----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 02:50:19]------------------------- 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: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.851008540000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.299757050000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.602676270000000 Atomic positions (fractional): *1 Sr 0.74658742965337 0.25000000000000 0.65083315272018 87.620 2 Sr 0.75341257034663 0.75000000000000 0.15083315272018 87.620 3 Sr 0.24658742965337 0.25000000000000 0.84916684727982 87.620 4 Sr 0.25341257034663 0.75000000000000 0.34916684727982 87.620 *5 Lu 0.57427110035815 0.25000000000000 0.88834469123762 174.967 *6 Lu 0.57806433969624 0.25000000000000 0.39107620157463 174.967 7 Lu 0.92193566030376 0.75000000000000 0.89107620157463 174.967 8 Lu 0.92572889964185 0.75000000000000 0.38834469123762 174.967 9 Lu 0.07427110035815 0.25000000000000 0.61165530876238 174.967 10 Lu 0.07806433969624 0.25000000000000 0.10892379842537 174.967 11 Lu 0.42193566030376 0.75000000000000 0.60892379842537 174.967 12 Lu 0.42572889964185 0.75000000000000 0.11165530876238 174.967 *13 O 0.51754560365043 0.75000000000000 0.28328847819960 15.999 *14 O 0.57426659821681 0.25000000000000 0.07632599556337 15.999 *15 O 0.62195753969718 0.75000000000000 0.51981931159010 15.999 *16 O 0.71004108664575 0.75000000000000 0.83115168063443 15.999 17 O 0.78995891335425 0.25000000000000 0.33115168063443 15.999 18 O 0.87804246030282 0.25000000000000 0.01981931159010 15.999 19 O 0.92573340178319 0.75000000000000 0.57632599556336 15.999 20 O 0.98245439634957 0.25000000000000 0.78328847819960 15.999 21 O 0.01754560365043 0.75000000000000 0.21671152180040 15.999 22 O 0.07426659821681 0.25000000000000 0.42367400443663 15.999 23 O 0.12195753969718 0.75000000000000 0.98018068840990 15.999 24 O 0.21004108664575 0.75000000000000 0.66884831936557 15.999 25 O 0.28995891335425 0.25000000000000 0.16884831936557 15.999 26 O 0.37804246030282 0.25000000000000 0.48018068840990 15.999 27 O 0.42573340178319 0.75000000000000 0.92367400443664 15.999 28 O 0.48245439634957 0.25000000000000 0.71671152180040 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.851008540000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.299757050000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.602676270000000 Atomic positions (fractional): *1 Sr 0.74658742965337 0.25000000000000 0.65083315272018 87.620 > 1 2 Sr 0.75341257034663 0.75000000000000 0.15083315272018 87.620 > 2 3 Sr 0.24658742965337 0.25000000000000 0.84916684727982 87.620 > 3 4 Sr 0.25341257034663 0.75000000000000 0.34916684727982 87.620 > 4 *5 Lu 0.57427110035815 0.25000000000000 0.88834469123762 174.967 > 5 *6 Lu 0.57806433969624 0.25000000000000 0.39107620157463 174.967 > 6 7 Lu 0.92193566030376 0.75000000000000 0.89107620157463 174.967 > 7 8 Lu 0.92572889964185 0.75000000000000 0.38834469123762 174.967 > 8 9 Lu 0.07427110035815 0.25000000000000 0.61165530876238 174.967 > 9 10 Lu 0.07806433969624 0.25000000000000 0.10892379842537 174.967 > 10 11 Lu 0.42193566030376 0.75000000000000 0.60892379842537 174.967 > 11 12 Lu 0.42572889964185 0.75000000000000 0.11165530876238 174.967 > 12 *13 O 0.51754560365043 0.75000000000000 0.28328847819960 15.999 > 13 *14 O 0.57426659821681 0.25000000000000 0.07632599556337 15.999 > 14 *15 O 0.62195753969718 0.75000000000000 0.51981931159010 15.999 > 15 *16 O 0.71004108664575 0.75000000000000 0.83115168063443 15.999 > 16 17 O 0.78995891335425 0.25000000000000 0.33115168063443 15.999 > 17 18 O 0.87804246030282 0.25000000000000 0.01981931159010 15.999 > 18 19 O 0.92573340178319 0.75000000000000 0.57632599556336 15.999 > 19 20 O 0.98245439634957 0.25000000000000 0.78328847819960 15.999 > 20 21 O 0.01754560365043 0.75000000000000 0.21671152180040 15.999 > 21 22 O 0.07426659821681 0.25000000000000 0.42367400443663 15.999 > 22 23 O 0.12195753969718 0.75000000000000 0.98018068840990 15.999 > 23 24 O 0.21004108664575 0.75000000000000 0.66884831936557 15.999 > 24 25 O 0.28995891335425 0.25000000000000 0.16884831936557 15.999 > 25 26 O 0.37804246030282 0.25000000000000 0.48018068840990 15.999 > 26 27 O 0.42573340178319 0.75000000000000 0.92367400443664 15.999 > 27 28 O 0.48245439634957 0.25000000000000 0.71671152180040 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.851008540000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.899271150000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.602676270000000 Atomic positions (fractional): *1 Sr 0.74658742965337 0.08333333333333 0.65083315272018 87.620 > 1 2 Sr 0.74658742965337 0.41666666666667 0.65083315272018 87.620 > 1 3 Sr 0.74658742965337 0.75000000000000 0.65083315272018 87.620 > 1 4 Sr 0.75341257034663 0.25000000000000 0.15083315272018 87.620 > 2 5 Sr 0.75341257034663 0.58333333333333 0.15083315272018 87.620 > 2 6 Sr 0.75341257034663 0.91666666666667 0.15083315272018 87.620 > 2 7 Sr 0.24658742965337 0.08333333333333 0.84916684727982 87.620 > 3 8 Sr 0.24658742965337 0.41666666666667 0.84916684727982 87.620 > 3 9 Sr 0.24658742965337 0.75000000000000 0.84916684727982 87.620 > 3 10 Sr 0.25341257034663 0.25000000000000 0.34916684727982 87.620 > 4 11 Sr 0.25341257034663 0.58333333333333 0.34916684727982 87.620 > 4 12 Sr 0.25341257034663 0.91666666666667 0.34916684727982 87.620 > 4 *13 Lu 0.57427110035815 0.08333333333333 0.88834469123762 174.967 > 5 14 Lu 0.57427110035815 0.41666666666667 0.88834469123762 174.967 > 5 15 Lu 0.57427110035815 0.75000000000000 0.88834469123762 174.967 > 5 *16 Lu 0.57806433969624 0.08333333333333 0.39107620157463 174.967 > 6 17 Lu 0.57806433969624 0.41666666666667 0.39107620157463 174.967 > 6 18 Lu 0.57806433969624 0.75000000000000 0.39107620157463 174.967 > 6 19 Lu 0.92193566030376 0.25000000000000 0.89107620157463 174.967 > 7 20 Lu 0.92193566030376 0.58333333333333 0.89107620157463 174.967 > 7 21 Lu 0.92193566030376 0.91666666666667 0.89107620157463 174.967 > 7 22 Lu 0.92572889964185 0.25000000000000 0.38834469123762 174.967 > 8 23 Lu 0.92572889964185 0.58333333333333 0.38834469123762 174.967 > 8 24 Lu 0.92572889964185 0.91666666666667 0.38834469123762 174.967 > 8 25 Lu 0.07427110035815 0.08333333333333 0.61165530876238 174.967 > 9 26 Lu 0.07427110035815 0.41666666666667 0.61165530876238 174.967 > 9 27 Lu 0.07427110035815 0.75000000000000 0.61165530876238 174.967 > 9 28 Lu 0.07806433969624 0.08333333333333 0.10892379842537 174.967 > 10 29 Lu 0.07806433969624 0.41666666666667 0.10892379842537 174.967 > 10 30 Lu 0.07806433969624 0.75000000000000 0.10892379842537 174.967 > 10 31 Lu 0.42193566030376 0.25000000000000 0.60892379842537 174.967 > 11 32 Lu 0.42193566030376 0.58333333333333 0.60892379842537 174.967 > 11 33 Lu 0.42193566030376 0.91666666666667 0.60892379842537 174.967 > 11 34 Lu 0.42572889964185 0.25000000000000 0.11165530876238 174.967 > 12 35 Lu 0.42572889964185 0.58333333333333 0.11165530876238 174.967 > 12 36 Lu 0.42572889964185 0.91666666666667 0.11165530876238 174.967 > 12 *37 O 0.51754560365043 0.25000000000000 0.28328847819960 15.999 > 13 38 O 0.51754560365043 0.58333333333333 0.28328847819960 15.999 > 13 39 O 0.51754560365043 0.91666666666667 0.28328847819960 15.999 > 13 *40 O 0.57426659821681 0.08333333333333 0.07632599556337 15.999 > 14 41 O 0.57426659821681 0.41666666666667 0.07632599556337 15.999 > 14 42 O 0.57426659821681 0.75000000000000 0.07632599556337 15.999 > 14 *43 O 0.62195753969718 0.25000000000000 0.51981931159010 15.999 > 15 44 O 0.62195753969718 0.58333333333333 0.51981931159010 15.999 > 15 45 O 0.62195753969718 0.91666666666667 0.51981931159010 15.999 > 15 *46 O 0.71004108664575 0.25000000000000 0.83115168063443 15.999 > 16 47 O 0.71004108664575 0.58333333333333 0.83115168063443 15.999 > 16 48 O 0.71004108664575 0.91666666666667 0.83115168063443 15.999 > 16 49 O 0.78995891335425 0.08333333333333 0.33115168063443 15.999 > 17 50 O 0.78995891335425 0.41666666666667 0.33115168063443 15.999 > 17 51 O 0.78995891335425 0.75000000000000 0.33115168063443 15.999 > 17 52 O 0.87804246030282 0.08333333333333 0.01981931159010 15.999 > 18 53 O 0.87804246030282 0.41666666666667 0.01981931159010 15.999 > 18 54 O 0.87804246030282 0.75000000000000 0.01981931159010 15.999 > 18 55 O 0.92573340178319 0.25000000000000 0.57632599556336 15.999 > 19 56 O 0.92573340178319 0.58333333333333 0.57632599556336 15.999 > 19 57 O 0.92573340178319 0.91666666666667 0.57632599556336 15.999 > 19 58 O 0.98245439634957 0.08333333333333 0.78328847819960 15.999 > 20 59 O 0.98245439634957 0.41666666666667 0.78328847819960 15.999 > 20 60 O 0.98245439634957 0.75000000000000 0.78328847819960 15.999 > 20 61 O 0.01754560365043 0.25000000000000 0.21671152180040 15.999 > 21 62 O 0.01754560365043 0.58333333333333 0.21671152180040 15.999 > 21 63 O 0.01754560365043 0.91666666666667 0.21671152180040 15.999 > 21 64 O 0.07426659821681 0.08333333333333 0.42367400443663 15.999 > 22 65 O 0.07426659821681 0.41666666666667 0.42367400443663 15.999 > 22 66 O 0.07426659821681 0.75000000000000 0.42367400443663 15.999 > 22 67 O 0.12195753969718 0.25000000000000 0.98018068840990 15.999 > 23 68 O 0.12195753969718 0.58333333333333 0.98018068840990 15.999 > 23 69 O 0.12195753969718 0.91666666666667 0.98018068840990 15.999 > 23 70 O 0.21004108664575 0.25000000000000 0.66884831936557 15.999 > 24 71 O 0.21004108664575 0.58333333333333 0.66884831936557 15.999 > 24 72 O 0.21004108664575 0.91666666666667 0.66884831936557 15.999 > 24 73 O 0.28995891335425 0.08333333333333 0.16884831936557 15.999 > 25 74 O 0.28995891335425 0.41666666666667 0.16884831936557 15.999 > 25 75 O 0.28995891335425 0.75000000000000 0.16884831936557 15.999 > 25 76 O 0.37804246030282 0.08333333333333 0.48018068840990 15.999 > 26 77 O 0.37804246030282 0.41666666666667 0.48018068840990 15.999 > 26 78 O 0.37804246030282 0.75000000000000 0.48018068840990 15.999 > 26 79 O 0.42573340178319 0.25000000000000 0.92367400443664 15.999 > 27 80 O 0.42573340178319 0.58333333333333 0.92367400443664 15.999 > 27 81 O 0.42573340178319 0.91666666666667 0.92367400443664 15.999 > 27 82 O 0.48245439634957 0.08333333333333 0.71671152180040 15.999 > 28 83 O 0.48245439634957 0.41666666666667 0.71671152180040 15.999 > 28 84 O 0.48245439634957 0.75000000000000 0.71671152180040 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0326228 0.0000000 0.0000000 0.0000000 4.2334702 0.0000000 0.0000000 0.0000000 4.1141581 -------------------------- Born effective charges -------------------------- 1 Sr 2.7228425 0.0000000 0.0522196 0.0000000 2.4051546 0.0000000 0.0886484 0.0000000 2.5230941 2 Sr 2.7228425 0.0000000 -0.0522196 0.0000000 2.4051546 0.0000000 -0.0886484 0.0000000 2.5230941 3 Sr 2.7228425 0.0000000 -0.0522196 0.0000000 2.4051546 0.0000000 -0.0886484 0.0000000 2.5230941 4 Sr 2.7228425 0.0000000 0.0522196 0.0000000 2.4051546 0.0000000 0.0886484 0.0000000 2.5230941 5 Lu 3.3660936 0.0000000 -0.1611924 0.0000000 3.9009025 0.0000000 -0.0802211 0.0000000 3.8560479 6 Lu 3.4041995 0.0000000 -0.2248600 0.0000000 4.0552427 0.0000000 -0.1455934 0.0000000 3.4610872 7 Lu 3.4041995 0.0000000 0.2248600 0.0000000 4.0552427 0.0000000 0.1455934 0.0000000 3.4610872 8 Lu 3.3660936 0.0000000 0.1611924 0.0000000 3.9009025 0.0000000 0.0802211 0.0000000 3.8560479 9 Lu 3.3660936 0.0000000 0.1611924 0.0000000 3.9009025 0.0000000 0.0802211 0.0000000 3.8560479 10 Lu 3.4041995 0.0000000 0.2248600 0.0000000 4.0552427 0.0000000 0.1455934 0.0000000 3.4610872 11 Lu 3.4041995 0.0000000 -0.2248600 0.0000000 4.0552427 0.0000000 -0.1455934 0.0000000 3.4610872 12 Lu 3.3660936 0.0000000 -0.1611924 0.0000000 3.9009025 0.0000000 -0.0802211 0.0000000 3.8560479 13 O -1.9893225 0.0000000 -0.3513840 0.0000000 -2.5047677 0.0000000 -0.4990692 0.0000000 -2.9501879 14 O -2.3404172 0.0000000 -0.0399127 0.0000000 -2.6455814 0.0000000 0.0809074 0.0000000 -2.4293984 15 O -2.3227846 0.0000000 -0.0312479 0.0000000 -2.6064444 0.0000000 -0.0009470 0.0000000 -2.4560232 16 O -2.8406113 0.0000000 0.0533357 0.0000000 -2.6045063 0.0000000 0.0583519 0.0000000 -2.0046196 17 O -2.8406113 0.0000000 -0.0533357 0.0000000 -2.6045063 0.0000000 -0.0583519 0.0000000 -2.0046196 18 O -2.3227846 0.0000000 0.0312479 0.0000000 -2.6064444 0.0000000 0.0009470 0.0000000 -2.4560232 19 O -2.3404172 0.0000000 0.0399127 0.0000000 -2.6455814 0.0000000 -0.0809074 0.0000000 -2.4293984 20 O -1.9893225 0.0000000 0.3513840 0.0000000 -2.5047677 0.0000000 0.4990692 0.0000000 -2.9501879 21 O -1.9893225 0.0000000 0.3513840 0.0000000 -2.5047677 0.0000000 0.4990692 0.0000000 -2.9501879 22 O -2.3404172 0.0000000 0.0399127 0.0000000 -2.6455814 0.0000000 -0.0809074 0.0000000 -2.4293984 23 O -2.3227846 0.0000000 0.0312479 0.0000000 -2.6064444 0.0000000 0.0009470 0.0000000 -2.4560232 24 O -2.8406113 0.0000000 -0.0533357 0.0000000 -2.6045063 0.0000000 -0.0583519 0.0000000 -2.0046196 25 O -2.8406113 0.0000000 0.0533357 0.0000000 -2.6045063 0.0000000 0.0583519 0.0000000 -2.0046196 26 O -2.3227846 0.0000000 -0.0312479 0.0000000 -2.6064444 0.0000000 -0.0009470 0.0000000 -2.4560232 27 O -2.3404172 0.0000000 -0.0399127 0.0000000 -2.6455814 0.0000000 0.0809074 0.0000000 -2.4293984 28 O -1.9893225 0.0000000 -0.3513840 0.0000000 -2.5047677 0.0000000 -0.4990692 0.0000000 -2.9501879 ---------------------------------------------------------------------------- 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: 252/252 Permutation basis: 10794/10794 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 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: 392 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1421), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (392, 378), data: True ----- Solver_atoms: 1 -- 84 / 84 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 1.447 Solver_block: 200 / 480 - Time: 1.444 Solver_block: 300 / 480 - Time: 1.442 Solver_block: 400 / 480 - Time: 1.444 Solver_block: 480 / 480 - Time: 1.202 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.017 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 252/252 Permutation basis: 10794/10794 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 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: 392 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1421), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (392, 378), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) 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 2026-01-09 02:50:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:50:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.851008540000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.299757050000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.602676270000000 Atomic positions (fractional): 1 Sr 0.74658742965337 0.25000000000000 0.65083315272018 87.620 2 Sr 0.75341257034663 0.75000000000000 0.15083315272018 87.620 3 Sr 0.24658742965337 0.25000000000000 0.84916684727982 87.620 4 Sr 0.25341257034663 0.75000000000000 0.34916684727982 87.620 5 Lu 0.57427110035815 0.25000000000000 0.88834469123762 174.967 6 Lu 0.57806433969624 0.25000000000000 0.39107620157463 174.967 7 Lu 0.92193566030376 0.75000000000000 0.89107620157463 174.967 8 Lu 0.92572889964185 0.75000000000000 0.38834469123762 174.967 9 Lu 0.07427110035815 0.25000000000000 0.61165530876238 174.967 10 Lu 0.07806433969624 0.25000000000000 0.10892379842537 174.967 11 Lu 0.42193566030376 0.75000000000000 0.60892379842537 174.967 12 Lu 0.42572889964185 0.75000000000000 0.11165530876238 174.967 13 O 0.51754560365043 0.75000000000000 0.28328847819960 15.999 14 O 0.57426659821681 0.25000000000000 0.07632599556337 15.999 15 O 0.62195753969718 0.75000000000000 0.51981931159010 15.999 16 O 0.71004108664575 0.75000000000000 0.83115168063443 15.999 17 O 0.78995891335425 0.25000000000000 0.33115168063443 15.999 18 O 0.87804246030282 0.25000000000000 0.01981931159010 15.999 19 O 0.92573340178319 0.75000000000000 0.57632599556336 15.999 20 O 0.98245439634957 0.25000000000000 0.78328847819960 15.999 21 O 0.01754560365043 0.75000000000000 0.21671152180040 15.999 22 O 0.07426659821681 0.25000000000000 0.42367400443663 15.999 23 O 0.12195753969718 0.75000000000000 0.98018068840990 15.999 24 O 0.21004108664575 0.75000000000000 0.66884831936557 15.999 25 O 0.28995891335425 0.25000000000000 0.16884831936557 15.999 26 O 0.37804246030282 0.25000000000000 0.48018068840990 15.999 27 O 0.42573340178319 0.75000000000000 0.92367400443664 15.999 28 O 0.48245439634957 0.25000000000000 0.71671152180040 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.851008540000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.899271150000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.602676270000000 Atomic positions (fractional): 1 Sr 0.74658742965337 0.08333333333333 0.65083315272018 87.620 > 1 2 Sr 0.74658742965337 0.41666666666667 0.65083315272018 87.620 > 1 3 Sr 0.74658742965337 0.75000000000000 0.65083315272018 87.620 > 1 4 Sr 0.75341257034663 0.25000000000000 0.15083315272018 87.620 > 4 5 Sr 0.75341257034663 0.58333333333333 0.15083315272018 87.620 > 4 6 Sr 0.75341257034663 0.91666666666667 0.15083315272018 87.620 > 4 7 Sr 0.24658742965337 0.08333333333333 0.84916684727982 87.620 > 7 8 Sr 0.24658742965337 0.41666666666667 0.84916684727982 87.620 > 7 9 Sr 0.24658742965337 0.75000000000000 0.84916684727982 87.620 > 7 10 Sr 0.25341257034663 0.25000000000000 0.34916684727982 87.620 > 10 11 Sr 0.25341257034663 0.58333333333333 0.34916684727982 87.620 > 10 12 Sr 0.25341257034663 0.91666666666667 0.34916684727982 87.620 > 10 13 Lu 0.57427110035815 0.08333333333333 0.88834469123762 174.967 > 13 14 Lu 0.57427110035815 0.41666666666667 0.88834469123762 174.967 > 13 15 Lu 0.57427110035815 0.75000000000000 0.88834469123762 174.967 > 13 16 Lu 0.57806433969624 0.08333333333333 0.39107620157463 174.967 > 16 17 Lu 0.57806433969624 0.41666666666667 0.39107620157463 174.967 > 16 18 Lu 0.57806433969624 0.75000000000000 0.39107620157463 174.967 > 16 19 Lu 0.92193566030376 0.25000000000000 0.89107620157463 174.967 > 19 20 Lu 0.92193566030376 0.58333333333333 0.89107620157463 174.967 > 19 21 Lu 0.92193566030376 0.91666666666667 0.89107620157463 174.967 > 19 22 Lu 0.92572889964185 0.25000000000000 0.38834469123762 174.967 > 22 23 Lu 0.92572889964185 0.58333333333333 0.38834469123762 174.967 > 22 24 Lu 0.92572889964185 0.91666666666667 0.38834469123762 174.967 > 22 25 Lu 0.07427110035815 0.08333333333333 0.61165530876238 174.967 > 25 26 Lu 0.07427110035815 0.41666666666667 0.61165530876238 174.967 > 25 27 Lu 0.07427110035815 0.75000000000000 0.61165530876238 174.967 > 25 28 Lu 0.07806433969624 0.08333333333333 0.10892379842537 174.967 > 28 29 Lu 0.07806433969624 0.41666666666667 0.10892379842537 174.967 > 28 30 Lu 0.07806433969624 0.75000000000000 0.10892379842537 174.967 > 28 31 Lu 0.42193566030376 0.25000000000000 0.60892379842537 174.967 > 31 32 Lu 0.42193566030376 0.58333333333333 0.60892379842537 174.967 > 31 33 Lu 0.42193566030376 0.91666666666667 0.60892379842537 174.967 > 31 34 Lu 0.42572889964185 0.25000000000000 0.11165530876238 174.967 > 34 35 Lu 0.42572889964185 0.58333333333333 0.11165530876238 174.967 > 34 36 Lu 0.42572889964185 0.91666666666667 0.11165530876238 174.967 > 34 37 O 0.51754560365043 0.25000000000000 0.28328847819960 15.999 > 37 38 O 0.51754560365043 0.58333333333333 0.28328847819960 15.999 > 37 39 O 0.51754560365043 0.91666666666667 0.28328847819960 15.999 > 37 40 O 0.57426659821681 0.08333333333333 0.07632599556337 15.999 > 40 41 O 0.57426659821681 0.41666666666667 0.07632599556337 15.999 > 40 42 O 0.57426659821681 0.75000000000000 0.07632599556337 15.999 > 40 43 O 0.62195753969718 0.25000000000000 0.51981931159010 15.999 > 43 44 O 0.62195753969718 0.58333333333333 0.51981931159010 15.999 > 43 45 O 0.62195753969718 0.91666666666667 0.51981931159010 15.999 > 43 46 O 0.71004108664575 0.25000000000000 0.83115168063443 15.999 > 46 47 O 0.71004108664575 0.58333333333333 0.83115168063443 15.999 > 46 48 O 0.71004108664575 0.91666666666667 0.83115168063443 15.999 > 46 49 O 0.78995891335425 0.08333333333333 0.33115168063443 15.999 > 49 50 O 0.78995891335425 0.41666666666667 0.33115168063443 15.999 > 49 51 O 0.78995891335425 0.75000000000000 0.33115168063443 15.999 > 49 52 O 0.87804246030282 0.08333333333333 0.01981931159010 15.999 > 52 53 O 0.87804246030282 0.41666666666667 0.01981931159010 15.999 > 52 54 O 0.87804246030282 0.75000000000000 0.01981931159010 15.999 > 52 55 O 0.92573340178319 0.25000000000000 0.57632599556336 15.999 > 55 56 O 0.92573340178319 0.58333333333333 0.57632599556336 15.999 > 55 57 O 0.92573340178319 0.91666666666667 0.57632599556336 15.999 > 55 58 O 0.98245439634957 0.08333333333333 0.78328847819960 15.999 > 58 59 O 0.98245439634957 0.41666666666667 0.78328847819960 15.999 > 58 60 O 0.98245439634957 0.75000000000000 0.78328847819960 15.999 > 58 61 O 0.01754560365043 0.25000000000000 0.21671152180040 15.999 > 61 62 O 0.01754560365043 0.58333333333333 0.21671152180040 15.999 > 61 63 O 0.01754560365043 0.91666666666667 0.21671152180040 15.999 > 61 64 O 0.07426659821681 0.08333333333333 0.42367400443663 15.999 > 64 65 O 0.07426659821681 0.41666666666667 0.42367400443663 15.999 > 64 66 O 0.07426659821681 0.75000000000000 0.42367400443663 15.999 > 64 67 O 0.12195753969718 0.25000000000000 0.98018068840990 15.999 > 67 68 O 0.12195753969718 0.58333333333333 0.98018068840990 15.999 > 67 69 O 0.12195753969718 0.91666666666667 0.98018068840990 15.999 > 67 70 O 0.21004108664575 0.25000000000000 0.66884831936557 15.999 > 70 71 O 0.21004108664575 0.58333333333333 0.66884831936557 15.999 > 70 72 O 0.21004108664575 0.91666666666667 0.66884831936557 15.999 > 70 73 O 0.28995891335425 0.08333333333333 0.16884831936557 15.999 > 73 74 O 0.28995891335425 0.41666666666667 0.16884831936557 15.999 > 73 75 O 0.28995891335425 0.75000000000000 0.16884831936557 15.999 > 73 76 O 0.37804246030282 0.08333333333333 0.48018068840990 15.999 > 76 77 O 0.37804246030282 0.41666666666667 0.48018068840990 15.999 > 76 78 O 0.37804246030282 0.75000000000000 0.48018068840990 15.999 > 76 79 O 0.42573340178319 0.25000000000000 0.92367400443664 15.999 > 79 80 O 0.42573340178319 0.58333333333333 0.92367400443664 15.999 > 79 81 O 0.42573340178319 0.91666666666667 0.92367400443664 15.999 > 79 82 O 0.48245439634957 0.08333333333333 0.71671152180040 15.999 > 82 83 O 0.48245439634957 0.41666666666667 0.71671152180040 15.999 > 82 84 O 0.48245439634957 0.75000000000000 0.71671152180040 15.999 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0326228 0.0000000 0.0000000 0.0000000 4.2334702 0.0000000 0.0000000 0.0000000 4.1141581 -------------------------- Born effective charges -------------------------- 1 Sr 2.7228425 0.0000000 0.0522196 0.0000000 2.4051546 0.0000000 0.0886484 0.0000000 2.5230941 2 Sr 2.7228425 0.0000000 -0.0522196 0.0000000 2.4051546 0.0000000 -0.0886484 0.0000000 2.5230941 3 Sr 2.7228425 0.0000000 -0.0522196 0.0000000 2.4051546 0.0000000 -0.0886484 0.0000000 2.5230941 4 Sr 2.7228425 0.0000000 0.0522196 0.0000000 2.4051546 0.0000000 0.0886484 0.0000000 2.5230941 5 Lu 3.3660936 0.0000000 -0.1611924 0.0000000 3.9009025 0.0000000 -0.0802211 0.0000000 3.8560479 6 Lu 3.4041995 0.0000000 -0.2248600 0.0000000 4.0552427 0.0000000 -0.1455934 0.0000000 3.4610872 7 Lu 3.4041995 0.0000000 0.2248600 0.0000000 4.0552427 0.0000000 0.1455934 0.0000000 3.4610872 8 Lu 3.3660936 0.0000000 0.1611924 0.0000000 3.9009025 0.0000000 0.0802211 0.0000000 3.8560479 9 Lu 3.3660936 0.0000000 0.1611924 0.0000000 3.9009025 0.0000000 0.0802211 0.0000000 3.8560479 10 Lu 3.4041995 0.0000000 0.2248600 0.0000000 4.0552427 0.0000000 0.1455934 0.0000000 3.4610872 11 Lu 3.4041995 0.0000000 -0.2248600 0.0000000 4.0552427 0.0000000 -0.1455934 0.0000000 3.4610872 12 Lu 3.3660936 0.0000000 -0.1611924 0.0000000 3.9009025 0.0000000 -0.0802211 0.0000000 3.8560479 13 O -1.9893225 0.0000000 -0.3513840 0.0000000 -2.5047677 0.0000000 -0.4990692 0.0000000 -2.9501879 14 O -2.3404172 0.0000000 -0.0399127 0.0000000 -2.6455814 0.0000000 0.0809074 0.0000000 -2.4293984 15 O -2.3227846 0.0000000 -0.0312479 0.0000000 -2.6064444 0.0000000 -0.0009470 0.0000000 -2.4560232 16 O -2.8406113 0.0000000 0.0533357 0.0000000 -2.6045063 0.0000000 0.0583519 0.0000000 -2.0046196 17 O -2.8406113 0.0000000 -0.0533357 0.0000000 -2.6045063 0.0000000 -0.0583519 0.0000000 -2.0046196 18 O -2.3227846 0.0000000 0.0312479 0.0000000 -2.6064444 0.0000000 0.0009470 0.0000000 -2.4560232 19 O -2.3404172 0.0000000 0.0399127 0.0000000 -2.6455814 0.0000000 -0.0809074 0.0000000 -2.4293984 20 O -1.9893225 0.0000000 0.3513840 0.0000000 -2.5047677 0.0000000 0.4990692 0.0000000 -2.9501879 21 O -1.9893225 0.0000000 0.3513840 0.0000000 -2.5047677 0.0000000 0.4990692 0.0000000 -2.9501879 22 O -2.3404172 0.0000000 0.0399127 0.0000000 -2.6455814 0.0000000 -0.0809074 0.0000000 -2.4293984 23 O -2.3227846 0.0000000 0.0312479 0.0000000 -2.6064444 0.0000000 0.0009470 0.0000000 -2.4560232 24 O -2.8406113 0.0000000 -0.0533357 0.0000000 -2.6045063 0.0000000 -0.0583519 0.0000000 -2.0046196 25 O -2.8406113 0.0000000 0.0533357 0.0000000 -2.6045063 0.0000000 0.0583519 0.0000000 -2.0046196 26 O -2.3227846 0.0000000 -0.0312479 0.0000000 -2.6064444 0.0000000 -0.0009470 0.0000000 -2.4560232 27 O -2.3404172 0.0000000 -0.0399127 0.0000000 -2.6455814 0.0000000 0.0809074 0.0000000 -2.4293984 28 O -1.9893225 0.0000000 -0.3513840 0.0000000 -2.5047677 0.0000000 -0.4990692 0.0000000 -2.9501879 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 16, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 40, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 46, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yzy) 0.00000000 (yzy) 0.00000000 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) 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 2026-01-09 02:50:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:50:58]------------------------- 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): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.851008540000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.299757050000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.602676270000000 Atomic positions (fractional): 1 Sr 0.74658742965337 0.25000000000000 0.65083315272018 87.620 2 Sr 0.75341257034663 0.75000000000000 0.15083315272018 87.620 3 Sr 0.24658742965337 0.25000000000000 0.84916684727982 87.620 4 Sr 0.25341257034663 0.75000000000000 0.34916684727982 87.620 5 Lu 0.57427110035815 0.25000000000000 0.88834469123762 174.967 6 Lu 0.57806433969624 0.25000000000000 0.39107620157463 174.967 7 Lu 0.92193566030376 0.75000000000000 0.89107620157463 174.967 8 Lu 0.92572889964185 0.75000000000000 0.38834469123762 174.967 9 Lu 0.07427110035815 0.25000000000000 0.61165530876238 174.967 10 Lu 0.07806433969624 0.25000000000000 0.10892379842537 174.967 11 Lu 0.42193566030376 0.75000000000000 0.60892379842537 174.967 12 Lu 0.42572889964185 0.75000000000000 0.11165530876238 174.967 13 O 0.51754560365043 0.75000000000000 0.28328847819960 15.999 14 O 0.57426659821681 0.25000000000000 0.07632599556337 15.999 15 O 0.62195753969718 0.75000000000000 0.51981931159010 15.999 16 O 0.71004108664575 0.75000000000000 0.83115168063443 15.999 17 O 0.78995891335425 0.25000000000000 0.33115168063443 15.999 18 O 0.87804246030282 0.25000000000000 0.01981931159010 15.999 19 O 0.92573340178319 0.75000000000000 0.57632599556336 15.999 20 O 0.98245439634957 0.25000000000000 0.78328847819960 15.999 21 O 0.01754560365043 0.75000000000000 0.21671152180040 15.999 22 O 0.07426659821681 0.25000000000000 0.42367400443663 15.999 23 O 0.12195753969718 0.75000000000000 0.98018068840990 15.999 24 O 0.21004108664575 0.75000000000000 0.66884831936557 15.999 25 O 0.28995891335425 0.25000000000000 0.16884831936557 15.999 26 O 0.37804246030282 0.25000000000000 0.48018068840990 15.999 27 O 0.42573340178319 0.75000000000000 0.92367400443664 15.999 28 O 0.48245439634957 0.25000000000000 0.71671152180040 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.851008540000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.899271150000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.602676270000000 Atomic positions (fractional): 1 Sr 0.74658742965337 0.08333333333333 0.65083315272018 87.620 > 1 2 Sr 0.74658742965337 0.41666666666667 0.65083315272018 87.620 > 1 3 Sr 0.74658742965337 0.75000000000000 0.65083315272018 87.620 > 1 4 Sr 0.75341257034663 0.25000000000000 0.15083315272018 87.620 > 4 5 Sr 0.75341257034663 0.58333333333333 0.15083315272018 87.620 > 4 6 Sr 0.75341257034663 0.91666666666667 0.15083315272018 87.620 > 4 7 Sr 0.24658742965337 0.08333333333333 0.84916684727982 87.620 > 7 8 Sr 0.24658742965337 0.41666666666667 0.84916684727982 87.620 > 7 9 Sr 0.24658742965337 0.75000000000000 0.84916684727982 87.620 > 7 10 Sr 0.25341257034663 0.25000000000000 0.34916684727982 87.620 > 10 11 Sr 0.25341257034663 0.58333333333333 0.34916684727982 87.620 > 10 12 Sr 0.25341257034663 0.91666666666667 0.34916684727982 87.620 > 10 13 Lu 0.57427110035815 0.08333333333333 0.88834469123762 174.967 > 13 14 Lu 0.57427110035815 0.41666666666667 0.88834469123762 174.967 > 13 15 Lu 0.57427110035815 0.75000000000000 0.88834469123762 174.967 > 13 16 Lu 0.57806433969624 0.08333333333333 0.39107620157463 174.967 > 16 17 Lu 0.57806433969624 0.41666666666667 0.39107620157463 174.967 > 16 18 Lu 0.57806433969624 0.75000000000000 0.39107620157463 174.967 > 16 19 Lu 0.92193566030376 0.25000000000000 0.89107620157463 174.967 > 19 20 Lu 0.92193566030376 0.58333333333333 0.89107620157463 174.967 > 19 21 Lu 0.92193566030376 0.91666666666667 0.89107620157463 174.967 > 19 22 Lu 0.92572889964185 0.25000000000000 0.38834469123762 174.967 > 22 23 Lu 0.92572889964185 0.58333333333333 0.38834469123762 174.967 > 22 24 Lu 0.92572889964185 0.91666666666667 0.38834469123762 174.967 > 22 25 Lu 0.07427110035815 0.08333333333333 0.61165530876238 174.967 > 25 26 Lu 0.07427110035815 0.41666666666667 0.61165530876238 174.967 > 25 27 Lu 0.07427110035815 0.75000000000000 0.61165530876238 174.967 > 25 28 Lu 0.07806433969624 0.08333333333333 0.10892379842537 174.967 > 28 29 Lu 0.07806433969624 0.41666666666667 0.10892379842537 174.967 > 28 30 Lu 0.07806433969624 0.75000000000000 0.10892379842537 174.967 > 28 31 Lu 0.42193566030376 0.25000000000000 0.60892379842537 174.967 > 31 32 Lu 0.42193566030376 0.58333333333333 0.60892379842537 174.967 > 31 33 Lu 0.42193566030376 0.91666666666667 0.60892379842537 174.967 > 31 34 Lu 0.42572889964185 0.25000000000000 0.11165530876238 174.967 > 34 35 Lu 0.42572889964185 0.58333333333333 0.11165530876238 174.967 > 34 36 Lu 0.42572889964185 0.91666666666667 0.11165530876238 174.967 > 34 37 O 0.51754560365043 0.25000000000000 0.28328847819960 15.999 > 37 38 O 0.51754560365043 0.58333333333333 0.28328847819960 15.999 > 37 39 O 0.51754560365043 0.91666666666667 0.28328847819960 15.999 > 37 40 O 0.57426659821681 0.08333333333333 0.07632599556337 15.999 > 40 41 O 0.57426659821681 0.41666666666667 0.07632599556337 15.999 > 40 42 O 0.57426659821681 0.75000000000000 0.07632599556337 15.999 > 40 43 O 0.62195753969718 0.25000000000000 0.51981931159010 15.999 > 43 44 O 0.62195753969718 0.58333333333333 0.51981931159010 15.999 > 43 45 O 0.62195753969718 0.91666666666667 0.51981931159010 15.999 > 43 46 O 0.71004108664575 0.25000000000000 0.83115168063443 15.999 > 46 47 O 0.71004108664575 0.58333333333333 0.83115168063443 15.999 > 46 48 O 0.71004108664575 0.91666666666667 0.83115168063443 15.999 > 46 49 O 0.78995891335425 0.08333333333333 0.33115168063443 15.999 > 49 50 O 0.78995891335425 0.41666666666667 0.33115168063443 15.999 > 49 51 O 0.78995891335425 0.75000000000000 0.33115168063443 15.999 > 49 52 O 0.87804246030282 0.08333333333333 0.01981931159010 15.999 > 52 53 O 0.87804246030282 0.41666666666667 0.01981931159010 15.999 > 52 54 O 0.87804246030282 0.75000000000000 0.01981931159010 15.999 > 52 55 O 0.92573340178319 0.25000000000000 0.57632599556336 15.999 > 55 56 O 0.92573340178319 0.58333333333333 0.57632599556336 15.999 > 55 57 O 0.92573340178319 0.91666666666667 0.57632599556336 15.999 > 55 58 O 0.98245439634957 0.08333333333333 0.78328847819960 15.999 > 58 59 O 0.98245439634957 0.41666666666667 0.78328847819960 15.999 > 58 60 O 0.98245439634957 0.75000000000000 0.78328847819960 15.999 > 58 61 O 0.01754560365043 0.25000000000000 0.21671152180040 15.999 > 61 62 O 0.01754560365043 0.58333333333333 0.21671152180040 15.999 > 61 63 O 0.01754560365043 0.91666666666667 0.21671152180040 15.999 > 61 64 O 0.07426659821681 0.08333333333333 0.42367400443663 15.999 > 64 65 O 0.07426659821681 0.41666666666667 0.42367400443663 15.999 > 64 66 O 0.07426659821681 0.75000000000000 0.42367400443663 15.999 > 64 67 O 0.12195753969718 