----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:26:34]------------------------- Compiled with OpenMP support (max 32 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I-4 (82) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -4.080401950000001 4.080401950000001 4.117205040000000 b 4.080401950000001 -4.080401950000001 4.117205040000000 c 4.080401950000001 4.080401950000001 -4.117205040000000 Atomic positions (fractional): *1 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 *2 Dy 0.00109167564364 0.88121342720873 0.61703462461060 162.500 3 Dy 0.61594294896696 0.99890832435636 0.88012175156509 162.500 4 Dy 0.26417880259813 0.38405705103304 0.38296537538940 162.500 *5 Dy 0.75000000000000 0.25000000000000 0.50000000000000 162.500 6 Dy 0.11878657279127 0.73582119740187 0.11987824843491 162.500 *7 S 0.86897198156415 0.47798946237284 0.25197140730408 32.065 *8 S 0.36705226975285 0.10750117870107 0.10676290954551 32.065 9 S 0.89249882129893 0.99926173084444 0.25955109105178 32.065 10 S 0.73971063979266 0.63294773024715 0.74044890894821 32.065 11 S 0.22601805506876 0.61700057426007 0.74802859269592 32.065 12 S 0.52201053762716 0.77398194493124 0.39098251919131 32.065 13 S 0.38299942573992 0.13102801843585 0.60901748080869 32.065 14 S 0.00073826915556 0.26028936020734 0.89323709045449 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.160803900000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.160803900000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.234410080000000 Atomic positions (fractional): *1 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 1 2 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 > 1 *3 Dy 0.24857818808784 0.36845643652275 0.63263523912089 162.500 > 2 4 Dy 0.13154356347725 0.74857818808784 0.86736476087911 162.500 > 3 5 Dy 0.75142181191216 0.63154356347725 0.63263523912089 162.500 > 4 *6 Dy 0.50000000000000 0.00000000000000 0.75000000000000 162.500 > 5 7 Dy 0.86845643652275 0.25142181191216 0.86736476087911 162.500 > 6 8 Dy 0.74857818808784 0.86845643652275 0.13263523912089 162.500 > 2 9 Dy 0.63154356347725 0.24857818808784 0.36736476087911 162.500 > 3 10 Dy 0.25142181191216 0.13154356347725 0.13263523912089 162.500 > 4 11 Dy 0.00000000000000 0.50000000000000 0.25000000000000 162.500 > 5 12 Dy 0.36845643652275 0.75142181191216 0.36736476087911 162.500 > 6 *13 S 0.93049444405638 0.32147696324769 0.54749501831646 32.065 > 7 *14 S 0.92360590924686 0.18315700029865 0.18389526945421 32.065 > 8 15 S 0.18315700029865 0.07639409075314 0.81610473054580 32.065 > 9 16 S 0.31684299970135 0.42360590924686 0.31610473054580 32.065 > 10 17 S 0.56950555594362 0.17852303675230 0.04749501831646 32.065 > 11 18 S 0.32147696324769 0.06950555594362 0.45250498168354 32.065 > 12 19 S 0.17852303675230 0.43049444405638 0.95250498168354 32.065 > 13 20 S 0.57639409075314 0.31684299970135 0.68389526945420 32.065 > 14 21 S 0.43049444405638 0.82147696324770 0.04749501831646 32.065 > 7 22 S 0.42360590924686 0.68315700029865 0.68389526945420 32.065 > 8 23 S 0.68315700029865 0.57639409075314 0.31610473054580 32.065 > 9 24 S 0.81684299970135 0.92360590924686 0.81610473054580 32.065 > 10 25 S 0.06950555594362 0.67852303675230 0.54749501831646 32.065 > 11 26 S 0.82147696324770 0.56950555594362 0.95250498168354 32.065 > 12 27 S 0.67852303675230 0.93049444405638 0.45250498168354 32.065 > 13 28 S 0.07639409075314 0.81684299970135 0.18389526945421 32.065 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.321607800000002 0.000000000000000 0.000000000000000 b 0.000000000000000 16.321607800000002 0.000000000000000 c 0.000000000000000 0.000000000000000 8.234410080000000 Atomic positions (fractional): *1 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 1 2 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 > 1 3 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 > 1 4 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 > 1 5 Ag 0.25000000000000 0.25000000000000 0.00000000000000 107.868 > 1 6 Ag 0.75000000000000 0.25000000000000 0.00000000000000 107.868 > 1 7 Ag 0.25000000000000 0.75000000000000 0.00000000000000 107.868 > 1 8 Ag 0.75000000000000 0.75000000000000 0.00000000000000 107.868 > 1 *9 Dy 0.12428909404392 0.18422821826138 0.63263523912089 162.500 > 2 10 Dy 0.62428909404392 0.18422821826138 0.63263523912089 162.500 > 2 11 Dy 0.12428909404392 0.68422821826138 0.63263523912089 162.500 > 2 12 Dy 0.62428909404392 0.68422821826138 0.63263523912089 162.500 > 2 13 Dy 0.06577178173862 0.37428909404392 0.86736476087911 162.500 > 3 14 Dy 0.56577178173862 0.37428909404392 0.86736476087911 162.500 > 3 15 Dy 0.06577178173862 0.87428909404392 0.86736476087911 162.500 > 3 16 Dy 0.56577178173862 0.87428909404392 0.86736476087911 162.500 > 3 17 Dy 0.37571090595608 0.31577178173862 0.63263523912089 162.500 > 4 18 Dy 0.87571090595608 0.31577178173862 0.63263523912089 162.500 > 4 19 Dy 0.37571090595608 0.81577178173862 0.63263523912089 162.500 > 4 20 Dy 0.87571090595608 0.81577178173862 0.63263523912089 162.500 > 4 *21 Dy 0.25000000000000 0.00000000000000 0.75000000000000 162.500 > 5 22 Dy 0.75000000000000 0.00000000000000 0.75000000000000 162.500 > 5 23 Dy 0.25000000000000 0.50000000000000 0.75000000000000 162.500 > 5 24 Dy 0.75000000000000 0.50000000000000 0.75000000000000 162.500 > 5 25 Dy 0.43422821826138 0.12571090595608 0.86736476087911 162.500 > 6 26 Dy 0.93422821826138 0.12571090595608 0.86736476087911 162.500 > 6 27 Dy 0.43422821826138 0.62571090595608 0.86736476087911 162.500 > 6 28 Dy 0.93422821826138 0.62571090595608 0.86736476087911 162.500 > 6 29 Dy 0.37428909404392 0.43422821826138 0.13263523912089 162.500 > 2 30 Dy 0.87428909404392 0.43422821826138 0.13263523912089 162.500 > 2 31 Dy 0.37428909404392 0.93422821826138 0.13263523912089 162.500 > 2 32 Dy 0.87428909404392 0.93422821826138 0.13263523912089 162.500 > 2 33 Dy 0.31577178173862 0.12428909404392 0.36736476087911 162.500 > 3 34 Dy 0.81577178173862 0.12428909404392 0.36736476087911 162.500 > 3 35 Dy 0.31577178173862 0.62428909404392 0.36736476087911 162.500 > 3 36 Dy 0.81577178173862 0.62428909404392 0.36736476087911 162.500 > 3 37 Dy 0.12571090595608 0.06577178173862 0.13263523912089 162.500 > 4 38 Dy 0.62571090595608 0.06577178173862 0.13263523912089 162.500 > 4 39 Dy 0.12571090595608 0.56577178173862 0.13263523912089 162.500 > 4 40 Dy 0.62571090595608 0.56577178173862 0.13263523912089 162.500 > 4 41 Dy 0.00000000000000 0.25000000000000 0.25000000000000 162.500 > 5 42 Dy 0.50000000000000 0.25000000000000 0.25000000000000 162.500 > 5 43 Dy 0.00000000000000 0.75000000000000 0.25000000000000 162.500 > 5 44 Dy 0.50000000000000 0.75000000000000 0.25000000000000 162.500 > 5 45 Dy 0.18422821826138 0.37571090595608 0.36736476087911 162.500 > 6 46 Dy 0.68422821826138 0.37571090595608 0.36736476087911 162.500 > 6 47 Dy 0.18422821826138 0.87571090595608 0.36736476087911 162.500 > 6 48 Dy 0.68422821826138 0.87571090595608 0.36736476087911 162.500 > 6 *49 S 0.46524722202819 0.16073848162385 0.54749501831646 32.065 > 7 50 S 0.96524722202819 0.16073848162385 0.54749501831646 32.065 > 7 51 S 0.46524722202819 0.66073848162385 0.54749501831646 32.065 > 7 52 S 0.96524722202819 0.66073848162385 0.54749501831646 32.065 > 7 *53 S 0.46180295462343 0.09157850014932 0.18389526945421 32.065 > 8 54 S 0.96180295462343 0.09157850014932 0.18389526945421 32.065 > 8 55 S 0.46180295462343 0.59157850014932 0.18389526945421 32.065 > 8 56 S 0.96180295462343 0.59157850014932 0.18389526945421 32.065 > 8 57 S 0.09157850014932 0.03819704537657 0.81610473054580 32.065 > 9 58 S 0.59157850014932 0.03819704537657 0.81610473054580 32.065 > 9 59 S 0.09157850014932 0.53819704537657 0.81610473054580 32.065 > 9 60 S 0.59157850014932 0.53819704537657 0.81610473054580 32.065 > 9 61 S 0.15842149985068 0.21180295462343 0.31610473054580 32.065 > 10 62 S 0.65842149985068 0.21180295462343 0.31610473054580 32.065 > 10 63 S 0.15842149985068 0.71180295462343 0.31610473054580 32.065 > 10 64 S 0.65842149985068 0.71180295462343 0.31610473054580 32.065 > 10 65 S 0.28475277797181 0.08926151837615 0.04749501831646 32.065 > 11 66 S 0.78475277797181 0.08926151837615 0.04749501831646 32.065 > 11 67 S 0.28475277797181 0.58926151837615 0.04749501831646 32.065 > 11 68 S 0.78475277797181 0.58926151837615 0.04749501831646 32.065 > 11 69 S 0.16073848162385 0.03475277797181 0.45250498168354 32.065 > 12 70 S 0.66073848162385 0.03475277797181 0.45250498168354 32.065 > 12 71 S 0.16073848162385 0.53475277797181 0.45250498168354 32.065 > 12 72 S 0.66073848162385 0.53475277797181 0.45250498168354 32.065 > 12 73 S 0.08926151837615 0.21524722202819 0.95250498168354 32.065 > 13 74 S 0.58926151837615 0.21524722202819 0.95250498168354 32.065 > 13 75 S 0.08926151837615 0.71524722202819 0.95250498168354 32.065 > 13 76 S 0.58926151837615 0.71524722202819 0.95250498168354 32.065 > 13 77 S 0.28819704537657 0.15842149985068 0.68389526945420 32.065 > 14 78 S 0.78819704537657 0.15842149985068 0.68389526945420 32.065 > 14 79 S 0.28819704537657 0.65842149985068 0.68389526945420 32.065 > 14 80 S 0.78819704537657 0.65842149985068 0.68389526945420 32.065 > 14 81 S 0.21524722202819 0.41073848162385 0.04749501831646 32.065 > 7 82 S 0.71524722202819 0.41073848162385 0.04749501831646 32.065 > 7 83 S 0.21524722202819 0.91073848162385 0.04749501831646 32.065 > 7 84 S 0.71524722202819 0.91073848162385 0.04749501831646 32.065 > 7 85 S 0.21180295462343 0.34157850014932 0.68389526945420 32.065 > 8 86 S 0.71180295462343 0.34157850014932 0.68389526945420 32.065 > 8 87 S 0.21180295462343 0.84157850014932 0.68389526945420 32.065 > 8 88 S 0.71180295462343 0.84157850014932 0.68389526945420 32.065 > 8 89 S 0.34157850014932 0.28819704537657 0.31610473054580 32.065 > 9 90 S 0.84157850014932 0.28819704537657 0.31610473054580 32.065 > 9 91 S 0.34157850014932 0.78819704537657 0.31610473054580 32.065 > 9 92 S 0.84157850014932 0.78819704537657 0.31610473054580 32.065 > 9 93 S 0.40842149985068 0.46180295462343 0.81610473054580 32.065 > 10 94 S 0.90842149985068 0.46180295462343 0.81610473054580 32.065 > 10 95 S 0.40842149985068 0.96180295462343 0.81610473054580 32.065 > 10 96 S 0.90842149985068 0.96180295462343 0.81610473054580 32.065 > 10 97 S 0.03475277797181 0.33926151837615 0.54749501831646 32.065 > 11 98 S 0.53475277797181 0.33926151837615 0.54749501831646 32.065 > 11 99 S 0.03475277797181 0.83926151837615 0.54749501831646 32.065 > 11 100 S 0.53475277797181 0.83926151837615 0.54749501831646 32.065 > 11 101 S 0.41073848162385 0.28475277797181 0.95250498168354 32.065 > 12 102 S 0.91073848162385 0.28475277797181 0.95250498168354 32.065 > 12 103 S 0.41073848162385 0.78475277797181 0.95250498168354 32.065 > 12 104 S 0.91073848162385 0.78475277797181 0.95250498168354 32.065 > 12 105 S 0.33926151837615 0.46524722202819 0.45250498168354 32.065 > 13 106 S 0.83926151837615 0.46524722202819 0.45250498168354 32.065 > 13 107 S 0.33926151837615 0.96524722202819 0.45250498168354 32.065 > 13 108 S 0.83926151837615 0.96524722202819 0.45250498168354 32.065 > 13 109 S 0.03819704537657 0.40842149985068 0.18389526945421 32.065 > 14 110 S 0.53819704537657 0.40842149985068 0.18389526945421 32.065 > 14 111 S 0.03819704537657 0.90842149985068 0.18389526945421 32.065 > 14 112 S 0.53819704537657 0.90842149985068 0.18389526945421 32.065 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.5080406 0.0000007 0.0000000 -0.0000007 9.5080406 0.0000000 0.0000000 0.0000000 9.2403029 -------------------------- Born effective charges -------------------------- 1 Ag 1.4226595 0.1450946 0.0000000 -0.1450946 1.4226595 0.0000000 0.0000000 0.0000000 1.2371399 2 Dy 4.0267202 -0.1009381 -0.0089947 -0.1368626 3.9716889 -0.0057261 -0.0605412 0.0247041 4.0010706 3 Dy 3.9716889 0.1368626 -0.0057261 0.1009381 4.0267202 0.0089947 0.0247041 0.0605412 4.0010706 4 Dy 4.0267202 -0.1009381 0.0089947 -0.1368626 3.9716889 0.0057261 0.0605412 -0.0247041 4.0010706 5 Dy 3.8083410 0.0794177 0.0000000 -0.0794177 3.8083410 0.0000000 0.0000000 0.0000000 4.1349872 6 Dy 3.9716889 0.1368626 0.0057261 0.1009381 4.0267202 -0.0089947 -0.0247041 -0.0605412 4.0010706 7 S -2.9529557 -0.0005847 -0.2287529 0.1057141 -2.0691371 0.3120429 -0.2625125 0.2719298 -2.9128467 8 S -2.8312318 -0.2908563 0.2017047 -0.2489746 -2.7605847 -0.0851962 0.4148420 -0.0783974 -2.4312557 9 S -2.7605847 0.2489746 0.0851962 0.2908563 -2.8312318 0.2017047 0.0783974 0.4148420 -2.4312557 10 S -2.7605847 0.2489746 -0.0851962 0.2908563 -2.8312318 -0.2017047 -0.0783974 -0.4148420 -2.4312557 11 S -2.9529557 -0.0005847 0.2287529 0.1057141 -2.0691371 -0.3120429 0.2625125 -0.2719298 -2.9128467 12 S -2.0691371 -0.1057141 -0.3120429 0.0005847 -2.9529557 -0.2287529 -0.2719298 -0.2625125 -2.9128467 13 S -2.0691371 -0.1057141 0.3120429 0.0005847 -2.9529557 0.2287529 0.2719298 0.2625125 -2.9128467 14 S -2.8312318 -0.2908563 -0.2017047 -0.2489746 -2.7605847 0.0851962 -0.4148420 0.0783974 -2.4312557 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 8844/8844 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1828 Number of blocks in projector: 1828 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 8 --- Eigsh_solver_block: 1 / 8 --- Block_size: 780 Use submatrix version of eigh solver. (1) Block: 500 / 780 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 780 / 780 (1) 268 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 8 --- Block_size: 436 Use standard eigh solver. --- Eigsh_solver_block: 3 / 8 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 4 / 8 --- Block_size: 220 Use standard eigh solver. --- Eigsh_solver_block: 5 / 8 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 8 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 8 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 8 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (1828, 1796), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (220, 215), data: True |-- (388, 381), data: True |-- (436, 428), data: True |-- (780, 768), data: False |-- (780, 12), data: (780, 24) @ (24, 12) |-- (280, 268), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 0.493 Solver_block: 200 / 480 - Time: 0.468 Solver_block: 300 / 480 - Time: 0.464 Solver_block: 400 / 480 - Time: 0.464 Solver_block: 480 / 480 - Time: 0.431 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.355 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 8844/8844 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1828 Number of blocks in projector: 1828 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 8 --- Eigsh_solver_block: 1 / 8 --- Block_size: 780 Use submatrix version of eigh solver. (1) Block: 500 / 780 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 780 / 780 (1) 268 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 8 --- Block_size: 436 Use standard eigh solver. --- Eigsh_solver_block: 3 / 8 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 4 / 8 --- Block_size: 220 Use standard eigh solver. --- Eigsh_solver_block: 5 / 8 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 8 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 8 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 8 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (1828, 1796), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (220, 215), data: True |-- (388, 381), data: True |-- (436, 428), data: True |-- (780, 768), data: False |-- (780, 12), data: (780, 24) @ (24, 12) |-- (280, 268), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:26:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:26:59]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I-4 (82) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -4.080401950000001 4.080401950000001 4.117205040000000 b 4.080401950000001 -4.080401950000001 4.117205040000000 c 4.080401950000001 4.080401950000001 -4.117205040000000 Atomic positions (fractional): 1 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 2 Dy 0.00109167564364 0.88121342720873 0.61703462461060 162.500 3 Dy 0.61594294896696 0.99890832435636 0.88012175156509 162.500 4 Dy 0.26417880259813 0.38405705103304 0.38296537538940 162.500 5 Dy 0.75000000000000 0.25000000000000 0.50000000000000 162.500 6 Dy 0.11878657279127 0.73582119740187 