433 3.765) 14.584 0.901 ( -12.283 4.251 8.083) 15.306 0.948 ( -7.482 4.700 2.775) 9.261 1.250 ( -4.435 -2.163 -1.572) 5.179 1.345 ( 1.060 -0.015 2.797) 2.991 1.404 ( -4.159 1.580 -5.169) 6.820 1.451 ( -1.150 1.175 -1.943) 2.545 1.468 ( -2.225 1.238 0.254) 2.559 1.511 ( -13.545 0.074 2.073) 13.702 1.709 ( 0.225 -0.036 -3.615) 3.623 1.745 ( -2.552 0.978 0.207) 2.741 1.877 ( -2.148 -1.435 -2.534) 3.619 1.953 ( 3.963 -0.114 0.773) 4.039 1.956 ( 2.191 -0.592 -3.307) 4.011 2.028 ( 0.318 -2.415 1.897) 3.087 2.132 ( 5.606 -0.245 1.985) 5.952 2.224 ( -10.266 1.144 1.651) 10.461 2.302 ( -1.947 2.711 -2.877) 4.407 2.413 ( -3.681 -1.689 3.152) 5.131 2.480 ( -3.750 0.626 -2.343) 4.466 2.541 ( -6.669 0.774 -3.423) 7.536 2.678 ( 1.763 -1.358 0.862) 2.386 2.828 ( -0.754 -1.016 1.803) 2.203 2.951 ( -4.146 -1.490 -1.228) 4.574 3.372 ( 2.194 0.119 -3.940) 4.512 3.395 ( 4.183 -0.194 0.849) 4.272 3.573 ( -2.167 -1.216 0.144) 2.489 3.646 ( -2.057 -0.777 2.977) 3.701 3.807 ( -2.878 -0.137 -0.897) 3.018 3.848 ( -0.344 0.556 3.036) 3.106 4.012 ( 4.652 2.442 0.666) 5.296 4.214 ( 3.395 -1.207 4.152) 5.497 4.369 ( 0.305 -0.341 -3.303) 3.334 4.428 ( 1.380 -0.922 1.777) 2.432 4.433 ( 2.263 2.897 -5.208) 6.374 4.517 ( 1.538 2.663 -4.770) 5.676 4.721 ( -0.519 -0.226 -0.006) 0.567 4.758 ( 0.049 0.464 0.406) 0.618 4.957 ( 3.045 -2.003 3.035) 4.743 5.003 ( 4.734 -0.592 2.204) 5.256 5.195 ( 0.914 0.457 -1.988) 2.235 5.280 ( 1.453 0.454 7.425) 7.580 5.464 ( -0.437 -2.254 1.551) 2.771 5.485 ( 0.946 -0.448 0.060) 1.048 5.711 ( -5.218 4.737 -2.862) 7.607 5.809 ( -6.337 1.019 -1.331) 6.555 6.120 ( -4.623 -1.941 0.424) 5.032 6.286 ( -1.983 -4.230 1.659) 4.958 7.217 ( -0.004 0.276 0.302) 0.409 7.357 ( 0.856 0.985 -0.801) 1.531 7.504 ( -2.776 -0.359 2.355) 3.658 7.747 ( 0.902 -1.404 -8.242) 8.409 7.889 ( 2.789 -3.321 8.092) 9.181 8.011 ( 3.180 1.236 1.379) 3.680 8.319 ( -13.669 -12.169 -5.812) 19.201 8.731 ( 2.945 -4.240 1.677) 5.428 10.095 ( 0.602 0.063 -0.131) 0.619 10.134 ( 0.880 -0.379 0.231) 0.985 10.157 ( -0.119 -0.115 -0.134) 0.213 10.174 ( -0.046 -0.232 0.058) 0.244 13.691 ( 0.392 1.854 -0.787) 2.052 13.702 ( 0.442 2.241 1.233) 2.596 13.792 ( 1.304 5.159 0.341) 5.332 13.988 ( 2.270 1.812 -2.105) 3.587 14.559 ( 0.871 -0.444 -2.062) 2.282 14.700 ( 1.697 2.224 -2.982) 4.088 15.040 ( 4.359 -1.098 11.237) 12.103 15.088 ( -4.190 -0.909 -0.908) 4.382 15.346 ( 1.537 -2.155 -1.136) 2.880 15.451 ( 4.865 1.789 1.054) 5.289 15.719 ( -9.554 -5.400 -7.777) 13.450 15.978 ( 4.417 -5.776 2.715) 7.762 ======================= Grid point 62 (30/60) ======================= q-point: (-0.14 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.391 ( -8.380 5.431 8.424) 13.065 0.670 ( -11.836 6.868 12.251) 18.367 0.784 ( -10.004 6.627 4.685) 12.882 0.990 ( -20.305 5.602 7.818) 22.468 1.130 ( -7.062 -1.013 -7.747) 10.532 1.326 ( -3.963 0.995 1.191) 4.256 1.383 ( -3.056 0.092 0.022) 3.058 1.416 ( -1.616 1.237 -0.854) 2.207 1.468 ( 0.737 -0.256 -7.235) 7.277 1.670 ( -0.519 0.777 -8.653) 8.704 1.756 ( -3.841 -0.682 3.947) 5.550 1.847 ( 4.423 -0.936 -1.551) 4.779 1.931 ( -3.964 -1.348 2.503) 4.878 1.992 ( -2.172 0.831 -0.504) 2.379 2.052 ( -0.660 -2.284 1.514) 2.819 2.107 ( 2.169 0.110 -2.039) 2.979 2.200 ( -8.147 -0.093 -0.562) 8.167 2.214 ( 0.261 1.717 -3.741) 4.125 2.340 ( 0.159 -2.004 2.457) 3.174 2.415 ( 0.948 0.884 1.691) 2.131 2.521 ( 2.744 1.453 -4.054) 5.106 2.741 ( 1.853 -1.688 1.956) 3.179 2.807 ( -1.463 -1.031 1.853) 2.576 2.855 ( -4.259 -0.682 -1.218) 4.482 3.427 ( 3.311 0.047 -1.959) 3.847 3.470 ( 2.617 -0.561 0.191) 2.684 3.546 ( -0.467 -1.136 -0.111) 1.233 3.629 ( 0.264 -0.446 4.356) 4.386 3.724 ( -5.012 -0.177 -0.073) 5.015 3.834 ( -0.881 -0.155 1.036) 1.369 4.099 ( 3.483 1.523 -0.357) 3.818 4.286 ( 2.779 -1.995 3.328) 4.773 4.348 ( -1.778 -0.330 -2.905) 3.422 4.439 ( -0.659 1.739 -4.049) 4.455 4.481 ( 3.106 0.284 3.354) 4.580 4.606 ( 6.276 4.253 -4.867) 9.009 4.724 ( 1.173 -1.204 -2.743) 3.217 4.760 ( -0.003 1.202 -0.358) 1.254 5.069 ( 5.878 -3.487 8.438) 10.859 5.132 ( 8.151 -1.071 0.111) 8.222 5.225 ( 1.578 0.117 -1.228) 2.003 5.283 ( -2.126 0.074 6.309) 6.658 5.424 ( -4.158 -2.403 -0.225) 4.808 5.470 ( -2.122 -1.544 -2.690) 3.758 5.644 ( -0.980 5.956 -2.459) 6.518 5.695 ( -2.997 0.867 -0.299) 3.134 6.062 ( 1.201 -3.508 6.259) 7.275 6.211 ( -5.078 -4.912 5.735) 9.099 7.210 ( -1.282 -1.360 -1.458) 2.370 7.366 ( 0.247 -0.840 0.026) 0.876 7.449 ( -2.389 -0.123 1.530) 2.839 7.637 ( -17.223 -7.282 -17.468) 25.589 7.890 ( -1.905 -4.832 1.012) 5.291 7.992 ( -10.883 -8.165 0.720) 13.625 8.157 ( 7.842 0.566 14.957) 16.897 8.770 ( 0.728 -2.679 -1.322) 3.075 10.115 ( 1.168 0.001 0.069) 1.171 10.142 ( 0.146 -0.317 -0.252) 0.430 10.163 ( 0.355 0.112 0.197) 0.421 10.171 ( -0.207 -0.076 -0.007) 0.220 13.700 ( 0.997 2.003 -0.696) 2.343 13.727 ( 1.598 2.752 0.618) 3.242 13.809 ( 0.341 5.180 -0.333) 5.202 14.050 ( 3.891 3.359 -4.157) 6.611 14.600 ( 3.686 0.148 -3.121) 4.832 14.729 ( 1.368 1.501 -0.730) 2.158 14.930 ( -7.570 -0.921 -0.524) 7.644 15.238 ( -17.265 -4.559 -14.788) 23.185 15.277 ( 14.056 -3.216 14.643) 20.551 15.528 ( 0.835 -1.247 -1.020) 1.814 15.578 ( 2.655 -0.360 6.533) 7.061 16.049 ( 1.600 -6.321 2.031) 6.829 ======================= Grid point 63 (31/60) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 2.716 10.963 4.663) 12.219 0.662 ( 0.326 8.987 6.584) 11.145 0.849 ( -3.795 11.803 10.439) 16.207 1.024 ( -1.253 8.244 -0.187) 8.341 1.039 ( 2.685 0.187 -6.894) 7.401 1.215 ( -1.211 -1.976 -0.372) 2.347 1.348 ( -1.122 0.023 2.003) 2.296 1.415 ( -0.640 0.921 -2.137) 2.413 1.524 ( 3.638 -1.009 -7.381) 8.290 1.589 ( -2.054 -2.321 -2.124) 3.757 1.745 ( 3.671 -0.809 4.045) 5.522 1.803 ( -3.283 -0.911 3.526) 4.903 1.906 ( 2.894 -3.469 -1.997) 4.940 1.942 ( -0.698 -2.347 -2.026) 3.178 1.995 ( -2.575 2.597 -2.276) 4.307 2.101 ( -0.084 2.190 0.174) 2.199 2.179 ( -1.233 1.638 -3.699) 4.229 2.224 ( 1.001 -1.052 -4.136) 4.383 2.337 ( 1.241 0.243 4.285) 4.468 2.430 ( -0.705 -1.734 1.284) 2.270 2.628 ( 3.841 -0.051 0.528) 3.877 2.641 ( -4.989 -1.032 1.280) 5.253 2.783 ( -1.004 0.265 -1.195) 1.583 2.822 ( 1.761 -1.008 -1.231) 2.373 3.467 ( 0.704 -1.350 0.008) 1.523 3.476 ( 0.700 -0.971 -0.334) 1.243 3.550 ( 1.686 0.313 2.086) 2.701 3.609 ( -3.643 -0.390 -0.332) 3.679 3.672 ( 1.473 0.993 3.390) 3.827 3.803 ( -0.379 -1.513 0.088) 1.562 4.187 ( 1.204 1.631 -0.983) 2.253 4.254 ( -1.995 -0.618 -0.961) 2.299 4.355 ( 0.151 1.802 -0.646) 1.920 4.425 ( -1.414 0.025 -2.862) 3.192 4.569 ( 2.324 1.253 2.940) 3.952 4.672 ( 0.997 -1.442 -0.341) 1.786 4.738 ( -3.403 2.623 -0.753) 4.362 4.891 ( 5.398 4.087 -7.518) 10.118 5.016 ( -3.883 -5.321 8.747) 10.950 5.156 ( -2.247 -1.494 1.865) 3.281 5.237 ( 0.200 1.224 -0.598) 1.377 5.279 ( -0.816 1.682 2.288) 2.955 5.365 ( 1.887 -0.998 1.158) 2.428 5.416 ( 1.440 -2.037 -2.171) 3.307 5.692 ( 1.010 0.574 0.252) 1.189 5.729 ( 1.080 3.091 -3.943) 5.125 5.929 ( -1.359 -6.135 3.240) 7.069 6.010 ( -1.856 -8.608 3.749) 9.571 7.085 ( 0.226 1.662 2.614) 3.105 7.259 ( -1.148 -1.307 -5.026) 5.318 7.347 ( 0.866 -1.283 0.099) 1.551 7.400 ( -1.250 -1.514 -1.380) 2.400 7.846 ( 0.852 -0.303 1.656) 1.887 7.895 ( -0.727 -1.050 -0.633) 1.425 8.336 ( 4.076 1.838 10.657) 11.557 8.651 ( -1.294 -6.406 -3.768) 7.544 10.130 ( 0.088 0.027 0.212) 0.231 10.141 ( -0.054 -0.167 -0.224) 0.284 10.164 ( 0.019 -0.070 0.062) 0.095 10.170 ( -0.039 -0.058 -0.142) 0.158 13.783 ( 1.587 2.801 0.498) 3.258 13.797 ( -1.384 2.576 -0.164) 2.928 13.908 ( 1.052 3.358 1.510) 3.830 14.138 ( 0.686 -1.289 -9.685) 9.794 14.678 ( -6.902 2.593 4.563) 8.671 14.759 ( 4.111 0.031 0.111) 4.112 14.805 ( -2.467 2.831 -0.769) 3.833 14.926 ( -4.908 2.168 -7.211) 8.988 15.426 ( 3.958 -1.974 3.855) 5.867 15.544 ( 7.243 -6.014 9.218) 13.175 15.608 ( -0.924 -0.156 1.038) 1.398 15.877 ( -2.502 -7.502 -2.962) 8.445 ======================= Grid point 64 (32/60) ======================= q-point: ( 0.14 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 6.692 8.539 6.161) 12.476 0.792 ( 5.675 10.249 4.964) 12.724 0.955 ( 11.788 5.912 3.574) 13.663 1.037 ( 3.403 3.675 -0.859) 5.082 1.231 ( 13.343 0.807 -5.065) 14.295 1.263 ( 6.809 1.296 2.073) 7.234 1.353 ( 1.544 -0.930 1.708) 2.483 1.397 ( -1.118 -1.202 -1.405) 2.161 1.566 ( 1.669 -2.721 -2.436) 4.015 1.606 ( 3.358 0.629 -4.878) 5.955 1.722 ( -3.203 -0.093 3.140) 4.486 1.867 ( 3.084 -1.334 0.284) 3.372 1.960 ( -0.148 0.818 -1.007) 1.306 1.968 ( 3.140 -1.199 1.598) 3.721 2.023 ( 4.242 -0.078 -3.514) 5.509 2.070 ( 1.105 1.946 -2.620) 3.445 2.169 ( 1.172 1.097 -1.178) 1.991 2.204 ( -1.125 0.143 1.535) 1.909 2.380 ( 1.343 -0.429 2.908) 3.231 2.425 ( 1.889 -2.429 -1.838) 3.584 2.549 ( -3.044 0.283 -1.806) 3.551 2.642 ( -2.326 -1.803 1.854) 3.478 2.797 ( 2.040 0.781 0.232) 2.197 2.862 ( 2.247 -0.664 -0.799) 2.476 3.441 ( -3.168 -0.588 -1.091) 3.401 3.472 ( -1.992 -1.417 -0.145) 2.449 3.550 ( 0.368 1.081 -0.930) 1.472 3.600 ( 2.492 -0.247 3.468) 4.277 3.736 ( 3.517 -0.113 2.235) 4.169 3.799 ( -0.194 -0.844 -0.262) 0.904 4.165 ( -3.830 1.596 -0.424) 4.171 4.219 ( -0.249 0.856 0.368) 0.964 4.341 ( -1.372 1.790 -0.149) 2.260 4.406 ( -0.703 -1.413 -3.283) 3.643 4.590 ( -1.962 1.562 0.879) 2.658 4.665 ( -0.717 1.758 -1.375) 2.344 4.695 ( 0.533 -1.706 -1.047) 2.072 4.864 ( -5.904 -1.336 -0.263) 6.059 4.958 ( -1.345 1.870 -1.487) 2.741 5.055 ( -6.548 0.069 4.815) 8.128 5.231 ( -1.808 1.767 0.358) 2.553 5.277 ( 1.490 1.660 2.381) 3.263 5.417 ( -1.609 -2.805 1.022) 3.391 5.444 ( 4.337 -1.633 -0.568) 4.669 5.739 ( 4.207 2.398 -1.072) 4.960 5.796 ( 4.585 1.810 -2.367) 5.468 5.960 ( 3.756 -3.562 1.734) 5.459 6.029 ( 3.204 -6.681 3.808) 8.331 7.231 ( 8.135 -1.305 0.639) 8.264 7.315 ( 6.014 -1.564 -2.430) 6.672 7.385 ( 1.069 -1.746 -3.567) 4.113 7.388 ( 2.052 -1.396 0.966) 2.663 7.878 ( -0.523 -0.912 -0.323) 1.100 7.890 ( 3.723 -3.145 1.266) 5.035 8.392 ( -0.141 -1.379 8.133) 8.250 8.599 ( -2.675 -6.570 -3.360) 7.849 10.122 ( -0.677 0.007 0.365) 0.769 10.131 ( -0.776 -0.085 -0.405) 0.879 10.163 ( -0.140 -0.069 -0.017) 0.157 10.168 ( -0.115 -0.146 -0.007) 0.186 13.753 ( -2.207 2.741 -0.349) 3.536 13.799 ( -0.533 2.155 1.082) 2.470 13.944 ( 1.981 3.355 -0.139) 3.899 14.082 ( -4.697 2.527 -5.454) 7.629 14.557 ( -2.294 3.411 -0.346) 4.125 14.704 ( -2.722 -0.715 2.599) 3.831 14.888 ( 2.522 3.068 -0.283) 3.981 14.972 ( 7.968 0.141 0.812) 8.011 15.441 ( -1.504 -0.169 2.399) 2.837 15.507 ( -6.386 0.662 -4.410) 7.789 15.729 ( 5.298 -9.975 8.118) 13.909 15.799 ( -3.582 -7.230 -4.203) 9.098 ======================= Grid point 65 (33/60) ======================= q-point: ( 0.29 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 8.421 6.023 5.585) 11.763 0.975 ( 11.567 6.204 2.926) 13.449 1.056 ( 2.410 5.781 1.146) 6.367 1.189 ( 5.620 -2.458 -0.937) 6.205 1.322 ( -2.353 0.669 -1.058) 2.666 1.394 ( 3.409 -1.168 0.513) 3.640 1.434 ( 5.509 -4.124 -0.503) 6.900 1.521 ( 7.598 2.642 -0.351) 8.052 1.576 ( -0.936 0.443 1.486) 1.811 1.675 ( 2.856 -0.006 -1.494) 3.223 1.748 ( 6.838 0.583 -2.228) 7.216 1.856 ( -3.617 0.814 1.877) 4.156 1.882 ( -2.728 1.159 -3.800) 4.819 1.976 ( -1.576 -1.993 -0.787) 2.660 2.019 ( -3.646 0.621 0.187) 3.704 2.114 ( -0.571 -1.905 -0.869) 2.170 2.275 ( 6.698 3.437 