0.25000000000000 0.98018068840990 15.999 > 67 68 O 0.12195753969718 0.58333333333333 0.98018068840990 15.999 > 67 69 O 0.12195753969718 0.91666666666667 0.98018068840990 15.999 > 67 70 O 0.21004108664575 0.25000000000000 0.66884831936557 15.999 > 70 71 O 0.21004108664575 0.58333333333333 0.66884831936557 15.999 > 70 72 O 0.21004108664575 0.91666666666667 0.66884831936557 15.999 > 70 73 O 0.28995891335425 0.08333333333333 0.16884831936557 15.999 > 73 74 O 0.28995891335425 0.41666666666667 0.16884831936557 15.999 > 73 75 O 0.28995891335425 0.75000000000000 0.16884831936557 15.999 > 73 76 O 0.37804246030282 0.08333333333333 0.48018068840990 15.999 > 76 77 O 0.37804246030282 0.41666666666667 0.48018068840990 15.999 > 76 78 O 0.37804246030282 0.75000000000000 0.48018068840990 15.999 > 76 79 O 0.42573340178319 0.25000000000000 0.92367400443664 15.999 > 79 80 O 0.42573340178319 0.58333333333333 0.92367400443664 15.999 > 79 81 O 0.42573340178319 0.91666666666667 0.92367400443664 15.999 > 79 82 O 0.48245439634957 0.08333333333333 0.71671152180040 15.999 > 82 83 O 0.48245439634957 0.41666666666667 0.71671152180040 15.999 > 82 84 O 0.48245439634957 0.75000000000000 0.71671152180040 15.999 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0326228 0.0000000 0.0000000 0.0000000 4.2334702 0.0000000 0.0000000 0.0000000 4.1141581 -------------------------- Born effective charges -------------------------- 1 Sr 2.7228425 0.0000000 0.0522196 0.0000000 2.4051546 0.0000000 0.0886484 0.0000000 2.5230941 2 Sr 2.7228425 0.0000000 -0.0522196 0.0000000 2.4051546 0.0000000 -0.0886484 0.0000000 2.5230941 3 Sr 2.7228425 0.0000000 -0.0522196 0.0000000 2.4051546 0.0000000 -0.0886484 0.0000000 2.5230941 4 Sr 2.7228425 0.0000000 0.0522196 0.0000000 2.4051546 0.0000000 0.0886484 0.0000000 2.5230941 5 Lu 3.3660936 0.0000000 -0.1611924 0.0000000 3.9009025 0.0000000 -0.0802211 0.0000000 3.8560479 6 Lu 3.4041995 0.0000000 -0.2248600 0.0000000 4.0552427 0.0000000 -0.1455934 0.0000000 3.4610872 7 Lu 3.4041995 0.0000000 0.2248600 0.0000000 4.0552427 0.0000000 0.1455934 0.0000000 3.4610872 8 Lu 3.3660936 0.0000000 0.1611924 0.0000000 3.9009025 0.0000000 0.0802211 0.0000000 3.8560479 9 Lu 3.3660936 0.0000000 0.1611924 0.0000000 3.9009025 0.0000000 0.0802211 0.0000000 3.8560479 10 Lu 3.4041995 0.0000000 0.2248600 0.0000000 4.0552427 0.0000000 0.1455934 0.0000000 3.4610872 11 Lu 3.4041995 0.0000000 -0.2248600 0.0000000 4.0552427 0.0000000 -0.1455934 0.0000000 3.4610872 12 Lu 3.3660936 0.0000000 -0.1611924 0.0000000 3.9009025 0.0000000 -0.0802211 0.0000000 3.8560479 13 O -1.9893225 0.0000000 -0.3513840 0.0000000 -2.5047677 0.0000000 -0.4990692 0.0000000 -2.9501879 14 O -2.3404172 0.0000000 -0.0399127 0.0000000 -2.6455814 0.0000000 0.0809074 0.0000000 -2.4293984 15 O -2.3227846 0.0000000 -0.0312479 0.0000000 -2.6064444 0.0000000 -0.0009470 0.0000000 -2.4560232 16 O -2.8406113 0.0000000 0.0533357 0.0000000 -2.6045063 0.0000000 0.0583519 0.0000000 -2.0046196 17 O -2.8406113 0.0000000 -0.0533357 0.0000000 -2.6045063 0.0000000 -0.0583519 0.0000000 -2.0046196 18 O -2.3227846 0.0000000 0.0312479 0.0000000 -2.6064444 0.0000000 0.0009470 0.0000000 -2.4560232 19 O -2.3404172 0.0000000 0.0399127 0.0000000 -2.6455814 0.0000000 -0.0809074 0.0000000 -2.4293984 20 O -1.9893225 0.0000000 0.3513840 0.0000000 -2.5047677 0.0000000 0.4990692 0.0000000 -2.9501879 21 O -1.9893225 0.0000000 0.3513840 0.0000000 -2.5047677 0.0000000 0.4990692 0.0000000 -2.9501879 22 O -2.3404172 0.0000000 0.0399127 0.0000000 -2.6455814 0.0000000 -0.0809074 0.0000000 -2.4293984 23 O -2.3227846 0.0000000 0.0312479 0.0000000 -2.6064444 0.0000000 0.0009470 0.0000000 -2.4560232 24 O -2.8406113 0.0000000 -0.0533357 0.0000000 -2.6045063 0.0000000 -0.0583519 0.0000000 -2.0046196 25 O -2.8406113 0.0000000 0.0533357 0.0000000 -2.6045063 0.0000000 0.0583519 0.0000000 -2.0046196 26 O -2.3227846 0.0000000 -0.0312479 0.0000000 -2.6064444 0.0000000 -0.0009470 0.0000000 -2.4560232 27 O -2.3404172 0.0000000 -0.0399127 0.0000000 -2.6455814 0.0000000 0.0809074 0.0000000 -2.4293984 28 O -1.9893225 0.0000000 -0.3513840 0.0000000 -2.5047677 0.0000000 -0.4990692 0.0000000 -2.9501879 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yzy) 0.00000000 (yzy) 0.00000000 (yyz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 ... [ 5 15 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: 0.57, Number of G-points: 293, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.770 ( 0.000 0.000 0.000) 0.000 2.031 ( 0.000 0.000 0.000) 0.000 2.132 ( 0.000 0.000 0.000) 0.000 2.150 ( 0.000 0.000 0.000) 0.000 2.278 ( 0.000 0.000 0.000) 0.000 2.329 ( 0.000 0.000 0.000) 0.000 2.378 ( 0.000 0.000 0.000) 0.000 2.583 ( 0.000 0.000 0.000) 0.000 2.584 ( 0.000 0.000 0.000) 0.000 2.641 ( 0.000 0.000 0.000) 0.000 2.875 ( 0.000 0.000 0.000) 0.000 2.901 ( 0.000 0.000 0.000) 0.000 2.920 ( 0.000 0.000 0.000) 0.000 2.942 ( 0.000 0.000 0.000) 0.000 3.088 ( 0.000 0.000 0.000) 0.000 3.094 ( 0.000 0.000 0.000) 0.000 3.280 ( 0.000 0.000 0.000) 0.000 3.382 ( 0.000 0.000 0.000) 0.000 3.386 ( 0.000 0.000 0.000) 0.000 3.829 ( 0.000 0.000 0.000) 0.000 3.858 ( 0.000 0.000 0.000) 0.000 4.073 ( 0.000 0.000 0.000) 0.000 4.430 ( 0.000 0.000 0.000) 0.000 4.625 ( 0.000 0.000 0.000) 0.000 4.918 ( 0.000 0.000 0.000) 0.000 5.058 ( 0.000 0.000 0.000) 0.000 5.148 ( 0.000 0.000 0.000) 0.000 5.241 ( 0.000 0.000 0.000) 0.000 5.664 ( 0.000 0.000 0.000) 0.000 5.698 ( 0.000 0.000 0.000) 0.000 5.775 ( 0.000 0.000 0.000) 0.000 5.977 ( 0.000 0.000 0.000) 0.000 6.048 ( 0.000 0.000 0.000) 0.000 6.566 ( 0.000 0.000 0.000) 0.000 6.786 ( 0.000 0.000 0.000) 0.000 7.191 ( 0.000 0.000 0.000) 0.000 7.483 ( 0.000 0.000 0.000) 0.000 8.200 ( 0.000 0.000 0.000) 0.000 8.404 ( 0.000 0.000 0.000) 0.000 8.553 ( 0.000 0.000 0.000) 0.000 8.561 ( 0.000 0.000 0.000) 0.000 8.845 ( 0.000 0.000 0.000) 0.000 9.065 ( 0.000 0.000 0.000) 0.000 9.085 ( 0.000 0.000 0.000) 0.000 9.119 ( 0.000 0.000 0.000) 0.000 9.143 ( 0.000 0.000 0.000) 0.000 9.233 ( 0.000 0.000 0.000) 0.000 9.502 ( 0.000 0.000 0.000) 0.000 10.246 ( 0.000 0.000 0.000) 0.000 10.269 ( 0.000 0.000 0.000) 0.000 10.415 ( 0.000 0.000 0.000) 0.000 10.605 ( 0.000 0.000 0.000) 0.000 10.844 ( 0.000 0.000 0.000) 0.000 10.902 ( 0.000 0.000 0.000) 0.000 10.909 ( 0.000 0.000 0.000) 0.000 10.949 ( 0.000 0.000 0.000) 0.000 11.660 ( 0.000 0.000 0.000) 0.000 11.710 ( 0.000 0.000 0.000) 0.000 11.781 ( 0.000 0.000 0.000) 0.000 11.795 ( 0.000 0.000 0.000) 0.000 12.036 ( 0.000 0.000 0.000) 0.000 12.494 ( 0.000 0.000 0.000) 0.000 12.792 ( 0.000 0.000 0.000) 0.000 12.801 ( 0.000 0.000 0.000) 0.000 12.831 ( 0.000 0.000 0.000) 0.000 12.831 ( 0.000 0.000 0.000) 0.000 13.044 ( 0.000 0.000 0.000) 0.000 13.571 ( 0.000 0.000 0.000) 0.000 13.601 ( 0.000 0.000 0.000) 0.000 13.622 ( 0.000 0.000 0.000) 0.000 14.499 ( 0.000 0.000 0.000) 0.000 14.533 ( 0.000 0.000 0.000) 0.000 14.854 ( 0.000 0.000 0.000) 0.000 15.084 ( 0.000 0.000 0.000) 0.000 16.532 ( 0.000 0.000 0.000) 0.000 16.735 ( 0.000 0.000 0.000) 0.000 16.979 ( 0.000 0.000 0.000) 0.000 18.057 ( 0.000 0.000 0.000) 0.000 18.175 ( 0.000 0.000 0.000) 0.000 18.396 ( 0.000 0.000 0.000) 0.000 18.566 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( 27.169 0.000 0.000) 27.169 0.569 ( 27.375 0.000 0.000) 27.375 0.962 ( 46.925 0.000 0.000) 46.925 1.758 ( -3.114 0.000 0.000) 3.114 1.975 ( -14.211 0.000 0.000) 14.211 2.047 ( -6.734 0.000 0.000) 6.734 2.217 ( 10.399 0.000 0.000) 10.399 2.249 ( -5.459 0.000 0.000) 5.459 2.297 ( 2.176 0.000 0.000) 2.176 2.442 ( 4.188 0.000 0.000) 4.188 2.604 ( 1.768 0.000 0.000) 1.768 2.616 ( 1.717 0.000 0.000) 1.717 2.656 ( 0.042 0.000 0.000) 0.042 2.815 ( -5.756 0.000 0.000) 5.756 2.903 ( 2.623 0.000 0.000) 2.623 2.927 ( -0.617 0.000 0.000) 0.617 3.038 ( 4.932 0.000 0.000) 4.932 3.061 ( -2.693 0.000 0.000) 2.693 3.074 ( -1.295 0.000 0.000) 1.295 3.261 ( -1.789 0.000 0.000) 1.789 3.387 ( -0.545 0.000 0.000) 0.545 3.467 ( 1.359 0.000 0.000) 1.359 3.618 ( -14.746 0.000 0.000) 14.746 3.792 ( 2.449 0.000 0.000) 2.449 4.205 ( 8.754 0.000 0.000) 8.754 4.451 ( -15.419 0.000 0.000) 15.419 4.542 ( 8.580 0.000 0.000) 8.580 4.897 ( -14.854 0.000 0.000) 14.854 5.082 ( -5.560 0.000 0.000) 5.560 5.186 ( -1.982 0.000 0.000) 1.982 5.494 ( 5.491 0.000 0.000) 5.491 5.692 ( -2.004 0.000 0.000) 2.004 5.708 ( 1.415 0.000 0.000) 1.415 5.733 ( 0.620 0.000 0.000) 0.620 6.043 ( 4.557 0.000 0.000) 4.557 6.081 ( 2.747 0.000 0.000) 2.747 6.544 ( 1.220 0.000 0.000) 1.220 6.932 ( 11.242 0.000 0.000) 11.242 7.164 ( -16.849 0.000 0.000) 16.849 7.607 ( -1.839 0.000 0.000) 1.839 8.220 ( 1.950 0.000 0.000) 1.950 8.503 ( -5.130 0.000 0.000) 5.130 8.563 ( 10.270 0.000 0.000) 10.270 8.583 ( 3.006 0.000 0.000) 3.006 8.843 ( 0.092 0.000 0.000) 0.092 9.002 ( -5.914 0.000 0.000) 5.914 9.019 ( -6.503 0.000 0.000) 6.503 9.107 ( -1.773 0.000 0.000) 1.773 9.396 ( 10.139 0.000 0.000) 10.139 9.576 ( 6.077 0.000 0.000) 6.077 10.222 ( -3.926 0.000 0.000) 3.926 10.361 ( -4.984 0.000 0.000) 4.984 10.434 ( 17.107 0.000 0.000) 17.107 10.620 ( 1.767 0.000 0.000) 1.767 10.864 ( 1.680 0.000 0.000) 1.680 10.889 ( -5.051 0.000 0.000) 5.051 10.915 ( 0.391 0.000 0.000) 0.391 10.937 ( 4.147 0.000 0.000) 4.147 11.718 ( 0.745 0.000 0.000) 0.745 11.775 ( -0.541 0.000 0.000) 0.541 11.776 ( 10.654 0.000 0.000) 10.654 11.859 ( 5.304 0.000 0.000) 5.304 11.986 ( -4.436 0.000 0.000) 4.436 12.484 ( -1.026 0.000 0.000) 1.026 12.614 ( -12.338 0.000 0.000) 12.338 12.792 ( 0.034 0.000 0.000) 0.034 12.800 ( -0.140 0.000 0.000) 0.140 12.831 ( 0.010 0.000 0.000) 0.010 12.831 ( 0.011 0.000 0.000) 0.011 12.913 ( -13.608 0.000 0.000) 13.608 13.556 ( -1.119 0.000 0.000) 1.119 13.577 ( -1.262 0.000 0.000) 1.262 14.414 ( 1.404 0.000 0.000) 1.404 14.513 ( -1.718 0.000 0.000) 1.718 14.886 ( 2.844 0.000 0.000) 2.844 15.069 ( -1.533 0.000 0.000) 1.533 16.528 ( 4.348 0.000 0.000) 4.348 16.741 ( 0.143 0.000 0.000) 0.143 16.996 ( 1.465 0.000 0.000) 1.465 17.052 ( -0.138 0.000 0.000) 0.138 18.109 ( 0.755 0.000 0.000) 0.755 18.170 ( -0.461 0.000 0.000) 0.461 18.404 ( 0.604 0.000 0.000) 0.604 18.525 ( -3.526 0.000 0.000) 3.526 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 25.412 0.000 0.000) 25.412 1.098 ( 24.286 0.000 0.000) 24.286 1.535 ( -17.987 0.000 0.000) 17.987 1.584 ( -22.127 0.000 0.000) 22.127 1.889 ( 43.212 0.000 0.000) 43.212 2.021 ( 3.643 0.000 0.000) 3.643 2.129 ( -6.086 0.000 0.000) 6.086 2.362 ( 3.393 0.000 0.000) 3.393 2.400 ( 3.135 0.000 0.000) 3.135 2.536 ( 4.850 0.000 0.000) 4.850 2.616 ( -2.134 0.000 0.000) 2.134 2.646 ( 2.265 0.000 0.000) 2.265 2.674 ( -29.188 0.000 0.000) 29.188 2.707 ( -4.321 0.000 0.000) 4.321 2.728 ( 8.597 0.000 0.000) 8.597 2.924 ( -9.028 0.000 0.000) 9.028 2.970 ( 3.575 0.000 0.000) 3.575 3.035 ( -2.633 0.000 0.000) 2.633 3.132 ( 4.270 0.000 0.000) 4.270 3.209 ( -3.269 0.000 0.000) 3.269 3.264 ( -1.959 0.000 0.000) 1.959 3.345 ( -8.070 0.000 0.000) 8.070 3.676 ( 15.545 0.000 0.000) 15.545 4.054 ( -10.866 0.000 0.000) 10.866 4.079 ( 10.801 0.000 0.000) 10.801 4.421 ( 11.332 0.000 0.000) 11.332 4.503 ( -20.185 0.000 0.000) 20.185 4.631 ( -6.428 0.000 0.000) 6.428 5.026 ( 3.690 0.000 0.000) 3.690 5.139 ( -4.159 0.000 0.000) 4.159 5.541 ( 0.929 0.000 0.000) 0.929 5.595 ( -4.545 0.000 0.000) 4.545 5.765 ( 2.848 0.000 0.000) 2.848 5.782 ( 1.343 0.000 0.000) 1.343 6.118 ( 2.355 0.000 0.000) 2.355 6.129 ( 1.271 0.000 0.000) 1.271 6.644 ( 7.987 0.000 0.000) 7.987 6.856 ( -12.895 0.000 0.000) 12.895 7.189 ( 13.521 0.000 0.000) 13.521 7.453 ( -11.617 0.000 0.000) 11.617 8.281 ( 4.113 0.000 0.000) 4.113 8.384 ( -5.874 0.000 0.000) 5.874 8.677 ( 6.242 0.000 0.000) 6.242 8.782 ( 4.948 0.000 0.000) 4.948 8.859 ( 1.595 0.000 0.000) 1.595 8.871 ( -1.363 0.000 0.000) 1.363 8.913 ( -3.871 0.000 0.000) 3.871 9.021 ( -7.036 0.000 0.000) 7.036 9.591 ( 8.078 0.000 0.000) 8.078 9.672 ( 1.201 0.000 0.000) 1.201 10.163 ( -0.211 0.000 0.000) 0.211 10.237 ( -6.267 0.000 0.000) 6.267 10.679 ( 3.927 0.000 0.000) 3.927 10.769 ( -2.994 0.000 0.000) 2.994 10.834 ( 14.908 0.000 0.000) 14.908 10.898 ( 1.445 0.000 0.000) 1.445 10.917 ( -0.342 0.000 0.000) 0.342 11.002 ( -0.034 0.000 0.000) 0.034 11.738 ( 1.107 0.000 0.000) 1.107 11.759 ( -0.980 0.000 0.000) 0.980 11.904 ( -1.601 0.000 0.000) 1.601 11.930 ( -0.540 0.000 0.000) 0.540 12.061 ( 16.455 0.000 0.000) 16.455 12.358 ( -11.284 0.000 0.000) 11.284 12.452 ( -1.422 0.000 0.000) 1.422 12.565 ( -16.076 0.000 0.000) 16.076 12.794 ( 0.103 0.000 0.000) 0.103 12.797 ( -0.167 0.000 0.000) 0.167 12.832 ( 0.006 0.000 0.000) 0.006 12.832 ( 0.006 0.000 0.000) 0.006 13.544 ( 0.199 0.000 0.000) 0.199 13.559 ( -0.879 0.000 0.000) 0.879 14.442 ( 1.406 0.000 0.000) 1.406 14.475 ( -1.814 0.000 0.000) 1.814 14.955 ( 3.608 0.000 0.000) 3.608 15.023 ( -2.904 0.000 0.000) 2.904 16.633 ( 5.354 0.000 0.000) 5.354 16.719 ( -2.672 0.000 0.000) 2.672 17.028 ( 1.375 0.000 0.000) 1.375 17.046 ( -0.484 0.000 0.000) 0.484 18.130 ( 1.209 0.000 0.000) 1.209 18.155 ( -1.075 0.000 0.000) 1.075 18.418 ( 0.951 0.000 0.000) 0.951 18.454 ( -2.804 0.000 0.000) 2.804 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( 0.000 27.837 0.000) 27.837 0.616 ( 0.000 30.014 0.000) 30.014 1.154 ( 0.000 56.320 0.000) 56.320 2.008 ( 0.000 21.460 0.000) 21.460 2.064 ( 0.000 3.406 0.000) 3.406 2.180 ( 0.000 4.799 0.000) 4.799 2.303 ( 0.000 2.586 0.000) 2.586 2.340 ( 0.000 17.156 0.000) 17.156 2.449 ( 0.000 5.103 0.000) 5.103 2.529 ( 0.000 18.469 0.000) 18.469 2.691 ( 0.000 10.191 0.000) 10.191 2.736 ( 0.000 11.952 0.000) 11.952 2.780 ( 0.000 14.318 0.000) 14.318 2.856 ( 0.000 0.352 0.000) 0.352 2.901 ( 0.000 0.323 0.000) 0.323 3.067 ( 0.000 14.885 0.000) 14.885 3.085 ( 0.000 15.331 0.000) 15.331 3.239 ( 0.000 13.875 0.000) 13.875 3.315 ( 0.000 17.087 0.000) 17.087 3.381 ( 0.000 -0.414 0.000) 0.414 3.389 ( 0.000 1.031 0.000) 1.031 3.470 ( 0.000 17.924 0.000) 17.924 3.847 ( 0.000 -0.985 0.000) 0.985 3.873 ( 0.000 5.220 0.000) 5.220 4.123 ( 0.000 5.277 0.000) 5.277 4.468 ( 0.000 3.795 0.000) 3.795 4.624 ( 0.000 -0.032 0.000) 0.032 4.905 ( 0.000 -1.225 0.000) 1.225 5.036 ( 0.000 -2.017 0.000) 2.017 5.118 ( 0.000 -2.884 0.000) 2.884 5.220 ( 0.000 -2.013 0.000) 2.013 5.625 ( 0.000 -3.649 0.000) 3.649 5.679 ( 0.000 -1.889 0.000) 1.889 5.738 ( 0.000 -3.413 0.000) 3.413 5.960 ( 0.000 -1.704 0.000) 1.704 6.040 ( 0.000 -0.731 0.000) 0.731 6.563 ( 0.000 -0.156 0.000) 0.156 6.743 ( 0.000 -3.728 0.000) 3.728 7.168 ( 0.000 -1.865 0.000) 1.865 7.412 ( 0.000 -6.433 0.000) 6.433 8.392 ( 0.000 -1.132 0.000) 1.132 8.573 ( 0.000 1.988 0.000) 1.988 8.790 ( 0.000 18.429 0.000) 18.429 8.865 ( 0.000 2.886 0.000) 2.886 9.006 ( 0.000 -5.218 0.000) 5.218 9.033 ( 0.000 -2.134 0.000) 2.134 9.081 ( 0.000 -3.057 0.000) 3.057 9.263 ( 0.000 10.569 0.000) 10.569 9.467 ( 0.000 19.058 0.000) 19.058 9.687 ( 0.000 16.892 0.000) 16.892 10.165 ( 0.000 -6.040 0.000) 6.040 10.361 ( 0.000 7.813 0.000) 7.813 10.539 ( 0.000 10.451 0.000) 10.451 10.612 ( 0.000 0.939 0.000) 0.939 10.836 ( 0.000 -0.025 0.000) 0.025 10.907 ( 0.000 0.907 0.000) 0.907 10.943 ( 0.000 2.848 0.000) 2.848 10.998 ( 0.000 5.170 0.000) 5.170 11.476 ( 0.000 -10.829 0.000) 10.829 11.740 ( 0.000 -2.824 0.000) 2.824 11.753 ( 0.000 -2.703 0.000) 2.703 11.793 ( 0.000 0.051 0.000) 0.051 12.181 ( 0.000 12.170 0.000) 12.170 12.442 ( 0.000 -3.147 0.000) 3.147 12.562 ( 0.000 -0.920 0.000) 0.920 12.676 ( 0.000 -9.529 0.000) 9.529 12.792 ( 0.000 -3.606 0.000) 3.606 12.846 ( 0.000 4.246 0.000) 4.246 13.045 ( 0.000 0.129 0.000) 0.129 13.598 ( 0.000 2.434 0.000) 2.434 13.622 ( 0.000 2.013 0.000) 2.013 13.651 ( 0.000 2.244 0.000) 2.244 14.445 ( 0.000 -5.563 0.000) 5.563 14.569 ( 0.000 2.674 0.000) 2.674 14.800 ( 0.000 -5.319 0.000) 5.319 15.001 ( 0.000 -7.980 0.000) 7.980 16.541 ( 0.000 0.327 0.000) 0.327 16.709 ( 0.000 -2.476 0.000) 2.476 16.920 ( 0.000 -5.617 0.000) 5.617 16.928 ( 0.000 -1.872 0.000) 1.872 17.990 ( 0.000 -6.500 0.000) 6.500 18.093 ( 0.000 -7.922 0.000) 7.922 18.313 ( 0.000 -8.158 0.000) 8.158 18.459 ( 0.000 -10.268 0.000) 10.268 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 17.523 21.508 0.000) 27.743 0.828 ( 21.749 18.553 0.000) 28.588 1.470 ( 26.998 42.669 0.000) 50.493 1.989 ( -4.350 20.415 0.000) 20.873 2.006 ( -11.750 4.271 0.000) 12.502 2.232 ( -6.202 16.349 0.000) 17.485 2.248 ( 10.649 3.709 0.000) 11.276 2.332 ( 2.960 3.579 0.000) 4.645 2.435 ( -2.632 13.749 0.000) 13.999 2.531 ( 1.948 8.992 0.000) 9.201 2.698 ( 0.363 9.083 0.000) 9.090 2.778 ( 0.953 14.292 0.000) 14.324 2.795 ( 1.228 14.964 0.000) 15.014 2.829 ( -1.567 -0.241 0.000) 1.586 2.932 ( -0.365 1.478 0.000) 1.522 3.011 ( -1.481 13.758 0.000) 13.837 3.149 ( 3.432 13.205 0.000) 13.644 3.228 ( -1.075 14.306 0.000) 14.347 3.310 ( 0.182 17.403 0.000) 17.404 3.412 ( 1.790 3.019 0.000) 3.509 3.446 ( -1.119 14.672 0.000) 14.714 3.475 ( 2.075 3.480 0.000) 4.052 3.667 ( -16.009 6.250 0.000) 17.185 3.789 ( 2.034 0.150 0.000) 2.039 4.235 ( 8.118 3.441 0.000) 8.817 4.428 ( -15.101 -1.391 0.000) 15.165 4.568 ( 7.481 2.623 0.000) 7.928 4.875 ( -14.496 -2.144 0.000) 14.653 5.068 ( -4.691 -1.374 0.000) 4.888 5.070 ( 5.123 -6.626 0.000) 8.376 5.352 ( 11.549 -5.797 0.000) 12.923 5.640 ( -0.642 -4.772 0.000) 4.815 5.664 ( -1.225 -2.698 0.000) 2.963 5.704 ( -1.464 -2.574 0.000) 2.961 6.012 ( 4.004 -2.963 0.000) 4.982 6.068 ( 2.276 -1.236 0.000) 2.590 6.539 ( 1.080 -0.265 0.000) 1.112 6.887 ( 10.761 -3.753 0.000) 11.396 7.053 ( -10.878 -4.663 0.000) 11.835 7.427 ( 0.169 -6.494 0.000) 6.497 8.505 ( 9.354 -3.423 0.000) 9.961 8.591 ( 1.737 2.231 0.000) 2.827 8.762 ( -2.304 17.882 0.000) 18.030 8.810 ( -11.024 10.340 0.000) 15.115 8.858 ( -0.312 2.840 0.000) 2.857 9.015 ( -5.196 5.988 0.000) 7.928 9.100 ( 0.507 0.443 0.000) 0.673 9.158 ( -6.651 13.050 0.000) 14.647 9.555 ( 8.318 15.406 0.000) 17.508 9.721 ( 3.365 13.688 0.000) 14.095 10.281 ( 1.534 1.347 0.000) 2.041 10.395 ( 12.173 1.249 0.000) 12.237 10.437 ( -7.543 7.551 0.000) 10.673 10.645 ( 2.530 2.887 0.000) 3.838 10.853 ( 0.223 -0.532 0.000) 0.577 10.918 ( 1.810 0.963 0.000) 2.050 10.935 ( -3.406 4.238 0.000) 5.437 10.982 ( 2.698 3.418 0.000) 4.355 11.574 ( 6.426 -7.860 0.000) 10.153 11.682 ( -4.236 -4.282 0.000) 6.023 11.795 ( 6.682 -3.276 0.000) 7.442 11.872 ( 6.308 -0.682 0.000) 6.345 12.078 ( -7.651 8.140 0.000) 11.171 12.470 ( 0.896 -0.335 0.000) 0.956 12.544 ( -3.212 -4.363 0.000) 5.418 12.688 ( -0.765 -7.588 0.000) 7.626 12.792 ( -0.570 -2.887 0.000) 2.943 12.816 ( -2.128 1.427 0.000) 2.562 12.879 ( -13.541 1.371 0.000) 13.611 13.174 ( -24.892 12.626 0.000) 27.911 13.608 ( 1.002 4.608 0.000) 4.716 13.655 ( 0.017 6.301 0.000) 6.301 14.418 ( -0.133 -2.163 0.000) 2.168 14.529 ( -3.163 0.640 0.000) 3.227 14.842 ( 3.460 -4.240 0.000) 5.472 14.999 ( -0.539 -6.970 0.000) 6.991 16.549 ( 2.614 1.093 0.000) 2.834 16.718 ( 0.407 -2.219 0.000) 2.256 16.939 ( 1.742 -5.372 0.000) 5.647 16.996 ( 2.317 -4.322 0.000) 4.904 18.016 ( 1.592 -7.928 0.000) 8.086 18.089 ( -0.457 -7.904 0.000) 7.917 18.320 ( 0.602 -8.131 0.000) 8.153 18.423 ( -3.077 -9.804 0.000) 10.275 ======================= Grid point 7 (6/72) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 21.436 12.613 0.000) 24.872 1.305 ( 23.390 15.577 0.000) 28.102 1.659 ( -19.872 7.504 0.000) 21.242 1.738 ( -18.440 16.759 0.000) 24.918 2.110 ( 32.739 22.082 0.000) 39.490 2.227 ( 4.105 18.569 0.000) 19.017 2.333 ( -5.305 18.378 0.000) 19.129 2.415 ( 4.301 5.166 0.000) 6.722 2.449 ( 3.107 5.141 0.000) 6.007 2.655 ( 8.920 9.126 0.000) 12.761 2.668 ( -15.553 4.868 0.000) 16.297 2.723 ( 4.434 4.026 0.000) 5.989 2.770 ( -7.148 9.072 0.000) 11.550 2.827 ( 2.417 13.895 0.000) 14.104 2.835 ( -3.582 10.851 0.000) 11.427 2.972 ( -7.113 8.533 0.000) 11.109 3.197 ( -1.845 15.095 0.000) 15.208 3.198 ( -3.672 19.163 0.000) 19.511 3.265 ( 0.315 6.589 0.000) 6.597 3.343 ( 1.720 13.813 0.000) 13.920 3.374 ( -7.607 4.995 0.000) 9.101 3.398 ( -2.966 16.209 0.000) 16.478 3.684 ( 14.762 1.296 0.000) 14.819 4.042 ( -7.767 -0.825 0.000) 7.811 4.071 ( 8.258 -0.728 0.000) 8.290 4.443 ( 10.923 2.433 0.000) 11.191 4.486 ( -20.027 -1.611 0.000) 20.092 4.644 ( -6.131 1.489 0.000) 6.309 5.017 ( 2.843 -0.626 0.000) 2.912 5.097 ( -1.987 -3.126 0.000) 3.704 5.510 ( 3.051 -2.998 0.000) 4.278 5.568 ( -3.973 -2.619 0.000) 4.759 5.669 ( 2.466 -7.060 0.000) 7.478 5.708 ( -0.342 -6.328 0.000) 6.337 6.086 ( 2.651 -3.096 0.000) 4.076 6.105 ( 0.775 -2.267 0.000) 2.396 6.630 ( 7.269 -0.778 0.000) 7.311 6.817 ( -10.942 -2.350 0.000) 11.191 7.125 ( 12.075 -4.756 0.000) 12.978 7.344 ( -8.406 -6.366 0.000) 10.545 8.631 ( 1.414 9.241 0.000) 9.349 8.661 ( -2.708 15.966 0.000) 16.194 8.697 ( 6.587 -4.895 0.000) 8.207 8.734 ( 0.484 9.097 0.000) 9.110 8.853 ( -0.399 2.894 0.000) 2.922 8.890 ( -5.495 8.687 0.000) 10.279 9.061 ( -2.380 12.399 0.000) 12.625 9.073 ( -2.540 7.413 0.000) 7.836 9.730 ( 7.233 12.228 0.000) 14.207 9.791 ( 1.652 10.827 0.000) 10.952 10.239 ( -1.304 6.867 0.000) 6.989 10.290 ( -5.976 5.740 0.000) 8.286 10.704 ( 3.237 2.166 0.000) 3.895 10.760 ( 13.292 -2.110 0.000) 13.458 10.789 ( -0.803 -1.254 0.000) 1.489 10.938 ( -1.523 1.065 0.000) 1.859 10.956 ( 3.575 4.465 0.000) 5.720 11.021 ( -0.220 2.669 0.000) 2.678 11.631 ( -0.507 -7.280 0.000) 7.297 11.643 ( 0.288 -5.995 0.000) 6.002 11.906 ( -0.396 -1.673 0.000) 1.720 11.955 ( -0.912 -0.615 0.000) 1.100 12.098 ( 14.873 3.290 0.000) 15.232 12.357 ( -10.480 -0.770 0.000) 10.508 12.455 ( -1.062 0.329 0.000) 1.111 12.604 ( -15.776 3.219 0.000) 16.101 12.679 ( 0.792 -8.133 0.000) 8.171 12.733 ( -3.577 -4.040 0.000) 5.396 12.815 ( 0.930 -1.157 0.000) 1.485 12.856 ( -4.905 2.454 0.000) 5.485 13.637 ( 1.663 7.787 0.000) 7.963 13.659 ( -0.219 7.991 0.000) 7.994 14.430 ( 1.134 -2.247 0.000) 2.516 14.467 ( -2.592 -1.574 0.000) 3.033 14.916 ( 3.429 -4.081 0.000) 5.330 14.973 ( -2.098 -5.223 0.000) 5.629 16.631 ( 4.523 -0.406 0.000) 4.541 16.703 ( -2.166 -1.501 0.000) 2.635 16.980 ( 1.893 -4.651 0.000) 5.022 17.007 ( -0.664 -3.853 0.000) 3.910 18.046 ( 1.417 -7.970 0.000) 8.095 18.073 ( -1.125 -7.904 0.000) 7.984 18.333 ( 0.771 -8.255 0.000) 8.291 18.362 ( -2.337 -8.867 0.000) 9.170 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 0.000 26.558 0.000) 26.558 1.202 ( 0.000 27.696 0.000) 27.696 2.122 ( 0.000 13.929 0.000) 13.929 2.304 ( 0.000 45.304 0.000) 45.304 2.323 ( 0.000 9.041 0.000) 9.041 2.378 ( 0.000 4.539 0.000) 4.539 2.506 ( 0.000 23.120 0.000) 23.120 2.547 ( 0.000 4.929 0.000) 4.929 2.742 ( 0.000 20.136 0.000) 20.136 2.809 ( 0.000 1.106 0.000) 1.106 2.944 ( 0.000 5.837 0.000) 5.837 2.960 ( 0.000 14.568 0.000) 14.568 3.001 ( 0.000 26.246 0.000) 26.246 3.102 ( 0.000 15.259 0.000) 15.259 3.176 ( 0.000 23.267 0.000) 23.267 3.369 ( 0.000 -0.507 0.000) 0.507 3.386 ( 0.000 6.953 0.000) 6.953 3.486 ( 0.000 25.483 0.000) 25.483 3.542 ( 0.000 20.875 0.000) 20.875 3.596 ( 0.000 18.121 0.000) 18.121 3.679 ( 0.000 17.664 0.000) 17.664 3.838 ( 0.000 2.168 0.000) 2.168 3.947 ( 0.000 27.562 0.000) 27.562 4.110 ( 0.000 19.654 0.000) 19.654 4.308 ( 0.000 13.651 0.000) 13.651 4.586 ( 0.000 7.971 0.000) 7.971 4.629 ( 0.000 0.730 0.000) 0.730 4.869 ( 0.000 -2.325 0.000) 2.325 4.987 ( 0.000 -2.456 0.000) 2.456 5.037 ( 0.000 -4.981 0.000) 4.981 5.165 ( 0.000 -3.182 0.000) 3.182 5.533 ( 0.000 -5.113 0.000) 5.113 5.622 ( 0.000 -3.705 0.000) 3.705 5.650 ( 0.000 -4.826 0.000) 4.826 5.907 ( 0.000 -3.581 0.000) 3.581 6.016 ( 0.000 -1.735 0.000) 1.735 6.569 ( 0.000 1.018 0.000) 1.018 6.666 ( 0.000 -3.152 0.000) 3.152 7.137 ( 0.000 -0.834 0.000) 0.834 7.253 ( 0.000 -8.595 0.000) 8.595 8.360 ( 0.000 -1.965 0.000) 1.965 8.622 ( 0.000 2.298 0.000) 2.298 8.767 ( 0.000 -8.734 0.000) 8.734 8.870 ( 0.000 -7.801 0.000) 7.801 9.022 ( 0.000 -2.141 0.000) 2.141 9.024 ( 0.000 1.249 0.000) 1.249 9.312 ( 0.000 25.309 0.000) 25.309 9.514 ( 0.000 12.729 0.000) 12.729 9.908 ( 0.000 22.334 0.000) 22.334 10.092 ( 0.000 19.580 0.000) 19.580 10.102 ( 0.000 1.173 0.000) 1.173 10.518 ( 0.000 7.459 0.000) 7.459 10.654 ( 0.000 3.398 0.000) 3.398 10.681 ( 0.000 -0.141 0.000) 0.141 10.859 ( 0.000 2.347 0.000) 2.347 10.973 ( 0.000 5.138 0.000) 5.138 10.993 ( 0.000 1.410 0.000) 1.410 11.176 ( 0.000 12.721 0.000) 12.721 11.295 ( 0.000 -7.369 0.000) 7.369 11.661 ( 0.000 -0.743 0.000) 0.743 11.726 ( 0.000 3.450 0.000) 3.450 11.814 ( 0.000 2.397 0.000) 2.397 12.415 ( 0.000 0.565 0.000) 0.565 12.419 ( 0.000 8.642 0.000) 8.642 12.518 ( 0.000 -3.644 0.000) 3.644 12.557 ( 0.000 0.106 0.000) 0.106 12.716 ( 0.000 -2.258 0.000) 2.258 12.927 ( 0.000 3.147 0.000) 3.147 13.049 ( 0.000 0.189 0.000) 0.189 13.647 ( 0.000 1.343 0.000) 1.343 13.678 ( 0.000 3.201 0.000) 3.201 13.691 ( 0.000 1.487 0.000) 1.487 14.270 ( 0.000 -11.581 0.000) 11.581 14.592 ( 0.000 -1.453 0.000) 1.453 14.652 ( 0.000 -8.644 0.000) 8.644 14.785 ( 0.000 -12.586 0.000) 12.586 16.519 ( 0.000 -2.975 0.000) 2.975 16.644 ( 0.000 -3.673 0.000) 3.673 16.770 ( 0.000 -8.611 0.000) 8.611 16.871 ( 0.000 -3.649 0.000) 3.649 17.804 ( 0.000 -11.562 0.000) 11.562 17.867 ( 0.000 -13.977 0.000) 13.977 18.079 ( 0.000 -14.516 0.000) 14.516 18.176 ( 0.000 -16.988 0.000) 16.988 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 12.840 21.935 0.000) 25.417 1.303 ( 9.476 24.540 0.000) 26.306 2.134 ( -7.529 9.061 0.000) 11.781 2.361 ( 8.534 8.653 0.000) 12.154 2.392 ( -2.526 10.567 0.000) 10.865 2.430 ( 13.692 46.410 0.000) 48.387 2.468 ( -6.510 12.610 0.000) 14.191 2.569 ( 3.142 4.208 0.000) 5.252 2.599 ( -0.307 17.767 0.000) 17.770 2.893 ( 1.967 7.875 0.000) 8.117 2.935 ( -4.204 20.891 0.000) 21.310 2.951 ( -2.437 17.830 0.000) 17.996 2.973 ( -0.138 6.035 0.000) 6.037 3.121 ( 2.111 14.767 0.000) 14.917 3.196 ( 1.035 22.731 0.000) 22.754 3.400 ( 1.838 8.555 0.000) 8.750 3.404 ( -4.587 23.197 0.000) 23.646 3.477 ( 5.469 1.441 0.000) 5.656 3.586 ( 0.395 15.657 0.000) 15.662 3.603 ( 2.053 19.423 0.000) 19.531 3.692 ( 2.365 21.925 0.000) 22.052 3.809 ( 1.119 3.788 0.000) 3.950 3.929 ( -2.194 27.115 0.000) 27.204 3.976 ( -10.744 24.367 0.000) 26.630 4.373 ( 2.395 10.201 0.000) 10.478 4.412 ( -11.940 0.889 0.000) 11.973 4.653 ( 4.095 5.802 0.000) 7.101 4.820 ( -12.660 -2.619 0.000) 12.928 4.999 ( 6.078 -0.851 0.000) 6.138 5.034 ( -2.084 -1.686 0.000) 2.681 5.251 ( 8.117 -4.971 0.000) 9.518 5.526 ( -1.036 -5.864 0.000) 5.955 5.594 ( -2.671 -4.276 0.000) 5.041 5.635 ( -2.063 -4.103 0.000) 4.592 5.928 ( 2.501 -5.260 0.000) 5.824 6.030 ( 1.013 -2.593 0.000) 2.784 6.549 ( 1.380 1.584 0.000) 2.101 6.807 ( 10.139 -3.639 0.000) 10.772 6.992 ( -10.053 -1.832 0.000) 10.218 7.299 ( 0.546 -6.326 0.000) 6.350 8.425 ( 5.141 -4.136 0.000) 6.599 8.636 ( 1.419 1.889 0.000) 2.363 8.714 ( -3.779 -9.211 0.000) 9.956 8.775 ( -4.542 -5.902 0.000) 7.448 9.116 ( 6.252 0.562 0.000) 6.277 9.129 ( 5.263 3.990 0.000) 6.604 9.305 ( -0.320 24.299 0.000) 24.301 9.460 ( -4.247 14.111 0.000) 14.737 9.938 ( 2.691 19.342 0.000) 19.528 10.066 ( -0.350 17.658 0.000) 17.662 10.255 ( 11.186 1.153 0.000) 11.245 10.535 ( 3.150 8.262 0.000) 8.842 10.545 ( -4.106 2.270 0.000) 4.692 10.780 ( 1.754 8.576 0.000) 8.754 10.851 ( -2.020 0.860 0.000) 2.195 10.953 ( 0.042 0.833 0.000) 0.835 11.037 ( 3.250 2.419 0.000) 4.051 11.051 ( -3.371 6.719 0.000) 7.517 11.511 ( 11.009 2.700 0.000) 11.335 11.650 ( -5.618 2.805 0.000) 6.280 11.686 ( 4.282 -3.935 0.000) 5.815 11.859 ( 3.870 0.514 0.000) 3.904 12.233 ( -9.273 5.538 0.000) 10.801 12.445 ( -4.994 -4.367 0.000) 6.634 12.499 ( 0.058 2.650 0.000) 2.651 12.601 ( 0.892 -0.248 0.000) 0.925 12.722 ( 0.873 -2.738 0.000) 2.874 12.863 ( -5.072 3.165 0.000) 5.978 12.913 ( -11.578 2.132 0.000) 11.772 13.333 ( -22.638 4.947 0.000) 23.172 13.706 ( 4.910 3.796 0.000) 6.206 13.779 ( 2.524 5.271 0.000) 5.844 14.290 ( 1.395 -10.124 0.000) 10.220 14.492 ( -6.168 -4.847 0.000) 7.845 14.725 ( 3.735 -7.151 0.000) 8.068 14.799 ( 0.927 -12.243 0.000) 12.278 16.542 ( 2.368 -2.272 0.000) 3.282 16.659 ( 1.016 -3.376 0.000) 3.525 16.794 ( 2.223 -8.420 0.000) 8.709 16.896 ( 1.295 -5.464 0.000) 5.615 17.810 ( 0.580 -12.280 0.000) 12.294 17.864 ( -0.373 -13.891 0.000) 13.896 18.088 ( 0.692 -14.358 0.000) 14.375 18.151 ( -2.040 -16.361 0.000) 16.488 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 14.586 18.234 0.000) 23.350 1.610 ( 21.198 14.531 0.000) 25.700 1.876 ( -14.881 13.300 0.000) 19.959 2.064 ( -21.032 13.606 0.000) 25.049 2.541 ( 6.110 6.933 0.000) 9.241 2.561 ( 7.049 9.864 0.000) 12.124 2.642 ( 6.621 12.286 0.000) 13.957 2.662 ( 4.162 19.283 0.000) 19.727 2.776 ( 4.648 20.962 0.000) 21.471 2.845 ( 2.725 21.056 0.000) 21.231 2.850 ( -5.283 10.292 0.000) 11.569 2.904 ( -5.827 9.176 0.000) 10.870 2.925 ( 4.485 16.690 0.000) 17.282 3.137 ( -3.465 16.792 0.000) 17.146 3.212 ( 1.242 21.666 0.000) 21.702 3.299 ( -7.227 21.925 0.000) 23.085 3.430 ( 0.602 11.412 0.000) 11.428 3.471 ( -2.716 8.981 0.000) 9.383 3.641 ( 0.911 24.516 0.000) 24.533 3.648 ( 8.368 9.936 0.000) 12.991 3.689 ( -3.207 26.716 0.000) 26.908 3.842 ( -6.607 22.345 0.000) 23.301 3.873 ( 4.007 23.342 0.000) 23.684 4.039 ( 15.798 0.591 0.000) 15.809 4.075 ( -12.246 4.293 0.000) 12.977 4.445 ( -19.374 -2.168 0.000) 19.495 4.543 ( 9.096 8.273 0.000) 12.296 4.708 ( -5.107 5.501 0.000) 7.506 5.017 ( 2.348 1.168 0.000) 2.623 5.060 ( 0.061 0.385 0.000) 0.389 5.423 ( 6.829 -5.363 0.000) 8.683 5.490 ( -1.902 -5.031 0.000) 5.379 5.534 ( -1.836 -6.194 0.000) 6.460 5.573 ( -3.680 -6.177 0.000) 7.190 5.996 ( 3.319 -5.753 0.000) 6.641 6.038 ( -0.647 -4.402 0.000) 4.450 6.634 ( 6.385 1.405 0.000) 6.537 6.792 ( -9.051 0.046 0.000) 9.052 7.029 ( 11.127 -4.545 0.000) 12.020 7.228 ( -7.430 -5.473 0.000) 9.228 8.532 ( 5.229 -8.043 0.000) 9.593 8.632 ( -4.426 -9.661 0.000) 10.626 8.678 ( 2.431 0.296 0.000) 2.449 8.721 ( -1.688 -2.920 0.000) 3.372 9.184 ( 0.773 10.776 0.000) 10.803 9.187 ( 0.640 9.609 0.000) 9.630 9.325 ( 2.263 18.376 0.000) 18.515 9.379 ( -3.249 15.707 0.000) 16.039 10.012 ( 3.988 13.795 0.000) 14.360 10.062 ( -0.703 14.653 0.000) 14.670 10.405 ( 3.182 8.675 0.000) 9.240 10.470 ( -3.680 10.973 0.000) 11.574 10.737 ( 11.147 1.966 0.000) 11.319 10.759 ( -1.645 3.107 0.000) 3.516 10.787 ( 0.787 0.544 0.000) 0.957 10.952 ( -3.049 1.210 0.000) 3.280 11.071 ( 3.132 6.831 0.000) 7.515 11.098 ( 1.580 4.121 0.000) 4.414 11.573 ( -0.747 1.979 0.000) 2.115 11.593 ( -0.384 1.723 0.000) 1.765 11.838 ( 4.693 -2.841 0.000) 5.487 11.912 ( -1.257 -1.927 0.000) 2.300 12.163 ( 5.525 1.867 0.000) 5.831 12.287 ( -7.742 -6.142 0.000) 9.882 12.466 ( 0.208 0.841 0.000) 0.866 12.604 ( -1.989 1.605 0.000) 2.556 12.688 ( -9.171 5.439 0.000) 10.662 12.711 ( -3.632 2.353 0.000) 4.328 12.804 ( 1.439 1.006 0.000) 1.756 12.923 ( -12.945 4.034 0.000) 13.559 13.802 ( 3.520 7.250 0.000) 8.059 13.825 ( 1.234 7.666 0.000) 7.764 14.317 ( 1.707 -9.164 0.000) 9.321 14.379 ( -4.535 -7.420 0.000) 8.697 14.783 ( 1.995 -9.040 0.000) 9.257 14.807 ( -0.318 -11.003 0.000) 11.008 16.607 ( 3.543 -2.214 0.000) 4.178 16.661 ( -1.275 -2.726 0.000) 3.010 16.850 ( 2.857 -7.787 0.000) 8.295 16.896 ( -1.361 -6.809 0.000) 6.944 17.827 ( 1.077 -13.239 0.000) 13.283 17.850 ( -1.016 -13.694 0.000) 13.732 18.100 ( 0.418 -14.347 0.000) 14.353 18.114 ( -1.266 -15.096 0.000) 15.149 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 0.000 23.486 0.000) 23.486 1.726 ( 0.000 24.018 0.000) 24.018 2.291 ( 0.000 8.082 0.000) 8.082 2.472 ( 0.000 4.459 0.000) 4.459 2.529 ( 0.000 10.958 0.000) 10.958 2.656 ( 0.000 5.863 0.000) 5.863 2.739 ( 0.000 2.666 0.000) 2.666 2.864 ( 0.000 4.631 0.000) 4.631 3.098 ( 0.000 8.435 0.000) 8.435 3.185 ( 0.000 18.288 0.000) 18.288 3.227 ( 0.000 11.488 0.000) 11.488 3.230 ( 0.000 27.012 0.000) 27.012 3.317 ( 0.000 6.131 0.000) 6.131 3.398 ( 0.000 16.445 0.000) 16.445 3.526 ( 0.000 23.136 0.000) 23.136 3.588 ( 0.000 15.585 0.000) 15.585 3.665 ( 0.000 23.963 0.000) 23.963 3.722 ( 0.000 -0.900 0.000) 0.900 4.004 ( 0.000 20.984 0.000) 20.984 4.044 ( 0.000 26.054 0.000) 26.054 4.061 ( 0.000 22.546 0.000) 22.546 4.151 ( 0.000 24.137 0.000) 24.137 4.494 ( 0.000 24.218 0.000) 24.218 4.599 ( 0.000 24.429 0.000) 24.429 4.659 ( 0.000 2.091 0.000) 2.091 4.681 ( 0.000 18.333 0.000) 18.333 4.789 ( 0.000 11.673 0.000) 11.673 4.840 ( 0.000 4.751 0.000) 4.751 4.943 ( 0.000 -2.058 0.000) 2.058 4.965 ( 0.000 1.404 0.000) 1.404 5.112 ( 0.000 -1.196 0.000) 1.196 5.415 ( 0.000 -7.048 0.000) 7.048 5.539 ( 0.000 -3.875 0.000) 3.875 5.585 ( 0.000 0.072 0.000) 0.072 5.824 ( 0.000 -4.034 0.000) 4.034 5.969 ( 0.000 -2.733 0.000) 2.733 6.610 ( 0.000 3.088 0.000) 3.088 6.635 ( 0.000 0.200 0.000) 0.200 7.093 ( 0.000 -6.680 0.000) 6.680 7.142 ( 0.000 1.364 0.000) 1.364 8.316 ( 0.000 -2.370 0.000) 2.370 8.535 ( 0.000 -12.671 0.000) 12.671 8.635 ( 0.000 -1.358 0.000) 1.358 8.708 ( 0.000 -7.876 0.000) 7.876 9.018 ( 0.000 1.895 0.000) 1.895 9.077 ( 0.000 3.764 0.000) 3.764 9.710 ( 0.000 12.805 0.000) 12.805 9.729 ( 0.000 7.867 0.000) 7.867 10.203 ( 0.000 7.606 0.000) 7.606 10.252 ( 0.000 7.560 0.000) 7.560 10.305 ( 0.000 2.730 0.000) 2.730 10.576 ( 0.000 -5.289 0.000) 5.289 