0.11987824843491 162.500 7 S 0.86897198156415 0.47798946237284 0.25197140730408 32.065 8 S 0.36705226975285 0.10750117870107 0.10676290954551 32.065 9 S 0.89249882129893 0.99926173084444 0.25955109105178 32.065 10 S 0.73971063979266 0.63294773024715 0.74044890894821 32.065 11 S 0.22601805506876 0.61700057426007 0.74802859269592 32.065 12 S 0.52201053762716 0.77398194493124 0.39098251919131 32.065 13 S 0.38299942573992 0.13102801843585 0.60901748080869 32.065 14 S 0.00073826915556 0.26028936020734 0.89323709045449 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.321607800000002 0.000000000000000 0.000000000000000 b 0.000000000000000 16.321607800000002 0.000000000000000 c 0.000000000000000 0.000000000000000 8.234410080000000 Atomic positions (fractional): 1 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 1 2 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 > 1 3 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 > 1 4 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 > 1 5 Ag 0.25000000000000 0.25000000000000 0.00000000000000 107.868 > 1 6 Ag 0.75000000000000 0.25000000000000 0.00000000000000 107.868 > 1 7 Ag 0.25000000000000 0.75000000000000 0.00000000000000 107.868 > 1 8 Ag 0.75000000000000 0.75000000000000 0.00000000000000 107.868 > 1 9 Dy 0.12428909404392 0.18422821826138 0.63263523912089 162.500 > 9 10 Dy 0.62428909404392 0.18422821826138 0.63263523912089 162.500 > 9 11 Dy 0.12428909404392 0.68422821826138 0.63263523912089 162.500 > 9 12 Dy 0.62428909404392 0.68422821826138 0.63263523912089 162.500 > 9 13 Dy 0.06577178173862 0.37428909404392 0.86736476087911 162.500 > 13 14 Dy 0.56577178173862 0.37428909404392 0.86736476087911 162.500 > 13 15 Dy 0.06577178173862 0.87428909404392 0.86736476087911 162.500 > 13 16 Dy 0.56577178173862 0.87428909404392 0.86736476087911 162.500 > 13 17 Dy 0.37571090595608 0.31577178173862 0.63263523912089 162.500 > 17 18 Dy 0.87571090595608 0.31577178173862 0.63263523912089 162.500 > 17 19 Dy 0.37571090595608 0.81577178173862 0.63263523912089 162.500 > 17 20 Dy 0.87571090595608 0.81577178173862 0.63263523912089 162.500 > 17 21 Dy 0.25000000000000 0.00000000000000 0.75000000000000 162.500 > 21 22 Dy 0.75000000000000 0.00000000000000 0.75000000000000 162.500 > 21 23 Dy 0.25000000000000 0.50000000000000 0.75000000000000 162.500 > 21 24 Dy 0.75000000000000 0.50000000000000 0.75000000000000 162.500 > 21 25 Dy 0.43422821826138 0.12571090595608 0.86736476087911 162.500 > 25 26 Dy 0.93422821826138 0.12571090595608 0.86736476087911 162.500 > 25 27 Dy 0.43422821826138 0.62571090595608 0.86736476087911 162.500 > 25 28 Dy 0.93422821826138 0.62571090595608 0.86736476087911 162.500 > 25 29 Dy 0.37428909404392 0.43422821826138 0.13263523912089 162.500 > 9 30 Dy 0.87428909404392 0.43422821826138 0.13263523912089 162.500 > 9 31 Dy 0.37428909404392 0.93422821826138 0.13263523912089 162.500 > 9 32 Dy 0.87428909404392 0.93422821826138 0.13263523912089 162.500 > 9 33 Dy 0.31577178173862 0.12428909404392 0.36736476087911 162.500 > 13 34 Dy 0.81577178173862 0.12428909404392 0.36736476087911 162.500 > 13 35 Dy 0.31577178173862 0.62428909404392 0.36736476087911 162.500 > 13 36 Dy 0.81577178173862 0.62428909404392 0.36736476087911 162.500 > 13 37 Dy 0.12571090595608 0.06577178173862 0.13263523912089 162.500 > 17 38 Dy 0.62571090595608 0.06577178173862 0.13263523912089 162.500 > 17 39 Dy 0.12571090595608 0.56577178173862 0.13263523912089 162.500 > 17 40 Dy 0.62571090595608 0.56577178173862 0.13263523912089 162.500 > 17 41 Dy 0.00000000000000 0.25000000000000 0.25000000000000 162.500 > 21 42 Dy 0.50000000000000 0.25000000000000 0.25000000000000 162.500 > 21 43 Dy 0.00000000000000 0.75000000000000 0.25000000000000 162.500 > 21 44 Dy 0.50000000000000 0.75000000000000 0.25000000000000 162.500 > 21 45 Dy 0.18422821826138 0.37571090595608 0.36736476087911 162.500 > 25 46 Dy 0.68422821826138 0.37571090595608 0.36736476087911 162.500 > 25 47 Dy 0.18422821826138 0.87571090595608 0.36736476087911 162.500 > 25 48 Dy 0.68422821826138 0.87571090595608 0.36736476087911 162.500 > 25 49 S 0.46524722202819 0.16073848162385 0.54749501831646 32.065 > 49 50 S 0.96524722202819 0.16073848162385 0.54749501831646 32.065 > 49 51 S 0.46524722202819 0.66073848162385 0.54749501831646 32.065 > 49 52 S 0.96524722202819 0.66073848162385 0.54749501831646 32.065 > 49 53 S 0.46180295462343 0.09157850014932 0.18389526945421 32.065 > 53 54 S 0.96180295462343 0.09157850014932 0.18389526945421 32.065 > 53 55 S 0.46180295462343 0.59157850014932 0.18389526945421 32.065 > 53 56 S 0.96180295462343 0.59157850014932 0.18389526945421 32.065 > 53 57 S 0.09157850014932 0.03819704537657 0.81610473054580 32.065 > 57 58 S 0.59157850014932 0.03819704537657 0.81610473054580 32.065 > 57 59 S 0.09157850014932 0.53819704537657 0.81610473054580 32.065 > 57 60 S 0.59157850014932 0.53819704537657 0.81610473054580 32.065 > 57 61 S 0.15842149985068 0.21180295462343 0.31610473054580 32.065 > 61 62 S 0.65842149985068 0.21180295462343 0.31610473054580 32.065 > 61 63 S 0.15842149985068 0.71180295462343 0.31610473054580 32.065 > 61 64 S 0.65842149985068 0.71180295462343 0.31610473054580 32.065 > 61 65 S 0.28475277797181 0.08926151837615 0.04749501831646 32.065 > 65 66 S 0.78475277797181 0.08926151837615 0.04749501831646 32.065 > 65 67 S 0.28475277797181 0.58926151837615 0.04749501831646 32.065 > 65 68 S 0.78475277797181 0.58926151837615 0.04749501831646 32.065 > 65 69 S 0.16073848162385 0.03475277797181 0.45250498168354 32.065 > 69 70 S 0.66073848162385 0.03475277797181 0.45250498168354 32.065 > 69 71 S 0.16073848162385 0.53475277797181 0.45250498168354 32.065 > 69 72 S 0.66073848162385 0.53475277797181 0.45250498168354 32.065 > 69 73 S 0.08926151837615 0.21524722202819 0.95250498168354 32.065 > 73 74 S 0.58926151837615 0.21524722202819 0.95250498168354 32.065 > 73 75 S 0.08926151837615 0.71524722202819 0.95250498168354 32.065 > 73 76 S 0.58926151837615 0.71524722202819 0.95250498168354 32.065 > 73 77 S 0.28819704537657 0.15842149985068 0.68389526945420 32.065 > 77 78 S 0.78819704537657 0.15842149985068 0.68389526945420 32.065 > 77 79 S 0.28819704537657 0.65842149985068 0.68389526945420 32.065 > 77 80 S 0.78819704537657 0.65842149985068 0.68389526945420 32.065 > 77 81 S 0.21524722202819 0.41073848162385 0.04749501831646 32.065 > 49 82 S 0.71524722202819 0.41073848162385 0.04749501831646 32.065 > 49 83 S 0.21524722202819 0.91073848162385 0.04749501831646 32.065 > 49 84 S 0.71524722202819 0.91073848162385 0.04749501831646 32.065 > 49 85 S 0.21180295462343 0.34157850014932 0.68389526945420 32.065 > 53 86 S 0.71180295462343 0.34157850014932 0.68389526945420 32.065 > 53 87 S 0.21180295462343 0.84157850014932 0.68389526945420 32.065 > 53 88 S 0.71180295462343 0.84157850014932 0.68389526945420 32.065 > 53 89 S 0.34157850014932 0.28819704537657 0.31610473054580 32.065 > 57 90 S 0.84157850014932 0.28819704537657 0.31610473054580 32.065 > 57 91 S 0.34157850014932 0.78819704537657 0.31610473054580 32.065 > 57 92 S 0.84157850014932 0.78819704537657 0.31610473054580 32.065 > 57 93 S 0.40842149985068 0.46180295462343 0.81610473054580 32.065 > 61 94 S 0.90842149985068 0.46180295462343 0.81610473054580 32.065 > 61 95 S 0.40842149985068 0.96180295462343 0.81610473054580 32.065 > 61 96 S 0.90842149985068 0.96180295462343 0.81610473054580 32.065 > 61 97 S 0.03475277797181 0.33926151837615 0.54749501831646 32.065 > 65 98 S 0.53475277797181 0.33926151837615 0.54749501831646 32.065 > 65 99 S 0.03475277797181 0.83926151837615 0.54749501831646 32.065 > 65 100 S 0.53475277797181 0.83926151837615 0.54749501831646 32.065 > 65 101 S 0.41073848162385 0.28475277797181 0.95250498168354 32.065 > 69 102 S 0.91073848162385 0.28475277797181 0.95250498168354 32.065 > 69 103 S 0.41073848162385 0.78475277797181 0.95250498168354 32.065 > 69 104 S 0.91073848162385 0.78475277797181 0.95250498168354 32.065 > 69 105 S 0.33926151837615 0.46524722202819 0.45250498168354 32.065 > 73 106 S 0.83926151837615 0.46524722202819 0.45250498168354 32.065 > 73 107 S 0.33926151837615 0.96524722202819 0.45250498168354 32.065 > 73 108 S 0.83926151837615 0.96524722202819 0.45250498168354 32.065 > 73 109 S 0.03819704537657 0.40842149985068 0.18389526945421 32.065 > 77 110 S 0.53819704537657 0.40842149985068 0.18389526945421 32.065 > 77 111 S 0.03819704537657 0.90842149985068 0.18389526945421 32.065 > 77 112 S 0.53819704537657 0.90842149985068 0.18389526945421 32.065 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.5080406 0.0000007 0.0000000 -0.0000007 9.5080406 0.0000000 0.0000000 0.0000000 9.2403029 -------------------------- Born effective charges -------------------------- 1 Ag 1.4226595 0.1450946 0.0000000 -0.1450946 1.4226595 0.0000000 0.0000000 0.0000000 1.2371399 2 Dy 4.0267202 -0.1009381 -0.0089947 -0.1368626 3.9716889 -0.0057261 -0.0605412 0.0247041 4.0010706 3 Dy 3.9716889 0.1368626 -0.0057261 0.1009381 4.0267202 0.0089947 0.0247041 0.0605412 4.0010706 4 Dy 4.0267202 -0.1009381 0.0089947 -0.1368626 3.9716889 0.0057261 0.0605412 -0.0247041 4.0010706 5 Dy 3.8083410 0.0794177 0.0000000 -0.0794177 3.8083410 0.0000000 0.0000000 0.0000000 4.1349872 6 Dy 3.9716889 0.1368626 0.0057261 0.1009381 4.0267202 -0.0089947 -0.0247041 -0.0605412 4.0010706 7 S -2.9529557 -0.0005847 -0.2287529 0.1057141 -2.0691371 0.3120429 -0.2625125 0.2719298 -2.9128467 8 S -2.8312318 -0.2908563 0.2017047 -0.2489746 -2.7605847 -0.0851962 0.4148420 -0.0783974 -2.4312557 9 S -2.7605847 0.2489746 0.0851962 0.2908563 -2.8312318 0.2017047 0.0783974 0.4148420 -2.4312557 10 S -2.7605847 0.2489746 -0.0851962 0.2908563 -2.8312318 -0.2017047 -0.0783974 -0.4148420 -2.4312557 11 S -2.9529557 -0.0005847 0.2287529 0.1057141 -2.0691371 -0.3120429 0.2625125 -0.2719298 -2.9128467 12 S -2.0691371 -0.1057141 -0.3120429 0.0005847 -2.9529557 -0.2287529 -0.2719298 -0.2625125 -2.9128467 13 S -2.0691371 -0.1057141 0.3120429 0.0005847 -2.9529557 0.2287529 0.2719298 0.2625125 -2.9128467 14 S -2.8312318 -0.2908563 -0.2017047 -0.2489746 -2.7605847 0.0851962 -0.4148420 0.0783974 -2.4312557 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, 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: -0.00000002 (zzy) -0.00000002 (zzy) -0.00000002 (zyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yx) 0.00000001 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:27:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:27:21]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I-4 (82) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -4.080401950000001 4.080401950000001 4.117205040000000 b 4.080401950000001 -4.080401950000001 4.117205040000000 c 4.080401950000001 4.080401950000001 -4.117205040000000 Atomic positions (fractional): 1 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 2 Dy 0.00109167564364 0.88121342720873 0.61703462461060 162.500 3 Dy 0.61594294896696 0.99890832435636 0.88012175156509 162.500 4 Dy 0.26417880259813 0.38405705103304 0.38296537538940 162.500 5 Dy 0.75000000000000 0.25000000000000 0.50000000000000 162.500 6 Dy 0.11878657279127 0.73582119740187 0.11987824843491 162.500 7 S 0.86897198156415 0.47798946237284 0.25197140730408 32.065 8 S 0.36705226975285 0.10750117870107 0.10676290954551 32.065 9 S 0.89249882129893 0.99926173084444 0.25955109105178 32.065 10 S 0.73971063979266 0.63294773024715 0.74044890894821 32.065 11 S 0.22601805506876 0.61700057426007 0.74802859269592 32.065 12 S 0.52201053762716 0.77398194493124 0.39098251919131 32.065 13 S 0.38299942573992 0.13102801843585 0.60901748080869 32.065 14 S 0.00073826915556 0.26028936020734 0.89323709045449 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.321607800000002 0.000000000000000 0.000000000000000 b 0.000000000000000 16.321607800000002 0.000000000000000 c 0.000000000000000 0.000000000000000 8.234410080000000 Atomic positions (fractional): 1 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 1 2 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 > 1 3 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 > 1 4 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 > 1 5 Ag 0.25000000000000 0.25000000000000 0.00000000000000 107.868 > 1 6 Ag 0.75000000000000 0.25000000000000 0.00000000000000 107.868 > 1 7 Ag 0.25000000000000 0.75000000000000 0.00000000000000 107.868 > 1 8 Ag 0.75000000000000 0.75000000000000 0.00000000000000 107.868 > 1 9 Dy 0.12428909404392 0.18422821826138 0.63263523912089 162.500 > 9 10 Dy 0.62428909404392 0.18422821826138 0.63263523912089 162.500 > 9 11 Dy 0.12428909404392 0.68422821826138 0.63263523912089 162.500 > 9 12 Dy 0.62428909404392 0.68422821826138 0.63263523912089 162.500 > 9 13 Dy 0.06577178173862 0.37428909404392 0.86736476087911 162.500 > 13 14 Dy 0.56577178173862 0.37428909404392 0.86736476087911 162.500 > 13 15 Dy 0.06577178173862 0.87428909404392 0.86736476087911 162.500 > 13 16 Dy 0.56577178173862 0.87428909404392 0.86736476087911 162.500 > 13 17 Dy 0.37571090595608 0.31577178173862 0.63263523912089 162.500 > 17 18 Dy 0.87571090595608 0.31577178173862 0.63263523912089 162.500 > 17 19 Dy 0.37571090595608 0.81577178173862 0.63263523912089 162.500 > 17 20 Dy 0.87571090595608 0.81577178173862 0.63263523912089 162.500 > 17 21 Dy 0.25000000000000 0.00000000000000 0.75000000000000 162.500 > 21 22 Dy 0.75000000000000 0.00000000000000 0.75000000000000 162.500 > 21 23 Dy 0.25000000000000 0.50000000000000 0.75000000000000 162.500 > 21 24 Dy 0.75000000000000 0.50000000000000 0.75000000000000 162.500 > 21 25 Dy 0.43422821826138 0.12571090595608 0.86736476087911 162.500 > 25 26 Dy 0.93422821826138 0.12571090595608 0.86736476087911 162.500 > 25 27 Dy 0.43422821826138 0.62571090595608 0.86736476087911 162.500 > 25 28 Dy 0.93422821826138 0.62571090595608 0.86736476087911 162.500 > 25 29 Dy 0.37428909404392 0.43422821826138 0.13263523912089 162.500 > 9 30 Dy 0.87428909404392 0.43422821826138 0.13263523912089 162.500 > 9 31 Dy 0.37428909404392 0.93422821826138 0.13263523912089 162.500 > 9 32 Dy 0.87428909404392 0.93422821826138 0.13263523912089 162.500 > 9 33 Dy 0.31577178173862 0.12428909404392 0.36736476087911 162.500 > 13 34 Dy 0.81577178173862 0.12428909404392 0.36736476087911 162.500 > 13 35 Dy 0.31577178173862 0.62428909404392 0.36736476087911 162.500 > 13 36 Dy 0.81577178173862 0.62428909404392 0.36736476087911 162.500 > 13 37 Dy 0.12571090595608 0.06577178173862 0.13263523912089 162.500 > 17 38 Dy 0.62571090595608 0.06577178173862 0.13263523912089 162.500 > 17 39 Dy 0.12571090595608 0.56577178173862 0.13263523912089 162.500 > 17 40 Dy 0.62571090595608 0.56577178173862 0.13263523912089 162.500 > 17 41 Dy 0.00000000000000 0.25000000000000 0.25000000000000 162.500 > 21 42 Dy 0.50000000000000 0.25000000000000 0.25000000000000 162.500 > 21 43 Dy 0.00000000000000 0.75000000000000 0.25000000000000 162.500 > 21 44 Dy 0.50000000000000 0.75000000000000 0.25000000000000 162.500 > 21 45 Dy 0.18422821826138 0.37571090595608 0.36736476087911 162.500 > 25 46 Dy 0.68422821826138 0.37571090595608 0.36736476087911 162.500 > 25 47 Dy 0.18422821826138 0.87571090595608 0.36736476087911 162.500 > 25 48 Dy 0.68422821826138 0.87571090595608 0.36736476087911 162.500 > 25 49 S 0.46524722202819 0.16073848162385 0.54749501831646 32.065 > 49 50 S 0.96524722202819 0.16073848162385 0.54749501831646 32.065 > 49 51 S 0.46524722202819 0.66073848162385 0.54749501831646 32.065 > 49 52 S 0.96524722202819 0.66073848162385 0.54749501831646 32.065 > 49 53 S 0.46180295462343 0.09157850014932 0.18389526945421 32.065 > 53 54 S 0.96180295462343 0.09157850014932 0.18389526945421 32.065 > 53 55 S 0.46180295462343 0.59157850014932 0.18389526945421 32.065 > 53 56 S 0.96180295462343 0.59157850014932 0.18389526945421 32.065 > 53 57 S 0.09157850014932 0.03819704537657 0.81610473054580 32.065 > 57 58 S 0.59157850014932 0.03819704537657 0.81610473054580 32.065 > 57 59 S 0.09157850014932 0.53819704537657 0.81610473054580 32.065 > 57 60 S 0.59157850014932 0.53819704537657 0.81610473054580 32.065 > 57 61 S 0.15842149985068 0.21180295462343 0.31610473054580 32.065 > 61 62 S 0.65842149985068 0.21180295462343 0.31610473054580 32.065 > 61 63 S 0.15842149985068 0.71180295462343 0.31610473054580 32.065 > 61 64 S 0.65842149985068 0.71180295462343 