1.380) 7.653 2.309 ( 8.559 1.227 1.257) 8.738 2.448 ( 5.552 -0.333 2.175) 5.972 2.481 ( 3.051 -1.910 -4.815) 6.011 2.548 ( 3.846 -0.456 -0.800) 3.955 2.598 ( -0.724 -2.274 0.881) 2.544 2.834 ( 1.570 0.686 0.951) 1.959 2.912 ( 2.533 -0.441 -1.059) 2.781 3.351 ( -4.318 0.761 -1.307) 4.575 3.424 ( -2.432 -1.393 -0.712) 2.892 3.596 ( 3.368 0.648 -1.543) 3.761 3.656 ( 2.288 -0.669 2.751) 3.640 3.782 ( -0.385 0.673 0.287) 0.828 3.815 ( 2.570 -0.706 1.646) 3.133 4.086 ( -3.167 2.399 0.508) 4.005 4.186 ( -4.008 0.398 2.915) 4.972 4.313 ( -0.968 0.415 -2.087) 2.338 4.370 ( -1.543 -0.943 -3.659) 4.081 4.546 ( -1.148 1.479 -0.719) 2.005 4.647 ( -2.882 -0.188 -4.187) 5.086 4.710 ( 1.865 -0.293 1.033) 2.152 4.778 ( -2.283 -0.721 1.173) 2.667 4.893 ( -3.152 1.690 1.542) 3.895 4.968 ( -2.841 -0.713 2.133) 3.623 5.204 ( -0.357 2.015 0.084) 2.048 5.309 ( 0.584 0.925 1.195) 1.620 5.361 ( -3.004 -1.377 3.215) 4.610 5.511 ( 1.737 -2.056 -0.625) 2.763 5.856 ( 6.299 3.431 -1.947) 7.432 5.876 ( 3.082 1.861 -0.508) 3.636 6.053 ( 4.645 -3.095 0.877) 5.650 6.118 ( 4.235 -3.742 0.892) 5.721 7.313 ( 0.654 0.744 2.182) 2.396 7.381 ( 0.013 -1.140 -6.735) 6.831 7.412 ( 2.923 -0.666 0.636) 3.064 7.485 ( 4.767 -1.060 3.540) 6.032 7.875 ( 0.035 -0.346 -0.191) 0.397 7.997 ( 5.099 -6.387 0.774) 8.209 8.358 ( -2.024 -3.333 -1.137) 4.061 8.551 ( -2.184 -8.181 1.370) 8.577 10.110 ( -0.529 -0.148 0.508) 0.748 10.112 ( -0.934 0.068 -0.529) 1.076 10.160 ( -0.229 -0.218 -0.112) 0.335 10.165 ( -0.082 -0.303 0.133) 0.341 13.713 ( -1.743 3.045 0.833) 3.606 13.777 ( -1.123 1.783 0.971) 2.320 13.951 ( -2.324 4.419 -1.010) 5.094 14.003 ( -0.993 2.322 -2.724) 3.714 14.551 ( 0.764 2.129 -0.554) 2.329 14.677 ( -0.741 -0.385 1.778) 1.965 14.940 ( 2.234 2.689 2.485) 4.289 15.128 ( 5.799 -2.707 2.896) 7.024 15.360 ( -6.093 1.713 -4.845) 7.971 15.401 ( -1.942 0.715 1.105) 2.346 15.717 ( -2.042 -5.692 -4.112) 7.312 15.810 ( 0.906 -9.932 2.884) 10.381 ======================= Grid point 66 (34/60) ======================= q-point: ( 0.43 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 8.956 3.755 3.470) 10.313 1.089 ( -0.074 2.783 3.589) 4.542 1.193 ( -0.847 0.837 3.582) 3.775 1.250 ( -0.952 -1.323 0.023) 1.630 1.256 ( 6.973 2.537 -3.141) 8.057 1.434 ( -2.351 -1.048 -0.960) 2.747 1.478 ( 2.845 0.351 -0.369) 2.890 1.560 ( -0.058 -1.874 0.318) 1.902 1.587 ( -0.626 3.993 1.730) 4.396 1.732 ( 1.033 2.073 -0.744) 2.433 1.798 ( 1.530 -0.648 -0.964) 1.921 1.826 ( -1.596 -0.269 -0.865) 1.835 1.884 ( 1.884 -2.390 -2.213) 3.763 1.931 ( -3.297 -1.543 -0.460) 3.669 1.988 ( 2.182 -0.281 -1.095) 2.457 2.069 ( -2.650 -2.264 0.126) 3.488 2.341 ( 0.344 3.399 1.159) 3.607 2.459 ( 5.498 1.549 -1.058) 5.809 2.519 ( -1.910 0.749 0.030) 2.052 2.538 ( 3.535 0.890 0.062) 3.646 2.611 ( 2.835 -1.658 1.070) 3.454 2.692 ( 5.281 -2.491 -1.194) 5.960 2.856 ( 0.025 1.033 1.104) 1.512 2.957 ( 1.770 -1.452 -3.067) 3.827 3.289 ( -1.065 1.030 -0.523) 1.571 3.376 ( -1.966 -1.173 -1.879) 2.962 3.643 ( -0.045 0.385 -0.477) 0.614 3.694 ( 1.277 -0.502 0.514) 1.465 3.786 ( 1.510 1.495 0.523) 2.188 3.847 ( 0.047 -0.689 1.788) 1.917 4.066 ( 1.481 1.381 3.055) 3.666 4.083 ( -4.957 1.265 2.577) 5.729 4.299 ( 0.642 0.066 -3.933) 3.986 4.368 ( 1.114 -0.492 0.676) 1.393 4.511 ( -2.673 1.346 -4.628) 5.511 4.578 ( -2.600 -1.032 -5.299) 5.992 4.746 ( 1.156 -0.111 1.866) 2.198 4.759 ( -0.187 0.280 1.605) 1.640 4.868 ( 0.208 0.246 2.230) 2.253 4.919 ( -1.899 -1.283 1.684) 2.844 5.214 ( 0.869 1.749 1.823) 2.671 5.272 ( -2.727 0.011 -0.388) 2.754 5.358 ( 1.401 0.556 3.658) 3.956 5.516 ( -0.771 -1.758 -1.304) 2.321 5.915 ( 0.572 2.896 0.500) 2.993 5.956 ( 2.741 2.896 -1.674) 4.324 6.131 ( 2.294 -3.202 0.920) 4.045 6.186 ( 2.267 -3.373 -1.534) 4.344 7.300 ( -1.642 2.242 1.413) 3.118 7.365 ( -0.287 0.476 -4.745) 4.778 7.481 ( 3.531 -0.714 2.944) 4.652 7.557 ( 2.103 -1.071 3.643) 4.341 7.867 ( -0.801 1.602 -0.241) 1.807 8.029 ( -1.698 -4.758 -1.424) 5.249 8.382 ( 4.519 -6.446 -1.761) 8.067 8.490 ( -4.290 -8.328 1.021) 9.424 10.099 ( -0.140 -0.007 -0.270) 0.304 10.100 ( -0.487 -0.232 0.276) 0.606 10.156 ( 0.052 -0.263 -0.034) 0.271 10.163 ( -0.141 -0.435 0.080) 0.464 13.692 ( -0.227 2.820 1.902) 3.409 13.763 ( -0.581 1.315 2.072) 2.522 13.897 ( -1.863 4.521 -1.882) 5.239 13.995 ( -0.043 1.558 -3.729) 4.042 14.565 ( 0.205 1.893 2.065) 2.809 14.670 ( 0.324 0.104 -0.645) 0.729 14.972 ( 0.479 2.541 3.782) 4.582 15.178 ( -1.045 -2.986 -1.166) 3.371 15.301 ( 1.067 1.835 -0.549) 2.192 15.378 ( -0.542 0.775 0.804) 1.241 15.702 ( 1.012 -5.818 -1.751) 6.159 15.800 ( -1.873 -8.522 -1.116) 8.796 ======================= Grid point 67 (35/60) ======================= q-point: (-0.43 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -10.465 3.821 2.113) 11.339 1.100 ( -3.426 0.601 5.105) 6.177 1.169 ( -4.344 2.518 -2.220) 5.490 1.222 ( 6.482 0.023 3.020) 7.151 1.354 ( -2.686 2.465 1.879) 4.101 1.445 ( 1.162 1.229 -1.490) 2.254 1.490 ( 1.302 1.836 -0.704) 2.359 1.555 ( -1.352 3.695 -0.796) 4.014 1.608 ( 2.281 -2.265 -0.304) 3.228 1.725 ( -2.532 -1.065 1.722) 3.242 1.750 ( -2.205 -1.335 -0.665) 2.662 1.828 ( 1.088 -0.340 -3.072) 3.276 1.911 ( 1.416 -2.506 -1.875) 3.435 1.948 ( 2.804 -1.894 -1.448) 3.681 2.005 ( -0.923 -1.170 -0.616) 1.613 2.023 ( -1.121 -1.024 1.894) 2.427 2.360 ( 1.421 3.015 -0.647) 3.395 2.456 ( -4.136 3.114 1.202) 5.315 2.485 ( -3.526 1.386 -0.514) 3.823 2.542 ( -2.296 0.605 -0.394) 2.406 2.625 ( -1.527 -1.879 1.414) 2.804 2.707 ( -3.752 -1.521 -1.982) 4.508 2.838 ( -1.447 0.485 1.348) 2.036 2.962 ( -1.113 -2.516 -2.912) 4.007 3.313 ( 2.931 0.342 0.431) 2.982 3.351 ( 0.133 -0.478 -3.041) 3.081 3.607 ( -2.611 -0.058 0.817) 2.737 3.677 ( -2.941 -1.325 -0.010) 3.225 3.834 ( 1.215 0.475 0.376) 1.358 3.846 ( 0.714 0.666 1.235) 1.574 4.031 ( 0.253 3.351 1.299) 3.603 4.136 ( 3.866 0.428 5.115) 6.426 4.338 ( 2.714 -0.131 -3.542) 4.464 4.392 ( 0.496 -0.161 1.476) 1.566 4.457 ( -0.383 1.483 -5.229) 5.448 4.531 ( -0.764 -0.777 -5.549) 5.655 4.747 ( -1.218 0.218 1.251) 1.760 4.766 ( 0.335 0.353 1.239) 1.332 4.891 ( 0.849 -1.188 0.985) 1.761 4.909 ( 1.483 -0.958 3.139) 3.602 5.216 ( -1.019 0.791 -0.550) 1.402 5.252 ( 1.063 0.576 3.122) 3.348 5.398 ( 1.722 -0.140 2.908) 3.382 5.494 ( -0.793 -0.954 -1.851) 2.228 5.894 ( -2.546 4.188 0.087) 4.902 5.950 ( -3.051 2.446 -1.176) 4.083 6.136 ( -1.906 -3.164 0.368) 3.712 6.208 ( -0.046 -4.494 -1.094) 4.625 7.263 ( -1.717 2.486 0.303) 3.036 7.371 ( 1.052 1.457 -2.296) 2.915 7.531 ( -0.312 -0.391 2.297) 2.351 7.608 ( 3.261 -4.371 2.944) 6.197 7.853 ( -0.382 2.116 1.298) 2.511 7.990 ( -0.751 -1.877 -3.106) 3.706 8.357 ( -8.356 -7.394 -1.261) 11.229 8.491 ( 4.883 -8.324 0.679) 9.674 10.092 ( -0.129 0.014 -0.019) 0.131 10.106 ( 0.785 -0.256 0.025) 0.826 10.158 ( -0.228 -0.264 -0.087) 0.360 10.162 ( 0.292 -0.428 0.132) 0.534 13.709 ( 1.433 2.414 1.876) 3.377 13.755 ( -0.368 1.615 2.553) 3.043 13.880 ( 0.463 4.778 -2.419) 5.375 13.995 ( 0.711 1.345 -3.624) 3.930 14.566 ( 0.015 1.892 2.178) 2.885 14.694 ( 1.770 -0.066 -1.123) 2.098 14.982 ( 0.561 1.951 5.207) 5.588 15.137 ( -2.569 -1.936 -2.718) 4.212 15.328 ( 0.175 1.147 0.301) 1.199 15.394 ( 3.004 1.193 0.654) 3.298 15.728 ( -4.815 -7.509 -3.747) 9.675 15.749 ( 3.176 -6.962 0.645) 7.679 ======================= Grid point 68 (36/60) ======================= q-point: (-0.29 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -10.701 6.843 2.606) 12.967 0.991 ( -6.754 3.013 3.939) 8.379 1.076 ( -4.519 6.669 1.961) 8.291 1.233 ( -7.270 1.423 2.156) 7.715 1.345 ( 3.850 -0.194 1.473) 4.127 1.443 ( -0.288 1.142 -5.298) 5.428 1.473 ( -6.304 0.602 1.209) 6.447 1.478 ( -8.755 1.467 -1.668) 9.033 1.536 ( -5.572 0.788 0.911) 5.701 1.690 ( -1.848 -3.133 -4.707) 5.948 1.724 ( -0.114 -1.087 3.569) 3.733 1.849 ( -0.577 -1.324 -1.821) 2.324 1.951 ( -2.185 -0.128 1.260) 2.525 1.957 ( 1.384 0.542 -2.725) 3.104 1.979 ( 4.935 -1.544 -1.401) 5.357 2.108 ( 7.155 -1.815 0.373) 7.391 2.276 ( -11.755 2.946 2.858) 12.451 2.365 ( -3.246 3.043 -3.081) 5.412 2.391 ( -5.362 -0.083 2.465) 5.902 2.480 ( -4.949 -0.355 -1.214) 5.108 2.557 ( -2.825 0.331 -2.165) 3.575 2.639 ( 1.014 -2.146 0.380) 2.404 2.813 ( -1.170 -0.120 1.599) 1.985 2.910 ( -3.366 -2.175 -1.282) 4.207 3.374 ( 2.280 0.019 -2.740) 3.564 3.388 ( 3.770 -0.469 0.428) 3.823 3.553 ( -2.271 -0.416 0.036) 2.309 3.622 ( -1.856 -1.471 2.094) 3.161 3.810 ( -2.775 0.400 -0.447) 2.840 3.854 ( -1.035 -0.131 1.519) 1.842 4.086 ( 3.733 4.198 0.823) 5.678 4.210 ( 2.876 0.526 2.333) 3.740 4.360 ( -0.236 -0.483 -3.256) 3.300 4.401 ( 1.424 -1.456 0.025) 2.036 4.492 ( 2.597 2.423 -2.948) 4.616 4.576 ( 5.768 2.175 -2.828) 6.782 4.711 ( -2.119 -0.120 0.414) 2.162 4.773 ( 0.557 0.607 1.006) 1.300 4.914 ( 2.013 -1.696 1.449) 3.004 4.977 ( 4.279 -1.882 2.382) 5.246 5.209 ( 0.684 0.922 -2.171) 2.456 5.284 ( 1.162 -0.285 4.695) 4.845 5.413 ( -0.823 -1.425 2.293) 2.822 5.480 ( -0.829 -0.750 -1.387) 1.781 5.824 ( -3.846 5.245 -1.016) 6.582 5.846 ( -6.165 2.572 -1.024) 6.758 6.064 ( -4.624 -3.173 0.687) 5.650 6.173 ( -3.375 -5.849 0.641) 6.783 7.234 ( -1.320 1.434 0.008) 1.949 7.377 ( -0.969 0.451 -1.237) 1.634 7.490 ( -2.816 -0.869 0.767) 3.046 7.654 ( -1.071 -6.924 -1.703) 7.210 7.848 ( -0.750 -0.121 2.481) 2.595 7.984 ( -2.132 -3.700 0.214) 4.276 8.176 ( -5.261 0.001 -0.791) 5.320 8.584 ( 4.006 -8.616 0.755) 9.532 10.098 ( 0.684 0.228 0.030) 0.722 10.124 ( 0.763 -0.459 -0.051) 0.892 10.157 ( 0.219 0.028 -0.053) 0.227 10.166 ( 0.098 -0.404 0.074) 0.422 13.739 ( 0.949 2.460 0.271) 2.651 13.758 ( 0.757 2.434 1.864) 3.158 13.901 ( 1.262 4.600 -1.603) 5.032 14.026 ( 2.859 1.321 -2.345) 3.927 14.579 ( 1.183 2.224 0.105) 2.521 14.726 ( 1.267 0.001 0.053) 1.268 15.024 ( 0.773 -0.191 5.584) 5.640 15.065 ( -1.756 -1.159 1.112) 2.380 15.322 ( -0.728 0.062 -3.044) 3.131 15.482 ( 4.327 0.923 -0.742) 4.486 15.593 ( -7.007 -5.397 -2.827) 9.285 15.825 ( 3.752 -7.780 1.265) 8.729 ======================= Grid point 69 (37/60) ======================= q-point: (-0.14 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( -5.316 10.205 3.771) 12.108 0.832 ( -10.568 7.303 5.511) 13.978 0.969 ( -6.805 9.999 5.118) 13.133 1.099 ( -5.392 -1.295 -3.843) 6.747 1.139 ( -13.058 7.295 3.277) 15.313 1.342 ( -10.382 -0.457 -0.138) 10.393 1.386 ( -2.152 0.093 2.190) 3.072 1.431 ( -0.438 -0.095 -1.955) 2.005 1.460 ( 2.443 -0.129 -6.423) 6.873 1.637 ( -1.491 -4.265 -3.721) 5.853 1.745 ( -1.402 -0.142 2.807) 3.141 1.824 ( 0.062 -1.189 -0.920) 1.504 1.898 ( -2.607 -0.758 0.570) 2.774 2.001 ( -2.650 -1.926 0.654) 3.340 2.037 ( 1.795 2.614 -2.761) 4.204 2.124 ( -1.018 1.109 -0.916) 1.762 2.186 ( -7.122 -1.380 -0.911) 7.312 2.230 ( 2.069 -0.305 -2.489) 3.251 2.320 ( -1.193 0.633 2.085) 2.484 2.425 ( 0.221 0.024 1.646) 1.661 2.556 ( 2.004 1.563 -2.590) 3.629 2.693 ( 1.367 -2.646 2.122) 3.657 2.790 ( -0.855 -0.383 0.722) 1.183 2.837 ( -2.904 -0.914 -1.553) 3.417 3.425 ( 2.660 -0.228 -1.404) 3.016 3.454 ( 2.213 -0.937 0.213) 2.413 3.529 ( 0.025 -0.142 0.266) 0.303 3.611 ( 0.557 -1.274 3.149) 3.443 3.730 ( -4.575 0.849 0.478) 4.677 3.823 ( -1.595 -0.928 0.627) 1.949 4.150 ( 2.392 2.946 -0.536) 3.832 4.261 ( 1.383 -0.656 0.537) 1.622 4.348 ( 0.122 0.445 -1.956) 2.009 4.444 ( 1.170 -1.007 -1.567) 2.200 4.522 ( 1.304 3.010 0.312) 3.295 4.673 ( -1.119 -0.628 -0.397) 1.343 4.724 ( 7.179 4.074 -3.045) 8.799 4.790 ( 1.220 1.278 -0.735) 1.913 4.988 ( 4.002 -3.751 7.280) 9.115 5.091 ( 6.543 -2.957 -1.230) 7.285 5.230 ( 1.006 0.468 -1.662) 1.998 5.296 ( -0.682 0.742 4.248) 4.366 5.378 ( -2.328 -1.423 1.454) 3.091 5.439 ( -2.813 -1.316 -1.518) 3.457 5.720 ( -4.179 2.002 -0.305) 4.644 5.758 ( -2.799 4.408 -2.683) 5.870 5.976 ( -3.487 -4.369 3.098) 6.391 6.082 ( -4.945 -6.514 1.974) 8.413 7.185 ( -4.461 -0.571 0.278) 4.506 7.335 ( -2.152 -2.641 -0.735) 3.485 7.438 ( -2.285 -1.029 -0.227) 2.517 7.462 ( -14.532 -5.323 -5.486) 16.420 7.836 ( -0.103 -0.075 1.497) 1.503 7.913 ( -1.640 -2.053 0.179) 2.633 8.220 ( 5.398 4.107 7.260) 9.936 8.648 ( 1.915 -7.556 -1.234) 7.892 10.117 ( 0.972 0.167 0.174) 1.001 10.136 ( 0.442 -0.273 -0.214) 0.562 10.163 ( 0.152 -0.059 -0.019) 0.164 10.168 ( 0.144 -0.150 -0.004) 0.208 13.754 ( 0.997 2.769 -0.509) 2.986 13.789 ( 1.577 2.484 1.220) 3.185 13.907 ( -0.481 4.089 -0.570) 4.156 14.097 ( 3.611 0.389 -4.179) 5.536 14.629 ( 4.299 2.381 -1.705) 5.201 14.743 ( -0.021 -0.036 2.533) 2.533 14.927 ( -6.202 0.739 -0.885) 6.308 15.119 ( -4.658 -4.557 -0.491) 6.535 15.278 ( 2.627 1.136 1.316) 3.150 15.470 ( -0.485 -3.650 2.302) 4.342 15.589 ( 2.932 1.315 0.863) 3.327 15.887 ( 1.680 -7.936 -0.100) 8.113 ======================= Grid point 70 (38/60) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 2.915 8.367 -1.574) 8.999 0.820 ( 0.097 4.723 1.175) 4.868 0.995 ( -0.606 0.035 -2.040) 2.129 1.045 ( -2.013 -3.174 1.261) 3.964 1.141 ( -0.915 9.155 0.192) 9.202 1.259 ( -0.581 3.706 1.043) 3.894 1.335 ( -2.521 -1.829 6.856) 7.530 1.374 ( -1.782 -4.921 -2.350) 5.737 1.490 ( 2.511 1.095 -2.347) 3.607 1.547 ( 2.679 -2.922 0.772) 4.038 1.751 ( 1.194 1.575 2.346) 3.067 1.792 ( -0.251 -1.112 2.497) 2.744 1.846 ( -0.100 -0.790 -2.210) 2.349 1.880 ( -1.503 -2.821 -2.852) 4.283 2.070 ( 0.731 3.636 -2.103) 4.264 2.130 ( 1.835 -1.026 -1.748) 2.734 2.199 ( -1.482 0.296 -3.970) 4.248 2.208 ( -1.431 0.572 -2.818) 3.212 2.351 ( 1.094 0.956 3.797) 4.065 2.384 ( -0.767 -2.163 2.500) 3.394 2.627 ( 0.464 -0.015 0.565) 0.731 2.629 ( -2.463 -0.230 0.842) 2.613 2.788 ( 0.324 0.339 -1.656) 1.721 2.801 ( 1.390 -0.881 -1.624) 2.312 3.448 ( 0.379 -0.292 0.439) 0.649 3.455 ( 0.343 -0.797 0.316) 0.923 3.564 ( 1.100 0.985 1.134) 1.862 3.589 ( -0.400 -1.221 0.399) 1.346 3.711 ( -0.310 2.330 1.668) 2.882 3.762 ( -0.521 -2.235 0.623) 2.378 4.217 ( 0.118 1.208 -1.758) 2.136 4.239 ( -0.526 -0.842 -1.863) 2.111 4.394 ( 0.126 1.684 -0.268) 1.710 4.420 ( -0.970 -0.668 -1.294) 1.750 4.602 ( 1.160 1.737 1.278) 2.449 4.638 ( 0.672 -1.632 0.107) 1.768 4.806 ( -3.480 3.554 2.898) 5.757 4.892 ( -2.685 -4.358 6.294) 8.113 5.001 ( 4.224 4.468 -5.445) 8.213 5.098 ( 1.706 -3.943 -2.288) 4.867 5.270 ( 1.456 1.713 0.492) 2.301 5.298 ( 0.797 -0.435 0.968) 1.327 5.355 ( -0.473 0.496 2.252) 2.354 5.378 ( -0.683 -1.423 0.098) 1.581 5.725 ( 0.304 2.665 0.489) 2.726 5.785 ( -0.375 1.040 -1.709) 2.036 5.816 ( -0.003 -2.914 0.055) 2.915 5.873 ( -1.423 -4.670 -0.295) 4.891 7.136 ( 0.797 3.048 1.450) 3.468 7.207 ( 0.387 -3.290 -0.904) 3.434 7.341 ( -0.856 0.678 -2.129) 2.393 7.366 ( -1.423 -1.512 -2.150) 2.988 7.854 ( 0.017 0.828 0.877) 1.206 7.874 ( -0.338 -0.945 0.017) 1.004 8.401 ( 1.713 4.186 4.383) 6.298 8.513 ( -0.154 -6.127 -0.497) 6.149 10.132 ( 0.026 0.176 0.116) 0.213 10.137 ( -0.025 -0.200 -0.044) 0.206 10.163 ( 0.026 0.064 -0.067) 0.096 10.166 ( -0.005 -0.187 -0.171) 0.254 13.832 ( 0.711 1.470 0.614) 1.744 13.838 ( -0.401 0.969 0.531) 1.176 13.983 ( 0.573 3.868 -0.557) 3.950 14.072 ( 0.512 -4.116 -4.238) 5.930 14.725 ( -3.403 1.687 1.998) 4.292 14.751 ( 0.028 -0.783 0.510) 0.935 14.879 ( -0.574 3.612 -1.047) 3.805 14.936 ( -2.505 -1.307 -3.910) 4.824 15.404 ( 4.472 0.228 5.297) 6.936 15.442 ( 4.390 -3.254 7.213) 9.049 15.643 ( -1.914 2.943 -2.757) 4.463 15.734 ( -2.035 -5.580 -3.355) 6.821 ======================= Grid point 71 (39/60) ======================= q-point: ( 0.14 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 4.684 8.479 1.059) 9.744 0.972 ( 9.082 -0.245 -3.487) 9.732 1.019 ( 2.047 5.784 6.651) 9.049 1.112 ( 6.267 0.859 -6.124) 8.805 1.232 ( 7.407 0.898 3.867) 8.404 1.301 ( 0.824 -1.407 3.840) 4.172 1.316 ( 5.015 -0.159 0.954) 5.107 1.353 ( 2.779 -1.682 -1.623) 3.632 1.557 ( 3.715 1.168 -1.438) 4.152 1.591 ( 1.706 -1.659 -1.606) 2.871 1.745 ( -1.357 2.300 3.049) 4.054 1.812 ( 0.206 -3.506 1.299) 3.744 1.930 ( 6.694 -0.124 -2.798) 7.256 1.950 ( 5.627 -1.502 -3.800) 6.954 2.079 ( -2.361 3.221 -0.360) 4.010 2.119 ( -1.009 0.874 -0.709) 1.512 2.169 ( 2.050 0.341 -1.764) 2.725 2.201 ( 2.860 -0.948 -0.334) 3.032 2.371 ( 0.561 -0.191 2.937) 2.996 2.382 ( 0.456 -1.329 -0.168) 1.415 2.568 ( -2.423 1.368 -0.264) 2.795 2.603 ( -2.377 -1.784 0.722) 3.059 2.816 ( 2.092 1.079 -0.717) 2.461 2.841 ( 2.459 -1.164 -1.134) 2.948 3.432 ( -1.997 0.001 -0.462) 2.050 3.444 ( -1.782 -1.040 -0.053) 2.064 3.575 ( 0.475 1.022 0.212) 1.147 3.592 ( 1.424 -0.585 2.059) 2.571 3.746 ( 2.626 0.977 1.114) 3.015 3.773 ( 1.239 -1.418 0.123) 1.887 4.197 ( -2.262 1.303 -0.711) 2.705 4.219 ( -1.237 -0.653 -0.916) 1.672 4.375 ( -1.768 1.145 -0.397) 2.144 4.389 ( -1.626 -0.401 -1.907) 2.538 4.622 ( -0.245 1.508 1.126) 1.898 4.657 ( 0.423 -1.705 -0.113) 1.760 4.722 ( -2.961 3.334 0.057) 4.460 4.799 ( -4.771 -3.685 2.761) 6.631 5.011 ( -2.596 2.158 -3.032) 4.538 5.045 ( -5.380 -1.004 1.015) 5.566 5.277 ( -1.498 2.537 -0.330) 2.965 5.314 ( 1.323 0.603 0.664) 1.598 5.368 ( -0.582 -0.912 2.125) 2.384 5.399 ( 3.227 -2.382 1.055) 4.148 5.796 ( 5.848 3.061 0.520) 6.621 5.834 ( 4.307 1.206 -1.459) 4.705 5.892 ( 6.070 -2.663 -0.666) 6.662 5.906 ( 4.433 -4.058 0.701) 6.050 7.234 ( 6.781 1.394 1.005) 6.995 7.276 ( 5.936 -2.159 -1.117) 6.414 7.356 ( 1.652 -0.586 -1.738) 2.469 7.362 ( 1.619 -0.934 -1.447) 2.364 7.857 ( 0.408 -0.145 0.809) 0.918 7.865 ( -0.015 -0.609 0.196) 0.640 8.400 ( -2.253 1.971 3.571) 4.660 8.474 ( -3.146 -4.875 -0.675) 5.841 10.124 ( -0.695 0.175 0.146) 0.731 10.128 ( -0.693 -0.187 -0.116) 0.727 10.162 ( -0.192 0.019 -0.081) 0.209 10.164 ( -0.207 -0.158 -0.083) 0.274 13.807 ( -1.909 1.943 0.094) 2.725 13.827 ( -1.311 0.221 0.792) 1.548 14.014 ( 1.629 3.205 -1.028) 3.739 14.076 ( -0.597 -2.236 -3.011) 3.798 14.628 ( -3.652 3.032 0.469) 4.770 14.680 ( -3.554 -1.708 1.910) 4.381 14.946 ( 3.322 2.019 -0.212) 3.893 14.971 ( 5.158 -0.439 0.468) 5.197 15.456 ( 0.076 1.812 2.799) 3.335 15.514 ( -2.388 -1.990 -1.887) 3.636 15.593 ( 0.796 -0.637 3.525) 3.670 15.663 ( -3.470 -5.337 -3.721) 7.373 ======================= Grid point 72 (40/60) ======================= q-point: ( 0.29 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 5.949 6.672 3.015) 9.434 1.080 ( 3.662 -3.110 3.874) 6.172 1.134 ( 7.569 6.856 -3.381) 10.757 1.210 ( 2.536 4.403 0.633) 5.121 1.277 ( 0.231 -4.749 0.328) 4.766 1.311 ( 1.421 -4.836 2.797) 5.764 1.453 ( 4.141 3.921 -1.148) 5.818 1.532 ( 5.603 -2.727 1.216) 6.349 1.605 ( 3.527 3.605 -2.016) 5.431 1.690 ( 7.747 -2.288 -4.187) 9.098 1.728 ( -0.603 1.323 2.302) 2.723 1.799 ( -1.427 -3.932 1.969) 4.623 1.937 ( -3.555 2.834 -1.688) 4.850 1.972 ( -1.153 -0.209 -1.457) 1.870 2.035 ( -3.951 1.197 -1.605) 4.429 2.072 ( -1.963 -1.995 -1.766) 3.310 2.339 ( 8.380 2.490 1.902) 8.947 2.361 ( 10.466 2.965 1.164) 10.940 2.407 ( 5.571 -2.220 0.196) 6.000 2.440 ( 4.492 -2.559 -1.721) 5.449 2.545 ( 1.044 0.357 0.248) 1.130 2.562 ( -1.186 -1.155 0.435) 1.712 2.859 ( 2.067 1.533 -0.368) 2.600 2.892 ( 2.288 -1.359 -0.855) 2.795 3.369 ( -3.435 0.950 -0.844) 3.662 3.394 ( -2.680 -1.355 -0.583) 3.059 3.615 ( 3.005 1.032 -0.629) 3.239 3.637 ( 2.586 -0.984 1.248) 3.035 3.793 ( 1.138 0.451 0.421) 1.294 3.803 ( 1.765 -0.512 0.712) 1.971 4.134 ( -3.351 2.044 0.845) 4.015 4.171 ( -3.570 -1.376 1.038) 3.964 4.333 ( -1.752 1.084 -1.798) 2.735 4.353 ( -1.275 -0.774 -2.301) 2.742 4.585 ( -2.191 1.998 -0.566) 3.019 4.626 ( -3.036 -1.665 -1.625) 3.825 4.720 ( 1.360 1.180 0.837) 1.986 4.752 ( -0.330 -1.562 1.167) 1.978 4.926 ( -4.095 1.283 1.001) 4.407 4.949 ( -3.724 -0.977 1.290) 4.060 5.254 ( -0.632 2.471 -0.003) 2.551 5.302 ( -1.782 -1.863 0.374) 2.605 5.378 ( 0.813 2.961 1.606) 3.466 5.450 ( 1.475 -3.412 -0.659) 3.776 5.919 ( 4.434 2.284 -0.162) 4.991 5.930 ( 5.520 2.736 -0.662) 6.197 5.994 ( 4.532 -1.872 0.539) 4.933 6.032 ( 5.412 -3.936 0.213) 6.696 7.337 ( 2.379 1.309 0.278) 2.730 7.360 ( 1.617 -0.887 -4.458) 4.825 7.409 ( 3.490 0.552 0.572) 3.579 7.442 ( 5.059 -2.363 2.742) 6.221 7.874 ( 1.473 0.432 0.255) 1.556 7.903 ( 3.057 -2.526 0.387) 3.985 8.332 ( -3.628 1.071 0.166) 3.786 8.403 ( -3.405 -5.374 0.610) 6.391 10.109 ( -0.697 0.089 0.143) 0.717 10.111 ( -0.824 -0.074 -0.177) 0.846 10.157 ( -0.280 -0.040 -0.047) 0.287 10.159 ( -0.249 -0.213 0.023) 0.328 13.771 ( -1.623 2.153 1.243) 2.969 13.797 ( -1.498 -0.127 1.457) 2.094 14.018 ( -1.357 1.832 -2.370) 3.289 14.033 ( -2.049 0.395 -2.785) 3.480 14.603 ( 0.325 2.554 1.430) 2.945 14.652 ( -0.065 -1.888 3.011) 3.554 15.006 ( 2.312 3.189 1.140) 4.100 15.070 ( 3.515 -2.772 1.762) 4.811 15.406 ( -4.575 2.224 -5.040) 7.161 15.423 ( -2.346 0.903 -1.295) 2.828 15.613 ( -1.009 -3.055 -1.111) 3.404 15.638 ( 1.098 -5.421 2.632) 6.125 ======================= Grid point 73 (41/60) ======================= q-point: ( 0.43 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 6.357 3.636 3.035) 7.927 1.134 ( 0.156 0.700 3.606) 3.677 1.205 ( -3.929 0.274 2.721) 4.787 1.219 ( -1.604 -1.328 1.600) 2.626 1.325 ( 8.332 3.507 -2.940) 9.506 1.395 ( 4.798 -2.735 -2.056) 5.893 1.499 ( 1.493 1.541 -0.677) 2.250 1.530 ( -1.076 -1.138 0.483) 1.639 1.667 ( -1.009 3.466 2.817) 4.579 1.740 ( -1.429 -3.329 2.248) 4.263 1.768 ( 2.242 1.345 -2.371) 3.529 1.806 ( 2.685 -2.239 -3.939) 5.267 1.878 ( -1.864 1.635 -2.495) 3.518 1.911 ( -5.033 -0.927 -1.326) 5.287 1.987 ( 0.431 0.726 0.870) 1.213 2.022 ( -1.836 -2.128 1.226) 3.066 2.416 ( 0.812 3.238 -2.051) 3.918 2.467 ( 1.604 -1.274 -3.843) 4.355 2.532 ( 2.998 1.314 2.381) 4.048 2.568 ( 4.667 -1.034 1.743) 5.088 2.581 ( 2.606 1.526 1.149) 3.231 2.635 ( 5.277 -2.717 -0.098) 5.936 2.886 ( 0.111 1.638 -0.286) 1.666 2.922 ( 0.570 -1.710 -1.641) 2.437 3.315 ( -1.239 1.384 -0.931) 2.078 3.346 ( -1.497 -1.484 -1.327) 2.491 3.659 ( 0.083 0.964 -1.006) 1.396 3.679 ( 0.718 -0.868 -0.554) 1.255 3.813 ( 1.426 1.021 1.352) 2.215 3.832 ( 0.915 -0.764 2.099) 2.414 4.090 ( -0.331 0.728 1.155) 1.405 4.097 ( -2.694 0.086 0.690) 2.782 4.317 ( 0.742 1.450 -1.093) 1.961 4.349 ( 1.033 -1.297 0.356) 1.696 4.536 ( -2.770 1.037 -3.917) 4.909 4.557 ( -2.973 -0.936 -4.142) 5.184 4.747 ( 0.918 0.323 2.362) 2.555 4.757 ( 0.268 -0.437 2.218) 2.277 4.876 ( -0.963 0.569 1.459) 1.839 4.894 ( -1.651 -1.044 1.408) 2.408 5.246 ( -0.358 1.280 1.335) 1.883 5.267 ( -1.537 -0.617 0.826) 1.851 5.396 ( 1.046 2.810 -0.069) 2.999 5.462 ( 0.120 -3.037 -1.664) 3.465 5.982 ( 1.729 3.278 0.415) 3.729 6.018 ( 2.357 2.346 -0.625) 3.383 6.065 ( 1.912 -2.329 0.805) 3.119 6.106 ( 1.741 -3.760 -0.633) 4.192 7.352 ( -0.309 2.221 0.442) 2.285 7.376 ( 0.623 0.140 -2.370) 2.455 7.473 ( 2.650 0.507 1.278) 2.985 7.514 ( 1.409 -2.703 