10.732 ( 0.000 9.260 0.000) 9.260 10.745 ( 0.000 4.906 0.000) 4.906 10.932 ( 0.000 4.619 0.000) 4.619 10.995 ( 0.000 -0.263 0.000) 0.263 11.068 ( 0.000 5.962 0.000) 5.962 11.188 ( 0.000 1.273 0.000) 1.273 11.507 ( 0.000 19.318 0.000) 19.318 11.798 ( 0.000 12.156 0.000) 12.156 11.880 ( 0.000 3.228 0.000) 3.228 11.946 ( 0.000 15.122 0.000) 15.122 12.414 ( 0.000 -6.510 0.000) 6.510 12.451 ( 0.000 -3.410 0.000) 3.410 12.466 ( 0.000 4.694 0.000) 4.694 12.707 ( 0.000 14.246 0.000) 14.246 12.773 ( 0.000 6.136 0.000) 6.136 12.965 ( 0.000 0.849 0.000) 0.849 13.046 ( 0.000 -0.763 0.000) 0.763 13.593 ( 0.000 -8.027 0.000) 8.027 13.701 ( 0.000 -1.080 0.000) 1.080 13.733 ( 0.000 1.714 0.000) 1.714 14.000 ( 0.000 -13.970 0.000) 13.970 14.487 ( 0.000 -6.894 0.000) 6.894 14.487 ( 0.000 -9.040 0.000) 9.040 14.536 ( 0.000 -10.799 0.000) 10.799 16.418 ( 0.000 -6.687 0.000) 6.687 16.575 ( 0.000 -2.745 0.000) 2.745 16.599 ( 0.000 -7.738 0.000) 7.738 16.784 ( 0.000 -4.942 0.000) 4.942 17.540 ( 0.000 -14.085 0.000) 14.085 17.550 ( 0.000 -16.814 0.000) 16.814 17.748 ( 0.000 -17.637 0.000) 17.637 17.807 ( 0.000 -18.656 0.000) 18.656 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 6.516 21.115 0.000) 22.098 1.782 ( 5.299 22.329 0.000) 22.949 2.318 ( -2.158 8.942 0.000) 9.199 2.514 ( 4.656 4.032 0.000) 6.159 2.547 ( 4.515 10.272 0.000) 11.220 2.647 ( -14.553 5.500 0.000) 15.557 2.662 ( 2.802 5.458 0.000) 6.135 2.837 ( 4.335 6.137 0.000) 7.514 3.096 ( -3.458 8.820 0.000) 9.473 3.150 ( -5.843 11.024 0.000) 12.476 3.189 ( 1.047 10.840 0.000) 10.891 3.324 ( 4.874 21.433 0.000) 21.981 3.339 ( 3.879 9.262 0.000) 10.041 3.413 ( -0.999 23.523 0.000) 23.544 3.536 ( 3.345 17.321 0.000) 17.641 3.649 ( 4.644 17.946 0.000) 18.537 3.694 ( 1.752 21.007 0.000) 21.080 3.770 ( 7.079 2.255 0.000) 7.429 3.842 ( -8.752 17.179 0.000) 19.280 4.010 ( -4.308 25.737 0.000) 26.095 4.152 ( 0.575 25.615 0.000) 25.621 4.193 ( 7.204 25.154 0.000) 26.166 4.394 ( -16.170 4.078 0.000) 16.677 4.503 ( -8.398 21.234 0.000) 22.834 4.505 ( -0.295 23.079 0.000) 23.081 4.712 ( 2.704 19.649 0.000) 19.835 4.745 ( -8.986 5.334 0.000) 10.449 4.875 ( 1.488 10.241 0.000) 10.348 5.023 ( 2.050 1.676 0.000) 2.648 5.038 ( 10.150 5.505 0.000) 11.547 5.157 ( 4.888 -3.106 0.000) 5.791 5.422 ( -0.588 -4.348 0.000) 4.387 5.501 ( -3.644 -4.353 0.000) 5.677 5.564 ( -2.078 -1.427 0.000) 2.520 5.810 ( -0.008 -5.798 0.000) 5.798 5.963 ( -0.812 -3.866 0.000) 3.950 6.608 ( 2.184 4.195 0.000) 4.730 6.753 ( 8.472 -1.609 0.000) 8.623 6.969 ( -7.681 -0.686 0.000) 7.711 7.190 ( 0.271 -3.796 0.000) 3.805 8.344 ( 2.081 -3.751 0.000) 4.289 8.499 ( -2.747 -10.993 0.000) 11.331 8.647 ( 0.843 -1.248 0.000) 1.506 8.647 ( -2.752 -6.163 0.000) 6.749 9.112 ( 7.715 -0.050 0.000) 7.715 9.207 ( 9.292 4.109 0.000) 10.160 9.675 ( -4.845 6.585 0.000) 8.175 9.678 ( -2.867 12.183 0.000) 12.516 10.212 ( -2.252 5.401 0.000) 5.852 10.299 ( 6.470 6.739 0.000) 9.342 10.365 ( 6.460 5.809 0.000) 8.687 10.582 ( 2.520 2.014 0.000) 3.226 10.694 ( -0.421 6.131 0.000) 6.145 10.882 ( 7.102 -1.788 0.000) 7.324 10.904 ( -3.317 4.114 0.000) 5.285 10.953 ( -0.699 6.935 0.000) 6.970 11.129 ( 3.649 5.425 0.000) 6.538 11.190 ( 1.585 8.372 0.000) 8.521 11.668 ( 12.718 13.112 0.000) 18.266 11.757 ( -3.847 9.501 0.000) 10.251 11.759 ( -8.687 3.766 0.000) 9.468 11.958 ( 0.420 10.538 0.000) 10.546 12.294 ( -8.599 0.894 0.000) 8.646 12.338 ( -7.732 -6.756 0.000) 10.268 12.525 ( -1.511 0.475 0.000) 1.584 12.723 ( -1.101 2.505 0.000) 2.736 12.724 ( 1.049 11.959 0.000) 12.005 12.957 ( -1.145 6.303 0.000) 6.406 12.968 ( -6.763 3.540 0.000) 7.633 13.412 ( -19.691 3.331 0.000) 19.971 13.691 ( 8.130 -6.991 0.000) 10.723 13.832 ( 5.430 -2.066 0.000) 5.810 14.050 ( 2.125 -11.461 0.000) 11.657 14.362 ( -7.353 -6.984 0.000) 10.142 14.545 ( 0.714 -11.575 0.000) 11.597 14.552 ( 1.687 -9.855 0.000) 9.998 16.454 ( 3.291 -6.087 0.000) 6.920 16.583 ( 0.796 -4.915 0.000) 4.979 16.633 ( 2.734 -5.885 0.000) 6.489 16.781 ( -0.471 -5.715 0.000) 5.734 17.532 ( -0.502 -14.765 0.000) 14.773 17.549 ( -0.175 -16.684 0.000) 16.685 17.763 ( 1.118 -17.170 0.000) 17.206 17.794 ( -0.969 -18.126 0.000) 18.152 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 13.952 14.505 0.000) 20.126 1.929 ( 8.592 17.941 0.000) 19.892 2.165 ( -9.166 14.597 0.000) 17.236 2.292 ( -18.223 9.685 0.000) 20.637 2.666 ( 8.973 4.993 0.000) 10.269 2.732 ( 7.223 2.577 0.000) 7.669 2.753 ( 7.036 9.708 0.000) 11.990 2.874 ( -2.064 6.684 0.000) 6.996 2.986 ( -8.357 5.124 0.000) 9.803 2.991 ( -6.165 4.257 0.000) 7.492 3.217 ( 2.433 14.720 0.000) 14.920 3.293 ( -4.465 17.519 0.000) 18.079 3.478 ( 7.635 13.524 0.000) 15.530 3.489 ( 4.937 20.839 0.000) 21.415 3.631 ( 5.474 22.193 0.000) 22.858 3.672 ( -4.657 11.755 0.000) 12.643 3.696 ( -1.048 16.488 0.000) 16.522 3.741 ( 0.261 20.260 0.000) 20.261 3.924 ( -1.699 21.597 0.000) 21.663 4.002 ( 5.903 0.711 0.000) 5.946 4.099 ( -4.311 7.079 0.000) 8.288 4.199 ( 5.033 29.518 0.000) 29.944 4.261 ( -4.993 23.097 0.000) 23.630 4.348 ( -3.931 12.722 0.000) 13.315 4.477 ( -2.356 26.533 0.000) 26.638 4.503 ( -10.654 20.019 0.000) 22.678 4.794 ( 4.901 15.378 0.000) 16.140 4.881 ( -2.728 10.958 0.000) 11.293 5.094 ( 5.010 7.176 0.000) 8.752 5.148 ( 1.178 9.301 0.000) 9.375 5.314 ( 8.335 -4.529 0.000) 9.486 5.387 ( -1.842 -4.070 0.000) 4.467 5.415 ( -3.309 -5.287 0.000) 6.237 5.480 ( -6.073 -2.072 0.000) 6.416 5.857 ( 3.860 -7.787 0.000) 8.691 5.928 ( -2.706 -6.257 0.000) 6.817 6.690 ( 5.440 4.028 0.000) 6.769 6.817 ( -7.009 2.330 0.000) 7.386 6.946 ( 9.899 -3.565 0.000) 10.521 7.123 ( -6.700 -4.610 0.000) 8.133 8.385 ( 2.239 -6.313 0.000) 6.698 8.440 ( -2.967 -8.790 0.000) 9.277 8.641 ( 1.251 -4.481 0.000) 4.652 8.658 ( -0.034 -2.295 0.000) 2.295 9.269 ( 6.755 0.732 0.000) 6.794 9.340 ( 1.629 5.726 0.000) 5.953 9.584 ( -2.098 4.696 0.000) 5.143 9.611 ( -3.259 9.477 0.000) 10.021 10.219 ( 3.136 6.094 0.000) 6.854 10.308 ( -4.196 7.930 0.000) 8.972 10.568 ( 11.391 7.188 0.000) 13.469 10.659 ( 4.225 6.020 0.000) 7.355 10.792 ( -2.960 1.288 0.000) 3.228 10.820 ( -8.375 3.119 0.000) 8.937 10.863 ( 10.736 7.413 0.000) 13.046 11.024 ( -0.300 6.461 0.000) 6.468 11.207 ( 3.799 7.057 0.000) 8.014 11.234 ( 1.424 9.257 0.000) 9.366 11.628 ( -2.701 0.767 0.000) 2.807 11.661 ( -4.700 3.191 0.000) 5.681 11.893 ( 6.839 9.252 0.000) 11.505 11.966 ( -0.568 8.006 0.000) 8.026 12.145 ( -7.324 -7.223 0.000) 10.286 12.147 ( -5.007 -3.185 0.000) 5.934 12.506 ( 4.900 3.618 0.000) 6.091 12.690 ( -7.009 5.746 0.000) 9.063 12.769 ( 4.257 2.924 0.000) 5.165 12.850 ( -3.311 10.233 0.000) 10.755 12.926 ( -1.155 10.974 0.000) 11.034 13.024 ( -14.564 6.671 0.000) 16.019 13.862 ( 7.611 -3.824 0.000) 8.517 13.941 ( 2.284 2.802 0.000) 3.615 14.070 ( 2.381 -14.727 0.000) 14.918 14.200 ( -8.182 -8.334 0.000) 11.679 14.558 ( 0.547 -12.306 0.000) 12.319 14.565 ( -0.069 -11.638 0.000) 11.639 16.532 ( 3.804 -5.264 0.000) 6.495 16.586 ( -1.109 -5.162 0.000) 5.280 16.696 ( 3.265 -6.227 0.000) 7.031 16.755 ( -2.229 -6.508 0.000) 6.879 17.529 ( 0.252 -15.810 0.000) 15.812 17.540 ( -0.670 -16.409 0.000) 16.423 17.779 ( 0.300 -16.694 0.000) 16.697 17.781 ( -0.219 -17.086 0.000) 17.087 ======================= Grid point 20 (13/72) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 0.000 18.629 0.000) 18.629 2.167 ( 0.000 19.572 0.000) 19.572 2.462 ( 0.000 8.727 0.000) 8.727 2.550 ( 0.000 3.258 0.000) 3.258 2.752 ( 0.000 10.691 0.000) 10.691 2.754 ( 0.000 -0.128 0.000) 0.128 2.779 ( 0.000 6.298 0.000) 6.298 2.997 ( 0.000 8.360 0.000) 8.360 3.166 ( 0.000 0.698 0.000) 0.698 3.297 ( 0.000 -1.273 0.000) 1.273 3.392 ( 0.000 2.261 0.000) 2.261 3.436 ( 0.000 9.751 0.000) 9.751 3.478 ( 0.000 9.606 0.000) 9.606 3.643 ( 0.000 -2.638 0.000) 2.638 3.831 ( 0.000 8.396 0.000) 8.396 3.924 ( 0.000 13.962 0.000) 13.962 4.095 ( 0.000 17.036 0.000) 17.036 4.143 ( 0.000 31.306 0.000) 31.306 4.290 ( 0.000 6.451 0.000) 6.451 4.415 ( 0.000 13.263 0.000) 13.263 4.543 ( 0.000 13.425 0.000) 13.425 4.664 ( 0.000 2.360 0.000) 2.360 4.714 ( 0.000 26.969 0.000) 26.969 4.718 ( 0.000 -1.645 0.000) 1.645 4.836 ( 0.000 10.785 0.000) 10.785 4.891 ( 0.000 13.208 0.000) 13.208 5.039 ( 0.000 13.283 0.000) 13.283 5.076 ( 0.000 7.186 0.000) 7.186 5.150 ( 0.000 4.159 0.000) 4.159 5.210 ( 0.000 21.279 0.000) 21.279 5.264 ( 0.000 -5.198 0.000) 5.198 5.317 ( 0.000 28.253 0.000) 28.253 5.523 ( 0.000 4.934 0.000) 4.934 5.710 ( 0.000 12.593 0.000) 12.593 5.795 ( 0.000 3.400 0.000) 3.400 5.931 ( 0.000 0.224 0.000) 0.224 6.667 ( 0.000 2.669 0.000) 2.669 6.690 ( 0.000 4.608 0.000) 4.608 6.999 ( 0.000 -2.458 0.000) 2.458 7.185 ( 0.000 2.589 0.000) 2.589 8.267 ( 0.000 -2.387 0.000) 2.387 8.308 ( 0.000 -8.938 0.000) 8.938 8.563 ( 0.000 -6.313 0.000) 6.313 8.585 ( 0.000 -2.872 0.000) 2.872 9.084 ( 0.000 4.160 0.000) 4.160 9.167 ( 0.000 5.110 0.000) 5.110 9.823 ( 0.000 1.730 0.000) 1.730 9.860 ( 0.000 3.549 0.000) 3.549 10.196 ( 0.000 -6.232 0.000) 6.232 10.345 ( 0.000 5.462 0.000) 5.462 10.361 ( 0.000 4.536 0.000) 4.536 10.563 ( 0.000 -0.383 0.000) 0.383 10.719 ( 0.000 -5.793 0.000) 5.793 10.771 ( 0.000 -3.342 0.000) 3.342 11.022 ( 0.000 3.690 0.000) 3.690 11.069 ( 0.000 8.656 0.000) 8.656 11.260 ( 0.000 12.614 0.000) 12.614 11.409 ( 0.000 14.338 0.000) 14.338 11.886 ( 0.000 -4.233 0.000) 4.233 11.909 ( 0.000 19.121 0.000) 19.121 12.039 ( 0.000 9.850 0.000) 9.850 12.215 ( 0.000 10.258 0.000) 10.258 12.279 ( 0.000 -6.033 0.000) 6.033 12.386 ( 0.000 -1.882 0.000) 1.882 12.612 ( 0.000 9.491 0.000) 9.491 12.868 ( 0.000 1.531 0.000) 1.531 12.983 ( 0.000 1.818 0.000) 1.818 13.007 ( 0.000 -3.353 0.000) 3.353 13.048 ( 0.000 14.771 0.000) 14.771 13.325 ( 0.000 -16.450 0.000) 16.450 13.600 ( 0.000 -7.450 0.000) 7.450 13.736 ( 0.000 -1.023 0.000) 1.023 13.809 ( 0.000 -3.141 0.000) 3.141 14.234 ( 0.000 -15.609 0.000) 15.609 14.370 ( 0.000 -5.673 0.000) 5.673 14.385 ( 0.000 -4.165 0.000) 4.165 16.274 ( 0.000 -6.837 0.000) 6.837 16.477 ( 0.000 -4.145 0.000) 4.145 16.545 ( 0.000 -0.106 0.000) 0.106 16.677 ( 0.000 -5.514 0.000) 5.514 17.213 ( 0.000 -15.928 0.000) 15.928 17.256 ( 0.000 -13.498 0.000) 13.498 17.394 ( 0.000 -16.739 0.000) 16.739 17.453 ( 0.000 -15.736 0.000) 15.736 ======================= Grid point 21 (14/72) ======================= q-point: ( 0.20 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 2.920 17.670 0.000) 17.910 2.194 ( 2.594 18.402 0.000) 18.584 2.490 ( 1.101 8.038 0.000) 8.113 2.572 ( 2.377 2.082 0.000) 3.160 2.720 ( -6.803 1.814 0.000) 7.041 2.730 ( -1.932 6.669 0.000) 6.943 2.814 ( 5.376 9.905 0.000) 11.270 2.974 ( 3.517 8.431 0.000) 9.135 3.227 ( -2.933 4.965 0.000) 5.767 3.273 ( -1.516 0.685 0.000) 1.663 3.318 ( -10.005 7.064 0.000) 12.248 3.379 ( 6.307 -1.426 0.000) 6.466 3.546 ( 4.563 8.092 0.000) 9.290 3.659 ( -0.405 0.727 0.000) 0.832 3.862 ( 4.597 6.718 0.000) 8.140 4.011 ( 5.438 12.847 0.000) 13.951 4.072 ( -3.457 13.502 0.000) 13.937 4.078 ( -11.517 7.718 0.000) 13.863 4.167 ( 2.566 29.982 0.000) 30.091 4.462 ( -9.995 5.753 0.000) 11.532 4.468 ( -6.485 11.015 0.000) 12.782 4.601 ( 9.560 12.064 0.000) 15.393 4.682 ( -10.535 14.369 0.000) 17.818 4.721 ( 2.165 29.216 0.000) 29.296 4.880 ( 4.813 1.057 0.000) 4.928 4.952 ( 5.606 14.064 0.000) 15.140 5.033 ( -1.359 11.085 0.000) 11.168 5.125 ( 1.553 12.187 0.000) 12.285 5.154 ( 1.633 2.626 0.000) 3.092 5.210 ( 0.096 18.990 0.000) 18.990 5.332 ( 5.606 -4.534 0.000) 7.210 5.376 ( 4.859 23.884 0.000) 24.373 5.492 ( -2.932 6.775 0.000) 7.382 5.670 ( -2.736 12.844 0.000) 13.132 5.756 ( -3.578 3.560 0.000) 5.047 5.902 ( -2.855 -0.526 0.000) 2.903 6.710 ( 3.266 5.461 0.000) 6.363 6.745 ( 5.609 0.812 0.000) 5.667 6.960 ( -3.432 -0.090 0.000) 3.433 7.159 ( -2.971 0.433 0.000) 3.002 8.275 ( 0.415 -3.079 0.000) 3.107 8.302 ( -0.505 -7.861 0.000) 7.877 8.538 ( -0.879 -4.553 0.000) 4.637 8.598 ( 0.833 -2.972 0.000) 3.086 9.136 ( 5.016 2.594 0.000) 5.647 9.295 ( 10.297 4.467 0.000) 11.225 9.737 ( -7.624 0.677 0.000) 7.654 9.844 ( -2.248 5.351 0.000) 5.805 10.207 ( 1.751 -2.683 0.000) 3.204 10.390 ( 3.795 3.012 0.000) 4.845 10.452 ( 7.675 3.156 0.000) 8.298 10.594 ( 3.583 -1.362 0.000) 3.834 10.712 ( 1.538 -2.434 0.000) 2.879 10.855 ( 5.562 -2.377 0.000) 6.049 11.002 ( -1.720 4.798 0.000) 5.097 11.117 ( 4.261 8.660 0.000) 9.651 11.294 ( 3.174 11.760 0.000) 12.181 11.419 ( 0.605 11.856 0.000) 11.871 11.762 ( -9.574 -3.411 0.000) 10.163 11.930 ( -9.018 6.773 0.000) 11.278 11.999 ( 6.751 16.321 0.000) 17.662 12.117 ( -9.613 -3.317 0.000) 10.170 12.262 ( -1.464 6.128 0.000) 6.300 12.285 ( -8.840 -0.994 0.000) 8.896 12.575 ( -2.823 4.279 0.000) 5.127 12.807 ( -0.502 6.271 0.000) 6.291 12.916 ( -4.243 2.513 0.000) 4.931 13.097 ( 5.648 6.297 0.000) 8.458 13.120 ( 0.869 10.989 0.000) 11.023 13.426 ( 9.105 -16.852 0.000) 19.154 13.485 ( -15.662 4.714 0.000) 16.356 13.652 ( 5.063 -10.962 0.000) 12.075 13.892 ( 1.287 -6.272 0.000) 6.403 14.173 ( -5.508 -13.520 0.000) 14.599 14.373 ( 0.091 -6.793 0.000) 6.794 14.380 ( -0.385 -4.489 0.000) 4.506 16.320 ( 4.109 -6.386 0.000) 7.594 16.467 ( -0.274 -4.818 0.000) 4.826 16.579 ( 2.274 -0.782 0.000) 2.405 16.668 ( -0.872 -5.541 0.000) 5.609 17.215 ( 0.053 -15.765 0.000) 15.765 17.234 ( -1.554 -14.191 0.000) 14.275 17.423 ( 2.069 -15.882 0.000) 16.017 17.450 ( -0.153 -15.356 0.000) 15.357 ======================= Grid point 22 (15/72) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 7.359 13.304 0.000) 15.203 2.260 ( 2.718 14.509 0.000) 14.761 2.439 ( -4.535 12.007 0.000) 12.835 2.469 ( -9.697 7.916 0.000) 12.518 2.733 ( 7.760 1.929 0.000) 7.996 2.786 ( 4.937 2.789 0.000) 5.670 2.928 ( 4.289 6.339 0.000) 7.654 3.022 ( -4.539 6.235 0.000) 7.712 3.081 ( -3.142 6.971 0.000) 7.647 3.103 ( -8.115 8.246 0.000) 11.570 3.372 ( 6.686 2.563 0.000) 7.160 3.470 ( -0.198 1.530 0.000) 1.543 3.647 ( 2.658 2.374 0.000) 3.563 3.671 ( 7.590 5.446 0.000) 9.342 3.822 ( -10.092 3.395 0.000) 10.648 3.895 ( -9.940 3.009 0.000) 10.386 4.052 ( 10.212 6.514 0.000) 12.113 4.156 ( 5.769 18.232 0.000) 19.123 4.228 ( 0.829 24.342 0.000) 24.356 4.286 ( -10.961 2.855 0.000) 11.327 4.345 ( 0.176 17.418 0.000) 17.419 4.464 ( -9.156 22.048 0.000) 23.874 4.779 ( 6.073 16.202 0.000) 17.303 4.792 ( 4.014 26.655 0.000) 26.956 4.930 ( 0.725 11.954 0.000) 11.976 4.980 ( -4.030 16.753 0.000) 17.231 5.028 ( 2.190 10.444 0.000) 10.671 5.083 ( -3.600 11.614 0.000) 12.159 5.238 ( 4.554 -3.764 0.000) 5.908 5.247 ( 2.584 5.488 0.000) 6.066 5.410 ( 0.920 7.261 0.000) 7.319 5.424 ( -2.630 13.495 0.000) 13.749 5.483 ( 5.441 18.060 0.000) 18.861 5.597 ( -5.441 14.816 0.000) 15.783 5.726 ( 2.729 -0.804 0.000) 2.845 5.819 ( -5.010 -1.851 0.000) 5.341 6.788 ( 4.291 5.257 0.000) 6.786 6.877 ( -4.402 3.232 0.000) 5.461 6.894 ( 8.340 -1.304 0.000) 8.442 7.056 ( -6.998 -1.657 0.000) 7.192 8.279 ( 0.270 -4.145 0.000) 4.154 8.290 ( -0.650 -5.872 0.000) 5.908 8.557 ( 2.271 -3.571 0.000) 4.232 8.598 ( -1.144 -3.219 0.000) 3.416 9.277 ( 8.504 1.270 0.000) 8.599 9.434 ( -2.800 3.918 0.000) 4.816 9.628 ( 2.737 1.266 0.000) 3.016 9.756 ( -6.213 5.643 0.000) 8.393 10.275 ( 4.743 0.305 0.000) 4.753 10.379 ( -4.527 0.453 0.000) 4.550 10.663 ( 12.118 1.610 0.000) 12.225 10.707 ( 6.821 -0.237 0.000) 6.825 10.807 ( 0.854 0.199 0.000) 0.877 10.872 ( -5.697 0.762 0.000) 5.748 11.022 ( 8.451 7.997 0.000) 11.635 11.185 ( -0.713 8.332 0.000) 8.363 11.362 ( 2.386 7.276 0.000) 7.657 11.409 ( -1.991 6.128 0.000) 6.443 11.621 ( -1.854 0.677 0.000) 1.974 11.716 ( -9.579 3.277 0.000) 10.124 11.937 ( -3.057 -10.015 0.000) 10.471 12.049 ( -9.774 -3.999 0.000) 10.561 12.152 ( 3.435 12.216 0.000) 12.689 12.217 ( -2.762 11.281 0.000) 11.614 12.610 ( 8.031 5.930 0.000) 9.983 12.812 ( -7.783 5.614 0.000) 9.596 12.854 ( 4.485 5.505 0.000) 7.101 13.004 ( -10.579 3.842 0.000) 11.255 13.181 ( 3.174 12.785 0.000) 13.173 13.254 ( -5.357 15.325 0.000) 16.234 13.632 ( 9.749 -15.544 0.000) 18.349 13.757 ( 0.699 -14.833 0.000) 14.849 13.888 ( 2.499 -8.179 0.000) 8.552 14.030 ( -8.150 -11.357 0.000) 13.978 14.371 ( -0.133 -6.591 0.000) 6.592 14.373 ( -0.266 -5.442 0.000) 5.449 16.411 ( 4.043 -5.907 0.000) 7.158 16.462 ( -0.893 -5.884 0.000) 5.952 16.615 ( 1.393 -2.459 0.000) 2.826 16.643 ( -1.407 -4.696 0.000) 4.903 17.211 ( -0.521 -14.976 0.000) 14.985 17.211 ( -0.332 -15.457 0.000) 15.461 17.453 ( 0.392 -14.757 0.000) 14.762 17.453 ( 0.690 -14.929 0.000) 14.945 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 0.000 13.497 0.000) 13.497 2.513 ( 0.000 14.177 0.000) 14.177 2.611 ( 0.000 3.380 0.000) 3.380 2.635 ( 0.000 8.155 0.000) 8.155 2.747 ( 0.000 -0.489 0.000) 0.489 2.875 ( 0.000 3.847 0.000) 3.847 2.984 ( 0.000 11.329 0.000) 11.329 3.161 ( 0.000 -0.954 0.000) 0.954 3.192 ( 0.000 10.601 0.000) 10.601 3.259 ( 0.000 -2.595 0.000) 2.595 3.428 ( 0.000 1.581 0.000) 1.581 3.574 ( 0.000 -3.588 0.000) 3.588 3.594 ( 0.000 2.544 0.000) 2.544 3.636 ( 0.000 10.065 0.000) 10.065 3.907 ( 0.000 0.476 0.000) 0.476 4.075 ( 0.000 1.037 0.000) 1.037 4.280 ( 0.000 0.914 0.000) 0.914 4.318 ( 0.000 -1.723 0.000) 1.723 4.473 ( 0.000 -4.713 0.000) 4.713 4.505 ( 0.000 -1.720 0.000) 1.720 4.657 ( 0.000 2.581 0.000) 2.581 4.730 ( 0.000 15.171 0.000) 15.171 4.733 ( 0.000 2.420 0.000) 2.420 4.995 ( 0.000 -9.461 0.000) 9.461 5.032 ( 0.000 4.303 0.000) 4.303 5.180 ( 0.000 -2.105 0.000) 2.105 5.234 ( 0.000 21.307 0.000) 21.307 5.340 ( 0.000 15.277 0.000) 15.277 5.357 ( 0.000 30.770 0.000) 30.770 5.411 ( 0.000 13.557 0.000) 13.557 5.534 ( 0.000 11.519 0.000) 11.519 5.748 ( 0.000 16.363 0.000) 16.363 5.858 ( 0.000 22.745 0.000) 22.745 6.020 ( 0.000 16.860 0.000) 16.860 6.028 ( 0.000 9.174 0.000) 9.174 6.044 ( 0.000 18.465 0.000) 18.465 6.729 ( 0.000 3.120 0.000) 3.120 6.781 ( 0.000 3.946 0.000) 3.946 6.989 ( 0.000 1.238 0.000) 1.238 7.231 ( 0.000 1.462 0.000) 1.462 8.196 ( 0.000 -1.852 0.000) 1.852 8.228 ( 0.000 -1.141 0.000) 1.141 8.455 ( 0.000 -4.362 0.000) 4.362 8.541 ( 0.000 -1.330 0.000) 1.330 9.183 ( 0.000 5.736 0.000) 5.736 9.285 ( 0.000 6.565 0.000) 6.565 9.818 ( 0.000 -1.782 0.000) 1.782 9.887 ( 0.000 -0.629 0.000) 0.629 10.141 ( 0.000 1.402 0.000) 1.402 10.421 ( 0.000 2.466 0.000) 2.466 10.492 ( 0.000 7.243 0.000) 7.243 10.508 ( 0.000 -4.236 0.000) 4.236 10.622 ( 0.000 -2.203 0.000) 2.203 10.659 ( 0.000 -6.705 0.000) 6.705 11.078 ( 0.000 2.411 0.000) 2.411 11.293 ( 0.000 12.088 0.000) 12.088 11.539 ( 0.000 14.201 0.000) 14.201 11.622 ( 0.000 5.814 0.000) 5.814 11.690 ( 0.000 -14.000 0.000) 14.000 12.174 ( 0.000 4.095 0.000) 4.095 12.180 ( 0.000 -4.211 0.000) 4.211 12.212 ( 0.000 7.826 0.000) 7.826 12.342 ( 0.000 2.169 0.000) 2.169 12.387 ( 0.000 1.670 0.000) 1.670 12.714 ( 0.000 -15.383 0.000) 15.383 12.799 ( 0.000 7.439 0.000) 7.439 12.910 ( 0.000 -6.015 0.000) 6.015 13.044 ( 0.000 -12.689 0.000) 12.689 13.085 ( 0.000 8.906 0.000) 8.906 13.115 ( 0.000 -2.100 0.000) 2.100 13.659 ( 0.000 9.769 0.000) 9.769 13.729 ( 0.000 1.096 0.000) 1.096 13.819 ( 0.000 4.358 0.000) 4.358 13.882 ( 0.000 -18.521 0.000) 18.521 14.226 ( 0.000 -8.796 0.000) 8.796 14.330 ( 0.000 -2.400 0.000) 2.400 16.169 ( 0.000 -3.062 0.000) 3.062 16.429 ( 0.000 -0.878 0.000) 0.878 16.564 ( 0.000 -5.607 0.000) 5.607 16.568 ( 0.000 2.014 0.000) 2.014 16.930 ( 0.000 -11.470 0.000) 11.470 17.014 ( 0.000 -10.028 0.000) 10.028 17.096 ( 0.000 -12.305 0.000) 12.305 17.188 ( 0.000 -10.421 0.000) 10.421 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 1.391 13.440 0.000) 13.512 2.522 ( 0.496 14.021 0.000) 14.029 2.610 ( 0.953 1.793 0.000) 2.031 2.645 ( 0.991 7.299 0.000) 7.366 2.736 ( -2.276 0.125 0.000) 2.280 2.838 ( -2.210 4.347 0.000) 4.876 3.008 ( 1.692 8.389 0.000) 8.558 3.149 ( 3.428 6.522 0.000) 7.368 3.287 ( 2.685 3.081 0.000) 4.087 3.309 ( 3.028 -4.035 0.000) 5.045 3.320 ( -5.875 4.020 0.000) 7.119 3.497 ( -6.805 9.672 0.000) 11.826 3.623 ( 1.152 -3.208 0.000) 3.409 3.641 ( 3.172 1.812 0.000) 3.653 3.946 ( 2.001 2.189 0.000) 2.965 4.055 ( -8.012 -3.224 0.000) 8.636 4.191 ( -6.513 0.265 0.000) 6.519 4.218 ( 0.799 2.406 0.000) 2.536 4.495 ( -3.165 -1.548 0.000) 3.523 4.567 ( 5.188 4.900 0.000) 7.137 4.657 ( -3.833 10.311 0.000) 11.001 4.706 ( 6.360 -1.344 0.000) 6.501 4.825 ( 4.944 4.299 0.000) 6.551 5.061 ( 0.431 7.105 0.000) 7.118 5.088 ( 4.455 1.806 0.000) 4.807 5.135 ( -2.910 7.362 0.000) 7.916 5.178 ( 0.277 -0.611 0.000) 0.670 5.327 ( -3.754 8.008 0.000) 8.844 5.356 ( 0.172 28.359 0.000) 28.360 5.435 ( 4.155 16.491 0.000) 17.006 5.539 ( -1.336 13.401 0.000) 13.468 5.750 ( -0.964 15.895 0.000) 15.924 5.845 ( -0.377 20.001 0.000) 20.005 6.002 ( -0.936 18.801 0.000) 18.824 6.030 ( 0.181 13.564 0.000) 13.565 6.031 ( -1.621 19.031 0.000) 19.100 6.773 ( 4.124 2.086 0.000) 4.622 6.818 ( 3.334 4.521 0.000) 5.617 6.975 ( -1.367 1.709 0.000) 2.189 7.183 ( -4.499 1.324 0.000) 4.690 8.201 ( 0.445 -1.840 0.000) 1.893 8.228 ( -0.087 -1.242 0.000) 1.245 8.462 ( 1.003 -3.093 0.000) 3.252 8.548 ( 0.438 -1.742 0.000) 1.796 9.221 ( 3.991 5.868 0.000) 7.096 9.390 ( 9.282 5.135 0.000) 10.608 9.750 ( -6.485 1.147 0.000) 6.586 9.909 ( 0.588 1.072 0.000) 1.223 10.173 ( 3.400 0.027 0.000) 3.400 10.434 ( -0.381 0.245 0.000) 0.453 10.513 ( 2.799 4.601 0.000) 5.386 10.540 ( 4.067 -3.575 0.000) 5.415 10.668 ( 5.808 -1.484 0.000) 5.994 10.753 ( 6.777 -7.254 0.000) 9.927 11.086 ( 1.029 3.917 0.000) 4.050 11.307 ( 0.491 8.664 0.000) 8.678 11.558 ( 0.225 10.903 0.000) 10.906 11.573 ( -5.240 2.059 0.000) 5.630 11.618 ( -2.989 -7.177 0.000) 7.775 12.002 ( -13.605 -4.509 0.000) 14.333 12.012 ( -10.985 2.681 0.000) 11.307 12.257 ( -6.236 3.958 0.000) 7.386 12.294 ( -0.164 4.970 0.000) 4.973 12.405 ( 1.982 4.631 0.000) 5.037 12.641 ( -1.582 0.536 0.000) 1.670 12.863 ( -0.989 -7.029 0.000) 7.098 12.959 ( -3.254 1.842 0.000) 3.739 13.024 ( 13.968 -4.879 0.000) 14.795 13.107 ( 1.107 -11.580 0.000) 11.633 13.304 ( 9.834 5.793 0.000) 11.414 13.584 ( -6.202 3.465 0.000) 7.104 13.658 ( -4.218 9.216 0.000) 10.135 13.801 ( -2.960 0.221 0.000) 2.968 13.844 ( -3.590 -17.648 0.000) 18.009 14.234 ( 0.746 -8.005 0.000) 8.040 14.319 ( -1.103 -2.894 0.000) 3.097 16.223 ( 4.654 -2.880 0.000) 5.473 16.406 ( -1.544 -1.356 0.000) 2.055 16.555 ( -0.609 -5.603 0.000) 5.636 16.581 ( 0.504 0.503 0.000) 0.712 16.938 ( 0.620 -10.872 0.000) 10.890 16.984 ( -1.886 -9.925 0.000) 10.102 17.141 ( 3.144 -11.664 0.000) 12.080 17.190 ( 0.346 -10.186 0.000) 10.192 ======================= Grid point 27 (18/72) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 2.792 10.945 0.000) 11.295 2.503 ( -3.041 9.152 0.000) 9.645 2.620 ( 0.057 7.522 0.000) 7.522 2.645 ( -1.453 8.531 0.000) 8.654 2.756 ( 5.827 0.570 0.000) 5.855 2.838 ( 0.839 2.168 0.000) 2.325 3.007 ( -1.137 2.525 0.000) 2.769 3.095 ( -8.048 2.324 0.000) 8.377 3.293 ( 1.998 11.559 0.000) 11.730 3.300 ( -1.068 7.162 0.000) 7.241 3.387 ( 6.364 0.096 0.000) 6.365 3.467 ( 0.877 2.143 0.000) 2.315 3.645 ( 1.709 -2.169 0.000) 2.762 3.697 ( 0.835 -1.971 0.000) 2.140 3.858 ( -6.302 1.155 0.000) 6.407 3.902 ( -6.251 -0.014 0.000) 6.251 4.148 ( 3.508 2.471 0.000) 4.291 4.239 ( -2.897 -2.367 0.000) 3.741 4.468 ( 2.907 8.572 0.000) 9.051 4.565 ( -5.180 9.541 0.000) 10.857 4.697 ( 7.324 9.304 0.000) 11.841 4.807 ( 0.396 -3.471 0.000) 3.493 4.907 ( 2.307 1.663 0.000) 2.844 4.940 ( -4.729 16.717 0.000) 17.373 5.133 ( 0.303 2.451 0.000) 2.470 5.151 ( -0.966 6.043 0.000) 6.119 5.234 ( 4.197 0.347 0.000) 4.211 5.286 ( -0.818 -3.018 0.000) 3.127 5.384 ( 2.991 22.394 0.000) 22.593 5.469 ( -4.568 16.370 0.000) 16.995 5.537 ( 6.062 13.283 0.000) 14.601 5.671 ( -6.189 11.458 0.000) 13.023 5.877 ( 3.090 20.981 0.000) 21.207 5.951 ( -3.846 20.675 0.000) 21.030 6.023 ( 0.698 20.476 0.000) 20.488 6.032 ( -0.093 18.995 0.000) 18.996 6.866 ( 4.132 1.855 0.000) 4.529 6.916 ( 6.501 3.676 0.000) 7.468 6.934 ( -2.663 2.398 0.000) 3.584 7.061 ( -7.111 1.731 0.000) 7.318 8.212 ( 0.535 -1.658 0.000) 1.742 8.222 ( -0.462 -1.356 0.000) 1.433 8.500 ( 2.442 -2.228 0.000) 3.306 8.542 ( -1.290 -2.212 0.000) 2.561 9.349 ( 8.352 5.979 0.000) 10.271 9.523 ( -5.330 5.480 0.000) 7.645 9.666 ( 6.966 2.736 0.000) 7.484 9.847 ( -7.057 3.438 0.000) 7.850 10.269 ( 5.489 -0.161 0.000) 5.491 10.377 ( -4.689 -0.003 0.000) 4.689 10.637 ( 8.681 -3.511 0.000) 9.364 10.672 ( 7.489 -3.035 0.000) 8.081 10.796 ( 2.072 -1.688 0.000) 2.673 10.817 ( -2.441 -6.238 0.000) 6.699 11.170 ( 9.431 6.016 0.000) 11.187 11.283 ( -1.016 -1.511 0.000) 1.820 11.419 ( -7.430 -4.240 0.000) 8.555 11.497 ( -10.009 8.251 0.000) 12.972 11.679 ( 9.029 -2.230 0.000) 9.300 11.778 ( -2.157 2.941 0.000) 3.648 11.839 ( -5.782 8.291 0.000) 10.108 11.969 ( -16.464 -2.485 0.000) 16.650 12.367 ( 2.607 7.507 0.000) 7.947 12.403 ( -1.295 6.285 0.000) 6.417 12.694 ( 7.493 0.872 0.000) 7.543 12.851 ( -3.380 -3.594 0.000) 4.934 12.947 ( 1.011 1.252 0.000) 1.610 13.011 ( -7.115 -3.775 0.000) 8.055 13.291 ( 11.683 -4.229 0.000) 12.425 13.481 ( -6.406 0.661 0.000) 6.441 13.490 ( 8.179 6.996 0.000) 10.762 13.593 ( -1.431 2.639 0.000) 3.002 13.715 ( -3.609 -3.353 0.000) 4.926 13.750 ( -4.980 -14.340 0.000) 15.180 14.256 ( 1.422 -6.163 0.000) 6.325 14.289 ( -1.687 -4.245 0.000) 4.568 16.321 ( 4.155 -2.724 0.000) 4.968 16.377 ( -1.626 -2.421 0.000) 2.917 16.552 ( 0.473 -4.682 0.000) 4.706 16.573 ( -1.159 -2.292 0.000) 2.568 16.947 ( 0.209 -9.854 0.000) 9.856 16.955 ( -0.861 -9.566 0.000) 9.605 17.192 ( 1.497 -10.739 0.000) 10.843 17.201 ( 0.401 -10.102 0.000) 10.110 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( 0.000 10.438 0.000) 10.438 2.644 ( 0.000 2.342 0.000) 2.342 2.734 ( 0.000 -0.789 0.000) 0.789 2.780 ( 0.000 5.895 0.000) 5.895 2.787 ( 0.000 10.559 0.000) 10.559 2.928 ( 0.000 1.523 0.000) 1.523 3.130 ( 0.000 -2.083 0.000) 2.083 3.180 ( 0.000 -5.566 0.000) 5.566 3.205 ( 0.000 10.208 0.000) 10.208 3.415 ( 0.000 11.224 0.000) 11.224 3.464 ( 0.000 2.031 0.000) 2.031 3.514 ( 0.000 -2.093 0.000) 2.093 3.605 ( 0.000 -0.996 0.000) 0.996 3.830 ( 0.000 8.494 0.000) 8.494 3.896 ( 0.000 -0.744 0.000) 0.744 4.008 ( 0.000 -6.515 0.000) 6.515 4.214 ( 0.000 -5.033 0.000) 5.033 4.270 ( 0.000 -2.406 0.000) 2.406 4.360 ( 0.000 -5.484 0.000) 5.484 4.387 ( 0.000 -7.002 0.000) 7.002 4.653 ( 0.000 -1.708 0.000) 1.708 4.747 ( 0.000 -0.584 0.000) 0.584 4.810 ( 0.000 -8.227 0.000) 8.227 4.952 ( 0.000 0.478 0.000) 0.478 5.146 ( 0.000 3.930 0.000) 3.930 5.159 ( 0.000 7.275 0.000) 7.275 5.599 ( 0.000 14.177 0.000) 14.177 5.621 ( 0.000 11.681 0.000) 11.681 5.664 ( 0.000 10.486 0.000) 10.486 5.729 ( 0.000 7.711 0.000) 7.711 5.898 ( 0.000 21.718 0.000) 21.718 6.057 ( 0.000 12.988 0.000) 12.988 6.234 ( 0.000 13.932 0.000) 13.932 6.237 ( 0.000 9.832 0.000) 9.832 6.354 ( 0.000 14.525 0.000) 14.525 6.389 ( 0.000 14.518 0.000) 14.518 6.785 ( 0.000 2.286 0.000) 2.286 6.835 ( 0.000 1.121 0.000) 1.121 7.037 ( 0.000 3.159 0.000) 3.159 7.232 ( 0.000 -1.379 0.000) 1.379 8.229 ( 0.000 4.683 0.000) 4.683 8.232 ( 0.000 1.551 0.000) 1.551 8.383 ( 0.000 -2.910 0.000) 2.910 8.522 ( 0.000 -1.108 0.000) 1.108 9.320 ( 0.000 7.947 0.000) 7.947 9.427 ( 0.000 7.195 0.000) 7.195 9.764 ( 0.000 -3.505 0.000) 3.505 9.832 ( 0.000 -5.017 0.000) 5.017 10.237 ( 0.000 6.904 0.000) 6.904 10.440 ( 0.000 -0.751 0.000) 0.751 10.460 ( 0.000 1.625 0.000) 1.625 10.523 ( 0.000 -6.412 0.000) 6.412 10.534 ( 0.000 -0.971 0.000) 0.971 10.748 ( 0.000 12.334 0.000) 12.334 11.148 ( 0.000 4.998 0.000) 4.998 11.299 ( 0.000 -17.519 0.000) 17.519 11.601 ( 0.000 11.877 0.000) 11.877 11.638 ( 0.000 -3.865 0.000) 3.865 11.809 ( 0.000 11.830 0.000) 11.830 12.028 ( 0.000 -23.216 0.000) 23.216 12.102 ( 0.000 -3.236 0.000) 3.236 12.247 ( 0.000 3.898 0.000) 3.898 12.306 ( 0.000 -5.399 0.000) 5.399 12.385 ( 0.000 -0.189 0.000) 0.189 12.650 ( 0.000 6.975 0.000) 6.975 12.760 ( 0.000 -12.955 0.000) 12.955 12.774 ( 0.000 -7.197 0.000) 7.197 12.898 ( 0.000 2.593 0.000) 2.593 13.122 ( 0.000 1.242 0.000) 1.242 13.307 ( 0.000 11.423 0.000) 11.423 13.522 ( 0.000 -15.817 0.000) 15.817 13.779 ( 0.000 3.771 0.000) 3.771 13.782 ( 0.000 3.699 0.000) 3.699 13.974 ( 0.000 7.553 0.000) 7.553 14.019 ( 0.000 -11.367 0.000) 11.367 14.260 ( 0.000 -4.695 0.000) 4.695 16.158 ( 0.000 1.818 0.000) 1.818 16.430 ( 0.000 0.874 0.000) 0.874 16.451 ( 0.000 -5.617 0.000) 5.617 16.585 ( 0.000 -1.718 0.000) 1.718 16.787 ( 0.000 -1.532 0.000) 1.532 16.860 ( 0.000 -5.203 0.000) 5.203 16.904 ( 0.000 -6.749 0.000) 6.749 17.025 ( 0.000 -6.156 0.000) 6.156 ======================= Grid point 31 (20/72) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( 0.886 10.249 0.000) 10.287 2.644 ( 0.627 1.677 0.000) 1.790 2.712 ( -2.266 0.913 0.000) 2.443 2.780 ( 0.285 5.835 0.000) 5.842 2.787 ( 0.629 8.986 0.000) 9.007 2.904 ( -1.766 2.182 0.000) 2.807 3.127 ( -4.679 1.268 0.000) 4.847 3.168 ( 1.832 -2.454 0.000) 3.062 3.230 ( 2.880 -1.274 0.000) 3.149 3.400 ( -3.809 3.941 0.000) 5.481 3.442 ( 2.405 9.375 0.000) 9.679 3.540 ( -0.617 -4.880 0.000) 4.919 3.645 ( 2.355 -0.693 0.000) 2.455 3.713 ( -2.575 11.113 0.000) 11.407 3.959 ( -4.580 -5.651 0.000) 7.275 3.978 ( 0.877 1.226 0.000) 1.508 4.167 ( -2.161 -1.503 0.000) 2.632 4.211 ( -2.535 -1.288 0.000) 2.843 4.433 ( 4.924 -5.075 0.000) 7.071 4.484 ( 7.301 -8.373 0.000) 11.110 4.646 ( 0.405 -2.249 0.000) 2.285 4.724 ( -2.299 -0.060 0.000) 2.299 4.919 ( 7.924 -9.263 0.000) 12.190 4.954 ( 0.601 -1.095 0.000) 1.249 5.171 ( 2.491 4.904 0.000) 5.500 5.184 ( 2.302 6.676 0.000) 7.062 5.446 ( -8.926 13.298 0.000) 16.016 5.531 ( -8.157 9.481 0.000) 12.507 5.730 ( 4.318 11.912 0.000) 12.670 5.777 ( 1.204 9.759 0.000) 9.833 5.842 ( -3.868 18.985 0.000) 19.375 6.033 ( -4.557 11.005 0.000) 11.911 6.200 ( 2.318 15.301 0.000) 15.475 6.326 ( 3.779 12.734 0.000) 13.283 6.359 ( 0.480 15.099 0.000) 15.106 6.384 ( -0.621 14.700 0.000) 14.713 6.817 ( 3.287 2.117 0.000) 3.910 6.881 ( 4.033 1.561 0.000) 4.324 7.025 ( -1.174 3.091 0.000) 3.306 7.193 ( -3.673 -0.601 0.000) 3.722 8.227 ( -0.172 4.068 0.000) 4.071 8.233 ( -0.003 1.667 0.000) 1.667 8.405 ( 2.009 -2.711 0.000) 3.374 8.519 ( -0.413 -1.704 0.000) 1.754 9.372 ( 5.003 8.885 0.000) 10.197 9.507 ( 7.531 6.399 0.000) 9.882 9.772 ( -0.315 0.391 0.000) 0.502 9.885 ( 4.091 -3.540 0.000) 5.411 10.226 ( 0.141 5.101 0.000) 5.103 10.420 ( -2.771 -0.220 0.000) 2.780 10.475 ( 3.952 -1.623 0.000) 4.272 10.590 ( 4.903 -8.317 0.000) 9.655 10.615 ( 5.899 -0.133 0.000) 5.901 10.676 ( -5.338 6.984 0.000) 8.791 11.185 ( 2.836 6.016 0.000) 6.651 11.217 ( -6.697 -16.272 0.000) 17.596 11.497 ( -11.365 -8.323 0.000) 14.087 11.614 ( 1.417 9.941 0.000) 10.042 11.830 ( 0.118 11.579 0.000) 11.579 11.962 ( -8.194 0.474 0.000) 8.208 12.012 ( -1.294 -7.918 0.000) 8.023 12.229 ( -6.927 -1.209 0.000) 7.031 12.349 ( 0.990 1.052 0.000) 1.444 12.422 ( 5.886 -3.154 0.000) 6.678 12.650 ( -0.486 3.203 0.000) 3.239 12.667 ( -2.244 -10.535 0.000) 10.772 12.847 ( 1.528 -12.250 0.000) 12.345 12.882 ( -0.320 -1.322 0.000) 1.360 13.154 ( 4.900 5.980 0.000) 7.731 13.450 ( 10.423 8.013 0.000) 13.148 13.508 ( -1.008 -14.237 0.000) 14.273 13.681 ( -7.681 5.170 0.000) 9.259 13.723 ( -6.186 1.580 0.000) 6.385 13.939 ( -3.457 7.533 0.000) 8.288 14.045 ( 2.388 -10.421 0.000) 10.691 14.239 ( -2.022 -5.006 0.000) 5.399 16.208 ( 4.337 1.236 0.000) 4.509 16.403 ( -2.192 0.773 0.000) 2.325 16.444 ( -0.337 -5.306 0.000) 5.317 16.564 ( -2.100 -2.850 0.000) 3.540 16.811 ( 1.774 -1.226 0.000) 2.157 16.844 ( -0.699 -4.044 0.000) 4.104 16.954 ( 3.539 -7.045 0.000) 7.884 17.031 ( 0.554 -6.010 0.000) 6.036 ======================= Grid point 32 (21/72) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( -0.790 8.194 0.000) 8.232 2.631 ( -1.451 4.215 0.000) 4.458 2.742 ( 5.328 0.913 0.000) 5.406 2.795 ( 0.505 6.609 0.000) 6.628 2.800 ( 0.602 7.033 0.000) 7.058 2.863 ( -3.591 0.145 0.000) 3.594 3.047 ( -0.750 1.130 0.000) 1.356 3.120 ( -5.486 -0.226 0.000) 5.491 3.299 ( 3.548 -2.613 0.000) 4.407 3.357 ( -1.810 -0.392 0.000) 1.852 3.518 ( 0.869 -4.703 0.000) 4.783 3.519 ( 3.791 4.530 0.000) 5.907 3.657 ( -0.167 2.263 0.000) 2.269 3.705 ( -1.787 11.947 0.000) 12.080 3.890 ( -0.783 2.018 0.000) 2.165 3.923 ( -3.754 2.093 0.000) 4.298 4.165 ( 1.040 -0.301 0.000) 1.083 4.183 ( -0.725 -2.501 0.000) 2.604 4.542 ( 5.470 -2.682 0.000) 6.092 4.610 ( 3.222 -10.613 0.000) 11.091 4.657 ( -3.422 2.022 0.000) 3.975 4.659 ( 0.102 -4.754 0.000) 4.755 4.994 ( 3.500 -3.418 0.000) 4.892 5.039 ( 1.856 -9.958 0.000) 10.130 5.226 ( 1.945 5.811 0.000) 6.128 5.253 ( 4.810 7.427 0.000) 8.848 5.283 ( -5.628 12.678 0.000) 13.872 5.373 ( -6.971 8.350 0.000) 10.878 5.772 ( -0.461 12.451 0.000) 12.460 5.781 ( -1.759 15.766 0.000) 15.864 5.812 ( 3.909 11.404 0.000) 12.056 5.913 ( -5.975 10.438 0.000) 12.027 6.273 ( 3.787 16.847 0.000) 17.267 6.338 ( -2.529 16.167 0.000) 16.363 6.380 ( 1.465 13.852 0.000) 13.929 6.387 ( 0.563 14.608 0.000) 14.618 6.904 ( 4.665 2.173 0.000) 5.146 6.980 ( 5.426 1.903 0.000) 5.750 6.984 ( -2.980 2.711 0.000) 4.029 7.095 ( -5.629 0.976 0.000) 5.713 8.226 ( 0.084 2.934 0.000) 2.935 8.230 ( -0.250 2.099 0.000) 2.113 8.454 ( 2.560 -2.636 0.000) 3.675 8.499 ( -1.637 -2.514 0.000) 3.000 9.513 ( 8.375 9.936 0.000) 12.994 9.659 ( -1.131 7.669 0.000) 7.752 9.746 ( 5.232 5.256 0.000) 7.416 9.904 ( -4.422 2.210 0.000) 4.943 10.285 ( 5.176 1.708 0.000) 5.450 10.372 ( -2.330 -1.208 0.000) 2.625 10.577 ( -1.062 -0.579 0.000) 1.209 10.596 ( 5.778 -3.654 0.000) 6.836 10.638 ( -0.081 -10.748 0.000) 10.749 10.717 ( 0.112 -6.198 0.000) 6.199 11.118 ( -1.098 -13.288 0.000) 13.334 11.175 ( -5.488 -8.576 0.000) 10.182 11.380 ( 5.121 4.927 0.000) 7.106 11.583 ( -9.984 2.490 0.000) 10.290 11.765 ( 4.178 11.627 0.000) 12.355 11.949 ( 2.851 8.571 0.000) 9.033 11.958 ( -8.716 -0.653 0.000) 8.741 12.011 ( -6.477 8.752 0.000) 10.888 12.419 ( 3.296 -2.141 0.000) 3.930 12.457 ( -0.914 -0.912 0.000) 1.291 12.651 ( 1.831 -2.184 0.000) 2.850 12.691 ( 0.876 -9.342 0.000) 9.383 12.841 ( -0.069 -11.987 0.000) 11.988 12.875 ( -1.417 -7.147 0.000) 7.286 13.310 ( 9.661 4.220 0.000) 10.542 13.500 ( 1.054 -7.219 0.000) 7.296 13.509 ( -9.134 3.414 0.000) 9.752 13.575 ( -6.641 -0.335 0.000) 6.650 13.663 ( 9.750 6.643 0.000) 11.798 13.834 ( -6.904 7.175 0.000) 9.957 14.108 ( 3.604 -8.294 0.000) 9.043 14.182 ( -3.441 -6.221 0.000) 7.110 16.299 ( 3.889 0.300 0.000) 3.900 16.358 ( -2.238 0.259 0.000) 2.252 16.454 ( 1.625 -4.710 0.000) 4.982 16.507 ( -3.171 -4.048 0.000) 5.142 16.837 ( 0.498 -1.282 0.000) 1.375 16.838 ( 0.026 -2.285 0.000) 2.285 17.017 ( 2.276 -6.797 0.000) 7.168 17.039 ( -0.039 -6.190 0.000) 6.190 ======================= Grid point 35 (22/72) ======================= q-point: ( 0.00 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( 0.000 1.714 0.000) 1.714 2.714 ( 0.000 -1.239 0.000) 1.239 2.805 ( 0.000 7.962 0.000) 7.962 2.863 ( 0.000 1.974 0.000) 1.974 2.947 ( 0.000 1.041 0.000) 1.041 2.964 ( 0.000 6.928 0.000) 6.928 3.040 ( 0.000 -7.563 0.000) 7.563 3.072 ( 0.000 -3.921 0.000) 3.921 3.381 ( 0.000 6.858 0.000) 6.858 3.475 ( 0.000 -2.618 0.000) 2.618 3.512 ( 0.000 2.708 0.000) 2.708 3.567 ( 0.000 -2.531 0.000) 2.531 3.638 ( 0.000 10.711 0.000) 10.711 3.843 ( 0.000 -9.396 0.000) 9.396 3.900 ( 0.000 1.420 0.000) 1.420 3.931 ( 0.000 0.341 0.000) 0.341 4.161 ( 0.000 1.543 0.000) 1.543 4.240 ( 0.000 -0.167 0.000) 0.167 4.252 ( 0.000 -6.102 0.000) 6.102 4.270 ( 0.000 -3.148 0.000) 3.148 4.632 ( 0.000 0.274 0.000) 0.274 4.679 ( 0.000 -4.489 0.000) 4.489 4.759 ( 0.000 2.525 0.000) 2.525 4.851 ( 0.000 -6.166 0.000) 6.166 5.260 ( 0.000 3.857 0.000) 3.857 5.270 ( 0.000 2.898 0.000) 2.898 5.793 ( 0.000 5.175 0.000) 5.175 5.795 ( 0.000 5.180 0.000) 5.180 5.810 ( 0.000 3.527 0.000) 3.527 5.828 ( 0.000 1.721 0.000) 1.721 6.207 ( 0.000 8.406 0.000) 8.406 6.240 ( 0.000 4.434 0.000) 4.434 6.388 ( 0.000 4.746 0.000) 4.746 6.409 ( 0.000 3.368 0.000) 3.368 6.574 ( 0.000 6.713 0.000) 6.713 6.595 ( 0.000 5.090 0.000) 5.090 6.815 ( 0.000 0.762 0.000) 0.762 6.831 ( 0.000 -0.985 0.000) 0.985 7.108 ( 0.000 3.733 0.000) 3.733 7.181 ( 0.000 -3.346 0.000) 3.346 8.279 ( 0.000 2.699 0.000) 2.699 8.331 ( 0.000 -2.443 0.000) 2.443 8.355 ( 0.000 6.816 0.000) 6.816 8.472 ( 0.000 -4.217 0.000) 4.217 9.500 ( 0.000 9.534 0.000) 9.534 9.564 ( 0.000 6.221 0.000) 6.221 9.677 ( 0.000 -4.996 0.000) 4.996 9.689 ( 0.000 -8.717 0.000) 8.717 10.335 ( 0.000 2.933 0.000) 2.933 10.410 ( 0.000 -4.710 0.000) 4.710 10.492 ( 0.000 1.505 0.000) 1.505 10.516 ( 0.000 -0.878 0.000) 0.878 10.573 ( 0.000 13.632 0.000) 13.632 10.913 ( 0.000 -18.940 0.000) 18.940 11.054 ( 0.000 17.681 0.000) 17.681 11.270 ( 0.000 4.966 0.000) 4.966 11.505 ( 0.000 -7.953 0.000) 7.953 11.543 ( 0.000 -20.731 0.000) 20.731 11.867 ( 0.000 13.126 0.000) 13.126 11.986 ( 0.000 4.761 0.000) 4.761 12.058 ( 0.000 -1.233 0.000) 1.233 12.137 ( 0.000 -10.562 0.000) 10.562 12.328 ( 0.000 3.599 0.000) 3.599 12.377 ( 0.000 -1.187 0.000) 1.187 12.589 ( 0.000 -2.756 0.000) 2.756 12.635 ( 0.000 -5.825 0.000) 5.825 12.796 ( 0.000 6.701 0.000) 6.701 12.900 ( 0.000 -2.735 0.000) 2.735 13.155 ( 0.000 2.340 0.000) 2.340 13.252 ( 0.000 -8.450 0.000) 8.450 13.552 ( 0.000 11.226 0.000) 11.226 13.783 ( 0.000 -11.672 0.000) 11.672 13.848 ( 0.000 2.558 0.000) 2.558 13.851 ( 0.000 2.306 0.000) 2.306 14.076 ( 0.000 3.302 0.000) 3.302 14.155 ( 0.000 -5.007 0.000) 5.007 16.229 ( 0.000 4.817 0.000) 4.817 16.337 ( 0.000 -5.608 0.000) 5.608 16.461 ( 0.000 2.132 0.000) 2.132 16.518 ( 0.000 -3.549 0.000) 3.549 16.799 ( 0.000 -1.009 0.000) 1.009 16.814 ( 0.000 -2.446 0.000) 2.446 16.831 ( 0.000 4.056 0.000) 4.056 16.920 ( 0.000 -4.600 0.000) 4.600 ======================= Grid point 36 (23/72) ======================= q-point: ( 0.20 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( 0.011 1.426 0.000) 1.426 2.701 ( -0.705 -1.035 0.000) 1.252 2.813 ( -0.196 7.295 0.000) 7.297 2.867 ( 0.527 2.163 0.000) 2.227 2.932 ( -1.454 1.523 0.000) 2.105 2.963 ( -0.106 7.567 0.000) 7.567 3.032 ( -1.014 -7.034 0.000) 7.106 3.091 ( 0.658 -5.075 0.000) 5.118 3.307 ( -3.828 5.870 0.000) 7.008 3.429 ( -3.911 -5.974 0.000) 7.140 3.479 ( -3.407 3.825 0.000) 5.122 3.541 ( -2.451 -1.252 0.000) 2.752 3.693 ( 4.707 6.807 0.000) 8.276 3.836 ( 0.803 -6.609 0.000) 6.658 3.914 ( 2.972 7.602 0.000) 8.162 3.991 ( 1.220 -0.586 0.000) 1.354 4.167 ( 0.643 2.724 0.000) 2.799 4.215 ( -1.640 2.301 0.000) 2.826 4.299 ( 4.171 -9.096 0.000) 10.007 4.307 ( 2.859 -6.323 0.000) 6.939 4.652 ( 2.149 2.783 0.000) 3.516 4.744 ( -1.283 2.917 0.000) 3.186 4.752 ( 5.406 -6.875 0.000) 8.746 4.844 ( -0.367 -6.457 0.000) 6.467 5.286 ( 2.451 3.722 0.000) 4.457 5.293 ( 2.352 2.979 0.000) 3.795 5.635 ( -8.646 5.338 0.000) 10.161 5.660 ( -8.599 2.803 0.000) 9.044 5.898 ( 3.720 4.540 0.000) 5.870 5.912 ( 2.826 3.175 0.000) 4.251 6.114 ( -5.950 7.969 0.000) 9.945 6.170 ( -6.061 2.248 0.000) 6.464 6.439 ( 4.589 7.681 0.000) 8.947 6.489 ( 4.553 2.920 0.000) 5.409 6.581 ( 0.491 6.284 0.000) 6.303 6.592 ( -0.337 5.293 0.000) 5.304 6.853 ( 3.757 1.507 0.000) 4.048 6.883 ( 4.386 -1.159 0.000) 4.536 7.093 ( -1.525 3.458 0.000) 3.780 7.158 ( -2.317 -2.710 0.000) 3.566 8.285 ( 0.526 3.143 0.000) 3.187 8.341 ( -1.150 6.478 0.000) 6.579 8.348 ( 1.547 -2.990 0.000) 3.366 8.458 ( -1.228 -4.552 0.000) 4.715 9.569 ( 6.406 10.215 0.000) 12.057 9.640 ( 7.180 6.359 0.000) 9.591 9.744 ( 5.830 -3.460 0.000) 6.779 9.763 ( 6.575 -8.366 0.000) 10.641 10.327 ( -1.160 4.132 0.000) 4.292 10.433 ( 1.195 -6.720 0.000) 6.826 10.456 ( -2.979 3.737 0.000) 4.779 10.549 ( 1.548 -4.680 0.000) 4.929 10.559 ( -0.041 10.925 0.000) 10.925 10.861 ( -3.961 -17.444 0.000) 17.888 10.899 ( -11.298 13.440 0.000) 17.558 11.179 ( -12.504 -11.949 0.000) 17.295 11.440 ( 4.595 9.218 0.000) 10.300 11.715 ( 7.400 -16.222 0.000) 17.830 11.819 ( -3.884 9.276 0.000) 10.056 11.953 ( -5.063 -2.616 0.000) 5.699 12.056 ( 4.717 10.389 0.000) 11.410 12.275 ( 8.397 -10.413 0.000) 13.377 12.300 ( -3.058 5.007 0.000) 5.867 12.364 ( -0.540 -0.720 0.000) 0.901 12.542 ( -2.918 -0.187 0.000) 2.924 12.637 ( -0.742 -8.249 0.000) 8.282 12.731 ( -5.164 4.374 0.000) 6.767 12.827 ( -5.603 -4.543 0.000) 7.214 13.234 ( 6.308 2.678 0.000) 6.853 13.304 ( 4.513 -5.632 0.000) 7.218 13.629 ( 6.861 9.367 0.000) 11.611 13.764 ( -7.803 2.175 0.000) 8.100 13.766 ( -7.347 2.034 0.000) 7.623 13.829 ( 4.272 -10.496 0.000) 11.332 14.045 ( -3.132 3.793 0.000) 4.919 14.131 ( -2.475 -5.093 0.000) 5.663 16.260 ( 2.746 3.628 0.000) 4.550 16.344 ( 0.784 -4.558 0.000) 4.625 16.433 ( -2.386 2.157 0.000) 3.217 16.490 ( -2.495 -3.551 0.000) 4.339 16.810 ( 1.210 0.330 0.000) 1.254 16.848 ( 1.215 3.553 0.000) 3.755 16.849 ( 2.830 -3.488 0.000) 4.492 16.930 ( 0.722 -4.373 0.000) 4.432 ======================= Grid point 37 (24/72) ======================= q-point: ( 0.40 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( 2.018 2.360 0.000) 3.105 2.731 ( 4.129 -1.251 0.000) 4.314 2.763 ( -4.022 5.239 0.000) 6.605 2.839 ( -5.082 -2.387 0.000) 5.614 2.921 ( 1.516 5.828 0.000) 6.022 2.952 ( -1.107 7.004 0.000) 7.091 3.024 ( 1.302 -3.698 0.000) 3.920 3.071 ( -2.368 -4.521 0.000) 5.103 3.296 ( 2.551 2.887 0.000) 3.853 3.382 ( -5.258 3.021 0.000) 6.064 3.395 ( 1.417 -6.218 0.000) 6.377 3.467 ( -4.570 -4.889 0.000) 6.692 3.807 ( 6.518 7.590 0.000) 10.004 3.907 ( 4.888 -1.766 0.000) 5.198 3.927 ( -3.902 7.180 0.000) 8.172 3.974 ( -1.383 1.854 0.000) 2.313 4.179 ( 0.464 4.294 0.000) 4.319 4.190 ( -0.761 4.770 0.000) 4.830 4.362 ( 2.104 -10.693 0.000) 10.898 4.371 ( 1.735 -12.180 0.000) 12.303 4.697 ( 1.662 5.303 0.000) 5.557 4.719 ( -0.973 4.776 0.000) 4.874 4.841 ( 2.463 -8.807 0.000) 9.145 4.850 ( 0.751 -7.821 0.000) 7.857 5.354 ( 4.225 4.208 0.000) 5.963 5.367 ( 4.922 2.875 0.000) 5.701 5.468 ( -7.190 5.268 0.000) 8.913 5.493 ( -7.419 2.699 0.000) 7.895 5.950 ( 1.922 4.916 0.000) 5.278 5.965 ( 3.160 3.476 0.000) 4.698 6.008 ( -4.095 6.659 0.000) 7.817 6.049 ( -5.253 2.549 0.000) 5.838 6.524 ( 3.362 7.480 0.000) 8.201 6.562 ( 2.437 3.742 0.000) 4.466 6.572 ( -1.487 6.494 0.000) 6.662 6.588 ( -0.303 4.875 0.000) 4.885 6.950 ( 5.146 2.197 0.000) 5.595 6.986 ( 5.406 -1.085 0.000) 5.514 7.042 ( -3.615 2.799 0.000) 4.572 7.089 ( -4.411 -1.552 0.000) 4.676 8.298 ( 0.745 4.275 0.000) 4.340 8.317 ( -1.130 5.554 0.000) 5.668 8.386 ( 2.027 -4.100 0.000) 4.574 8.426 ( -1.852 -4.768 0.000) 5.115 9.728 ( 8.100 10.590 0.000) 13.333 9.809 ( 5.047 6.193 0.000) 7.990 9.849 ( 4.276 3.030 0.000) 5.240 9.896 ( 3.932 -4.562 0.000) 6.023 10.313 ( 1.432 1.456 0.000) 2.042 10.368 ( -4.657 3.305 0.000) 5.711 10.422 ( -0.894 -9.388 0.000) 9.431 10.510 ( -6.436 -8.722 0.000) 10.840 10.605 ( 4.051 6.310 0.000) 7.499 10.705 ( -6.295 8.197 0.000) 10.335 10.826 ( 1.658 -14.055 0.000) 14.152 10.933 ( -9.291 -13.032 0.000) 16.005 11.566 ( 6.936 12.025 0.000) 13.882 11.710 ( -6.755 9.095 0.000) 11.329 11.823 ( 3.463 -11.931 0.000) 12.424 11.877 ( -2.549 -4.222 0.000) 4.932 12.145 ( 3.675 13.146 0.000) 13.650 12.218 ( -4.063 11.018 0.000) 11.743 12.375 ( 1.468 -2.982 0.000) 3.324 12.392 ( 1.330 -7.259 0.000) 7.380 12.545 ( 4.642 -3.009 0.000) 5.532 12.616 ( -0.185 -7.925 0.000) 7.927 12.633 ( -3.952 -0.091 0.000) 3.953 12.698 ( -6.814 -7.828 0.000) 10.378 13.385 ( 8.517 2.704 0.000) 8.936 13.423 ( 7.163 -1.612 0.000) 7.342 13.575 ( -9.862 2.341 0.000) 10.136 13.590 ( -9.055 0.736 0.000) 9.085 13.792 ( 8.409 6.458 0.000) 10.603 13.938 ( 5.944 -8.053 0.000) 10.009 13.947 ( -6.448 4.754 0.000) 8.011 14.053 ( -5.041 -6.028 0.000) 7.859 16.323 ( 3.023 1.864 0.000) 3.552 16.373 ( 2.157 -3.188 0.000) 3.849 16.379 ( -2.682 1.790 0.000) 3.225 16.430 ( -3.178 -3.250 0.000) 4.546 16.841 ( 1.578 2.055 0.000) 2.591 16.861 ( -0.184 2.928 0.000) 2.934 16.907 ( 2.420 -4.310 0.000) 4.943 16.936 ( -0.396 -4.317 0.000) 4.335 ======================= Grid point 75 (25/72) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 0.000 0.000 28.397) 28.397 0.642 ( 0.000 0.000 28.698) 28.698 1.130 ( 0.000 0.000 50.386) 50.386 1.634 ( 0.000 0.000 -13.797) 13.797 1.725 ( 0.000 0.000 -19.785) 19.785 2.094 ( 0.000 0.000 0.161) 0.161 2.274 ( 0.000 0.000 11.180) 11.180 2.280 ( 0.000 0.000 -4.255) 4.255 2.487 ( 0.000 0.000 5.121) 5.121 2.527 ( 0.000 0.000 14.449) 14.449 2.575 ( 0.000 0.000 -0.800) 0.800 2.586 ( 0.000 0.000 -2.456) 2.456 2.624 ( 0.000 0.000 4.415) 4.415 2.877 ( 0.000 0.000 -3.563) 3.563 2.885 ( 0.000 0.000 -5.516) 5.516 2.885 ( 0.000 0.000 -0.541) 0.541 2.909 ( 0.000 0.000 -12.676) 12.676 2.915 ( 0.000 0.000 -0.474) 0.474 3.135 ( 0.000 0.000 -17.943) 17.943 3.137 ( 0.000 0.000 3.439) 3.439 3.261 ( 0.000 0.000 -1.694) 1.694 3.286 ( 0.000 0.000 -20.451) 20.451 3.752 ( 0.000 0.000 0.584) 0.584 3.923 ( 0.000 0.000 12.154) 12.154 4.300 ( 0.000 0.000 18.265) 18.265 4.489 ( 0.000 0.000 -8.347) 8.347 4.584 ( 0.000 0.000 -8.015) 8.015 4.985 ( 0.000 0.000 13.881) 13.881 5.041 ( 0.000 0.000 -3.057) 3.057 5.159 ( 0.000 0.000 -2.226) 2.226 5.441 ( 0.000 0.000 -12.908) 12.908 5.472 ( 0.000 0.000 3.225) 3.225 5.756 ( 0.000 0.000 5.535) 5.535 5.914 ( 0.000 0.000 5.159) 5.159 5.961 ( 0.000 0.000 -3.121) 3.121 5.998 ( 0.000 0.000 -2.777) 2.777 6.562 ( 0.000 0.000 0.475) 0.475 6.728 ( 0.000 0.000 -4.936) 4.936 7.322 ( 0.000 0.000 9.757) 9.757 7.515 ( 0.000 0.000 1.820) 1.820 8.266 ( 0.000 0.000 6.001) 6.001 8.487 ( 0.000 0.000 7.339) 7.339 8.629 ( 0.000 0.000 6.053) 6.053 8.690 ( 0.000 0.000 -11.088) 11.088 8.950 ( 0.000 0.000 -9.638) 9.638 9.027 ( 0.000 0.000 -9.230) 9.230 9.110 ( 0.000 0.000 1.744) 1.744 9.111 ( 0.000 0.000 0.970) 0.970 9.341 ( 0.000 0.000 6.974) 6.974 9.510 ( 0.000 0.000 -0.242) 0.242 10.299 ( 0.000 0.000 4.264) 4.264 10.302 ( 0.000 0.000 2.628) 2.628 10.402 ( 0.000 0.000 -1.229) 1.229 10.548 ( 0.000 0.000 -5.030) 5.030 10.780 ( 0.000 0.000 0.079) 0.079 10.857 ( 0.000 0.000 1.090) 1.090 10.903 ( 0.000 0.000 -0.590) 0.590 11.214 ( 0.000 0.000 13.586) 13.586 11.293 ( 0.000 0.000 -17.429) 17.429 11.630 ( 0.000 0.000 -4.712) 4.712 11.717 ( 0.000 0.000 0.693) 0.693 11.768 ( 0.000 0.000 -1.117) 1.117 11.943 ( 0.000 0.000 6.212) 6.212 12.032 ( 0.000 0.000 -0.328) 0.328 12.793 ( 0.000 0.000 0.070) 0.070 12.799 ( 0.000 0.000 -0.175) 0.175 12.832 ( 0.000 0.000 0.033) 0.033 12.832 ( 0.000 0.000 0.032) 0.032 13.118 ( 0.000 0.000 6.649) 6.649 13.489 ( 0.000 0.000 -6.890) 6.890 13.602 ( 0.000 0.000 0.145) 0.145 13.621 ( 0.000 0.000 -0.383) 0.383 14.509 ( 0.000 0.000 1.050) 1.050 14.512 ( 0.000 0.000 0.943) 0.943 14.882 ( 0.000 0.000 2.505) 2.505 15.044 ( 0.000 0.000 -3.434) 3.434 16.496 ( 0.000 0.000 0.871) 0.871 16.531 ( 0.000 0.000 -0.247) 0.247 16.878 ( 0.000 0.000 -0.502) 0.502 16.937 ( 0.000 0.000 -3.145) 3.145 18.112 ( 0.000 0.000 4.573) 4.573 18.344 ( 0.000 0.000 -4.425) 4.425 18.601 ( 0.000 0.000 2.894) 2.894 18.708 ( 0.000 0.000 -0.809) 0.809 ======================= Grid point 76 (26/72) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 17.377 0.000 20.781) 27.089 0.904 ( 20.496 0.000 20.492) 28.982 1.422 ( 27.135 0.000 37.206) 46.050 1.680 ( 3.793 0.000 -10.718) 11.369 1.814 ( 7.457 0.000 -17.940) 19.428 1.983 ( -9.711 0.000 0.017) 9.711 2.146 ( -12.964 0.000 9.449) 16.042 2.203 ( -6.539 0.000 -4.615) 8.003 2.515 ( 2.375 0.000 4.238) 4.858 2.530 ( -5.270 0.000 -2.065) 5.660 2.593 ( 1.501 0.000 -0.675) 1.646 2.640 ( 9.425 0.000 11.258) 14.683 2.645 ( 1.144 0.000 2.673) 2.907 2.792 ( -4.881 0.000 -2.121) 5.322 2.900 ( 1.925 0.000 -9.778) 9.965 2.916 ( 2.988 0.000 1.194) 3.218 2.961 ( 3.242 0.000 -4.808) 5.799 2.998 ( 4.289 0.000 -2.288) 4.861 3.126 ( -0.869 0.000 3.200) 3.316 3.183 ( 4.316 0.000 -14.007) 14.657 3.243 ( -1.726 0.000 -1.634) 2.377 3.353 ( 5.270 0.000 -14.942) 15.844 3.641 ( -8.757 0.000 4.479) 9.836 3.907 ( -0.519 0.000 4.110) 4.143 4.158 ( -8.200 0.000 12.450) 14.907 4.274 ( -13.434 0.000 -6.914) 15.109 4.666 ( -3.115 0.000 -17.392) 17.669 4.858 ( -13.033 0.000 -3.147) 13.408 5.037 ( -4.950 0.000 9.617) 10.816 5.272 ( 12.482 0.000 0.395) 12.488 5.392 ( 4.734 0.000 2.536) 5.370 5.605 ( 5.750 0.000 -2.490) 6.266 5.757 ( -4.187 0.000 3.402) 5.395 5.822 ( -5.567 0.000 1.478) 5.760 6.045 ( 5.854 0.000 -2.386) 6.322 6.068 ( 5.813 0.000 -0.373) 5.825 6.547 ( 1.395 0.000 1.443) 2.007 6.816 ( 6.325 0.000 -7.984) 10.186 7.280 ( -7.445 0.000 8.524) 11.318 7.496 ( -0.063 0.000 -1.374) 1.375 8.285 ( 1.894 0.000 5.940) 6.235 8.567 ( -5.346 0.000 5.602) 7.744 8.618 ( 9.375 0.000 4.825) 10.544 8.701 ( 1.210 0.000 -10.229) 10.300 8.903 ( -7.087 0.000 3.605) 7.952 8.940 ( -6.261 0.000 -7.541) 9.801 8.940 ( -4.366 0.000 3.161) 5.390 9.118 ( -1.428 0.000 0.250) 1.450 9.459 ( 9.086 0.000 4.837) 10.293 9.586 ( 6.417 0.000 0.081) 6.418 10.252 ( -4.325 0.000 2.405) 4.949 10.348 ( -4.961 0.000 -1.231) 5.111 10.449 ( 14.523 0.000 1.922) 14.650 10.612 ( 4.181 0.000 -2.486) 4.864 10.791 ( 0.423 0.000 0.147) 0.448 10.875 ( 1.498 0.000 0.913) 1.754 10.911 ( 0.586 0.000 -0.399) 0.709 11.078 ( -6.502 0.000 0.601) 6.530 11.531 ( 13.799 0.000 -9.266) 16.622 11.723 ( 0.555 0.000 0.516) 0.758 11.741 ( 9.100 0.000 -6.406) 11.129 11.764 ( -0.361 0.000 -0.949) 1.015 12.039 ( 3.325 0.000 3.036) 4.503 12.181 ( 13.088 0.000 -3.996) 13.685 12.793 ( 0.012 0.000 0.049) 0.051 12.798 ( -0.108 0.000 -0.146) 0.182 12.832 ( 0.004 0.000 0.027) 0.027 12.832 ( 0.003 0.000 0.027) 0.027 12.922 ( -18.904 0.000 7.560) 20.360 13.134 ( -27.452 0.000 6.604) 28.235 13.522 ( -2.778 0.000 -1.292) 3.063 13.565 ( -2.835 0.000 -1.756) 3.335 14.462 ( -0.765 0.000 2.826) 2.928 14.524 ( -1.537 0.000 0.417) 1.592 14.913 ( 2.654 0.000 2.325) 3.528 15.044 ( -0.432 0.000 -2.414) 2.452 16.539 ( 4.572 0.000 1.138) 4.712 16.660 ( 6.528 0.000 -4.952) 8.194 16.899 ( 2.256 0.000 -1.647) 2.793 17.000 ( 3.380 0.000 -3.890) 5.153 18.112 ( 0.237 0.000 3.702) 3.710 18.311 ( -4.237 0.000 -2.517) 4.929 18.498 ( -8.488 0.000 7.387) 11.252 18.558 ( -4.763 0.000 2.554) 5.404 ======================= Grid point 77 (27/72) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 20.188 0.000 12.351) 23.667 1.330 ( 21.091 0.000 16.684) 26.892 1.617 ( -14.552 0.000 6.594) 15.976 1.744 ( -18.503 0.000 11.785) 21.937 1.889 ( 5.268 0.000 -10.460) 11.712 2.046 ( -8.445 0.000 -7.287) 11.154 2.049 ( 18.459 0.000 -6.070) 19.431 2.114 ( 27.001 0.000 9.950) 28.776 2.331 ( -12.070 0.000 -10.679) 16.116 2.573 ( 3.088 0.000 2.380) 3.899 2.616 ( -0.218 0.000 -0.077) 0.231 2.658 ( 0.831 0.000 1.047) 1.337 2.703 ( -3.543 0.000 -0.454) 3.572 2.729 ( -21.088 0.000 5.179) 21.714 2.918 ( 11.225 0.000 12.621) 16.891 2.988 ( 3.629 0.000 1.570) 3.954 3.023 ( 3.504 0.000 3.532) 4.975 3.043 ( -0.939 0.000 0.284) 0.981 3.131 ( 2.376 0.000 0.273) 2.392 3.194 ( -3.045 0.000 -1.374) 3.341 3.229 ( 0.785 0.000 -3.349) 3.439 3.339 ( -8.765 0.000 -2.887) 9.228 3.614 ( 10.360 0.000 -3.472) 10.926 3.918 ( -16.266 0.000 -11.813) 20.103 4.018 ( 12.270 0.000 -5.409) 13.409 4.194 ( 6.255 0.000 -3.761) 7.299 4.412 ( -15.548 0.000 -12.241) 19.789 4.523 ( -16.827 0.000 -8.907) 19.039 5.134 ( 9.958 0.000 9.588) 13.824 5.329 ( -6.749 0.000 3.669) 7.681 5.524 ( 6.818 0.000 3.991) 7.900 5.638 ( -3.515 0.000 2.223) 4.159 5.726 ( 1.980 0.000 -0.051) 1.981 5.755 ( -0.664 0.000 -0.789) 1.031 6.132 ( 2.657 0.000 -0.294) 2.673 6.147 ( 1.351 0.000 0.538) 1.454 6.660 ( 8.696 0.000 1.643) 8.850 6.837 ( -6.364 0.000 -2.486) 6.833 7.233 ( 5.989 0.000 3.593) 6.984 7.409 ( -8.266 0.000 -2.705) 8.697 8.345 ( 4.018 0.000 5.754) 7.018 8.447 ( -5.848 0.000 5.527) 8.046 8.739 ( 2.939 0.000 3.386) 4.483 8.742 ( 2.911 0.000 -8.970) 9.431 8.820 ( -4.360 0.000 0.181) 4.364 8.822 ( -4.968 0.000 -7.799) 9.247 8.932 ( 5.899 0.000 7.086) 9.221 9.057 ( -4.790 0.000 2.082) 5.223 9.640 ( 7.465 0.000 3.623) 8.298 9.699 ( 2.560 0.000 1.578) 3.007 10.174 ( -1.574 0.000 1.018) 1.874 10.227 ( -5.796 0.000 -0.862) 5.860 10.697 ( 4.037 0.000 1.135) 4.193 10.763 ( 1.388 0.000 -1.355) 1.940 10.788 ( 10.646 0.000 -0.919) 10.686 10.904 ( 1.185 0.000 0.502) 1.287 10.917 ( -0.078 0.000 0.025) 0.082 10.976 ( -5.048 0.000 -3.984) 6.431 11.738 ( 0.804 0.000 0.056) 0.806 11.753 ( -0.683 0.000 -0.504) 0.849 11.796 ( 13.174 0.000 -1.566) 13.267 11.962 ( 6.748 0.000 -2.085) 7.063 12.098 ( 4.646 0.000 3.103) 5.587 12.306 ( -4.425 0.000 -3.988) 5.957 12.538 ( -9.991 0.000 6.765) 12.066 12.647 ( -18.429 0.000 4.333) 18.932 12.794 ( 0.065 0.000 -0.006) 0.065 12.796 ( -0.124 0.000 -0.079) 0.146 12.832 ( 0.008 0.000 0.018) 0.020 12.832 ( -0.004 0.000 0.018) 0.019 13.492 ( 0.027 0.000 -3.309) 3.309 13.516 ( -1.996 0.000 -3.506) 4.035 14.461 ( 0.502 0.000 1.317) 1.409 14.484 ( -1.808 0.000 0.552) 1.891 14.972 ( 2.864 0.000 1.361) 3.171 15.021 ( -1.813 0.000 -0.386) 1.854 16.652 ( 5.641 0.000 1.686) 5.888 16.724 ( -0.505 0.000 0.014) 0.505 16.958 ( 3.320 0.000 -3.416) 4.764 17.016 ( -1.685 0.000 -3.346) 3.746 18.132 ( 1.995 0.000 1.627) 2.574 18.201 ( -4.835 0.000 1.042) 4.946 18.436 ( 0.182 0.000 1.762) 1.771 18.472 ( -3.253 0.000 1.069) 3.424 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.00 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 0.000 18.054 20.385) 27.231 0.921 ( 0.000 20.316 21.878) 29.856 1.572 ( 0.000 38.411 30.803) 49.236 1.786 ( 0.000 6.343 -16.188) 17.386 1.837 ( 0.000 16.836 -15.370) 22.797 2.268 ( 0.000 15.338 0.251) 15.340 2.312 ( 0.000 4.938 9.693) 10.878 2.464 ( 0.000 13.847 -0.768) 13.869 2.533 ( 0.000 4.730 2.306) 5.262 2.548 ( 0.000 5.422 9.911) 11.297 2.712 ( 0.000 8.848 -2.187) 9.115 2.738 ( 0.000 13.432 5.145) 14.384 2.778 ( 0.000 14.598 1.817) 14.711 2.785 ( 0.000 1.338 -5.823) 5.975 2.907 ( 0.000 2.472 -3.834) 4.561 3.033 ( 0.000 14.140 -3.741) 14.627 3.079 ( 0.000 15.331 -1.130) 15.373 3.145 ( 0.000 3.477 -14.318) 14.734 3.168 ( 0.000 16.879 -6.746) 18.177 3.311 ( 0.000 15.354 3.434) 15.733 3.335 ( 0.000 5.663 -15.623) 16.618 3.452 ( 0.000 17.547 -1.653) 17.624 3.782 ( 0.000 3.628 -3.537) 5.067 3.928 ( 0.000 1.383 11.800) 11.881 4.298 ( 0.000 0.100 19.283) 19.283 4.465 ( 0.000 -1.248 -8.893) 8.980 4.589 ( 0.000 0.542 -8.940) 8.957 4.979 ( 0.000 -0.646 12.491) 12.508 5.031 ( 0.000 -0.861 -1.406) 1.649 5.135 ( 0.000 -1.952 -0.305) 1.975 5.362 ( 0.000 -6.512 7.348) 9.819 5.406 ( 0.000 -3.220 -12.570) 12.976 5.730 ( 0.000 -2.522 5.506) 6.057 5.884 ( 0.000 -2.824 5.282) 5.989 5.936 ( 0.000 -2.206 -2.468) 3.310 5.984 ( 0.000 -0.693 -3.808) 3.871 6.560 ( 0.000 0.011 0.425) 0.425 6.696 ( 0.000 -2.598 -3.894) 4.681 7.259 ( 0.000 -4.999 6.895) 8.516 7.420 ( 0.000 -7.549 0.219) 7.552 8.446 ( 0.000 7.981 -3.385) 8.669 8.459 ( 0.000 -2.267 5.567) 6.011 8.734 ( 0.000 2.911 -7.314) 7.872 8.846 ( 0.000 17.709 3.143) 17.986 8.920 ( 0.000 -3.257 -8.120) 8.749 9.065 ( 0.000 -1.291 -1.982) 2.366 9.084 ( 0.000 -0.121 3.280) 3.282 9.188 ( 0.000 11.444 -4.989) 12.484 9.542 ( 0.000 17.526 5.420) 18.345 9.684 ( 0.000 15.931 -0.433) 15.937 10.245 ( 0.000 -3.883 6.748) 7.785 10.398 ( 0.000 8.152 2.945) 8.668 10.524 ( 0.000 10.503 -1.376) 10.593 10.577 ( 0.000 2.189 -4.313) 4.836 10.769 ( 0.000 -0.026 -0.171) 0.173 10.913 ( 0.000 5.659 1.679) 5.903 10.919 ( 0.000 1.519 -2.193) 2.667 11.201 ( 0.000 -1.112 12.062) 12.113 11.355 ( 0.000 -1.012 -13.611) 13.648 11.615 ( 0.000 -1.808 -8.498) 8.688 11.694 ( 0.000 -0.882 -5.011) 5.088 11.731 ( 0.000 -2.812 -1.957) 3.426 12.160 ( 0.000 14.019 -1.844) 14.140 12.180 ( 0.000 11.903 -0.108) 11.904 12.663 ( 0.000 -10.648 -0.788) 10.677 12.670 ( 0.000 -9.480 0.178) 9.482 12.815 ( 0.000 -1.445 1.610) 2.164 12.849 ( 0.000 2.622 0.201) 2.630 13.123 ( 0.000 0.320 6.520) 6.528 13.491 ( 0.000 -0.011 -7.713) 7.713 13.638 ( 0.000 3.059 1.159) 3.271 13.675 ( 0.000 4.592 0.386) 4.608 14.468 ( 0.000 -4.576 1.931) 4.967 14.540 ( 0.000 2.074 -1.277) 2.435 14.821 ( 0.000 -5.929 1.947) 6.241 14.962 ( 0.000 -7.864 -3.266) 8.515 16.544 ( 0.000 0.620 0.183) 0.646 16.586 ( 0.000 3.943 -4.331) 5.857 16.862 ( 0.000 -1.322 -1.774) 2.212 16.886 ( 0.000 -4.771 -2.463) 5.369 18.039 ( 0.000 -7.017 4.118) 8.136 18.233 ( 0.000 -10.940 -2.323) 11.184 18.445 ( 0.000 -17.114 9.414) 19.532 18.487 ( 0.000 -10.836 2.219) 11.060 ======================= Grid point 81 (29/72) ======================= q-point: ( 0.20 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 17.387 13.954 16.367) 27.657 1.081 ( 13.902 16.126 19.044) 28.565 1.769 ( 16.371 27.395 15.360) 35.418 1.859 ( 6.787 14.100 -4.613) 16.314 1.911 ( 7.016 14.136 -13.710) 20.905 2.163 ( -9.890 15.643 1.149) 18.543 2.176 ( -11.346 4.760 7.401) 14.359 2.394 ( -6.341 16.030 -3.796) 17.652 2.514 ( -2.190 3.097 -4.022) 5.528 2.621 ( 6.473 3.190 12.795) 14.690 2.688 ( -0.738 9.235 0.392) 9.272 2.772 ( 1.899 10.804 -0.663) 10.990 2.781 ( 0.662 12.305 1.140) 12.375 2.844 ( 3.144 7.792 2.522) 8.773 2.957 ( 2.548 5.600 -3.482) 7.069 2.992 ( -0.285 13.013 -2.085) 13.182 3.131 ( 4.013 13.207 -1.412) 13.875 3.193 ( 2.171 15.779 -4.323) 16.504 3.217 ( 4.652 6.390 -11.604) 14.040 3.311 ( 0.401 15.299 1.772) 15.406 3.388 ( 3.785 6.004 -10.562) 12.725 3.437 ( -1.056 16.344 -1.839) 16.481 3.674 ( -8.578 4.076 2.033) 9.712 3.931 ( 0.105 3.017 1.519) 3.380 4.155 ( -8.450 0.007 13.324) 15.778 4.274 ( -13.294 0.124 -7.007) 15.028 4.631 ( -3.648 -2.479 -15.522) 16.137 4.845 ( -13.602 -1.024 -5.643) 14.761 5.024 ( -1.899 -0.811 11.439) 11.624 5.223 ( 10.920 -3.455 5.456) 12.687 5.362 ( 5.163 -2.778 1.730) 6.113 5.555 ( 6.373 -4.284 -3.138) 8.295 5.721 ( -3.115 -3.392 3.436) 5.746 5.774 ( -5.748 -3.378 2.448) 7.102 6.017 ( 5.285 -3.036 -0.876) 6.157 6.040 ( 4.029 -1.770 -1.477) 4.642 6.549 ( 1.494 0.327 1.736) 2.314 6.788 ( 6.333 -2.267 -6.869) 9.614 7.180 ( -6.664 -6.675 8.606) 12.768 7.414 ( -1.377 -6.634 -1.359) 6.910 8.446 ( 2.147 6.399 -2.028) 7.047 8.570 ( 6.964 -2.384 2.317) 7.716 8.726 ( -0.611 2.118 -6.073) 6.461 8.791 ( -5.928 11.943 -0.643) 13.349 8.892 ( -0.457 3.260 0.014) 3.292 9.033 ( -2.506 6.796 1.428) 7.383 9.092 ( -2.589 8.574 -1.735) 9.123 9.134 ( -2.231 7.137 -0.529) 7.496 9.617 ( 7.045 15.016 4.813) 17.270 9.732 ( 4.294 13.643 0.386) 14.309 10.325 ( -0.726 3.702 3.631) 5.235 10.433 ( 10.958 1.853 3.373) 11.614 10.442 ( -6.272 7.794 -0.352) 10.010 10.622 ( 3.866 2.312 -2.868) 5.340 10.789 ( 1.042 0.054 0.097) 1.048 10.916 ( -0.592 3.441 -0.574) 3.539 10.933 ( 1.789 2.817 -0.432) 3.365 11.080 ( -5.378 0.275 1.721) 5.653 11.551 ( 10.572 -1.857 -1.904) 10.901 11.636 ( 0.385 -2.552 -3.564) 4.400 11.699 ( 4.591 -2.377 -4.377) 6.774 11.776 ( 4.739 -1.972 -5.092) 7.230 12.128 ( -1.686 7.120 3.203) 7.987 12.275 ( 5.456 6.317 -5.433) 9.959 12.645 ( -1.331 -10.219 0.577) 10.322 12.674 ( -0.760 -9.056 -1.192) 9.166 12.811 ( -2.985 -0.531 1.550) 3.405 12.815 ( -2.721 -0.871 1.186) 3.094 12.958 ( -13.133 2.628 5.914) 14.641 13.215 ( -23.479 4.161 -0.636) 23.853 13.598 ( -0.417 6.152 -0.078) 6.167 13.641 ( -1.070 6.497 -1.181) 6.689 14.449 ( -0.653 -2.538 2.352) 3.521 14.525 ( -2.269 -0.399 -0.542) 2.366 14.860 ( 3.203 -5.102 1.652) 6.246 14.972 ( 0.441 -7.088 -2.432) 7.507 16.557 ( 3.048 0.930 0.852) 3.299 16.664 ( 4.250 -0.441 -3.956) 5.822 16.870 ( 1.987 -2.905 -1.693) 3.905 16.959 ( 3.536 -3.758 -3.306) 6.128 18.038 ( 0.011 -7.235 3.348) 7.972 18.196 ( -3.859 -10.809 0.004) 11.477 18.376 ( -3.416 -10.474 5.979) 12.535 18.447 ( -3.531 -10.361 1.719) 11.081 ======================= Grid point 82 (30/72) ======================= q-point: ( 0.40 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 18.106 11.111 14.315) 25.617 1.435 ( 20.623 12.275 11.018) 26.408 1.771 ( -14.556 8.364 7.488) 18.382 1.828 ( -17.257 12.506 7.886) 22.724 2.079 ( 5.910 16.026 -10.395) 19.995 2.118 ( 11.447 6.854 -13.423) 18.926 2.240 ( -7.265 16.752 -7.171) 19.617 2.297 ( 21.719 18.695 11.682) 30.946 2.370 ( -8.899 4.770 -9.747) 14.034 2.672 ( -2.576 7.507 1.385) 8.056 2.730 ( -2.979 9.713 3.009) 10.596 2.766 ( 0.744 12.320 1.417) 12.423 2.849 ( -0.597 14.334 1.836) 14.464 2.869 ( -1.378 11.476 5.589) 12.839 2.947 ( 5.557 4.392 10.499) 12.665 3.058 ( 2.124 5.596 5.002) 7.801 3.199 ( -0.293 17.006 0.371) 17.013 3.215 ( -0.117 16.462 0.664) 16.476 3.255 ( 1.239 4.896 -2.124) 5.479 3.308 ( 0.187 14.510 -0.127) 14.511 3.381 ( -2.711 14.302 -1.458) 14.630 3.404 ( -6.123 10.352 -1.392) 12.107 3.630 ( 9.664 2.293 -3.067) 10.395 3.924 ( -15.793 0.808 -11.071) 19.304 4.026 ( 11.129 1.079 -4.437) 12.029 4.196 ( 6.384 0.587 -5.259) 8.292 4.394 ( -14.299 -1.457 -11.187) 18.213 4.517 ( -16.311 -0.142 -10.364) 19.325 5.129 ( 9.167 -0.406 9.738) 13.380 5.300 ( -4.971 -2.491 5.655) 7.930 5.491 ( 6.527 -3.009 2.309) 7.549 5.593 ( -2.601 -4.024 0.975) 4.889 5.680 ( 0.970 -3.998 2.316) 4.721 5.708 ( -1.301 -4.234 0.758) 4.494 6.100 ( 2.115 -3.851 -0.163) 4.397 6.102 ( 1.698 -3.199 -0.282) 3.633 6.652 ( 7.909 -0.241 2.288) 8.237 6.815 ( -5.873 -1.473 -1.482) 6.234 7.148 ( 6.161 -6.430 2.708) 9.308 7.318 ( -7.904 -6.794 -2.426) 10.701 8.524 ( 5.354 7.494 -2.547) 9.556 8.651 ( -6.678 7.619 -2.028) 10.332 8.678 ( 2.770 -0.245 -0.910) 2.926 8.713 ( -0.925 -0.376 -3.618) 3.753 8.912 ( 2.121 9.788 2.589) 10.345 8.969 ( -3.311 10.476 2.458) 11.259 9.044 ( 0.473 12.815 1.054) 12.867 9.094 ( -2.884 6.366 2.040) 7.281 9.775 ( 6.731 12.115 3.403) 14.271 9.820 ( 2.650 11.172 1.877) 11.634 10.261 ( -2.259 7.973 1.823) 8.485 10.302 ( -5.892 7.367 0.633) 9.455 10.698 ( 5.106 -0.436 -0.150) 5.127 10.752 ( 9.535 -0.885 -2.415) 9.876 10.779 ( 0.896 0.594 1.307) 1.693 10.899 ( -1.113 -0.892 -2.124) 2.559 10.975 ( 1.365 5.071 0.517) 5.277 11.009 ( -2.608 3.187 -1.934) 4.550 11.642 ( 1.545 -5.715 1.655) 6.147 11.653 ( 0.716 -5.795 0.831) 5.898 11.862 ( 7.925 1.913 -2.361) 8.487 11.954 ( 7.438 -1.954 -1.022) 7.758 12.122 ( 4.099 1.972 2.191) 5.049 12.306 ( -4.740 -0.666 -3.782) 6.100 12.530 ( -8.857 -0.889 5.573) 10.502 12.593 ( -8.962 -4.155 -0.204) 9.881 12.650 ( -0.599 -9.816 -2.067) 10.049 12.721 ( -9.294 -3.591 -1.590) 10.089 12.852 ( -0.318 2.048 2.210) 3.030 12.874 ( -3.892 3.598 1.111) 5.415 13.613 ( 1.360 9.235 -1.580) 9.468 13.633 ( -0.411 8.966 -2.012) 9.198 14.445 ( 0.372 -2.320 1.176) 2.627 14.472 ( -2.271 -1.893 0.239) 2.966 14.925 ( 2.778 -4.845 0.760) 5.636 14.966 ( -1.160 -5.664 -0.717) 5.826 16.648 ( 4.811 -0.662 1.500) 5.082 16.709 ( -0.457 -1.573 0.123) 1.642 16.926 ( 3.145 -3.179 -2.774) 5.262 16.979 ( -1.409 -3.512 -2.850) 4.737 18.051 ( 1.598 -7.820 1.409) 8.105 18.108 ( -3.912 -8.833 0.939) 9.706 18.349 ( 0.230 -8.428 1.505) 8.565 18.378 ( -2.625 -9.035 0.965) 9.458 ======================= Grid point 85 (31/72) ======================= q-point: ( 0.00 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 0.000 22.547 11.950) 25.518 1.361 ( 0.000 22.379 13.388) 26.078 1.948 ( 0.000 10.435 -14.138) 17.572 2.153 ( 0.000 12.850 -16.407) 20.840 2.463 ( 0.000 41.641 17.916) 45.332 2.470 ( 0.000 9.589 3.941) 10.367 2.566 ( 0.000 5.520 10.134) 11.540 2.573 ( 0.000 8.940 0.753) 8.972 2.736 ( 0.000 3.891 -5.439) 6.687 2.759 ( 0.000 20.407 1.956) 20.501 2.939 ( 0.000 12.110 -9.036) 15.109 2.979 ( 0.000 5.916 -1.285) 6.054 3.003 ( 0.000 19.985 -3.946) 20.370 3.061 ( 0.000 16.950 7.700) 18.617 3.179 ( 0.000 22.919 0.748) 22.932 3.288 ( 0.000 14.070 -4.560) 14.790 3.448 ( 0.000 15.993 0.897) 16.019 3.464 ( 0.000 24.180 -3.188) 24.389 3.546 ( 0.000 18.327 -4.179) 18.797 3.548 ( 0.000 18.312 0.039) 18.312 3.681 ( 0.000 19.861 6.793) 20.991 3.877 ( 0.000 19.351 -6.839) 20.524 3.989 ( 0.000 22.089 -10.935) 24.648 4.016 ( 0.000 7.810 8.012) 11.189 4.346 ( 0.000 6.854 17.421) 18.721 4.455 ( 0.000 0.615 -10.931) 10.949 4.609 ( 0.000 1.595 -10.252) 10.375 4.965 ( 0.000 -0.400 7.229) 7.240 5.012 ( 0.000 -0.795 3.391) 3.483 5.091 ( 0.000 -2.339 1.948) 3.044 5.237 ( 0.000 -6.185 5.138) 8.040 5.322 ( 0.000 -4.781 -11.531) 12.483 5.663 ( 0.000 -3.670 5.127) 6.305 5.807 ( 0.000 -4.576 6.003) 7.548 5.875 ( 0.000 -3.867 -2.945) 4.860 5.967 ( 0.000 -1.207 -3.835) 4.021 6.572 ( 0.000 1.352 0.518) 1.448 6.646 ( 0.000 -1.808 -1.753) 2.518 7.166 ( 0.000 -3.567 2.347) 4.270 7.249 ( 0.000 -8.611 -0.609) 8.632 8.404 ( 0.000 -3.095 3.572) 4.727 8.536 ( 0.000 1.531 -4.977) 5.207 8.724 ( 0.000 -4.528 -2.762) 5.304 8.833 ( 0.000 -4.746 -4.199) 6.336 9.015 ( 0.000 1.079 -0.439) 1.165 9.021 ( 0.000 -1.937 -0.193) 1.946 9.353 ( 0.000 21.862 2.890) 22.052 9.475 ( 0.000 14.683 -2.987) 14.984 9.956 ( 0.000 20.971 3.636) 21.284 10.071 ( 0.000 19.322 -1.490) 19.380 10.215 ( 0.000 2.140 9.819) 10.050 10.555 ( 0.000 6.884 2.128) 7.206 10.639 ( 0.000 3.645 -1.686) 4.016 10.678 ( 0.000 1.137 0.098) 1.141 10.831 ( 0.000 5.582 -1.304) 5.733 10.942 ( 0.000 0.395 -4.330) 4.348 11.034 ( 0.000 2.960 4.788) 5.630 11.237 ( 0.000 8.770 5.157) 10.174 11.262 ( 0.000 -6.604 -3.048) 7.274 11.642 ( 0.000 0.000 -2.119) 2.119 11.680 ( 0.000 7.180 -10.745) 12.923 11.707 ( 0.000 3.302 -1.588) 3.664 12.354 ( 0.000 5.476 -1.083) 5.582 12.406 ( 0.000 7.101 -0.813) 7.148 12.513 ( 0.000 -0.331 -2.637) 2.658 12.527 ( 0.000 -4.125 -1.148) 4.282 12.796 ( 0.000 0.448 5.415) 5.434 12.908 ( 0.000 2.705 -0.153) 2.710 13.127 ( 0.000 0.020 5.351) 5.351 13.481 ( 0.000 -1.259 -9.765) 9.845 13.704 ( 0.000 2.988 2.293) 3.766 13.768 ( 0.000 3.543 1.861) 4.002 14.320 ( 0.000 -9.786 4.429) 10.742 14.549 ( 0.000 -2.084 -3.772) 4.310 14.656 ( 0.000 -9.841 0.545) 9.856 14.747 ( 0.000 -12.637 -2.988) 12.986 16.523 ( 0.000 -3.280 0.319) 3.295 16.588 ( 0.000 -2.909 -3.513) 4.561 16.764 ( 0.000 -6.711 -0.231) 6.715 16.827 ( 0.000 -2.275 -2.803) 3.611 17.840 ( 0.000 -12.299 2.980) 12.655 17.940 ( 0.000 -16.683 1.796) 16.780 18.118 ( 0.000 -16.463 4.273) 17.009 18.192 ( 0.000 -17.586 1.082) 17.619 ======================= Grid point 86 (32/72) ======================= q-point: ( 0.20 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 11.594 19.005 10.963) 24.815 1.458 ( 8.830 20.057 13.239) 25.603 2.002 ( 4.045 9.494 -13.255) 16.798 2.206 ( 3.356 11.607 -11.602) 16.751 2.347 ( -7.713 12.129 -1.465) 14.448 2.499 ( -10.676 13.256 3.020) 17.287 2.564 ( -0.220 13.537 -1.936) 13.677 2.612 ( 5.082 30.252 8.888) 31.938 2.659 ( 9.946 7.745 12.472) 17.733 2.814 ( -4.016 13.786 -4.802) 15.141 2.926 ( 2.242 15.947 -0.688) 16.118 2.977 ( -1.256 18.771 0.461) 18.818 3.040 ( 4.796 6.042 1.051) 7.785 3.129 ( 3.598 13.912 1.588) 14.457 3.215 ( 2.728 21.559 1.914) 21.816 3.335 ( 1.327 17.359 -5.487) 18.254 3.403 ( -0.897 18.819 -2.146) 18.962 3.470 ( 2.638 12.559 1.756) 12.952 