0.31610473054580 32.065 > 61 65 S 0.28475277797181 0.08926151837615 0.04749501831646 32.065 > 65 66 S 0.78475277797181 0.08926151837615 0.04749501831646 32.065 > 65 67 S 0.28475277797181 0.58926151837615 0.04749501831646 32.065 > 65 68 S 0.78475277797181 0.58926151837615 0.04749501831646 32.065 > 65 69 S 0.16073848162385 0.03475277797181 0.45250498168354 32.065 > 69 70 S 0.66073848162385 0.03475277797181 0.45250498168354 32.065 > 69 71 S 0.16073848162385 0.53475277797181 0.45250498168354 32.065 > 69 72 S 0.66073848162385 0.53475277797181 0.45250498168354 32.065 > 69 73 S 0.08926151837615 0.21524722202819 0.95250498168354 32.065 > 73 74 S 0.58926151837615 0.21524722202819 0.95250498168354 32.065 > 73 75 S 0.08926151837615 0.71524722202819 0.95250498168354 32.065 > 73 76 S 0.58926151837615 0.71524722202819 0.95250498168354 32.065 > 73 77 S 0.28819704537657 0.15842149985068 0.68389526945420 32.065 > 77 78 S 0.78819704537657 0.15842149985068 0.68389526945420 32.065 > 77 79 S 0.28819704537657 0.65842149985068 0.68389526945420 32.065 > 77 80 S 0.78819704537657 0.65842149985068 0.68389526945420 32.065 > 77 81 S 0.21524722202819 0.41073848162385 0.04749501831646 32.065 > 49 82 S 0.71524722202819 0.41073848162385 0.04749501831646 32.065 > 49 83 S 0.21524722202819 0.91073848162385 0.04749501831646 32.065 > 49 84 S 0.71524722202819 0.91073848162385 0.04749501831646 32.065 > 49 85 S 0.21180295462343 0.34157850014932 0.68389526945420 32.065 > 53 86 S 0.71180295462343 0.34157850014932 0.68389526945420 32.065 > 53 87 S 0.21180295462343 0.84157850014932 0.68389526945420 32.065 > 53 88 S 0.71180295462343 0.84157850014932 0.68389526945420 32.065 > 53 89 S 0.34157850014932 0.28819704537657 0.31610473054580 32.065 > 57 90 S 0.84157850014932 0.28819704537657 0.31610473054580 32.065 > 57 91 S 0.34157850014932 0.78819704537657 0.31610473054580 32.065 > 57 92 S 0.84157850014932 0.78819704537657 0.31610473054580 32.065 > 57 93 S 0.40842149985068 0.46180295462343 0.81610473054580 32.065 > 61 94 S 0.90842149985068 0.46180295462343 0.81610473054580 32.065 > 61 95 S 0.40842149985068 0.96180295462343 0.81610473054580 32.065 > 61 96 S 0.90842149985068 0.96180295462343 0.81610473054580 32.065 > 61 97 S 0.03475277797181 0.33926151837615 0.54749501831646 32.065 > 65 98 S 0.53475277797181 0.33926151837615 0.54749501831646 32.065 > 65 99 S 0.03475277797181 0.83926151837615 0.54749501831646 32.065 > 65 100 S 0.53475277797181 0.83926151837615 0.54749501831646 32.065 > 65 101 S 0.41073848162385 0.28475277797181 0.95250498168354 32.065 > 69 102 S 0.91073848162385 0.28475277797181 0.95250498168354 32.065 > 69 103 S 0.41073848162385 0.78475277797181 0.95250498168354 32.065 > 69 104 S 0.91073848162385 0.78475277797181 0.95250498168354 32.065 > 69 105 S 0.33926151837615 0.46524722202819 0.45250498168354 32.065 > 73 106 S 0.83926151837615 0.46524722202819 0.45250498168354 32.065 > 73 107 S 0.33926151837615 0.96524722202819 0.45250498168354 32.065 > 73 108 S 0.83926151837615 0.96524722202819 0.45250498168354 32.065 > 73 109 S 0.03819704537657 0.40842149985068 0.18389526945421 32.065 > 77 110 S 0.53819704537657 0.40842149985068 0.18389526945421 32.065 > 77 111 S 0.03819704537657 0.90842149985068 0.18389526945421 32.065 > 77 112 S 0.53819704537657 0.90842149985068 0.18389526945421 32.065 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.5080406 0.0000007 0.0000000 -0.0000007 9.5080406 0.0000000 0.0000000 0.0000000 9.2403029 -------------------------- Born effective charges -------------------------- 1 Ag 1.4226595 0.1450946 0.0000000 -0.1450946 1.4226595 0.0000000 0.0000000 0.0000000 1.2371399 2 Dy 4.0267202 -0.1009381 -0.0089947 -0.1368626 3.9716889 -0.0057261 -0.0605412 0.0247041 4.0010706 3 Dy 3.9716889 0.1368626 -0.0057261 0.1009381 4.0267202 0.0089947 0.0247041 0.0605412 4.0010706 4 Dy 4.0267202 -0.1009381 0.0089947 -0.1368626 3.9716889 0.0057261 0.0605412 -0.0247041 4.0010706 5 Dy 3.8083410 0.0794177 0.0000000 -0.0794177 3.8083410 0.0000000 0.0000000 0.0000000 4.1349872 6 Dy 3.9716889 0.1368626 0.0057261 0.1009381 4.0267202 -0.0089947 -0.0247041 -0.0605412 4.0010706 7 S -2.9529557 -0.0005847 -0.2287529 0.1057141 -2.0691371 0.3120429 -0.2625125 0.2719298 -2.9128467 8 S -2.8312318 -0.2908563 0.2017047 -0.2489746 -2.7605847 -0.0851962 0.4148420 -0.0783974 -2.4312557 9 S -2.7605847 0.2489746 0.0851962 0.2908563 -2.8312318 0.2017047 0.0783974 0.4148420 -2.4312557 10 S -2.7605847 0.2489746 -0.0851962 0.2908563 -2.8312318 -0.2017047 -0.0783974 -0.4148420 -2.4312557 11 S -2.9529557 -0.0005847 0.2287529 0.1057141 -2.0691371 -0.3120429 0.2625125 -0.2719298 -2.9128467 12 S -2.0691371 -0.1057141 -0.3120429 0.0005847 -2.9529557 -0.2287529 -0.2719298 -0.2625125 -2.9128467 13 S -2.0691371 -0.1057141 0.3120429 0.0005847 -2.9529557 0.2287529 0.2719298 0.2625125 -2.9128467 14 S -2.8312318 -0.2908563 -0.2017047 -0.2489746 -2.7605847 0.0851962 -0.4148420 0.0783974 -2.4312557 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (zzy) -0.00000002 (zzy) -0.00000002 (zyz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 9 ] 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: 0.64, Number of G-points: 321, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/105) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.094 ( 0.000 0.000 0.000) 0.000 1.755 ( 0.000 0.000 0.000) 0.000 1.755 ( 0.000 -0.000 0.000) 0.000 2.016 ( 0.000 0.000 0.000) 0.000 2.362 ( 0.000 0.000 0.000) 0.000 2.494 ( 0.000 0.000 0.000) 0.000 2.494 ( 0.000 -0.000 0.000) 0.000 2.540 ( 0.000 0.000 0.000) 0.000 2.822 ( 0.000 0.000 0.000) 0.000 3.280 ( 0.000 0.000 0.000) 0.000 3.280 ( 0.000 0.000 0.000) 0.000 3.463 ( 0.000 0.000 0.000) 0.000 3.688 ( 0.000 0.000 0.000) 0.000 3.806 ( 0.000 0.000 0.000) 0.000 3.806 ( 0.000 0.000 0.000) 0.000 4.787 ( 0.000 0.000 0.000) 0.000 4.787 ( -0.000 0.000 0.000) 0.000 4.832 ( 0.000 0.000 0.000) 0.000 5.601 ( 0.000 0.000 0.000) 0.000 6.156 ( 0.000 -0.000 0.000) 0.000 6.156 ( 0.000 0.000 0.000) 0.000 6.223 ( 0.000 0.000 0.000) 0.000 6.223 ( 0.000 0.000 0.000) 0.000 6.428 ( 0.000 0.000 0.000) 0.000 6.428 ( -0.000 0.000 0.000) 0.000 7.079 ( 0.000 0.000 0.000) 0.000 7.210 ( 0.000 0.000 0.000) 0.000 7.210 ( 0.000 -0.000 0.000) 0.000 7.370 ( 0.000 0.000 0.000) 0.000 7.728 ( 0.000 -0.000 0.000) 0.000 7.728 ( 0.000 0.000 0.000) 0.000 7.833 ( 0.000 0.000 0.000) 0.000 8.295 ( 0.000 0.000 0.000) 0.000 8.434 ( 0.000 0.000 0.000) 0.000 8.690 ( 0.000 0.000 0.000) 0.000 9.268 ( 0.000 0.000 0.000) 0.000 9.291 ( 0.000 0.000 0.000) 0.000 9.291 ( -0.000 0.000 0.000) 0.000 9.553 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/105) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.400 ( -0.415 13.212 15.959) 20.723 0.473 ( 2.797 17.483 15.900) 23.797 0.845 ( -1.279 30.551 26.980) 40.779 1.126 ( -0.107 0.325 4.005) 4.020 1.754 ( -0.305 -0.011 -0.249) 0.394 1.763 ( 0.315 1.328 -0.031) 1.365 2.000 ( -0.045 0.537 -2.348) 2.409 2.373 ( 0.113 -1.034 1.095) 1.510 2.493 ( 0.405 -0.662 0.472) 0.908 2.509 ( -0.746 0.710 -0.549) 1.167 2.576 ( 0.325 0.869 3.360) 3.486 2.790 ( 0.075 -3.165 -0.553) 3.214 3.231 ( 0.627 -5.573 -1.198) 5.735 3.286 ( -0.886 1.129 -1.416) 2.016 3.520 ( -0.225 0.323 1.155) 1.220 3.638 ( 0.006 -6.296 3.196) 7.060 3.855 ( -1.731 3.175 -1.588) 3.950 3.921 ( 1.442 6.253 -5.031) 8.154 4.666 ( -4.625 -12.286 -1.192) 13.182 4.801 ( 8.127 0.977 -0.230) 8.188 5.092 ( -3.726 19.943 -5.841) 21.112 5.633 ( 0.035 1.411 2.845) 3.176 6.131 ( -2.057 -2.303 -2.861) 4.210 6.171 ( 2.917 2.609 -2.668) 4.736 6.230 ( -0.715 0.952 0.037) 1.191 6.392 ( 2.398 0.420 -4.594) 5.199 6.406 ( -2.493 2.001 -4.680) 5.667 7.080 ( 0.829 -5.982 2.436) 6.512 7.130 ( 3.809 -0.480 2.779) 4.739 7.189 ( -3.765 -1.870 -1.033) 4.329 7.334 ( 0.416 -0.600 -2.715) 2.811 7.737 ( -0.762 -0.854 4.871) 5.004 7.812 ( 1.365 5.519 5.042) 7.599 7.855 ( -0.747 7.036 0.792) 7.120 8.277 ( -0.035 0.209 -2.672) 2.680 8.442 ( -0.020 -0.867 2.792) 2.923 8.633 ( -0.236 -6.396 -0.270) 6.406 8.798 ( -0.058 -5.601 7.604) 9.444 9.246 ( -0.261 -4.132 1.254) 4.326 9.272 ( -1.021 -2.308 -0.676) 2.612 9.328 ( 1.160 3.376 -2.718) 4.486 9.548 ( -0.048 -1.613 -0.709) 1.762 ======================= Grid point 2 (3/105) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -1.014 11.415 13.834) 17.963 0.882 ( 3.588 12.222 12.376) 17.760 1.130 ( -0.046 5.073 1.995) 5.451 1.603 ( -0.722 16.707 17.841) 24.453 1.747 ( -1.119 0.185 -1.005) 1.515 1.832 ( 0.313 9.604 8.013) 12.511 1.989 ( -0.189 3.405 -1.938) 3.923 2.352 ( -0.132 -2.577 -0.881) 2.727 2.478 ( 0.986 -2.583 0.971) 2.930 2.538 ( -1.075 2.082 1.925) 3.032 2.620 ( 0.622 -0.449 1.338) 1.542 2.763 ( 0.039 -2.338 3.646) 4.332 3.124 ( 0.708 -6.380 -1.989) 6.720 3.245 ( -1.083 -2.580 -3.156) 4.218 3.525 ( -3.008 -1.461 1.731) 3.766 3.642 ( 2.725 0.776 1.542) 3.226 3.806 ( 1.125 -3.214 -3.276) 4.726 3.974 ( -1.923 4.253 -0.393) 4.684 4.495 ( -1.086 -11.218 -0.124) 11.271 4.812 ( 3.157 0.834 -0.256) 3.276 5.273 ( -2.076 14.413 -2.669) 14.804 5.693 ( 0.237 0.684 2.909) 2.998 6.026 ( -0.664 -4.233 -5.281) 6.800 6.182 ( 2.242 4.163 -2.572) 5.382 6.245 ( -0.463 0.529 -0.124) 0.714 6.345 ( -0.003 2.517 -4.308) 4.990 6.382 ( -1.577 3.541 -3.013) 4.910 6.978 ( 3.888 -8.870 -0.342) 9.690 7.109 ( -4.291 -3.333 -2.613) 6.029 7.209 ( 2.822 1.824 0.897) 3.477 7.327 ( 0.388 3.902 0.190) 3.926 7.812 ( -1.548 -0.019 6.568) 6.748 7.910 ( -0.100 4.580 -0.832) 4.656 8.036 ( 1.224 9.974 6.689) 12.072 8.244 ( -0.169 1.011 -2.703) 2.891 8.454 ( -0.163 -4.201 2.352) 4.817 8.551 ( -0.550 -4.925 1.616) 5.212 8.819 ( 0.285 -0.303 1.569) 1.623 9.187 ( -3.074 -5.916 -0.072) 6.667 9.221 ( 0.916 -3.072 -0.827) 3.310 9.331 ( 2.030 0.682 -1.113) 2.413 9.502 ( -0.395 -1.730 -2.590) 3.139 ======================= Grid point 3 (4/105) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -1.402 2.235 3.579) 4.447 1.118 ( 2.943 8.078 9.746) 12.996 1.340 ( 0.684 11.460 7.860) 13.913 1.716 ( -0.316 -0.670 -0.087) 0.745 1.751 ( 0.520 2.207 -0.713) 2.377 1.994 ( -0.932 2.526 -0.137) 2.696 2.247 ( -0.365 1.991 -0.506) 2.086 2.329 ( -0.791 7.812 5.164) 9.398 2.478 ( 2.057 -1.625 6.838) 7.323 2.603 ( -0.889 1.332 -0.763) 1.774 2.643 ( -0.891 4.747 6.934) 8.451 2.810 ( -0.172 -1.851 6.602) 6.859 3.022 ( 0.349 -4.064 -1.427) 4.321 3.157 ( -0.764 -3.556 -2.460) 4.391 3.537 ( -4.007 -1.548 2.768) 5.110 3.640 ( 6.836 -1.286 -5.030) 8.584 3.727 ( -0.688 -1.664 -0.133) 1.805 4.006 ( -2.786 1.430 -0.483) 3.168 4.361 ( 0.049 -7.438 -0.839) 7.485 4.814 ( 1.199 0.391 -0.623) 1.406 5.396 ( -0.882 8.362 -2.393) 8.742 5.715 ( 0.355 -0.754 0.519) 0.982 5.901 ( -0.217 -3.228 -4.593) 5.618 6.207 ( 3.994 4.065 -2.930) 6.408 6.242 ( 0.765 0.704 -0.381) 1.108 6.341 ( -5.214 3.667 -2.445) 6.827 6.454 ( -0.729 4.978 4.031) 6.447 6.851 ( 3.968 -7.652 -1.255) 8.710 7.029 ( -4.075 -2.834 -2.320) 5.479 7.191 ( 3.265 -1.217 -2.767) 4.449 7.434 ( 1.031 5.772 3.418) 6.786 7.889 ( -1.961 -0.906 4.229) 4.749 7.931 ( -1.611 3.755 -3.097) 5.127 8.207 ( 2.845 2.363 0.351) 3.715 8.282 ( 0.771 7.119 2.503) 7.585 8.411 ( -1.594 -1.866 1.997) 3.164 8.547 ( -0.238 -3.428 4.327) 5.525 8.838 ( 0.427 1.786 -0.114) 1.840 9.088 ( -3.708 -8.023 -0.131) 8.840 9.171 ( 1.243 -2.321 -1.155) 2.875 9.312 ( 2.601 -0.929 -1.455) 3.122 9.441 ( -0.997 -1.512 -2.637) 3.199 ======================= Grid point 4 (5/105) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -0.193 0.209 0.423) 0.510 1.328 ( 1.261 4.557 6.188) 7.788 1.499 ( -0.769 2.168 -0.170) 2.307 1.734 ( 0.234 1.218 1.323) 1.814 1.788 ( 1.303 3.154 2.505) 4.233 1.986 ( -1.465 -1.191 -3.551) 4.022 2.200 ( 0.256 -0.741 0.248) 0.822 2.348 ( 0.268 -1.375 -2.322) 2.712 2.568 ( 1.247 0.511 2.765) 3.076 2.609 ( -0.830 1.372 -0.575) 1.704 2.775 ( -0.821 -1.346 2.924) 3.322 2.890 ( -0.549 0.176 0.868) 1.042 3.070 ( -1.466 2.021 4.020) 4.732 3.137 ( 0.330 5.359 7.520) 9.240 3.449 ( 2.295 -7.273 -8.719) 11.584 3.581 ( -0.729 0.101 1.031) 1.267 3.734 ( 0.647 0.648 0.095) 0.920 4.010 ( -1.358 0.187 -0.254) 1.394 4.274 ( 0.173 -2.922 -0.954) 3.079 4.810 ( 0.258 0.080 -0.344) 0.437 5.441 ( -0.200 2.393 -1.251) 2.708 5.698 ( 0.195 -0.743 -0.690) 1.033 5.836 ( -0.149 -0.743 -1.187) 1.409 6.209 ( 1.596 0.749 -0.946) 2.001 6.252 ( 0.845 1.061 -0.565) 1.469 6.379 ( -2.540 3.201 -0.099) 4.087 6.563 ( -1.107 1.357 3.162) 3.615 6.760 ( 1.920 -2.547 -0.611) 3.248 6.979 ( -1.421 -1.269 -0.846) 2.084 7.131 ( 1.546 -1.230 -2.363) 3.080 7.533 ( 0.832 2.298 1.995) 3.155 7.889 ( -1.028 1.338 -2.344) 2.888 7.955 ( -1.457 -0.553 2.048) 2.574 8.195 ( 1.045 -0.681 -1.266) 1.778 8.358 ( 1.611 1.661 1.816) 2.942 8.467 ( -0.912 1.026 0.095) 1.376 8.587 ( -0.251 2.295 3.464) 4.163 8.862 ( 0.316 1.312 0.088) 1.353 8.981 ( -1.795 -5.824 -0.340) 6.104 9.132 ( 0.393 -1.119 -0.652) 1.354 9.278 ( 1.313 -0.590 -1.278) 1.925 9.402 ( -0.580 -0.598 -0.812) 1.163 ======================= Grid point 10 (6/105) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 9.288 6.183 15.412) 19.028 0.783 ( 9.080 14.399 15.544) 23.052 1.092 ( 2.301 2.090 1.436) 3.424 1.447 ( 12.825 11.739 29.374) 34.134 1.755 ( 1.608 -0.393 0.314) 1.684 1.774 ( 1.014 2.832 0.815) 3.116 1.970 ( 1.277 1.167 -2.649) 3.164 2.372 ( -1.179 -1.191 -0.362) 1.714 2.484 ( -1.659 -0.996 1.172) 2.262 2.530 ( 2.108 1.279 0.398) 2.498 2.626 ( -0.776 -0.350 2.886) 3.009 2.783 ( -1.686 -1.692 3.008) 3.841 3.160 ( -5.785 -5.144 -1.775) 7.942 3.277 ( 1.418 0.582 -3.411) 3.739 3.515 ( -0.559 -2.118 0.098) 2.193 3.645 ( -3.260 -2.211 3.030) 4.970 3.850 ( 0.670 2.553 -4.050) 4.834 3.917 ( 4.588 2.466 0.146) 5.211 4.537 ( -11.259 -12.440 1.258) 16.826 4.904 ( 3.840 9.118 -3.794) 10.596 5.104 ( 9.555 5.388 2.008) 11.151 5.689 ( 0.422 0.559 4.008) 4.069 6.066 ( -2.541 -3.826 -3.670) 5.879 6.138 ( 0.092 2.474 -3.844) 4.572 6.250 ( 2.311 1.654 -0.254) 2.854 6.310 ( -0.844 -0.732 -3.265) 3.451 6.373 ( 3.821 3.004 -4.317) 6.501 7.026 ( -8.336 -6.176 -0.530) 10.388 7.133 ( -0.390 -1.725 -0.586) 1.863 7.224 ( 2.278 2.756 1.021) 3.719 7.289 ( 0.912 1.710 -2.852) 3.449 7.821 ( 2.502 2.103 2.218) 3.950 7.879 ( 2.937 -0.315 7.080) 7.672 7.951 ( 2.572 5.806 4.785) 7.952 8.233 ( 1.412 1.187 -3.952) 4.361 8.485 ( -0.877 -0.962 3.745) 3.965 8.596 ( -2.704 -3.284 -0.524) 4.286 8.813 ( -1.133 -0.587 -0.802) 1.507 9.210 ( -3.029 -4.036 -0.707) 5.095 9.280 ( 1.637 -1.464 -2.217) 3.120 9.315 ( -3.077 0.814 2.415) 3.995 9.514 ( -1.428 -1.684 -2.523) 3.353 ======================= Grid point 11 (7/105) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 1.977 3.666 8.468) 9.437 1.121 ( 9.051 5.622 8.430) 13.587 1.205 ( 2.771 12.262 8.819) 15.356 1.702 ( -0.859 0.981 -0.492) 1.394 1.766 ( 3.616 0.462 1.128) 3.816 1.950 ( 0.006 2.847 0.085) 2.848 2.093 ( 5.428 13.913 14.235) 20.632 2.333 ( 0.136 -2.175 -0.605) 2.262 2.503 ( -2.061 -0.334 2.198) 3.032 2.568 ( 2.877 2.723 3.497) 5.284 2.631 ( -0.838 -1.465 1.741) 2.425 2.834 ( -1.114 -2.472 7.171) 7.667 3.057 ( -4.777 -5.294 -2.233) 7.472 3.212 ( 1.577 -2.607 -3.426) 4.586 3.488 ( -4.710 -2.143 1.350) 5.348 3.678 ( 0.643 2.091 0.738) 2.308 3.794 ( 3.208 -2.048 -4.876) 6.185 3.949 ( -0.610 1.717 -0.004) 1.822 4.391 ( -11.237 -10.705 0.503) 15.528 4.914 ( 10.007 1.179 -2.490) 10.379 5.256 ( 0.968 9.943 1.862) 10.162 5.729 ( -0.281 -0.934 1.951) 2.181 5.950 ( -1.185 -5.354 -3.541) 6.528 6.146 ( -2.751 5.568 -2.100) 6.556 6.245 ( -0.389 0.525 -1.431) 1.574 6.284 ( 2.752 0.190 -1.651) 3.215 6.412 ( 3.492 4.399 2.635) 6.204 6.923 ( -6.191 -5.368 -2.831) 8.670 7.063 ( 0.492 -4.613 -1.293) 4.816 7.233 ( 0.015 0.048 -2.836) 2.837 7.369 ( 4.147 7.740 3.143) 9.327 7.860 ( 2.121 4.848 -4.924) 7.228 7.920 ( 2.489 -3.326 4.696) 6.269 8.136 ( -1.821 9.205 5.351) 10.802 8.223 ( 2.136 1.601 -0.129) 2.673 8.474 ( 1.124 -4.323 0.325) 4.478 8.588 ( -0.486 -2.354 4.848) 5.411 8.799 ( -1.336 2.244 -2.558) 3.656 9.133 ( -3.309 -5.915 -0.252) 6.783 9.224 ( 1.151 -2.330 -2.024) 3.294 9.342 ( -0.531 -0.441 0.910) 1.142 9.441 ( -2.250 -2.344 -3.714) 4.934 ======================= Grid point 12 (8/105) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -0.555 0.243 1.444) 1.567 1.315 ( 6.884 5.656 7.634) 11.733 1.462 ( 3.450 6.176 5.525) 8.976 1.706 ( 0.100 2.547 -0.271) 2.563 1.799 ( 4.294 1.687 2.365) 5.184 1.970 ( -0.256 1.446 -1.535) 2.124 2.212 ( -0.986 0.034 -2.172) 2.386 2.343 ( -0.280 0.485 -1.971) 2.049 2.504 ( -2.985 1.189 -1.769) 3.668 2.631 ( 0.853 0.023 1.748) 1.946 2.787 ( 1.186 0.863 11.491) 11.584 2.881 ( -1.658 -2.211 4.244) 5.064 3.004 ( -1.833 1.148 3.579) 4.181 3.147 ( 2.452 -0.816 -0.568) 2.646 3.500 ( -5.188 -1.043 2.352) 5.791 3.630 ( 4.979 -3.268 -8.443) 10.332 3.732 ( 1.009 0.645 -0.743) 1.409 3.969 ( -2.910 0.694 0.913) 3.128 4.264 ( -10.209 -7.423 -0.618) 12.638 4.897 ( 9.877 -0.107 -0.745) 9.906 5.387 ( 0.387 5.823 1.326) 5.985 5.722 ( -0.068 -2.242 0.571) 2.315 5.853 ( -1.104 -3.514 -0.909) 3.794 6.208 ( -2.986 3.075 -0.559) 4.323 6.249 ( 1.824 0.071 0.393) 1.867 6.280 ( -0.826 3.546 0.607) 3.692 6.525 ( 1.270 2.809 4.732) 5.648 6.814 ( -2.677 -3.827 -3.064) 5.586 7.003 ( 0.448 -2.894 0.262) 2.940 7.172 ( 0.190 -1.992 -3.671) 4.181 7.514 ( 5.195 6.366 2.294) 8.531 7.827 ( 0.552 5.127 -7.051) 8.735 7.949 ( -0.470 -1.646 3.586) 3.973 8.228 ( 0.396 0.744 -0.173) 0.861 8.316 ( -0.190 6.456 0.610) 6.488 8.442 ( 2.349 -1.481 2.621) 3.819 8.616 ( 1.518 -2.247 3.924) 4.770 8.816 ( -1.227 4.432 -1.713) 4.907 9.047 ( -2.934 -7.514 0.933) 8.120 9.165 ( 0.864 -2.045 -2.032) 3.009 9.309 ( 0.533 -2.417 -2.835) 3.763 9.386 ( -3.029 -0.400 -0.754) 3.147 ======================= Grid point 13 (9/105) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -0.409 -0.191 0.294) 0.539 1.394 ( 4.440 -1.282 -2.401) 5.208 1.546 ( 4.865 0.803 3.642) 6.130 1.735 ( 0.180 0.834 -0.786) 1.160 1.837 ( 1.635 -2.630 -1.956) 3.662 1.980 ( 2.501 2.952 3.913) 5.503 2.205 ( 1.111 0.462 -1.327) 1.791 2.299 ( -2.742 1.471 -1.972) 3.684 2.492 ( -4.996 1.684 -3.170) 6.152 2.648 ( -1.109 -1.319 1.684) 2.410 2.795 ( 0.141 -3.184 -0.721) 3.268 2.900 ( -0.147 -0.968 2.744) 2.913 3.059 ( -1.011 1.420 -1.756) 2.474 3.235 ( 1.847 -0.056 -1.015) 2.109 3.402 ( 3.459 -3.655 -0.964) 5.124 3.574 ( -0.931 1.047 0.343) 1.442 3.726 ( -0.089 1.097 -1.581) 1.926 3.993 ( -3.746 0.284 1.671) 4.112 4.192 ( -8.909 -2.307 0.498) 9.216 4.894 ( 9.985 -0.317 0.672) 10.013 5.460 ( 0.629 0.847 3.157) 3.329 5.701 ( -0.028 -1.780 1.241) 2.170 5.833 ( -1.101 -1.288 2.086) 2.688 6.205 ( -3.440 -1.837 0.362) 3.916 6.249 ( 0.381 -0.744 1.033) 1.329 6.385 ( -0.158 5.175 3.014) 5.991 6.559 ( -1.163 -1.503 -0.846) 2.080 6.764 ( 0.968 -1.440 -0.523) 1.813 6.988 ( 0.317 -0.143 1.094) 1.148 7.114 ( -0.544 -1.196 -0.106) 1.318 7.559 ( 4.313 1.418 -3.532) 5.752 7.861 ( -0.015 5.972 0.252) 5.977 7.959 ( 0.715 0.437 -0.882) 1.217 8.219 ( 0.952 -2.155 1.156) 2.624 8.340 ( -1.758 1.355 -3.213) 3.905 8.461 ( 1.165 -0.278 -0.196) 1.214 8.650 ( 3.450 0.718 0.610) 3.576 8.851 ( -1.145 1.342 -0.579) 1.857 8.970 ( 0.089 -2.830 0.733) 2.925 9.124 ( -0.157 -0.627 -0.839) 1.059 9.253 ( -2.451 -0.771 -1.142) 2.812 9.390 ( -1.321 0.459 0.961) 1.697 ======================= Grid point 14 (10/105) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -0.274 -0.893 -0.635) 1.130 1.261 ( 6.735 -6.883 -7.499) 12.205 1.504 ( 3.217 -9.645 -4.299) 11.039 1.719 ( 1.302 0.419 -0.333) 1.407 1.780 ( 0.964 -1.304 0.390) 1.668 2.044 ( 1.365 -2.072 0.460) 2.523 2.215 ( 1.488 3.818 1.988) 4.555 2.345 ( -3.287 4.017 0.254) 5.196 2.458 ( -2.906 -0.820 -4.217) 5.187 2.631 ( -1.257 -2.384 -0.338) 2.716 2.748 ( 1.657 0.158 -4.042) 4.371 2.857 ( 4.176 -9.543 -8.890) 13.695 2.978 ( -2.308 -2.143 -2.541) 4.046 3.123 ( 0.501 2.608 0.000) 2.656 3.482 ( -4.636 2.825 2.103) 5.823 3.592 ( 2.457 2.229 0.378) 3.339 3.724 ( -0.020 0.427 -0.371) 0.566 4.026 ( -2.101 1.143 1.409) 2.776 4.207 ( -9.345 1.832 1.247) 9.604 4.903 ( 10.755 -0.459 1.235) 10.836 5.494 ( 0.445 -4.528 5.031) 6.783 5.706 ( -0.271 -0.266 0.576) 0.690 5.869 ( -1.250 0.219 4.899) 5.061 6.192 ( -5.508 -3.186 3.353) 7.193 6.249 ( 0.414 -1.246 0.843) 1.560 6.455 ( 3.940 -2.375 3.493) 5.777 6.519 ( -0.623 -0.722 -2.440) 2.620 6.722 ( -0.716 1.152 -2.463) 2.812 7.040 ( 0.734 2.453 3.068) 3.996 7.140 ( -1.193 0.809 3.215) 3.523 7.492 ( 2.247 -1.796 -5.149) 5.898 7.914 ( 2.043 0.476 -1.997) 2.896 7.966 ( 2.259 2.849 -0.233) 3.643 8.209 ( -1.335 -1.379 0.367) 1.955 8.299 ( -1.539 -1.482 -1.254) 2.477 8.435 ( -0.635 -0.551 -3.045) 3.159 8.582 ( 4.624 -4.660 -4.271) 7.832 8.836 ( -0.929 0.489 -2.399) 2.618 9.027 ( 2.270 6.096 2.050) 6.821 9.129 ( -1.139 1.626 0.215) 1.997 9.257 ( -3.662 0.697 1.310) 3.951 9.424 ( -0.801 1.040 2.568) 2.885 ======================= Grid point 15 (11/105) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 1.852 -6.381 -4.790) 8.191 1.035 ( 10.012 -8.800 -8.325) 15.716 1.257 ( 2.867 -11.574 -6.116) 13.401 1.714 ( 0.497 -2.048 -0.312) 2.130 1.784 ( 2.232 -0.600 1.031) 2.530 1.985 ( 1.187 -4.198 -3.915) 5.861 2.179 ( 4.285 -18.313 -10.157) 21.375 2.325 ( 1.708 1.409 0.952) 2.411 2.399 ( -3.125 4.274 -0.559) 5.324 2.579 ( 0.289 -1.398 -3.516) 3.795 2.621 ( 0.817 -2.487 -1.478) 3.006 2.730 ( -0.543 1.751 -4.245) 4.624 3.011 ( -3.932 3.592 1.715) 5.595 3.206 ( -0.121 5.806 2.292) 6.243 3.509 ( -3.653 0.888 -0.655) 3.816 3.617 ( -0.809 -0.412 -0.578) 1.077 3.757 ( 1.631 4.828 1.116) 5.217 4.041 ( 0.682 -1.742 0.616) 1.970 4.268 ( -11.877 6.255 -0.019) 13.423 4.912 ( 12.374 -0.323 0.999) 12.418 5.453 ( -1.084 -11.017 4.502) 11.951 5.698 ( -0.057 -0.157 -1.288) 1.299 5.972 ( -1.653 2.318 7.017) 7.573 6.202 ( -2.597 -3.736 3.703) 5.867 6.252 ( -0.012 0.119 1.952) 1.956 6.407 ( 1.933 -5.624 -0.801) 6.000 6.494 ( 5.009 -4.130 4.629) 7.973 6.772 ( -5.363 8.689 -1.640) 10.341 7.110 ( -0.502 2.003 2.222) 3.033 7.195 ( 0.996 1.221 2.272) 2.765 7.390 ( 1.811 -3.578 -3.682) 5.444 7.864 ( 4.881 0.153 -5.295) 7.203 7.956 ( -0.714 -3.042 -1.431) 3.437 8.166 ( 0.080 -6.595 -2.193) 6.951 8.254 ( -1.822 -2.981 1.064) 3.652 8.407 ( 1.716 3.449 -1.906) 4.297 8.502 ( 0.971 2.018 -4.143) 4.709 8.802 ( -0.675 0.938 -4.027) 4.190 9.133 ( -0.330 3.920 1.696) 4.284 9.168 ( -0.146 4.958 -0.623) 4.999 9.297 ( -2.419 0.591 3.111) 3.985 9.479 ( -0.911 1.149 2.887) 3.238 ======================= Grid point 16 (12/105) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 10.987 -14.374 -7.487) 19.580 0.768 ( 13.741 -13.252 -9.302) 21.236 1.121 ( 1.371 -3.262 -0.840) 3.637 1.434 ( 10.947 -30.053 -14.763) 35.227 1.771 ( 1.240 -1.792 -0.713) 2.292 1.789 ( 0.904 -2.157 -0.475) 2.387 2.024 ( 0.974 -2.444 1.507) 3.032 2.356 ( 0.138 1.163 -0.037) 1.172 2.443 ( -2.838 2.538 -0.471) 3.836 2.544 ( 2.076 -0.085 -0.624) 2.169 2.579 ( -0.677 -0.557 -2.592) 2.736 2.729 ( -1.198 2.960 -0.566) 3.243 3.097 ( -5.191 5.736 1.100) 7.814 3.317 ( 1.788 3.770 3.111) 5.205 3.500 ( -5.562 -0.088 -0.885) 5.633 3.579 ( 0.322 -0.727 -2.744) 2.857 3.866 ( 1.753 6.077 2.843) 6.935 3.990 ( 0.046 -5.542 -0.260) 5.548 4.378 ( -13.318 9.967 -0.487) 16.642 4.932 ( 16.184 2.036 1.114) 16.350 5.329 ( -3.706 -15.499 4.283) 16.501 5.664 ( 0.899 -1.728 -1.603) 2.523 6.095 ( -2.925 2.086 5.694) 6.733 6.187 ( 1.401 -2.005 1.037) 2.656 6.278 ( 3.533 -0.970 0.110) 3.666 6.365 ( -2.227 -1.921 3.802) 4.807 6.504 ( 4.104 -4.667 4.954) 7.948 6.877 ( -5.372 10.159 -2.782) 11.824 7.137 ( -1.452 -0.342 0.029) 1.492 7.224 ( 2.338 0.459 -0.078) 2.384 7.329 ( 1.282 -1.178 0.537) 1.822 7.789 ( 5.943 -0.580 -4.382) 7.407 7.862 ( -1.132 -6.038 -2.906) 6.796 8.012 ( 2.831 -9.173 -0.769) 9.631 8.263 ( -0.564 1.273 0.102) 1.396 8.416 ( -0.051 2.145 -2.826) 3.549 8.532 ( -1.863 5.748 -0.735) 6.087 8.752 ( -0.833 1.086 -5.654) 5.817 9.179 ( -2.871 2.108 0.488) 3.595 9.232 ( -1.083 4.404 -0.719) 4.592 9.350 ( 0.685 -0.322 4.013) 4.084 9.524 ( -1.010 0.966 1.435) 2.003 ======================= Grid point 17 (13/105) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( 15.603 -15.473 -0.000) 21.974 0.522 ( 22.935 -13.737 -0.000) 26.734 0.825 ( 26.396 -32.197 -0.000) 41.634 1.101 ( 0.573 -0.747 -0.000) 0.942 1.756 ( -0.126 -0.369 -0.000) 0.389 1.772 ( 1.445 -0.876 -0.000) 1.690 2.020 ( 0.319 -0.497 -0.000) 0.591 2.361 ( 0.120 0.207 0.000) 0.239 2.467 ( -1.784 1.912 0.000) 2.615 2.531 ( -0.600 -1.277 -0.000) 1.411 2.559 ( 1.735 0.002 -0.000) 1.735 2.773 ( -2.562 2.975 0.000) 3.926 3.185 ( -5.302 5.602 0.000) 7.713 3.339 ( 2.537 -3.605 -0.000) 4.409 3.505 ( -3.266 0.075 0.000) 3.267 3.566 ( -1.847 4.095 0.000) 4.492 3.895 ( 1.223 -6.038 -0.000) 6.161 3.974 ( -0.368 3.862 0.000) 3.879 4.512 ( -12.785 10.338 0.000) 16.442 5.019 ( 19.535 7.363 -0.000) 20.876 5.138 ( -7.847 -17.639 -0.000) 19.306 5.625 ( 1.487 -1.659 -0.000) 2.228 6.143 ( -3.776 -0.552 0.000) 3.816 6.204 ( 1.573 2.027 0.000) 2.566 6.255 ( 3.431 -1.817 -0.000) 3.882 6.401 ( -0.745 1.928 0.000) 2.067 6.482 ( 2.420 -4.403 -0.000) 5.024 6.968 ( -0.798 7.903 0.000) 7.944 7.130 ( 2.363 0.254 -0.000) 2.376 7.209 ( -1.869 -2.672 -0.000) 3.261 7.343 ( -1.354 0.926 0.000) 1.640 7.741 ( 0.617 -5.824 -0.000) 5.857 7.764 ( 7.090 0.914 -0.000) 7.149 7.915 ( 3.282 -5.682 -0.000) 6.562 8.278 ( -1.154 1.156 0.000) 1.633 8.416 ( -1.175 1.141 0.000) 1.637 8.585 ( -3.333 2.706 0.000) 4.293 8.697 ( -0.652 -0.680 -0.000) 0.942 9.215 ( -3.056 2.495 0.000) 3.945 9.265 ( -2.517 1.411 0.000) 2.885 9.377 ( 2.374 -0.733 -0.000) 2.485 9.543 ( -0.786 0.634 0.000) 1.010 ======================= Grid point 19 (14/105) ======================= q-point: ( 0.11 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 3.931 -0.142 7.254) 8.252 1.080 ( 5.299 11.310 12.333) 17.553 1.201 ( 10.176 2.519 7.375) 12.818 1.701 ( 1.217 -0.639 0.649) 1.520 1.767 ( -0.073 3.113 -0.765) 3.206 1.961 ( 3.513 0.114 -0.167) 3.519 2.100 ( 14.939 5.599 13.825) 21.111 2.338 ( -1.456 0.418 -0.374) 1.560 2.477 ( -2.207 -1.613 2.614) 3.782 2.589 ( 4.096 2.376 2.087) 5.175 2.629 ( -1.636 -0.961 3.461) 3.947 2.837 ( -2.153 -1.073 7.502) 7.879 3.053 ( -5.493 -4.525 -2.135) 7.431 3.218 ( -2.140 1.315 -3.868) 4.612 3.514 ( 0.042 -5.851 -0.493) 5.871 3.639 ( -1.985 2.034 0.657) 2.917 3.785 ( -2.130 2.432 -2.446) 4.054 3.980 ( 4.532 0.145 -1.487) 4.772 4.394 ( -11.181 -11.993 0.638) 16.409 4.894 ( 0.540 10.466 -0.997) 10.527 5.269 ( 10.511 1.064 0.158) 10.566 5.726 ( -1.246 -0.313 1.927) 2.316 5.965 ( -5.389 -0.945 -2.113) 5.865 6.100 ( 2.733 -2.398 -3.897) 5.330 6.239 ( -0.223 0.078 -0.812) 0.846 6.334 ( 4.533 1.418 -1.488) 4.977 6.413 ( 5.000 3.856 2.740) 6.883 6.894 ( -8.422 -5.738 -1.224) 10.264 7.102 ( -1.694 -0.897 -2.626) 3.251 7.183 ( -2.279 1.490 -3.002) 4.053 7.367 ( 6.277 3.415 3.416) 7.920 7.872 ( 5.659 1.963 -3.644) 7.011 7.974 ( -1.793 4.638 4.339) 6.600 8.072 ( 6.776 -2.944 3.572) 8.206 8.234 ( 2.402 1.209 0.878) 2.829 8.485 ( -3.616 0.854 1.138) 3.885 8.588 ( -2.006 -0.214 3.871) 4.365 8.789 ( 1.816 -1.142 -2.654) 3.412 9.156 ( -3.109 -3.366 -1.350) 4.776 9.245 ( -1.452 2.115 -2.080) 3.303 9.297 ( -4.493 -1.861 1.563) 5.108 9.453 ( -1.177 -1.895 -3.283) 3.969 ======================= Grid point 20 (15/105) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 0.071 -0.313 1.729) 1.759 1.344 ( 7.118 5.811 7.790) 12.047 1.419 ( 6.641 9.101 10.241) 15.226 1.690 ( 1.266 0.449 -1.005) 1.678 1.809 ( 0.937 3.850 0.272) 3.972 1.967 ( 3.303 1.010 0.197) 3.460 2.180 ( -0.320 0.978 -3.305) 3.462 2.353 ( 0.299 -0.567 -0.937) 1.135 2.480 ( -1.334 -1.887 -0.456) 2.355 2.623 ( 0.039 1.274 -0.207) 1.291 2.791 ( 3.033 2.262 12.777) 13.325 2.905 ( -2.688 -4.237 5.318) 7.312 2.987 ( -0.386 -0.931 3.195) 3.350 3.184 ( 0.787 0.478 -2.405) 2.575 3.442 ( -4.744 -3.006 1.255) 5.755 3.656 ( -0.958 2.402 -4.503) 5.193 3.778 ( 2.807 -0.115 -1.864) 3.372 3.943 ( -0.266 -1.556 -1.067) 1.905 4.240 ( -10.721 -10.718 0.113) 15.159 4.989 ( 5.087 5.163 -1.060) 7.325 5.325 ( 3.852 4.687 1.968) 6.378 5.732 ( -2.018 -1.074 1.022) 2.504 5.915 ( -1.155 -6.305 0.760) 6.455 6.084 ( -3.450 3.709 1.018) 5.167 6.242 ( 0.201 0.765 0.885) 1.187 6.321 ( 4.948 -0.144 -1.314) 5.122 6.520 ( 3.188 2.480 5.035) 6.455 6.805 ( -5.195 -3.582 -2.030) 6.628 7.039 ( -1.255 -2.615 -1.906) 3.471 7.159 ( -2.655 1.129 -3.604) 4.617 7.500 ( 6.160 7.067 4.722) 10.497 7.816 ( 6.367 3.282 -9.378) 11.801 7.993 ( 0.593 -3.030 0.788) 3.186 8.155 ( -0.704 4.451 3.112) 5.477 8.283 ( 2.259 1.845 2.418) 3.789 8.500 ( 0.376 -0.792 1.428) 1.675 8.651 ( -0.575 -0.169 4.405) 4.445 8.747 ( 1.400 2.228 -3.511) 4.387 9.092 ( -3.031 -4.370 0.031) 5.318 9.198 ( -0.374 -2.669 -2.282) 3.532 9.316 ( -5.052 1.272 -0.888) 5.285 9.368 ( -0.259 -3.849 -2.384) 4.534 ======================= Grid point 21 (16/105) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -0.383 -0.262 0.665) 0.811 1.469 ( 6.752 1.841 1.584) 7.176 1.603 ( 6.721 3.146 5.086) 8.997 1.712 ( 0.687 3.038 0.320) 3.131 1.869 ( 1.333 2.418 -0.552) 2.815 1.990 ( 3.084 1.139 2.227) 3.971 2.164 ( -1.015 3.990 -2.180) 4.659 2.289 ( -0.892 -2.699 -3.999) 4.907 2.431 ( -3.296 -2.028 -1.772) 4.256 2.626 ( -3.189 -0.773 0.197) 3.287 2.838 ( -3.991 -6.259 0.221) 7.426 2.895 ( -0.530 1.609 1.904) 2.549 3.049 ( 1.124 -0.764 -1.838) 2.286 3.238 ( 4.363 2.900 5.558) 7.638 3.474 ( -4.484 -0.538 3.310) 5.599 3.582 ( 3.836 0.064 -5.644) 6.825 3.721 ( 2.023 -1.034 -3.498) 4.171 3.930 ( -6.367 -2.844 1.852) 7.215 4.126 ( -7.811 -4.654 -0.061) 9.093 5.028 ( 8.578 1.350 0.986) 8.740 5.425 ( 0.274 4.499 2.915) 5.368 5.735 ( -1.163 -2.415 2.549) 3.699 5.855 ( -0.575 -5.042 3.294) 6.050 6.143 ( -5.508 0.608 0.633) 5.577 6.296 ( 1.153 -0.266 2.191) 2.490 6.313 ( 2.189 2.347 2.907) 4.330 6.578 ( -0.009 -1.040 1.321) 1.681 6.771 ( -0.668 0.287 1.009) 1.244 6.985 ( -2.051 -1.267 -2.500) 3.473 7.127 ( -0.876 -0.856 -0.457) 1.308 7.622 ( 8.742 3.284 -2.270) 9.610 7.772 ( 2.332 7.301 -2.585) 8.089 7.970 ( 0.124 -0.791 -0.483) 0.935 8.207 ( -3.152 0.308 -0.386) 3.190 8.321 ( 2.470 2.040 -1.244) 3.436 8.520 ( 4.383 -0.105 1.075) 4.514 8.657 ( -0.216 -0.345 -0.344) 0.533 8.791 ( 0.505 5.879 -0.384) 5.913 9.038 ( -1.155 -5.902 1.823) 6.284 9.131 ( -2.354 -2.025 -2.251) 3.835 9.247 ( -1.683 -3.081 -3.277) 4.803 9.357 ( -2.294 0.414 1.470) 2.756 ======================= Grid point 22 (17/105) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -0.375 -0.568 0.101) 0.688 1.443 ( 9.446 -2.670 -3.312) 10.360 1.668 ( 6.123 -3.753 1.082) 7.263 1.733 ( 1.592 0.703 -0.301) 1.766 1.816 ( 1.686 -1.738 -2.766) 3.676 2.062 ( -0.216 1.596 0.987) 1.889 2.210 ( 2.578 2.845 -0.604) 3.887 2.229 ( -3.319 3.003 -1.436) 4.701 2.405 ( -3.605 0.335 0.541) 3.661 2.612 ( -4.753 -1.293 -0.317) 4.936 2.749 ( -1.411 -2.252 -4.062) 4.854 2.947 ( 0.724 1.238 1.483) 2.063 2.988 ( -2.597 -0.503 -4.170) 4.938 3.203 ( 4.151 -7.560 -7.067) 11.151 3.438 ( -1.023 -3.178 1.575) 3.692 3.590 ( 2.238 2.378 -0.704) 3.340 3.705 ( -0.765 1.924 -1.095) 2.342 3.913 ( -10.002 -1.093 2.389) 10.341 4.117 ( -3.813 0.358 1.002) 3.959 5.061 ( 10.677 0.246 2.268) 10.918 5.516 ( -0.927 1.238 4.336) 4.604 5.727 ( -0.280 -3.545 2.269) 4.219 5.869 ( -0.918 -2.731 5.886) 6.553 6.135 ( -7.519 -2.009 1.821) 7.993 6.296 ( 3.033 -1.691 1.586) 3.818 6.418 ( -2.124 3.449 3.063) 5.078 6.568 ( 3.016 -1.951 2.167) 4.194 6.774 ( 2.265 -2.309 -1.718) 3.662 6.971 ( -4.064 2.656 1.133) 4.985 7.138 ( 0.622 -0.009 2.818) 2.886 7.560 ( 6.425 0.161 -6.725) 9.303 7.896 ( 1.785 5.977 1.541) 6.425 7.957 ( 2.012 2.119 -1.720) 3.391 8.172 ( -4.978 -0.935 -2.743) 5.760 8.316 ( 2.222 0.601 -1.920) 2.998 8.482 ( 4.634 -2.993 -2.394) 6.014 8.665 ( 1.212 1.911 -2.917) 3.692 8.828 ( -0.770 -1.288 -0.621) 1.625 8.992 ( 2.109 1.991 -1.800) 3.413 9.097 ( -4.259 -1.009 0.143) 4.379 9.208 ( -2.040 -0.792 1.949) 2.930 9.393 ( -1.851 0.835 2.658) 3.345 ======================= Grid point 23 (18/105) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 0.181 -1.541 -0.621) 1.671 1.323 ( 14.054 -6.497 -4.861) 16.228 1.492 ( 5.611 -12.629 -5.541) 14.889 1.743 ( 1.155 -0.929 0.669) 1.626 1.815 ( 2.902 1.155 0.727) 3.207 2.032 ( -0.224 -1.914 -2.420) 3.094 2.249 ( -3.110 2.978 -0.924) 4.404 2.290 ( -0.728 4.480 1.046) 4.657 2.423 ( 1.174 -1.822 -0.034) 2.167 2.574 ( -2.537 -0.850 -2.577) 3.715 2.683 ( -1.479 1.154 -5.170) 5.500 2.814 ( 6.064 -11.813 -7.750) 15.375 2.960 ( -0.211 -2.832 1.581) 3.251 3.087 ( -4.856 4.022 -1.277) 6.433 3.441 ( -4.411 -0.279 2.095) 4.891 3.607 ( -0.123 1.955 -2.139) 2.900 3.710 ( -1.413 2.663 -0.971) 3.167 3.976 ( -6.804 3.897 2.460) 8.218 4.122 ( -3.592 -0.423 -0.610) 3.668 5.093 ( 12.668 0.096 2.110) 12.843 5.548 ( -3.110 -6.574 4.170) 8.383 5.697 ( -0.332 -0.855 -1.185) 1.499 5.937 ( -1.413 -1.001 7.948) 8.134 6.172 ( -6.058 -0.596 5.961) 8.519 6.285 ( 2.386 -2.313 0.789) 3.415 6.474 ( -0.278 