1.632) 3.457 7.903 ( 0.903 1.800 0.497) 2.075 7.949 ( 0.846 -2.697 0.361) 2.850 8.292 ( 0.173 -1.218 -0.992) 1.581 8.338 ( -3.052 -5.185 0.041) 6.017 10.098 ( -0.392 0.013 0.075) 0.400 10.099 ( -0.300 -0.033 -0.131) 0.329 10.153 ( -0.059 -0.050 0.018) 0.079 10.155 ( -0.112 -0.285 0.041) 0.310 13.747 ( -0.681 2.098 2.711) 3.494 13.774 ( -0.820 -0.353 2.944) 3.076 13.976 ( -1.245 2.678 -3.831) 4.837 14.009 ( -0.452 -0.381 -4.008) 4.052 14.614 ( 0.165 2.354 2.894) 3.734 14.656 ( 0.100 -1.397 2.225) 2.629 15.036 ( 0.469 3.268 1.302) 3.549 15.108 ( 0.178 -3.370 0.277) 3.386 15.358 ( 0.353 3.011 -1.978) 3.620 15.395 ( -0.082 0.147 -1.036) 1.049 15.601 ( -0.071 -2.454 -0.913) 2.619 15.639 ( -1.093 -5.617 -0.538) 5.747 ======================= Grid point 74 (42/60) ======================= q-point: (-0.43 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -7.663 3.218 2.248) 8.610 1.094 ( -5.227 -1.200 2.344) 5.853 1.219 ( 1.924 1.547 1.054) 2.685 1.230 ( 3.517 0.309 2.632) 4.404 1.418 ( -0.604 3.226 0.818) 3.382 1.467 ( 0.754 -0.134 -0.718) 1.049 1.508 ( 0.615 0.632 -0.573) 1.051 1.551 ( 1.359 -2.643 -1.763) 3.456 1.626 ( -2.626 2.752 0.442) 3.829 1.676 ( -3.842 -2.184 1.185) 4.575 1.774 ( -1.990 2.135 -0.712) 3.004 1.830 ( -1.655 -1.680 -3.136) 3.924 1.855 ( 4.370 0.102 -1.387) 4.586 1.900 ( 3.283 -2.500 -2.144) 4.650 1.993 ( -0.335 -0.013 0.819) 0.885 2.002 ( -0.731 -0.816 1.932) 2.221 2.427 ( 0.509 2.856 -2.661) 3.937 2.469 ( -0.506 -0.930 -3.373) 3.535 2.533 ( -3.863 1.719 1.889) 4.631 2.568 ( -3.482 -0.149 2.043) 4.040 2.594 ( -2.524 1.366 1.103) 3.075 2.658 ( -3.295 -2.911 0.041) 4.397 2.864 ( -1.776 1.755 -0.300) 2.515 2.908 ( -1.555 -2.352 -1.702) 3.293 3.323 ( 1.918 0.611 -0.640) 2.112 3.338 ( 0.903 -0.702 -1.814) 2.144 3.618 ( -3.092 1.011 0.125) 3.256 3.645 ( -3.259 -1.471 -0.207) 3.581 3.844 ( 0.415 0.492 0.920) 1.122 3.852 ( 0.698 -0.125 1.166) 1.364 4.097 ( 2.729 2.562 0.019) 3.743 4.134 ( 3.965 -0.847 1.933) 4.491 4.350 ( 1.317 1.223 -0.019) 1.797 4.378 ( 0.604 -1.125 1.753) 2.169 4.485 ( -0.015 1.141 -5.082) 5.208 4.509 ( 0.076 -1.172 -4.958) 5.095 4.754 ( -0.647 0.514 2.154) 2.307 4.765 ( 0.223 -0.371 2.013) 2.059 4.877 ( 0.523 -0.016 0.969) 1.102 4.888 ( 0.905 -0.895 1.949) 2.328 5.235 ( -0.628 0.902 0.166) 1.112 5.251 ( -0.021 -0.488 1.779) 1.845 5.418 ( 0.736 1.760 0.024) 1.907 5.461 ( 0.040 -2.011 -1.646) 2.599 5.986 ( -1.539 4.093 0.640) 4.419 6.012 ( -2.737 3.327 -0.832) 4.388 6.066 ( -2.015 -3.149 0.771) 3.817 6.107 ( -1.416 -4.739 -0.614) 4.984 7.331 ( -1.736 3.532 -0.225) 3.942 7.387 ( 0.196 -0.791 -1.229) 1.474 7.513 ( -0.796 -0.956 0.468) 1.329 7.525 ( 1.721 -2.363 1.898) 3.485 7.902 ( -1.187 2.442 0.997) 2.892 7.952 ( -0.482 -1.992 0.017) 2.050 8.263 ( -3.249 -0.684 -0.902) 3.441 8.327 ( 2.406 -6.073 -0.138) 6.534 10.095 ( 0.178 0.236 -0.013) 0.296 10.101 ( 0.481 -0.268 -0.042) 0.552 10.154 ( 0.032 -0.118 -0.005) 0.123 10.155 ( 0.177 -0.206 0.064) 0.279 13.755 ( 1.042 1.682 2.790) 3.421 13.774 ( 0.421 0.001 3.172) 3.200 13.965 ( 0.529 3.001 -4.010) 5.037 14.004 ( 0.614 -0.662 -4.072) 4.171 14.620 ( 0.431 2.745 3.007) 4.095 14.671 ( 1.201 -1.848 2.081) 3.031 15.033 ( -0.641 2.607 1.757) 3.209 15.088 ( -1.859 -2.501 -0.502) 3.157 15.377 ( 0.240 3.194 -1.663) 3.609 15.419 ( 2.790 0.363 -0.916) 2.959 15.593 ( -2.960 -3.803 -1.779) 5.137 15.614 ( 1.572 -4.846 0.183) 5.098 ======================= Grid point 75 (43/60) ======================= q-point: (-0.29 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -6.950 6.514 1.435) 9.633 0.994 ( -4.414 -2.708 0.993) 5.273 1.214 ( -1.240 5.845 0.765) 6.024 1.302 ( -0.463 -0.018 5.979) 5.997 1.334 ( -4.295 2.793 0.057) 5.124 1.425 ( -4.338 -2.852 1.715) 5.467 1.492 ( -1.835 1.516 -3.145) 3.945 1.520 ( -6.941 1.136 -2.187) 7.365 1.542 ( -5.790 0.249 -0.224) 5.800 1.583 ( -4.730 -4.708 -2.644) 7.178 1.745 ( -0.519 2.226 2.048) 3.069 1.803 ( -1.319 -2.852 0.155) 3.146 1.944 ( 0.848 -0.124 -0.911) 1.251 1.950 ( 1.434 -0.512 -1.472) 2.118 2.001 ( 4.879 2.377 -1.838) 5.730 2.058 ( 6.575 -2.718 -0.967) 7.180 2.334 ( -11.235 2.419 1.162) 11.551 2.376 ( -9.966 -1.218 0.159) 10.042 2.439 ( -3.313 2.808 -1.515) 4.600 2.477 ( -4.535 -0.369 1.254) 4.719 2.555 ( 0.328 0.398 -0.583) 0.778 2.592 ( 0.182 -2.282 0.774) 2.416 2.827 ( -1.687 1.327 -0.085) 2.148 2.864 ( -2.399 -2.025 -1.190) 3.357 3.374 ( 2.478 0.041 -1.472) 2.883 3.378 ( 3.096 -0.367 -0.362) 3.138 3.559 ( -2.159 0.939 0.465) 2.400 3.587 ( -1.871 -1.601 1.273) 2.772 3.824 ( -2.370 0.845 -0.073) 2.517 3.843 ( -1.744 -0.819 0.473) 1.984 4.173 ( 3.278 3.425 0.778) 4.805 4.216 ( 2.887 -0.499 1.480) 3.282 4.353 ( -0.022 0.089 -2.672) 2.674 4.370 ( 0.629 -1.335 -1.259) 1.940 4.541 ( 3.993 2.211 -1.475) 4.797 4.583 ( 5.914 -1.383 -1.329) 6.217 4.736 ( -0.512 2.100 0.960) 2.365 4.772 ( 0.817 -0.910 1.114) 1.654 4.897 ( 1.378 0.392 0.744) 1.614 4.929 ( 2.756 -2.268 1.882) 4.035 5.234 ( 0.577 1.351 -1.079) 1.823 5.264 ( 0.975 -1.364 1.743) 2.419 5.415 ( -1.074 1.335 0.978) 1.973 5.452 ( -1.168 -1.735 -0.559) 2.165 5.907 ( -6.009 3.618 -0.336) 7.022 5.938 ( -3.795 4.808 -0.408) 6.139 5.990 ( -5.087 -3.623 0.474) 6.264 6.050 ( -4.051 -5.477 0.202) 6.816 7.281 ( -3.130 2.941 -0.540) 4.328 7.352 ( -3.650 -2.993 -1.261) 4.886 7.483 ( -2.195 0.794 0.073) 2.336 7.530 ( -2.730 -3.741 0.605) 4.671 7.865 ( -1.875 1.478 0.583) 2.457 7.910 ( -3.109 -2.784 0.313) 4.185 8.246 ( 2.318 5.512 0.308) 5.988 8.396 ( 4.101 -8.294 0.478) 9.265 10.105 ( 0.743 0.418 0.019) 0.852 10.115 ( 0.768 -0.448 -0.053) 0.890 10.157 ( 0.291 0.018 -0.039) 0.295 10.159 ( 0.239 -0.226 0.015) 0.330 13.783 ( 1.130 1.402 1.144) 2.134 13.793 ( 1.051 0.613 1.807) 2.179 13.983 ( 1.262 3.099 -2.508) 4.182 14.030 ( 2.193 -1.099 -2.644) 3.607 14.642 ( 1.313 3.261 1.745) 3.925 14.702 ( 1.338 -2.120 2.387) 3.461 15.029 ( -0.913 0.460 2.095) 2.331 15.042 ( -1.293 -0.875 1.390) 2.090 15.353 ( -2.030 2.866 -3.562) 5.002 15.437 ( -2.734 -4.499 -4.000) 6.612 15.568 ( 2.500 2.987 1.415) 4.144 15.670 ( 3.515 -6.254 0.802) 7.219 ======================= Grid point 76 (44/60) ======================= q-point: (-0.14 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -3.272 8.756 0.227) 9.350 0.909 ( -4.568 -1.884 -0.479) 4.965 1.117 ( -10.131 4.468 0.382) 11.079 1.185 ( -5.654 8.146 6.741) 11.990 1.227 ( -10.348 -1.097 -4.868) 11.488 1.324 ( -5.315 -0.294 0.795) 5.382 1.378 ( -2.546 -0.514 6.008) 6.545 1.410 ( -3.066 -1.401 -1.800) 3.822 1.466 ( 0.180 0.683 -3.383) 3.456 1.523 ( -1.090 -4.980 -1.076) 5.210 1.751 ( -0.064 0.911 2.260) 2.437 1.786 ( -0.216 -2.081 0.388) 2.128 1.916 ( -3.470 1.919 -2.107) 4.490 1.960 ( -2.404 -2.004 -1.505) 3.473 2.096 ( -0.315 2.543 -1.733) 3.094 2.141 ( -6.708 -1.203 -0.526) 6.835 2.159 ( 1.016 0.918 -1.361) 1.931 2.201 ( 3.674 -2.079 -1.870) 4.618 2.363 ( -3.375 2.728 1.624) 4.633 2.411 ( -2.012 -1.440 1.815) 3.069 2.589 ( 2.291 1.709 -0.579) 2.916 2.635 ( 1.995 -2.606 1.192) 3.492 2.794 ( -1.235 0.752 -0.689) 1.601 2.816 ( -1.893 -1.087 -1.546) 2.675 3.422 ( 2.017 0.134 -0.606) 2.110 3.434 ( 1.954 -0.876 -0.040) 2.142 3.543 ( 0.439 1.299 0.933) 1.659 3.577 ( 0.549 -1.756 1.914) 2.655 3.758 ( -3.487 1.657 0.420) 3.884 3.795 ( -2.443 -1.627 0.321) 2.953 4.210 ( 0.772 2.317 -0.887) 2.598 4.245 ( 0.184 -1.044 -0.965) 1.434 4.371 ( 1.816 1.665 -1.012) 2.663 4.412 ( 2.063 -1.900 -0.704) 2.892 4.587 ( 0.595 2.874 0.274) 2.947 4.640 ( -0.327 -1.998 -0.049) 2.025 4.813 ( 5.645 1.503 -0.326) 5.851 4.817 ( 3.838 1.946 3.984) 5.864 4.937 ( 2.280 0.412 0.002) 2.317 5.009 ( 5.093 -4.477 -1.972) 7.062 5.249 ( 0.827 1.385 -0.652) 1.739 5.284 ( 0.484 -1.609 1.316) 2.134 5.383 ( -1.912 1.338 1.957) 3.046 5.412 ( -2.318 -1.266 0.467) 2.682 5.782 ( -5.217 3.800 0.062) 6.454 5.847 ( -4.565 3.703 -1.773) 6.140 5.879 ( -5.131 -4.205 1.142) 6.731 5.951 ( -5.069 -5.464 -0.232) 7.457 7.196 ( -4.936 1.700 0.270) 5.227 7.256 ( -4.470 -3.726 -0.692) 5.861 7.412 ( -5.170 -0.041 -2.423) 5.709 7.424 ( -4.261 -0.863 -0.744) 4.411 7.850 ( 0.135 1.005 0.711) 1.239 7.876 ( -0.261 -1.445 0.332) 1.505 8.328 ( 4.388 6.080 2.943) 8.056 8.479 ( 3.264 -7.772 0.213) 8.432 10.122 ( 0.805 0.327 0.089) 0.874 10.130 ( 0.627 -0.323 -0.060) 0.708 10.162 ( 0.137 0.008 -0.076) 0.157 10.164 ( 0.231 -0.163 -0.087) 0.295 13.806 ( 1.255 1.758 0.019) 2.160 13.821 ( 1.466 0.401 0.846) 1.740 13.991 ( -0.430 3.851 -1.100) 4.028 14.067 ( 1.056 -2.873 -2.559) 3.990 14.686 ( 3.276 2.634 -0.242) 4.211 14.731 ( 1.136 -1.297 2.016) 2.653 14.963 ( -4.458 2.686 -0.163) 5.207 15.034 ( -3.137 -3.658 0.457) 4.840 15.318 ( 0.894 2.628 0.689) 2.860 15.388 ( 0.045 -3.752 1.597) 4.078 15.637 ( 2.543 3.298 -0.503) 4.195 15.735 ( 2.084 -5.951 -0.861) 6.364 ======================= Grid point 98 (45/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( -4.886 0.000 -5.763) 7.556 0.540 ( 4.886 0.000 5.763) 7.556 0.733 ( -0.273 0.000 -14.063) 14.066 0.733 ( 0.273 0.000 14.063) 14.066 1.095 ( -0.086 0.000 -22.492) 22.492 1.095 ( 0.086 0.000 22.492) 22.492 1.352 ( -0.437 0.000 0.087) 0.445 1.352 ( 0.437 0.000 -0.087) 0.445 1.449 ( 0.485 0.000 -10.076) 10.088 1.449 ( -0.485 0.000 10.076) 10.088 1.869 ( -0.941 0.000 -5.384) 5.466 1.869 ( 0.941 0.000 5.384) 5.466 1.917 ( 1.053 0.000 -7.238) 7.314 1.917 ( -1.053 0.000 7.238) 7.314 2.094 ( -2.301 0.000 -2.535) 3.424 2.094 ( 2.301 0.000 2.535) 3.424 2.117 ( 2.418 0.000 -4.056) 4.722 2.117 ( -2.418 0.000 4.056) 4.722 2.412 ( 2.787 0.000 -3.215) 4.255 2.412 ( -2.787 0.000 3.215) 4.255 2.659 ( -8.787 0.000 -2.323) 9.089 2.659 ( 8.787 0.000 2.323) 9.089 2.819 ( 2.619 0.000 -2.199) 3.420 2.819 ( -2.619 0.000 2.199) 3.420 3.502 ( -1.109 0.000 -0.182) 1.124 3.502 ( 1.109 0.000 0.182) 1.124 3.583 ( -4.343 0.000 -1.423) 4.570 3.583 ( 4.343 0.000 1.423) 4.570 3.761 ( -1.702 0.000 -4.436) 4.752 3.761 ( 1.702 0.000 4.436) 4.752 4.191 ( -3.236 0.000 -3.300) 4.622 4.191 ( 3.236 0.000 3.300) 4.622 4.398 ( 3.191 0.000 -3.709) 4.893 4.398 ( -3.191 0.000 3.709) 4.893 4.592 ( 1.537 0.000 -2.220) 2.700 4.592 ( -1.537 0.000 2.220) 2.700 4.719 ( 0.054 0.000 -1.131) 1.132 4.719 ( -0.054 0.000 1.131) 1.132 5.198 ( -3.016 0.000 0.373) 3.039 5.198 ( 3.016 0.000 -0.373) 3.039 5.248 ( -6.672 0.000 -2.393) 7.088 5.248 ( 6.672 0.000 2.393) 7.088 5.374 ( -0.287 0.000 -0.639) 0.700 5.374 ( 0.287 0.000 0.639) 0.700 5.689 ( -1.968 0.000 -1.632) 2.557 5.689 ( 1.968 0.000 1.632) 2.557 6.379 ( 9.405 0.000 -14.357) 17.163 6.379 ( -9.405 0.000 14.357) 17.163 7.155 ( 6.718 0.000 -5.275) 8.542 7.155 ( -6.718 0.000 5.275) 8.542 7.426 ( -1.434 0.000 -0.268) 1.459 7.426 ( 1.434 0.000 0.268) 1.459 7.936 ( -3.631 0.000 0.488) 3.664 7.936 ( 3.631 0.000 -0.488) 3.664 8.667 ( -9.483 0.000 -1.228) 9.562 8.667 ( 9.483 0.000 1.228) 9.562 10.139 ( -0.424 0.000 -0.249) 0.492 10.139 ( 0.424 0.000 0.249) 0.492 10.165 ( -0.172 0.000 0.047) 0.178 10.165 ( 0.172 0.000 -0.047) 0.178 13.695 ( 0.818 0.000 -1.098) 1.369 13.695 ( -0.818 0.000 1.098) 1.369 13.834 ( -4.916 0.000 -4.859) 6.912 13.834 ( 4.916 0.000 4.859) 6.912 14.646 ( -10.070 0.000 3.225) 10.574 14.646 ( 10.070 0.000 -3.225) 10.574 14.807 ( -1.410 0.000 -1.648) 2.169 14.807 ( 1.410 0.000 1.648) 2.169 15.540 ( -0.148 0.000 -2.789) 2.793 15.540 ( 0.148 0.000 