3.562 ( 1.497 16.521 -0.319) 16.592 3.616 ( 3.090 20.504 -2.504) 20.887 3.679 ( 0.154 19.419 6.834) 20.587 3.833 ( -2.827 19.459 -5.423) 20.398 3.938 ( -3.015 24.091 -0.690) 24.288 4.067 ( 2.634 10.837 -10.493) 15.313 4.202 ( -10.510 7.443 15.397) 20.072 4.293 ( -11.505 2.895 -6.848) 13.698 4.595 ( -5.780 -0.728 -12.816) 14.078 4.831 ( -12.509 0.284 -8.257) 14.991 5.019 ( 1.603 0.552 11.545) 11.669 5.161 ( 8.396 -2.611 7.149) 11.332 5.285 ( 5.370 -4.769 1.376) 7.313 5.451 ( 6.305 -5.705 -3.770) 9.301 5.633 ( -3.094 -4.924 3.380) 6.727 5.703 ( -6.537 -3.628 2.652) 7.933 5.930 ( 3.212 -5.432 0.093) 6.311 5.997 ( 2.144 -2.642 -2.519) 4.233 6.570 ( 2.090 1.938 2.117) 3.550 6.746 ( 7.058 -1.474 -4.509) 8.504 7.063 ( -6.975 -4.631 5.199) 9.855 7.268 ( -0.898 -7.112 -2.898) 7.732 8.444 ( 3.053 -3.629 1.564) 4.994 8.565 ( 2.477 -0.238 -4.072) 4.772 8.680 ( -3.061 -5.023 -1.536) 6.080 8.775 ( -2.708 -4.541 -1.903) 5.619 9.095 ( 5.162 4.722 -1.391) 7.133 9.106 ( 5.583 1.388 -0.887) 5.821 9.349 ( -0.346 19.860 2.435) 20.012 9.432 ( -3.451 15.343 -2.096) 15.866 9.993 ( 2.881 19.462 4.148) 20.107 10.077 ( 1.337 18.140 0.601) 18.199 10.327 ( 8.828 0.696 6.306) 10.871 10.532 ( -1.516 3.499 -0.336) 3.828 10.597 ( 1.512 7.697 3.821) 8.725 10.770 ( 2.789 8.732 -1.299) 9.259 10.816 ( -1.345 4.068 -0.996) 4.399 10.925 ( -2.006 -2.235 -3.306) 4.466 11.046 ( -0.181 5.720 0.905) 5.794 11.084 ( -1.573 -0.204 1.177) 1.976 11.523 ( 11.294 2.765 1.442) 11.716 11.622 ( -2.361 1.311 -1.119) 2.923 11.680 ( 2.123 -0.202 -1.399) 2.551 11.745 ( 5.784 3.345 -8.610) 10.899 12.259 ( -6.903 4.929 2.032) 8.722 12.353 ( -3.801 0.824 -3.657) 5.339 12.529 ( -0.737 -0.279 -0.963) 1.244 12.539 ( -0.378 -3.358 -3.341) 4.753 12.800 ( -0.029 0.718 4.554) 4.611 12.838 ( -7.382 2.869 1.523) 8.065 13.011 ( -8.715 2.526 5.179) 10.448 13.273 ( -18.659 2.028 -5.445) 19.542 13.718 ( 3.158 4.670 1.209) 5.766 13.775 ( 1.086 5.651 -0.517) 5.778 14.329 ( 0.425 -9.176 3.372) 9.785 14.474 ( -5.099 -5.229 -1.724) 7.504 14.718 ( 3.600 -8.696 -0.407) 9.421 14.769 ( 1.594 -12.430 -2.359) 12.752 16.544 ( 2.435 -2.719 0.338) 3.665 16.621 ( 2.489 -3.759 -3.041) 5.438 16.780 ( 1.977 -5.766 0.168) 6.097 16.871 ( 2.492 -4.443 -2.304) 5.591 17.832 ( -0.541 -12.668 2.413) 12.907 17.917 ( -2.110 -15.855 1.549) 16.069 18.113 ( -0.302 -15.316 2.602) 15.538 18.165 ( -2.156 -16.784 0.919) 16.946 ======================= Grid point 87 (33/72) ======================= q-point: ( 0.40 0.13 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 13.889 14.459 9.096) 22.016 1.718 ( 18.120 13.981 10.247) 25.076 1.946 ( -10.779 10.410 4.967) 15.787 2.120 ( -17.278 12.835 4.052) 21.902 2.277 ( 6.524 9.435 -11.478) 16.227 2.434 ( 1.197 13.327 -13.702) 19.151 2.466 ( -1.375 9.204 -10.404) 13.959 2.641 ( -9.222 16.711 -10.928) 21.994 2.804 ( 10.270 21.304 8.949) 25.287 2.943 ( -0.798 18.597 4.679) 19.193 2.950 ( 8.419 12.777 9.438) 17.978 3.001 ( 7.011 18.315 4.673) 20.160 3.076 ( -3.931 5.242 8.552) 10.774 3.151 ( -2.123 16.330 0.357) 16.471 3.248 ( 1.954 20.516 3.862) 20.967 3.315 ( -2.574 21.268 2.313) 21.547 3.437 ( 3.472 13.234 0.372) 13.687 3.525 ( -1.917 10.883 1.985) 11.227 3.580 ( 2.114 13.837 -1.217) 14.051 3.650 ( 1.411 23.713 -1.929) 23.833 3.727 ( 3.208 20.689 3.182) 21.176 3.792 ( -1.750 20.507 -3.233) 20.834 3.881 ( -2.249 26.065 -0.043) 26.162 3.983 ( -10.932 7.732 -8.450) 15.833 4.077 ( 5.894 4.391 2.571) 7.787 4.264 ( 5.248 8.429 -10.933) 14.769 4.369 ( -10.684 -0.436 -8.892) 13.907 4.549 ( -14.188 4.606 -13.173) 19.901 5.128 ( 7.503 0.647 8.936) 11.686 5.250 ( -2.008 -1.890 7.439) 7.933 5.409 ( 6.085 -4.978 0.060) 7.862 5.495 ( -1.463 -5.388 -0.122) 5.584 5.579 ( -0.792 -5.830 3.844) 7.028 5.606 ( -2.904 -5.289 2.754) 6.632 5.992 ( 2.657 -6.295 -0.479) 6.850 6.022 ( -0.066 -4.885 -1.444) 5.094 6.666 ( 6.773 1.766 3.008) 7.618 6.805 ( -4.767 0.777 0.021) 4.830 7.020 ( 6.130 -5.936 0.194) 8.535 7.182 ( -7.253 -6.316 -3.994) 10.414 8.505 ( 3.005 -5.243 -1.775) 6.298 8.568 ( -2.831 -6.226 -4.265) 8.060 8.679 ( 3.271 -1.160 1.077) 3.634 8.739 ( -1.934 -2.581 -0.056) 3.226 9.165 ( 2.073 9.884 -0.610) 10.118 9.182 ( 1.147 7.558 -0.795) 7.686 9.346 ( 0.269 16.200 1.140) 16.242 9.369 ( -2.210 15.191 -0.667) 15.366 10.067 ( 3.800 14.909 4.209) 15.951 10.104 ( 0.442 15.542 2.997) 15.835 10.448 ( 2.661 8.591 3.306) 9.582 10.499 ( -2.426 10.911 1.793) 11.321 10.706 ( 5.023 3.548 -0.474) 6.167 10.762 ( -2.468 1.087 -0.376) 2.723 10.822 ( 4.321 3.742 1.705) 5.964 10.889 ( -1.008 1.188 -4.701) 4.953 11.077 ( 1.747 4.462 0.286) 4.801 11.085 ( -0.008 3.213 -1.649) 3.612 11.581 ( 0.288 0.055 0.591) 0.660 11.593 ( -0.523 0.726 0.306) 0.946 11.844 ( 7.165 -1.908 0.559) 7.436 11.911 ( 5.867 -0.283 -0.253) 5.879 12.159 ( 0.403 1.019 0.215) 1.116 12.250 ( -5.724 -4.570 -2.743) 7.821 12.482 ( -1.225 -1.547 0.037) 1.973 12.542 ( 2.805 0.630 -4.359) 5.221 12.607 ( -11.005 4.265 -1.123) 11.856 12.714 ( -12.766 2.677 -1.061) 13.087 12.911 ( -0.426 4.060 5.350) 6.730 12.960 ( -6.382 4.812 2.410) 8.348 13.792 ( 2.896 7.518 -0.641) 8.082 13.809 ( 1.202 7.734 -1.235) 7.924 14.336 ( 0.739 -8.805 1.527) 8.967 14.380 ( -3.708 -7.571 -0.049) 8.430 14.773 ( 1.777 -10.118 -0.732) 10.299 14.789 ( 0.158 -11.549 -1.343) 11.627 16.613 ( 3.609 -3.072 0.582) 4.775 16.655 ( 0.046 -3.866 -0.656) 3.922 16.834 ( 2.994 -5.638 -0.502) 6.403 16.884 ( -1.359 -5.471 -1.316) 5.789 17.831 ( 0.769 -13.436 0.825) 13.483 17.866 ( -2.482 -14.414 0.499) 14.635 18.111 ( 0.226 -14.582 1.033) 14.620 18.126 ( -1.360 -15.256 0.802) 15.337 ======================= Grid point 90 (34/72) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 0.000 21.014 6.663) 22.045 1.797 ( 0.000 20.203 5.917) 21.051 2.184 ( 0.000 12.548 -6.875) 14.308 2.392 ( 0.000 11.691 -12.050) 16.789 2.612 ( 0.000 2.655 9.320) 9.691 2.630 ( 0.000 5.498 0.846) 5.562 2.704 ( 0.000 5.934 -1.793) 6.199 2.780 ( 0.000 5.228 -5.181) 7.360 3.027 ( 0.000 2.530 -14.431) 14.651 3.032 ( 0.000 6.485 -6.963) 9.515 3.230 ( 0.000 11.803 7.729) 14.109 3.374 ( 0.000 33.830 8.581) 34.901 3.403 ( 0.000 19.029 9.474) 21.257 3.472 ( 0.000 14.941 -0.404) 14.947 3.568 ( 0.000 20.194 5.397) 20.903 3.648 ( 0.000 21.835 1.032) 21.859 3.731 ( 0.000 15.306 8.886) 17.698 3.820 ( 0.000 10.017 1.956) 10.207 3.988 ( 0.000 20.107 -1.392) 20.155 4.014 ( 0.000 26.586 -2.692) 26.722 4.060 ( 0.000 15.612 5.824) 16.663 4.251 ( 0.000 17.853 2.708) 18.057 4.299 ( 0.000 23.503 -14.865) 27.810 4.488 ( 0.000 5.945 -4.398) 7.395 4.524 ( 0.000 21.816 -9.354) 23.737 4.683 ( 0.000 22.370 3.301) 22.612 4.688 ( 0.000 10.393 -5.896) 11.949 4.990 ( 0.000 4.455 -0.322) 4.467 5.016 ( 0.000 1.740 6.987) 7.200 5.038 ( 0.000 -3.363 5.074) 6.087 5.132 ( 0.000 -2.307 1.782) 2.915 5.227 ( 0.000 -4.256 -9.018) 9.972 5.604 ( 0.000 -1.406 3.859) 4.108 5.714 ( 0.000 -3.804 7.365) 8.289 5.790 ( 0.000 -3.908 -3.063) 4.965 5.933 ( 0.000 -2.036 -3.178) 3.774 6.617 ( 0.000 3.022 0.578) 3.077 6.636 ( 0.000 0.834 0.018) 0.834 7.098 ( 0.000 -5.830 0.386) 5.843 7.128 ( 0.000 -0.097 -1.058) 1.063 8.339 ( 0.000 -3.199 1.989) 3.767 8.517 ( 0.000 -2.728 -6.733) 7.265 8.572 ( 0.000 -9.413 3.323) 9.982 8.736 ( 0.000 -5.243 -0.856) 5.312 9.017 ( 0.000 1.897 0.062) 1.898 9.057 ( 0.000 3.390 -1.494) 3.705 9.707 ( 0.000 11.811 -0.156) 11.812 9.721 ( 0.000 8.859 -0.645) 8.882 10.263 ( 0.000 7.600 4.275) 8.720 10.304 ( 0.000 3.170 0.347) 3.189 10.347 ( 0.000 7.940 8.281) 11.473 10.587 ( 0.000 -6.672 1.231) 6.785 10.713 ( 0.000 3.923 -2.102) 4.451 10.762 ( 0.000 11.900 -1.385) 11.980 10.929 ( 0.000 -1.531 -3.350) 3.684 10.937 ( 0.000 5.520 0.868) 5.588 11.053 ( 0.000 2.358 -1.618) 2.859 11.112 ( 0.000 -4.633 -5.402) 7.116 11.556 ( 0.000 19.729 4.521) 20.241 11.793 ( 0.000 13.014 -0.512) 13.024 11.869 ( 0.000 10.610 -2.677) 10.943 11.912 ( 0.000 14.527 -2.725) 14.780 12.404 ( 0.000 -0.837 2.316) 2.463 12.431 ( 0.000 -0.418 -0.155) 0.445 12.501 ( 0.000 2.066 0.652) 2.167 12.662 ( 0.000 9.818 -4.616) 10.849 12.871 ( 0.000 7.758 7.285) 10.643 12.946 ( 0.000 0.862 1.054) 1.362 13.119 ( 0.000 -0.880 3.734) 3.837 13.415 ( 0.000 -6.456 -11.274) 12.992 13.743 ( 0.000 0.529 1.120) 1.238 13.764 ( 0.000 -4.663 2.415) 5.251 14.109 ( 0.000 -10.113 8.139) 12.982 14.439 ( 0.000 -8.604 -4.779) 9.842 14.453 ( 0.000 -9.253 -2.318) 9.539 14.490 ( 0.000 -11.918 -3.321) 12.372 16.410 ( 0.000 -7.303 -0.217) 7.307 16.506 ( 0.000 -4.560 -4.600) 6.477 16.638 ( 0.000 -5.355 3.172) 6.224 16.773 ( 0.000 -2.768 -1.574) 3.185 17.563 ( 0.000 -14.455 1.890) 14.578 17.590 ( 0.000 -17.449 2.255) 17.594 17.762 ( 0.000 -18.569 1.385) 18.621 17.810 ( 0.000 -19.420 0.065) 19.420 ======================= Grid point 91 (35/72) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 6.459 18.958 6.718) 21.125 1.859 ( 5.524 18.964 6.771) 20.880 2.210 ( 1.946 10.745 -7.804) 13.422 2.432 ( 2.563 11.240 -8.783) 14.493 2.556 ( -5.611 9.088 -4.492) 11.587 2.638 ( -3.699 3.191 -0.026) 4.885 2.679 ( -0.239 3.537 3.539) 5.009 2.764 ( 2.416 8.264 0.529) 8.626 2.997 ( -1.225 5.303 -6.885) 8.777 3.106 ( 2.746 4.885 -4.929) 7.463 3.263 ( 4.591 6.939 2.388) 8.656 3.381 ( -0.971 20.723 8.320) 22.352 3.408 ( -4.318 14.529 0.140) 15.158 3.443 ( 4.492 30.042 5.457) 30.862 3.585 ( 1.138 16.388 4.484) 17.029 3.690 ( 3.179 20.521 1.175) 20.799 3.757 ( 2.373 16.196 7.560) 18.030 3.792 ( -1.819 14.945 0.458) 15.062 3.906 ( -3.644 15.141 4.279) 16.150 3.992 ( -2.385 20.574 -0.309) 20.715 4.162 ( 5.957 24.065 -0.172) 24.792 4.232 ( -1.456 18.238 -1.483) 18.356 4.306 ( -6.807 10.732 -7.957) 14.994 4.356 ( -2.281 19.692 -3.752) 20.176 4.509 ( -2.272 13.830 -9.065) 16.691 4.576 ( -6.000 23.807 0.804) 24.564 4.669 ( -5.355 15.313 -3.918) 16.689 4.913 ( -6.005 10.097 -6.065) 13.221 5.056 ( 4.079 3.126 6.523) 8.305 5.127 ( 8.242 -0.277 5.074) 9.683 5.186 ( 4.567 -3.538 1.924) 6.089 5.333 ( 5.956 -5.766 -4.029) 9.217 5.548 ( -4.776 -2.526 3.250) 6.305 5.642 ( -5.734 -1.576 3.130) 6.720 5.807 ( 1.344 -6.186 0.541) 6.353 5.933 ( -0.260 -3.491 -2.575) 4.346 6.629 ( 2.816 3.805 1.870) 5.090 6.732 ( 7.159 -0.118 -1.837) 7.392 6.999 ( -6.412 -1.669 2.569) 7.106 7.152 ( -0.883 -3.710 -3.204) 4.981 8.364 ( 1.737 -4.004 1.694) 4.682 8.502 ( -2.781 -6.101 -2.814) 7.271 8.564 ( 1.492 -5.320 0.351) 5.537 8.690 ( -2.107 -4.057 -0.593) 4.610 9.114 ( 7.767 0.703 0.307) 7.805 9.176 ( 8.616 3.853 -2.310) 9.717 9.660 ( -4.217 8.834 -0.575) 9.806 9.677 ( -3.896 9.193 -0.607) 10.003 10.279 ( -1.364 4.903 4.919) 7.078 10.340 ( 5.413 9.131 2.564) 10.920 10.397 ( 5.931 4.134 3.923) 8.225 10.614 ( 4.171 2.482 2.427) 5.427 10.737 ( 0.531 7.063 3.209) 7.776 10.833 ( 3.168 -2.408 -5.254) 6.590 10.913 ( 0.463 7.366 0.506) 7.397 10.929 ( 0.464 2.789 -0.349) 2.849 11.085 ( 2.485 2.750 -4.181) 5.588 11.119 ( 1.639 2.353 -5.169) 5.911 11.697 ( 11.519 14.313 2.844) 18.592 11.736 ( -6.802 8.940 -0.019) 11.233 11.784 ( -7.080 8.068 0.077) 10.734 11.914 ( 2.630 12.749 -4.304) 13.711 12.314 ( -8.680 -0.261 2.497) 9.036 12.347 ( -7.048 -0.759 0.741) 7.127 12.499 ( -0.935 1.052 -1.227) 1.867 12.614 ( -3.207 6.079 -5.248) 8.648 12.859 ( -1.445 4.950 5.624) 7.631 12.941 ( -1.963 7.623 2.580) 8.283 13.066 ( -3.464 3.222 4.492) 6.524 13.303 ( -12.690 0.682 -8.030) 15.033 13.736 ( 4.390 -4.144 3.032) 6.756 13.824 ( 4.325 -2.181 -0.724) 4.898 14.117 ( -0.237 -10.208 5.369) 11.536 14.330 ( -6.601 -7.941 -2.837) 10.708 14.504 ( 1.197 -12.667 -3.020) 13.076 14.516 ( 1.915 -11.148 -2.902) 11.678 16.442 ( 3.002 -6.899 -0.439) 7.537 16.530 ( 1.880 -4.929 -4.275) 6.790 16.661 ( 2.149 -5.422 3.242) 6.673 16.787 ( 0.737 -3.716 -0.726) 3.858 17.546 ( -1.244 -15.100 1.623) 15.238 17.581 ( -1.069 -16.833 1.515) 16.935 17.772 ( 0.777 -17.899 0.852) 17.936 17.799 ( -0.822 -18.761 0.208) 18.780 ======================= Grid point 92 (36/72) ======================= q-point: ( 0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 11.576 14.061 5.316) 18.973 2.006 ( 9.226 14.577 7.236) 18.708 2.176 ( -5.390 11.696 0.381) 12.884 2.336 ( -15.819 8.824 2.613) 18.301 2.485 ( 5.247 11.197 -8.053) 14.757 2.610 ( -4.865 8.129 -9.227) 13.225 2.677 ( 7.851 8.227 -10.264) 15.319 2.865 ( -5.766 6.841 -9.064) 12.736 2.954 ( 7.328 4.337 9.631) 12.855 3.121 ( -4.536 2.027 6.980) 8.568 3.303 ( 0.805 10.806 3.710) 11.454 3.341 ( -2.430 13.073 5.018) 14.213 3.453 ( 6.803 15.797 -1.586) 17.272 3.508 ( 1.254 20.533 0.444) 20.576 3.628 ( 3.423 17.994 -0.054) 18.317 3.724 ( -2.866 13.314 0.271) 13.622 3.760 ( 0.778 18.175 6.920) 19.463 3.801 ( 0.562 19.053 5.712) 19.899 3.880 ( 0.664 18.989 -1.419) 19.053 3.958 ( -3.261 11.362 -3.363) 12.290 4.094 ( -0.198 10.668 0.155) 10.670 4.241 ( -7.648 11.782 -5.462) 15.071 4.273 ( 4.304 23.521 2.960) 24.094 4.320 ( 2.787 21.510 1.493) 21.741 4.427 ( -2.988 21.424 -2.828) 21.816 4.485 ( -9.141 23.598 -1.597) 25.357 4.616 ( 5.912 23.302 -9.926) 26.009 4.769 ( -7.908 17.819 -8.932) 21.444 5.173 ( 6.259 4.139 4.961) 8.995 5.247 ( 1.052 2.065 5.591) 6.052 5.301 ( 6.248 -4.724 -1.184) 7.922 5.384 ( -1.179 -5.293 -0.642) 5.460 5.465 ( -1.465 -4.293 4.005) 6.051 5.520 ( -5.499 -2.232 2.931) 6.619 5.852 ( 3.007 -7.304 -0.256) 7.903 5.910 ( -2.179 -5.999 -1.714) 6.608 6.722 ( 5.913 3.577 2.919) 7.502 6.848 ( -4.634 3.269 1.962) 6.000 6.915 ( 6.760 -4.195 -1.890) 8.177 7.074 ( -6.588 -3.989 -4.181) 8.764 8.393 ( 1.498 -5.333 0.708) 5.585 8.438 ( -2.903 -6.378 -0.548) 7.029 8.623 ( 3.352 -4.102 -0.133) 5.299 8.669 ( -0.996 -3.858 -0.246) 3.992 9.263 ( 5.870 1.610 -0.304) 6.094 9.309 ( 2.650 5.179 -2.263) 6.242 9.573 ( -2.578 5.143 -0.615) 5.786 9.594 ( -3.576 8.038 -1.286) 8.891 10.298 ( 3.214 6.812 6.511) 9.956 10.371 ( -2.536 9.010 4.798) 10.518 10.574 ( 10.037 4.788 0.847) 11.153 10.714 ( 4.090 8.866 2.869) 10.176 10.758 ( -3.486 -0.972 -1.698) 3.997 10.839 ( -4.411 5.967 2.108) 7.714 10.889 ( 8.209 4.716 0.833) 9.504 11.006 ( -0.901 8.311 -2.161) 8.634 11.144 ( 3.449 4.630 -4.554) 7.353 11.167 ( 2.038 4.928 -5.000) 7.310 11.608 ( -2.878 1.191 -1.050) 3.287 11.643 ( -5.664 2.862 -1.535) 6.529 11.914 ( 7.779 9.386 2.114) 12.373 11.994 ( 2.022 8.538 1.079) 8.840 12.136 ( -5.932 -3.802 0.251) 7.050 12.156 ( -8.528 -3.812 0.405) 9.349 12.513 ( 5.559 4.403 0.550) 7.112 12.629 ( 3.975 7.010 -4.826) 9.393 12.726 ( -9.356 6.950 -0.837) 11.685 12.827 ( -11.768 8.122 -2.268) 14.477 13.032 ( 0.364 8.331 6.098) 10.331 13.074 ( -4.784 6.800 3.786) 9.135 13.870 ( 6.598 -1.867 0.582) 6.881 13.922 ( 3.125 2.581 -1.586) 4.352 14.099 ( 0.093 -13.989 2.444) 14.201 14.187 ( -6.986 -9.839 -1.081) 12.115 14.524 ( 0.750 -13.486 -2.490) 13.735 14.533 ( 0.004 -12.925 -2.546) 13.174 16.514 ( 3.415 -6.542 -0.911) 7.436 16.554 ( -0.165 -5.992 -2.428) 6.467 16.719 ( 3.330 -5.135 2.272) 6.528 16.778 ( -1.926 -4.672 0.825) 5.120 17.531 ( 0.051 -15.688 0.496) 15.696 17.550 ( -1.619 -16.243 0.373) 16.327 17.784 ( 0.329 -17.190 0.450) 17.199 17.788 ( -0.206 -17.507 0.450) 17.514 ======================= Grid point 95 (37/72) ======================= q-point: ( 0.00 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 0.000 16.758 2.741) 16.981 2.163 ( 0.000 15.991 -0.310) 15.994 2.437 ( 0.000 11.986 0.023) 11.986 2.627 ( 0.000 10.309 -7.763) 12.905 2.664 ( 0.000 2.634 7.255) 7.718 2.711 ( 0.000 4.211 -1.137) 4.362 2.816 ( 0.000 4.751 0.362) 4.764 2.913 ( 0.000 7.654 -6.066) 9.766 3.083 ( 0.000 3.555 -10.883) 11.448 3.175 ( 0.000 8.021 -9.135) 12.156 3.330 ( 0.000 1.359 9.378) 9.476 3.511 ( 0.000 -1.056 8.043) 8.112 3.748 ( 0.000 11.898 11.803) 16.759 3.784 ( 0.000 7.961 -3.617) 8.744 3.873 ( 0.000 -0.642 12.156) 12.173 3.981 ( 0.000 10.308 3.081) 10.759 4.030 ( 0.000 10.408 -3.301) 10.918 4.176 ( 0.000 25.463 3.323) 25.679 4.298 ( 0.000 12.437 1.324) 12.507 4.367 ( 0.000 12.352 -5.301) 13.442 4.481 ( 0.000 14.759 -2.345) 14.944 4.560 ( 0.000 13.978 -5.546) 15.038 4.639 ( 0.000 1.480 -7.876) 8.014 4.795 ( 0.000 20.202 -8.069) 21.754 4.797 ( 0.000 20.617 6.258) 21.546 4.954 ( 0.000 4.701 7.047) 8.471 5.010 ( 0.000 8.545 -1.994) 8.774 5.076 ( 0.000 3.056 -0.997) 3.215 5.126 ( 0.000 11.601 -1.842) 11.747 5.183 ( 0.000 5.759 -3.735) 6.864 5.242 ( 0.000 16.233 2.261) 16.390 5.304 ( 0.000 24.045 -0.989) 24.066 5.621 ( 0.000 3.841 5.194) 6.460 5.745 ( 0.000 9.236 3.539) 9.891 5.765 ( 0.000 3.181 -2.459) 4.021 5.911 ( 0.000 1.357 -2.025) 2.438 6.670 ( 0.000 2.220 0.310) 2.241 6.687 ( 0.000 3.723 -0.274) 3.733 7.029 ( 0.000 -0.929 2.517) 2.683 7.157 ( 0.000 2.597 -2.409) 3.542 8.282 ( 0.000 -2.193 1.823) 2.852 8.384 ( 0.000 -8.412 6.111) 10.397 8.460 ( 0.000 -2.430 -5.685) 6.183 8.613 ( 0.000 -6.566 -1.094) 6.657 9.089 ( 0.000 4.874 0.616) 4.913 9.149 ( 0.000 5.586 -1.514) 5.788 9.829 ( 0.000 2.247 0.432) 2.288 9.850 ( 0.000 3.513 -0.662) 3.575 10.256 ( 0.000 -5.881 4.297) 7.284 10.339 ( 0.000 2.528 -1.354) 2.868 10.425 ( 0.000 3.409 7.559) 8.293 10.556 ( 0.000 -0.432 0.052) 0.435 10.694 ( 0.000 -5.209 -3.297) 6.165 10.794 ( 0.000 -5.720 2.057) 6.079 11.006 ( 0.000 2.415 -1.739) 2.976 11.019 ( 0.000 9.993 -7.677) 12.601 11.209 ( 0.000 9.404 -7.735) 12.176 11.226 ( 0.000 12.814 -2.694) 13.094 11.956 ( 0.000 18.418 4.033) 18.854 12.034 ( 0.000 6.481 3.671) 7.449 12.078 ( 0.000 10.321 4.437) 11.234 12.183 ( 0.000 10.788 -2.770) 11.138 12.350 ( 0.000 -3.123 8.158) 8.735 12.421 ( 0.000 -0.250 3.254) 3.263 12.593 ( 0.000 6.331 -1.668) 6.547 12.813 ( 0.000 3.940 -5.341) 6.637 12.933 ( 0.000 -2.402 -0.894) 2.563 13.092 ( 0.000 4.082 0.628) 4.130 13.106 ( 0.000 0.479 5.433) 5.454 13.198 ( 0.000 -6.722 -6.199) 9.144 13.639 ( 0.000 -5.841 2.678) 6.425 13.724 ( 0.000 -1.854 -0.938) 2.078 13.917 ( 0.000 -8.180 7.930) 11.393 14.196 ( 0.000 -14.912 -3.477) 15.312 14.302 ( 0.000 -6.423 -5.099) 8.201 14.318 ( 0.000 -4.873 -5.247) 7.160 16.261 ( 0.000 -6.693 -0.127) 6.694 16.421 ( 0.000 -3.618 -7.222) 8.078 16.553 ( 0.000 -3.044 5.744) 6.501 16.726 ( 0.000 -1.769 0.627) 1.876 17.252 ( 0.000 -15.727 3.242) 16.058 17.279 ( 0.000 -13.277 1.808) 13.400 17.390 ( 0.000 -17.441 -0.323) 17.444 17.436 ( 0.000 -16.832 -1.571) 16.905 ======================= Grid point 96 (38/72) ======================= q-point: ( 0.20 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( 3.283 15.885 3.137) 16.521 2.206 ( 3.654 15.128 0.816) 15.584 2.424 ( -0.578 10.137 -2.380) 10.429 2.631 ( -0.382 7.076 -3.936) 8.106 2.688 ( -1.101 2.197 0.570) 2.522 2.720 ( -1.155 6.013 -1.306) 6.260 2.775 ( 0.975 8.204 1.026) 8.326 2.944 ( 3.222 8.899 -2.448) 9.776 3.082 ( 0.144 4.369 -7.131) 8.364 3.208 ( -0.101 5.588 -8.003) 9.761 3.321 ( 1.306 0.938 6.356) 6.556 3.500 ( -1.570 -0.217 5.446) 5.672 3.674 ( -2.417 6.739 8.463) 11.085 3.740 ( -4.120 6.891 0.326) 8.035 3.891 ( 1.988 3.938 6.354) 7.735 3.984 ( -4.359 6.554 -4.165) 8.905 4.072 ( 3.697 11.791 3.862) 12.946 4.163 ( -0.746 19.124 5.484) 19.909 4.227 ( -1.890 18.982 3.890) 19.469 4.403 ( -2.511 12.935 -4.240) 13.841 4.458 ( -7.899 7.793 -0.970) 11.138 4.520 ( 2.267 13.268 -8.166) 15.743 4.572 ( -0.464 12.790 -3.221) 13.198 4.812 ( -0.492 25.485 4.651) 25.911 4.814 ( 0.963 18.303 -7.954) 19.980 4.984 ( -0.361 13.287 -2.268) 13.484 4.996 ( 4.123 4.235 3.774) 7.013 5.114 ( 1.892 4.347 -0.114) 4.743 5.186 ( 1.777 11.581 -1.548) 11.819 5.224 ( 5.531 2.932 -3.739) 7.292 5.246 ( 1.098 14.538 3.080) 14.901 5.368 ( 4.829 19.824 -0.863) 20.422 5.572 ( -4.341 5.753 3.587) 8.050 5.704 ( -4.384 9.204 0.218) 10.197 5.737 ( -1.308 2.437 1.412) 3.106 5.888 ( -2.346 0.732 -1.595) 2.930 6.713 ( 3.506 4.182 0.362) 5.469 6.737 ( 4.957 0.758 -0.570) 5.047 6.993 ( -3.138 1.015 2.776) 4.311 7.130 ( -2.892 1.206 -2.480) 3.996 8.291 ( 0.518 -2.938 1.871) 3.521 8.358 ( -2.000 -6.941 3.680) 8.107 8.483 ( 2.129 -2.890 -2.818) 4.564 8.597 ( -0.686 -4.981 -1.502) 5.247 9.153 ( 5.625 3.286 1.522) 6.690 9.263 ( 9.166 4.778 -2.624) 10.664 9.743 ( -7.215 1.476 0.691) 7.396 9.816 ( -3.451 4.743 -2.156) 6.249 10.276 ( 2.328 -2.365 5.410) 6.347 10.423 ( 7.799 0.434 -0.082) 7.811 10.478 ( 2.648 3.557 5.325) 6.929 10.603 ( 5.935 -2.628 1.610) 6.687 10.710 ( 1.767 -4.294 -1.771) 4.970 10.868 ( 5.781 -2.597 1.581) 6.532 10.978 ( -1.703 4.511 -3.312) 5.850 11.082 ( 5.784 9.243 -5.190) 12.076 11.223 ( 1.265 8.111 -6.915) 10.733 11.255 ( 2.459 11.303 -4.445) 12.393 11.853 ( -14.365 1.861 3.913) 15.005 11.947 ( -11.611 6.091 0.562) 13.123 12.028 ( 5.913 15.978 2.599) 17.234 12.185 ( 0.188 12.244 -2.127) 12.429 12.253 ( -9.971 -4.002 7.453) 13.076 12.333 ( -8.640 -0.782 3.452) 9.337 12.571 ( -1.152 5.057 -0.394) 5.202 12.751 ( -0.667 7.478 -5.126) 9.090 12.939 ( -1.246 0.948 1.875) 2.443 13.114 ( 1.360 5.021 -0.937) 5.286 13.169 ( 1.997 4.993 4.224) 6.838 13.285 ( 4.278 0.531 -4.775) 6.433 13.596 ( -4.320 -5.407 4.667) 8.347 13.678 ( 3.039 -10.033 1.182) 10.550 13.936 ( -0.675 -8.539 4.154) 9.520 14.139 ( -5.175 -12.888 -3.058) 14.221 14.304 ( 0.052 -7.355 -5.043) 8.918 14.318 ( -0.051 -5.947 -5.033) 7.791 16.299 ( 3.402 -6.465 -0.607) 7.331 16.430 ( 0.559 -4.597 -5.751) 7.384 16.575 ( 2.129 -3.124 4.707) 6.038 16.724 ( -0.414 -2.565 1.012) 2.788 17.239 ( -1.074 -14.876 2.414) 15.109 17.264 ( -1.216 -13.964 2.013) 14.161 17.415 ( 1.862 -16.690 -0.575) 16.803 17.437 ( 0.227 -16.321 -1.191) 16.366 ======================= Grid point 97 (39/72) ======================= q-point: ( 0.40 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 7.389 12.089 3.593) 14.617 2.287 ( 3.544 12.758 2.558) 13.486 2.397 ( -2.083 9.898 -2.511) 10.422 2.488 ( -10.233 6.515 0.446) 12.139 2.701 ( 3.571 8.581 -2.003) 9.508 2.766 ( 1.370 7.297 -2.639) 7.880 2.814 ( 4.114 5.609 -7.054) 9.907 2.983 ( -6.807 5.331 -7.955) 11.749 3.061 ( 4.447 6.949 5.203) 9.754 3.170 ( -3.403 3.719 3.403) 6.082 3.391 ( 4.486 1.110 2.346) 5.183 3.466 ( -2.135 1.802 -0.594) 2.856 3.664 ( 2.570 4.486 2.919) 5.937 3.746 ( 3.611 5.469 1.413) 6.704 3.841 ( -7.399 2.514 -0.457) 7.828 3.888 ( -4.204 4.656 -0.013) 6.273 4.074 ( 2.577 10.085 4.455) 11.323 4.183 ( -4.961 12.321 -1.160) 13.332 4.244 ( 5.329 15.991 5.719) 17.799 4.336 ( -1.163 17.523 2.565) 17.747 4.348 ( -2.476 15.752 1.068) 15.982 4.427 ( -5.939 20.140 -2.782) 21.181 4.688 ( 6.000 11.829 -7.233) 15.108 4.779 ( -2.894 15.184 -6.508) 16.772 4.873 ( 4.891 24.757 1.622) 25.288 4.972 ( -2.914 16.720 0.752) 16.988 5.051 ( 2.483 14.682 -0.019) 14.890 5.113 ( -2.267 11.916 0.511) 12.140 5.241 ( 3.354 3.279 0.655) 4.736 5.283 ( 0.376 2.913 1.895) 3.495 5.329 ( 5.944 9.206 -2.240) 11.185 5.441 ( -1.886 10.862 -2.163) 11.235 5.497 ( 1.207 11.994 2.161) 12.247 5.590 ( -5.808 10.915 -1.047) 12.409 5.747 ( 2.480 0.815 1.940) 3.252 5.820 ( -4.003 -0.187 -0.374) 4.025 6.798 ( 4.481 3.490 0.876) 5.747 6.850 ( 3.196 -1.522 -1.357) 3.791 6.932 ( -0.264 4.150 2.336) 4.769 7.035 ( -6.169 0.359 -1.795) 6.435 8.298 ( 0.506 -3.859 1.763) 4.272 8.320 ( -1.594 -5.037 2.010) 5.653 8.541 ( 3.123 -3.551 -0.907) 4.815 8.586 ( -1.069 -4.076 -1.294) 4.408 9.291 ( 7.493 2.139 1.311) 7.902 9.401 ( 0.339 4.404 -2.759) 5.208 9.626 ( -0.455 1.601 0.282) 1.689 9.717 ( -5.943 4.964 -3.077) 8.333 10.353 ( 4.922 -0.227 6.740) 8.349 10.454 ( -4.077 -0.037 6.421) 7.606 10.626 ( 9.780 0.483 -2.749) 10.170 10.717 ( 3.737 -2.225 -1.941) 4.763 10.817 ( 4.189 1.184 2.230) 4.891 10.907 ( -2.545 0.497 1.889) 3.208 11.020 ( 8.483 6.868 0.143) 10.916 11.186 ( -1.708 9.122 -0.185) 9.283 11.269 ( 4.212 5.119 -9.154) 11.303 11.295 ( 1.167 8.083 -5.479) 9.834 11.613 ( -5.125 -0.111 -0.143) 5.128 11.687 ( -10.902 1.120 -2.167) 11.172 12.023 ( -7.459 -4.528 5.061) 10.087 12.072 ( -9.271 -2.189 1.779) 9.691 12.164 ( 2.989 10.443 1.144) 10.922 12.209 ( -0.874 9.908 -0.586) 9.964 12.638 ( 8.456 7.180 2.352) 11.340 12.793 ( 1.570 8.419 -3.269) 9.167 12.872 ( -4.027 6.760 2.518) 8.262 12.985 ( -10.705 5.866 -2.019) 12.373 13.225 ( 2.906 9.760 3.824) 10.878 13.275 ( -2.299 13.142 1.855) 13.470 13.677 ( 8.666 -14.287 3.742) 17.124 13.788 ( 3.761 -14.524 1.561) 15.084 13.880 ( -1.695 -8.341 0.155) 8.513 14.002 ( -7.953 -11.147 -2.447) 13.911 14.306 ( 0.200 -7.402 -4.855) 8.854 14.313 ( -0.423 -7.095 -4.812) 8.583 16.376 ( 3.573 -6.361 -1.634) 7.477 16.427 ( -1.225 -6.033 -3.214) 6.944 16.635 ( 3.476 -3.363 3.075) 5.732 16.698 ( -2.331 -3.446 1.955) 4.596 17.223 ( -0.212 -14.247 1.383) 14.316 17.236 ( -1.342 -14.254 1.380) 14.383 17.444 ( 0.824 -15.739 -0.575) 15.771 17.448 ( 0.508 -15.491 -0.568) 15.509 ======================= Grid point 100 (40/72) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 0.000 12.531 0.372) 12.536 2.445 ( 0.000 12.005 -3.563) 12.522 2.637 ( 0.000 6.996 2.720) 7.506 2.719 ( 0.000 1.559 -1.691) 2.300 2.730 ( 0.000 4.248 4.845) 6.444 2.839 ( 0.000 3.610 -2.746) 4.536 2.943 ( 0.000 9.545 -1.605) 9.679 3.061 ( 0.000 6.009 -8.264) 10.218 3.194 ( 0.000 7.759 -3.718) 8.604 3.293 ( 0.000 1.295 7.450) 7.562 3.396 ( 0.000 7.719 -7.097) 10.486 3.466 ( 0.000 -2.649 6.076) 6.628 3.805 ( 0.000 -2.821 8.314) 8.779 3.871 ( 0.000 -0.029 1.654) 1.654 3.881 ( 0.000 2.338 12.300) 12.520 4.030 ( 0.000 -2.905 -7.335) 7.890 4.152 ( 0.000 2.224 -0.925) 2.408 4.424 ( 0.000 0.817 -2.556) 2.683 4.442 ( 0.000 -3.160 -6.489) 7.218 4.466 ( 0.000 0.435 6.402) 6.416 4.626 ( 0.000 0.626 -8.230) 8.254 4.668 ( 0.000 1.734 -0.493) 1.803 4.804 ( 0.000 13.910 6.370) 15.299 5.017 ( 0.000 -4.157 0.086) 4.158 5.039 ( 0.000 4.452 -4.694) 6.470 5.053 ( 0.000 2.927 2.294) 3.719 5.234 ( 0.000 17.766 -7.792) 19.399 5.269 ( 0.000 18.794 -4.204) 19.259 5.437 ( 0.000 17.834 9.039) 19.995 5.461 ( 0.000 15.321 4.323) 15.919 5.592 ( 0.000 18.834 2.596) 19.012 5.762 ( 0.000 18.749 -3.138) 19.009 5.844 ( 0.000 17.371 2.095) 17.496 5.937 ( 0.000 11.835 -3.608) 12.373 6.043 ( 0.000 17.917 -0.389) 17.922 6.057 ( 0.000 13.197 -0.263) 13.199 6.721 ( 0.000 2.835 -0.289) 2.850 6.759 ( 0.000 3.163 -1.692) 3.587 7.044 ( 0.000 1.818 4.345) 4.710 7.210 ( 0.000 2.058 -1.989) 2.862 8.256 ( 0.000 -3.780 4.523) 5.894 8.259 ( 0.000 0.121 3.426) 3.428 8.414 ( 0.000 -2.842 -3.346) 4.390 8.506 ( 0.000 -2.863 -3.436) 4.472 9.205 ( 0.000 6.498 1.871) 6.762 9.278 ( 0.000 7.046 -0.739) 7.085 9.831 ( 0.000 -1.698 1.037) 1.989 9.877 ( 0.000 -0.702 -0.836) 1.092 10.193 ( 0.000 0.549 4.445) 4.478 10.423 ( 0.000 4.605 -5.098) 6.870 10.464 ( 0.000 -0.406 2.815) 2.844 10.515 ( 0.000 -1.689 2.105) 2.699 10.589 ( 0.000 -3.237 -3.159) 4.523 10.685 ( 0.000 -4.446 1.182) 4.601 11.064 ( 0.000 3.407 -1.356) 3.666 11.211 ( 0.000 6.591 -13.217) 14.769 11.362 ( 0.000 6.578 0.321) 6.586 11.497 ( 0.000 13.265 -3.409) 13.696 12.009 ( 0.000 -7.352 10.434) 12.764 12.203 ( 0.000 0.262 2.890) 2.902 12.213 ( 0.000 3.293 -0.612) 3.349 12.336 ( 0.000 2.460 13.822) 14.039 12.349 ( 0.000 7.042 -0.220) 7.046 12.421 ( 0.000 -1.276 3.059) 3.315 12.688 ( 0.000 -15.293 -0.315) 15.296 12.731 ( 0.000 5.859 -5.383) 7.956 12.857 ( 0.000 -4.218 -4.034) 5.836 12.938 ( 0.000 -0.922 -7.291) 7.349 13.165 ( 0.000 5.363 6.043) 8.080 13.232 ( 0.000 -7.611 6.323) 9.895 13.644 ( 0.000 7.395 -1.472) 7.540 13.683 ( 0.000 -3.387 -3.375) 4.781 13.843 ( 0.000 1.577 1.958) 2.515 13.893 ( 0.000 -12.505 0.398) 12.511 14.159 ( 0.000 -8.031 -4.452) 9.182 14.255 ( 0.000 -2.322 -6.076) 6.505 16.164 ( 0.000 -2.590 0.411) 2.623 16.366 ( 0.000 -1.801 -8.721) 8.905 16.511 ( 0.000 -1.363 6.400) 6.544 16.700 ( 0.000 -1.205 2.029) 2.360 16.960 ( 0.000 -12.865 3.298) 13.281 17.032 ( 0.000 -11.111 1.321) 11.189 17.094 ( 0.000 -11.124 -0.143) 11.125 17.162 ( 0.000 -9.844 -2.393) 10.131 ======================= Grid point 101 (41/72) ======================= q-point: ( 0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( 1.678 12.294 0.556) 12.420 2.468 ( 2.265 10.914 -3.232) 11.606 2.604 ( -1.851 7.341 1.007) 7.637 2.704 ( -3.287 1.478 -0.997) 3.739 2.744 ( 1.492 3.308 4.373) 5.683 2.828 ( 0.302 4.479 -2.140) 4.974 2.945 ( -0.398 6.841 -2.202) 7.197 3.100 ( 3.013 5.241 -7.405) 9.559 3.200 ( 0.384 7.787 -0.860) 7.844 3.320 ( 2.820 1.277 4.736) 5.658 3.356 ( -3.663 7.103 -5.167) 9.517 3.490 ( 1.242 0.373 3.951) 4.158 3.716 ( -3.166 -0.244 7.779) 8.402 3.792 ( -4.088 -0.821 3.082) 5.185 3.942 ( 1.211 1.215 4.223) 4.558 4.010 ( -4.792 -1.639 -3.365) 6.081 4.175 ( 1.472 -0.189 1.232) 1.929 4.347 ( -5.778 -0.165 7.335) 9.339 4.434 ( -0.580 3.289 -2.077) 3.933 4.513 ( 6.088 -3.517 -7.966) 10.625 4.609 ( 1.562 6.019 -4.530) 7.693 4.711 ( -0.911 5.412 0.785) 5.544 4.817 ( 1.114 8.303 0.158) 8.379 5.045 ( -1.011 7.853 -0.359) 7.926 5.079 ( 1.926 2.227 -1.622) 3.361 5.085 ( 5.243 -3.233 -1.037) 6.246 5.206 ( -0.484 12.864 -1.454) 12.955 5.266 ( 1.153 15.591 -3.712) 16.068 5.420 ( -0.784 18.553 4.515) 19.110 5.479 ( 0.568 12.664 5.714) 13.905 5.571 ( -1.944 17.677 1.342) 17.834 5.772 ( -4.461 15.422 -4.043) 16.556 5.815 ( 2.580 18.298 2.563) 18.656 5.952 ( 0.612 17.060 -2.461) 17.248 6.015 ( -1.210 17.690 -0.465) 17.738 6.054 ( -1.094 15.844 -0.269) 15.884 6.761 ( 3.704 2.081 -0.502) 4.278 6.795 ( 3.208 3.466 -1.656) 5.004 7.030 ( -1.354 2.185 4.107) 4.845 7.171 ( -3.751 1.972 -1.366) 4.452 8.250 ( -0.520 -2.716 3.956) 4.826 8.256 ( -0.312 -0.953 2.384) 2.587 8.435 ( 1.985 -2.359 -2.039) 3.697 8.515 ( 0.686 -2.456 -3.125) 4.033 9.249 ( 4.304 6.277 2.451) 7.996 9.371 ( 8.048 5.877 -1.849) 10.136 9.767 ( -5.811 1.290 1.631) 6.172 9.879 ( -0.719 1.369 -2.435) 2.884 10.237 ( 3.958 -0.571 5.316) 6.652 10.459 ( 3.637 3.220 -3.712) 6.113 10.493 ( -0.578 -1.585 4.683) 4.978 10.530 ( 4.478 -4.007 -0.427) 6.024 10.643 ( 6.495 -1.935 -2.234) 7.136 10.772 ( 6.805 -5.497 0.582) 8.767 11.069 ( 0.755 4.460 -1.483) 4.760 11.239 ( 2.619 2.872 -13.307) 13.863 11.351 ( -0.865 6.744 2.546) 7.260 11.512 ( 0.701 12.583 -4.203) 13.285 11.811 ( -14.497 -5.320 5.758) 16.481 11.975 ( -15.550 -2.571 -0.995) 15.792 12.208 ( -9.646 -0.430 11.386) 14.929 12.280 ( 2.518 7.207 0.333) 7.642 12.302 ( -10.583 -0.988 2.948) 11.030 12.388 ( -0.519 6.746 -0.844) 6.819 12.657 ( 1.231 1.399 1.555) 2.427 12.844 ( 4.196 -6.302 0.310) 7.577 12.915 ( 5.975 3.035 -6.280) 9.184 12.996 ( 4.046 -6.056 -1.666) 7.472 13.187 ( 5.331 -5.826 6.884) 10.476 13.364 ( 7.933 2.208 4.396) 9.334 13.578 ( -6.360 0.408 -0.770) 6.420 13.623 ( -3.376 5.947 -2.856) 7.411 13.815 ( -3.413 -0.812 1.094) 3.675 13.844 ( -4.363 -13.366 -0.140) 14.061 14.163 ( 0.518 -7.557 -4.853) 8.996 14.245 ( -1.063 -2.870 -6.053) 6.783 16.204 ( 3.521 -2.611 -0.445) 4.406 16.358 ( -0.794 -2.347 -6.458) 6.917 16.525 ( 1.458 -2.092 4.696) 5.344 16.676 ( -2.092 -2.730 1.667) 3.822 16.966 ( 0.428 -11.694 3.045) 12.092 17.030 ( -0.821 -8.739 3.444) 9.429 17.119 ( 2.482 -12.257 -2.045) 12.672 17.170 ( 0.822 -9.696 -1.896) 9.913 ======================= Grid point 102 (42/72) ======================= q-point: ( 0.40 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 3.533 9.765 1.465) 10.487 2.512 ( 0.292 9.426 -0.382) 9.438 2.570 ( -1.086 6.980 -1.681) 7.261 2.608 ( -4.191 5.757 -1.921) 7.375 2.800 ( 4.356 2.230 2.627) 5.554 2.887 ( 1.735 3.760 1.505) 4.406 2.910 ( 0.442 3.814 -4.879) 6.208 3.056 ( -7.699 1.583 -5.780) 9.756 3.235 ( 3.304 8.863 0.012) 9.459 3.294 ( -2.284 6.753 -0.847) 7.179 3.414 ( 5.452 3.264 2.514) 6.833 3.490 ( -1.517 2.324 0.819) 2.893 3.709 ( 2.016 0.575 3.892) 4.421 3.771 ( 1.071 -1.586 3.052) 3.603 3.874 ( -5.609 1.583 -0.566) 5.856 3.909 ( -4.027 -0.723 1.644) 4.409 4.180 ( 0.971 0.976 4.088) 4.313 4.240 ( -4.428 -1.123 3.109) 5.526 4.505 ( 5.952 7.788 3.313) 10.347 4.608 ( -1.264 5.387 -1.546) 5.746 4.654 ( 2.210 4.616 -7.440) 9.030 4.668 ( 0.088 0.899 -3.445) 3.562 4.838 ( 2.187 7.161 -3.980) 8.479 4.942 ( -6.898 9.402 -1.423) 11.747 5.130 ( 2.472 4.405 -0.024) 5.051 5.154 ( 0.791 5.139 -0.212) 5.204 5.262 ( 4.316 5.369 1.878) 7.140 5.318 ( 0.733 1.567 1.627) 2.375 5.423 ( 2.565 16.680 3.391) 17.214 5.493 ( -1.671 14.786 1.082) 14.920 5.522 ( 1.188 15.205 0.440) 15.258 5.642 ( -7.398 12.138 -3.036) 14.535 5.883 ( 3.349 21.306 0.937) 21.588 5.941 ( -1.939 21.057 -0.693) 21.157 6.011 ( 0.532 19.161 -0.948) 19.192 6.027 ( -1.097 18.129 -0.759) 18.178 6.846 ( 3.640 1.525 -1.167) 4.116 6.864 ( 2.459 2.785 -2.024) 4.231 7.006 ( 0.132 2.937 3.510) 4.578 7.073 ( -5.273 2.383 0.527) 5.811 8.243 ( -0.068 -1.808 2.450) 3.045 8.247 ( -0.443 -1.525 2.005) 2.558 8.485 ( 2.496 -2.162 -1.143) 3.494 8.519 ( -0.645 -2.370 -1.981) 3.155 9.373 ( 7.580 6.215 2.236) 10.054 9.503 ( -0.717 5.950 -2.105) 6.352 9.673 ( 1.901 3.316 1.142) 3.989 9.806 ( -6.578 3.919 -3.382) 8.371 10.334 ( 5.140 -0.793 5.539) 7.598 10.431 ( -4.095 -0.967 4.466) 6.136 10.606 ( 8.537 -2.603 -2.459) 9.257 10.656 ( 5.774 -3.720 -1.974) 7.147 10.792 ( 4.656 -3.676 0.673) 5.970 10.857 ( -0.545 -4.836 1.890) 5.221 11.121 ( 5.353 2.033 -2.972) 6.451 11.249 ( -3.816 -4.511 -6.585) 8.847 11.375 ( 2.618 4.693 1.081) 5.481 11.471 ( -2.559 10.511 -2.825) 11.180 11.617 ( -3.459 -1.096 -2.118) 4.202 11.694 ( -8.620 1.838 -4.238) 9.780 11.997 ( -7.486 3.154 8.309) 11.620 12.040 ( -11.373 0.453 4.581) 12.269 12.334 ( 2.036 4.848 -2.376) 5.769 12.366 ( -1.296 4.931 -2.884) 5.858 12.754 ( 8.053 2.733 4.388) 9.569 12.912 ( -4.188 -0.233 2.579) 4.924 12.954 ( 4.142 1.570 0.931) 4.526 13.029 ( -2.964 -1.942 2.221) 4.182 13.331 ( 7.938 -4.516 3.351) 9.727 13.462 ( -3.367 -0.220 -0.346) 3.392 13.523 ( 4.987 6.090 1.491) 8.011 13.592 ( 1.553 -1.344 0.073) 2.055 13.705 ( -5.635 -5.976 -0.734) 8.246 13.740 ( -5.655 -9.882 -0.780) 11.413 14.182 ( 1.365 -6.139 -5.506) 8.359 14.215 ( -1.697 -4.318 -5.904) 7.509 16.280 ( 3.395 -2.854 -2.083) 4.900 16.333 ( -1.812 -2.991 -3.710) 5.098 16.569 ( 2.705 -3.566 2.863) 5.313 16.626 ( -2.709 -4.102 1.857) 5.255 16.977 ( 0.782 -9.546 2.858) 9.995 17.002 ( -1.606 -8.323 3.166) 9.048 17.170 ( 1.916 -11.094 -1.759) 11.395 17.186 ( 0.299 -10.135 -1.460) 10.244 ======================= Grid point 105 (43/72) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( 0.000 9.822 -0.474) 9.833 2.638 ( 0.000 6.291 -1.216) 6.408 2.740 ( 0.000 0.848 0.607) 1.043 2.744 ( 0.000 5.361 0.494) 5.383 2.822 ( 0.000 4.234 -0.338) 4.247 2.874 ( 0.000 0.764 -3.700) 3.778 3.088 ( 0.000 2.111 -1.648) 2.678 3.118 ( 0.000 -1.447 -3.764) 4.033 3.338 ( 0.000 5.477 8.644) 10.233 3.360 ( 0.000 6.977 -0.853) 7.029 3.470 ( 0.000 5.341 3.673) 6.482 3.553 ( 0.000 6.108 -5.257) 8.059 3.741 ( 0.000 -3.448 11.061) 11.585 3.855 ( 0.000 -0.978 -2.670) 2.843 3.867 ( 0.000 -3.398 2.097) 3.994 3.959 ( 0.000 -2.923 -2.892) 4.111 4.147 ( 0.000 -1.560 -1.692) 2.302 4.311 ( 0.000 -6.815 -4.726) 8.293 4.375 ( 0.000 -6.421 4.625) 7.913 4.393 ( 0.000 -3.937 0.568) 3.978 4.637 ( 0.000 0.113 -5.383) 5.384 4.639 ( 0.000 -2.330 -1.542) 2.794 4.882 ( 0.000 -7.052 2.651) 7.534 4.932 ( 0.000 -3.265 -1.517) 3.600 5.146 ( 0.000 8.893 1.464) 9.013 5.182 ( 0.000 7.389 1.950) 7.642 5.551 ( 0.000 12.665 -5.161) 13.676 5.595 ( 0.000 12.241 -6.514) 13.866 5.717 ( 0.000 11.060 7.455) 13.338 5.734 ( 0.000 11.086 6.067) 12.638 6.008 ( 0.000 18.894 4.582) 19.441 6.085 ( 0.000 13.278 -1.051) 13.320 6.171 ( 0.000 10.073 -3.464) 10.652 6.172 ( 0.000 12.956 -1.921) 13.098 6.346 ( 0.000 13.246 -1.187) 13.299 6.385 ( 0.000 14.295 -1.545) 14.378 6.783 ( 0.000 3.038 -0.053) 3.039 6.809 ( 0.000 1.760 -1.641) 2.406 7.081 ( 0.000 1.652 3.607) 3.967 7.221 ( 0.000 -1.162 -1.388) 1.811 8.238 ( 0.000 1.629 1.651) 2.319 8.290 ( 0.000 2.811 4.167) 5.026 8.353 ( 0.000 -2.363 -2.497) 3.438 8.486 ( 0.000 -0.466 -3.175) 3.209 9.349 ( 0.000 7.715 2.301) 8.050 9.423 ( 0.000 7.057 -0.476) 7.073 9.773 ( 0.000 -3.865 0.793) 3.945 9.820 ( 0.000 -4.909 -0.994) 5.009 10.261 ( 0.000 4.512 2.289) 5.060 10.427 ( 0.000 -2.976 -4.902) 5.734 10.441 ( 0.000 1.110 0.813) 1.376 10.525 ( 0.000 2.003 5.252) 5.621 10.573 ( 0.000 -2.039 -1.186) 2.359 10.720 ( 0.000 10.320 -1.819) 10.479 11.154 ( 0.000 5.778 0.197) 5.782 11.196 ( 0.000 -7.479 -6.200) 9.715 11.524 ( 0.000 7.616 0.768) 7.655 11.725 ( 0.000 6.641 -6.671) 9.413 11.835 ( 0.000 -7.199 7.714) 10.551 12.036 ( 0.000 -16.793 -0.808) 16.812 12.147 ( 0.000 -3.901 3.339) 5.135 12.259 ( 0.000 -8.367 -2.632) 8.771 12.399 ( 0.000 2.708 12.928) 13.208 12.410 ( 0.000 -1.495 3.199) 3.531 12.664 ( 0.000 7.654 1.972) 7.904 12.705 ( 0.000 -5.894 -5.363) 7.969 12.868 ( 0.000 3.078 -2.663) 4.070 12.876 ( 0.000 -7.329 6.445) 9.760 13.082 ( 0.000 -2.600 -2.817) 3.833 13.279 ( 0.000 3.026 -3.914) 4.947 13.515 ( 0.000 -7.990 1.502) 8.130 13.753 ( 0.000 2.796 -3.552) 4.521 13.817 ( 0.000 1.974 2.319) 3.045 13.915 ( 0.000 -1.499 -4.588) 4.827 14.019 ( 0.000 -0.891 1.505) 1.749 14.200 ( 0.000 -3.321 -4.945) 5.957 16.158 ( 0.000 1.829 0.657) 1.943 16.341 ( 0.000 -1.003 -7.039) 7.110 16.490 ( 0.000 -0.806 4.758) 4.826 16.630 ( 0.000 -6.589 1.321) 6.720 16.782 ( 0.000 -3.716 -0.031) 3.717 16.847 ( 0.000 -6.730 -1.243) 6.844 16.948 ( 0.000 -3.581 3.261) 4.843 17.026 ( 0.000 -4.320 -0.076) 4.320 ======================= Grid point 106 (44/72) ======================= q-point: ( 0.20 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( 0.715 9.378 -0.663) 9.428 2.641 ( 1.170 5.816 -1.276) 6.068 2.721 ( -2.896 1.543 1.638) 3.668 2.733 ( -0.280 5.398 -0.877) 5.476 2.813 ( -0.451 3.316 -0.847) 3.452 2.885 ( 1.624 1.310 -1.638) 2.653 3.038 ( -3.946 1.891 -3.242) 5.445 3.110 ( -1.757 -3.603 -4.711) 6.186 3.338 ( 1.035 2.557 6.728) 7.272 3.386 ( 0.566 8.438 1.630) 8.612 3.507 ( 1.814 6.432 3.178) 7.400 3.555 ( 1.329 5.005 -3.091) 6.031 3.716 ( -1.562 -1.504 7.260) 7.577 3.742 ( -2.637 -0.208 2.151) 3.409 3.949 ( -1.293 -2.557 -0.323) 2.883 3.965 ( 1.115 -0.410 -0.912) 1.497 4.143 ( 0.174 -1.553 -0.489) 1.637 4.268 ( -5.523 -5.247 2.995) 8.186 4.369 ( 4.550 -7.502 -5.262) 10.231 4.455 ( 4.197 -3.938 -1.798) 6.030 4.617 ( 0.364 -1.161 -2.003) 2.344 4.713 ( 2.230 -1.314 -2.593) 3.663 4.882 ( -0.727 -4.466 -0.197) 4.529 4.961 ( 3.371 -6.882 -0.865) 7.712 5.182 ( 3.363 8.204 1.649) 9.019 5.200 ( 1.940 7.508 1.324) 7.867 5.482 ( -5.614 12.182 0.843) 13.440 5.534 ( -4.861 10.520 -1.431) 11.677 5.733 ( 0.694 11.776 2.431) 12.044 5.741 ( 0.828 11.714 1.371) 11.823 5.922 ( -5.152 15.099 2.697) 16.180 6.035 ( -7.081 10.573 -2.155) 12.906 6.180 ( 5.626 15.994 0.490) 16.962 6.275 ( 4.085 13.174 -2.461) 14.011 6.350 ( 0.501 14.426 -1.061) 14.474 6.389 ( -0.001 14.404 -0.947) 14.435 6.813 ( 3.096 2.779 -0.075) 4.161 6.853 ( 3.675 2.127 -1.922) 4.661 7.068 ( -1.250 1.569 3.322) 3.881 7.186 ( -3.230 -0.627 -0.979) 3.433 8.238 ( 0.045 1.785 1.566) 2.375 8.274 ( -1.079 2.201 2.528) 3.522 8.387 ( 2.677 -2.038 -1.046) 3.523 8.489 ( 0.064 -1.112 -2.707) 2.927 9.402 ( 4.991 8.591 2.482) 10.241 9.499 ( 6.937 6.698 -0.949) 9.689 9.785 ( 0.157 -0.135 1.155) 1.173 9.864 ( 3.381 -2.959 -1.753) 4.823 10.272 ( 1.397 3.434 3.975) 5.436 10.430 ( -0.166 -3.033 -0.925) 3.176 10.466 ( 2.483 -1.011 -0.279) 2.696 10.536 ( 1.859 1.252 -1.001) 2.455 10.639 ( 3.136 0.604 -1.186) 3.407 10.693 ( 0.797 0.954 1.741) 2.139 11.130 ( -4.808 -6.735 -4.087) 9.230 11.188 ( 0.535 1.863 -1.663) 2.554 11.479 ( -5.311 0.661 1.828) 5.656 11.653 ( -5.894 0.629 -1.733) 6.175 11.791 ( -0.217 7.928 -1.108) 8.008 11.910 ( -9.261 -2.943 -3.019) 10.176 12.134 ( -1.341 -8.240 6.803) 10.770 12.254 ( -5.828 -2.964 0.674) 6.573 12.353 ( -1.573 2.493 3.470) 4.553 12.463 ( 0.236 -1.829 2.136) 2.822 12.603 ( 0.672 -1.599 0.040) 1.735 12.759 ( 2.072 -4.573 2.509) 5.612 12.828 ( 3.289 -3.267 -0.012) 4.636 12.969 ( -1.560 -8.451 7.106) 11.151 13.096 ( 7.716 4.922 -4.684) 10.282 13.401 ( 6.043 -5.783 -6.435) 10.553 13.517 ( 2.423 0.691 3.668) 4.450 13.692 ( -5.874 3.358 -0.746) 6.806 13.743 ( -6.739 1.073 2.070) 7.131 13.903 ( -1.402 2.683 -4.850) 5.718 14.008 ( -0.288 -5.082 -0.315) 5.100 14.177 ( -2.198 -3.821 -5.107) 6.746 16.194 ( 3.140 1.417 -0.326) 3.461 16.331 ( -0.943 -0.701 -5.683) 5.803 16.482 ( -0.534 -2.140 3.763) 4.362 16.589 ( -3.229 -5.911 0.571) 6.759 16.801 ( 2.122 -4.116 1.115) 4.763 16.909 ( 4.101 -5.100 0.590) 6.571 16.939 ( -0.485 -4.012 1.578) 4.338 17.033 ( 0.501 -4.470 -0.174) 4.502 ======================= Grid point 107 (45/72) ======================= q-point: ( 0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( 0.307 7.490 -0.082) 7.497 2.654 ( -2.692 4.296 1.154) 5.200 2.689 ( 2.844 5.354 -2.319) 6.491 2.729 ( -0.717 5.886 -3.231) 6.753 2.827 ( 2.492 1.081 1.365) 3.040 2.910 ( -3.331 -0.726 1.566) 3.752 2.968 ( 1.575 1.313 -4.851) 5.267 3.048 ( -4.078 -2.210 -5.654) 7.313 3.350 ( 0.460 1.379 3.511) 3.800 3.370 ( -1.495 4.665 4.709) 6.795 3.563 ( 2.888 6.704 0.951) 7.361 3.588 ( 0.875 3.928 -0.928) 4.130 3.699 ( 1.540 -0.734 5.792) 6.038 3.745 ( -0.084 3.236 4.024) 5.165 3.910 ( -1.885 1.580 1.350) 2.806 3.920 ( -3.277 2.380 -0.206) 4.056 4.161 ( 1.268 -1.928 0.702) 2.412 4.191 ( -2.045 -2.933 2.166) 4.180 4.479 ( 4.997 -9.659 -8.181) 13.608 4.527 ( 1.275 -8.128 -6.535) 10.507 4.633 ( 1.756 0.804 0.672) 2.045 4.697 ( -3.331 0.189 2.637) 4.252 4.902 ( 3.588 -3.142 -5.045) 6.942 4.985 ( -2.549 -6.628 -4.686) 8.508 5.261 ( 4.548 7.724 2.950) 9.436 5.279 ( 4.859 8.382 2.030) 9.899 5.376 ( -3.990 8.308 5.057) 10.513 5.420 ( -5.974 7.665 3.153) 10.217 5.750 ( 1.854 13.263 -0.272) 13.395 5.780 ( 2.371 11.968 -0.792) 12.226 5.826 ( -3.265 13.013 0.919) 13.447 5.894 ( -6.415 10.817 -1.950) 12.727 6.279 ( 3.878 16.555 0.731) 17.019 6.326 ( -0.006 15.709 -0.515) 15.717 6.361 ( 0.920 14.425 -1.561) 14.538 6.381 ( -0.654 14.678 -0.950) 14.724 6.893 ( 3.967 2.868 -0.585) 4.930 6.926 ( 2.037 3.078 -2.217) 4.305 7.043 ( -0.061 0.725 2.687) 2.784 7.102 ( -4.555 0.242 0.210) 4.567 8.242 ( 0.365 1.915 1.467) 2.440 8.254 ( -0.831 1.946 1.632) 2.673 8.443 ( 2.521 -2.211 -0.731) 3.432 8.480 ( -1.057 -2.056 -1.578) 2.799 9.537 ( 7.713 9.615 2.074) 12.500 9.644 ( 2.370 7.770 -1.613) 8.282 9.761 ( 1.373 5.229 1.570) 5.629 9.876 ( -4.007 2.814 -2.440) 5.471 10.341 ( 5.002 1.408 4.806) 7.078 10.421 ( -1.595 -1.229 3.973) 4.454 10.533 ( 3.918 -3.022 -2.703) 5.638 10.590 ( 5.054 -1.747 -1.525) 5.561 10.663 ( -0.566 -8.083 2.148) 8.383 10.740 ( -1.442 -6.695 1.636) 7.042 11.038 ( -1.307 -10.873 -5.569) 12.286 11.107 ( -7.443 -8.249 -5.243) 12.286 11.435 ( 4.861 3.792 4.136) 7.424 11.590 ( -5.760 1.404 -0.849) 5.989 11.719 ( -0.648 12.715 -2.315) 12.940 11.809 ( -4.022 7.528 -6.413) 10.676 12.079 ( -3.087 0.870 6.010) 6.812 12.092 ( -5.150 3.973 6.515) 9.206 12.358 ( 1.235 -0.585 -5.123) 5.302 12.401 ( -3.164 -0.981 -5.100) 6.081 12.702 ( 6.228 -6.555 5.338) 10.500 12.814 ( -2.687 -6.968 7.357) 10.484 12.863 ( 4.004 -9.230 1.874) 10.234 12.937 ( -1.532 -6.574 4.590) 8.163 13.294 ( 10.102 2.584 -1.158) 10.492 13.423 ( -1.305 -3.240 -4.231) 5.486 13.561 ( -5.212 0.174 0.731) 5.266 13.577 ( -7.658 -0.764 1.261) 7.798 13.668 ( 8.844 6.435 1.144) 10.997 13.826 ( -6.193 6.842 -1.201) 9.306 14.041 ( 3.231 -7.600 -4.667) 9.486 14.115 ( -3.675 -5.386 -5.352) 8.436 16.261 ( 2.929 0.789 -2.157) 3.722 16.306 ( -1.567 0.139 -3.689) 4.010 16.484 ( 0.976 -4.653 2.131) 5.210 16.524 ( -2.828 -5.699 0.733) 6.404 16.855 ( 2.791 -2.579 2.699) 4.661 16.905 ( -1.983 -1.716 3.746) 4.572 16.997 ( 3.113 -6.255 -1.539) 7.155 17.035 ( -0.668 -5.241 -0.733) 5.334 ======================= Grid point 110 (46/72) ======================= q-point: ( 0.00 0.47 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( 0.000 1.674 1.971) 2.586 2.723 ( 0.000 0.480 0.780) 0.916 2.811 ( 0.000 6.382 0.797) 6.432 2.835 ( 0.000 2.221 -2.353) 3.235 2.887 ( 0.000 1.715 -4.321) 4.649 2.924 ( 0.000 6.322 -3.004) 7.000 3.012 ( 0.000 -7.603 -1.683) 7.787 3.045 ( 0.000 -4.860 -1.939) 5.233 3.484 ( 0.000 6.668 7.967) 10.389 3.484 ( 0.000 5.427 3.776) 6.611 3.606 ( 0.000 -0.577 2.227) 2.301 3.627 ( 0.000 4.657 2.743) 5.405 3.667 ( 0.000 -0.887 5.833) 5.900 3.778 ( 0.000 -5.000 -4.210) 6.536 3.853 ( 0.000 1.074 -4.322) 4.453 3.902 ( 0.000 -3.233 -3.231) 4.571 4.137 ( 0.000 1.342 -1.448) 1.974 4.196 ( 0.000 -4.275 -3.538) 5.549 4.274 ( 0.000 -2.334 2.302) 3.278 4.300 ( 0.000 -4.190 1.166) 4.349 4.623 ( 0.000 0.901 -0.650) 1.111 4.645 ( 0.000 -0.001 -2.155) 2.155 4.776 ( 0.000 -1.970 0.990) 2.205 4.825 ( 0.000 -5.346 -1.810) 5.644 5.285 ( 0.000 3.854 2.093) 4.386 5.293 ( 0.000 2.901 1.949) 3.495 5.731 ( 0.000 5.029 -4.411) 6.689 5.750 ( 0.000 3.257 -5.309) 6.229 5.880 ( 0.000 4.519 6.862) 8.216 5.888 ( 0.000 3.792 6.448) 7.480 6.280 ( 0.000 5.676 -1.087) 5.779 6.288 ( 0.000 8.235 2.718) 8.672 6.308 ( 0.000 2.982 -3.193) 4.369 6.338 ( 0.000 3.160 -1.287) 3.412 6.550 ( 0.000 6.339 -2.466) 6.802 6.578 ( 0.000 4.160 -2.608) 4.910 6.829 ( 0.000 1.198 0.931) 1.517 6.832 ( 0.000 0.588 0.366) 0.693 7.118 ( 0.000 2.230 0.917) 2.412 7.174 ( 0.000 -3.025 -0.851) 3.142 8.289 ( 0.000 2.407 0.762) 2.524 8.322 ( 0.000 -1.153 -0.723) 1.361 8.367 ( 0.000 4.583 1.187) 4.734 8.452 ( 0.000 -3.223 -1.712) 3.649 9.513 ( 0.000 8.203 1.038) 8.269 9.555 ( 0.000 5.672 -0.733) 5.719 9.680 ( 0.000 -5.007 0.266) 5.014 9.690 ( 0.000 -7.312 0.014) 7.312 10.319 ( 0.000 1.997 -0.784) 2.146 10.367 ( 0.000 -2.733 -2.771) 3.892 10.501 ( 0.000 2.163 0.520) 2.225 10.534 ( 0.000 -1.545 0.329) 1.580 10.654 ( 0.000 11.941 6.868) 13.775 10.916 ( 0.000 -7.343 -1.027) 7.415 11.051 ( 0.000 9.846 1.621) 9.978 11.272 ( 0.000 2.223 -1.120) 2.489 11.519 ( 0.000 -15.055 -1.161) 15.100 11.530 ( 0.000 -6.371 1.706) 6.596 11.855 ( 0.000 8.417 -1.294) 8.516 11.985 ( 0.000 3.141 -4.353) 5.368 12.083 ( 0.000 -7.691 0.655) 7.719 12.085 ( 0.000 -2.155 2.608) 3.383 12.365 ( 0.000 -1.209 -0.022) 1.209 12.400 ( 0.000 -3.054 3.380) 4.555 12.641 ( 0.000 1.226 3.584) 3.788 12.724 ( 0.000 -6.083 9.841) 11.569 12.813 ( 0.000 6.148 1.497) 6.328 12.891 ( 0.000 -1.204 -0.751) 1.419 13.094 ( 0.000 2.632 -6.129) 6.670 13.192 ( 0.000 -7.066 -6.595) 9.665 13.544 ( 0.000 7.085 0.510) 7.104 13.706 ( 0.000 -7.835 -5.693) 9.685 13.862 ( 0.000 0.877 0.891) 1.250 13.864 ( 0.000 1.529 0.857) 1.753 14.076 ( 0.000 2.675 0.121) 2.678 14.130 ( 0.000 -3.162 -1.988) 3.735 16.224 ( 0.000 4.223 0.010) 4.223 16.305 ( 0.000 -3.106 -2.622) 4.065 16.480 ( 0.000 -0.017 1.177) 1.177 16.510 ( 0.000 -3.746 -0.701) 3.811 16.749 ( 0.000 -0.492 -1.680) 1.750 16.762 ( 0.000 -2.039 -2.004) 2.859 16.928 ( 0.000 0.900 4.210) 4.305 16.963 ( 0.000 -2.329 2.374) 3.325 ======================= Grid point 111 (47/72) ======================= q-point: ( 0.20 0.47 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( 0.140 1.529 2.145) 2.638 2.718 ( -0.541 -0.061 1.599) 1.689 2.810 ( -0.551 7.129 -0.228) 7.154 2.846 ( 0.625 3.537 -1.670) 3.960 2.876 ( -1.132 1.938 -4.354) 4.899 2.909 ( -0.478 3.744 -3.683) 5.274 2.992 ( -2.043 -7.212 -2.891) 8.034 3.010 ( -3.004 -4.141 -4.093) 6.552 3.424 ( -2.308 5.450 7.139) 9.274 3.496 ( -1.290 0.951 8.214) 8.368 3.595 ( -1.147 -0.019 3.683) 3.858 3.603 ( -3.833 -0.608 5.826) 7.000 3.691 ( 4.669 5.525 0.528) 7.253 3.809 ( 3.358 -1.659 -1.568) 4.060 3.891 ( 2.976 1.873 -2.563) 4.351 3.957 ( 3.205 -1.731 -3.226) 4.866 4.148 ( 0.793 1.861 -1.245) 2.376 4.193 ( -1.431 -1.696 -2.899) 3.651 4.238 ( -0.468 -3.478 -1.332) 3.753 4.315 ( 0.901 -7.719 -1.594) 7.933 4.648 ( 2.313 3.322 -0.170) 4.051 4.702 ( 3.151 -0.153 -2.434) 3.984 4.771 ( -0.250 -3.552 0.881) 3.668 4.823 ( 0.156 -6.198 -1.456) 6.368 5.312 ( 2.676 3.605 2.002) 4.916 5.316 ( 2.419 3.126 1.781) 4.336 5.658 ( -6.173 4.924 0.630) 7.922 5.675 ( -6.144 3.192 -0.026) 6.924 5.900 ( 1.509 4.370 1.759) 4.947 5.903 ( 1.055 4.058 1.430) 4.430 6.141 ( -6.821 6.319 0.365) 9.305 6.175 ( -7.190 2.825 -1.229) 7.822 6.419 ( 5.988 7.030 -0.104) 9.235 6.451 ( 5.433 3.842 -1.443) 6.809 6.565 ( 1.036 6.342 -1.676) 6.641 6.586 ( 0.468 4.544 -1.538) 4.820 6.860 ( 3.263 1.629 0.557) 3.690 6.876 ( 3.875 0.111 -0.297) 3.888 7.102 ( -1.640 2.046 0.799) 2.742 7.151 ( -2.243 -2.509 -0.755) 3.449 8.295 ( 0.545 2.875 0.784) 3.029 8.329 ( 0.231 1.165 -0.769) 1.415 8.364 ( 0.255 1.506 1.257) 1.978 8.442 ( -0.929 -3.693 -1.463) 4.079 9.586 ( 6.543 9.261 1.356) 11.420 9.634 ( 7.255 6.435 -0.520) 9.711 9.745 ( 5.828 -3.906 0.141) 7.017 9.759 ( 6.317 -7.229 -0.320) 9.606 10.319 ( -0.169 1.664 -0.247) 1.690 10.370 ( -0.265 -3.036 -2.654) 4.041 10.526 ( 2.213 1.754 1.679) 3.285 10.549 ( 0.885 2.048 0.898) 2.404 10.626 ( -1.822 4.911 5.214) 7.391 10.837 ( -6.226 -1.674 -2.187) 6.808 10.916 ( -10.792 0.470 2.808) 11.161 11.157 ( -12.883 -11.079 -2.714) 17.207 11.473 ( 4.136 7.281 3.082) 8.923 11.678 ( 5.729 -8.050 -3.703) 10.552 11.827 ( -1.987 4.285 0.497) 4.750 11.936 ( -4.053 -0.798 -3.209) 5.231 12.069 ( 2.319 4.339 2.859) 5.691 12.178 ( 2.708 -3.889 -3.166) 5.700 12.350 ( -1.066 -2.869 0.135) 3.064 12.382 ( -1.626 -3.667 1.467) 4.271 12.606 ( -1.998 2.555 3.078) 4.471 12.697 ( -1.581 -4.884 6.466) 8.256 12.773 ( -3.231 2.403 3.887) 5.596 12.861 ( -2.869 -4.464 3.053) 6.122 13.181 ( 7.445 3.293 -4.986) 9.546 13.255 ( 5.395 -5.103 -5.092) 9.004 13.616 ( 6.459 6.335 -0.123) 9.048 13.735 ( -0.533 -2.019 -3.889) 4.414 13.777 ( -7.601 1.288 1.005) 7.775 13.804 ( -2.198 -4.053 -0.424) 4.630 14.041 ( -3.480 2.953 -0.203) 4.569 14.101 ( -2.931 -3.385 -2.435) 5.096 16.248 ( 2.190 3.437 -0.539) 4.111 16.309 ( 0.547 -2.013 -2.577) 3.315 16.450 ( -2.533 -0.519 0.913) 2.742 16.480 ( -2.685 -3.743 -0.852) 4.684 16.775 ( 2.993 0.745 -0.518) 3.127 16.817 ( 4.045 -3.326 -1.659) 5.493 16.929 ( -0.149 1.237 3.918) 4.111 16.967 ( 0.153 -2.455 2.021) 3.183 ======================= Grid point 112 (48/72) ======================= q-point: ( 0.40 0.47 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( 0.904 2.101 1.557) 2.767 2.734 ( 2.694 1.140 0.749) 3.019 2.767 ( -2.526 4.322 -0.087) 5.007 2.827 ( -3.691 1.062 -1.481) 4.116 2.871 ( 0.849 3.807 -3.160) 5.020 2.894 ( -1.746 1.371 -2.600) 3.419 2.949 ( 0.808 -2.886 -5.674) 6.416 2.977 ( -1.327 -4.560 -5.267) 7.092 3.409 ( 1.080 4.554 7.435) 8.786 3.457 ( -2.733 3.888 7.988) 9.294 3.530 ( -0.944 -5.014 6.954) 8.625 3.560 ( -2.757 -4.217 5.632) 7.557 3.811 ( 6.613 7.699 0.696) 10.172 3.893 ( 2.302 4.404 -1.186) 5.109 3.934 ( 0.399 1.390 0.358) 1.490 3.970 ( -1.102 1.514 -0.457) 1.927 4.156 ( -0.260 1.034 -1.288) 1.672 4.158 ( -0.575 3.557 -2.356) 4.305 4.278 ( 2.862 -9.290 -6.072) 11.461 4.320 ( -0.843 -10.530 -5.058) 11.712 4.690 ( 1.559 4.291 -0.195) 4.570 4.715 ( -1.030 2.666 -0.148) 2.862 4.792 ( 2.091 -5.860 -2.808) 6.826 4.826 ( -0.660 -7.561 -2.340) 7.942 5.391 ( 5.246 3.892 2.742) 7.084 5.400 ( 5.662 3.020 2.402) 6.852 5.519 ( -6.880 4.419 3.563) 8.920 5.535 ( -7.128 2.813 2.962) 8.215 5.935 ( 2.553 4.919 -0.717) 5.588 5.945 ( 3.188 3.986 -1.007) 5.203 6.016 ( -5.154 5.452 -0.036) 7.502 6.040 ( -5.842 3.167 -1.123) 6.739 6.520 ( 3.723 6.774 -0.084) 7.730 6.540 ( 3.033 4.906 -0.840) 5.828 6.571 ( -0.776 5.964 -0.768) 6.063 6.583 ( -0.903 4.899 -0.618) 5.020 6.948 ( 4.750 2.297 -0.074) 5.277 6.971 ( 4.654 0.636 -1.067) 4.817 7.050 ( -3.098 0.797 0.651) 3.264 7.084 ( -4.214 -1.809 -0.527) 4.616 8.307 ( 0.625 3.916 0.714) 4.030 8.321 ( -0.707 4.443 0.256) 4.506 8.387 ( 1.594 -3.360 0.191) 3.724 8.418 ( -1.387 -4.200 -0.722) 4.481 9.740 ( 7.474 9.614 1.005) 12.218 9.797 ( 5.787 6.304 -1.103) 8.628 9.852 ( 3.078 2.129 0.346) 3.759 9.887 ( 3.324 -2.951 -0.797) 4.516 10.347 ( 4.807 -0.840 2.558) 5.509 10.366 ( 1.724 -2.524 0.955) 3.202 10.510 ( -5.034 -3.222 5.655) 8.228 10.542 ( -6.346 -0.149 2.662) 6.883 10.603 ( 2.043 0.373 0.602) 2.162 10.680 ( -7.190 7.114 -2.586) 10.440 10.787 ( 0.768 -12.152 -2.686) 12.469 10.892 ( -10.022 -11.883 -3.783) 15.999 11.586 ( 6.041 10.754 1.793) 12.464 11.697 ( -4.053 7.977 -1.730) 9.114 11.825 ( 2.070 -8.356 0.348) 8.616 11.869 ( -2.390 -3.075 -1.231) 4.085 12.121 ( 2.380 8.619 -0.197) 8.944 12.168 ( -2.347 7.082 -2.172) 7.770 12.338 ( -0.348 -5.612 -3.861) 6.821 12.346 ( -1.412 -5.382 -3.304) 6.471 12.612 ( 2.775 0.711 4.460) 5.301 12.691 ( -3.706 -1.884 7.493) 8.569 12.707 ( 1.919 -5.598 4.272) 7.299 12.784 ( -4.352 -7.557 5.397) 10.256 13.362 ( 9.777 2.923 -2.035) 10.406 13.392 ( 7.800 -0.401 -2.653) 8.248 13.583 ( -9.783 0.872 0.456) 9.833 13.587 ( -9.574 0.513 -0.105) 9.588 13.779 ( 8.275 4.948 -0.639) 9.663 13.887 ( 5.809 -5.399 -4.139) 8.946 13.938 ( -6.218 2.849 -0.403) 6.851 14.013 ( -5.516 -4.398 -3.161) 7.730 16.300 ( 2.605 2.712 -1.427) 4.022 16.326 ( 0.591 1.195 -2.446) 2.786 16.399 ( -1.645 -3.018 0.395) 3.460 16.418 ( -2.866 -4.149 -0.813) 5.108 16.850 ( 3.740 1.467 1.357) 4.241 16.897 ( 2.555 -2.199 -0.057) 3.371 16.913 ( -0.737 0.258 2.584) 2.700 16.955 ( -1.540 -2.943 1.031) 3.478 ======================= Grid point 150 (49/72) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 0.000 0.000 -25.501) 25.501 1.209 ( 0.000 0.000 25.501) 25.501 1.214 ( 0.000 0.000 -23.821) 23.821 1.214 ( 0.000 0.000 23.821) 23.821 2.146 ( 0.000 0.000 -37.267) 37.267 2.146 ( 0.000 0.000 37.267) 37.267 2.169 ( 0.000 0.000 -5.334) 5.334 2.169 ( 0.000 0.000 5.334) 5.334 2.550 ( 0.000 0.000 -1.618) 1.618 2.550 ( 0.000 0.000 1.618) 1.618 2.627 ( 0.000 0.000 -11.171) 11.171 2.627 ( 0.000 0.000 11.171) 11.171 2.755 ( 0.000 0.000 -6.488) 6.488 2.755 ( 0.000 0.000 6.488) 6.488 2.808 ( 0.000 0.000 -8.464) 8.464 2.808 ( 0.000 0.000 8.464) 8.464 2.848 ( 0.000 0.000 -14.228) 14.228 2.848 ( 0.000 0.000 14.228) 14.228 2.901 ( 0.000 0.000 -0.789) 0.789 2.901 ( 0.000 0.000 0.789) 0.789 3.209 ( 0.000 0.000 -3.037) 3.037 3.209 ( 0.000 0.000 3.037) 3.037 4.018 ( 0.000 0.000 -13.545) 13.545 4.018 ( 0.000 0.000 13.545) 13.545 4.317 ( 0.000 0.000 -10.885) 10.885 4.317 ( 0.000 0.000 10.885) 10.885 4.789 ( 0.000 0.000 -17.652) 17.652 4.789 ( 0.000 0.000 17.652) 17.652 5.180 ( 0.000 0.000 -3.333) 3.333 5.180 ( 0.000 0.000 3.333) 3.333 5.383 ( 0.000 0.000 -10.191) 10.191 5.383 ( 0.000 0.000 10.191) 10.191 5.875 ( 0.000 0.000 -4.709) 4.709 5.875 ( 0.000 0.000 4.709) 4.709 5.967 ( 0.000 0.000 -0.670) 0.670 5.967 ( 0.000 0.000 0.670) 0.670 6.616 ( 0.000 0.000 -4.493) 4.493 6.616 ( 0.000 0.000 4.493) 4.493 7.497 ( 0.000 0.000 -4.671) 4.671 7.497 ( 0.000 0.000 4.671) 4.671 8.448 ( 0.000 0.000 -10.437) 10.437 8.448 ( 0.000 0.000 10.437) 10.437 8.702 ( 0.000 0.000 -11.932) 11.932 8.702 ( 0.000 0.000 11.932) 11.932 8.808 ( 0.000 0.000 -10.017) 10.017 8.808 ( 0.000 0.000 10.017) 10.017 9.129 ( 0.000 0.000 -0.263) 0.263 9.129 ( 0.000 0.000 0.263) 0.263 9.465 ( 0.000 0.000 -4.048) 4.048 9.465 ( 0.000 0.000 4.048) 4.048 10.361 ( 0.000 0.000 -2.497) 2.497 10.361 ( 0.000 0.000 2.497) 2.497 10.415 ( 0.000 0.000 -6.402) 6.402 10.415 ( 0.000 0.000 6.402) 6.402 10.883 ( 0.000 0.000 -1.187) 1.187 10.883 ( 0.000 0.000 1.187) 1.187 10.942 ( 0.000 0.000 -13.602) 13.602 10.942 ( 0.000 0.000 13.602) 13.602 11.473 ( 0.000 0.000 -9.898) 9.898 11.473 ( 0.000 0.000 9.898) 9.898 11.739 ( 0.000 0.000 -1.312) 1.312 11.739 ( 0.000 0.000 1.312) 1.312 12.017 ( 0.000 0.000 -1.383) 1.383 12.017 ( 0.000 0.000 1.383) 1.383 12.795 ( 0.000 0.000 -0.165) 0.165 12.795 ( 0.000 0.000 0.165) 0.165 12.832 ( 0.000 0.000 -0.009) 0.009 12.832 ( 0.000 0.000 0.009) 0.009 13.303 ( 0.000 0.000 -9.558) 9.558 13.303 ( 0.000 0.000 9.558) 9.558 13.610 ( 0.000 0.000 -0.507) 0.507 13.610 ( 0.000 0.000 0.507) 0.507 14.524 ( 0.000 0.000 -0.057) 0.057 14.524 ( 0.000 0.000 0.057) 0.057 14.957 ( 0.000 0.000 -4.157) 4.157 14.957 ( 0.000 0.000 4.157) 4.157 16.518 ( 0.000 0.000 -0.960) 0.960 16.518 ( 0.000 0.000 0.960) 0.960 16.883 ( 0.000 0.000 -1.356) 1.356 16.883 ( 0.000 0.000 1.356) 1.356 18.229 ( 0.000 0.000 -5.812) 5.812 18.229 ( 0.000 0.000 5.812) 5.812 18.669 ( 0.000 0.000 -2.831) 2.831 18.669 ( 0.000 0.000 2.831) 2.831 ======================= Grid point 152 (50/72) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 9.370 0.000 -20.849) 22.858 1.315 ( 9.370 0.000 20.849) 22.858 1.359 ( 13.349 0.000 -21.379) 25.205 1.359 ( 13.349 0.000 21.379) 25.205 2.075 ( -8.581 0.000 -6.390) 10.699 2.075 ( -8.581 0.000 6.390) 10.699 2.267 ( 9.241 0.000 -26.271) 27.849 2.267 ( 9.241 0.000 26.271) 27.849 2.435 ( -11.615 0.000 -13.310) 17.665 2.435 ( -11.615 0.000 13.310) 17.665 2.572 ( 1.804 0.000 -1.440) 2.308 2.572 ( 1.804 0.000 1.440) 2.308 2.725 ( -2.204 0.000 -3.928) 4.505 2.725 ( -2.204 0.000 3.928) 4.505 2.949 ( 7.893 0.000 -8.161) 11.354 2.949 ( 7.893 0.000 8.161) 11.354 2.951 ( 3.910 0.000 -1.980) 4.382 2.951 ( 3.910 0.000 1.980) 4.382 2.972 ( 11.756 0.000 -6.988) 13.677 2.972 ( 11.756 0.000 6.988) 13.677 3.194 ( -1.472 0.000 -2.866) 3.222 3.194 ( -1.472 0.000 2.866) 3.222 3.884 ( -10.688 0.000 -13.096) 16.904 3.884 ( -10.688 0.000 13.096) 16.904 4.265 ( -7.285 0.000 -15.603) 17.220 4.265 ( -7.285 0.000 15.603) 17.220 4.565 ( -14.607 0.000 -16.544) 22.069 4.565 ( -14.607 0.000 16.544) 22.069 5.260 ( 2.204 0.000 -6.238) 6.616 5.260 ( 2.204 0.000 6.238) 6.616 5.493 ( 9.684 0.000 -8.225) 12.705 5.493 ( 9.684 0.000 8.225) 12.705 5.827 ( -4.247 0.000 -1.483) 4.499 5.827 ( -4.247 0.000 1.483) 4.499 6.030 ( 5.474 0.000 -1.719) 5.737 6.030 ( 5.474 0.000 1.719) 5.737 6.642 ( 3.315 0.000 -7.088) 7.825 6.642 ( 3.315 0.000 7.088) 7.825 7.448 ( -4.837 0.000 -5.204) 7.104 7.448 ( -4.837 0.000 5.204) 7.104 8.464 ( 1.556 0.000 -10.144) 10.262 8.464 ( 1.556 0.000 10.144) 10.262 8.743 ( -5.358 0.000 -9.401) 10.821 8.743 ( -5.358 0.000 9.401) 10.821 8.756 ( 3.888 0.000 -7.690) 8.617 8.756 ( 3.888 0.000 7.690) 8.617 9.088 ( -3.010 0.000 -3.639) 4.722 9.088 ( -3.010 0.000 3.639) 4.722 9.554 ( 7.464 0.000 -3.219) 8.129 9.554 ( 7.464 0.000 3.219) 8.129 10.308 ( -4.805 0.000 -2.415) 5.378 10.308 ( -4.805 0.000 2.415) 5.378 10.523 ( 9.433 0.000 -4.710) 10.544 10.523 ( 9.433 0.000 4.710) 10.544 10.896 ( 1.049 0.000 -0.925) 1.399 10.896 ( 1.049 0.000 0.925) 1.399 10.912 ( -2.449 0.000 -9.804) 10.105 10.912 ( -2.449 0.000 9.804) 10.105 11.583 ( 10.257 0.000 -7.775) 12.871 11.583 ( 10.257 0.000 7.775) 12.871 11.741 ( 0.092 0.000 -1.062) 1.066 11.741 ( 0.092 0.000 1.062) 1.066 12.110 ( 7.317 0.000 -3.475) 8.100 12.110 ( 7.317 0.000 3.475) 8.100 12.795 ( -0.043 0.000 -0.133) 0.140 12.795 ( -0.043 0.000 0.133) 0.140 12.832 ( -0.003 0.000 -0.010) 0.011 12.832 ( -0.003 0.000 0.010) 0.011 13.094 ( -19.966 0.000 -7.161) 21.211 13.094 ( -19.966 0.000 7.161) 21.211 13.526 ( -4.897 0.000 -1.369) 5.085 13.526 ( -4.897 0.000 1.369) 5.085 14.512 ( -1.271 0.000 -1.590) 2.036 14.512 ( -1.271 0.000 1.590) 2.036 14.977 ( 1.561 0.000 -3.364) 3.708 14.977 ( 1.561 0.000 3.364) 3.708 16.580 ( 5.533 0.000 -2.720) 6.166 16.580 ( 5.533 0.000 2.720) 6.166 16.920 ( 2.534 0.000 -2.888) 3.842 16.920 ( 2.534 0.000 2.888) 3.842 18.215 ( -1.372 0.000 -5.222) 5.399 18.215 ( -1.372 0.000 5.222) 5.399 18.580 ( -6.746 0.000 -1.250) 6.861 18.580 ( -6.746 0.000 1.250) 6.861 ======================= Grid point 154 (51/72) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 12.830 0.000 -14.368) 19.263 1.554 ( 12.830 0.000 14.368) 19.263 1.681 ( 16.770 0.000 -15.349) 22.734 1.681 ( 16.770 0.000 15.349) 22.734 1.853 ( -12.208 0.000 -9.148) 15.255 1.853 ( -12.208 0.000 9.148) 15.255 2.070 ( -16.653 0.000 -12.286) 20.694 2.070 ( -16.653 0.000 12.286) 20.694 2.608 ( 1.374 0.000 -0.818) 1.600 2.608 ( 1.374 0.000 0.818) 1.600 2.609 ( 14.127 0.000 -22.074) 26.208 2.609 ( 14.127 0.000 22.074) 26.208 2.685 ( -1.451 0.000 -1.203) 1.885 2.685 ( -1.451 0.000 1.203) 1.885 3.027 ( 2.838 0.000 -1.659) 3.288 3.027 ( 2.838 0.000 1.659) 3.288 3.045 ( -0.278 0.000 -8.766) 8.770 3.045 ( -0.278 0.000 8.766) 8.770 3.156 ( -1.774 0.000 -1.840) 2.556 3.156 ( -1.774 0.000 1.840) 2.556 3.221 ( 9.832 0.000 -10.371) 14.290 3.221 ( 9.832 0.000 10.371) 14.290 3.668 ( -8.162 0.000 -9.081) 12.210 3.668 ( -8.162 0.000 9.081) 12.210 4.073 ( -7.404 0.000 -9.306) 11.892 4.073 ( -7.404 0.000 9.306) 11.892 4.324 ( -7.858 0.000 -7.220) 10.671 4.324 ( -7.858 0.000 7.220) 10.671 5.286 ( 0.755 0.000 -4.845) 4.904 5.286 ( 0.755 0.000 4.845) 4.904 5.623 ( 1.792 0.000 -2.527) 3.098 5.623 ( 1.792 0.000 2.527) 3.098 5.774 ( -0.016 0.000 -0.147) 0.148 5.774 ( -0.016 0.000 0.147) 0.148 6.127 ( 2.882 0.000 -0.905) 3.021 6.127 ( 2.882 0.000 0.905) 3.021 6.739 ( 4.432 0.000 -5.376) 6.967 6.739 ( 4.432 0.000 5.376) 6.967 7.332 ( -4.725 0.000 -4.729) 6.685 7.332 ( -4.725 0.000 4.729) 6.685 8.508 ( 2.516 0.000 -7.757) 8.154 8.508 ( 2.516 0.000 7.757) 8.154 8.634 ( -4.382 0.000 -7.348) 8.555 8.634 ( -4.382 0.000 7.348) 8.555 8.797 ( 0.128 0.000 -1.951) 1.955 8.797 ( 0.128 0.000 1.951) 1.955 9.056 ( -0.074 0.000 -2.938) 2.939 9.056 ( -0.074 0.000 2.938) 2.939 9.703 ( 5.415 0.000 -1.566) 5.637 9.703 ( 5.415 0.000 1.566) 5.637 10.202 ( -4.164 0.000 -1.406) 4.395 10.202 ( -4.164 0.000 1.406) 4.395 10.721 ( 8.172 0.000 -1.427) 8.295 10.721 ( 8.172 0.000 1.427) 8.295 10.852 ( -3.588 0.000 -5.621) 6.668 10.852 ( -3.588 0.000 5.621) 6.668 10.915 ( 0.556 0.000 -0.336) 0.650 10.915 ( 0.556 0.000 0.336) 0.650 11.742 ( 0.057 0.000 -0.406) 0.410 11.742 ( 0.057 0.000 0.406) 0.410 11.862 ( 15.438 0.000 -5.753) 16.475 11.862 ( 15.438 0.000 5.753) 16.475 12.199 ( -2.013 0.000 -5.534) 5.888 12.199 ( -2.013 0.000 5.534) 5.888 12.664 ( -15.783 0.000 -3.261) 16.116 12.664 ( -15.783 0.000 3.261) 16.116 12.794 ( -0.027 0.000 -0.050) 0.057 12.794 ( -0.027 0.000 0.050) 0.057 12.832 ( -0.002 0.000 -0.005) 0.005 12.832 ( -0.002 0.000 0.005) 0.005 13.458 ( -1.767 0.000 -0.826) 1.951 13.458 ( -1.767 0.000 0.826) 1.951 14.484 ( -0.959 0.000 -0.654) 1.161 14.484 ( -0.959 0.000 0.654) 1.161 15.003 ( 0.719 0.000 -1.254) 1.446 15.003 ( 0.719 0.000 1.254) 1.446 16.699 ( 4.549 0.000 -2.226) 5.064 16.699 ( 4.549 0.000 2.226) 5.064 16.944 ( -0.205 0.000 -2.187) 2.197 16.944 ( -0.205 0.000 2.187) 2.197 18.181 ( -1.428 0.000 -2.236) 2.653 18.181 ( -1.428 0.000 2.236) 2.653 18.474 ( -2.753 0.000 -1.086) 2.959 18.474 ( -2.753 0.000 1.086) 2.959 ======================= Grid point 160 (52/72) ======================= q-point: ( 0.00 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 0.000 9.604 -21.898) 23.912 1.311 ( 0.000 9.604 21.898) 23.912 1.416 ( 0.000 16.299 -21.625) 27.080 1.416 ( 0.000 16.299 21.625) 27.080 2.275 ( 0.000 16.220 -13.151) 20.881 2.275 ( 0.000 16.220 13.151) 20.881 2.413 ( 0.000 17.329 -3.736) 17.728 2.413 ( 0.000 17.329 3.736) 17.728 2.626 ( 0.000 4.089 -3.502) 5.384 2.626 ( 0.000 4.089 3.502) 5.384 2.661 ( 0.000 6.718 -1.297) 6.842 2.661 ( 0.000 6.718 1.297) 6.842 2.821 ( 0.000 1.958 -8.374) 8.600 2.821 ( 0.000 1.958 8.374) 8.600 2.856 ( 0.000 9.044 -6.600) 11.196 2.856 ( 0.000 9.044 6.600) 11.196 2.957 ( 0.000 14.711 -2.513) 14.924 2.957 ( 0.000 14.711 2.513) 14.924 3.104 ( 0.000 16.908 -0.016) 16.908 3.104 ( 0.000 16.908 0.016) 16.908 3.392 ( 0.000 16.979 -3.541) 17.344 3.392 ( 0.000 16.979 3.541) 17.344 4.007 ( 0.000 -0.828 -12.688) 12.715 4.007 ( 0.000 -0.828 12.688) 12.715 4.324 ( 0.000 0.858 -10.465) 10.501 4.324 ( 0.000 0.858 10.465) 10.501 4.777 ( 0.000 -1.102 -17.779) 17.813 4.777 ( 0.000 -1.102 17.779) 17.813 5.167 ( 0.000 -1.282 -3.072) 3.329 5.167 ( 0.000 -1.282 3.072) 3.329 5.344 ( 0.000 -3.573 -8.128) 8.878 5.344 ( 0.000 -3.573 8.128) 8.878 5.852 ( 0.000 -2.349 -5.070) 5.588 5.852 ( 0.000 -2.349 5.070) 5.588 5.938 ( 0.000 -2.242 -0.825) 2.389 5.938 ( 0.000 -2.242 0.825) 2.389 6.605 ( 0.000 -0.727 -3.740) 3.810 6.605 ( 0.000 -0.727 3.740) 3.810 7.388 ( 0.000 -8.544 -3.853) 9.372 7.388 ( 0.000 -8.544 3.853) 9.372 8.491 ( 0.000 1.534 -4.919) 5.153 8.491 ( 0.000 1.534 4.919) 5.153 8.713 ( 0.000 1.124 -8.589) 8.663 8.713 ( 0.000 1.124 8.589) 8.663 8.958 ( 0.000 10.387 -6.505) 12.256 8.958 ( 0.000 10.387 6.505) 12.256 9.132 ( 0.000 3.627 -1.225) 3.828 9.132 ( 0.000 3.627 1.225) 3.828 9.645 ( 0.000 16.088 -3.469) 16.457 9.645 ( 0.000 16.088 3.469) 16.457 10.411 ( 0.000 1.028 -6.967) 7.042 10.411 ( 0.000 1.028 6.967) 7.042 10.483 ( 0.000 9.781 -1.461) 9.889 10.483 ( 0.000 9.781 1.461) 9.889 10.853 ( 0.000 -1.714 -4.510) 4.825 10.853 ( 0.000 -1.714 4.510) 4.825 11.029 ( 0.000 7.558 -11.552) 13.805 11.029 ( 0.000 7.558 11.552) 13.805 11.437 ( 0.000 -4.201 -9.349) 10.250 11.437 ( 0.000 -4.201 9.349) 10.250 11.682 ( 0.000 -2.828 -1.994) 3.461 11.682 ( 0.000 -2.828 1.994) 3.461 12.172 ( 0.000 11.347 -0.765) 11.373 12.172 ( 0.000 11.347 0.765) 11.373 12.657 ( 0.000 -10.835 -0.435) 10.844 12.657 ( 0.000 -10.835 0.435) 10.844 12.844 ( 0.000 1.395 -0.855) 1.636 12.844 ( 0.000 1.395 0.855) 1.636 13.300 ( 0.000 -0.541 -9.277) 9.293 13.300 ( 0.000 -0.541 9.277) 9.293 13.664 ( 0.000 4.699 -1.099) 4.826 13.664 ( 0.000 4.699 1.099) 4.826 14.511 ( 0.000 -1.634 -1.724) 2.375 14.511 ( 0.000 -1.634 1.724) 2.375 14.882 ( 0.000 -7.167 -3.619) 8.029 14.882 ( 0.000 -7.167 3.619) 8.029 16.548 ( 0.000 1.707 -0.383) 1.750 16.548 ( 0.000 1.707 0.383) 1.750 16.848 ( 0.000 -3.098 -0.583) 3.152 16.848 ( 0.000 -3.098 0.583) 3.152 18.143 ( 0.000 -8.256 -5.032) 9.669 18.143 ( 0.000 -8.256 5.032) 9.669 18.525 ( 0.000 -13.058 -0.334) 13.062 18.525 ( 0.000 -13.058 0.334) 13.062 ======================= Grid point 162 (53/72) ======================= q-point: ( 0.20 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 11.105 8.829 -19.717) 24.291 1.434 ( 11.105 8.829 19.717) 24.291 1.518 ( 9.522 14.847 -20.209) 26.824 1.518 ( 9.522 14.847 20.209) 26.824 2.251 ( -7.275 15.860 -4.769) 18.089 2.251 ( -7.275 15.860 4.769) 18.089 2.365 ( -5.011 5.861 -9.985) 12.616 2.365 ( -5.011 5.861 9.985) 12.616 2.482 ( -1.518 10.846 -22.465) 24.992 2.482 ( -1.518 10.846 22.465) 24.992 2.767 ( 3.482 14.754 -4.407) 15.787 2.767 ( 3.482 14.754 4.407) 15.787 2.846 ( 0.878 10.477 -2.325) 10.768 2.846 ( 0.878 10.477 2.325) 10.768 2.963 ( 9.775 3.025 -9.125) 13.710 2.963 ( 9.775 3.025 9.125) 13.710 3.020 ( 7.354 9.143 -3.683) 12.298 3.020 ( 7.354 9.143 3.683) 12.298 3.150 ( 3.672 16.220 -1.216) 16.675 3.150 ( 3.672 16.220 1.216) 16.675 3.380 ( -1.118 17.080 -3.248) 17.422 3.380 ( -1.118 17.080 3.248) 17.422 3.885 ( -9.962 0.292 -12.503) 15.989 3.885 ( -9.962 0.292 12.503) 15.989 4.269 ( -7.075 0.681 -14.179) 15.861 4.269 ( -7.075 0.681 14.179) 15.861 4.554 ( -14.783 -0.830 -16.152) 21.912 4.554 ( -14.783 -0.830 16.152) 21.912 5.246 ( 2.463 -1.358 -5.870) 6.509 5.246 ( 2.463 -1.358 5.870) 6.509 5.451 ( 9.393 -3.790 -7.540) 12.627 5.451 ( 9.393 -3.790 7.540) 12.627 5.788 ( -4.404 -3.428 -1.529) 5.787 5.788 ( -4.404 -3.428 1.529) 5.787 6.007 ( 4.871 -2.193 -1.275) 5.492 6.007 ( 4.871 -2.193 1.275) 5.492 6.637 ( 3.555 -0.259 -6.267) 7.210 6.637 ( 3.555 -0.259 6.267) 7.210 7.345 ( -4.318 -8.267 -5.629) 10.894 7.345 ( -4.318 -8.267 5.629) 10.894 8.510 ( 