1.144 0.664) 1.351 6.595 ( 3.878 -2.421 5.564) 7.201 6.695 ( 2.876 -1.678 -3.300) 4.688 7.047 ( -3.435 2.698 2.501) 5.033 7.190 ( 0.794 1.809 2.351) 3.071 7.472 ( 5.112 -1.536 -4.599) 7.045 7.900 ( 0.765 1.049 -3.704) 3.925 7.988 ( 2.880 0.359 -1.608) 3.318 8.151 ( -2.079 3.816 -2.378) 4.954 8.284 ( -1.655 -3.361 -0.347) 3.762 8.415 ( 3.290 -0.443 -2.636) 4.239 8.582 ( 4.061 -6.507 -3.200) 8.312 8.778 ( -0.639 0.600 -4.305) 4.393 9.045 ( -1.654 7.820 -2.540) 8.387 9.099 ( -4.333 0.172 0.962) 4.442 9.265 ( 0.186 1.255 5.102) 5.257 9.446 ( -1.791 0.918 3.111) 3.706 ======================= Grid point 24 (19/105) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 3.640 -5.626 -1.818) 6.943 1.150 ( 17.948 -9.132 -4.601) 20.656 1.256 ( 6.351 -10.602 -3.162) 12.757 1.729 ( 1.510 -2.819 0.506) 3.238 1.826 ( 2.434 -0.904 0.295) 2.613 1.945 ( 3.431 -7.336 -4.932) 9.482 2.163 ( 6.289 -12.403 -3.594) 14.363 2.342 ( -1.782 1.327 -0.107) 2.225 2.361 ( -1.446 1.243 0.461) 1.961 2.549 ( -1.743 -0.080 -1.400) 2.237 2.600 ( 3.562 -1.406 -2.731) 4.704 2.696 ( 0.811 1.052 -1.167) 1.768 2.970 ( -4.462 1.967 0.768) 4.936 3.176 ( -7.760 7.927 0.816) 11.124 3.467 ( -3.732 -1.955 2.574) 4.938 3.578 ( -1.370 1.022 -3.794) 4.162 3.779 ( -0.315 7.174 0.469) 7.196 4.036 ( -2.997 -2.180 1.342) 3.942 4.117 ( -6.857 5.303 -1.496) 8.796 5.124 ( 14.973 1.484 1.371) 15.109 5.449 ( -5.561 -12.302 1.693) 13.606 5.684 ( -0.042 -0.061 -0.804) 0.807 6.035 ( -2.527 0.327 6.135) 6.643 6.232 ( -0.267 -1.965 2.141) 2.918 6.281 ( -0.368 1.393 2.238) 2.662 6.461 ( 5.798 -5.701 2.381) 8.473 6.625 ( 3.279 -4.986 4.700) 7.596 6.693 ( -1.246 8.628 -2.766) 9.145 7.095 ( -3.187 0.946 1.057) 3.488 7.228 ( 0.481 1.487 -0.512) 1.644 7.404 ( 4.699 -2.523 -1.207) 5.468 7.866 ( 1.874 -0.192 -1.681) 2.524 7.934 ( 4.391 -1.434 -3.487) 5.787 8.135 ( 0.775 -3.776 -2.681) 4.696 8.240 ( -3.347 -1.384 0.599) 3.672 8.417 ( 1.929 2.041 -0.416) 2.839 8.465 ( 1.869 -2.440 -2.723) 4.106 8.728 ( -1.424 0.377 -4.168) 4.420 9.095 ( -6.254 2.843 -0.675) 6.903 9.140 ( -1.933 4.606 -0.171) 4.998 9.355 ( 1.939 1.997 4.013) 4.884 9.493 ( -1.879 0.738 1.875) 2.755 ======================= Grid point 25 (20/105) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 11.781 -11.749 -0.000) 16.639 0.980 ( 19.046 -10.729 -0.000) 21.860 1.147 ( 3.876 -3.701 -0.000) 5.359 1.548 ( 18.883 -23.653 -0.000) 30.266 1.773 ( 0.722 -2.779 -0.000) 2.871 1.820 ( 3.735 -1.624 -0.000) 4.073 2.052 ( 2.137 -3.139 -0.000) 3.798 2.359 ( -0.295 0.158 0.000) 0.334 2.395 ( -3.477 3.396 0.000) 4.860 2.525 ( -2.812 -1.078 0.000) 3.012 2.589 ( 4.037 0.812 -0.000) 4.118 2.716 ( -0.200 1.999 0.000) 2.009 3.028 ( -5.652 5.430 0.000) 7.837 3.297 ( -10.234 7.925 0.000) 12.944 3.426 ( -0.972 -5.508 -0.000) 5.593 3.577 ( 1.147 2.507 0.000) 2.757 3.887 ( -1.285 6.991 0.000) 7.108 3.973 ( -1.967 -6.089 -0.000) 6.399 4.221 ( -8.051 9.838 0.000) 12.712 5.180 ( 16.972 5.225 -0.000) 17.758 5.272 ( -6.639 -15.727 -0.000) 17.071 5.666 ( 0.677 -1.371 -0.000) 1.529 6.085 ( -3.570 0.442 0.000) 3.597 6.219 ( 1.748 -0.349 -0.000) 1.783 6.339 ( 2.214 3.245 0.000) 3.928 6.396 ( 3.956 -6.037 -0.000) 7.218 6.586 ( 2.430 -5.514 -0.000) 6.025 6.820 ( -0.754 11.397 0.000) 11.422 7.106 ( -4.194 -0.104 0.000) 4.195 7.231 ( 0.899 0.142 -0.000) 0.910 7.361 ( 2.444 -2.816 -0.000) 3.729 7.849 ( 1.585 -5.205 -0.000) 5.441 7.879 ( 10.796 1.256 -0.000) 10.868 8.032 ( 0.980 -6.801 -0.000) 6.871 8.244 ( -1.586 1.074 0.000) 1.915 8.397 ( 0.684 -0.814 -0.000) 1.064 8.488 ( -3.371 3.849 0.000) 5.116 8.685 ( -3.014 -1.477 0.000) 3.356 9.126 ( -5.612 2.451 0.000) 6.124 9.195 ( -2.294 3.457 0.000) 4.149 9.407 ( 2.204 1.013 -0.000) 2.426 9.515 ( -1.749 0.826 0.000) 1.934 ======================= Grid point 26 (21/105) ======================= q-point: (-0.11 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 15.350 -9.605 6.190) 19.136 0.847 ( 16.127 -14.530 8.627) 23.359 1.120 ( 3.127 -1.397 0.837) 3.526 1.395 ( 28.783 -11.012 16.133) 34.785 1.754 ( 0.216 -0.614 -0.309) 0.720 1.805 ( 3.434 -1.395 1.002) 3.840 2.018 ( 1.802 -0.878 -1.432) 2.463 2.356 ( -1.658 0.099 -0.251) 1.680 2.447 ( -2.137 3.048 0.796) 3.807 2.522 ( -1.136 -1.693 1.830) 2.740 2.603 ( 2.418 -0.189 1.484) 2.844 2.737 ( -1.985 1.063 0.095) 2.254 3.102 ( -5.717 5.755 -0.976) 8.170 3.304 ( -5.164 -2.549 -3.409) 6.692 3.436 ( -4.004 4.591 2.482) 6.578 3.622 ( 3.561 1.211 2.128) 4.322 3.886 ( -2.615 -4.877 -1.228) 5.668 3.952 ( 0.379 3.060 -0.955) 3.228 4.375 ( -8.718 11.589 0.600) 14.515 5.011 ( -3.077 -17.574 -3.109) 18.110 5.254 ( 16.175 6.165 -2.279) 17.460 5.664 ( 1.696 -0.794 2.114) 2.824 6.066 ( -3.288 1.642 -3.778) 5.271 6.222 ( 2.692 1.309 -1.208) 3.228 6.286 ( 3.409 -5.883 -1.873) 7.053 6.374 ( 1.372 4.465 -4.201) 6.282 6.476 ( 2.362 -5.233 -4.608) 7.362 6.962 ( -3.195 7.222 0.153) 7.898 7.098 ( -5.948 0.429 -1.141) 6.071 7.231 ( 3.086 -2.457 1.674) 4.285 7.334 ( 1.147 -1.562 0.794) 2.094 7.771 ( 1.600 -4.383 1.573) 4.924 7.923 ( 9.922 -0.626 1.890) 10.120 7.974 ( 5.278 -2.904 3.395) 6.915 8.263 ( -1.412 0.587 -0.085) 1.532 8.416 ( -2.132 0.019 2.888) 3.590 8.526 ( -5.829 1.506 0.272) 6.026 8.732 ( -3.451 1.330 7.189) 8.084 9.154 ( -4.881 2.778 -1.188) 5.741 9.230 ( -2.794 0.753 0.577) 2.951 9.381 ( 2.321 -0.535 -3.427) 4.174 9.518 ( -1.607 1.118 -1.516) 2.476 ======================= Grid point 28 (22/105) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 0.118 -0.551 0.883) 1.047 1.309 ( 4.331 7.162 10.556) 13.471 1.454 ( 8.086 3.042 6.366) 10.731 1.727 ( 2.296 -1.090 0.910) 2.699 1.749 ( 0.169 3.449 -0.729) 3.529 1.999 ( 2.464 1.473 -1.221) 3.120 2.192 ( 0.391 -1.307 -4.244) 4.458 2.354 ( -0.340 -0.199 -1.196) 1.259 2.517 ( 0.573 -3.865 2.474) 4.624 2.607 ( 0.493 1.422 -0.391) 1.555 2.800 ( 1.377 1.486 7.175) 7.456 2.901 ( -3.020 -1.497 3.233) 4.670 3.025 ( 4.219 -0.343 9.494) 10.395 3.143 ( -1.693 2.717 -1.606) 3.582 3.470 ( -2.883 -6.123 -4.921) 8.368 3.593 ( -1.745 2.465 -2.707) 4.056 3.762 ( -0.763 2.703 2.075) 3.492 3.992 ( 1.932 -1.670 -2.988) 3.931 4.265 ( -8.165 -10.950 0.273) 13.662 4.892 ( -0.034 10.182 0.097) 10.183 5.378 ( 6.065 -0.036 -0.523) 6.088 5.712 ( -2.065 -0.569 0.030) 2.143 5.890 ( -5.018 1.050 1.885) 5.462 6.120 ( 3.890 -5.046 0.101) 6.372 6.237 ( 0.024 0.136 0.460) 0.480 6.372 ( 4.406 2.638 -1.347) 5.309 6.543 ( 3.144 0.844 5.134) 6.079 6.778 ( -5.193 -3.167 -1.259) 6.211 7.026 ( -2.355 1.059 -3.618) 4.444 7.121 ( -1.510 -1.321 -1.718) 2.641 7.501 ( 5.236 3.903 3.854) 7.583 7.871 ( 5.546 2.337 -6.686) 8.996 7.983 ( -1.551 1.403 -0.245) 2.105 8.175 ( 2.721 -1.553 2.591) 4.065 8.307 ( 2.871 -0.446 2.470) 3.813 8.465 ( -1.500 1.385 1.646) 2.622 8.611 ( -0.764 2.827 2.363) 3.763 8.805 ( 4.336 -1.637 -1.456) 4.858 9.073 ( -6.114 -2.018 -2.349) 6.854 9.199 ( -4.403 3.360 0.968) 5.622 9.246 ( -0.976 -3.728 -1.562) 4.158 9.405 ( -0.593 -1.814 -2.014) 2.774 ======================= Grid point 29 (23/105) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -0.294 -0.411 0.505) 0.715 1.511 ( 4.496 4.651 5.013) 8.184 1.592 ( 2.420 7.334 3.483) 8.472 1.721 ( 3.248 0.260 0.214) 3.265 1.819 ( 1.072 4.086 2.303) 4.811 1.997 ( -0.433 1.793 -2.796) 3.349 2.140 ( 3.209 1.183 -2.035) 3.980 2.312 ( -0.953 -2.180 -2.400) 3.379 2.462 ( -0.286 -5.532 -0.341) 5.550 2.601 ( -2.626 -1.484 -0.662) 3.088 2.846 ( -4.348 -1.867 -0.454) 4.754 2.862 ( -1.545 -1.050 -0.148) 1.874 3.084 ( 0.717 -1.035 -2.103) 2.451 3.289 ( 7.764 2.403 7.917) 11.346 3.381 ( -6.854 1.114 0.688) 6.978 3.562 ( -0.602 3.066 -5.161) 6.033 3.802 ( 1.024 -2.740 -0.711) 3.010 3.919 ( -0.844 -2.731 0.615) 2.924 4.118 ( -6.584 -9.487 -0.364) 11.554 5.035 ( 1.661 8.440 1.286) 8.697 5.396 ( 2.763 1.476 1.926) 3.677 5.719 ( -2.565 -0.340 2.382) 3.517 5.923 ( -3.329 -4.048 4.105) 6.658 6.099 ( 0.984 -1.936 2.996) 3.700 6.267 ( -0.330 1.531 3.027) 3.408 6.377 ( 3.642 -0.633 0.335) 3.712 6.578 ( -2.402 -1.686 1.782) 3.433 6.756 ( 0.225 1.159 0.040) 1.181 6.970 ( -2.226 -1.035 -4.146) 4.818 7.115 ( -0.495 0.208 1.376) 1.477 7.635 ( 4.355 7.597 2.757) 9.181 7.793 ( 8.047 1.456 -7.485) 11.086 7.958 ( -2.533 0.232 -2.615) 3.648 8.208 ( 1.456 -2.304 2.825) 3.925 8.330 ( 2.508 1.539 -0.567) 2.997 8.502 ( -2.547 2.827 0.787) 3.886 8.673 ( 2.454 3.918 -1.825) 4.970 8.769 ( 3.961 -0.809 -0.375) 4.060 9.019 ( -7.878 -1.396 -1.467) 8.134 9.166 ( -0.380 -5.080 -0.844) 5.164 9.247 ( -1.498 1.210 0.067) 1.927 9.349 ( -0.680 -2.927 -0.064) 3.005 ======================= Grid point 30 (24/105) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -0.441 -0.388 0.339) 0.678 1.574 ( 7.650 1.202 -0.375) 7.753 1.701 ( 0.970 4.487 0.145) 4.593 1.763 ( 2.707 2.887 2.033) 4.449 1.863 ( 1.819 -0.940 -1.370) 2.464 1.995 ( -1.808 3.542 -1.563) 4.273 2.144 ( -1.610 1.838 -3.473) 4.246 2.260 ( 3.594 -1.139 0.248) 3.778 2.393 ( -0.908 -3.706 1.605) 4.140 2.565 ( -4.933 -2.309 -0.144) 5.449 2.769 ( -3.332 -4.573 -2.603) 6.228 2.881 ( -1.080 4.403 -2.731) 5.292 3.005 ( 0.122 -2.444 -4.284) 4.933 3.296 ( -0.155 -3.694 -0.867) 3.798 3.431 ( -5.248 3.464 -1.778) 6.535 3.609 ( 2.939 2.821 1.472) 4.332 3.688 ( -0.165 -4.903 -4.269) 6.503 3.888 ( -1.942 -7.855 3.389) 8.773 4.055 ( -3.918 1.007 0.314) 4.057 5.148 ( 5.209 4.315 2.646) 7.263 5.464 ( -0.709 2.596 3.494) 4.410 5.754 ( -2.178 -1.658 3.323) 4.306 5.921 ( -1.064 -5.326 6.859) 8.749 6.083 ( -3.369 -3.348 0.334) 4.761 6.337 ( -0.602 0.110 2.464) 2.539 6.394 ( 2.509 -0.161 4.356) 5.029 6.597 ( -0.713 0.259 3.718) 3.795 6.795 ( 0.637 2.116 1.145) 2.489 6.902 ( -1.942 0.398 -3.745) 4.237 7.147 ( 0.402 -0.504 3.102) 3.168 7.649 ( 6.379 1.056 -7.504) 9.905 7.836 ( 3.826 7.471 1.556) 8.537 7.937 ( -1.214 1.434 -1.386) 2.335 8.165 ( -0.303 -4.454 -1.368) 4.669 8.331 ( 2.771 2.220 -3.210) 4.787 8.562 ( 0.317 4.611 -1.114) 4.754 8.637 ( 3.569 -1.490 -3.509) 5.222 8.793 ( 0.432 4.332 -1.233) 4.525 8.997 ( -9.791 0.122 -1.039) 9.847 9.070 ( 2.192 -5.912 -2.670) 6.847 9.241 ( 1.609 -2.763 2.994) 4.381 9.356 ( -2.128 0.186 2.980) 3.666 ======================= Grid point 31 (25/105) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -0.168 -0.620 0.071) 0.647 1.556 ( 11.372 -1.240 -1.994) 11.612 1.702 ( 3.541 -5.361 -3.748) 7.439 1.774 ( 1.542 -0.985 -0.553) 1.911 1.837 ( 4.234 1.562 0.883) 4.598 2.020 ( -2.284 1.449 -1.651) 3.169 2.115 ( -6.518 3.017 -2.336) 7.553 2.267 ( 0.782 0.518 0.569) 1.097 2.430 ( 1.719 1.549 3.474) 4.174 2.546 ( -3.516 -1.111 0.820) 3.777 2.660 ( -0.973 -1.706 -6.132) 6.439 2.857 ( -3.443 1.031 -6.742) 7.640 2.965 ( -2.588 0.471 0.671) 2.714 3.194 ( 5.185 -7.697 -2.870) 9.714 3.424 ( -3.372 -4.351 0.317) 5.513 3.577 ( -0.653 -0.155 -3.024) 3.098 3.620 ( -6.773 0.510 -2.077) 7.103 3.888 ( 0.592 1.388 2.571) 2.981 4.081 ( -2.856 0.938 0.059) 3.007 5.227 ( 8.267 2.056 2.705) 8.938 5.538 ( -3.599 -0.058 3.732) 5.185 5.725 ( -1.474 -4.061 -1.360) 4.529 5.969 ( 0.357 -3.944 8.562) 9.433 6.083 ( -5.776 -0.006 4.696) 7.444 6.344 ( 0.711 -1.489 0.610) 1.759 6.452 ( 2.039 0.643 3.595) 4.183 6.665 ( 1.119 -1.145 5.428) 5.659 6.776 ( 2.758 -1.781 -2.822) 4.329 6.954 ( -2.077 5.035 3.703) 6.586 7.178 ( 0.070 -0.033 1.974) 1.975 7.564 ( 6.093 -0.290 -5.235) 8.038 7.864 ( -3.030 1.676 -4.239) 5.473 8.005 ( 3.266 3.698 1.475) 5.149 8.089 ( -0.265 0.248 -3.232) 3.252 8.302 ( 1.522 0.401 -3.504) 3.841 8.513 ( 5.965 -3.233 -4.075) 7.915 8.639 ( -0.396 3.116 -0.869) 3.259 8.813 ( -0.193 -1.881 -0.630) 1.993 8.935 ( -2.347 -0.203 -5.889) 6.343 9.011 ( -5.608 2.002 -1.064) 6.049 9.281 ( 2.216 -0.966 6.109) 6.570 9.409 ( -1.915 0.721 3.360) 3.934 ======================= Grid point 32 (26/105) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 0.715 -1.031 -0.134) 1.262 1.485 ( 15.430 -5.388 -2.049) 16.472 1.511 ( 6.580 -11.379 -3.961) 13.728 1.767 ( 1.162 -1.163 0.614) 1.755 1.864 ( 2.573 0.518 0.332) 2.646 1.994 ( -1.180 -0.997 -1.403) 2.087 2.175 ( -5.868 5.124 0.661) 7.818 2.290 ( -1.106 2.381 -0.196) 2.632 2.440 ( 1.916 -3.543 -1.171) 4.194 2.524 ( -0.635 -0.028 -2.709) 2.782 2.630 ( 1.053 3.345 -0.128) 3.509 2.772 ( -2.071 -3.078 -3.419) 5.045 2.981 ( -6.246 -0.133 -1.283) 6.378 3.021 ( 7.922 -8.673 -0.293) 11.750 3.405 ( -6.328 -0.087 2.593) 6.839 3.526 ( -4.307 -0.283 -3.531) 5.577 3.668 ( -2.433 7.448 -0.848) 7.881 3.953 ( -1.021 3.926 1.343) 4.273 4.071 ( -2.457 -1.433 -0.972) 3.006 5.281 ( 10.671 1.791 1.719) 10.956 5.517 ( -5.749 -8.646 1.405) 10.478 5.672 ( -0.394 0.646 -1.581) 1.753 6.030 ( -0.197 -2.382 6.296) 6.735 6.178 ( -4.151 2.854 4.601) 6.822 6.315 ( 1.325 -2.952 0.065) 3.236 6.530 ( 2.714 4.090 3.565) 6.067 6.682 ( 3.323 -3.072 0.216) 4.531 6.722 ( 2.157 -3.277 1.043) 4.060 7.049 ( -1.219 0.774 2.925) 3.262 7.202 ( -0.215 2.096 -0.317) 2.131 7.502 ( 4.882 -1.675 -2.258) 5.633 7.838 ( -3.856 0.900 -0.791) 4.038 7.985 ( 2.944 1.808 -5.359) 6.376 8.131 ( 0.434 4.662 -0.001) 4.682 8.246 ( 0.468 -3.422 -1.979) 3.981 8.435 ( 4.146 -1.581 -1.729) 4.762 8.628 ( 3.949 -6.721 0.885) 7.845 8.714 ( 0.021 -2.942 -3.903) 4.888 8.934 ( -7.279 5.934 -2.706) 9.774 9.045 ( -4.438 4.102 -0.244) 6.048 9.358 ( 2.380 1.458 4.119) 4.976 9.456 ( -2.039 0.533 2.122) 2.991 ======================= Grid point 33 (27/105) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 2.839 -2.159 -0.000) 3.566 1.314 ( 10.326 -11.451 -0.000) 15.419 1.384 ( 14.748 -8.036 -0.000) 16.795 1.759 ( 1.979 -0.730 -0.000) 2.109 1.853 ( 1.378 -2.583 -0.000) 2.928 1.952 ( 1.064 -3.670 -0.000) 3.821 2.216 ( 1.350 -2.067 -0.000) 2.468 2.314 ( -0.189 1.026 0.000) 1.043 2.359 ( 2.397 -3.735 -0.000) 4.438 2.498 ( -2.266 -0.495 0.000) 2.320 2.661 ( 5.674 -0.304 -0.000) 5.683 2.708 ( 1.614 -0.461 -0.000) 1.679 2.922 ( -2.595 -0.431 0.000) 2.631 3.050 ( -8.829 5.854 0.000) 10.593 3.445 ( -5.444 -1.229 0.000) 5.581 3.503 ( -1.763 4.316 0.000) 4.663 3.770 ( -1.095 7.555 0.000) 7.634 4.013 ( -1.660 -2.364 -0.000) 2.888 4.042 ( -3.359 4.551 0.000) 5.656 5.325 ( 10.498 1.752 -0.000) 10.643 5.386 ( -2.269 -10.045 -0.000) 10.298 5.671 ( -0.940 0.160 0.000) 0.953 6.053 ( -1.278 -0.964 0.000) 1.601 6.246 ( 0.472 1.378 0.000) 1.457 6.293 ( -0.005 1.133 0.000) 1.133 6.589 ( 7.479 -7.228 -0.000) 10.401 6.662 ( 0.058 5.430 0.000) 5.430 6.690 ( 1.202 -0.798 -0.000) 1.443 7.054 ( -4.222 -1.927 0.000) 4.641 7.227 ( 0.806 1.890 0.000) 2.055 7.452 ( 3.662 -3.211 -0.000) 4.870 7.866 ( -2.642 1.376 0.000) 2.979 7.970 ( 5.278 3.144 -0.000) 6.143 8.156 ( 4.175 -6.658 -0.000) 7.859 8.183 ( -2.971 2.784 0.000) 4.072 8.425 ( 0.501 1.081 0.000) 1.191 8.510 ( 5.985 -8.191 -0.000) 10.145 8.663 ( -3.717 -2.201 0.000) 4.319 8.987 ( -8.062 4.061 0.000) 9.027 9.108 ( -2.439 5.147 0.000) 5.695 9.413 ( 2.023 1.967 -0.000) 2.822 9.477 ( -2.307 0.508 0.000) 2.363 ======================= Grid point 34 (28/105) ======================= q-point: (-0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 6.230 -3.787 1.317) 7.409 1.209 ( 10.780 -9.606 4.010) 14.985 1.276 ( 12.460 -9.579 3.413) 16.083 1.740 ( 4.356 -1.437 -0.432) 4.607 1.803 ( 1.565 -4.812 1.267) 5.216 1.922 ( 4.369 -3.597 3.900) 6.873 2.150 ( 12.435 -7.331 3.543) 14.864 2.314 ( -3.234 0.437 -1.900) 3.776 2.374 ( -1.318 2.866 1.736) 3.601 2.517 ( -1.823 -0.818 3.500) 4.030 2.656 ( 5.135 -0.542 0.363) 5.177 2.718 ( 0.194 0.753 -0.062) 0.780 2.955 ( -3.857 4.651 -0.428) 6.057 3.139 ( -10.532 5.734 0.264) 11.995 3.404 ( -1.501 -0.575 -1.415) 2.141 3.607 ( -0.080 5.012 3.355) 6.032 3.853 ( -2.480 4.788 -0.862) 5.460 3.944 ( -1.457 -5.047 -0.345) 5.265 4.150 ( -3.767 9.097 0.478) 9.858 5.180 ( -2.988 -13.672 -2.532) 14.222 5.386 ( 13.125 4.042 -1.269) 13.791 5.684 ( 0.278 0.101 1.890) 1.913 6.013 ( -1.662 0.672 -4.697) 5.028 6.248 ( 3.013 0.797 -0.871) 3.236 6.314 ( -0.022 4.644 -4.150) 6.228 6.458 ( 6.409 -7.810 -2.750) 10.470 6.579 ( 1.454 -5.487 -4.102) 7.004 6.810 ( -1.011 9.589 -0.309) 9.647 7.019 ( -7.272 -2.291 -0.418) 7.636 7.252 ( 0.361 0.890 0.587) 1.125 7.424 ( 4.460 -3.761 3.009) 6.564 7.840 ( 0.134 -1.400 -2.137) 2.558 8.047 ( -0.338 -4.328 3.346) 5.481 8.088 ( 10.754 0.356 3.370) 11.275 8.226 ( -0.951 2.096 0.997) 2.509 8.425 ( -0.794 -2.269 0.464) 2.448 8.457 ( 0.782 -1.277 1.976) 2.480 8.668 ( -5.055 -1.037 5.501) 7.542 9.035 ( -7.081 2.928 -0.345) 7.670 9.175 ( -1.553 3.455 0.683) 3.849 9.404 ( 1.116 0.372 -3.386) 3.585 9.475 ( -1.979 1.470 -2.193) 3.299 ======================= Grid