2.789) 2.793 16.102 ( -11.154 0.000 0.353) 11.160 16.102 ( 11.154 0.000 -0.353) 11.160 ======================= Grid point 100 (46/60) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( 5.632 0.000 -7.385) 9.288 0.680 ( 6.884 0.000 6.258) 9.303 0.901 ( 13.082 0.000 -13.288) 18.647 0.922 ( 11.140 0.000 11.530) 16.033 1.210 ( 14.563 0.000 -18.025) 23.173 1.233 ( 10.588 0.000 15.876) 19.083 1.360 ( 0.888 0.000 1.780) 1.989 1.382 ( 2.457 0.000 0.915) 2.622 1.476 ( 1.652 0.000 7.800) 7.973 1.480 ( 3.523 0.000 -12.263) 12.759 1.787 ( -6.038 0.000 4.048) 7.269 1.843 ( -0.042 0.000 -4.063) 4.063 1.985 ( -7.303 0.000 4.193) 8.421 2.011 ( 8.234 0.000 -5.767) 10.052 2.032 ( 2.737 0.000 6.240) 6.814 2.110 ( 0.689 0.000 -0.775) 1.037 2.110 ( 1.275 0.000 3.002) 3.261 2.186 ( 6.449 0.000 -0.525) 6.471 2.387 ( 0.133 0.000 1.138) 1.146 2.470 ( -8.143 0.000 -3.348) 8.804 2.472 ( 3.090 0.000 -2.786) 4.161 2.750 ( -2.960 0.000 2.115) 3.638 2.826 ( 5.696 0.000 2.659) 6.286 2.855 ( 1.020 0.000 -1.135) 1.526 3.416 ( -5.665 0.000 -0.931) 5.741 3.484 ( -2.266 0.000 -0.783) 2.397 3.550 ( 0.748 0.000 0.813) 1.105 3.669 ( 2.851 0.000 2.339) 3.687 3.748 ( 0.889 0.000 -3.239) 3.358 3.819 ( 3.170 0.000 2.819) 4.242 4.094 ( -5.427 0.000 -1.253) 5.570 4.241 ( 1.282 0.000 4.833) 5.000 4.357 ( -0.747 0.000 4.240) 4.305 4.454 ( 2.155 0.000 -5.334) 5.753 4.484 ( -7.806 0.000 -2.703) 8.261 4.543 ( -4.097 0.000 -3.768) 5.566 4.724 ( 0.352 0.000 1.913) 1.945 4.731 ( 0.834 0.000 -1.130) 1.405 5.095 ( -5.489 0.000 2.015) 5.847 5.122 ( -6.434 0.000 5.088) 8.203 5.252 ( -3.940 0.000 1.136) 4.100 5.302 ( 5.977 0.000 3.485) 6.919 5.441 ( 5.242 0.000 -2.659) 5.878 5.484 ( 6.111 0.000 1.563) 6.308 5.597 ( -5.587 0.000 -5.053) 7.533 5.725 ( 3.401 0.000 -2.913) 4.477 6.150 ( -7.114 0.000 3.087) 7.755 6.372 ( -3.986 0.000 -0.373) 4.003 7.224 ( 6.149 0.000 -4.103) 7.392 7.386 ( -0.707 0.000 1.398) 1.566 7.420 ( 9.691 0.000 6.944) 11.922 7.461 ( 2.463 0.000 0.793) 2.587 7.902 ( -0.735 0.000 0.466) 0.870 8.094 ( 11.806 0.000 1.269) 11.875 8.460 ( -9.828 0.000 -8.351) 12.896 8.819 ( 4.441 0.000 -4.353) 6.218 10.118 ( -1.344 0.000 -0.395) 1.401 10.140 ( -0.124 0.000 0.462) 0.479 10.167 ( 0.286 0.000 0.216) 0.358 10.167 ( -0.118 0.000 -0.234) 0.262 13.666 ( -1.631 0.000 1.880) 2.489 13.673 ( -1.705 0.000 -0.109) 1.708 13.790 ( 1.036 0.000 -3.556) 3.704 13.909 ( 0.857 0.000 5.622) 5.687 14.513 ( -2.985 0.000 4.457) 5.365 14.691 ( -2.288 0.000 -0.548) 2.353 14.902 ( 5.681 0.000 3.331) 6.586 15.044 ( 17.380 0.000 6.514) 18.561 15.458 ( -7.732 0.000 -2.832) 8.234 15.494 ( -4.259 0.000 1.937) 4.679 15.836 ( -10.004 0.000 -9.608) 13.870 16.198 ( -1.025 0.000 -4.086) 4.213 ======================= Grid point 101 (47/60) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 12.154 0.000 -7.507) 14.285 0.836 ( 7.889 0.000 4.793) 9.231 1.120 ( 7.683 0.000 11.248) 13.622 1.134 ( 11.383 0.000 -13.190) 17.423 1.343 ( -1.730 0.000 0.839) 1.923 1.385 ( 0.093 0.000 3.368) 3.370 1.433 ( 0.465 0.000 -1.085) 1.180 1.525 ( 0.681 0.000 -10.256) 10.279 1.589 ( 17.039 0.000 -4.151) 17.538 1.607 ( 11.228 0.000 5.033) 12.305 1.687 ( -2.408 0.000 2.007) 3.135 1.819 ( -6.446 0.000 6.666) 9.273 1.866 ( 0.468 0.000 2.671) 2.712 1.949 ( -5.302 0.000 -0.136) 5.304 2.105 ( -1.439 0.000 0.221) 1.456 2.173 ( -1.148 0.000 -0.432) 1.226 2.236 ( 12.170 0.000 -4.341) 12.921 2.292 ( 2.162 0.000 3.961) 4.513 2.386 ( 0.658 0.000 -2.676) 2.755 2.479 ( 9.873 0.000 0.811) 9.906 2.528 ( 1.735 0.000 -2.352) 2.923 2.697 ( -1.207 0.000 0.721) 1.406 2.869 ( 0.953 0.000 -1.469) 1.751 2.912 ( 2.090 0.000 4.021) 4.532 3.314 ( -3.671 0.000 0.884) 3.776 3.420 ( -3.548 0.000 -1.525) 3.862 3.597 ( 3.576 0.000 -0.316) 3.590 3.707 ( 1.189 0.000 -0.909) 1.496 3.770 ( 0.637 0.000 2.418) 2.501 3.871 ( -0.004 0.000 0.160) 0.160 4.013 ( -0.346 0.000 -0.171) 0.386 4.249 ( -1.515 0.000 6.947) 7.111 4.317 ( -6.645 0.000 -2.193) 6.997 4.378 ( 1.799 0.000 3.653) 4.072 4.404 ( -4.993 0.000 -8.459) 9.823 4.516 ( 0.606 0.000 -3.285) 3.340 4.740 ( 0.099 0.000 -1.308) 1.312 4.741 ( 0.943 0.000 0.940) 1.332 4.981 ( -5.304 0.000 4.074) 6.688 5.022 ( -2.601 0.000 0.784) 2.717 5.185 ( -1.706 0.000 -0.228) 1.721 5.383 ( -1.812 0.000 -0.530) 1.888 5.439 ( -1.350 0.000 2.233) 2.609 5.555 ( 0.293 0.000 0.122) 0.317 5.633 ( 8.612 0.000 -4.677) 9.800 5.811 ( 4.210 0.000 -2.205) 4.753 6.131 ( 3.108 0.000 0.723) 3.191 6.314 ( -2.124 0.000 4.406) 4.891 7.275 ( 0.280 0.000 -5.797) 5.803 7.338 ( -2.716 0.000 0.693) 2.803 7.538 ( 4.471 0.000 0.894) 4.560 7.556 ( 2.894 0.000 9.177) 9.622 7.882 ( -1.381 0.000 2.316) 2.696 8.241 ( -10.147 0.000 -9.845) 14.138 8.362 ( 12.126 0.000 1.704) 12.245 8.831 ( -2.369 0.000 -3.049) 3.861 10.095 ( -0.650 0.000 -0.334) 0.731 10.138 ( -0.397 0.000 0.568) 0.693 10.161 ( -0.261 0.000 -0.338) 0.427 10.174 ( 0.318 0.000 0.084) 0.329 13.641 ( -0.879 0.000 2.162) 2.334 13.661 ( 0.209 0.000 -0.472) 0.516 13.812 ( 1.100 0.000 -5.085) 5.203 13.901 ( -1.605 0.000 4.268) 4.560 14.501 ( 0.834 0.000 2.706) 2.831 14.640 ( -2.482 0.000 -0.279) 2.497 15.017 ( 4.322 0.000 5.662) 7.123 15.230 ( -5.315 0.000 -4.737) 7.120 15.353 ( 3.625 0.000 6.038) 7.043 15.401 ( -4.017 0.000 0.100) 4.018 15.749 ( 2.227 0.000 -5.439) 5.878 16.113 ( -5.559 0.000 -3.165) 6.397 ======================= Grid point 102 (48/60) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 10.125 0.000 -5.753) 11.645 1.002 ( 6.133 0.000 4.326) 7.506 1.266 ( -4.213 0.000 0.300) 4.224 1.286 ( 1.661 0.000 3.254) 3.654 1.300 ( 0.186 0.000 2.842) 2.848 1.339 ( 8.624 0.000 -6.554) 10.832 1.441 ( -1.080 0.000 -0.291) 1.119 1.456 ( -6.080 0.000 -5.576) 8.250 1.625 ( -0.995 0.000 -1.159) 1.527 1.674 ( -6.145 0.000 7.939) 10.039 1.795 ( 5.296 0.000 4.248) 6.789 1.859 ( 2.717 0.000 -2.548) 3.725 1.902 ( 4.107 0.000 -2.182) 4.651 1.949 ( 4.998 0.000 3.300) 5.989 2.044 ( -3.802 0.000 0.805) 3.886 2.087 ( -4.682 0.000 -3.166) 5.652 2.397 ( 2.036 0.000 6.372) 6.690 2.412 ( 5.865 0.000 -4.372) 7.315 2.414 ( 3.669 0.000 -4.219) 5.591 2.498 ( -3.307 0.000 0.556) 3.353 2.662 ( 5.749 0.000 1.426) 5.923 2.712 ( 0.639 0.000 -1.591) 1.714 2.902 ( 2.348 0.000 -3.715) 4.395 2.931 ( -0.588 0.000 5.293) 5.326 3.283 ( 0.724 0.000 2.419) 2.525 3.340 ( -3.785 0.000 -2.374) 4.468 3.679 ( 3.769 0.000 -0.865) 3.867 3.722 ( -0.066 0.000 -0.685) 0.688 3.774 ( -0.077 0.000 4.201) 4.201 3.813 ( -3.367 0.000 -2.304) 4.080 4.088 ( 5.727 0.000 -3.490) 6.707 4.191 ( -4.661 0.000 8.823) 9.978 4.237 ( -0.651 0.000 2.456) 2.541 4.291 ( -4.442 0.000 -8.849) 9.901 4.435 ( 2.954 0.000 4.438) 5.331 4.496 ( -2.056 0.000 -4.931) 5.342 4.743 ( 0.581 0.000 -0.319) 0.662 4.753 ( -0.056 0.000 0.163) 0.172 4.942 ( 0.379 0.000 2.463) 2.492 4.974 ( -2.067 0.000 -0.933) 2.268 5.191 ( 2.248 0.000 0.552) 2.314 5.273 ( -5.310 0.000 -1.260) 5.457 5.478 ( 2.111 0.000 2.654) 3.391 5.525 ( -2.204 0.000 -2.046) 3.007 5.791 ( 6.136 0.000 -3.057) 6.856 5.857 ( -0.323 0.000 1.202) 1.245 6.213 ( 3.943 0.000 -0.780) 4.019 6.276 ( -2.411 0.000 3.030) 3.872 7.267 ( 0.242 0.000 -3.749) 3.757 7.288 ( -2.036 0.000 1.802) 2.719 7.605 ( 1.329 0.000 7.249) 7.370 7.614 ( 1.951 0.000 -3.359) 3.885 7.887 ( 2.668 0.000 8.233) 8.655 8.026 ( -8.801 0.000 -11.612) 14.570 8.580 ( 8.900 0.000 1.475) 9.022 8.736 ( -6.157 0.000 -1.265) 6.285 10.095 ( 0.672 0.000 -0.071) 0.676 10.118 ( -1.320 0.000 -0.037) 1.321 10.165 ( 0.547 0.000 0.156) 0.569 10.175 ( -0.281 0.000 -0.071) 0.290 13.641 ( 0.564 0.000 1.887) 1.970 13.659 ( -0.632 0.000 -1.007) 1.189 13.830 ( 1.558 0.000 -5.377) 5.598 13.865 ( -2.219 0.000 4.409) 4.936 14.538 ( 2.210 0.000 1.459) 2.649 14.588 ( -2.478 0.000 -0.660) 2.565 15.078 ( 1.170 0.000 6.867) 6.966 15.120 ( -3.060 0.000 -6.466) 7.154 15.360 ( 0.203 0.000 -0.712) 0.740 15.381 ( -1.023 0.000 1.170) 1.554 15.856 ( 6.486 0.000 2.018) 6.793 15.988 ( -6.023 0.000 -3.102) 6.775 ======================= Grid point 106 (49/60) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( -4.334 4.812 -7.207) 9.689 0.596 ( 4.334 4.812 7.207) 9.689 0.778 ( -0.558 3.967 -11.493) 12.172 0.778 ( 0.558 3.967 11.493) 12.172 1.117 ( 0.108 2.171 -17.804) 17.936 1.117 ( -0.108 2.171 17.804) 17.936 1.348 ( 0.746 -0.160 -1.099) 1.338 1.348 ( -0.746 -0.160 1.099) 1.338 1.471 ( -0.489 1.682 -7.319) 7.526 1.471 ( 0.489 1.682 7.319) 7.526 1.861 ( -1.686 -0.858 -4.732) 5.096 1.861 ( 1.686 -0.858 4.732) 5.096 1.914 ( 1.174 -0.799 -4.893) 5.095 1.914 ( -1.174 -0.799 4.893) 5.095 2.051 ( 0.122 -1.234 -5.972) 6.099 2.051 ( -0.122 -1.234 5.972) 6.099 2.140 ( 1.659 0.434 -4.588) 4.898 2.140 ( -1.659 0.434 4.588) 4.898 2.418 ( 1.224 0.325 -3.559) 3.777 2.418 ( -1.224 0.325 3.559) 3.777 2.654 ( -8.364 -0.422 -1.810) 8.568 2.654 ( 8.364 -0.422 1.810) 8.568 2.810 ( 2.381 -0.789 -2.231) 3.357 2.810 ( -2.381 -0.789 2.231) 3.357 3.491 ( -1.410 -0.910 -0.326) 1.709 3.491 ( 1.410 -0.910 0.326) 1.709 3.587 ( -4.358 0.273 -1.653) 4.669 3.587 ( 4.358 0.273 1.653) 4.669 3.762 ( -1.258 -0.023 -4.805) 4.967 3.762 ( 1.258 -0.023 4.805) 4.967 4.200 ( -3.439 0.601 -3.643) 5.045 4.200 ( 3.439 0.601 3.643) 5.045 4.373 ( 0.693 -1.270 -3.412) 3.706 4.373 ( -0.693 -1.270 3.412) 3.706 4.631 ( -0.573 2.217 -4.264) 4.840 4.631 ( 0.573 2.217 4.264) 4.840 4.706 ( -1.287 0.011 -1.947) 2.334 4.706 ( 1.287 0.011 1.947) 2.334 5.191 ( 2.483 -0.928 -1.076) 2.861 5.191 ( -2.483 -0.928 1.076) 2.861 5.258 ( -4.152 0.552 -1.989) 4.637 5.258 ( 4.152 0.552 1.989) 4.637 5.376 ( 1.135 0.273 -1.184) 1.663 5.376 ( -1.135 0.273 1.184) 1.663 5.686 ( -2.129 -0.114 -1.196) 2.445 5.686 ( 2.129 -0.114 1.196) 2.445 6.236 ( 5.075 -11.015 -8.476) 14.796 6.236 ( -5.075 -11.015 8.476) 14.796 7.152 ( 2.061 -0.052 -5.317) 5.702 7.152 ( -2.061 -0.052 5.317) 5.702 7.406 ( -1.669 -1.569 -1.262) 2.615 7.406 ( 1.669 -1.569 1.262) 2.615 7.906 ( -1.180 -1.963 -0.900) 2.461 7.906 ( 1.180 -1.963 0.900) 2.461 8.614 ( -5.537 -3.880 -9.571) 11.718 8.614 ( 5.537 -3.880 9.571) 11.718 10.137 ( -0.215 -0.140 -0.299) 0.394 10.137 ( 0.215 -0.140 0.299) 0.394 10.167 ( -0.211 0.059 -0.069) 0.229 10.167 ( 0.211 0.059 0.069) 0.229 13.730 ( -1.324 2.615 -0.351) 2.952 13.730 ( 1.324 2.615 0.351) 2.952 13.899 ( -3.630 4.707 -5.747) 8.268 13.899 ( 3.630 4.707 5.747) 8.268 14.685 ( -6.788 3.207 -1.227) 7.607 14.685 ( 6.788 3.207 1.227) 7.607 14.805 ( -2.325 -0.038 -2.395) 3.338 14.805 ( 2.325 -0.038 2.395) 3.338 15.528 ( -0.725 -0.950 -3.298) 3.507 15.528 ( 0.725 -0.950 3.298) 3.507 15.979 ( -8.611 -9.478 -4.687) 13.636 15.979 ( 8.611 -9.478 4.687) 13.636 ======================= Grid point 108 (50/60) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 4.689 4.771 -8.271) 10.638 0.726 ( 6.361 3.831 6.963) 10.179 0.917 ( 12.125 2.118 -4.518) 13.111 0.965 ( 10.553 3.182 4.130) 11.770 1.212 ( 10.760 0.929 -12.335) 16.395 1.251 ( 10.509 1.462 13.020) 16.796 1.355 ( 2.085 0.175 0.630) 2.185 1.391 ( 2.937 0.024 0.313) 2.954 1.483 ( 2.514 0.231 -9.771) 10.092 1.510 ( 2.304 2.440 5.480) 6.426 1.783 ( -5.185 -0.236 3.839) 6.456 1.838 ( 0.229 -0.478 -4.256) 4.289 1.972 ( -4.684 -0.943 3.504) 5.925 1.997 ( 3.703 -0.722 -3.279) 4.999 2.040 ( 4.557 -1.912 1.902) 5.295 2.083 ( 2.756 1.039 1.618) 3.360 2.128 ( 2.074 0.719 3.168) 3.854 2.188 ( 4.950 -0.028 -1.584) 