1.749 1.841 -6.452) 6.934 8.510 ( 1.749 1.841 6.452) 6.934 8.720 ( -0.276 -0.292 -5.164) 5.180 8.720 ( -0.276 -0.292 5.164) 5.180 8.945 ( -0.803 13.305 -5.456) 14.402 8.945 ( -0.803 13.305 5.456) 14.402 9.122 ( -0.755 4.883 -1.637) 5.205 9.122 ( -0.755 4.883 1.637) 5.205 9.709 ( 5.664 14.392 -2.882) 15.733 9.709 ( 5.664 14.392 2.882) 15.733 10.405 ( -4.257 7.340 -3.075) 9.025 10.405 ( -4.257 7.340 3.075) 9.025 10.529 ( 7.847 2.284 -5.150) 9.660 10.529 ( 7.847 2.284 5.150) 9.660 10.865 ( 0.429 -1.207 -4.252) 4.441 10.865 ( 0.429 -1.207 4.252) 4.441 10.981 ( -2.561 5.000 -5.860) 8.118 10.981 ( -2.561 5.000 5.860) 8.118 11.583 ( 12.060 -1.491 -3.390) 12.615 11.583 ( 12.060 -1.491 3.390) 12.615 11.678 ( -0.020 -3.329 -2.578) 4.210 11.678 ( -0.020 -3.329 2.578) 4.210 12.196 ( 1.905 6.305 -3.130) 7.292 12.196 ( 1.905 6.305 3.130) 7.292 12.650 ( -1.100 -10.681 -0.652) 10.757 12.650 ( -1.100 -10.681 0.652) 10.757 12.831 ( -1.615 0.443 -0.144) 1.681 12.831 ( -1.615 0.443 0.144) 1.681 13.113 ( -17.362 1.188 -7.372) 18.899 13.113 ( -17.362 1.188 7.372) 18.899 13.613 ( -2.237 7.042 -1.234) 7.491 13.613 ( -2.237 7.042 1.234) 7.491 14.499 ( -1.366 -1.836 -1.920) 2.988 14.499 ( -1.366 -1.836 1.920) 2.988 14.910 ( 2.150 -6.530 -2.852) 7.443 14.910 ( 2.150 -6.530 2.852) 7.443 16.592 ( 4.213 0.427 -2.486) 4.910 16.592 ( 4.213 0.427 2.486) 4.910 16.887 ( 2.689 -3.001 -2.630) 4.812 16.887 ( 2.689 -3.001 2.630) 4.812 18.129 ( -1.482 -8.366 -4.463) 9.597 18.129 ( -1.482 -8.366 4.463) 9.597 18.460 ( -4.987 -11.166 -1.281) 12.296 18.460 ( -4.987 -11.166 1.281) 12.296 ======================= Grid point 164 (54/72) ======================= q-point: ( 0.40 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 13.885 9.782 -9.382) 19.404 1.703 ( 13.885 9.782 9.382) 19.404 1.765 ( 12.847 10.255 -12.022) 20.365 1.765 ( 12.847 10.255 12.022) 20.365 2.032 ( -11.565 14.040 -6.477) 19.308 2.032 ( -11.565 14.040 6.477) 19.308 2.118 ( -14.458 6.306 -8.941) 18.131 2.118 ( -14.458 6.306 8.941) 18.131 2.624 ( 7.774 8.251 -9.394) 14.723 2.624 ( 7.774 8.251 9.394) 14.723 2.773 ( -2.045 12.648 -0.795) 12.837 2.773 ( -2.045 12.648 0.795) 12.837 2.905 ( 4.620 16.510 -5.402) 17.975 2.905 ( 4.620 16.510 5.402) 17.975 3.102 ( 2.582 8.393 -7.868) 11.790 3.102 ( 2.582 8.393 7.868) 11.790 3.217 ( 3.546 14.896 -0.736) 15.330 3.217 ( 3.546 14.896 0.736) 15.330 3.237 ( 8.160 4.485 -9.862) 13.563 3.237 ( 8.160 4.485 9.862) 13.563 3.355 ( -0.821 17.518 -2.135) 17.667 3.355 ( -0.821 17.518 2.135) 17.667 3.681 ( -7.811 1.673 -8.657) 11.780 3.681 ( -7.811 1.673 8.657) 11.780 4.076 ( -7.848 0.820 -8.904) 11.897 4.076 ( -7.848 0.820 8.904) 11.897 4.310 ( -7.824 -1.148 -7.101) 10.628 4.310 ( -7.824 -1.148 7.101) 10.628 5.281 ( 1.091 -0.557 -4.570) 4.731 5.281 ( 1.091 -0.557 4.570) 4.731 5.575 ( 1.635 -4.351 -2.549) 5.301 5.575 ( 1.635 -4.351 2.549) 5.301 5.738 ( 0.127 -3.403 -0.206) 3.411 5.738 ( 0.127 -3.403 0.206) 3.411 6.087 ( 2.301 -3.689 -0.348) 4.362 6.087 ( 2.301 -3.689 0.348) 4.362 6.735 ( 4.425 -0.004 -4.894) 6.598 6.735 ( 4.425 -0.004 4.894) 6.598 7.239 ( -4.504 -7.722 -4.716) 10.107 7.239 ( -4.504 -7.722 4.716) 10.107 8.557 ( 2.551 -0.559 -4.620) 5.306 8.557 ( 2.551 -0.559 4.620) 5.306 8.675 ( -3.228 5.155 -1.064) 6.174 8.675 ( -3.228 5.155 1.064) 6.174 8.946 ( 0.428 12.367 -1.763) 12.500 8.946 ( 0.428 12.367 1.763) 12.500 9.108 ( -0.377 6.985 -1.644) 7.186 9.108 ( -0.377 6.985 1.644) 7.186 9.833 ( 4.862 11.970 -1.211) 12.976 9.833 ( 4.862 11.970 1.211) 12.976 10.298 ( -4.377 8.979 -1.154) 10.055 10.298 ( -4.377 8.979 1.154) 10.055 10.709 ( 7.668 -0.726 -1.270) 7.806 10.709 ( 7.668 -0.726 1.270) 7.806 10.831 ( -3.550 -0.910 -3.660) 5.179 10.831 ( -3.550 -0.910 3.660) 5.179 10.979 ( 1.395 4.878 -0.359) 5.086 10.979 ( 1.395 4.878 0.359) 5.086 11.669 ( -0.050 -5.353 -0.191) 5.357 11.669 ( -0.050 -5.353 0.191) 5.357 11.881 ( 14.698 0.966 -4.086) 15.286 11.881 ( 14.698 0.966 4.086) 15.286 12.208 ( -2.745 0.075 -5.035) 5.735 12.208 ( -2.745 0.075 5.035) 5.735 12.608 ( -3.449 -9.526 -1.538) 10.247 12.608 ( -3.449 -9.526 1.538) 10.247 12.652 ( -12.380 -3.356 -4.862) 13.717 12.652 ( -12.380 -3.356 4.862) 13.717 12.882 ( -1.777 4.124 -0.535) 4.522 12.882 ( -1.777 4.124 0.535) 4.522 13.599 ( 0.131 10.245 -0.617) 10.264 13.599 ( 0.131 10.245 0.617) 10.264 14.468 ( -1.118 -2.219 -0.704) 2.583 14.468 ( -1.118 -2.219 0.704) 2.583 14.945 ( 0.960 -5.814 -1.052) 5.986 14.945 ( 0.960 -5.814 1.052) 5.986 16.689 ( 3.837 -1.281 -1.935) 4.484 16.689 ( 3.837 -1.281 1.935) 4.484 16.917 ( 0.081 -2.610 -1.981) 3.277 16.917 ( 0.081 -2.610 1.981) 3.277 18.092 ( -1.449 -8.482 -1.871) 8.806 18.092 ( -1.449 -8.482 1.871) 8.806 18.381 ( -2.083 -8.947 -0.889) 9.229 18.381 ( -2.083 -8.947 0.889) 9.229 ======================= Grid point 170 (55/72) ======================= q-point: ( 0.00 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 0.000 14.239 -12.013) 18.630 1.561 ( 0.000 14.239 12.013) 18.630 1.769 ( 0.000 18.055 -14.558) 23.193 1.769 ( 0.000 18.055 14.558) 23.193 2.595 ( 0.000 4.959 -5.476) 7.387 2.595 ( 0.000 4.959 5.476) 7.387 2.644 ( 0.000 8.277 -5.842) 10.131 2.644 ( 0.000 8.277 5.842) 10.131 2.796 ( 0.000 8.808 -0.316) 8.813 2.796 ( 0.000 8.808 0.316) 8.813 2.894 ( 0.000 15.256 -8.193) 17.317 2.894 ( 0.000 15.256 8.193) 17.317 3.020 ( 0.000 28.197 -12.519) 30.851 3.020 ( 0.000 28.197 12.519) 30.851 3.214 ( 0.000 22.168 -2.488) 22.307 3.214 ( 0.000 22.168 2.488) 22.307 3.365 ( 0.000 24.117 -2.731) 24.271 3.365 ( 0.000 24.117 2.731) 24.271 3.518 ( 0.000 22.586 -0.283) 22.588 3.518 ( 0.000 22.586 0.283) 22.588 3.830 ( 0.000 24.267 -6.115) 25.025 3.830 ( 0.000 24.267 6.115) 25.025 4.003 ( 0.000 1.304 -10.939) 11.016 4.003 ( 0.000 1.304 10.939) 11.016 4.372 ( 0.000 4.931 -8.336) 9.685 4.372 ( 0.000 4.931 8.336) 9.685 4.756 ( 0.000 -0.400 -17.132) 17.137 4.756 ( 0.000 -0.400 17.132) 17.137 5.133 ( 0.000 -1.887 -2.158) 2.867 5.133 ( 0.000 -1.887 2.158) 2.867 5.253 ( 0.000 -5.116 -4.452) 6.782 5.253 ( 0.000 -5.116 4.452) 6.782 5.784 ( 0.000 -4.158 -5.300) 6.736 5.784 ( 0.000 -4.158 5.300) 6.736 5.892 ( 0.000 -2.349 -2.847) 3.691 5.892 ( 0.000 -2.349 2.847) 3.691 6.601 ( 0.000 0.559 -2.065) 2.140 6.601 ( 0.000 0.559 2.065) 2.140 7.219 ( 0.000 -7.390 -2.172) 7.703 7.219 ( 0.000 -7.390 2.172) 7.703 8.471 ( 0.000 -2.939 -1.971) 3.539 8.471 ( 0.000 -2.939 1.971) 3.539 8.724 ( 0.000 -0.766 -3.816) 3.893 8.724 ( 0.000 -0.766 3.816) 3.893 9.014 ( 0.000 -0.576 -0.311) 0.654 9.014 ( 0.000 -0.576 0.311) 0.654 9.412 ( 0.000 17.866 -2.661) 18.063 9.412 ( 0.000 17.866 2.661) 18.063 10.029 ( 0.000 19.603 -2.674) 19.785 10.029 ( 0.000 19.603 2.674) 19.785 10.457 ( 0.000 3.976 -10.515) 11.241 10.457 ( 0.000 3.976 10.515) 11.241 10.658 ( 0.000 3.760 -2.377) 4.448 10.658 ( 0.000 3.760 2.377) 4.448 10.851 ( 0.000 2.505 -3.212) 4.073 10.851 ( 0.000 2.505 3.212) 4.073 11.160 ( 0.000 -0.166 -6.235) 6.238 11.160 ( 0.000 -0.166 6.235) 6.238 11.396 ( 0.000 6.120 -10.402) 12.069 11.396 ( 0.000 6.120 10.402) 12.069 11.667 ( 0.000 3.341 -1.761) 3.776 11.667 ( 0.000 3.341 1.761) 3.776 12.380 ( 0.000 8.129 -2.016) 8.375 12.380 ( 0.000 8.129 2.016) 8.375 12.489 ( 0.000 -3.903 -1.072) 4.048 12.489 ( 0.000 -3.903 1.072) 4.048 12.891 ( 0.000 3.373 -2.605) 4.262 12.891 ( 0.000 3.373 2.605) 4.262 13.274 ( 0.000 -2.202 -8.609) 8.886 13.274 ( 0.000 -2.202 8.609) 8.886 13.760 ( 0.000 3.670 -2.201) 4.279 13.760 ( 0.000 3.670 2.201) 4.279 14.440 ( 0.000 -5.741 -5.967) 8.281 14.440 ( 0.000 -5.741 5.967) 8.281 14.685 ( 0.000 -11.696 -2.255) 11.912 14.685 ( 0.000 -11.696 2.255) 11.912 16.537 ( 0.000 -3.297 -1.233) 3.520 16.537 ( 0.000 -3.297 1.233) 3.520 16.777 ( 0.000 -3.512 -1.589) 3.855 16.777 ( 0.000 -3.512 1.589) 3.855 17.911 ( 0.000 -14.121 -3.102) 14.458 17.911 ( 0.000 -14.121 3.102) 14.458 18.195 ( 0.000 -18.629 -1.524) 18.691 18.195 ( 0.000 -18.629 1.524) 18.691 ======================= Grid point 172 (56/72) ======================= q-point: ( 0.20 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 9.307 12.918 -13.228) 20.699 1.660 ( 9.307 12.918 13.228) 20.699 1.838 ( 6.650 16.074 -16.733) 24.137 1.838 ( 6.650 16.074 16.733) 24.137 2.443 ( -10.413 5.133 -6.091) 13.110 2.443 ( -10.413 5.133 6.091) 13.110 2.610 ( -6.556 13.254 -6.756) 16.257 2.610 ( -6.556 13.254 6.756) 16.257 2.853 ( 3.876 16.989 -5.675) 18.326 2.853 ( 3.876 16.989 5.675) 18.326 2.977 ( 6.542 10.438 -5.984) 13.695 2.977 ( 6.542 10.438 5.984) 13.695 3.069 ( 5.530 17.283 -10.315) 20.873 3.069 ( 5.530 17.283 10.315) 20.873 3.260 ( 4.042 22.686 -1.951) 23.126 3.260 ( 4.042 22.686 1.951) 23.126 3.385 ( 2.512 24.202 -4.095) 24.675 3.385 ( 2.512 24.202 4.095) 24.675 3.560 ( 3.378 22.458 -1.312) 22.749 3.560 ( 3.378 22.458 1.312) 22.749 3.805 ( -2.316 20.796 -5.268) 21.578 3.805 ( -2.316 20.796 5.268) 21.578 3.923 ( -6.220 6.635 -9.189) 12.929 3.923 ( -6.220 6.635 9.189) 12.929 4.318 ( -6.052 4.997 -9.894) 12.629 4.318 ( -6.052 4.997 9.894) 12.629 4.553 ( -14.262 1.899 -15.027) 20.805 4.553 ( -14.262 1.899 15.027) 20.805 5.206 ( 3.154 -2.550 -4.741) 6.239 5.206 ( 3.154 -2.550 4.741) 6.239 5.358 ( 8.703 -5.117 -6.129) 11.811 5.358 ( 8.703 -5.117 6.129) 11.811 5.705 ( -5.123 -4.385 -2.377) 7.150 5.705 ( -5.123 -4.385 2.377) 7.150 5.945 ( 3.141 -3.818 -1.827) 5.271 5.945 ( 3.141 -3.818 1.827) 5.271 6.644 ( 4.246 1.091 -4.527) 6.302 6.644 ( 4.246 1.091 4.527) 6.302 7.179 ( -3.911 -7.286 -5.107) 9.719 7.179 ( -3.911 -7.286 5.107) 9.719 8.491 ( 1.221 -3.032 -2.967) 4.414 8.491 ( 1.221 -3.032 2.967) 4.414 8.702 ( -0.721 -2.033 -3.499) 4.110 8.702 ( -0.721 -2.033 3.499) 4.110 9.089 ( 5.320 2.562 -0.560) 5.931 9.089 ( 5.320 2.562 0.560) 5.931 9.389 ( -1.802 17.131 -1.716) 17.311 9.389 ( -1.802 17.131 1.716) 17.311 10.067 ( 3.220 18.851 -1.989) 19.227 10.067 ( 3.220 18.851 1.989) 19.227 10.475 ( 2.061 2.076 -5.656) 6.368 10.475 ( 2.061 2.076 5.656) 6.368 10.694 ( 2.373 9.465 -4.748) 10.851 10.694 ( 2.373 9.465 4.748) 10.851 10.851 ( 0.133 0.264 -2.970) 2.985 10.851 ( 0.133 0.264 2.970) 2.985 11.070 ( -4.420 1.638 -1.785) 5.040 11.070 ( -4.420 1.638 1.785) 5.040 11.580 ( 13.173 4.046 -4.240) 14.418 11.580 ( 13.173 4.046 4.240) 14.418 11.641 ( -1.446 0.946 -2.044) 2.676 11.641 ( -1.446 0.946 2.044) 2.676 12.303 ( -5.436 3.860 -1.872) 6.925 12.303 ( -5.436 3.860 1.872) 6.925 12.500 ( -0.821 -2.862 -0.509) 3.021 12.500 ( -0.821 -2.862 0.509) 3.021 12.867 ( -3.155 3.397 -0.819) 4.708 12.867 ( -3.155 3.397 0.819) 4.708 13.131 ( -12.441 0.678 -6.551) 14.076 13.131 ( -12.441 0.678 6.551) 14.076 13.752 ( 0.740 5.551 -1.587) 5.820 13.752 ( 0.740 5.551 1.587) 5.820 14.413 ( -2.270 -6.882 -3.839) 8.201 14.413 ( -2.270 -6.882 3.839) 8.201 14.724 ( 2.796 -11.477 -1.280) 11.881 14.724 ( 2.796 -11.477 1.280) 11.881 16.564 ( 2.831 -3.549 -1.764) 4.870 16.564 ( 2.831 -3.549 1.764) 4.870 16.813 ( 2.612 -3.941 -2.565) 5.379 16.813 ( 2.612 -3.941 2.565) 5.379 17.894 ( -1.649 -14.211 -2.741) 14.566 17.894 ( -1.649 -14.211 2.741) 14.566 18.166 ( -2.187 -17.131 -1.331) 17.322 18.166 ( -2.187 -17.131 1.331) 17.322 ======================= Grid point 174 (57/72) ======================= q-point: ( 0.40 0.13 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 11.279 10.116 -10.215) 18.273 1.891 ( 11.279 10.116 10.215) 18.273 2.017 ( 9.153 11.661 -15.383) 21.364 2.017 ( 9.153 11.661 15.383) 21.364 2.224 ( -9.621 9.107 -8.225) 15.593 2.224 ( -9.621 9.107 8.225) 15.593 2.406 ( -11.000 15.458 -8.905) 20.958 2.406 ( -11.000 15.458 8.905) 20.958 2.953 ( 4.747 21.692 -3.710) 22.513 2.953 ( 4.747 21.692 3.710) 22.513 3.076 ( 1.681 15.138 -2.839) 15.493 3.076 ( 1.681 15.138 2.839) 15.493 3.153 ( 2.092 7.759 -0.692) 8.066 3.153 ( 2.092 7.759 0.692) 8.066 3.369 ( 4.780 16.444 -2.713) 17.338 3.369 ( 4.780 16.444 2.713) 17.338 3.467 ( 3.964 20.552 -6.776) 22.001 3.467 ( 3.964 20.552 6.776) 22.001 3.597 ( -0.807 16.531 -3.483) 16.913 3.597 ( -0.807 16.531 3.483) 16.913 3.781 ( 0.533 14.518 -5.207) 15.433 3.781 ( 0.533 14.518 5.207) 15.433 3.828 ( -0.816 24.240 -4.902) 24.745 3.828 ( -0.816 24.240 4.902) 24.745 4.152 ( -8.042 8.903 -6.017) 13.422 4.152 ( -8.042 8.903 6.017) 13.422 4.297 ( -8.676 1.061 -7.895) 11.778 4.297 ( -8.676 1.061 7.895) 11.778 5.266 ( 2.353 -0.782 -3.917) 4.636 5.266 ( 2.353 -0.782 3.917) 4.636 5.466 ( 0.903 -6.125 -2.885) 6.830 5.466 ( 0.903 -6.125 2.885) 6.830 5.646 ( -0.108 -5.384 -0.834) 5.449 5.646 ( -0.108 -5.384 0.834) 5.449 5.989 ( 1.047 -5.787 -0.895) 5.949 5.989 ( 1.047 -5.787 0.895) 5.949 6.753 ( 4.997 1.908 -4.273) 6.846 6.753 ( 4.997 1.908 4.273) 6.846 7.078 ( -4.647 -7.304 -4.764) 9.881 7.078 ( -4.647 -7.304 4.764) 9.881 8.498 ( -0.224 -3.966 -1.644) 4.299 8.498 ( -0.224 -3.966 1.644) 4.299 8.715 ( 1.097 -1.645 -1.811) 2.681 8.715 ( 1.097 -1.645 1.811) 2.681 9.166 ( 1.741 7.706 -0.544) 7.919 9.166 ( 1.741 7.706 0.544) 7.919 9.359 ( -0.800 14.464 -0.333) 14.490 9.359 ( -0.800 14.464 0.333) 14.490 10.136 ( 2.686 16.505 -1.016) 16.753 10.136 ( 2.686 16.505 1.016) 16.753 10.507 ( 0.310 9.416 -1.474) 9.536 10.507 ( 0.310 9.416 1.474) 9.536 10.738 ( 2.462 5.159 -2.952) 6.434 10.738 ( 2.462 5.159 2.952) 6.434 10.824 ( -3.047 0.360 -1.791) 3.553 10.824 ( -3.047 0.360 1.791) 3.553 11.069 ( 3.034 2.897 -0.702) 4.253 11.069 ( 3.034 2.897 0.702) 4.253 11.594 ( -1.299 -1.307 -0.604) 1.939 11.594 ( -1.299 -1.307 0.604) 1.939 11.880 ( 12.447 0.220 -2.436) 12.685 11.880 ( 12.447 0.220 2.436) 12.685 12.190 ( -5.179 -1.347 -2.468) 5.893 12.190 ( -5.179 -1.347 2.468) 5.893 12.475 ( 0.417 -1.098 -0.991) 1.537 12.475 ( 0.417 -1.098 0.991) 1.537 12.658 ( -14.295 2.699 -3.642) 14.997 12.658 ( -14.295 2.699 3.642) 14.997 12.982 ( -1.451 5.730 -0.989) 5.993 12.982 ( -1.451 5.730 0.989) 5.993 13.787 ( 1.651 7.713 -0.423) 7.899 13.787 ( 1.651 7.713 0.423) 7.899 14.368 ( -1.549 -8.005 -1.132) 8.232 14.368 ( -1.549 -8.005 1.132) 8.232 14.766 ( 1.109 -11.681 -0.420) 11.741 14.766 ( 1.109 -11.681 0.420) 11.741 16.633 ( 2.767 -4.438 -1.176) 5.360 16.633 ( 2.767 -4.438 1.176) 5.360 16.848 ( 0.552 -3.935 -1.610) 4.288 16.848 ( 0.552 -3.935 1.610) 4.288 17.857 ( -1.419 -14.217 -1.175) 14.336 17.857 ( -1.419 -14.217 1.175) 14.336 18.132 ( -0.899 -15.167 -0.479) 15.201 18.132 ( -0.899 -15.167 0.479) 15.201 ======================= Grid point 180 (58/72) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 0.000 14.772 -4.718) 15.508 1.859 ( 0.000 14.772 4.718) 15.508 2.140 ( 0.000 18.295 -7.507) 19.775 2.140 ( 0.000 18.295 7.507) 19.775 2.694 ( 0.000 4.406 -2.105) 4.883 2.694 ( 0.000 4.406 2.105) 4.883 2.720 ( 0.000 3.017 -4.822) 5.688 2.720 ( 0.000 3.017 4.822) 5.688 2.877 ( 0.000 4.207 -5.771) 7.142 2.877 ( 0.000 4.207 5.771) 7.142 3.374 ( 0.000 19.749 -5.344) 20.459 3.374 ( 0.000 19.749 5.344) 20.459 3.543 ( 0.000 20.412 -0.375) 20.415 3.543 ( 0.000 20.412 0.375) 20.415 3.648 ( 0.000 18.841 -0.413) 18.846 3.648 ( 0.000 18.841 0.413) 18.846 3.866 ( 0.000 23.439 -3.162) 23.651 3.866 ( 0.000 23.439 3.162) 23.651 3.972 ( 0.000 22.336 -0.542) 22.343 3.972 ( 0.000 22.336 0.542) 22.343 4.081 ( 0.000 9.682 -2.740) 10.062 4.081 ( 0.000 9.682 2.740) 10.062 4.316 ( 0.000 19.925 -8.948) 21.842 4.316 ( 0.000 19.925 8.948) 21.842 4.557 ( 0.000 13.270 -6.356) 14.714 4.557 ( 0.000 13.270 6.356) 14.714 4.831 ( 0.000 10.987 -10.031) 14.877 4.831 ( 0.000 10.987 10.031) 14.877 5.096 ( 0.000 -2.011 -0.306) 2.034 5.096 ( 0.000 -2.011 0.306) 2.034 5.160 ( 0.000 -2.707 -0.002) 2.707 5.160 ( 0.000 -2.707 0.002) 2.707 5.702 ( 0.000 -3.191 -4.748) 5.721 5.702 ( 0.000 -3.191 4.748) 5.721 5.844 ( 0.000 -2.094 -4.918) 5.345 5.844 ( 0.000 -2.094 4.918) 5.345 6.631 ( 0.000 2.238 -0.548) 2.304 6.631 ( 0.000 2.238 0.548) 2.304 7.108 ( 0.000 -3.223 -0.666) 3.291 7.108 ( 0.000 -3.223 0.666) 3.291 8.400 ( 0.000 -3.443 -3.947) 5.238 8.400 ( 0.000 -3.443 3.947) 5.238 8.665 ( 0.000 -5.132 -4.747) 6.991 8.665 ( 0.000 -5.132 4.747) 6.991 9.028 ( 0.000 2.444 -0.996) 2.639 9.028 ( 0.000 2.444 0.996) 2.639 9.709 ( 0.000 10.456 -0.364) 10.463 9.709 ( 0.000 10.456 0.364) 10.463 10.316 ( 0.000 5.884 -0.129) 5.885 10.316 ( 0.000 5.884 0.129) 5.885 10.574 ( 0.000 6.794 -11.354) 13.232 10.574 ( 0.000 6.794 11.354) 13.232 10.650 ( 0.000 -1.336 -4.629) 4.818 10.650 ( 0.000 -1.336 4.629) 4.818 10.953 ( 0.000 7.523 -1.781) 7.731 10.953 ( 0.000 7.523 1.781) 7.731 11.020 ( 0.000 -8.157 -1.427) 8.281 11.020 ( 0.000 -8.157 1.427) 8.281 11.695 ( 0.000 18.863 -7.743) 20.390 11.695 ( 0.000 18.863 7.743) 20.390 11.853 ( 0.000 13.220 -2.147) 13.393 11.853 ( 0.000 13.220 2.147) 13.393 12.464 ( 0.000 2.290 -2.230) 3.196 12.464 ( 0.000 2.290 2.230) 3.196 12.529 ( 0.000 4.944 -6.730) 8.351 12.529 ( 0.000 4.944 6.730) 8.351 12.984 ( 0.000 5.603 -1.041) 5.699 12.984 ( 0.000 5.603 1.041) 5.699 13.203 ( 0.000 -4.990 -6.545) 8.230 13.203 ( 0.000 -4.990 6.545) 8.230 13.777 ( 0.000 -2.351 -1.242) 2.659 13.777 ( 0.000 -2.351 1.242) 2.659 14.291 ( 0.000 -8.273 -8.188) 11.640 14.291 ( 0.000 -8.273 8.188) 11.640 14.434 ( 0.000 -12.553 -1.148) 12.605 14.434 ( 0.000 -12.553 1.148) 12.605 16.429 ( 0.000 -6.638 -2.210) 6.996 16.429 ( 0.000 -6.638 2.210) 6.996 16.715 ( 0.000 -2.577 -3.514) 4.358 16.715 ( 0.000 -2.577 3.514) 4.358 17.602 ( 0.000 -15.734 -1.118) 15.774 17.602 ( 0.000 -15.734 1.118) 15.774 17.798 ( 0.000 -20.216 -1.373) 20.262 17.798 ( 0.000 -20.216 1.373) 20.262 ======================= Grid point 182 (59/72) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 6.860 13.416 -6.265) 16.319 1.931 ( 6.860 13.416 6.265) 16.319 2.165 ( 2.666 16.042 -10.030) 19.107 2.165 ( 2.666 16.042 10.030) 19.107 2.569 ( -7.097 7.106 -3.623) 10.677 2.569 ( -7.097 7.106 3.623) 10.677 2.768 ( -1.316 4.718 -6.073) 7.802 2.768 ( -1.316 4.718 6.073) 7.802 2.970 ( 8.057 3.161 -6.595) 10.881 2.970 ( 8.057 3.161 6.595) 10.881 3.341 ( -0.964 14.261 -3.772) 14.783 3.341 ( -0.964 14.261 3.772) 14.783 3.520 ( -1.227 22.415 -1.280) 22.485 3.520 ( -1.227 22.415 1.280) 22.485 3.676 ( 0.450 15.866 -2.942) 16.142 3.676 ( 0.450 15.866 2.942) 16.142 3.873 ( 0.077 20.383 -2.830) 20.579 3.873 ( 0.077 20.383 2.830) 20.579 3.979 ( -0.430 20.487 -1.610) 20.555 3.979 ( -0.430 20.487 1.610) 20.555 4.064 ( 0.389 15.257 -3.246) 15.604 4.064 ( 0.389 15.257 3.246) 15.604 4.310 ( -0.539 18.536 -7.913) 20.162 4.310 ( -0.539 18.536 7.913) 20.162 4.480 ( -5.901 13.792 -7.415) 16.734 4.480 ( -5.901 13.792 7.415) 16.734 4.744 ( -6.411 18.618 -7.813) 21.184 4.744 ( -6.411 18.618 7.813) 21.184 5.152 ( 4.094 -2.413 -2.255) 5.260 5.152 ( 4.094 -2.413 2.255) 5.260 5.261 ( 7.481 -3.646 -3.755) 9.130 5.261 ( 7.481 -3.646 3.755) 9.130 5.627 ( -5.614 -2.664 -3.421) 7.093 5.627 ( -5.614 -2.664 3.421) 7.093 5.862 ( 0.778 -3.995 -3.705) 5.504 5.862 ( 0.778 -3.995 3.705) 5.504 6.681 ( 4.712 2.304 -2.664) 5.883 6.681 ( 4.712 2.304 2.664) 5.883 7.071 ( -3.638 -3.009 -3.911) 6.130 7.071 ( -3.638 -3.009 3.911) 6.130 8.417 ( 0.831 -3.807 -3.363) 5.147 8.417 ( 0.831 -3.807 3.363) 5.147 8.634 ( -1.206 -4.670 -3.944) 6.230 8.634 ( -1.206 -4.670 3.944) 6.230 9.132 ( 7.956 2.406 -1.486) 8.444 9.132 ( 7.956 2.406 1.486) 8.444 9.661 ( -4.281 8.816 -0.606) 9.820 9.661 ( -4.281 8.816 0.606) 9.820 10.352 ( 3.301 6.715 -1.556) 7.642 10.352 ( 3.301 6.715 1.556) 7.642 10.561 ( 1.675 6.217 -8.982) 11.052 10.561 ( 1.675 6.217 8.982) 11.052 10.766 ( 6.660 -0.273 -1.815) 6.909 10.766 ( 6.660 -0.273 1.815) 6.909 10.948 ( 0.796 7.458 -4.148) 8.571 10.948 ( 0.796 7.458 4.148) 8.571 11.013 ( -0.542 -3.499 -3.875) 5.249 11.013 ( -0.542 -3.499 3.875) 5.249 11.758 ( -5.696 10.075 -1.567) 11.679 11.758 ( -5.696 10.075 1.567) 11.679 11.795 ( 6.296 14.597 -5.587) 16.850 11.795 ( 6.296 14.597 5.587) 16.850 12.366 ( -8.711 2.427 -0.615) 9.064 12.366 ( -8.711 2.427 0.615) 9.064 12.506 ( -1.570 2.785 -3.370) 4.646 12.506 ( -1.570 2.785 3.370) 4.646 12.964 ( -3.655 5.357 -3.223) 7.242 12.964 ( -3.655 5.357 3.223) 7.242 13.151 ( -4.362 1.948 -4.820) 6.786 13.151 ( -4.362 1.948 4.820) 6.786 13.795 ( 2.998 -2.294 -2.141) 4.340 13.795 ( 2.998 -2.294 2.141) 4.340 14.241 ( -4.037 -9.027 -5.361) 11.248 14.241 ( -4.037 -9.027 5.361) 11.248 14.467 ( 2.003 -13.366 -0.574) 13.528 14.467 ( 2.003 -13.366 0.574) 13.528 16.457 ( 2.613 -6.554 -2.039) 7.344 16.457 ( 2.613 -6.554 2.039) 7.344 16.739 ( 1.855 -3.283 -3.417) 5.089 16.739 ( 1.855 -3.283 3.417) 5.089 17.584 ( -1.721 -15.783 -1.243) 15.925 17.584 ( -1.721 -15.783 1.243) 15.925 17.793 ( -0.234 -19.236 -0.810) 19.255 17.793 ( -0.234 -19.236 0.810) 19.255 ======================= Grid point 184 (60/72) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 8.433 10.619 -6.112) 14.874 2.105 ( 8.433 10.619 6.112) 14.874 2.229 ( 1.777 9.745 -11.146) 14.911 2.229 ( 1.777 9.745 11.146) 14.911 2.446 ( -3.455 12.461 -4.994) 13.862 2.446 ( -3.455 12.461 4.994) 13.862 2.652 ( -7.336 9.378 -7.953) 14.318 2.652 ( -7.336 9.378 7.953) 14.318 3.144 ( 7.169 1.658 -5.882) 9.421 3.144 ( 7.169 1.658 5.882) 9.421 3.366 ( 0.901 8.130 -2.571) 8.574 3.366 ( 0.901 8.130 2.571) 8.574 3.485 ( -1.322 21.136 -2.670) 21.345 3.485 ( -1.322 21.136 2.670) 21.345 3.665 ( -0.515 11.685 -3.729) 12.277 3.665 ( -0.515 11.685 3.729) 12.277 3.869 ( 0.594 18.090 -0.991) 18.127 3.869 ( 0.594 18.090 0.991) 18.127 3.926 ( -4.264 17.604 -1.774) 18.199 3.926 ( -4.264 17.604 1.774) 18.199 4.102 ( 1.803 17.589 -1.998) 17.794 4.102 ( 1.803 17.589 1.998) 17.794 4.306 ( -0.397 11.380 -4.253) 12.155 4.306 ( -0.397 11.380 4.253) 12.155 4.429 ( 3.066 27.481 -6.860) 28.490 4.429 ( 3.066 27.481 6.860) 28.490 4.587 ( -8.507 26.283 -7.263) 28.564 4.587 ( -8.507 26.283 7.263) 28.564 5.253 ( 5.197 -0.510 -2.673) 5.867 5.253 ( 5.197 -0.510 2.673) 5.867 5.348 ( -0.510 -4.397 -2.915) 5.300 5.348 ( -0.510 -4.397 2.915) 5.300 5.542 ( -1.500 -4.063 -1.856) 4.712 5.542 ( -1.500 -4.063 1.856) 4.712 5.865 ( -0.181 -5.998 -1.784) 6.260 5.865 ( -0.181 -5.998 1.784) 6.261 6.805 ( 6.746 2.526 -4.248) 8.363 6.805 ( 6.746 2.526 4.248) 8.363 6.967 ( -6.111 -2.946 -5.077) 8.474 6.967 ( -6.111 -2.946 5.077) 8.474 8.415 ( -0.539 -4.124 -1.255) 4.344 8.415 ( -0.539 -4.124 1.255) 4.344 8.645 ( 1.261 -4.630 -1.643) 5.072 8.645 ( 1.261 -4.630 1.643) 5.072 9.269 ( 4.217 3.410 -1.086) 5.531 9.269 ( 4.217 3.410 1.086) 5.531 9.571 ( -3.288 6.195 -0.550) 7.035 9.571 ( -3.288 6.195 0.550) 7.035 10.421 ( 2.456 9.980 -2.341) 10.541 10.421 ( 2.456 9.980 2.341) 10.541 10.636 ( 3.730 2.772 -5.595) 7.273 10.636 ( 3.730 2.772 5.595) 7.273 10.832 ( 2.505 2.771 -4.903) 6.164 10.832 ( 2.505 2.771 4.903) 6.164 10.927 ( -4.798 9.561 -4.552) 11.626 10.927 ( -4.798 9.561 4.552) 11.626 11.093 ( 6.704 1.459 -1.093) 6.947 11.093 ( 6.704 1.459 1.093) 6.947 11.609 ( -5.247 1.930 -1.199) 5.718 11.609 ( -5.247 1.930 1.199) 5.718 11.972 ( 7.280 8.734 -2.634) 11.671 11.972 ( 7.280 8.734 2.634) 11.671 12.157 ( -9.046 -1.950 -0.728) 9.283 12.157 ( -9.046 -1.950 0.728) 9.283 12.540 ( 6.095 6.543 -2.618) 9.317 12.540 ( 6.095 6.543 2.618) 9.317 12.759 ( -13.757 7.247 -3.241) 15.883 12.759 ( -13.757 7.247 3.241) 15.883 13.118 ( 0.222 7.778 -0.926) 7.836 13.118 ( 0.222 7.778 0.926) 7.836 13.888 ( 4.378 1.139 -1.263) 4.697 13.888 ( 4.378 1.139 1.263) 4.697 14.154 ( -3.641 -12.203 -2.176) 12.919 14.154 ( -3.641 -12.203 2.176) 12.919 14.492 ( 0.529 -14.594 -0.321) 14.607 14.492 ( 0.529 -14.594 0.321) 14.607 16.513 ( 2.090 -7.004 -0.997) 7.377 16.513 ( 2.090 -7.004 0.997) 7.377 16.768 ( 0.719 -3.795 -1.696) 4.218 16.768 ( 0.719 -3.795 1.696) 4.218 17.546 ( -1.342 -15.760 -0.673) 15.831 17.546 ( -1.342 -15.760 0.673) 15.831 17.792 ( 0.049 -17.829 -0.159) 17.830 17.792 ( 0.049 -17.829 0.159) 17.830 ======================= Grid point 190 (61/72) ======================= q-point: ( 0.00 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 0.000 13.348 -1.861) 13.477 2.145 ( 0.000 13.348 1.861) 13.477 2.484 ( 0.000 14.804 -4.561) 15.491 2.484 ( 0.000 14.804 4.561) 15.491 2.758 ( 0.000 2.391 -3.916) 4.588 2.758 ( 0.000 2.391 3.916) 4.588 2.795 ( 0.000 4.561 -1.014) 4.672 2.795 ( 0.000 4.561 1.014) 4.672 3.009 ( 0.000 8.713 -4.260) 9.699 3.009 ( 0.000 8.713 4.260) 9.699 3.544 ( 0.000 0.370 -7.607) 7.616 3.544 ( 0.000 0.370 7.607) 7.616 3.809 ( 0.000 5.427 -7.484) 9.245 3.809 ( 0.000 5.427 7.484) 9.245 3.951 ( 0.000 10.805 -3.546) 11.372 3.951 ( 0.000 10.805 3.546) 11.372 4.189 ( 0.000 8.727 -9.893) 13.193 4.189 ( 0.000 8.727 9.893) 13.193 4.347 ( 0.000 13.167 -2.952) 13.494 4.347 ( 0.000 13.167 2.952) 13.494 4.406 ( 0.000 12.618 -5.370) 13.713 4.406 ( 0.000 12.618 5.370) 13.713 4.614 ( 0.000 18.784 -7.728) 20.311 4.614 ( 0.000 18.784 7.728) 20.311 4.936 ( 0.000 15.965 -5.757) 16.972 4.936 ( 0.000 15.965 5.757) 16.972 5.053 ( 0.000 -0.150 -0.729) 0.744 5.053 ( 0.000 -0.150 0.729) 0.744 5.116 ( 0.000 14.330 -2.670) 14.577 5.116 ( 0.000 14.330 2.670) 14.577 5.282 ( 0.000 17.274 -1.254) 17.319 5.282 ( 0.000 17.274 1.254) 17.319 5.704 ( 0.000 4.637 -3.100) 5.578 5.704 ( 0.000 4.637 3.100) 5.578 5.841 ( 0.000 3.458 -4.349) 5.556 5.841 ( 0.000 3.458 4.349) 5.556 6.679 ( 0.000 2.360 -0.453) 2.403 6.679 ( 0.000 2.360 0.453) 2.403 7.094 ( 0.000 1.534 -3.211) 3.559 7.094 ( 0.000 1.534 3.211) 3.559 8.349 ( 0.000 -1.463 -4.300) 4.542 8.349 ( 0.000 -1.463 4.300) 4.542 8.528 ( 0.000 -7.801 -6.222) 9.979 8.528 ( 0.000 -7.801 6.222) 9.979 9.113 ( 0.000 5.769 -1.553) 5.974 9.113 ( 0.000 5.769 1.553) 5.974 9.838 ( 0.000 3.115 -0.437) 3.146 9.838 ( 0.000 3.115 0.437) 3.146 10.318 ( 0.000 -2.123 -1.142) 2.411 10.318 ( 0.000 -2.123 1.142) 2.411 10.596 ( 0.000 -3.180 -4.658) 5.640 10.596 ( 0.000 -3.180 4.658) 5.640 10.669 ( 0.000 -0.736 -13.024) 13.045 10.669 ( 0.000 -0.736 13.024) 13.045 10.941 ( 0.000 2.596 -3.521) 4.375 10.941 ( 0.000 2.596 3.521) 4.375 11.176 ( 0.000 12.422 -1.363) 12.497 11.176 ( 0.000 12.422 1.363) 12.497 12.053 ( 0.000 14.313 -3.563) 14.750 12.053 ( 0.000 14.313 3.563) 14.750 12.114 ( 0.000 11.237 -2.821) 11.585 12.114 ( 0.000 11.237 2.821) 11.585 12.506 ( 0.000 1.350 -2.962) 3.255 12.506 ( 0.000 1.350 2.962) 3.255 12.625 ( 0.000 4.726 -10.893) 11.874 12.625 ( 0.000 4.726 10.893) 11.874 12.978 ( 0.000 -10.184 -5.210) 11.440 12.978 ( 0.000 -10.184 5.210) 11.440 13.187 ( 0.000 6.798 -0.959) 6.866 13.187 ( 0.000 6.798 0.959) 6.866 13.695 ( 0.000 -4.389 -2.026) 4.834 13.695 ( 0.000 -4.389 2.026) 4.834 14.084 ( 0.000 -12.535 -6.871) 14.295 14.084 ( 0.000 -12.535 6.871) 14.295 14.234 ( 0.000 -6.397 -0.590) 6.424 14.234 ( 0.000 -6.397 0.590) 6.424 16.298 ( 0.000 -5.705 -3.788) 6.848 16.298 ( 0.000 -5.705 3.788) 6.848 16.675 ( 0.000 -1.376 -4.737) 4.933 16.675 ( 0.000 -1.376 4.737) 4.933 17.306 ( 0.000 -12.869 -0.366) 12.874 17.306 ( 0.000 -12.869 0.366) 12.874 17.395 ( 0.000 -19.218 -1.494) 19.276 17.395 ( 0.000 -19.218 1.494) 19.276 ======================= Grid point 192 (62/72) ======================= q-point: ( 0.20 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 4.414 12.154 -2.790) 13.228 2.191 ( 4.414 12.154 2.790) 13.228 2.461 ( -1.637 12.415 -6.451) 14.086 2.461 ( -1.637 12.415 6.451) 14.086 2.714 ( -2.097 6.683 -0.795) 7.049 2.714 ( -2.097 6.683 0.795) 7.049 2.852 ( 1.424 4.248 -5.652) 7.213 2.852 ( 1.424 4.248 5.652) 7.213 3.061 ( 5.166 6.310 -4.962) 9.547 3.061 ( 5.166 6.310 4.962) 9.547 3.479 ( -3.852 1.528 -6.730) 7.904 3.479 ( -3.852 1.528 6.730) 7.904 3.771 ( -3.624 3.804 -4.092) 6.659 3.771 ( -3.624 3.804 4.092) 6.659 3.941 ( -2.065 9.162 -2.520) 9.724 3.941 ( -2.065 9.162 2.520) 9.724 4.205 ( 0.530 10.758 -7.460) 13.102 4.205 ( 0.530 10.758 7.460) 13.102 4.336 ( -0.788 13.709 -2.485) 13.954 4.336 ( -0.788 13.709 2.485) 13.954 4.380 ( -1.020 12.083 -3.174) 12.535 4.380 ( -1.020 12.083 3.174) 12.535 4.623 ( 0.234 19.301 -7.826) 20.828 4.623 ( 0.234 19.301 7.826) 20.828 4.912 ( 0.037 18.217 -4.366) 18.733 4.912 ( 0.037 18.217 4.366) 18.733 5.082 ( 0.047 5.814 -3.356) 6.714 5.082 ( 0.047 5.814 3.356) 6.714 5.165 ( 5.485 9.744 -1.817) 11.329 5.165 ( 5.485 9.744 1.817) 11.329 5.328 ( 3.394 14.311 -2.995) 15.009 5.328 ( 3.394 14.311 2.995) 15.009 5.643 ( -5.082 5.822 -3.447) 8.462 5.643 ( -5.082 5.822 3.447) 8.462 5.826 ( -1.441 2.456 -4.053) 4.953 5.826 ( -1.441 2.456 4.053) 4.953 6.724 ( 4.088 1.901 -0.582) 4.545 6.724 ( 4.088 1.901 0.582) 4.545 7.063 ( -2.900 1.934 -3.435) 4.894 7.063 ( -2.900 1.934 3.435) 4.894 8.351 ( -0.282 -2.624 -3.222) 4.165 8.351 ( -0.282 -2.624 3.222) 4.165 8.522 ( 0.345 -5.844 -4.790) 7.564 8.522 ( 0.345 -5.844 4.790) 7.564 9.200 ( 7.136 4.492 -2.802) 8.886 9.200 ( 7.136 4.492 2.802) 8.886 9.770 ( -5.748 3.215 -1.814) 6.831 9.770 ( -5.748 3.215 1.814) 6.831 10.383 ( 5.855 -1.224 -3.575) 6.968 10.383 ( 5.855 -1.224 3.575) 6.968 10.616 ( 1.361 -1.857 -5.843) 6.280 10.616 ( 1.361 -1.857 5.843) 6.280 10.740 ( 6.070 -2.364 -11.367) 13.102 10.740 ( 6.070 -2.364 11.367) 13.102 10.975 ( 4.354 3.567 -4.372) 7.127 10.975 ( 4.354 3.567 4.372) 7.127 11.188 ( 0.726 12.178 -1.387) 12.279 11.188 ( 0.726 12.178 1.387) 12.279 11.923 ( -14.721 4.663 -2.607) 15.660 11.923 ( -14.721 4.663 2.607) 15.660 12.101 ( 2.996 13.470 -3.952) 14.354 12.101 ( 2.996 13.470 3.952) 14.354 12.389 ( -12.086 0.116 -1.115) 12.138 12.389 ( -12.086 0.116 1.115) 12.138 12.610 ( 1.569 7.011 -5.970) 9.341 12.610 ( 1.569 7.011 5.970) 9.341 13.014 ( 0.955 -1.790 -5.287) 5.663 13.014 ( 0.955 -1.790 5.287) 5.663 13.252 ( 3.706 7.840 -1.945) 8.888 13.252 ( 3.706 7.840 1.945) 8.888 13.671 ( 0.114 -7.784 -1.998) 8.038 13.671 ( 0.114 -7.784 1.998) 8.038 14.047 ( -3.769 -11.586 -5.257) 13.269 14.047 ( -3.769 -11.586 5.257) 13.269 14.237 ( 0.173 -7.737 -0.523) 7.757 14.237 ( 0.173 -7.737 0.523) 7.757 16.325 ( 2.356 -5.897 -3.197) 7.109 16.325 ( 2.356 -5.897 3.197) 7.109 16.684 ( 0.723 -2.241 -4.242) 4.852 16.684 ( 0.723 -2.241 4.242) 4.852 17.286 ( -1.813 -13.065 -0.760) 13.212 17.286 ( -1.813 -13.065 0.760) 13.212 17.411 ( 1.387 -18.053 -0.610) 18.117 17.411 ( 1.387 -18.053 0.610) 18.117 ======================= Grid point 194 (63/72) ======================= q-point: ( 0.40 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 6.403 9.435 -2.785) 11.738 2.308 ( 6.403 9.435 2.785) 11.738 2.416 ( -3.413 8.654 -5.720) 10.920 2.416 ( -3.413 8.654 5.720) 10.920 2.698 ( 0.863 11.345 -2.310) 11.610 2.698 ( 0.863 11.345 2.310) 11.610 2.808 ( -4.158 6.509 -6.317) 9.978 2.808 ( -4.158 6.509 6.317) 9.978 3.177 ( 4.459 2.425 -3.666) 6.261 3.177 ( 4.459 2.425 3.666) 6.261 3.443 ( -0.598 1.603 -1.689) 2.404 3.443 ( -0.598 1.603 1.689) 2.404 3.729 ( 1.756 4.044 -2.318) 4.981 3.729 ( 1.756 4.044 2.318) 4.981 3.843 ( -7.011 5.125 -3.641) 9.417 3.843 ( -7.011 5.125 3.641) 9.417 4.189 ( -0.991 12.931 -2.689) 13.245 4.189 ( -0.991 12.931 2.689) 13.245 4.311 ( -1.015 20.147 -2.962) 20.389 4.311 ( -1.015 20.147 2.962) 20.389 4.420 ( 3.123 10.039 -4.944) 11.618 4.420 ( 3.123 10.039 4.944) 11.618 4.599 ( -2.028 16.379 -5.391) 17.362 4.599 ( -2.028 16.379 5.391) 17.362 4.967 ( 4.605 19.294 -4.516) 20.344 4.967 ( 4.605 19.294 4.516) 20.344 5.057 ( -2.837 16.537 -4.119) 17.277 5.057 ( -2.837 16.537 4.119) 17.277 5.277 ( 4.679 5.934 -2.306) 7.900 5.277 ( 4.679 5.934 2.306) 7.900 5.368 ( -0.426 7.052 -3.975) 8.106 5.368 ( -0.426 7.052 3.975) 8.106 5.552 ( -2.547 8.449 -2.402) 9.146 5.552 ( -2.547 8.449 2.402) 9.146 5.793 ( -1.256 1.429 -1.981) 2.747 5.793 ( -1.256 1.429 1.981) 2.747 6.822 ( 4.604 -0.153 -1.290) 4.784 6.822 ( 4.604 -0.153 1.290) 4.784 6.986 ( -3.981 3.851 -2.573) 6.107 6.986 ( -3.981 3.851 2.573) 6.107 8.336 ( -0.668 -3.549 -0.983) 3.743 8.336 ( -0.668 -3.549 0.983) 3.743 8.547 ( 1.273 -4.527 -1.677) 4.993 8.547 ( 1.273 -4.527 1.677) 4.993 9.336 ( 4.714 3.798 -2.827) 6.681 9.336 ( 4.714 3.798 2.827) 6.681 9.653 ( -4.363 3.181 -2.314) 5.874 9.653 ( -4.363 3.181 2.314) 5.874 10.520 ( 6.517 -0.410 -7.259) 9.764 10.520 ( 6.517 -0.410 7.259) 9.764 10.614 ( -2.319 -1.939 -6.986) 7.612 10.614 ( -2.319 -1.939 6.986) 7.612 10.882 ( 7.534 0.524 -3.695) 8.407 10.882 ( 7.534 0.524 3.695) 8.407 11.084 ( 1.051 4.983 -6.370) 8.156 11.084 ( 1.051 4.983 6.370) 8.156 11.210 ( 3.303 9.688 -1.762) 10.386 11.210 ( 3.303 9.688 1.762) 10.386 11.635 ( -9.917 0.208 -2.163) 10.153 11.635 ( -9.917 0.208 2.163) 10.153 12.090 ( -8.285 -0.655 -0.885) 8.357 12.090 ( -8.285 -0.655 0.885) 8.357 12.193 ( -0.086 7.940 -1.101) 8.017 12.193 ( -0.086 7.940 1.101) 8.017 12.706 ( 7.182 8.939 -3.953) 12.129 12.706 ( 7.182 8.939 3.953) 12.129 12.929 ( -8.179 8.506 -2.696) 12.104 12.929 ( -8.179 8.506 2.696) 12.104 13.295 ( 1.033 9.445 -1.253) 9.584 13.295 ( 1.033 9.445 1.253) 9.584 13.763 ( 7.715 -12.361 -3.420) 14.967 13.763 ( 7.715 -12.361 3.420) 14.967 13.933 ( -7.195 -10.801 -3.686) 13.491 13.933 ( -7.195 -10.801 3.686) 13.491 14.238 ( -0.032 -8.823 -0.289) 8.828 14.238 ( -0.032 -8.823 0.289) 8.828 16.371 ( 1.545 -6.524 -1.337) 6.837 16.371 ( 1.545 -6.524 1.337) 6.837 16.698 ( 0.459 -3.229 -1.894) 3.771 16.698 ( 0.459 -3.229 1.894) 3.771 17.249 ( -1.281 -13.023 -0.482) 13.095 17.249 ( -1.281 -13.023 0.482) 13.095 17.437 ( 0.869 -16.633 -0.149) 16.657 17.437 ( 0.869 -16.633 0.149) 16.657 ======================= Grid point 200 (64/72) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 