point 35 (29/105) ======================= q-point: (-0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 7.381 -2.761 4.015) 8.844 1.121 ( 8.922 -10.949 6.024) 15.355 1.267 ( 11.956 -3.811 7.240) 14.488 1.722 ( 1.610 -1.077 0.195) 1.947 1.770 ( 2.195 -1.931 0.322) 2.941 1.961 ( 3.552 0.008 4.182) 5.487 2.156 ( 17.643 -3.401 9.321) 20.242 2.301 ( -3.529 0.358 -0.707) 3.616 2.435 ( -2.585 1.171 2.409) 3.722 2.555 ( 0.148 -0.078 3.253) 3.257 2.643 ( 3.084 -1.230 -0.706) 3.394 2.740 ( -0.610 0.147 3.171) 3.232 3.012 ( -4.351 4.666 -1.451) 6.543 3.176 ( -7.062 0.611 -1.094) 7.172 3.435 ( -1.435 4.535 1.949) 5.140 3.693 ( 2.133 1.441 2.031) 3.279 3.805 ( -3.858 -6.092 -3.335) 7.945 3.950 ( -0.704 4.263 0.512) 4.351 4.286 ( -4.870 9.834 -0.348) 10.979 4.952 ( -0.678 -13.329 -2.495) 13.578 5.406 ( 10.672 3.079 -2.873) 11.473 5.710 ( 1.012 -0.299 1.352) 1.715 5.963 ( -2.070 1.786 -5.495) 6.138 6.247 ( 4.283 1.714 -1.736) 4.929 6.292 ( 2.549 -1.056 -3.545) 4.492 6.343 ( 2.197 -0.234 -4.116) 4.672 6.459 ( 3.158 -4.188 -1.767) 5.535 6.891 ( -4.827 2.969 -1.930) 5.987 7.000 ( -5.770 1.318 -0.375) 5.930 7.252 ( -0.587 -0.940 -1.225) 1.652 7.422 ( 5.415 -3.845 4.018) 7.763 7.818 ( 0.310 -1.451 3.208) 3.535 7.982 ( 2.219 -2.229 -2.608) 4.086 8.181 ( 8.021 -0.104 5.949) 9.987 8.259 ( 3.802 1.201 0.595) 4.031 8.403 ( -3.656 -2.077 0.431) 4.227 8.487 ( -2.820 -0.308 4.138) 5.017 8.777 ( -3.571 2.502 6.561) 7.877 9.054 ( -6.354 2.752 -1.943) 7.192 9.203 ( -1.848 -0.447 -0.162) 1.908 9.357 ( 0.215 -0.637 -2.514) 2.603 9.460 ( -1.859 1.993 -3.404) 4.360 ======================= Grid point 37 (30/105) ======================= q-point: ( 0.11 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -0.339 -0.427 0.016) 0.545 1.441 ( -1.967 6.903 3.239) 7.874 1.526 ( 0.081 3.720 0.094) 3.722 1.740 ( 0.946 0.246 -0.521) 1.108 1.829 ( 2.180 1.705 2.547) 3.762 1.959 ( 0.001 0.921 -2.207) 2.392 2.180 ( 2.207 -0.339 -2.399) 3.278 2.328 ( 0.520 -0.915 0.591) 1.207 2.550 ( 1.467 -4.833 0.762) 5.107 2.591 ( -1.214 -1.049 -1.825) 2.430 2.795 ( -3.201 0.805 -1.545) 3.645 2.874 ( -0.700 -2.337 -0.305) 2.459 3.083 ( -0.904 0.415 -1.066) 1.458 3.249 ( -6.888 2.446 -5.523) 9.162 3.378 ( 6.781 1.383 6.191) 9.285 3.547 ( 1.126 -0.952 -2.604) 2.993 3.787 ( -2.171 2.142 3.213) 4.430 3.968 ( 0.447 -3.807 -2.313) 4.477 4.197 ( -2.516 -9.720 1.141) 10.105 4.897 ( -0.328 10.317 1.151) 10.387 5.434 ( 1.863 -0.824 1.180) 2.354 5.698 ( -0.936 -0.240 1.510) 1.793 5.870 ( -4.080 1.001 3.804) 5.668 6.193 ( 2.826 -3.608 3.148) 5.560 6.248 ( -0.464 0.023 1.540) 1.608 6.402 ( -0.042 0.791 -0.214) 0.820 6.565 ( -2.609 -1.844 -0.854) 3.307 6.753 ( 1.169 0.707 0.303) 1.400 6.960 ( -0.378 -0.436 -2.792) 2.851 7.121 ( 0.899 -0.341 2.863) 3.020 7.583 ( 1.606 5.576 0.175) 5.805 7.873 ( 4.435 0.536 -2.137) 4.952 7.931 ( -1.114 -1.104 -3.885) 4.189 8.224 ( -0.866 1.873 3.071) 3.699 8.361 ( 2.021 -1.053 0.486) 2.330 8.457 ( -0.501 -0.131 -1.345) 1.442 8.634 ( 1.010 4.112 -1.299) 4.429 8.849 ( 2.927 -1.270 -0.284) 3.203 8.935 ( -5.240 -2.240 -4.000) 6.962 9.163 ( -2.287 1.764 1.483) 3.247 9.255 ( 1.691 -1.825 1.664) 2.994 9.382 ( -0.149 -2.036 -0.530) 2.110 ======================= Grid point 38 (31/105) ======================= q-point: ( 0.22 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -0.686 -0.249 0.163) 0.747 1.561 ( -3.597 8.728 -1.834) 9.617 1.603 ( -2.704 5.404 1.195) 6.160 1.734 ( 1.600 0.714 -0.852) 1.948 1.874 ( -1.129 4.267 -2.457) 5.052 1.968 ( 3.077 -0.070 2.422) 3.917 2.130 ( 1.191 -0.487 -4.037) 4.237 2.334 ( 3.677 -1.542 2.008) 4.464 2.470 ( 2.530 -4.729 -1.184) 5.492 2.546 ( -3.877 -3.366 0.164) 5.137 2.765 ( -3.579 -1.602 -2.239) 4.515 2.836 ( 0.051 0.641 -2.828) 2.900 3.045 ( 1.552 -1.337 -4.909) 5.319 3.205 ( -12.283 4.904 -4.985) 14.134 3.377 ( 0.727 -3.674 -2.184) 4.336 3.614 ( 5.634 4.159 3.451) 7.807 3.768 ( -2.238 -7.492 -0.624) 7.844 3.948 ( -0.489 2.569 1.916) 3.242 4.066 ( 0.039 -10.528 0.229) 10.531 5.073 ( 0.227 10.582 2.643) 10.909 5.456 ( 0.456 -0.632 3.464) 3.551 5.733 ( -1.683 -0.082 3.363) 3.762 5.923 ( -4.703 -1.622 4.070) 6.428 6.161 ( 1.484 -7.466 3.136) 8.233 6.310 ( -1.478 1.231 3.786) 4.246 6.411 ( -1.349 0.603 3.138) 3.468 6.562 ( -1.565 1.794 1.344) 2.734 6.771 ( 0.535 0.870 0.833) 1.318 6.903 ( 1.459 -0.409 -4.008) 4.284 7.169 ( 1.638 -0.626 4.098) 4.457 7.648 ( 0.618 6.334 -4.954) 8.065 7.832 ( 3.311 0.386 -3.276) 4.674 7.916 ( 1.718 1.536 1.967) 3.030 8.250 ( 0.926 -3.800 0.004) 3.911 8.335 ( 1.858 0.640 -2.389) 3.094 8.461 ( -1.950 4.641 -2.193) 5.491 8.665 ( 1.151 5.633 -4.072) 7.046 8.793 ( -1.269 -2.562 -3.912) 4.845 8.877 ( -3.019 -0.807 -0.883) 3.247 9.164 ( 0.898 -3.249 -0.611) 3.426 9.285 ( 2.083 0.176 3.714) 4.262 9.352 ( -0.788 -3.027 2.440) 3.966 ======================= Grid point 39 (32/105) ======================= q-point: ( 0.33 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -0.570 -0.238 0.270) 0.674 1.620 ( -0.527 5.052 -3.359) 6.090 1.688 ( -4.776 6.858 -1.051) 8.423 1.749 ( 1.502 2.238 -0.319) 2.714 1.892 ( 2.567 2.372 -1.159) 3.682 1.976 ( -2.761 -1.134 -1.171) 3.206 2.074 ( 3.093 -2.090 -0.989) 3.862 2.303 ( 2.035 -2.829 -1.326) 3.728 2.448 ( 2.170 -0.225 2.097) 3.026 2.522 ( -2.531 -1.945 2.543) 4.081 2.690 ( -1.175 -3.437 -3.343) 4.937 2.809 ( -0.664 1.370 -5.291) 5.506 2.944 ( 0.005 -0.665 -4.974) 5.018 3.228 ( -9.843 3.784 -1.698) 10.681 3.328 ( -2.328 0.167 -0.498) 2.386 3.587 ( -3.251 -6.459 -2.657) 7.703 3.694 ( 5.036 -5.019 -0.466) 7.125 3.945 ( 3.746 -5.258 0.672) 6.490 4.017 ( -2.513 2.882 0.925) 3.934 5.237 ( 2.563 7.590 2.765) 8.475 5.501 ( -2.114 -0.907 4.293) 4.871 5.741 ( -2.749 -2.348 -1.306) 3.844 5.966 ( -3.753 -0.057 5.771) 6.884 6.112 ( 0.989 -7.527 5.987) 9.668 6.337 ( -2.211 0.001 0.747) 2.333 6.499 ( 2.853 0.007 5.451) 6.152 6.643 ( -3.433 1.496 5.771) 6.880 6.789 ( -1.427 1.349 -1.518) 2.482 6.888 ( 3.970 4.418 0.381) 5.952 7.201 ( 1.195 -1.514 2.583) 3.223 7.618 ( 1.733 1.930 -6.043) 6.576 7.802 ( -1.575 0.542 -2.728) 3.196 8.001 ( 4.599 3.957 2.982) 6.760 8.144 ( 2.263 -4.667 -4.804) 7.069 8.312 ( 1.167 1.008 -3.281) 3.626 8.517 ( -2.871 6.539 -1.527) 7.303 8.643 ( 3.667 -0.420 -4.563) 5.868 8.749 ( -5.050 3.858 -2.895) 6.984 8.862 ( -2.706 0.312 -1.133) 2.950 9.067 ( 2.754 -6.879 -2.678) 7.879 9.336 ( 2.828 -1.347 4.927) 5.838 9.379 ( -1.678 -0.363 4.129) 4.472 ======================= Grid point 40 (33/105) ======================= q-point: (-0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -0.115 -0.306 0.124) 0.350 1.620 ( 0.642 1.382 -3.457) 3.778 1.735 ( 6.487 -1.838 -0.690) 6.778 1.764 ( 0.593 4.362 -1.108) 4.540 1.882 ( -2.286 -2.878 -0.375) 3.694 1.966 ( -1.867 2.521 -1.085) 3.319 2.056 ( -0.278 -0.810 2.688) 2.821 2.261 ( 0.380 -0.209 -1.487) 1.549 2.468 ( -0.331 -0.225 1.036) 1.111 2.562 ( -1.133 0.784 2.015) 2.441 2.590 ( 2.475 -2.285 -3.840) 5.108 2.727 ( -1.681 -0.184 -5.010) 5.288 2.922 ( -2.901 0.535 -0.501) 2.993 3.252 ( 2.496 -1.108 2.112) 3.452 3.353 ( -5.005 4.298 -2.338) 6.999 3.451 ( -5.640 -7.364 -2.566) 9.624 3.595 ( 2.254 -3.589 -0.893) 4.331 3.934 ( 2.627 1.156 0.104) 2.872 4.047 ( -1.844 0.597 0.015) 1.938 5.350 ( 5.388 4.742 1.691) 7.374 5.523 ( -5.695 -4.357 2.999) 7.773 5.669 ( -0.551 -0.872 -3.302) 3.459 6.062 ( -2.061 0.899 5.342) 5.796 6.115 ( 0.197 -3.434 5.304) 6.322 6.345 ( -0.697 0.060 0.171) 0.720 6.544 ( 2.793 -1.325 3.603) 4.747 6.704 ( -1.867 0.058 1.867) 2.641 6.779 ( 0.925 0.106 -0.867) 1.273 7.015 ( 1.406 5.785 4.430) 7.421 7.197 ( 0.397 -1.905 0.555) 2.024 7.564 ( 1.694 0.161 -3.762) 4.129 7.779 ( -2.118 -0.027 -0.576) 2.195 8.004 ( 1.451 -1.339 -5.264) 5.622 8.090 ( 1.931 2.542 -0.173) 3.196 8.284 ( 1.402 0.412 -1.840) 2.349 8.543 ( 4.505 -0.825 -2.290) 5.121 8.617 ( -3.556 2.047 0.700) 4.162 8.772 ( -1.741 5.055 -3.231) 6.247 8.848 ( -2.579 -2.691 -0.826) 3.818 8.944 ( 0.525 -2.841 -2.108) 3.576 9.384 ( 2.246 -0.455 3.758) 4.401 9.426 ( -1.462 0.225 2.447) 2.860 ======================= Grid point 42 (34/105) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 0.498 -0.226 -0.000) 0.546 1.559 ( 4.469 -6.339 -0.000) 7.756 1.665 ( 11.600 -6.228 -0.000) 13.167 1.794 ( 2.275 -0.317 -0.000) 2.297 1.863 ( -3.645 1.306 0.000) 3.872 1.966 ( -1.293 -1.395 -0.000) 1.902 2.112 ( -4.213 4.357 0.000) 6.060 2.263 ( -1.804 2.063 0.000) 2.740 2.473 ( 0.851 -0.902 -0.000) 1.240 2.499 ( 4.088 -2.499 -0.000) 4.791 2.637 ( -4.437 5.490 0.000) 7.059 2.702 ( -1.151 0.837 0.000) 1.423 2.907 ( -2.322 -2.189 0.000) 3.191 3.171 ( 13.040 -11.939 -0.000) 17.680 3.342 ( -4.630 1.137 0.000) 4.768 3.438 ( -4.423 3.941 0.000) 5.924 3.625 ( -2.850 7.898 0.000) 8.396 3.956 ( -0.507 1.857 0.000) 1.925 4.039 ( -0.869 -1.565 -0.000) 1.790 5.406 ( 2.537 -0.584 -0.000) 2.603 5.469 ( 0.786 -2.756 -0.000) 2.866 5.651 ( -0.774 0.412 0.000) 0.877 6.078 ( 0.834 -2.740 -0.000) 2.864 6.171 ( -1.976 4.426 0.000) 4.847 6.333 ( 1.212 -1.907 -0.000) 2.259 6.586 ( 0.965 4.001 0.000) 4.115 6.707 ( -0.694 -1.654 -0.000) 1.794 6.758 ( 3.093 -2.669 -0.000) 4.085 7.066 ( -0.851 -4.072 -0.000) 4.160 7.200 ( 0.350 2.893 0.000) 2.914 7.527 ( 1.923 -1.536 -0.000) 2.461 7.792 ( -2.779 1.697 0.000) 3.256 7.963 ( 0.875 2.229 0.000) 2.394 8.112 ( -2.113 0.944 0.000) 2.314 8.270 ( 2.537 -1.023 -0.000) 2.736 8.497 ( 6.747 -2.984 -0.000) 7.377 8.630 ( -3.928 -1.677 0.000) 4.271 8.731 ( 4.168 -8.874 -0.000) 9.804 8.824 ( -3.741 4.613 0.000) 5.940 8.977 ( -4.732 6.470 0.000) 8.016 9.416 ( 1.782 1.267 -0.000) 2.187 9.444 ( -1.933 -0.152 0.000) 1.939 ======================= Grid point 43 (35/105) ======================= q-point: (-0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 1.192 -0.314 -0.117) 1.238 1.479 ( 9.028 -8.762 4.229) 13.273 1.572 ( 10.059 -8.925 1.488) 13.529 1.777 ( 0.908 -0.662 -0.929) 1.458 1.872 ( 1.228 -2.516 0.943) 2.954 1.949 ( -2.197 -0.666 1.200) 2.591 2.162 ( -5.624 4.207 -1.475) 7.177 2.304 ( -2.173 1.997 1.760) 3.436 2.447 ( 4.940 -1.336 -0.430) 5.136 2.510 ( 0.539 -0.887 3.035) 3.207 2.688 ( -1.216 2.580 -1.495) 3.220 2.738 ( 0.809 0.144 3.238) 3.341 2.898 ( -3.132 -0.444 3.276) 4.554 3.052 ( 9.524 -4.586 0.581) 10.587 3.354 ( -3.149 2.434 -2.213) 4.554 3.524 ( -0.033 5.567 3.318) 6.481 3.746 ( -3.090 6.979 0.407) 7.643 3.984 ( -1.278 0.945 -0.799) 1.779 4.018 ( -1.732 0.554 0.661) 1.935 5.302 ( -2.637 -9.503 -1.994) 10.062 5.485 ( 8.498 3.548 -2.383) 9.513 5.676 ( 0.039 0.825 2.847) 2.964 6.011 ( 0.984 -1.215 -5.092) 5.327 6.210 ( -0.967 6.477 -5.075) 8.286 6.308 ( 2.368 -1.143 -0.111) 2.632 6.601 ( -0.277 -0.249 -5.107) 5.121 6.655 ( 3.198 -2.518 -3.693) 5.495 6.735 ( 2.574 -0.230 2.269) 3.439 6.976 ( -5.396 -4.917 -1.629) 7.480 7.234 ( -0.316 1.855 -0.461) 1.937 7.527 ( 3.454 -2.680 4.026) 5.943 7.806 ( -2.550 2.025 -1.461) 3.570 8.051 ( -0.905 1.849 4.426) 4.881 8.119 ( -4.163 -0.137 1.829) 4.549 8.262 ( 4.673 -0.491 1.397) 4.902 8.454 ( 3.924 -3.897 0.208) 5.534 8.600 ( 4.128 -4.139 2.300) 6.282 8.644 ( -0.691 -5.552 3.126) 6.408 8.891 ( -6.729 3.204 1.216) 7.551 9.079 ( -2.696 6.708 1.038) 7.304 9.410 ( 1.096 0.623 -3.220) 3.458 9.428 ( -2.222 1.120 -2.758) 3.714 ======================= Grid point 44 (36/105) ======================= q-point: (-0.22 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 1.707 -0.416 0.112) 1.761 1.414 ( 10.249 -10.885 4.127) 15.510 1.496 ( 9.117 -6.458 4.798) 12.159 1.753 ( 0.176 -1.041 -0.994) 1.450 1.828 ( 0.619 -4.757 1.160) 4.936 1.980 ( 0.746 0.871 2.026) 2.328 2.180 ( -6.280 1.953 -1.700) 6.793 2.370 ( -0.812 2.656 2.446) 3.701 2.434 ( 5.463 -2.097 3.415) 6.775 2.536 ( -1.054 1.139 0.522) 1.637 2.713 ( 0.830 1.385 0.379) 1.658 2.762 ( 3.845 -2.543 5.150) 6.912 2.956 ( 4.199 0.605 2.643) 4.999 3.062 ( -2.627 1.746 2.543) 4.052 3.370 ( -0.847 3.484 -0.352) 3.603 3.653 ( -0.273 5.015 2.898) 5.799 3.792 ( -3.666 1.546 -1.675) 4.317 3.939 ( 1.589 -3.122 -0.591) 3.553 4.106 ( -3.257 9.323 -0.427) 9.885 5.118 ( -0.849 -12.055 -3.016) 12.456 5.480 ( 5.357 2.291 -3.786) 6.948 5.727 ( 1.967 0.734 1.225) 2.431 5.936 ( 1.397 1.205 -5.296) 5.608 6.227 ( 0.640 7.547 -5.742) 9.505 6.300 ( 3.172 0.503 -0.891) 3.332 6.460 ( 2.208 -6.624 -6.113) 9.280 6.557 ( 2.798 -3.953 -2.449) 5.427 6.791 ( -0.348 4.618 -0.972) 4.732 6.922 ( -6.662 -2.269 1.285) 7.154 7.236 ( -1.377 0.794 -1.992) 2.549 7.548 ( 3.948 -4.473 5.531) 8.136 7.818 ( -1.498 0.639 1.078) 1.953 8.013 ( -3.755 -3.732 -3.071) 6.120 8.215 ( 0.123 1.526 4.886) 5.121 8.311 ( 4.672 3.909 2.429) 6.558 8.403 ( -0.629 -4.921 1.687) 5.240 8.563 ( 7.122 -5.787 3.365) 9.774 8.695 ( -3.244 1.082 7.184) 7.956 8.933 ( -6.444 2.257 -0.596) 6.854 9.168 ( -1.354 3.268 1.083) 3.699 9.358 ( -0.814 -0.682 -3.437) 3.598 9.405 ( -1.124 2.882 -4.574) 5.522 ======================= Grid point 45 (37/105) ======================= q-point: (-0.11 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 1.302 0.263 0.741) 1.521 1.327 ( 8.643 -9.576 5.396) 13.983 1.496 ( 6.961 -2.614 2.950) 7.999 1.729 ( 0.927 -1.571 0.679) 1.947 1.792 ( 1.034 -2.739 1.204) 3.166 2.003 ( 0.510 1.168 -1.129) 1.702 2.188 ( -4.888 0.987 0.155) 4.989 2.385 ( -0.976 0.586 -2.652) 2.886 2.510 ( 2.228 -0.503 7.429) 7.772 2.576 ( -0.395 4.274 -0.087) 4.293 2.725 ( 2.906 -1.528 3.386) 4.717 2.829 ( 3.950 0.096 5.861) 7.069 2.993 ( 5.040 0.712 2.589) 5.711 3.108 ( -3.215 -0.334 2.015) 3.809 3.451 ( -1.100 5.029 2.698) 5.812 3.645 ( -6.932 -4.228 -4.429) 9.249 3.774 ( 3.784 -1.476 -1.399) 4.296 3.950 ( -0.607 4.350 1.199) 4.553 4.223 ( -2.249 9.118 -1.816) 9.565 4.917 ( 0.062 -11.099 -2.095) 11.295 5.458 ( 3.174 1.505 -3.052) 4.653 5.718 ( 0.341 -0.361 -1.612) 1.686 5.885 ( 1.721 0.474 -4.959) 5.271 6.259 ( 0.432 2.491 -2.550) 3.591 6.271 ( 1.032 0.057 -4.070) 4.200 6.350 ( 5.726 0.370 -0.765) 5.788 6.512 ( 2.293 -1.715 2.351) 3.705 6.798 ( -3.950 -0.290 -1.826) 4.362 6.948 ( -2.764 1.972 1.416) 3.679 7.197 ( -1.913 -0.665 -3.926) 4.417 7.542 ( 3.075 -5.440 3.977) 7.408 7.867 ( -0.458 0.954 4.496) 4.619 7.934 ( -1.715 -0.185 -3.725) 4.105 8.240 ( 0.775 -1.540 -0.484) 1.790 8.365 ( -0.532 -2.509 1.341) 2.895 8.416 ( 3.663 3.589 2.709) 5.800 8.552 ( 3.660 -4.217 5.233) 7.652 8.818 ( -1.715 2.530 5.333) 6.146 8.945 ( -5.674 2.348 -1.261) 6.269 9.175 ( -0.322 -1.338 -1.607) 2.116 9.315 ( -1.990 -0.386 -2.268) 3.042 9.395 ( -0.765 2.852 -2.369) 3.785 ======================= Grid point 93 (38/105) ======================= q-point: ( 0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 6.606 5.574 5.643) 10.322 1.128 ( 9.160 15.994 9.751) 20.851 1.185 ( 6.367 5.784 3.209) 9.181 1.695 ( 2.687 3.212 2.199) 4.730 1.800 ( 3.088 1.395 0.644) 3.449 1.927 ( 7.292 5.607 8.217) 12.334 2.066 ( 9.899 8.890 6.035) 14.609 2.338 ( -0.520 -1.967 -0.866) 2.211 2.423 ( -3.971 -1.734 2.165) 4.844 2.567 ( 1.179 0.044 1.584) 1.975 2.622 ( 0.348 1.647 1.457) 2.227 2.742 ( -1.358 -1.057 3.538) 3.934 3.007 ( -5.218 -5.169 -1.304) 7.459 3.246 ( -3.881 -5.046 -2.429) 6.814 3.428 ( -0.564 -4.742 0.185) 4.780 3.645 ( -1.061 2.072 3.286) 4.026 3.846 ( -4.324 0.562 -2.490) 5.022 3.974 ( 4.261 -2.828 -0.461) 5.135 4.236 ( -9.775 -8.469 0.601) 12.947 5.086 ( 3.505 9.286 -5.470) 11.333 5.278 ( 8.477 2.360 1.433) 8.915 5.702 ( 0.102 0.591 1.966) 2.055 5.975 ( -2.587 -3.418 -5.048) 6.622 6.171 ( -0.789 2.089 -5.185) 5.645 6.265 ( -1.292 -0.006 -2.726) 3.017 6.363 ( 6.068 3.475 -0.300) 6.999 6.485 ( 5.214 3.280 -4.138) 7.421 6.836 ( -9.012 -3.386 -0.082) 9.627 7.085 ( -0.132 -4.362 -1.479) 4.608 7.246 ( -1.660 0.961 -1.123) 2.223 7.388 ( 3.890 5.935 2.677) 7.584 7.864 ( 3.217 -1.450 3.418) 4.912 7.979 ( 2.850 6.723 2.453) 7.704 8.074 ( 4.828 4.735 2.794) 7.317 8.239 ( -1.027 -0.762 -0.984) 1.614 8.460 ( -0.837 -0.440 2.536) 2.706 8.515 ( -1.469 -2.766 3.388) 4.613 8.786 ( -0.596 -1.700 2.703) 3.248 9.110 ( -1.544 -5.492 -1.100) 5.810 9.225 ( -3.003 -3.227 2.072) 4.871 9.320 ( -2.191 2.751 -3.687) 5.096 9.469 ( -1.107 -2.387 -3.332) 4.245 ======================= Grid point 94 (39/105) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 0.797 1.322 1.479) 2.137 1.351 ( 10.599 8.488 5.828) 14.776 1.440 ( 6.171 10.663 7.149) 14.244 1.722 ( 0.554 2.012 -0.851) 2.254 1.834 ( 4.327 1.635 1.509) 4.866 1.980 ( 0.425 0.953 -0.032) 1.043 2.220 ( -0.664 -1.208 -1.512) 2.046 2.346 ( -0.539 1.230 0.678) 1.504 2.478 ( -1.529 1.554 3.009) 3.716 