5.198 2.402 ( -1.777 0.298 -1.338) 2.245 2.436 ( -0.128 -1.132 -0.088) 1.142 2.494 ( -3.444 0.975 -2.427) 4.325 2.733 ( -2.932 -1.602 2.205) 4.003 2.819 ( 4.371 -0.469 2.138) 4.889 2.849 ( 2.081 -0.617 -1.709) 2.763 3.418 ( -5.065 0.151 -0.925) 5.151 3.480 ( -2.255 -0.456 -0.802) 2.437 3.540 ( 0.353 -0.661 0.431) 0.865 3.666 ( 2.477 -0.406 1.843) 3.114 3.753 ( 0.981 0.390 -3.482) 3.639 3.813 ( 2.976 -0.502 2.979) 4.241 4.110 ( -4.671 1.479 -1.325) 5.076 4.261 ( 1.810 1.125 4.846) 5.294 4.331 ( -2.154 -2.159 0.013) 3.050 4.388 ( -0.839 -1.309 -0.912) 1.803 4.546 ( -3.586 1.297 -1.520) 4.106 4.594 ( -4.492 4.537 -4.298) 7.696 4.695 ( 0.749 -1.509 0.559) 1.774 4.750 ( 1.357 1.252 -0.161) 1.853 5.083 ( -6.606 -1.868 4.301) 8.101 5.122 ( -6.379 0.109 2.010) 6.689 5.229 ( -2.190 -1.052 0.164) 2.435 5.311 ( 3.091 0.463 2.714) 4.139 5.442 ( 4.906 -0.132 -2.311) 5.424 5.450 ( 3.349 -2.412 -0.586) 4.169 5.643 ( -0.527 3.578 -1.703) 3.997 5.728 ( 3.421 0.328 -2.883) 4.485 6.103 ( -3.759 -3.999 2.320) 5.959 6.273 ( -0.370 -8.100 0.364) 8.117 7.218 ( 5.803 -0.376 -2.805) 6.456 7.368 ( -0.038 -1.550 0.897) 1.792 7.393 ( 9.728 -2.332 5.451) 11.392 7.455 ( 4.044 -0.737 1.487) 4.371 7.888 ( -0.226 -1.126 -0.081) 1.152 8.004 ( 8.443 -6.221 -0.192) 10.489 8.428 ( -8.957 -2.073 -10.156) 13.699 8.743 ( 3.602 -6.085 1.127) 7.161 10.120 ( -1.185 0.138 -0.417) 1.264 10.135 ( -0.280 -0.348 0.431) 0.621 10.165 ( -0.045 -0.060 -0.010) 0.076 10.170 ( 0.035 0.019 0.025) 0.048 13.695 ( -1.589 2.000 -0.100) 2.556 13.729 ( -1.510 4.282 -0.145) 4.543 13.839 ( 0.020 3.886 -2.511) 4.627 13.959 ( -0.048 3.970 4.149) 5.743 14.532 ( -3.590 1.743 3.476) 5.293 14.716 ( -2.527 2.072 0.369) 3.288 14.897 ( 5.632 -0.359 2.821) 6.310 15.033 ( 15.781 -0.817 5.872) 16.858 15.432 ( -8.244 -1.856 -4.464) 9.557 15.493 ( -3.694 -0.170 2.211) 4.309 15.777 ( -7.041 -4.713 -9.501) 12.730 16.077 ( 0.249 -9.759 -0.432) 9.772 ======================= Grid point 109 (51/60) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 11.170 3.001 -7.157) 13.601 0.876 ( 7.808 3.226 4.433) 9.541 1.107 ( 6.726 0.254 2.099) 7.051 1.179 ( 10.068 2.538 -1.801) 10.538 1.316 ( -0.526 -1.155 2.241) 2.575 1.415 ( -1.040 1.270 -1.817) 2.448 1.437 ( 2.399 0.612 -0.035) 2.476 1.531 ( 8.422 -1.694 -0.608) 8.612 1.533 ( 6.237 -0.130 -5.242) 8.148 1.631 ( 5.631 0.262 1.866) 5.938 1.727 ( 2.666 2.622 1.740) 4.124 1.819 ( -3.477 -0.270 2.400) 4.234 1.865 ( -2.482 0.714 3.712) 4.522 1.966 ( -3.172 1.022 -1.106) 3.512 2.067 ( -0.691 -3.261 -0.460) 3.365 2.154 ( -1.975 -1.450 0.081) 2.452 2.261 ( 9.736 2.006 -2.603) 10.276 2.298 ( 3.698 0.673 3.418) 5.080 2.392 ( 2.659 0.335 -3.138) 4.127 2.485 ( 7.842 0.581 1.972) 8.107 2.521 ( 2.373 -0.432 -2.629) 3.568 2.675 ( -1.251 -1.915 1.026) 2.507 2.859 ( 1.129 -0.802 -0.802) 1.601 2.910 ( 1.982 -0.349 2.252) 3.020 3.322 ( -3.624 0.655 0.771) 3.762 3.417 ( -3.474 -0.350 -1.464) 3.786 3.582 ( 3.477 -1.049 -0.527) 3.670 3.697 ( 0.926 -0.945 -1.090) 1.714 3.777 ( 0.908 0.605 1.695) 2.016 3.868 ( 0.872 -0.313 0.730) 1.179 4.036 ( -1.106 2.089 -0.364) 2.391 4.257 ( -2.689 -0.366 -0.375) 2.740 4.276 ( -3.317 -1.063 3.962) 5.275 4.373 ( 0.555 -0.010 2.216) 2.285 4.459 ( -5.049 2.512 -5.024) 7.553 4.530 ( -0.885 1.714 -3.377) 3.889 4.724 ( 1.668 -0.605 -0.094) 1.777 4.761 ( -0.065 1.078 -0.294) 1.119 4.960 ( -4.596 -1.785 2.917) 5.729 5.020 ( -3.314 -0.249 0.888) 3.440 5.183 ( -1.020 0.029 -0.287) 1.060 5.361 ( -1.105 -1.600 0.344) 1.975 5.438 ( -0.957 -0.315 2.532) 2.725 5.522 ( 1.451 -2.035 -2.139) 3.290 5.705 ( 6.129 5.218 -2.559) 8.446 5.819 ( 4.669 0.852 -2.032) 5.163 6.113 ( 3.351 -1.614 0.679) 3.781 6.267 ( -0.534 -4.079 3.555) 5.438 7.272 ( 0.395 -0.214 -5.231) 5.250 7.341 ( -1.717 0.285 1.103) 2.060 7.504 ( 3.994 -2.032 3.532) 5.706 7.580 ( 3.574 0.843 6.364) 7.347 7.880 ( -0.699 -0.218 1.578) 1.739 8.173 ( -3.084 -7.302 -3.061) 8.497 8.293 ( 6.312 -3.376 -6.615) 9.746 8.756 ( -2.150 -6.521 -0.577) 6.890 10.098 ( -0.741 0.191 -0.370) 0.850 10.130 ( -0.386 -0.576 0.552) 0.886 10.159 ( -0.315 -0.084 -0.296) 0.440 10.173 ( 0.181 -0.176 0.115) 0.278 13.676 ( -0.465 2.457 1.614) 2.976 13.701 ( -0.823 3.603 -0.719) 3.765 13.847 ( 0.424 2.856 -3.775) 4.753 13.931 ( -2.361 2.429 3.053) 4.560 14.516 ( 1.002 1.440 1.918) 2.599 14.665 ( -2.609 2.101 0.534) 3.392 15.009 ( 4.286 -0.642 4.879) 6.526 15.235 ( -6.891 0.145 -6.265) 9.314 15.287 ( 4.775 -4.199 4.884) 8.018 15.423 ( -2.372 0.884 2.191) 3.348 15.712 ( 1.686 -3.237 -5.284) 6.422 16.024 ( -4.228 -7.498 -1.811) 8.797 ======================= Grid point 110 (52/60) ======================= q-point: ( 0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 9.928 1.700 -4.285) 10.946 1.039 ( 5.520 3.058 3.099) 7.030 1.217 ( 2.319 -2.665 -2.058) 4.089 1.266 ( -4.134 -1.027 0.471) 4.286 1.305 ( 2.376 0.944 5.502) 6.067 1.414 ( 3.047 2.523 -4.826) 6.240 1.435 ( -2.937 1.637 -0.602) 3.415 1.497 ( -1.444 2.686 -2.164) 3.739 1.627 ( -0.148 -0.525 -0.973) 1.116 1.677 ( -4.881 0.134 6.174) 7.871 1.783 ( 5.266 -0.145 1.236) 5.411 1.846 ( 6.764 -1.497 -0.659) 6.959 1.898 ( -3.262 -0.096 -1.287) 3.508 1.948 ( 3.680 -0.308 2.244) 4.321 2.016 ( -2.893 -2.163 1.083) 3.772 2.073 ( -4.019 -1.175 -2.612) 4.935 2.391 ( 3.493 -0.394 -1.946) 4.018 2.400 ( 2.182 0.152 3.370) 4.018 2.460 ( 4.446 2.680 -3.927) 6.509 2.508 ( -1.446 0.874 0.789) 1.865 2.659 ( 5.417 -0.278 1.655) 5.671 2.699 ( 1.253 -1.176 -1.422) 2.230 2.892 ( 2.231 -0.793 -2.283) 3.289 2.924 ( -0.742 -0.606 3.316) 3.452 3.288 ( 0.481 0.455 2.247) 2.342 3.340 ( -3.572 -0.080 -2.268) 4.232 3.662 ( 3.658 -1.238 -0.924) 3.971 3.706 ( -0.420 -1.282 -0.405) 1.408 3.790 ( 0.546 1.322 3.351) 3.644 3.830 ( -2.907 1.326 -1.770) 3.653 4.083 ( 4.546 -0.421 -3.812) 5.948 4.185 ( -5.647 -0.806 6.582) 8.710 4.239 ( 1.905 1.026 2.246) 3.119 4.325 ( -4.919 2.463 -5.507) 7.784 4.436 ( 2.466 0.007 3.466) 4.254 4.495 ( -2.266 -0.105 -4.329) 4.887 4.750 ( 0.841 0.493 -0.324) 1.027 4.759 ( -0.093 0.649 0.173) 0.678 4.928 ( 0.524 -1.140 1.731) 2.137 4.963 ( -2.386 -0.968 -0.491) 2.621 5.199 ( 2.561 0.758 0.020) 2.671 5.278 ( -4.719 0.298 -0.325) 4.739 5.465 ( 1.759 -1.049 3.513) 4.066 5.506 ( -1.742 -1.575 -3.171) 3.946 5.829 ( 5.024 3.233 -2.684) 6.550 5.877 ( 0.346 1.816 1.077) 2.139 6.193 ( 3.683 -1.759 -0.582) 4.123 6.249 ( -1.817 -2.409 2.466) 3.897 7.271 ( 0.690 0.411 -3.448) 3.540 7.299 ( -2.187 1.040 1.850) 3.047 7.587 ( 3.162 -1.447 2.779) 4.451 7.621 ( 0.164 0.100 1.384) 1.397 7.887 ( 2.018 0.095 6.271) 6.588 8.001 ( -7.704 -1.976 -9.641) 12.498 8.504 ( 9.640 -6.410 0.471) 11.586 8.667 ( -6.168 -6.162 -0.598) 8.739 10.094 ( 0.481 -0.058 -0.131) 0.502 10.113 ( -1.137 -0.390 0.090) 1.205 10.162 ( 0.514 -0.243 0.078) 0.574 10.172 ( -0.344 -0.288 -0.043) 0.451 13.675 ( 0.251 2.895 2.632) 3.921 13.689 ( -0.524 2.672 -1.906) 3.324 13.853 ( 1.058 1.951 -4.028) 4.599 13.885 ( -2.245 1.653 3.129) 4.190 14.556 ( 2.419 1.650 0.600) 2.989 14.610 ( -2.718 1.881 0.239) 3.314 15.070 ( 1.336 -0.588 6.162) 6.333 15.115 ( -3.175 -0.439 -6.570) 7.310 15.340 ( 1.897 -1.259 0.779) 2.406 15.387 ( -2.178 0.227 0.405) 2.227 15.804 ( 5.861 -4.592 1.485) 7.592 15.922 ( -5.254 -5.772 -2.557) 8.214 ======================= Grid point 114 (53/60) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -2.406 5.431 -7.657) 9.691 0.714 ( 2.406 5.431 7.657) 9.691 0.885 ( 0.154 5.537 -6.315) 8.400 0.885 ( -0.154 5.537 6.315) 8.400 1.183 ( 1.119 3.328 -8.597) 9.287 1.183 ( -1.119 3.328 8.597) 9.287 1.354 ( -0.059 1.095 -1.465) 1.830 1.354 ( 0.059 1.095 1.465) 1.830 1.501 ( -0.623 0.711 -5.185) 5.271 1.501 ( 0.623 0.711 5.185) 5.271 1.833 ( -3.677 -1.620 -3.028) 5.031 1.833 ( 3.677 -1.620 3.028) 5.031 1.873 ( -2.802 -2.436 -0.402) 3.735 1.873 ( 2.802 -2.436 0.402) 3.735 2.062 ( 0.500 1.314 -6.756) 6.900 2.062 ( -0.500 1.314 6.756) 6.900 2.142 ( 1.506 0.390 -3.415) 3.753 2.142 ( -1.506 0.390 3.415) 3.753 2.417 ( -0.751 -0.494 -2.758) 2.901 2.417 ( 0.751 -0.494 2.758) 2.901 2.644 ( -6.312 -0.409 -0.829) 6.380 2.644 ( 6.312 -0.409 0.829) 6.380 2.790 ( 1.783 -0.940 -1.703) 2.639 2.790 ( -1.783 -0.940 1.703) 2.639 3.469 ( -1.238 -0.949 -0.194) 1.572 3.469 ( 1.238 -0.949 0.194) 1.572 3.590 ( -3.412 -0.073 -1.627) 3.781 3.590 ( 3.412 -0.073 1.627) 3.781 3.758 ( -0.639 -0.317 -4.324) 4.382 3.758 ( 0.639 -0.317 4.324) 4.382 4.206 ( -1.899 -0.036 -2.699) 3.300 4.206 ( 1.899 -0.036 2.699) 3.300 4.372 ( -1.156 1.127 -2.110) 2.657 4.372 ( 1.156 1.127 2.110) 2.657 4.638 ( -0.801 -0.580 -3.561) 3.696 4.638 ( 0.801 -0.580 3.561) 3.696 4.768 ( 3.741 4.803 -4.406) 7.515 4.768 ( -3.741 4.803 4.406) 7.515 5.138 ( 3.492 -4.280 -3.333) 6.451 5.138 ( -3.492 -4.280 3.333) 6.451 5.272 ( -0.691 0.917 -2.860) 3.082 5.272 ( 0.691 0.917 2.860) 3.082 5.383 ( 1.018 0.167 -1.590) 1.895 5.383 ( -1.018 0.167 1.590) 1.895 5.697 ( -1.091 1.355 -0.263) 1.759 5.697 ( 1.091 1.355 0.263) 1.759 6.005 ( 0.438 -9.405 -3.324) 9.985 6.005 ( -0.438 -9.405 3.324) 9.985 7.158 ( -0.647 0.609 -4.652) 4.736 7.158 ( 0.647 0.609 4.652) 4.736 7.367 ( -1.981 -2.023 -1.622) 3.263 7.367 ( 1.981 -2.023 1.622) 3.263 7.876 ( -0.701 -0.726 -1.310) 1.653 7.876 ( 0.701 -0.726 1.310) 1.653 8.533 ( -3.686 -3.371 -8.311) 9.696 8.533 ( 3.686 -3.371 8.311) 9.696 10.135 ( -0.095 -0.037 -0.300) 0.317 10.135 ( 0.095 -0.037 0.300) 0.317 10.166 ( -0.096 -0.129 -0.173) 0.236 10.166 ( 0.096 -0.129 0.173) 0.236 13.792 ( -1.998 2.916 -0.338) 3.551 13.792 ( 1.998 2.916 0.338) 3.551 13.978 ( -1.652 2.165 -5.834) 6.438 13.978 ( 1.652 2.165 5.834) 6.438 14.745 ( -7.303 1.416 -0.120) 7.440 14.745 ( 7.303 1.416 0.120) 7.440 14.825 ( -0.973 2.390 -3.154) 4.075 14.825 ( 0.973 2.390 3.154) 4.075 15.509 ( -1.677 -0.685 -4.411) 4.768 15.509 ( 1.677 -0.685 4.411) 4.768 15.777 ( -5.303 -8.355 -7.680) 12.526 15.777 ( 5.303 -8.355 7.680) 12.526 ======================= Grid point 116 (54/60) ======================= q-point: ( 0.14 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 4.008 6.974 -9.359) 12.341 0.822 ( 5.542 4.626 7.777) 10.611 0.995 ( 10.222 4.854 0.098) 11.316 1.044 ( 8.930 4.053 0.601) 9.826 1.245 ( 5.832 1.756 2.202) 6.476 1.299 ( 11.054 2.130 1.249) 11.326 1.376 ( 2.563 1.427 -0.445) 2.967 1.381 ( 1.880 0.085 0.345) 1.913 1.477 ( 0.676 -0.995 -3.066) 3.293 1.548 ( 1.947 0.654 0.494) 2.112 1.783 ( -2.720 0.324 2.834) 3.942 1.822 ( 1.241 -0.850 -4.077) 4.345 1.932 ( 3.171 -2.995 -1.886) 4.752 1.966 ( 1.024 -2.332 1.531) 2.971 2.022 ( -2.672 1.765 0.262) 3.213 2.118 ( 7.080 1.247 5.797) 9.235 2.154 ( 3.280 1.522 -0.851) 3.714 2.180 ( 2.872 -0.798 -1.738) 3.451 2.375 ( -3.101 -1.285 -2.969) 4.481 2.438 ( 1.703 0.018 2.044) 2.660 2.524 ( -3.572 1.909 -0.448) 4.075 2.686 ( -2.908 -2.551 2.114) 4.408 2.809 ( 2.922 -0.437 1.098) 3.152 2.829 ( 2.823 -1.088 -2.385) 3.852 3.419 ( -3.546 -0.056 -0.723) 3.620 3.463 ( -2.112 -1.107 -0.604) 2.460 3.538 ( -0.384 0.640 -0.476) 0.886 3.647 ( 1.673 -1.393 0.660) 2.275 3.761 ( 1.310 0.275 -2.757) 3.065 3.798 ( 2.642 -0.801 2.853) 3.970 4.153 ( -2.788 2.230 -0.797) 3.658 4.244 ( 1.049 -1.733 1.977) 2.830 4.331 ( -2.324 1.451 -1.124) 2.961 4.386 ( -0.638 0.480 2.650) 2.768 4.579 ( -4.138 1.960 -3.386) 5.695 4.649 ( -0.632 -0.017 1.666) 1.782 4.693 ( -1.403 