0.000 11.482 -1.175) 11.542 2.395 ( 0.000 11.482 1.175) 11.542 2.691 ( 0.000 5.704 -1.564) 5.915 2.691 ( 0.000 5.704 1.564) 5.915 2.791 ( 0.000 0.982 -1.499) 1.792 2.791 ( 0.000 0.982 1.499) 1.792 2.942 ( 0.000 9.412 -2.052) 9.633 2.942 ( 0.000 9.412 2.052) 9.633 3.208 ( 0.000 10.537 -5.028) 11.675 3.208 ( 0.000 10.537 5.028) 11.675 3.504 ( 0.000 -2.802 -5.362) 6.050 3.504 ( 0.000 -2.802 5.362) 6.050 3.844 ( 0.000 -0.550 -6.380) 6.403 3.844 ( 0.000 -0.550 6.380) 6.403 4.034 ( 0.000 -1.613 -1.980) 2.554 4.034 ( 0.000 -1.613 1.980) 2.554 4.249 ( 0.000 -1.772 -9.312) 9.479 4.249 ( 0.000 -1.772 9.312) 9.479 4.443 ( 0.000 0.886 -5.307) 5.381 4.443 ( 0.000 0.886 5.307) 5.381 4.598 ( 0.000 3.610 -4.866) 6.059 4.598 ( 0.000 3.610 4.866) 6.059 4.981 ( 0.000 7.335 -8.171) 10.980 4.981 ( 0.000 7.335 8.171) 10.980 5.009 ( 0.000 3.399 -1.323) 3.647 5.009 ( 0.000 3.399 1.323) 3.647 5.179 ( 0.000 14.245 -3.371) 14.638 5.179 ( 0.000 14.245 3.371) 14.638 5.565 ( 0.000 21.779 -3.768) 22.102 5.565 ( 0.000 21.779 3.768) 22.102 5.630 ( 0.000 16.155 -7.350) 17.749 5.630 ( 0.000 16.155 7.350) 17.749 5.897 ( 0.000 13.780 -1.207) 13.832 5.897 ( 0.000 13.780 1.207) 13.832 6.037 ( 0.000 14.666 -0.586) 14.677 6.037 ( 0.000 14.666 0.586) 14.677 6.727 ( 0.000 2.579 -0.953) 2.749 6.727 ( 0.000 2.579 0.953) 2.749 7.143 ( 0.000 2.408 -4.190) 4.833 7.143 ( 0.000 2.408 4.190) 4.833 8.332 ( 0.000 -1.431 -3.909) 4.163 8.332 ( 0.000 -1.431 3.909) 4.163 8.394 ( 0.000 -3.548 -6.537) 7.437 8.394 ( 0.000 -3.548 6.537) 7.437 9.249 ( 0.000 7.368 -1.903) 7.610 9.249 ( 0.000 7.368 1.903) 7.610 9.855 ( 0.000 -1.239 -1.141) 1.684 9.855 ( 0.000 -1.239 1.141) 1.684 10.307 ( 0.000 1.405 -5.554) 5.729 10.307 ( 0.000 1.405 5.554) 5.729 10.512 ( 0.000 -3.955 -3.005) 4.967 10.512 ( 0.000 -3.955 3.005) 4.967 10.633 ( 0.000 -1.286 -6.333) 6.462 10.633 ( 0.000 -1.286 6.333) 6.462 11.041 ( 0.000 5.562 -1.107) 5.671 11.041 ( 0.000 5.562 1.107) 5.671 11.419 ( 0.000 10.999 -3.447) 11.526 11.419 ( 0.000 10.999 3.447) 11.526 12.162 ( 0.000 -3.522 -4.576) 5.775 12.162 ( 0.000 -3.522 4.576) 5.775 12.282 ( 0.000 1.950 -4.372) 4.787 12.282 ( 0.000 1.950 4.372) 4.787 12.526 ( 0.000 2.030 -3.729) 4.246 12.526 ( 0.000 2.030 3.729) 4.246 12.708 ( 0.000 -0.481 -5.413) 5.435 12.708 ( 0.000 -0.481 5.413) 5.435 12.770 ( 0.000 -2.936 -0.034) 2.936 12.770 ( 0.000 -2.936 0.034) 2.936 13.285 ( 0.000 -0.965 -2.881) 3.038 13.285 ( 0.000 -0.965 2.881) 3.038 13.624 ( 0.000 -2.114 -1.059) 2.364 13.624 ( 0.000 -2.114 1.059) 2.364 13.883 ( 0.000 -5.043 -1.333) 5.217 13.883 ( 0.000 -5.043 1.333) 5.217 14.135 ( 0.000 -3.889 -3.242) 5.063 14.135 ( 0.000 -3.889 3.242) 5.063 16.217 ( 0.000 -2.109 -4.780) 5.225 16.217 ( 0.000 -2.109 4.780) 5.225 16.650 ( 0.000 -1.450 -5.479) 5.668 16.650 ( 0.000 -1.450 5.479) 5.668 17.041 ( 0.000 -15.229 -1.950) 15.353 17.041 ( 0.000 -15.229 1.950) 15.353 17.101 ( 0.000 -7.244 -1.852) 7.477 17.101 ( 0.000 -7.244 1.852) 7.477 ======================= Grid point 202 (65/72) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( 2.303 10.498 -1.355) 10.832 2.419 ( 2.303 10.498 1.355) 10.832 2.647 ( -3.264 6.184 -3.406) 7.778 2.647 ( -3.264 6.184 3.406) 7.778 2.807 ( 1.274 2.280 -1.517) 3.021 2.807 ( 1.274 2.280 1.517) 3.021 2.962 ( 0.363 6.060 -4.288) 7.433 2.962 ( 0.363 6.060 4.288) 7.433 3.230 ( 2.077 10.031 -4.032) 11.009 3.230 ( 2.077 10.031 4.032) 11.009 3.475 ( -1.323 -0.639 -6.068) 6.243 3.475 ( -1.323 -0.639 6.068) 6.243 3.803 ( -3.507 0.307 -3.006) 4.629 3.803 ( -3.507 0.307 3.006) 4.629 4.001 ( -3.562 -1.045 -2.484) 4.466 4.001 ( -3.562 -1.045 2.484) 4.466 4.288 ( 3.527 -2.239 -10.356) 11.167 4.288 ( 3.527 -2.239 10.356) 11.167 4.448 ( -0.044 0.812 -1.773) 1.950 4.448 ( -0.044 0.812 1.773) 1.950 4.592 ( 0.422 4.997 -5.802) 7.669 4.592 ( 0.422 4.997 5.802) 7.669 4.951 ( -3.227 8.866 -8.228) 12.518 4.951 ( -3.227 8.866 8.228) 12.518 5.063 ( 4.254 2.641 -1.088) 5.124 5.063 ( 4.254 2.641 1.088) 5.124 5.206 ( 3.402 12.600 -1.776) 13.172 5.206 ( 3.402 12.600 1.776) 13.172 5.530 ( -2.119 17.333 -4.386) 18.004 5.530 ( -2.119 17.333 4.386) 18.004 5.635 ( -1.422 15.516 -7.159) 17.147 5.635 ( -1.422 15.516 7.159) 17.147 5.895 ( 0.383 17.090 -3.544) 17.457 5.895 ( 0.383 17.090 3.544) 17.457 6.026 ( -1.001 15.929 -1.643) 16.045 6.026 ( -1.001 15.929 1.643) 16.045 6.765 ( 3.340 2.384 -0.897) 4.200 6.765 ( 3.340 2.384 0.897) 4.200 7.118 ( -2.326 2.506 -3.544) 4.925 7.118 ( -2.326 2.506 3.544) 4.925 8.305 ( -1.726 -2.070 -0.905) 2.843 8.305 ( -1.726 -2.070 0.905) 2.843 8.431 ( 2.669 -2.438 -3.255) 4.865 8.431 ( 2.669 -2.438 3.255) 4.865 9.314 ( 5.680 6.620 -3.163) 9.279 9.314 ( 5.680 6.620 3.163) 9.279 9.818 ( -3.566 1.546 -2.898) 4.848 9.818 ( -3.566 1.546 2.898) 4.848 10.363 ( 4.877 0.033 -5.402) 7.278 10.363 ( 4.877 0.033 5.402) 7.278 10.538 ( 2.043 -4.573 -1.603) 5.258 10.538 ( 2.043 -4.573 1.603) 5.258 10.692 ( 6.136 -2.067 -7.337) 9.786 10.692 ( 6.136 -2.067 7.337) 9.786 11.069 ( 2.737 4.431 -3.206) 6.115 11.069 ( 2.737 4.431 3.206) 6.115 11.421 ( -0.206 10.233 -3.720) 10.890 11.421 ( -0.206 10.233 3.720) 10.890 11.918 ( -17.442 -4.453 -4.301) 18.508 11.918 ( -17.442 -4.453 4.301) 18.508 12.283 ( -0.587 3.246 -0.782) 3.390 12.283 ( -0.587 3.246 0.782) 3.390 12.399 ( -12.389 1.744 -0.848) 12.539 12.399 ( -12.389 1.744 0.848) 12.539 12.749 ( 4.669 4.967 -7.587) 10.199 12.749 ( 4.669 4.967 7.587) 10.199 12.909 ( 9.654 -6.204 -4.456) 12.311 12.909 ( 9.654 -6.204 4.456) 12.311 13.363 ( 5.756 -1.294 -6.548) 8.814 13.363 ( 5.756 -1.294 6.548) 8.814 13.571 ( -4.096 -0.150 -1.474) 4.356 13.571 ( -4.096 -0.150 1.474) 4.356 13.835 ( -4.475 -6.275 -0.638) 7.734 13.835 ( -4.475 -6.275 0.638) 7.734 14.127 ( -0.654 -4.321 -2.830) 5.206 14.127 ( -0.654 -4.321 2.830) 5.206 16.238 ( 1.759 -2.479 -3.790) 4.859 16.238 ( 1.759 -2.479 3.790) 4.859 16.638 ( -0.866 -2.658 -4.409) 5.220 16.638 ( -0.866 -2.658 4.409) 5.220 17.050 ( -0.077 -11.758 -3.831) 12.366 17.050 ( -0.077 -11.758 3.831) 12.367 17.112 ( 1.585 -9.285 -3.311) 9.984 17.112 ( 1.585 -9.285 3.311) 9.984 ======================= Grid point 204 (66/72) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( 3.867 8.007 -1.481) 9.015 2.484 ( 3.867 8.007 1.481) 9.015 2.573 ( -3.947 6.791 -1.741) 8.046 2.573 ( -3.947 6.791 1.741) 8.046 2.850 ( 3.055 3.481 -2.140) 5.102 2.850 ( 3.055 3.481 2.140) 5.102 2.924 ( -3.495 4.171 -4.160) 6.849 2.924 ( -3.495 4.171 4.160) 6.849 3.272 ( 1.470 7.356 -1.951) 7.750 3.272 ( 1.470 7.356 1.951) 7.750 3.475 ( 0.365 2.149 -2.423) 3.260 3.475 ( 0.365 2.149 2.423) 3.260 3.770 ( 2.076 1.046 -1.640) 2.845 3.770 ( 2.076 1.046 1.640) 2.845 3.889 ( -6.767 1.146 -2.721) 7.383 3.889 ( -6.767 1.146 2.721) 7.383 4.350 ( 1.641 1.395 -7.988) 8.273 4.350 ( 1.641 1.395 7.988) 8.273 4.443 ( -0.110 -4.242 -6.001) 7.350 4.443 ( -0.110 -4.242 6.001) 7.350 4.633 ( 2.908 8.582 -3.502) 9.715 4.633 ( 2.908 8.582 3.502) 9.715 4.861 ( -4.372 7.980 -4.770) 10.274 4.861 ( -4.372 7.980 4.770) 10.274 5.140 ( 2.608 6.145 -0.835) 6.727 5.140 ( 2.608 6.145 0.835) 6.727 5.308 ( 4.882 6.461 -1.956) 8.331 5.308 ( 4.882 6.461 1.956) 8.331 5.497 ( -0.651 13.268 -2.103) 13.449 5.497 ( -0.651 13.268 2.103) 13.449 5.560 ( -4.619 14.251 -3.368) 15.355 5.560 ( -4.619 14.251 3.368) 15.355 5.917 ( 1.147 21.928 -1.737) 22.027 5.917 ( 1.147 21.928 1.737) 22.027 6.004 ( -0.862 17.192 -0.770) 17.231 6.004 ( -0.862 17.192 0.770) 17.231 6.837 ( 2.796 1.893 -0.464) 3.408 6.837 ( 2.796 1.893 0.464) 3.408 7.063 ( -2.264 2.927 -1.587) 4.026 7.063 ( -2.264 2.927 1.587) 4.026 8.279 ( -0.696 -1.856 -0.038) 1.983 8.279 ( -0.696 -1.856 0.038) 1.983 8.477 ( 1.423 -2.282 -1.083) 2.900 8.477 ( 1.423 -2.282 1.083) 2.900 9.438 ( 5.082 6.420 -3.447) 8.884 9.438 ( 5.082 6.420 3.447) 8.884 9.725 ( -4.372 4.081 -3.529) 6.945 9.725 ( -4.372 4.081 3.529) 6.945 10.464 ( 3.275 -2.536 -4.645) 6.224 10.464 ( 3.275 -2.536 4.645) 6.224 10.590 ( 2.943 -1.915 -3.211) 4.759 10.590 ( 2.943 -1.915 3.211) 4.759 10.839 ( 6.367 -4.364 -3.328) 8.405 10.839 ( 6.367 -4.364 3.328) 8.405 11.118 ( -0.508 -2.255 -3.903) 4.536 11.118 ( -0.508 -2.255 3.903) 4.536 11.415 ( 1.803 9.714 -2.021) 10.084 11.415 ( 1.803 9.714 2.021) 10.084 11.621 ( -9.777 -0.765 -2.326) 10.079 11.621 ( -9.777 -0.765 2.326) 10.079 12.104 ( -9.960 3.474 -0.451) 10.558 12.104 ( -9.960 3.474 0.451) 10.558 12.309 ( 0.091 2.083 -1.205) 2.408 12.309 ( 0.091 2.083 1.205) 2.408 12.855 ( 4.610 4.411 -4.598) 7.865 12.855 ( 4.610 4.411 4.598) 7.865 13.036 ( 1.631 0.374 -2.602) 3.093 13.036 ( 1.631 0.374 2.602) 3.093 13.421 ( -0.509 -2.371 -4.000) 4.678 13.421 ( -0.509 -2.371 4.000) 4.678 13.570 ( 5.577 -1.422 -2.604) 6.317 13.570 ( 5.577 -1.422 2.604) 6.317 13.714 ( -7.089 -6.601 -1.648) 9.825 13.714 ( -7.089 -6.601 1.648) 9.825 14.114 ( -0.404 -5.119 -1.190) 5.271 14.114 ( -0.404 -5.119 1.190) 5.271 16.270 ( 0.994 -3.174 -1.403) 3.610 16.270 ( 0.994 -3.174 1.403) 3.610 16.627 ( -0.223 -4.177 -1.698) 4.515 16.627 ( -0.223 -4.177 1.698) 4.515 17.037 ( -0.667 -7.950 -1.295) 8.082 17.037 ( -0.667 -7.950 1.295) 8.082 17.150 ( 1.326 -11.121 -0.969) 11.241 17.150 ( 1.326 -11.121 0.969) 11.241 ======================= Grid point 210 (67/72) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( 0.000 9.435 -0.884) 9.476 2.608 ( 0.000 9.435 0.884) 9.476 2.767 ( 0.000 2.912 -1.328) 3.201 2.767 ( 0.000 2.912 1.328) 3.201 2.803 ( 0.000 0.272 -2.036) 2.054 2.803 ( 0.000 0.272 2.036) 2.054 3.075 ( 0.000 1.514 -0.479) 1.588 3.075 ( 0.000 1.514 0.479) 1.588 3.416 ( 0.000 9.551 -5.174) 10.862 3.416 ( 0.000 9.551 5.174) 10.862 3.497 ( 0.000 3.838 -3.258) 5.035 3.497 ( 0.000 3.838 3.258) 5.035 3.811 ( 0.000 -2.613 -2.516) 3.627 3.811 ( 0.000 -2.613 2.516) 3.627 3.946 ( 0.000 -6.095 -4.202) 7.404 3.946 ( 0.000 -6.095 4.202) 7.404 4.181 ( 0.000 -3.677 -5.592) 6.693 4.181 ( 0.000 -3.677 5.592) 6.693 4.410 ( 0.000 -4.381 -0.804) 4.454 4.410 ( 0.000 -4.381 0.804) 4.454 4.595 ( 0.000 -0.625 -1.520) 1.643 4.595 ( 0.000 -0.625 1.520) 1.643 4.910 ( 0.000 -5.868 -0.578) 5.897 4.910 ( 0.000 -5.868 0.578) 5.897 5.199 ( 0.000 8.561 -1.671) 8.722 5.199 ( 0.000 8.561 1.671) 8.722 5.490 ( 0.000 13.272 -1.389) 13.344 5.490 ( 0.000 13.272 1.389) 13.344 5.857 ( 0.000 10.456 -0.282) 10.460 5.857 ( 0.000 10.456 0.282) 10.460 5.983 ( 0.000 14.719 -1.221) 14.769 5.983 ( 0.000 14.719 1.221) 14.769 6.192 ( 0.000 13.651 -0.707) 13.669 6.192 ( 0.000 13.651 0.707) 13.669 6.330 ( 0.000 12.534 -1.467) 12.619 6.330 ( 0.000 12.534 1.467) 12.619 6.786 ( 0.000 3.127 -0.472) 3.162 6.786 ( 0.000 3.127 0.472) 3.162 7.165 ( 0.000 -0.310 -3.625) 3.638 7.165 ( 0.000 -0.310 3.625) 3.638 8.291 ( 0.000 -0.706 -2.975) 3.057 8.291 ( 0.000 -0.706 2.975) 3.057 8.394 ( 0.000 1.216 -5.031) 5.176 8.394 ( 0.000 1.216 5.031) 5.176 9.399 ( 0.000 7.212 -1.894) 7.457 9.399 ( 0.000 7.212 1.894) 7.457 9.795 ( 0.000 -4.508 -1.195) 4.664 9.795 ( 0.000 -4.508 1.195) 4.664 10.331 ( 0.000 -0.262 -3.929) 3.938 10.331 ( 0.000 -0.262 3.929) 3.938 10.494 ( 0.000 2.055 -4.153) 4.634 10.494 ( 0.000 2.055 4.153) 4.634 10.650 ( 0.000 4.318 -5.279) 6.820 10.650 ( 0.000 4.318 5.279) 6.820 11.143 ( 0.000 4.214 -0.649) 4.264 11.143 ( 0.000 4.214 0.649) 4.264 11.587 ( 0.000 3.823 -4.947) 6.252 11.587 ( 0.000 3.823 4.947) 6.252 11.968 ( 0.000 -11.223 -5.008) 12.290 11.968 ( 0.000 -11.223 5.008) 12.290 12.211 ( 0.000 -5.842 -2.367) 6.304 12.211 ( 0.000 -5.842 2.367) 6.304 12.521 ( 0.000 -5.287 -5.607) 7.706 12.521 ( 0.000 -5.287 5.607) 7.706 12.700 ( 0.000 4.730 -2.514) 5.356 12.700 ( 0.000 4.730 2.514) 5.356 12.841 ( 0.000 4.059 -4.695) 6.206 12.841 ( 0.000 4.059 4.695) 6.206 13.144 ( 0.000 -9.475 -7.273) 11.945 13.144 ( 0.000 -9.475 7.273) 11.945 13.615 ( 0.000 -0.238 -7.071) 7.075 13.615 ( 0.000 -0.238 7.071) 7.075 13.858 ( 0.000 0.638 -1.528) 1.656 13.858 ( 0.000 0.638 1.528) 1.656 14.086 ( 0.000 -0.674 -4.668) 4.716 14.086 ( 0.000 -0.674 4.668) 4.716 16.211 ( 0.000 1.226 -4.457) 4.623 16.211 ( 0.000 1.226 4.457) 4.623 16.595 ( 0.000 -4.491 -4.113) 6.090 16.595 ( 0.000 -4.491 4.113) 6.090 16.808 ( 0.000 -7.086 -2.098) 7.390 16.808 ( 0.000 -7.086 2.098) 7.390 17.008 ( 0.000 -2.399 -1.855) 3.033 17.008 ( 0.000 -2.399 1.855) 3.033 ======================= Grid point 212 (68/72) ======================= q-point: ( 0.20 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( 0.610 8.838 -0.488) 8.872 2.616 ( 0.610 8.838 0.488) 8.872 2.736 ( -2.119 3.266 -1.419) 4.144 2.736 ( -2.119 3.266 1.419) 4.144 2.827 ( 1.706 0.152 -3.285) 3.705 2.827 ( 1.706 0.152 3.285) 3.705 3.031 ( -3.755 -0.251 -2.169) 4.344 3.031 ( -3.755 -0.251 2.169) 4.344 3.436 ( 0.590 8.980 -3.956) 9.831 3.436 ( 0.590 8.980 3.956) 9.831 3.507 ( 2.139 5.233 -4.456) 7.199 3.507 ( 2.139 5.233 4.456) 7.199 3.792 ( -1.907 -1.578 -1.646) 2.972 3.792 ( -1.907 -1.578 1.646) 2.972 3.955 ( 0.333 -3.032 -1.466) 3.384 3.955 ( 0.333 -3.032 1.466) 3.384 4.194 ( 1.755 -5.160 -5.994) 8.101 4.194 ( 1.755 -5.160 5.994) 8.101 4.388 ( -1.943 -5.953 -4.481) 7.701 4.388 ( -1.943 -5.953 4.481) 7.701 4.626 ( 2.804 0.638 -3.443) 4.486 4.626 ( 2.804 0.638 3.443) 4.486 4.923 ( 0.008 -6.282 -2.537) 6.774 4.923 ( 0.008 -6.282 2.537) 6.774 5.216 ( 2.348 8.725 -0.603) 9.055 5.216 ( 2.348 8.725 0.603) 9.055 5.486 ( -0.554 12.165 -1.277) 12.244 5.486 ( -0.554 12.165 1.277) 12.244 5.801 ( -3.800 10.757 -0.540) 11.421 5.801 ( -3.800 10.757 0.540) 11.421 5.945 ( -3.959 12.828 -2.907) 13.736 5.945 ( -3.959 12.828 2.907) 13.736 6.234 ( 3.594 14.810 -2.654) 15.469 6.234 ( 3.594 14.810 2.654) 15.469 6.347 ( 0.985 13.730 -1.743) 13.875 6.347 ( 0.985 13.730 1.743) 13.875 6.821 ( 3.200 2.985 -0.881) 4.464 6.821 ( 3.200 2.985 0.881) 4.464 7.142 ( -2.166 -0.152 -3.051) 3.745 7.142 ( -2.166 -0.152 3.051) 3.745 8.282 ( -0.685 0.284 -1.882) 2.023 8.282 ( -0.685 0.284 1.882) 2.023 8.415 ( 1.664 -0.105 -3.528) 3.903 8.415 ( 1.664 -0.105 3.528) 3.903 9.460 ( 5.612 7.676 -2.539) 9.842 9.460 ( 5.612 7.676 2.539) 9.842 9.821 ( 1.713 -1.565 -2.062) 3.104 9.821 ( 1.713 -1.565 2.062) 3.104 10.368 ( 3.228 -1.424 -4.070) 5.387 10.368 ( 3.228 -1.424 4.070) 5.387 10.493 ( -0.050 2.064 -2.985) 3.629 10.493 ( -0.050 2.064 2.985) 3.629 10.669 ( 2.822 0.382 -3.459) 4.480 10.669 ( 2.822 0.382 3.459) 4.480 11.126 ( -2.976 0.341 -3.304) 4.459 11.126 ( -2.976 0.341 3.304) 4.459 11.556 ( -2.966 1.704 -4.782) 5.879 11.556 ( -2.966 1.704 4.782) 5.879 11.832 ( -8.092 -0.728 -3.728) 8.939 11.832 ( -8.092 -0.728 3.728) 8.939 12.238 ( 0.634 -6.128 -2.697) 6.725 12.238 ( 0.634 -6.128 2.697) 6.725 12.438 ( -10.276 0.127 -3.620) 10.895 12.438 ( -10.276 0.127 3.620) 10.895 12.709 ( 5.474 -4.177 -6.134) 9.222 12.709 ( 5.474 -4.177 6.134) 9.222 12.914 ( 4.116 3.061 -7.232) 8.867 12.914 ( 4.116 3.061 7.232) 8.867 13.211 ( 5.277 -8.945 -10.533) 14.793 13.211 ( 5.277 -8.945 10.533) 14.793 13.625 ( 0.497 2.744 -5.225) 5.922 13.625 ( 0.497 2.744 5.225) 5.922 13.797 ( -4.918 0.062 -3.284) 5.914 13.797 ( -4.918 0.062 3.284) 5.914 14.061 ( -2.286 -1.713 -4.615) 5.428 14.061 ( -2.286 -1.713 4.615) 5.428 16.225 ( 1.182 0.952 -3.395) 3.719 16.225 ( 1.182 0.952 3.395) 3.719 16.561 ( -2.481 -4.994 -2.924) 6.296 16.561 ( -2.481 -4.994 2.924) 6.296 16.855 ( 3.639 -6.276 -3.252) 7.950 16.855 ( 3.639 -6.276 3.252) 7.950 17.008 ( -0.095 -2.461 -2.410) 3.446 17.008 ( -0.095 -2.461 2.410) 3.446 ======================= Grid point 214 (69/72) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 1.060 6.655 -1.050) 6.820 2.633 ( 1.060 6.655 1.050) 6.820 2.691 ( -1.999 4.976 -0.698) 5.408 2.691 ( -1.999 4.976 0.698) 5.408 2.873 ( 2.809 -0.482 -3.722) 4.688 2.873 ( 2.809 -0.482 3.722) 4.688 2.951 ( -3.697 -1.219 -2.933) 4.874 2.951 ( -3.697 -1.219 2.933) 4.874 3.442 ( 0.428 7.981 -2.082) 8.259 3.442 ( 0.428 7.981 2.082) 8.259 3.540 ( -0.069 4.035 -0.720) 4.099 3.540 ( -0.069 4.035 0.720) 4.099 3.790 ( 2.376 1.456 -1.206) 3.036 3.790 ( 2.376 1.456 1.206) 3.036 3.922 ( -3.118 2.213 -0.383) 3.842 3.922 ( -3.118 2.213 0.383) 3.842 4.255 ( 3.424 -7.794 -7.091) 11.079 4.255 ( 3.424 -7.794 7.091) 11.079 4.341 ( -2.482 -5.925 -7.538) 9.904 4.341 ( -2.482 -5.925 7.538) 9.904 4.695 ( 3.252 -0.087 -3.386) 4.696 4.695 ( 3.252 -0.087 3.386) 4.696 4.883 ( -2.984 -4.224 -3.694) 6.355 4.883 ( -2.984 -4.224 3.694) 6.355 5.303 ( 5.252 8.567 -0.411) 10.057 5.303 ( 5.252 8.567 0.411) 10.057 5.448 ( -3.383 7.767 -1.184) 8.554 5.448 ( -3.383 7.767 1.184) 8.554 5.766 ( 1.205 11.790 -0.948) 11.890 5.766 ( 1.205 11.790 0.948) 11.890 5.845 ( -5.029 11.964 -1.615) 13.079 5.845 ( -5.029 11.964 1.615) 13.079 6.307 ( 3.054 15.676 -1.708) 16.062 6.307 ( 3.054 15.676 1.708) 16.062 6.350 ( -0.820 14.978 -1.289) 15.055 6.350 ( -0.820 14.978 1.289) 15.055 6.893 ( 2.926 3.315 -0.733) 4.482 6.893 ( 2.926 3.315 0.733) 4.482 7.090 ( -2.285 -0.273 -1.440) 2.714 7.090 ( -2.285 -0.273 1.440) 2.714 8.270 ( -0.337 1.126 -0.568) 1.305 8.270 ( -0.337 1.126 0.568) 1.305 8.445 ( 0.948 -1.482 -1.188) 2.123 8.445 ( 0.948 -1.482 1.188) 2.123 9.593 ( 5.982 8.678 -2.813) 10.909 9.593 ( 5.982 8.678 2.813) 10.909 9.813 ( -2.624 4.229 -3.001) 5.812 9.813 ( -2.624 4.229 3.001) 5.812 10.453 ( 3.066 0.512 -4.300) 5.305 10.453 ( 3.066 0.512 4.300) 5.305 10.523 ( 4.761 -3.430 -4.168) 7.198 10.523 ( 4.761 -3.430 4.168) 7.198 10.731 ( 0.355 -5.758 -3.210) 6.601 10.731 ( 0.355 -5.758 3.210) 6.601 10.997 ( -6.868 -9.065 -3.256) 11.830 10.997 ( -6.868 -9.065 3.256) 11.830 11.528 ( 1.207 2.585 -4.165) 5.049 11.528 ( 1.207 2.585 4.165) 5.049 11.715 ( -4.097 9.900 -2.076) 10.914 11.715 ( -4.097 9.900 2.076) 10.914 12.215 ( -3.825 4.243 -5.343) 7.822 12.215 ( -3.825 4.243 5.343) 7.822 12.262 ( -2.729 -4.425 -6.112) 8.024 12.262 ( -2.729 -4.425 6.112) 8.024 12.819 ( 3.541 -7.322 -4.005) 9.066 12.819 ( 3.541 -7.322 4.005) 9.066 12.974 ( 1.447 -5.315 -3.201) 6.371 12.974 ( 1.447 -5.315 3.201) 6.371 13.320 ( 4.675 -2.264 -4.401) 6.808 13.320 ( 4.675 -2.264 4.401) 6.808 13.577 ( -4.719 0.939 -1.129) 4.942 13.577 ( -4.719 0.939 1.129) 4.942 13.748 ( 0.531 4.631 -5.434) 7.159 13.748 ( 0.531 4.631 5.434) 7.159 14.010 ( -2.013 -4.734 -2.787) 5.851 14.010 ( -2.013 -4.734 2.787) 5.851 16.247 ( 0.693 0.749 -1.171) 1.554 16.247 ( 0.693 0.749 1.171) 1.554 16.521 ( -1.137 -6.022 -1.053) 6.218 16.521 ( -1.137 -6.022 1.053) 6.218 16.922 ( 2.266 -3.568 -2.688) 5.008 16.922 ( 2.266 -3.568 2.688) 5.008 17.001 ( -0.489 -3.986 -2.200) 4.579 17.001 ( -0.489 -3.986 2.200) 4.579 ======================= Grid point 220 (70/72) ======================= q-point: ( 0.00 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( 0.000 2.822 -0.178) 2.828 2.743 ( 0.000 2.822 0.178) 2.828 2.803 ( 0.000 -0.093 -1.296) 1.299 2.803 ( 0.000 -0.093 1.296) 1.299 2.857 ( 0.000 6.900 -2.638) 7.387 2.857 ( 0.000 6.900 2.638) 7.387 3.007 ( 0.000 -6.647 -1.164) 6.748 3.007 ( 0.000 -6.647 1.164) 6.748 3.586 ( 0.000 7.176 -3.921) 8.178 3.586 ( 0.000 7.176 3.921) 8.178 3.640 ( 0.000 8.205 -2.708) 8.641 3.640 ( 0.000 8.205 2.708) 8.641 3.738 ( 0.000 -4.389 -2.725) 5.166 3.738 ( 0.000 -4.389 2.725) 5.166 3.808 ( 0.000 -7.372 -4.994) 8.904 3.808 ( 0.000 -7.372 4.994) 8.904 4.132 ( 0.000 -0.969 -1.546) 1.825 4.132 ( 0.000 -0.969 1.546) 1.825 4.308 ( 0.000 -3.878 -0.553) 3.917 4.308 ( 0.000 -3.878 0.553) 3.917 4.616 ( 0.000 1.902 -0.327) 1.930 4.616 ( 0.000 1.902 0.327) 1.930 4.795 ( 0.000 -4.391 -0.931) 4.488 4.795 ( 0.000 -4.391 0.931) 4.488 5.322 ( 0.000 3.211 -0.293) 3.224 5.322 ( 0.000 3.211 0.293) 3.224 5.673 ( 0.000 4.646 -0.451) 4.668 5.673 ( 0.000 4.646 0.451) 4.668 6.006 ( 0.000 3.904 -0.197) 3.909 6.006 ( 0.000 3.904 0.197) 3.909 6.179 ( 0.000 4.774 -0.108) 4.775 6.179 ( 0.000 4.774 0.108) 4.775 6.396 ( 0.000 5.566 -0.008) 5.566 6.396 ( 0.000 5.566 0.008) 5.566 6.505 ( 0.000 4.390 -1.272) 4.570 6.505 ( 0.000 4.390 1.272) 4.570 6.840 ( 0.000 1.713 -0.046) 1.714 6.840 ( 0.000 1.713 0.046) 1.714 7.146 ( 0.000 -0.949 -1.531) 1.801 7.146 ( 0.000 -0.949 1.531) 1.801 8.305 ( 0.000 1.258 -0.756) 1.468 8.305 ( 0.000 1.258 0.756) 1.468 8.406 ( 0.000 -0.075 -2.287) 2.288 8.406 ( 0.000 -0.075 2.287) 2.288 9.536 ( 0.000 6.123 -0.999) 6.204 9.536 ( 0.000 6.123 0.999) 6.204 9.687 ( 0.000 -5.595 -0.296) 5.602 9.687 ( 0.000 -5.595 0.296) 5.602 10.321 ( 0.000 -0.217 -1.150) 1.170 10.321 ( 0.000 -0.217 1.150) 1.170 10.519 ( 0.000 0.307 -1.129) 1.170 10.519 ( 0.000 0.307 1.129) 1.170 10.818 ( 0.000 9.388 -7.168) 11.812 10.818 ( 0.000 9.388 7.168) 11.812 11.170 ( 0.000 -2.647 -7.421) 7.879 11.170 ( 0.000 -2.647 7.421) 7.879 11.533 ( 0.000 -4.427 -1.589) 4.704 11.533 ( 0.000 -4.427 1.589) 4.704 11.870 ( 0.000 -0.483 -3.720) 3.751 11.870 ( 0.000 -0.483 3.720) 3.751 12.120 ( 0.000 -2.005 -0.309) 2.029 12.120 ( 0.000 -2.005 0.309) 2.029 12.390 ( 0.000 -5.275 -2.126) 5.687 12.390 ( 0.000 -5.275 2.126) 5.687 12.815 ( 0.000 5.418 -4.533) 7.064 12.815 ( 0.000 5.418 4.533) 7.064 12.900 ( 0.000 1.877 -5.497) 5.809 12.900 ( 0.000 1.877 5.497) 5.809 12.980 ( 0.000 -6.507 -10.850) 12.652 12.980 ( 0.000 -6.507 10.850) 12.652 13.595 ( 0.000 -1.088 -3.961) 4.107 13.595 ( 0.000 -1.088 3.961) 4.107 13.875 ( 0.000 0.699 -0.063) 0.702 13.875 ( 0.000 0.699 0.063) 0.702 14.089 ( 0.000 0.346 -1.333) 1.378 14.089 ( 0.000 0.346 1.333) 1.378 16.247 ( 0.000 1.662 -2.198) 2.755 16.247 ( 0.000 1.662 2.198) 2.755 16.497 ( 0.000 -3.644 -0.512) 3.680 16.497 ( 0.000 -3.644 0.512) 3.680 16.738 ( 0.000 -1.118 -0.286) 1.154 16.738 ( 0.000 -1.118 0.286) 1.154 16.984 ( 0.000 -0.389 -0.757) 0.851 16.984 ( 0.000 -0.389 0.757) 0.851 ======================= Grid point 222 (71/72) ======================= q-point: ( 0.20 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( 0.308 2.887 -0.873) 3.032 2.748 ( 0.308 2.887 0.873) 3.032 2.803 ( -0.733 2.176 -0.500) 2.350 2.803 ( -0.733 2.176 0.500) 2.350 2.838 ( -0.644 3.652 -1.847) 4.143 2.838 ( -0.644 3.652 1.847) 4.143 2.961 ( -3.648 -5.805 -0.361) 6.865 2.961 ( -3.648 -5.805 0.361) 6.865 3.574 ( -1.003 5.884 -5.786) 8.313 3.574 ( -1.003 5.884 5.786) 8.313 3.646 ( -1.233 3.060 -1.672) 3.699 3.646 ( -1.233 3.060 1.672) 3.699 3.757 ( 3.639 1.260 -4.953) 6.274 3.757 ( 3.639 1.260 4.953) 6.274 3.871 ( 5.000 -5.703 -3.572) 8.384 3.871 ( 5.000 -5.703 3.572) 8.384 4.138 ( 0.179 0.107 -0.983) 1.005 4.138 ( 0.179 0.107 0.983) 1.005 4.259 ( -3.371 -5.350 -2.620) 6.845 4.259 ( -3.371 -5.350 2.620) 6.845 4.658 ( 2.831 2.465 -1.319) 3.979 4.658 ( 2.831 2.465 1.319) 3.979 4.794 ( -0.291 -5.291 -1.203) 5.434 4.794 ( -0.291 -5.291 1.203) 5.434 5.342 ( 2.412 3.321 -0.090) 4.105 5.342 ( 2.412 3.321 0.090) 4.105 5.656 ( -2.112 4.341 -0.443) 4.848 5.656 ( -2.112 4.341 0.443) 4.848 5.956 ( -3.317 4.074 -0.079) 5.254 5.956 ( -3.317 4.074 0.079) 5.254 6.121 ( -4.921 4.411 -0.811) 6.658 6.121 ( -4.921 4.411 0.811) 6.658 6.448 ( 4.162 5.729 -0.916) 7.140 6.448 ( 4.162 5.729 0.916) 7.140 6.539 ( 2.292 4.899 -1.076) 5.515 6.539 ( 2.292 4.899 1.076) 5.515 6.871 ( 3.011 1.509 -0.349) 3.386 6.871 ( 3.011 1.509 0.349) 3.386 7.126 ( -1.961 -0.805 -1.349) 2.513 7.126 ( -1.961 -0.805 1.349) 2.513 8.312 ( 0.530 1.966 -0.778) 2.180 8.312 ( 0.530 1.966 0.778) 2.180 8.402 ( -0.294 -1.147 -2.060) 2.376 8.402 ( -0.294 -1.147 2.060) 2.376 9.616 ( 6.967 7.436 -1.217) 10.263 9.616 ( 6.967 7.436 1.217) 10.263 9.751 ( 5.971 -5.254 -0.379) 7.963 9.751 ( 5.971 -5.254 0.379) 7.963 10.328 ( 0.620 -1.234 -1.176) 1.814 10.328 ( 0.620 -1.234 1.176) 1.814 10.546 ( 2.358 0.986 -1.086) 2.777 10.546 ( 2.358 0.986 1.086) 2.777 10.752 ( -5.071 7.385 -5.545) 10.535 10.752 ( -5.071 7.385 5.545) 10.535 11.043 ( -12.118 -7.570 -7.283) 16.037 11.043 ( -12.118 -7.570 7.283) 16.037 11.569 ( 3.498 1.874 -5.498) 6.780 11.569 ( 3.498 1.874 5.498) 6.780 11.857 ( -1.005 -0.446 -2.738) 2.951 11.857 ( -1.005 -0.446 2.738) 2.951 12.138 ( 1.057 -0.912 -2.281) 2.674 12.138 ( 1.057 -0.912 2.281) 2.674 12.362 ( -3.183 -5.566 -1.487) 6.582 12.362 ( -3.183 -5.566 1.487) 6.582 12.713 ( -3.380 3.069 -3.604) 5.817 12.713 ( -3.380 3.069 3.604) 5.817 12.908 ( -2.796 -3.101 -3.565) 5.490 12.908 ( -2.796 -3.101 3.565) 5.490 13.112 ( 10.726 -0.933 -4.231) 11.568 13.112 ( 10.726 -0.933 4.231) 11.568 13.649 ( 4.442 -0.077 -3.078) 5.405 13.649 ( 4.442 -0.077 3.078) 5.405 13.798 ( -6.613 0.198 -0.707) 6.654 13.798 ( -6.613 0.198 0.707) 6.654 14.052 ( -3.604 0.135 -1.536) 3.920 14.052 ( -3.604 0.135 1.536) 3.920 16.259 ( 1.141 1.693 -1.657) 2.629 16.259 ( 1.141 1.693 1.657) 2.629 16.464 ( -2.809 -3.491 -0.565) 4.516 16.464 ( -2.809 -3.491 0.565) 4.516 16.787 ( 4.257 -1.265 -1.152) 4.589 16.787 ( 4.257 -1.265 1.152) 4.589 16.983 ( -0.340 -0.412 -0.868) 1.019 16.983 ( -0.340 -0.412 0.868) 1.019 ======================= Grid point 224 (72/72) ======================= q-point: ( 0.40 0.47 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( -0.473 4.008 -1.525) 4.315 2.746 ( -0.473 4.008 1.525) 4.315 2.777 ( -0.770 3.201 -2.550) 4.164 2.777 ( -0.770 3.201 2.550) 4.164 2.851 ( 1.129 -0.819 -2.198) 2.603 2.851 ( 1.129 -0.819 2.198) 2.603 2.896 ( -2.223 -3.663 -2.096) 4.770 2.896 ( -2.223 -3.663 2.096) 4.770 3.561 ( 0.052 3.916 -4.615) 6.053 3.561 ( 0.052 3.916 4.615) 6.053 3.599 ( -2.226 0.612 -2.094) 3.117 3.599 ( -2.226 0.612 2.094) 3.117 3.856 ( 4.224 5.149 -2.631) 7.161 3.856 ( 4.224 5.149 2.631) 7.161 3.949 ( 1.446 -1.367 -1.371) 2.416 3.949 ( 1.446 -1.367 1.371) 2.416 4.138 ( 0.365 -1.478 -1.317) 2.013 4.138 ( 0.365 -1.478 1.317) 2.013 4.208 ( -1.537 -6.349 -2.893) 7.145 4.208 ( -1.537 -6.349 2.893) 7.145 4.701 ( 1.337 1.561 -1.146) 2.353 4.701 ( 1.337 1.561 1.146) 2.353 4.776 ( -1.234 -5.014 -1.620) 5.412 4.776 ( -1.234 -5.014 1.620) 5.412 5.431 ( 6.150 3.437 -0.249) 7.050 5.431 ( 6.150 3.437 0.249) 7.050 5.570 ( -6.200 3.402 -0.447) 7.086 5.570 ( -6.200 3.402 0.447) 7.086 5.935 ( 1.762 4.392 -0.282) 4.741 5.935 ( 1.762 4.392 0.282) 4.741 6.012 ( -5.134 4.278 -0.546) 6.705 6.012 ( -5.134 4.278 0.546) 6.705 6.528 ( 3.133 5.765 -0.690) 6.597 6.528 ( 3.133 5.765 0.690) 6.597 6.564 ( -0.239 5.545 -0.680) 5.592 6.564 ( -0.239 5.545 0.680) 5.592 6.952 ( 4.301 1.991 -0.564) 4.772 6.952 ( 4.301 1.991 0.564) 4.772 7.067 ( -3.526 -1.298 -0.883) 3.860 7.067 ( -3.526 -1.298 0.883) 3.860 8.320 ( 0.205 3.443 -0.367) 3.468 8.320 ( 0.205 3.443 0.367) 3.468 8.399 ( 0.013 -3.117 -0.885) 3.240 8.399 ( 0.013 -3.117 0.885) 3.240 9.767 ( 6.513 7.583 -1.449) 10.100 9.767 ( 6.513 7.583 1.449) 10.100 9.866 ( 2.514 -0.117 -0.946) 2.689 9.866 ( 2.514 -0.117 0.946) 2.689 10.385 ( 7.347 -3.716 -0.569) 8.253 10.385 ( 7.347 -3.716 0.569) 8.253 10.584 ( -0.947 6.574 -3.155) 7.353 10.584 ( -0.947 6.574 3.155) 7.353 10.631 ( -8.219 -2.578 -0.900) 8.661 10.631 ( -8.219 -2.578 0.900) 8.661 10.787 ( -7.339 -10.596 -4.277) 13.581 10.787 ( -7.339 -10.596 4.277) 13.581 11.639 ( 2.344 8.330 -3.017) 9.164 11.639 ( 2.344 8.330 3.017) 9.164 11.838 ( -0.673 -2.774 -1.014) 3.029 11.838 ( -0.673 -2.774 1.014) 3.029 12.148 ( 0.032 2.200 -1.263) 2.537 12.148 ( 0.032 2.200 1.263) 2.537 12.285 ( -2.861 -3.115 -0.538) 4.264 12.285 ( -2.861 -3.115 0.538) 4.264 12.709 ( 1.727 -0.400 -2.633) 3.174 12.709 ( 1.727 -0.400 2.633) 3.174 12.837 ( -3.246 -6.720 -2.144) 7.765 12.837 ( -3.246 -6.720 2.144) 7.765 13.338 ( 10.846 1.931 -1.050) 11.066 13.338 ( 10.846 1.931 1.050) 11.066 13.587 ( -9.794 -0.254 -0.227) 9.800 13.587 ( -9.794 -0.254 0.227) 9.800 13.800 ( 6.324 0.703 -2.959) 7.017 13.800 ( 6.324 0.703 2.959) 7.017 13.951 ( -5.874 -0.992 -1.928) 6.261 13.951 ( -5.874 -0.992 1.928) 6.261 16.289 ( 1.436 2.888 -0.646) 3.290 16.289 ( 1.436 2.888 0.646) 3.290 16.405 ( -2.299 -4.786 -0.353) 5.321 16.405 ( -2.299 -4.786 0.353) 5.321 16.882 ( 4.457 -0.735 -1.231) 4.682 16.882 ( 4.457 -0.735 1.231) 4.682 16.958 ( -2.259 -0.823 -1.035) 2.618 16.958 ( -2.259 -0.823 1.035) 2.618 =================== 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 3/25200 10.0 6192.270 5969.162 4654.155 0.000 0.000 -0.000 3/25200 20.0 743.020 1131.368 770.345 0.000 0.000 -0.000 3/25200 30.0 218.703 396.076 230.297 0.000 0.000 -0.000 3/25200 40.0 101.332 212.283 108.644 0.000 0.000 -0.000 3/25200 50.0 60.112 140.057 65.397 0.000 0.000 0.000 3/25200 60.0 40.939 102.173 45.003 0.000 0.000 0.000 3/25200 70.0 30.285 78.839 33.531 0.000 0.000 0.000 3/25200 80.0 23.649 63.131 26.308 0.000 0.000 0.000 3/25200 90.0 19.190 51.977 21.409 0.000 0.000 0.000 3/25200 100.0 16.029 43.761 17.909 0.000 0.000 0.000 3/25200 110.0 13.697 37.538 15.310 0.000 0.000 0.000 3/25200 120.0 11.920 32.714 13.320 0.000 0.000 0.000 3/25200 130.0 10.532 28.897 11.759 0.000 0.000 0.000 3/25200 140.0 9.422 25.825 10.508 0.000 0.000 0.000 3/25200 150.0 8.519 23.311 9.488 0.000 0.000 0.000 3/25200 160.0 7.771 21.226 8.643 0.000 0.000 0.000 3/25200 170.0 7.144 19.474 7.933 0.000 0.000 0.000 3/25200 180.0 6.610 17.984 7.330 0.000 0.000 0.000 3/25200 190.0 6.151 16.704 6.811 0.000 0.000 0.000 3/25200 200.0 5.753 15.595 6.361 0.000 0.000 0.000 3/25200 210.0 5.404 14.624 5.968 0.000 0.000 0.000 3/25200 220.0 5.096 13.769 5.620 0.000 0.000 0.000 3/25200 230.0 4.822 13.010 5.312 0.000 0.000 0.000 3/25200 240.0 4.576 12.332 5.036 0.000 0.000 0.000 3/25200 250.0 4.356 11.723 4.789 0.000 0.000 0.000 3/25200 260.0 4.156 11.172 4.565 0.000 0.000 0.000 3/25200 270.0 3.974 10.673 4.361 0.000 0.000 0.000 3/25200 280.0 3.808 10.218 4.175 0.000 0.000 0.000 3/25200 290.0 3.656 9.801 4.006 0.000 0.000 0.000 3/25200 300.0 3.516 9.418 3.849 0.000 0.000 0.000 3/25200 310.0 3.386 9.064 3.705 0.000 0.000 0.000 3/25200 320.0 3.267 8.738 3.572 0.000 0.000 0.000 3/25200 330.0 3.155 8.434 3.448 0.000 0.000 0.000 3/25200 340.0 3.051 8.152 3.332 0.000 0.000 0.000 3/25200 350.0 2.954 7.889 3.225 0.000 0.000 0.000 3/25200 360.0 2.863 7.642 3.124 0.000 0.000 0.000 3/25200 370.0 2.778 7.411 3.030 0.000 0.000 0.000 3/25200 380.0 2.698 7.194 2.941 0.000 0.000 0.000 3/25200 390.0 2.622 6.990 2.858 0.000 0.000 0.000 3/25200 400.0 2.551 6.798 2.779 0.000 0.000 0.000 3/25200 410.0 2.484 6.616 2.704 0.000 0.000 0.000 3/25200 420.0 2.420 6.443 2.634 0.000 0.000 0.000 3/25200 430.0 2.359 6.280 2.567 0.000 0.000 0.000 3/25200 440.0 2.302 6.125 2.504 0.000 0.000 0.000 3/25200 450.0 2.247 5.978 2.444 0.000 0.000 0.000 3/25200 460.0 2.195 5.838 2.386 0.000 0.000 0.000 3/25200 470.0 2.145 5.705 2.332 0.000 0.000 0.000 3/25200 480.0 2.097 5.577 2.280 0.000 0.000 0.000 3/25200 490.0 2.052 5.455 2.230 0.000 0.000 0.000 3/25200 500.0 2.009 5.339 2.182 0.000 0.000 0.000 3/25200 510.0 1.967 5.228 2.137 0.000 0.000 0.000 3/25200 520.0 1.927 5.121 2.093 0.000 0.000 0.000 3/25200 530.0 1.889 5.019 2.051 0.000 0.000 0.000 3/25200 540.0 1.852 4.920 2.011 0.000 0.000 0.000 3/25200 550.0 1.817 4.826 1.972 0.000 0.000 0.000 3/25200 560.0 1.783 4.735 1.935 0.000 0.000 0.000 3/25200 570.0 1.751 4.648 1.900 0.000 0.000 0.000 3/25200 580.0 1.719 4.564 1.865 0.000 0.000 0.000 3/25200 590.0 1.689 4.483 1.832 0.000 0.000 0.000 3/25200 600.0 1.659 4.405 1.800 0.000 0.000 0.000 3/25200 610.0 1.631 4.329 1.769 0.000 0.000 0.000 3/25200 620.0 1.604 4.256 1.739 0.000 0.000 0.000 3/25200 630.0 1.577 4.186 1.710 0.000 0.000 0.000 3/25200 640.0 1.552 4.118 1.683 0.000 0.000 0.000 3/25200 650.0 1.527 4.052 1.656 0.000 0.000 0.000 3/25200 660.0 1.503 3.988 1.630 0.000 0.000 0.000 3/25200 670.0 1.480 3.926 1.604 0.000 0.000 0.000 3/25200 680.0 1.458 3.867 1.580 0.000 0.000 0.000 3/25200 690.0 1.436 3.808 1.556 0.000 0.000 0.000 3/25200 700.0 1.415 3.752 1.533 0.000 0.000 0.000 3/25200 710.0 1.394 3.698 1.511 0.000 0.000 0.000 3/25200 720.0 1.374 3.645 1.489 0.000 0.000 0.000 3/25200 730.0 1.355 3.593 1.468 0.000 0.000 0.000 3/25200 740.0 1.336 3.543 1.448 0.000 0.000 0.000 3/25200 750.0 1.318 3.494 1.428 0.000 0.000 0.000 3/25200 760.0 1.300 3.447 1.408 0.000 0.000 0.000 3/25200 770.0 1.283 3.401 1.390 0.000 0.000 0.000 3/25200 780.0 1.266 3.356 1.371 0.000 0.000 0.000 3/25200 790.0 1.250 3.313 1.353 0.000 0.000 0.000 3/25200 800.0 1.234 3.270 1.336 0.000 0.000 0.000 3/25200 810.0 1.218 3.229 1.319 0.000 0.000 0.000 3/25200 820.0 1.203 3.188 1.303 0.000 0.000 0.000 3/25200 830.0 1.188 3.149 1.286 0.000 0.000 0.000 3/25200 840.0 1.174 3.111 1.271 0.000 0.000 0.000 3/25200 850.0 1.160 3.073 1.255 0.000 0.000 0.000 3/25200 860.0 1.146 3.037 1.241 0.000 0.000 0.000 3/25200 870.0 1.132 3.001 1.226 0.000 0.000 0.000 3/25200 880.0 1.119 2.966 1.212 0.000 0.000 0.000 3/25200 890.0 1.107 2.932 1.198 0.000 0.000 0.000 3/25200 900.0 1.094 2.899 1.184 0.000 0.000 0.000 3/25200 910.0 1.082 2.866 1.171 0.000 0.000 0.000 3/25200 920.0 1.070 2.835 1.158 0.000 0.000 0.000 3/25200 930.0 1.058 2.804 1.145 0.000 0.000 0.000 3/25200 940.0 1.047 2.773 1.133 0.000 0.000 0.000 3/25200 950.0 1.036 2.743 1.121 0.000 0.000 0.000 3/25200 960.0 1.025 2.714 1.109 0.000 0.000 0.000 3/25200 970.0 1.014 2.686 1.097 0.000 0.000 0.000 3/25200 980.0 1.003 2.658 1.086 0.000 0.000 0.000 3/25200 990.0 0.993 2.631 1.075 0.000 0.000 0.000 3/25200 1000.0 0.983 2.604 1.064 0.000 0.000 0.000 3/25200 Thermal conductivity related properties were written into "kappa-m5154.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:55:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|