1.980 0.044) 2.427 4.805 ( -0.410 3.889 -2.569) 4.679 5.013 ( -6.667 -4.394 3.947) 8.907 5.102 ( -5.160 -2.361 -0.498) 5.696 5.226 ( -2.294 0.779 -1.022) 2.629 5.326 ( 1.751 0.785 1.527) 2.452 5.399 ( 2.261 -1.812 -1.061) 3.085 5.436 ( 3.126 -0.537 -1.103) 3.358 5.727 ( 3.910 3.905 0.038) 5.526 5.746 ( 3.808 1.608 -2.100) 4.636 6.001 ( 1.653 -5.115 1.109) 5.489 6.084 ( 4.329 -8.577 1.462) 9.718 7.213 ( 5.166 -0.083 -2.041) 5.555 7.315 ( 6.125 -3.219 1.746) 7.136 7.352 ( 4.197 -0.855 1.829) 4.657 7.428 ( 4.480 -1.669 1.811) 5.112 7.865 ( -0.121 -0.723 -1.106) 1.326 7.907 ( 2.732 -2.594 0.570) 3.810 8.394 ( -7.323 -0.835 -7.696) 10.656 8.600 ( 0.959 -6.624 3.308) 7.466 10.123 ( -0.955 0.093 -0.414) 1.045 10.130 ( -0.510 -0.125 0.385) 0.651 10.163 ( -0.147 -0.120 0.018) 0.190 10.168 ( -0.067 -0.210 0.006) 0.220 13.750 ( -1.516 2.899 -0.017) 3.272 13.805 ( -0.912 2.606 -0.352) 2.783 13.925 ( -0.511 3.590 -1.899) 4.094 14.031 ( -0.248 1.941 1.349) 2.377 14.586 ( -4.330 3.219 2.387) 5.899 14.753 ( -2.174 0.537 1.491) 2.690 14.902 ( 4.987 1.329 1.366) 5.339 15.017 ( 11.500 -0.634 4.323) 12.303 15.401 ( -7.549 -0.715 -6.319) 9.871 15.486 ( -3.254 -0.604 1.587) 3.670 15.669 ( -3.223 -4.550 -6.856) 8.837 15.855 ( 1.042 -9.713 3.484) 10.371 ======================= Grid point 117 (55/60) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 9.112 5.893 -7.602) 13.250 0.954 ( 7.001 3.704 5.053) 9.395 1.137 ( 4.164 2.352 -0.579) 4.817 1.230 ( 7.116 2.047 4.525) 8.678 1.325 ( 0.430 2.321 2.535) 3.464 1.404 ( -0.135 -1.458 -0.660) 1.606 1.455 ( 2.638 -0.794 -0.651) 2.831 1.501 ( 6.478 0.214 1.857) 6.743 1.558 ( 7.576 1.550 -5.903) 9.729 1.627 ( 4.225 -0.803 2.254) 4.855 1.753 ( 0.028 -0.352 -0.074) 0.361 1.822 ( -1.567 1.042 -0.304) 1.907 1.903 ( -2.861 2.208 2.469) 4.376 1.961 ( -2.148 -2.460 -0.225) 3.273 1.997 ( 1.416 -1.621 -2.316) 3.162 2.113 ( -4.485 -2.432 0.244) 5.108 2.317 ( 5.840 3.194 0.736) 6.697 2.323 ( 7.201 1.514 1.733) 7.560 2.393 ( 7.151 -0.218 -2.771) 7.672 2.503 ( 3.874 0.852 2.930) 4.931 2.516 ( 3.416 0.031 -2.436) 4.196 2.624 ( -1.392 -2.557 1.455) 3.255 2.843 ( 1.326 -0.506 -0.481) 1.499 2.894 ( 2.186 -1.111 -0.237) 2.464 3.339 ( -3.473 0.856 0.448) 3.605 3.403 ( -3.259 -0.950 -1.144) 3.583 3.568 ( 3.072 0.007 -1.198) 3.298 3.668 ( 0.762 -1.761 -1.588) 2.491 3.793 ( 1.520 0.794 0.966) 1.968 3.856 ( 1.932 -0.860 1.358) 2.514 4.095 ( -2.536 3.201 0.165) 4.087 4.230 ( -1.811 -0.970 -0.265) 2.071 4.291 ( -2.762 1.018 3.018) 4.216 4.366 ( 0.101 -0.805 2.179) 2.325 4.500 ( -3.464 2.006 -3.310) 5.194 4.576 ( -4.762 1.715 -2.222) 5.528 4.721 ( 2.464 0.377 -0.177) 2.499 4.784 ( -0.818 0.767 -0.222) 1.144 4.919 ( -2.443 -1.552 0.796) 3.001 5.003 ( -3.950 -1.436 0.595) 4.245 5.195 ( -0.170 1.197 -0.594) 1.347 5.334 ( -1.460 -0.934 0.293) 1.758 5.420 ( 0.438 -1.171 2.038) 2.391 5.480 ( 0.712 -1.876 -1.960) 2.805 5.824 ( 5.135 5.434 -0.967) 7.539 5.850 ( 5.474 2.164 -1.387) 6.047 6.064 ( 3.929 -2.903 0.477) 4.908 6.159 ( 2.413 -5.510 1.997) 6.338 7.272 ( 1.104 0.436 -3.891) 4.068 7.349 ( 0.708 0.280 1.572) 1.747 7.461 ( 3.663 -1.741 3.290) 5.222 7.569 ( 4.735 -2.165 4.693) 7.009 7.872 ( 0.701 -0.411 -0.015) 0.812 8.001 ( 4.191 -6.490 -0.600) 7.748 8.257 ( -2.449 -0.195 -7.039) 7.455 8.584 ( -2.619 -8.759 0.973) 9.194 10.102 ( -0.821 0.218 -0.379) 0.930 10.119 ( -0.575 -0.384 0.423) 0.811 10.157 ( -0.311 -0.080 -0.094) 0.335 10.167 ( -0.021 -0.397 0.053) 0.401 13.737 ( 0.090 3.051 1.000) 3.212 13.779 ( -1.211 3.004 -0.508) 3.279 13.914 ( -0.787 3.058 -2.538) 4.051 13.982 ( -3.550 1.794 1.322) 4.191 14.565 ( 1.108 3.114 1.364) 3.576 14.712 ( -2.370 1.602 1.311) 3.147 15.000 ( 3.954 0.130 3.113) 5.034 15.174 ( -0.582 -4.278 -1.553) 4.588 15.271 ( -0.175 1.696 -1.116) 2.038 15.431 ( -1.779 -0.280 2.273) 2.900 15.629 ( 0.308 -3.774 -4.320) 5.745 15.837 ( -2.484 -8.976 0.161) 9.315 ======================= Grid point 118 (56/60) ======================= q-point: ( 0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 8.621 3.674 -3.384) 9.963 1.113 ( 5.505 3.152 1.936) 6.632 1.184 ( 0.852 -0.108 -2.397) 2.546 1.256 ( -5.115 -0.025 0.545) 5.144 1.330 ( 3.458 1.525 5.371) 6.567 1.430 ( -2.001 0.212 -0.364) 2.045 1.481 ( 2.576 1.285 0.763) 2.978 1.559 ( -3.853 0.427 -0.355) 3.892 1.607 ( 4.236 1.790 -1.889) 4.972 1.692 ( -4.052 0.985 1.600) 4.467 1.773 ( 7.005 -2.030 -1.456) 7.437 1.817 ( 3.251 -0.158 -0.802) 3.352 1.881 ( -4.629 -2.221 0.944) 5.220 1.924 ( -3.215 -1.805 0.488) 3.719 1.989 ( 1.820 0.213 1.201) 2.191 2.046 ( -2.282 -1.156 -1.470) 2.951 2.392 ( 2.232 0.485 -1.871) 2.953 2.405 ( 0.276 0.361 2.215) 2.262 2.521 ( 4.165 2.868 -1.881) 5.395 2.534 ( 1.558 1.538 0.704) 2.300 2.648 ( 4.591 -0.779 1.767) 4.981 2.664 ( 2.571 -1.974 -0.835) 3.348 2.877 ( 2.038 -0.434 -1.060) 2.338 2.908 ( -0.690 -0.807 0.726) 1.286 3.299 ( -0.162 0.524 1.713) 1.799 3.335 ( -2.909 -0.425 -1.809) 3.451 3.639 ( 3.271 -0.635 -0.996) 3.477 3.677 ( -0.211 -1.335 -0.815) 1.579 3.821 ( 1.263 1.394 2.106) 2.823 3.857 ( -1.652 0.876 -0.518) 1.941 4.078 ( 1.836 0.168 -2.548) 3.145 4.161 ( -5.562 -1.351 3.807) 6.874 4.282 ( 3.351 2.584 2.799) 5.073 4.377 ( -3.215 1.885 -2.174) 4.315 4.432 ( 0.623 -0.166 0.881) 1.091 4.491 ( -3.292 -0.290 -3.239) 4.628 4.762 ( 1.374 0.655 -0.090) 1.524 4.776 ( -0.177 0.725 0.117) 0.756 4.904 ( 0.542 -0.939 0.423) 1.164 4.936 ( -2.542 -1.377 0.148) 2.895 5.221 ( 2.475 1.215 -0.809) 2.873 5.281 ( -3.149 0.012 0.548) 3.196 5.438 ( 0.960 -1.321 3.473) 3.837 5.466 ( -1.204 -1.947 -3.225) 3.955 5.913 ( 3.138 4.279 -1.723) 5.579 5.929 ( 1.648 2.950 0.705) 3.452 6.142 ( 3.163 -2.929 -0.207) 4.316 6.181 ( -0.555 -3.705 1.266) 3.954 7.292 ( 1.620 1.643 -2.571) 3.455 7.332 ( -2.131 1.945 1.750) 3.374 7.544 ( 3.822 -2.415 2.357) 5.099 7.602 ( -1.149 -2.148 1.022) 2.641 7.894 ( 1.715 0.666 2.181) 2.854 7.964 ( -4.486 -1.082 -4.131) 6.194 8.352 ( 8.294 -6.589 -0.808) 10.624 8.499 ( -5.626 -8.659 -0.112) 10.327 10.094 ( 0.124 0.035 -0.190) 0.229 10.105 ( -0.795 -0.329 0.184) 0.880 10.157 ( 0.266 -0.222 0.058) 0.352 10.164 ( -0.296 -0.451 -0.048) 0.542 13.746 ( 0.397 3.365 2.399) 4.152 13.759 ( -0.634 3.339 -1.788) 3.840 13.898 ( 0.034 1.854 -2.247) 2.913 13.920 ( -2.277 1.290 1.369) 2.953 14.605 ( 2.309 2.692 -0.015) 3.547 14.657 ( -2.817 2.121 0.849) 3.627 15.060 ( 1.616 -0.169 4.429) 4.718 15.102 ( -2.558 -0.776 -5.668) 6.266 15.324 ( 3.117 0.088 1.405) 3.420 15.391 ( -2.865 0.198 0.585) 2.931 15.682 ( 4.220 -6.099 0.366) 7.426 15.769 ( -3.829 -7.726 -1.501) 8.752 ======================= Grid point 122 (57/60) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( -0.489 2.293 -3.023) 3.826 0.802 ( 0.489 2.293 3.023) 3.826 0.989 ( 0.981 3.243 -3.142) 4.621 0.989 ( -0.981 3.243 3.142) 4.621 1.221 ( 0.438 0.174 -4.641) 4.664 1.221 ( -0.438 0.174 4.641) 4.664 1.406 ( 2.271 3.009 -5.171) 6.399 1.406 ( -2.271 3.009 5.171) 6.399 1.493 ( 2.116 -1.290 -6.022) 6.512 1.493 ( -2.116 -1.290 6.022) 6.512 1.803 ( -2.173 -0.797 -2.589) 3.473 1.803 ( 2.173 -0.797 2.589) 3.473 1.831 ( -1.536 -1.242 -1.402) 2.422 1.831 ( 1.536 -1.242 1.402) 2.422 2.074 ( 0.883 -0.057 -3.048) 3.174 2.074 ( -0.883 -0.057 3.048) 3.174 2.168 ( 0.163 1.344 -0.985) 1.674 2.168 ( -0.163 1.344 0.985) 1.674 2.401 ( -1.145 -0.705 -0.951) 1.647 2.401 ( 1.145 -0.705 0.951) 1.647 2.638 ( -2.345 -0.142 -0.195) 2.358 2.638 ( 2.345 -0.142 0.195) 2.358 2.774 ( 0.639 -0.444 -0.599) 0.981 2.774 ( -0.639 -0.444 0.599) 0.981 3.455 ( -0.457 -0.345 -0.167) 0.596 3.455 ( 0.457 -0.345 0.167) 0.596 3.587 ( -1.306 -0.105 -0.783) 1.526 3.587 ( 1.306 -0.105 0.783) 1.526 3.751 ( -0.212 -0.234 -1.772) 1.799 3.751 ( 0.212 -0.234 1.772) 1.799 4.205 ( -0.363 -0.041 -0.850) 0.925 4.205 ( 0.363 -0.041 0.850) 0.925 4.399 ( -0.691 0.876 -0.740) 1.339 4.399 ( 0.691 0.876 0.740) 1.339 4.631 ( -0.174 -0.129 -1.183) 1.203 4.631 ( 0.174 -0.129 1.183) 1.203 4.885 ( 4.700 5.969 -4.996) 9.093 4.885 ( -4.700 5.969 4.996) 9.093 5.020 ( 3.830 -6.225 -5.220) 8.981 5.020 ( -3.830 -6.225 5.220) 8.981 5.293 ( -0.823 0.764 -1.276) 1.700 5.293 ( 0.823 0.764 1.276) 1.700 5.381 ( -0.006 -0.200 -0.210) 0.290 5.381 ( 0.006 -0.200 0.210) 0.290 5.746 ( -0.183 3.204 -1.679) 3.622 5.746 ( 0.183 3.204 1.679) 3.622 5.844 ( -0.033 -5.710 -2.072) 6.074 5.844 ( 0.033 -5.710 2.072) 6.074 7.174 ( -0.767 0.656 -2.210) 2.430 7.174 ( 0.767 0.656 2.210) 2.430 7.328 ( -1.134 -1.214 -1.057) 1.969 7.328 ( 1.134 -1.214 1.057) 1.969 7.869 ( -0.179 -0.059 -0.531) 0.564 7.869 ( 0.179 -0.059 0.531) 0.564 8.480 ( -1.309 -1.366 -3.028) 3.570 8.480 ( 1.309 -1.366 3.028) 3.570 10.135 ( -0.034 0.002 -0.120) 0.125 10.135 ( 0.034 0.002 0.120) 0.125 10.163 ( -0.036 -0.086 -0.086) 0.126 10.163 ( 0.036 -0.086 0.086) 0.126 13.843 ( -1.028 1.519 -0.226) 1.848 13.843 ( 1.028 1.519 0.226) 1.848 13.998 ( -0.631 0.095 -2.444) 2.526 13.998 ( 0.631 0.095 2.444) 2.526 14.755 ( -2.722 0.079 0.591) 2.787 14.755 ( 2.722 0.079 -0.591) 2.787 14.878 ( -0.302 1.621 -1.528) 2.248 14.878 ( 0.302 1.621 1.528) 2.248 15.505 ( -1.412 0.229 -3.518) 3.797 15.505 ( 1.412 0.229 3.518) 3.797 15.644 ( -2.321 -3.630 -4.833) 6.475 15.644 ( 2.321 -3.630 4.833) 6.475 ======================= Grid point 124 (58/60) ======================= q-point: ( 0.14 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 4.723 4.645 -5.933) 8.893 0.892 ( 5.555 1.073 1.334) 5.812 1.094 ( 7.702 3.559 4.473) 9.591 1.117 ( 8.515 1.835 1.637) 8.863 1.277 ( 6.226 1.176 3.176) 7.088 1.305 ( 9.499 -1.112 -2.794) 9.964 1.382 ( -0.165 1.483 4.719) 4.949 1.430 ( -2.628 -1.555 5.070) 5.919 1.461 ( 3.111 3.039 -6.191) 7.566 1.530 ( 1.255 -2.329 -4.563) 5.274 1.791 ( -1.419 0.419 0.195) 1.493 1.807 ( 1.307 -0.847 -2.118) 2.629 1.887 ( 4.335 -0.062 -0.105) 4.337 1.918 ( 3.666 -2.169 1.638) 4.563 2.080 ( -4.282 3.235 0.376) 5.380 2.140 ( 7.599 0.077 -0.360) 7.608 2.147 ( -2.760 -1.422 2.335) 3.885 2.164 ( 6.730 -0.721 -2.142) 7.099 2.381 ( -0.529 1.713 -0.232) 1.808 2.422 ( 1.024 -1.531 1.373) 2.297 2.573 ( -2.856 2.514 0.666) 3.863 2.629 ( -2.700 -2.713 1.503) 4.112 2.803 ( 2.437 -0.089 -0.281) 2.455 2.809 ( 2.617 -0.690 -1.804) 3.253 3.421 ( -2.503 0.390 -0.467) 2.575 3.437 ( -2.152 -1.100 -0.423) 2.454 3.566 ( -0.200 1.856 -1.016) 2.125 3.609 ( 0.675 -2.036 -0.551) 2.215 3.767 ( 1.834 0.429 -0.537) 1.958 3.781 ( 2.290 -0.794 1.639) 2.926 4.194 ( -0.675 1.420 0.330) 1.606 4.216 ( 0.432 -0.941 1.094) 1.506 4.363 ( -2.572 1.472 -0.375) 2.988 4.388 ( -2.068 -0.587 1.359) 2.543 4.621 ( -1.407 1.520 -2.388) 3.161 4.641 ( 0.247 -0.518 -0.014) 0.574 4.759 ( -4.979 4.321 3.318) 7.380 4.856 ( -7.064 -2.599 1.516) 7.678 4.948 ( -0.745 1.721 -2.094) 2.811 5.029 ( -2.551 -4.086 -2.457) 5.407 5.259 ( -1.682 2.147 -1.228) 2.991 5.310 ( 0.283 -2.263 -1.041) 2.507 5.395 ( 1.236 1.124 0.780) 1.844 5.420 ( 1.990 -1.007 0.062) 2.231 5.797 ( 4.734 3.538 -1.603) 6.123 5.815 ( 5.482 3.933 1.412) 6.893 5.895 ( 4.515 -4.521 -0.274) 6.395 5.926 ( 6.134 -6.005 1.762) 8.763 7.219 ( 4.527 0.863 -1.843) 4.963 7.253 ( 4.682 -2.303 -0.574) 5.249 7.355 ( 4.291 1.024 2.400) 5.022 7.389 ( 4.406 -1.885 2.320) 5.325 7.862 ( -0.254 0.265 -0.339) 0.500 7.873 ( 0.495 -0.875 0.491) 1.118 8.403 ( -5.090 1.830 -3.340) 6.357 8.475 ( -2.197 -4.798 0.786) 5.336 10.125 ( -0.795 0.120 -0.148) 0.818 10.128 ( -0.658 -0.106 0.121) 0.677 10.161 ( -0.163 -0.008 0.008) 0.163 10.163 ( -0.140 -0.179 0.007) 0.227 13.808 ( -1.467 2.218 -0.055) 2.660 13.834 ( -1.288 -0.016 -0.202) 1.304 13.991 ( 0.272 2.662 -1.010) 2.860 14.035 ( 0.341 -1.275 -0.092) 1.323 14.661 ( -3.414 3.527 2.056) 5.322 14.728 ( -1.960 -2.495 2.038) 3.771 14.952 ( 4.650 2.746 0.724) 5.449 14.998 ( 7.062 -1.399 2.347) 7.572 15.409 ( -5.733 1.458 -6.416) 8.727 15.455 ( -4.160 -2.344 -3.447) 5.890 15.619 ( -0.714 0.490 0.263) 0.905 15.688 ( 0.490 -5.663 3.976) 6.936 ======================= Grid point 125 (59/60) ======================= q-point: ( 0.29 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 7.239 4.376 -6.330) 10.566 1.010 ( 6.050 0.811 0.360) 6.115 1.198 ( 3.172 3.144 0.912) 4.558 1.249 ( 3.978 -0.820 6.682) 7.819 1.363 ( -1.914 0.299 4.959) 5.324 1.398 ( -0.474 -2.039 3.878) 4.407 1.444 ( 4.906 5.076 0.082) 7.060 1.531 ( 5.892 1.853 -3.114) 6.917 1.562 ( 5.512 -2.448 -0.724) 6.075 1.575 ( 8.382 -3.418 -4.521) 10.118 1.763 ( -1.463 1.983 0.686) 2.558 1.819 ( -0.062 -2.347 -0.775) 2.473 1.916 ( -3.552 1.007 0.910) 3.802 1.944 ( -1.043 -0.429 -0.986) 1.498 1.996 ( -0.623 1.665 -1.368) 2.243 2.052 ( -3.945 -3.053 -0.329) 4.999 2.355 ( 8.739 1.385 -0.183) 8.850 2.379 ( 6.506 -0.599 -1.353) 6.672 2.397 ( 6.787 3.652 2.256) 8.030 2.476 ( 4.827 -3.005 2.405) 6.174 2.545 ( 0.459 1.847 -0.076) 1.905 2.580 ( -0.826 -1.559 1.268) 2.173 2.843 ( 1.884 0.603 -1.052) 2.240 2.866 ( 2.327 -1.365 -1.358) 3.020 3.358 ( -3.199 0.911 -0.030) 3.327 3.380 ( -3.093 -1.138 -0.604) 3.351 3.585 ( 2.220 1.493 -1.795) 3.222 3.625 ( 1.298 -2.076 -1.922) 3.113 3.811 ( 2.032 0.952 1.060) 2.481 3.834 ( 2.230 -1.112 1.376) 2.846 4.162 ( -3.163 2.803 1.524) 4.493 4.208 ( -2.089 -1.426 2.014) 3.233 4.313 ( -1.726 1.146 0.589) 2.154 4.341 ( -0.559 -1.385 0.987) 1.791 4.551 ( -4.291 2.412 -2.258) 5.416 4.587 ( -5.214 -0.685 -1.523) 5.475 4.740 ( 1.665 1.429 0.704) 2.304 4.776 ( -0.530 -1.507 0.778) 1.777 4.918 ( -1.593 1.481 -1.244) 2.506 4.962 ( -3.188 -2.242 -0.566) 3.938 5.236 ( -0.130 2.593 -1.123) 2.828 5.297 ( -1.025 -2.713 -1.088) 3.098 5.414 ( 0.380 0.818 1.245) 1.537 5.443 ( 0.088 -1.618 0.111) 1.624 5.907 ( 5.367 3.293 -0.468) 6.314 5.932 ( 5.066 4.042 0.319) 6.489 5.995 ( 4.709 -2.956 -0.170) 5.562 6.045 ( 4.458 -4.946 0.659) 6.691 7.294 ( 2.641 1.619 -2.024) 3.701 7.335 ( 3.248 -1.757 0.293) 3.704 7.452 ( 3.259 1.225 2.741) 4.431 7.503 ( 4.528 -3.225 2.772) 6.212 7.874 ( 1.717 0.842 -0.189) 1.922 7.910 ( 3.000 -2.588 0.255) 3.970 8.292 ( -4.257 3.555 -3.333) 6.470 8.408 ( -3.797 -7.146 -0.363) 8.100 10.107 ( -0.800 0.252 -0.175) 0.856 10.113 ( -0.738 -0.264 0.134) 0.795 10.156 ( -0.269 0.015 0.014) 0.269 10.159 ( -0.191 -0.261 0.027) 0.324 13.795 ( 0.147 2.097 0.532) 2.168 13.816 ( -0.394 0.342 -0.006) 0.522 13.969 ( -2.143 1.979 -1.574) 3.314 13.996 ( -3.406 -0.433 -0.034) 3.434 14.642 ( 0.605 3.775 1.689) 4.179 14.709 ( -0.808 -1.966 1.770) 2.766 15.028 ( 2.547 2.458 0.851) 3.640 15.093 ( 1.142 -3.404 -0.615) 3.643 15.324 ( -0.756 3.187 -1.879) 3.776 15.397 ( -0.797 -3.024 -0.254) 3.138 15.592 ( -1.507 1.033 -1.033) 2.099 15.671 ( -1.986 -6.031 0.765) 6.396 ======================= Grid point 126 (60/60) ======================= q-point: ( 0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 6.694 2.769 -2.872) 7.793 1.142 ( 6.300 -0.211 -2.114) 6.648 1.218 ( -2.369 2.349 0.654) 3.400 1.252 ( -4.591 -0.686 0.527) 4.672 1.372 ( 3.748 2.332 5.437) 7.004 1.419 ( 1.114 -1.565 3.753) 4.216 1.499 ( 1.395 1.229 0.391) 1.900 1.535 ( -2.572 -1.451 -0.303) 2.968 1.675 ( 2.683 2.176 -5.006) 6.082 1.714 ( 3.040 -0.761 -2.168) 3.811 1.729 ( 0.753 1.367 2.386) 2.851 1.802 ( -1.937 -3.301 1.473) 4.101 1.840 ( -1.295 0.905 -0.623) 1.698 1.880 ( -3.960 -2.270 -0.862) 4.645 2.007 ( 1.308 1.029 0.253) 1.683 2.026 ( -0.298 -0.798 -0.552) 1.015 2.407 ( 0.267 0.680 -0.554) 0.916 2.413 ( -0.446 0.181 0.956) 1.071 2.569 ( 4.701 1.925 -1.289) 5.241 2.581 ( 2.748 2.349 1.892) 4.081 2.615 ( 4.531 -2.154 -1.873) 5.355 2.626 ( 2.788 -1.643 2.730) 4.234 2.877 ( 1.402 0.409 -0.948) 1.741 2.891 ( 0.206 -0.778 -0.519) 0.957 3.310 ( -1.022 0.527 0.652) 1.322 3.323 ( -1.979 -0.628 -0.741) 2.205 3.637 ( 2.281 0.366 -1.142) 2.577 3.652 ( 0.884 -0.956 -1.191) 1.765 3.847 ( 1.322 1.013 1.068) 1.979 3.862 ( 0.238 -0.348 0.386) 0.572 4.095 ( -1.707 1.333 -0.123) 2.170 4.128 ( -4.422 -1.634 1.894) 5.081 4.338 ( 3.625 2.438 2.667) 5.118 4.380 ( 2.850 -1.363 2.106) 3.796 4.451 ( -4.646 1.602 -3.050) 5.784 4.479 ( -4.499 -0.909 -2.992) 5.479 4.776 ( 1.237 0.586 0.286) 1.399 4.784 ( 0.396 -0.055 0.236) 0.464 4.894 ( -0.394 0.111 -0.241) 0.475 4.908 ( -1.807 -1.124 0.039) 2.128 5.250 ( 1.329 1.446 -1.007) 2.207 5.275 ( -1.073 -0.722 -0.122) 1.299 5.418 ( 0.134 -0.291 1.380) 1.417 5.430 ( -0.895 -1.299 -0.538) 1.666 5.994 ( 2.586 3.211 0.539) 4.158 6.004 ( 1.667 3.612 -0.638) 4.029 6.075 ( 2.764 -2.960 0.036) 4.050 6.098 ( 0.649 -3.807 0.039) 3.862 7.338 ( 1.989 2.418 -1.073) 3.310 7.367 ( -0.372 0.506 0.814) 1.028 7.503 ( 2.043 -0.563 1.408) 2.544 7.538 ( -0.774 -3.147 0.465) 3.274 7.918 ( 2.075 1.535 0.377) 2.608 7.948 ( -0.253 -0.927 -0.230) 0.988 8.266 ( 2.132 -0.614 -1.135) 2.492 8.332 ( -3.528 -6.190 -0.523) 7.144 10.096 ( -0.192 0.142 -0.098) 0.258 10.100 ( -0.489 -0.186 0.080) 0.529 10.153 ( 0.001 -0.057 0.037) 0.068 10.155 ( -0.167 -0.271 -0.016) 0.319 13.806 ( 0.499 1.849 1.069) 2.194 13.812 ( -0.097 1.308 -0.389) 1.368 13.925 ( -1.183 0.738 -1.366) 1.952 13.933 ( -2.055 -0.010 0.404) 2.095 14.660 ( 0.815 2.123 0.298) 2.293 14.683 ( -1.539 0.074 0.559) 1.639 15.067 ( 1.175 0.696 1.501) 2.029 15.084 ( -0.571 -0.841 -2.587) 2.780 15.349 ( 2.162 2.096 0.963) 3.162 15.389 ( -1.145 -0.859 1.022) 1.759 15.582 ( 1.067 -1.960 -0.595) 2.309 15.623 ( -2.411 -5.179 -0.788) 5.767 =================== 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 3/14112 10.0 17.891 8.811 14.060 0.000 0.375 0.000 3/14112 20.0 6.795 2.639 4.141 0.000 -0.156 0.000 3/14112 30.0 3.807 1.393 2.241 0.000 -0.120 0.000 3/14112 40.0 2.560 0.920 1.481 0.000 -0.080 0.000 3/14112 50.0 1.895 0.678 1.084 0.000 -0.054 0.000 3/14112 60.0 1.493 0.534 0.848 0.000 -0.038 0.000 3/14112 70.0 1.227 0.440 0.694 0.000 -0.028 0.000 3/14112 80.0 1.040 0.375 0.587 0.000 -0.022 0.000 3/14112 90.0 0.903 0.327 0.510 0.000 -0.017 0.000 3/14112 100.0 0.799 0.291 0.451 0.000 -0.013 0.000 3/14112 110.0 0.718 0.263 0.406 0.000 -0.011 0.000 3/14112 120.0 0.652 0.240 0.370 0.000 -0.008 0.000 3/14112 130.0 0.598 0.222 0.340 0.000 -0.006 0.000 3/14112 140.0 0.554 0.207 0.315 0.000 -0.005 0.000 3/14112 150.0 0.516 0.194 0.295 0.000 -0.003 0.000 3/14112 160.0 0.483 0.183 0.277 0.000 -0.002 0.000 3/14112 170.0 0.455 0.173 0.262 0.000 -0.001 0.000 3/14112 180.0 0.430 0.165 0.248 0.000 0.000 0.000 3/14112 190.0 0.408 0.158 0.236 0.000 0.001 0.000 3/14112 200.0 0.389 0.151 0.226 0.000 0.002 0.000 3/14112 210.0 0.371 0.145 0.216 0.000 0.003 0.000 3/14112 220.0 0.355 0.140 0.207 0.000 0.003 0.000 3/14112 230.0 0.341 0.135 0.199 0.000 0.004 0.000 3/14112 240.0 0.327 0.130 0.192 0.000 0.004 0.000 3/14112 250.0 0.315 0.126 0.185 0.000 0.004 0.000 3/14112 260.0 0.304 0.122 0.179 0.000 0.005 0.000 3/14112 270.0 0.293 0.118 0.173 0.000 0.005 0.000 3/14112 280.0 0.283 0.114 0.167 0.000 0.005 0.000 3/14112 290.0 0.274 0.111 0.162 0.000 0.005 0.000 3/14112 300.0 0.266 0.108 0.157 0.000 0.005 0.000 3/14112 310.0 0.258 0.105 0.153 0.000 0.006 0.000 3/14112 320.0 0.250 0.102 0.149 0.000 0.006 0.000 3/14112 330.0 0.243 0.100 0.144 0.000 0.006 0.000 3/14112 340.0 0.236 0.097 0.141 0.000 0.006 0.000 3/14112 350.0 0.230 0.095 0.137 0.000 0.006 0.000 3/14112 360.0 0.224 0.093 0.134 0.000 0.006 0.000 3/14112 370.0 0.218 0.090 0.130 0.000 0.006 0.000 3/14112 380.0 0.213 0.088 0.127 0.000 0.006 0.000 3/14112 390.0 0.208 0.086 0.124 0.000 0.006 0.000 3/14112 400.0 0.203 0.084 0.121 0.000 0.006 0.000 3/14112 410.0 0.198 0.083 0.119 0.000 0.006 0.000 3/14112 420.0 0.194 0.081 0.116 0.000 0.006 0.000 3/14112 430.0 0.189 0.079 0.114 0.000 0.006 0.000 3/14112 440.0 0.185 0.078 0.111 0.000 0.006 0.000 3/14112 450.0 0.181 0.076 0.109 0.000 0.006 0.000 3/14112 460.0 0.177 0.075 0.107 0.000 0.006 0.000 3/14112 470.0 0.174 0.073 0.105 0.000 0.006 0.000 3/14112 480.0 0.170 0.072 0.103 0.000 0.006 0.000 3/14112 490.0 0.167 0.070 0.101 0.000 0.006 0.000 3/14112 500.0 0.164 0.069 0.099 0.000 0.005 0.000 3/14112 510.0 0.161 0.068 0.097 0.000 0.005 0.000 3/14112 520.0 0.158 0.067 0.095 0.000 0.005 0.000 3/14112 530.0 0.155 0.066 0.093 0.000 0.005 0.000 3/14112 540.0 0.152 0.064 0.092 0.000 0.005 0.000 3/14112 550.0 0.150 0.063 0.090 0.000 0.005 0.000 3/14112 560.0 0.147 0.062 0.089 0.000 0.005 0.000 3/14112 570.0 0.144 0.061 0.087 0.000 0.005 0.000 3/14112 580.0 0.142 0.060 0.086 0.000 0.005 0.000 3/14112 590.0 0.140 0.059 0.084 0.000 0.005 0.000 3/14112 600.0 0.137 0.058 0.083 0.000 0.005 0.000 3/14112 610.0 0.135 0.058 0.082 0.000 0.005 0.000 3/14112 620.0 0.133 0.057 0.081 0.000 0.005 0.000 3/14112 630.0 0.131 0.056 0.079 0.000 0.005 0.000 3/14112 640.0 0.129 0.055 0.078 0.000 0.005 0.000 3/14112 650.0 0.127 0.054 0.077 0.000 0.005 0.000 3/14112 660.0 0.125 0.053 0.076 0.000 0.005 0.000 3/14112 670.0 0.123 0.053 0.075 0.000 0.005 0.000 3/14112 680.0 0.122 0.052 0.074 0.000 0.005 0.000 3/14112 690.0 0.120 0.051 0.073 0.000 0.005 0.000 3/14112 700.0 0.118 0.051 0.072 0.000 0.005 0.000 3/14112 710.0 0.117 0.050 0.071 0.000 0.004 0.000 3/14112 720.0 0.115 0.049 0.070 0.000 0.004 0.000 3/14112 730.0 0.114 0.049 0.069 0.000 0.004 0.000 3/14112 740.0 0.112 0.048 0.068 0.000 0.004 0.000 3/14112 750.0 0.111 0.047 0.067 0.000 0.004 0.000 3/14112 760.0 0.109 0.047 0.066 0.000 0.004 0.000 3/14112 770.0 0.108 0.046 0.065 0.000 0.004 0.000 3/14112 780.0 0.106 0.046 0.065 0.000 0.004 0.000 3/14112 790.0 0.105 0.045 0.064 0.000 0.004 0.000 3/14112 800.0 0.104 0.045 0.063 0.000 0.004 0.000 3/14112 810.0 0.103 0.044 0.062 0.000 0.004 0.000 3/14112 820.0 0.101 0.043 0.062 0.000 0.004 0.000 3/14112 830.0 0.100 0.043 0.061 0.000 0.004 0.000 3/14112 840.0 0.099 0.042 0.060 0.000 0.004 0.000 3/14112 850.0 0.098 0.042 0.059 0.000 0.004 0.000 3/14112 860.0 0.097 0.042 0.059 0.000 0.004 0.000 3/14112 870.0 0.096 0.041 0.058 0.000 0.004 0.000 3/14112 880.0 0.095 0.041 0.057 0.000 0.004 0.000 3/14112 890.0 0.094 0.040 0.057 0.000 0.004 0.000 3/14112 900.0 0.093 0.040 0.056 0.000 0.004 0.000 3/14112 910.0 0.092 0.039 0.056 0.000 0.004 0.000 3/14112 920.0 0.091 0.039 0.055 0.000 0.004 0.000 3/14112 930.0 0.090 0.039 0.054 0.000 0.004 0.000 3/14112 940.0 0.089 0.038 0.054 0.000 0.004 0.000 3/14112 950.0 0.088 0.038 0.053 0.000 0.004 0.000 3/14112 960.0 0.087 0.037 0.053 0.000 0.004 0.000 3/14112 970.0 0.086 0.037 0.052 0.000 0.003 0.000 3/14112 980.0 0.085 0.037 0.052 0.000 0.003 0.000 3/14112 990.0 0.084 0.036 0.051 0.000 0.003 0.000 3/14112 1000.0 0.083 0.036 0.051 0.000 0.003 0.000 3/14112 Thermal conductivity related properties were written into "kappa-m774.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:18:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|