2.574 ( -1.705 -3.244 2.124) 4.236 2.720 ( 5.226 4.053 5.614) 8.675 2.792 ( 0.928 2.072 7.197) 7.547 2.947 ( -2.453 -0.933 0.864) 2.763 3.165 ( -0.998 -4.675 1.195) 4.927 3.389 ( -4.891 -1.573 1.085) 5.251 3.700 ( -2.791 0.124 1.764) 3.304 3.798 ( 1.726 -2.539 -3.570) 4.709 3.921 ( -0.918 -1.522 -0.971) 2.026 4.149 ( -8.073 -4.667 -0.924) 9.371 5.071 ( 10.056 1.190 -3.994) 10.885 5.377 ( 0.519 6.064 0.730) 6.130 5.720 ( -0.157 -0.069 -0.122) 0.210 5.873 ( -1.642 -2.355 -3.825) 4.782 6.144 ( -6.305 2.919 -2.709) 7.457 6.256 ( 0.543 1.549 -0.598) 1.747 6.362 ( 6.085 1.183 -4.122) 7.445 6.512 ( 2.672 2.684 1.335) 4.015 6.791 ( -4.635 -1.698 -1.197) 5.079 7.006 ( 0.255 -4.485 -0.341) 4.505 7.213 ( -1.747 -0.889 -3.680) 4.170 7.537 ( 4.614 7.294 4.769) 9.861 7.891 ( 1.102 -2.038 4.304) 4.888 7.968 ( 5.116 -0.298 -6.481) 8.262 8.214 ( -3.082 4.469 -0.012) 5.429 8.276 ( 0.297 5.207 4.534) 6.910 8.458 ( 3.304 -1.652 2.174) 4.287 8.571 ( 2.057 0.404 5.362) 5.758 8.802 ( -1.163 0.185 1.770) 2.126 9.010 ( -1.344 -6.985 -0.687) 7.146 9.194 ( -1.206 -1.972 -1.045) 2.537 9.320 ( -3.183 0.616 -0.254) 3.252 9.373 ( -1.905 -3.052 -4.858) 6.045 ======================= Grid point 95 (40/105) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -0.200 0.312 0.413) 0.555 1.505 ( 9.012 4.995 0.427) 10.313 1.585 ( 6.837 2.500 3.020) 7.881 1.745 ( 0.444 1.234 -0.045) 1.312 1.889 ( 4.894 0.662 1.115) 5.063 1.976 ( 0.758 -0.197 0.325) 0.848 2.191 ( -1.118 -0.567 2.083) 2.431 2.318 ( -1.840 -0.783 -3.974) 4.449 2.463 ( -5.452 0.031 -3.830) 6.663 2.570 ( -4.584 -2.734 3.397) 6.327 2.754 ( -3.466 -0.716 1.918) 4.025 2.888 ( 3.030 -0.354 2.290) 3.814 3.066 ( 1.583 3.150 1.273) 3.748 3.195 ( 2.737 4.026 7.960) 9.330 3.419 ( -4.209 -0.296 3.218) 5.306 3.630 ( 4.147 -5.438 -6.100) 9.164 3.744 ( -2.619 0.830 -0.331) 2.767 3.911 ( -3.316 0.783 -1.496) 3.721 4.087 ( -6.976 -2.378 -0.004) 7.370 5.043 ( 10.568 0.424 -1.447) 10.675 5.433 ( -0.330 1.060 0.787) 1.361 5.698 ( -0.182 -1.125 -1.042) 1.545 5.828 ( -0.887 1.636 -2.220) 2.897 6.147 ( -6.301 -0.530 -1.228) 6.442 6.272 ( 1.643 -0.257 -0.275) 1.686 6.346 ( 0.850 3.958 -0.409) 4.069 6.550 ( -0.564 -0.326 0.787) 1.022 6.769 ( 0.492 0.169 0.021) 0.521 6.969 ( -0.458 -2.084 1.412) 2.559 7.137 ( -0.960 -1.817 -3.709) 4.240 7.670 ( 7.465 3.092 1.618) 8.240 7.881 ( 1.011 1.041 -3.818) 4.085 7.931 ( 0.306 -0.941 4.579) 4.685 8.221 ( -3.474 -0.034 -2.285) 4.158 8.355 ( 0.641 1.235 0.010) 1.392 8.496 ( 5.657 -0.463 2.263) 6.111 8.666 ( 3.195 5.076 3.101) 6.752 8.842 ( -0.274 1.088 1.603) 1.957 8.918 ( -2.023 -6.170 2.053) 6.810 9.154 ( -1.054 0.084 -2.480) 2.696 9.258 ( -1.539 -2.651 -4.286) 5.269 9.338 ( -4.081 0.102 1.099) 4.228 ======================= Grid point 96 (41/105) ======================= q-point: (-0.56 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -0.336 -0.208 -0.183) 0.436 1.475 ( 9.838 -2.115 -5.687) 11.558 1.610 ( 6.661 -4.477 -1.289) 8.128 1.745 ( 0.601 -0.590 -0.629) 1.051 1.816 ( 3.448 -2.641 -2.043) 4.799 2.036 ( 1.176 -0.154 3.018) 3.242 2.210 ( 1.384 -2.085 1.668) 3.008 2.296 ( -3.202 3.716 -0.002) 4.905 2.437 ( -5.629 2.118 -1.843) 6.290 2.585 ( -4.515 -0.030 1.407) 4.730 2.772 ( -3.855 2.187 -1.284) 4.615 2.905 ( 3.220 -1.878 2.270) 4.364 3.070 ( -0.753 1.081 -3.591) 3.825 3.236 ( 5.373 -5.857 -11.353) 13.859 3.373 ( -3.623 -1.009 3.343) 5.032 3.598 ( 1.891 1.892 2.911) 3.953 3.767 ( 1.406 2.889 -1.737) 3.653 3.910 ( -8.460 2.272 0.833) 8.799 4.095 ( -5.079 0.364 2.099) 5.508 5.042 ( 10.775 -0.062 0.735) 10.800 5.440 ( -0.230 -3.261 2.525) 4.131 5.692 ( -0.122 0.469 0.930) 1.049 5.837 ( -0.897 2.537 -1.025) 2.880 6.096 ( -5.212 -2.719 -1.184) 5.996 6.259 ( 1.995 -1.163 0.494) 2.362 6.420 ( -1.476 1.325 3.165) 3.735 6.532 ( -1.081 -0.556 -1.253) 1.746 6.768 ( 2.571 -1.448 -0.759) 3.047 6.984 ( -2.330 1.791 1.707) 3.398 7.108 ( 0.592 0.465 1.590) 1.759 7.626 ( 6.651 -2.721 -5.446) 9.016 7.917 ( 1.158 1.548 2.565) 3.212 7.988 ( 1.221 0.831 3.784) 4.062 8.174 ( -4.623 -1.114 -2.431) 5.341 8.337 ( 2.501 -1.284 -2.532) 3.784 8.483 ( 3.574 -1.193 -1.283) 3.980 8.695 ( 4.554 -2.813 -2.929) 6.102 8.831 ( -1.235 -0.994 -0.091) 1.588 8.973 ( -1.197 3.209 5.428) 6.418 9.145 ( -2.171 3.205 -1.649) 4.207 9.205 ( -1.579 0.874 -1.401) 2.284 9.363 ( -3.460 0.140 2.376) 4.199 ======================= Grid point 97 (42/105) ======================= q-point: (-0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 0.190 -1.343 -1.430) 1.971 1.327 ( 13.100 -5.638 -7.463) 16.097 1.418 ( 6.679 -11.208 -7.911) 15.258 1.720 ( 0.364 -1.652 0.258) 1.711 1.815 ( 4.167 0.287 0.587) 4.218 2.010 ( -0.165 -3.435 -0.488) 3.473 2.238 ( -0.574 -1.437 2.960) 3.340 2.347 ( -2.250 2.103 0.126) 3.082 2.435 ( 0.689 0.870 -4.173) 4.318 2.595 ( -2.387 0.769 -1.240) 2.798 2.751 ( 3.587 -5.842 -5.992) 9.105 2.797 ( 2.226 -4.298 -10.069) 11.172 2.944 ( -2.726 1.672 -0.287) 3.211 3.168 ( -1.763 4.596 -0.443) 4.942 3.411 ( -6.387 0.427 1.641) 6.608 3.654 ( 1.508 2.458 -0.362) 2.907 3.776 ( 1.999 3.124 -0.946) 3.828 3.978 ( -6.084 0.775 3.057) 6.852 4.139 ( -6.292 4.205 0.420) 7.580 5.058 ( 10.990 -0.999 2.651) 11.350 5.398 ( -0.251 -7.647 1.513) 7.799 5.712 ( 0.173 0.723 -0.092) 0.749 5.880 ( -2.117 3.190 2.298) 4.465 6.090 ( -2.737 -0.445 4.144) 4.986 6.251 ( 1.296 -1.106 0.695) 1.840 6.429 ( 1.273 -5.491 2.692) 6.247 6.512 ( 1.516 -1.694 -0.466) 2.320 6.749 ( -0.548 3.544 -1.200) 3.781 7.045 ( -3.359 1.932 2.275) 4.493 7.175 ( 1.514 2.560 3.928) 4.926 7.502 ( 5.742 -4.165 -5.323) 8.868 7.929 ( -0.284 -1.523 -0.909) 1.797 8.026 ( 3.451 -0.111 -0.369) 3.472 8.144 ( -0.747 -3.711 2.290) 4.425 8.260 ( 0.784 -1.785 -4.411) 4.822 8.457 ( 1.740 1.710 -2.069) 3.199 8.592 ( 1.912 -1.977 -5.659) 6.292 8.810 ( -0.625 -1.973 0.123) 2.074 9.068 ( -3.771 2.056 2.389) 4.914 9.193 ( -2.858 5.594 -1.596) 6.481 9.237 ( 1.148 3.169 1.873) 3.856 9.408 ( -3.003 0.475 3.688) 4.780 ======================= Grid point 100 (43/105) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( 20.251 -5.631 -0.000) 21.019 0.613 ( 20.476 -0.054 -0.000) 20.476 1.105 ( 3.143 0.132 -0.000) 3.146 1.226 ( 38.416 2.498 -0.000) 38.497 1.758 ( 0.379 0.480 0.000) 0.612 1.787 ( 2.096 -0.623 -0.000) 2.187 2.028 ( 1.341 0.311 -0.000) 1.377 2.351 ( -1.008 -0.146 0.000) 1.019 2.472 ( -1.412 -1.130 0.000) 1.808 2.499 ( -2.392 2.263 0.000) 3.293 2.580 ( 2.760 -1.286 -0.000) 3.044 2.744 ( -3.614 -0.615 0.000) 3.666 3.156 ( -6.267 -0.625 0.000) 6.298 3.298 ( -2.437 1.214 0.000) 2.722 3.487 ( -4.538 4.190 0.000) 6.177 3.602 ( 4.891 -2.991 -0.000) 5.733 3.863 ( -4.716 0.903 0.000) 4.802 3.987 ( 1.817 0.510 -0.000) 1.887 4.502 ( -11.625 2.302 0.000) 11.851 4.817 ( 1.179 -6.233 -0.000) 6.343 5.380 ( 13.389 4.359 -0.000) 14.081 5.643 ( 2.372 0.270 -0.000) 2.388 6.128 ( -2.343 3.693 0.000) 4.373 6.224 ( 1.049 -3.973 -0.000) 4.109 6.248 ( 2.833 -0.437 -0.000) 2.867 6.443 ( 1.511 -3.375 -0.000) 3.698 6.481 ( 3.014 4.377 0.000) 5.315 6.943 ( -7.651 -7.516 0.000) 10.725 7.148 ( 0.181 0.662 0.000) 0.686 7.189 ( 2.522 1.766 -0.000) 3.079 7.318 ( -2.655 0.789 0.000) 2.770 7.719 ( 2.377 -0.873 -0.000) 2.532 7.869 ( 7.124 -2.968 -0.000) 7.717 7.970 ( 9.804 3.054 -0.000) 10.269 8.259 ( -2.252 0.035 0.000) 2.253 8.396 ( -2.528 0.048 0.000) 2.528 8.532 ( -5.919 0.379 0.000) 5.932 8.688 ( -1.404 1.636 0.000) 2.156 9.198 ( -3.133 1.138 0.000) 3.333 9.233 ( -3.796 0.253 0.000) 3.804 9.391 ( 1.052 -1.615 -0.000) 1.928 9.538 ( -0.896 0.266 0.000) 0.934 ======================= Grid point 103 (44/105) ======================= q-point: ( 0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 0.148 0.013 0.520) 0.541 1.539 ( 7.543 7.459 3.254) 11.096 1.625 ( 7.275 7.125 5.868) 11.752 1.725 ( 1.333 1.406 -0.164) 1.944 1.882 ( -0.020 5.627 0.141) 5.629 2.007 ( 2.644 -1.345 0.796) 3.071 2.194 ( 1.136 0.050 -1.717) 2.060 2.301 ( -2.878 -2.418 -1.450) 4.029 2.423 ( -3.477 -2.245 -3.413) 5.364 2.553 ( -4.532 -4.594 1.053) 6.538 2.746 ( -4.102 -5.528 2.064) 7.187 2.917 ( 3.232 2.987 -0.077) 4.402 3.061 ( 3.158 2.233 5.006) 6.326 3.215 ( 3.661 0.591 7.458) 8.329 3.352 ( -3.000 0.424 3.012) 4.272 3.646 ( -3.862 -0.777 -1.599) 4.251 3.805 ( 2.699 -2.307 -1.589) 3.890 3.855 ( -3.982 -1.626 -2.679) 5.068 4.056 ( -3.672 -3.939 -1.279) 5.535 5.129 ( 5.156 4.896 -1.930) 7.367 5.408 ( 1.501 1.923 0.600) 2.512 5.704 ( -1.177 -0.390 -0.448) 1.318 5.828 ( -0.955 -3.484 -0.273) 3.623 6.065 ( -3.484 0.548 1.492) 3.829 6.268 ( 1.092 1.758 0.440) 2.116 6.381 ( 3.922 -0.923 -3.355) 5.243 6.530 ( -2.622 -0.941 1.585) 3.205 6.776 ( 2.272 1.900 0.624) 3.027 6.982 ( -2.115 -2.181 -1.166) 3.254 7.131 ( -2.052 -0.454 -3.070) 3.720 7.673 ( 4.471 7.281 5.717) 10.281 7.916 ( 3.792 1.088 -6.244) 7.386 7.975 ( 2.371 -2.721 -0.327) 3.624 8.148 ( -5.355 -0.864 0.272) 5.431 8.351 ( 2.857 3.276 2.466) 4.997 8.532 ( 1.903 5.158 2.674) 6.114 8.672 ( 4.276 -0.351 3.024) 5.249 8.818 ( 1.768 3.209 -0.176) 3.668 8.984 ( -2.694 -5.593 0.022) 6.208 9.129 ( -3.348 -2.440 -2.990) 5.109 9.264 ( -4.663 0.749 0.538) 4.753 9.305 ( -0.456 -4.566 -2.485) 5.218 ======================= Grid point 104 (45/105) ======================= q-point: ( 0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -0.198 -0.135 0.182) 0.301 1.612 ( 9.460 2.008 -1.622) 9.806 1.736 ( 6.443 1.195 1.957) 6.839 1.751 ( 1.801 1.000 0.599) 2.146 1.897 ( 2.245 -1.241 -3.706) 4.507 2.032 ( -0.394 1.667 2.035) 2.660 2.190 ( -2.615 0.940 -0.532) 2.830 2.277 ( 2.740 0.377 -1.808) 3.304 2.336 ( -5.723 -1.001 -0.344) 5.820 2.521 ( -6.492 -2.503 1.472) 7.112 2.709 ( -5.055 -2.771 1.049) 5.859 2.963 ( 3.444 2.609 0.466) 4.346 3.043 ( 0.131 -0.590 -4.669) 4.708 3.263 ( -3.048 -1.048 1.106) 3.407 3.444 ( 2.263 -1.995 -0.235) 3.026 3.602 ( -1.449 -1.741 -0.965) 2.462 3.756 ( 3.916 2.146 0.733) 4.525 3.802 ( -3.456 -0.153 -4.417) 5.610 4.038 ( -4.597 -0.640 2.786) 5.413 5.164 ( 7.858 1.784 0.822) 8.100 5.447 ( -1.721 0.302 2.499) 3.049 5.696 ( -0.454 -1.511 1.493) 2.172 5.808 ( -1.039 -0.705 1.993) 2.355 6.060 ( -3.875 -1.875 -1.612) 4.597 6.309 ( 1.522 -0.654 2.058) 2.642 6.362 ( 0.729 2.273 1.378) 2.756 6.536 ( -2.893 -1.906 2.470) 4.254 6.813 ( 3.696 1.640 0.733) 4.109 6.942 ( -2.261 -0.411 -2.045) 3.076 7.107 ( -0.708 -0.453 1.309) 1.556 7.750 ( 7.180 -0.531 -6.054) 9.407 7.892 ( 2.815 5.157 2.731) 6.479 7.982 ( 0.131 1.706 0.339) 1.744 8.110 ( -6.556 -3.302 -0.572) 7.363 8.386 ( 3.428 0.952 -1.458) 3.845 8.598 ( 7.825 -1.503 -0.874) 8.016 8.701 ( 0.487 5.888 -1.550) 6.108 8.841 ( 0.418 -1.476 -1.735) 2.316 8.953 ( -3.485 -2.154 4.760) 6.280 9.080 ( -2.103 1.268 -2.070) 3.212 9.192 ( -0.389 -2.554 -2.980) 3.944 9.311 ( -4.184 -0.354 3.449) 5.434 ======================= Grid point 105 (46/105) ======================= q-point: (-0.56 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 0.027 -0.488 -0.159) 0.514 1.568 ( 12.135 -3.351 -3.519) 13.072 1.657 ( 7.383 -8.686 -5.193) 12.527 1.750 ( 0.792 -1.728 0.344) 1.932 1.866 ( 4.819 1.652 -0.441) 5.114 2.034 ( -2.386 -2.220 -0.969) 3.400 2.194 ( -6.181 2.561 -1.824) 6.934 2.274 ( -0.202 2.572 1.039) 2.782 2.411 ( 0.760 3.201 3.172) 4.570 2.528 ( -5.339 0.601 1.511) 5.581 2.691 ( -4.565 0.396 -1.400) 4.791 2.933 ( -0.786 -2.254 -5.162) 5.687 3.018 ( 2.817 2.395 -2.435) 4.428 3.147 ( 4.035 -8.395 -9.551) 13.341 3.352 ( -2.991 -3.102 0.904) 4.403 3.597 ( -3.436 1.755 -0.962) 3.976 3.745 ( -1.221 4.916 -5.214) 7.269 3.877 ( 0.587 3.488 4.926) 6.064 4.068 ( -4.156 -0.548 1.907) 4.606 5.203 ( 8.592 -0.166 3.162) 9.157 5.462 ( -2.625 -3.991 2.407) 5.349 5.707 ( 0.162 0.132 0.698) 0.729 5.845 ( -0.025 -0.378 4.329) 4.345 6.038 ( -3.826 0.824 2.122) 4.452 6.301 ( 1.942 -2.498 1.059) 3.336 6.442 ( -0.754 3.280 2.900) 4.443 6.548 ( 0.182 -3.733 4.901) 6.164 6.789 ( 3.561 -2.523 -2.760) 5.164 6.967 ( -2.689 3.073 2.094) 4.589 7.150 ( -0.515 1.615 3.467) 3.859 7.633 ( 6.806 -2.281 -6.681) 9.807 7.927 ( -2.209 -0.610 -3.526) 4.206 8.048 ( 2.733 3.701 1.209) 4.757 8.095 ( -4.403 1.040 2.992) 5.424 8.338 ( 3.345 -2.406 -4.128) 5.833 8.524 ( 6.641 -2.813 -3.624) 8.072 8.677 ( 2.030 -3.981 -4.278) 6.187 8.802 ( -1.208 0.413 -2.276) 2.610 8.990 ( -6.868 0.448 1.296) 7.003 9.094 ( -0.199 4.555 -2.987) 5.450 9.200 ( 0.421 2.547 4.524) 5.208 9.361 ( -3.263 -0.001 4.263) 5.369 ======================= Grid point 106 (47/105) ======================= q-point: (-0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 1.334 -1.310 -0.589) 1.960 1.423 ( 9.308 -10.818 -5.405) 15.260 1.447 ( 13.804 -7.423 -5.387) 16.573 1.740 ( 1.639 -0.833 0.795) 2.003 1.862 ( 2.679 -1.715 -0.733) 3.265 1.990 ( -1.242 -1.906 -1.082) 2.519 2.224 ( -4.391 1.972 0.392) 4.830 2.324 ( -0.126 2.344 -0.083) 2.349 2.418 ( 3.239 -3.354 -4.075) 6.192 2.555 ( -1.451 0.787 -0.695) 1.791 2.684 ( -0.712 1.861 -2.453) 3.160 2.759 ( 5.421 -7.170 -6.560) 11.127 2.932 ( 1.626 -2.565 -0.458) 3.071 3.076 ( -6.579 5.910 -2.990) 9.336 3.370 ( -4.222 0.610 2.559) 4.975 3.604 ( -2.983 3.756 -3.908) 6.187 3.778 ( -0.268 5.423 -0.802) 5.489 3.964 ( -1.481 0.594 2.819) 3.239 4.077 ( -3.832 2.079 -0.646) 4.407 5.240 ( 6.317 -3.312 5.096) 8.766 5.400 ( 1.008 -5.620 -0.543) 5.736 5.704 ( 0.352 0.636 -1.681) 1.831 5.923 ( -0.685 0.493 6.639) 6.692 6.143 ( -1.335 4.075 6.676) 7.935 6.279 ( 1.537 -1.775 0.415) 2.384 6.497 ( 3.903 -3.015 3.425) 6.005 6.572 ( 0.489 -3.153 5.675) 6.511 6.734 ( 1.743 1.809 -2.254) 3.376 7.021 ( -4.337 0.172 1.827) 4.710 7.223 ( -0.260 2.407 1.993) 3.136 7.520 ( 6.330 -2.896 -4.709) 8.404 7.859 ( -3.681 -1.174 -2.837) 4.793 8.074 ( 3.368 0.927 -0.564) 3.539 8.172 ( -1.557 1.340 1.445) 2.512 8.223 ( 4.459 -2.843 -5.215) 7.427 8.452 ( 1.350 -0.892 -2.555) 3.024 8.553 ( 4.056 -5.291 -3.638) 7.595 8.753 ( -3.204 -0.809 -4.459) 5.550 9.006 ( -7.513 1.381 -0.202) 7.641 9.131 ( -1.878 5.546 -2.155) 6.240 9.317 ( 2.311 2.943 5.556) 6.699 9.421 ( -2.919 0.461 3.879) 4.876 ======================= Grid point 108 (48/105) ======================= q-point: (-0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 13.508 -4.068 -0.000) 14.107 0.998 ( 15.305 -16.957 -0.000) 22.843 1.163 ( 6.347 -2.374 -0.000) 6.777 1.674 ( 18.129 -3.735 -0.000) 18.509 1.768 ( 1.655 -0.055 -0.000) 1.656 1.849 ( 5.384 -2.408 -0.000) 5.898 2.078 ( 8.043 -1.578 -0.000) 8.197 2.333 ( -2.295 -0.310 0.000) 2.316 2.409 ( -2.550 4.042 0.000) 4.780 2.472 ( -2.166 -1.553 0.000) 2.665 2.648 ( 4.458 -0.835 -0.000) 4.535 2.719 ( -0.845 -0.798 0.000) 1.162 3.037 ( -4.445 5.679 0.000) 7.211 3.198 ( -10.942 2.271 0.000) 11.175 3.406 ( 0.167 1.450 0.000) 1.460 3.655 ( 2.643 4.349 0.000) 5.089 3.844 ( -3.956 -6.772 -0.000) 7.843 3.944 ( -1.424 4.778 0.000) 4.985 4.286 ( -4.049 10.452 0.000) 11.209 4.990 ( -1.597 -15.328 -0.000) 15.411 5.483 ( 13.877 6.588 -0.000) 15.361 5.667 ( 0.675 -0.058 -0.000) 0.677 6.059 ( -1.924 1.794 0.000) 2.630 6.261 ( 3.327 0.854 -0.000) 3.434 6.366 ( 4.818 -7.289 -0.000) 8.738 6.428 ( 1.919 5.820 0.000) 6.128 6.538 ( 1.673 -4.930 -0.000) 5.206 6.909 ( -5.656 -0.850 0.000) 5.719 7.018 ( -5.973 5.638 0.000) 8.214 7.257 ( 0.714 1.160 0.000) 1.362 7.333 ( 2.590 -6.234 -0.000) 6.750 7.822 ( 3.928 -5.346 -0.000) 6.633 7.962 ( 1.166 -1.458 -0.000) 1.867 8.090 ( 10.424 1.895 -0.000) 10.595 8.235 ( 0.499 1.043 0.000) 1.156 8.377 ( -0.076 -2.152 -0.000) 2.153 8.450 ( -4.970 -0.203 0.000) 4.974 8.621 ( -4.559 1.448 0.000) 4.784 9.087 ( -6.555 3.784 0.000) 7.568 9.201 ( -1.214 0.871 0.000) 1.494 9.417 ( -0.742 -1.556 -0.000) 1.724 9.512 ( -0.906 1.438 0.000) 1.699 ======================= Grid point 109 (49/105) ======================= q-point: (-0.11 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 16.221 -2.481 4.429) 16.997 0.922 ( 12.389 -2.653 6.664) 14.316 1.175 ( 7.726 0.368 3.107) 8.336 1.688 ( 11.231 0.737 2.621) 11.556 1.772 ( 2.267 0.972 -0.279) 2.483 1.867 ( 9.874 0.257 6.378) 11.758 2.078 ( 9.766 0.644 1.032) 9.841 2.327 ( -2.687 0.593 -0.915) 2.900 2.429 ( -3.350 -0.714 -0.572) 3.473 2.506 ( -0.190 1.511 4.124) 4.396 2.631 ( 3.363 -1.848 0.238) 3.844 2.706 ( -2.133 -1.145 0.852) 2.567 3.070 ( -4.512 -0.348 -1.443) 4.750 3.211 ( -7.168 2.135 -1.277) 7.588 3.463 ( -1.777 3.985 1.872) 4.747 3.681 ( 5.286 -3.431 0.280) 6.308 3.761 ( -7.396 -1.721 -1.234) 7.694 4.006 ( 0.473 3.905 0.175) 3.937 4.380 ( -5.984 -0.037 -0.314) 5.992 4.832 ( 1.400 -3.158 -0.472) 3.487 5.514 ( 11.488 2.748 -4.854) 12.771 5.683 ( 1.666 -0.175 1.557) 2.286 6.063 ( -1.469 2.509 -5.046) 5.824 6.246 ( 2.444 -4.053 -0.322) 4.744 6.287 ( 4.420 0.125 -1.397) 4.637 6.438 ( 2.747 -2.848 -3.866) 5.532 6.487 ( 2.966 5.391 -4.416) 7.574 6.840 ( -9.414 -7.636 1.662) 12.235 7.101 ( -3.123 6.288 -2.438) 7.432 7.232 ( 1.514 -3.667 -0.585) 4.011 7.328 ( 1.118 0.153 4.324) 4.469 7.771 ( 2.673 -0.672 1.839) 3.313 7.960 ( 3.404 -1.786 1.422) 4.099 8.125 ( 8.290 0.782 2.260) 8.628 8.262 ( 3.518 1.010 0.864) 3.761 8.374 ( -2.713 -0.263 1.413) 3.070 8.455 ( -5.672 0.339 1.407) 5.854 8.707 ( -3.856 2.346 6.879) 8.228 9.124 ( -6.178 3.075 -1.464) 7.055 9.194 ( -1.425 -1.454 -0.385) 2.072 9.370 ( -0.661 -2.311 -2.595) 3.537 9.513 ( -1.126 0.554 -1.828) 2.218 ======================= Grid point 112 (50/105) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -0.177 -0.164 0.107) 0.264 1.645 ( 2.368 7.036 1.655) 7.606 1.712 ( 0.894 6.263 -0.564) 6.351 1.761 ( -0.498 2.820 0.040) 2.864 1.898 ( 3.763 2.205 1.803) 4.720 2.010 ( -0.703 1.714 -2.588) 3.183 2.177 ( -1.195 -1.378 -3.961) 4.360 2.289 ( 1.620 0.064 1.531) 2.230 2.364 ( 0.042 -6.834 1.892) 7.091 2.501 ( -3.005 -4.802 -0.273) 5.672 2.710 ( -3.358 -5.396 0.621) 6.386 2.933 ( 1.550 4.990 -3.077) 6.064 3.076 ( 0.877 -1.006 -1.356) 1.903 3.257 ( -3.740 -3.764 -0.918) 5.385 3.425 ( -0.309 4.387 -1.347) 4.600 3.606 ( 0.274 -1.055 1.337) 1.725 3.727 ( -0.948 0.621 -3.030) 3.236 3.885 ( 3.011 -3.529 3.431) 5.770 4.000 ( -2.397 -3.038 -1.033) 4.005 5.169 ( 1.677 7.544 1.136) 7.811 5.426 ( 0.208 -0.084 0.696) 0.731 5.695 ( -0.955 -0.147 1.740) 1.990 5.831 ( -1.746 -3.513 3.178) 5.049 6.064 ( -0.118 -3.643 0.298) 3.657 6.293 ( 0.145 2.056 1.591) 2.604 6.384 ( 0.119 -0.189 1.026) 1.050 6.523 ( -1.531 -2.460 2.093) 3.574 6.809 ( 0.873 3.924 -0.555) 4.058 6.938 ( 0.164 -1.382 -2.047) 2.475 7.110 ( 0.078 -0.897 2.169) 2.348 7.778 ( 2.108 6.301 -0.487) 6.662 7.891 ( 3.215 2.000 -2.025) 4.294 7.938 ( -1.873 1.175 -3.705) 4.315 8.137 ( -0.577 -6.995 3.622) 7.898 8.393 ( 1.058 2.899 -0.866) 3.205 8.569 ( 1.345 7.847 -0.723) 7.994 8.764 ( 5.339 0.737 -0.663) 5.430 8.812 ( -1.170 1.177 -2.038) 2.628 8.892 ( -6.170 -0.865 -2.938) 6.889 9.105 ( 1.483 -4.035 1.375) 4.514 9.238 ( -0.034 -0.914 1.281) 1.574 9.281 ( -1.892 -4.136 1.170) 4.697 ======================= Grid point 113 (51/105) ======================= q-point: (-0.67 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -0.164 -0.142 0.126) 0.251 1.709 ( 5.873 2.368 -1.694) 6.555 1.748 ( 0.114 1.554 -0.253) 1.578 1.819 ( -0.026 2.585 -1.705) 3.096 1.892 ( 3.423 -1.501 -0.745) 3.811 2.010 ( -1.264 1.794 -1.978) 2.954 2.089 ( -3.533 -1.686 -4.953) 6.313 2.259 ( -0.520 -2.328 0.765) 2.505 2.407 ( 3.526 1.814 5.247) 6.576 2.466 ( -3.661 -1.744 2.187) 4.607 2.660 ( -3.189 -3.081 0.260) 4.442 2.922 ( -1.067 1.679 -6.851) 7.134 3.014 ( 3.121 0.645 -5.147) 6.054 3.216 ( -3.232 -2.671 0.779) 4.265 3.420 ( -1.769 1.448 -4.114) 4.706 3.557 ( -2.936 -2.697 -1.915) 4.423 3.669 ( 1.638 -1.633 -6.538) 6.935 3.899 ( 5.625 1.161 3.368) 6.658 4.014 ( -4.277 -0.017 2.828) 5.127 5.275 ( 4.382 3.765 2.926) 6.476 5.444 ( -3.167 -1.128 2.358) 4.106 5.716 ( -0.485 -0.977 1.582) 1.922 5.863 ( -0.531 -1.451 6.948) 7.118 6.002 ( -1.366 -2.400 -0.591) 2.824 6.335 ( -0.571 0.716 0.792) 1.211 6.420 ( 1.843 -0.638 4.118) 4.557 6.566 ( -2.145 -0.405 6.827) 7.168 6.842 ( 0.652 1.320 -2.645) 3.028 6.912 ( 1.024 1.361 1.276) 2.128 7.136 ( -0.200 -0.897 3.393) 3.515 7.731 ( 4.122 0.388 -7.772) 8.806 7.875 ( -3.888 0.954 -5.463) 6.773 8.008 ( 2.970 4.730 4.394) 7.107 8.094 ( -0.631 -4.450 2.066) 4.947 8.383 ( 1.442 0.793 -4.107) 4.425 8.647 ( -0.532 6.682 -3.471) 7.548 8.675 ( 6.077 -3.709 -5.590) 9.052 8.825 ( -0.666 0.156 -0.553) 0.879 8.866 ( -7.175 -0.049 -0.201) 7.178 9.066 ( 1.989 0.165 -5.136) 5.510 9.216 ( 0.995 -3.114 6.553) 7.323 9.323 ( -2.031 0.089 4.671) 5.094 ======================= Grid point 115 (52/105) ======================= q-point: (-0.56 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 0.279 -0.221 0.103) 0.370 1.656 ( 5.205 -5.348 -5.102) 9.040 1.697 ( 8.059 -5.838 -2.046) 10.160 1.783 ( 2.956 -2.149 0.533) 3.693 1.892 ( 0.106 2.320 -1.938) 3.025 1.980 ( -2.116 -2.381 -1.147) 3.385 2.081 ( -6.049 5.660 -0.450) 8.296 2.275 ( -0.869 2.342 0.552) 2.559 2.450 ( 0.113 -0.266 0.802) 0.853 2.526 ( -1.250 0.526 3.568) 3.817 2.636 ( -0.372 1.671 -1.024) 1.994 2.816 ( -1.319 -0.371 -7.786) 7.906 2.961 ( -1.834 0.816 -5.175) 5.551 3.178 ( 8.065 -7.054 -0.516) 10.727 3.327 ( 0.211 -4.076 -0.789) 4.157 3.516 ( -3.462 2.898 -3.772) 5.883 3.654 ( -3.183 7.778 -2.572) 8.789 3.948 ( 1.544 1.573 0.988) 2.415 4.035 ( -2.582 -1.309 1.210) 3.137 5.342 ( 3.030 -1.757 4.031) 5.340 5.446 ( -1.012 -1.531 1.347) 2.277 5.703 ( 0.534 0.270 -2.203) 2.283 5.944 ( 1.708 -1.948 7.455) 7.893 6.051 ( -2.557 4.024 6.062) 7.712 6.330 ( 1.094 -1.893 0.316) 2.209 6.496 ( 0.317 2.850 4.857) 5.640 6.636 ( 0.714 -2.857 5.803) 6.508 6.791 ( 2.318 -1.968 -2.561) 3.975 6.976 ( -2.002 -0.315 3.956) 4.445 7.182 ( -0.595 1.967 2.388) 3.151 7.627 ( 4.179 -1.422 -6.336) 7.722 7.811 ( -3.638 -0.087 -3.704) 5.192 8.067 ( -0.115 1.034 -1.770) 2.053 8.110 ( -0.880 2.548 1.580) 3.125 8.317 ( 2.203 -1.428 -4.167) 4.925 8.545 ( 5.481 -4.626 -4.168) 8.295 8.658 ( -0.959 0.882 -2.785) 3.075 8.765 ( 2.404 -5.991 -1.677) 6.669 8.880 ( -5.853 2.302 -1.850) 6.556 9.022 ( -2.474 5.098 -4.098) 6.993 9.313 ( 1.722 1.664 6.914) 7.317 9.383 ( -1.888 -0.140 4.058) 4.478 ======================= Grid point 117 (53/105) ======================= q-point: (-0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 2.690 -0.708 -0.000) 2.782 1.340 ( 12.122 -7.124 -0.000) 14.060 1.414 ( 11.080 -12.273 -0.000) 16.535 1.781 ( -0.529 -0.158 0.000) 0.552 1.812 ( 1.666 -4.303 -0.000) 4.614 1.924 ( 0.201 -1.043 -0.000) 1.062 2.212 ( -1.975 1.223 0.000) 2.323 2.296 ( -3.536 -0.006 0.000) 3.536 2.434 ( 13.777 -1.049 -0.000) 13.817 2.465 ( -1.287 -1.082 0.000) 1.681 2.702 ( 1.467 -0.368 -0.000) 1.512 2.730 ( -0.113 -0.294 -0.000) 0.315 2.913 ( -4.071 5.681 0.000) 6.989 3.043 ( 1.247 1.875 0.000) 2.252 3.392 ( -1.995 0.705 0.000) 2.116 3.594 ( 2.079 7.333 0.000) 7.622 3.811 ( -4.165 3.069 0.000) 5.174 3.944 ( 0.772 -4.383 -0.000) 4.451 4.107 ( -2.404 10.054 0.000) 10.338 5.162 ( -1.466 -12.625 -0.000) 12.710 5.579 ( 12.178 5.880 -0.000) 13.523 5.656 ( -1.683 0.343 0.000) 1.718 6.035 ( 0.106 -0.275 -0.000) 0.295 6.300 ( 4.096 1.028 -0.000) 4.223 6.347 ( -0.015 6.884 0.000) 6.884 6.567 ( 4.880 -8.329 -0.000) 9.653 6.621 ( 1.503 -5.080 -0.000) 5.297 6.806 ( -0.202 8.994 0.000) 8.997 6.909 ( -8.837 -5.311 0.000) 10.310 7.244 ( -1.039 -0.028 0.000) 1.040 7.454 ( 3.836 -4.072 -0.000) 5.594 7.869 ( -1.572 2.586 0.000) 3.027 7.987 ( -1.659 -4.212 -0.000) 4.527 8.112 ( -3.098 1.364 0.000) 3.385 8.262 ( 4.367 2.042 -0.000) 4.821 8.417 ( 1.665 -3.163 -0.000) 3.575 8.515 ( 7.971 -4.345 -0.000) 9.078 8.558 ( -3.451 -2.708 0.000) 4.387 8.935 ( -7.413 4.006 0.000) 8.426 9.151 ( -1.459 4.432 0.000) 4.666 9.416 ( -2.111 -1.561 0.000) 2.626 9.478 ( -0.441 2.116 0.000) 2.162 ======================= Grid point 118 (54/105) ======================= q-point: (-0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 4.047 -0.816 0.177) 4.132 1.211 ( 12.320 -12.709 2.413) 17.864 1.346 ( 13.376 -3.093 5.418) 14.759 1.750 ( 0.864 -1.776 -1.451) 2.451 1.786 ( -0.393 -0.511 -0.090) 0.651 1.943 ( 1.746 0.152 3.748) 4.138 2.225 ( -1.376 0.770 0.272) 1.600 2.295 ( 2.131 -1.223 2.012) 3.176 2.419 ( 3.774 -0.340 -0.313) 3.802 2.508 ( 5.176 1.708 4.473) 7.051 2.692 ( 1.299 -2.264 0.208) 2.619 2.719 ( 0.608 -0.817 0.858) 1.332 3.000 ( 0.035 5.510 -0.606) 5.544 3.073 ( -5.767 2.003 0.386) 6.118 3.406 ( -0.758 2.084 0.483) 2.269 3.671 ( -2.626 1.512 0.710) 3.112 3.810 ( 1.409 -3.372 -0.762) 3.733 3.930 ( -0.973 3.733 0.411) 3.880 4.251 ( -1.309 10.130 -0.285) 10.218 4.972 ( 0.172 -12.785 -1.370) 12.860 5.588 ( 5.554 3.322 -5.614) 8.568 5.712 ( 4.065 1.390 2.801) 5.129 6.020 ( 0.384 2.111 -3.630) 4.217 6.314 ( 4.301 0.781 -0.460) 4.395 6.400 ( 3.525 1.213 -4.446) 5.802 6.431 ( 2.964 -2.012 -3.330) 4.892 6.533 ( 1.883 -4.204 -3.229) 5.626 6.813 ( -7.839 -5.869 0.599) 9.811 6.946 ( -3.245 8.648 -1.007) 9.292 7.248 ( -1.529 -0.011 0.156) 1.537 7.410 ( 2.824 -6.081 4.121) 7.870 7.833 ( 1.032 -1.732 -2.254) 3.024 7.980 ( -2.449 -1.199 1.455) 3.090 8.154 ( -2.229 -0.269 4.377) 4.919 8.314 ( 3.935 2.399 1.405) 4.818 8.379 ( -1.412 -0.223 0.694) 1.589 8.458 ( 8.137 -4.151 0.341) 9.141 8.614 ( -2.860 2.183 7.184) 8.034 8.985 ( -7.139 3.587 -0.778) 8.027 9.190 ( -0.535 0.937 0.014) 1.079 9.377 ( -2.338 -1.854 -2.004) 3.594 9.484 ( -0.959 1.457 -2.514) 3.060 ======================= Grid point 119 (55/105) ======================= q-point: (-0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 2.964 0.445 1.189) 3.224 1.144 ( 11.365 -4.269 5.928) 13.511 1.410 ( 12.809 0.081 6.117) 14.195 1.717 ( -0.168 -0.139 -1.226) 1.246 1.780 ( 0.101 0.176 -0.513) 0.552 2.007 ( 2.027 1.322 3.096) 3.929 2.223 ( -5.839 1.576 -2.364) 6.494 2.357 ( 0.467 -1.889 7.408) 7.660 2.410 ( 4.639 -0.174 0.964) 4.742 2.611 ( 6.171 3.570 4.213) 8.281 2.660 ( 2.371 -1.659 1.247) 3.151 2.742 ( 3.235 -1.296 4.905) 6.017 3.013 ( 0.669 -0.208 -1.991) 2.111 3.110 ( -5.502 2.254 0.020) 5.946 3.469 ( -1.984 3.142 2.716) 4.603 3.637 ( -6.897 -3.869 -2.422) 8.271 3.750 ( 4.608 -2.716 -0.721) 5.397 4.006 ( -0.853 4.486 0.460) 4.590 4.320 ( -1.488 -0.750 -1.425) 2.193 4.838 ( 1.115 -1.376 -1.322) 2.210 5.549 ( 4.222 2.260 -5.733) 7.470 5.724 ( 2.754 -0.961 -0.532) 2.965 5.973 ( 1.152 0.354 -7.123) 7.225 6.263 ( 1.454 -2.541 -1.814) 3.444 6.322 ( 5.010 -3.529 -3.398) 7.007 6.430 ( 2.705 5.375 -3.877) 7.158 6.484 ( 3.045 1.501 -0.049) 3.395 6.745 ( -6.756 -5.873 1.666) 9.106 7.026 ( -2.514 6.090 -2.361) 6.999 7.215 ( -0.642 -2.846 -2.280) 3.703 7.421 ( 1.141 -2.137 5.541) 6.048 7.831 ( 0.988 1.103 3.245) 3.567 7.970 ( -2.478 0.155 -1.482) 2.891 8.200 ( -0.501 -1.498 3.879) 4.189 8.323 ( -0.077 -0.581 -0.822) 1.010 8.420 ( 2.165 -3.094 2.692) 4.638 8.462 ( 5.978 4.244 3.991) 8.347 8.758 ( -2.835 2.165 7.760) 8.541 9.008 ( -6.790 3.004 -1.924) 7.670 9.173 ( -0.009 -1.742 -1.416) 2.245 9.320 ( -1.651 -2.389 -1.989) 3.520 9.460 ( -1.406 0.857 -3.042) 3.459 ======================= Grid point 122 (56/105) ======================= q-point: ( 0.22 -0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -0.487 0.164 -0.099) 0.524 1.612 ( -8.567 9.153 -2.847) 12.856 1.637 ( -4.224 7.687 -3.708) 9.523 1.754 ( -1.150 0.654 0.490) 1.411 1.929 ( -3.188 4.309 -3.160) 6.222 1.971 ( 1.930 -1.352 0.233) 2.368 2.149 ( 4.802 -2.030 -1.239) 5.358 2.315 ( -0.080 -4.190 1.351) 4.403 2.456 ( 1.362 -3.276 1.785) 3.971 2.489 ( 3.141 -1.927 1.963) 4.175 2.682 ( -0.099 -3.909 -0.741) 3.980 2.886 ( 0.729 3.301 -5.566) 6.512 3.057 ( 0.116 0.795 -4.933) 4.998 3.127 ( -7.935 4.564 -6.565) 11.265 3.327 ( -0.867 -1.708 -2.045) 2.802 3.610 ( 1.479 -5.697 -1.951) 6.200 3.762 ( 3.902 -1.194 -0.167) 4.084 3.939 ( -3.329 -0.359 3.240) 4.659 4.010 ( 5.007 -3.060 0.987) 5.951 5.210 ( -0.469 8.242 3.737) 9.062 5.430 ( -1.973 -0.599 1.082) 2.329 5.717 ( -0.375 -0.537 1.526) 1.661 5.856 ( -1.832 -0.832 4.329) 4.774 6.067 ( 0.290 -6.528 1.828) 6.785 6.295 ( -1.861 1.496 0.858) 2.537 6.444 ( 0.508 3.042 6.079) 6.817 6.535 ( -1.676 -1.327 2.669) 3.419 6.786 ( -1.709 2.776 -1.418) 3.555 6.949 ( 3.720 -0.206 -0.184) 3.730 7.169 ( 1.159 -2.307 4.029) 4.785 7.683 ( -5.444 3.600 -6.389) 9.133 7.866 ( 3.131 0.853 -5.271) 6.190 8.000 ( 3.325 3.706 5.792) 7.638 8.172 ( -0.606 -6.867 1.522) 7.060 8.350 ( -2.727 2.268 -3.888) 5.263 8.533 ( -1.547 6.299 -4.681) 7.999 8.673 ( -7.753 3.633 -2.767) 8.998 8.777 ( 2.989 0.355 -5.834) 6.565 8.904 ( 6.123 -0.944 1.063) 6.286 9.133 ( 1.788 -4.006 -1.299) 4.575 9.278 ( -1.366 -5.176 3.744) 6.533 9.318 ( 2.441 0.248 4.939) 5.515 ======================= Grid point 126 (57/105) ======================= q-point: (-0.44 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 0.603 0.425 -0.000) 0.738 1.551 ( 5.041 -4.491 -0.000) 6.751 1.669 ( 5.506 -7.507 -0.000) 9.310 1.742 ( -6.013 -0.162 0.000) 6.015 1.899 ( -1.677 -4.656 -0.000) 4.949 1.924 ( 4.723 1.477 -0.000) 4.948 2.114 ( -3.778 3.200 0.000) 4.951 2.244 ( -3.133 0.136 0.000) 3.136 2.463 ( -0.342 -0.937 -0.000) 0.998 2.568 ( 5.357 1.188 -0.000) 5.487 2.649 ( -5.943 6.694 0.000) 8.951 2.688 ( -0.552 -0.188 0.000) 0.583 2.897 ( 5.255 -2.797 -0.000) 5.953 3.211 ( 11.251 -5.352 -0.000) 12.460 3.333 ( -1.130 2.631 0.000) 2.863 3.544 ( 5.849 7.320 0.000) 9.370 3.686 ( -5.033 7.315 0.000) 8.879 3.944 ( -2.411 3.813 0.000) 4.512 4.027 ( 1.378 -1.979 -0.000) 2.411 5.277 ( -2.778 -7.596 -0.000) 8.088 5.615 ( 0.026 1.161 0.000) 1.161 5.654 ( 7.204 4.854 -0.000) 8.687 6.072 ( 2.911 -2.001 -0.000) 3.532 6.236 ( -0.923 7.341 0.000) 7.399 6.344 ( 2.413 0.123 -0.000) 2.416 6.597 ( -4.543 0.717 0.000) 4.599 6.721 ( 1.136 2.282 0.000) 2.549 6.759 ( 3.331 -2.305 -0.000) 4.051 6.927 ( -3.060 -10.041 -0.000) 10.497 7.222 ( -2.054 0.506 0.000) 2.115 7.532 ( 1.435 -1.018 -0.000) 1.759 7.796 ( -1.433 2.076 0.000) 2.523 7.983 ( -2.626 0.693 0.000) 2.716 8.054 ( -3.425 -1.627 0.000) 3.791 8.259 ( -2.406 -0.960 0.000) 2.591 8.517 ( -2.430 -2.066 0.000) 3.190 8.577 ( 6.798 -5.809 -0.000) 8.941 8.693 ( 2.094 -1.630 -0.000) 2.653 8.835 ( 2.464 -0.680 -0.000) 2.556 9.032 ( -2.971 8.386 0.000) 8.897 9.405 ( -2.440 -0.985 0.000) 2.631 9.450 ( 0.180 1.101 0.000) 1.116 ======================= Grid point 127 (58/105) ======================= q-point: (-0.33 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 1.124 0.233 -0.319) 1.192 1.497 ( 7.198 -7.473 1.951) 10.558 1.571 ( 9.156 -6.299 2.032) 11.298 1.736 ( -4.083 -0.398 -0.420) 4.124 1.828 ( 0.215 -4.463 -0.117) 4.470 1.956 ( 1.823 0.035 3.205) 3.687 2.127 ( -5.993 2.393 -3.235) 7.219 2.278 ( -3.310 0.272 4.297) 5.431 2.455 ( -1.090 -1.251 -0.005) 1.659 2.586 ( 5.473 2.984 -1.195) 6.347 2.685 ( -2.622 1.384 1.334) 3.251 2.754 ( 1.026 0.586 2.896) 3.128 2.897 ( 1.139 1.935 3.570) 4.217 3.160 ( 13.202 -2.567 -0.475) 13.457 3.363 ( -1.141 2.515 -0.447) 2.797 3.628 ( -0.699 1.412 0.899) 1.814 3.762 ( -1.550 6.689 -0.059) 6.867 3.965 ( 2.191 -3.972 0.274) 4.544 4.082 ( -0.431 12.079 -0.449) 12.095 5.140 ( -0.359 -10.864 -1.586) 10.985 5.581 ( -1.126 1.178 -4.584) 4.865 5.757 ( 7.377 4.109 2.062) 8.692 6.027 ( 2.858 -0.151 -3.326) 4.388 6.306 ( -0.554 8.320 -5.158) 9.805 6.355 ( 3.686 1.663 -0.162) 4.047 6.545 ( -1.536 -2.985 -4.410) 5.542 6.654 ( 4.417 -7.668 -3.934) 9.684 6.801 ( -5.414 -5.173 0.842) 7.535 6.811 ( 0.108 5.237 0.571) 5.269 7.223 ( -2.451 -0.316 0.342) 2.495 7.518 ( 1.432 -4.343 2.787) 5.356 7.809 ( -2.433 1.898 -2.002) 3.678 7.966 ( -4.656 -3.983 0.432) 6.142 8.101 ( -3.403 1.836 6.013) 7.149 8.276 ( -3.301 0.833 2.783) 4.397 8.450 ( 3.616 -3.876 -2.243) 5.756 8.546 ( -0.344 -3.623 4.267) 5.609 8.693 ( 10.346 -0.510 2.344) 10.620 8.855 ( -3.271 2.087 0.837) 3.969 9.134 ( -1.667 5.416 0.743) 5.715 9.369 ( -2.412 -1.953 -1.969) 3.676 9.449 ( -0.960 1.554 -2.788) 3.333 ======================= Grid point 128 (59/105) ======================= q-point: (-0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 1.308 0.166 -0.226) 1.337 1.394 ( 8.735 -9.703 2.776) 13.347 1.566 ( 7.800 -1.165 1.714) 8.071 1.720 ( -2.062 -0.561 -0.545) 2.205 1.786 ( 1.023 -2.612 1.529) 3.195 2.007 ( 0.215 1.317 1.806) 2.246 2.111 ( -6.264 1.235 -1.633) 6.590 2.340 ( -4.303 -0.828 3.075) 5.353 2.444 ( -0.450 -0.595 2.588) 2.693 2.620 ( 2.972 3.923 -1.136) 5.051 2.712 ( -0.109 -1.839 2.827) 3.374 2.811 ( 5.024 1.716 5.037) 7.319 3.007 ( -1.861 3.556 4.541) 6.060 3.115 ( 12.012 -2.548 -0.730) 12.301 3.406 ( -0.937 3.216 1.467) 3.657 3.592 ( -6.677 -4.094 -1.931) 8.067 3.851 ( 4.214 1.004 -1.226) 4.502 3.925 ( -1.179 1.994 0.885) 2.480 4.243 ( 2.444 11.542 -1.454) 11.887 4.954 ( 0.885 -11.274 -2.407) 11.562 5.535 ( -1.381 1.744 -5.085) 5.550 5.780 ( 4.584 0.554 -2.922) 5.464 5.995 ( 4.002 1.510 -4.104) 5.928 6.319 ( 0.422 1.884 -5.844) 6.155 6.355 ( 1.342 2.809 -4.823) 5.740 6.444 ( 4.132 -1.663 -2.996) 5.368 6.519 ( 0.785 -3.744 -0.303) 3.838 6.746 ( -3.303 -4.392 1.552) 5.710 6.912 ( -0.692 6.504 0.210) 6.544 7.216 ( -1.838 -0.030 -1.868) 2.621 7.489 ( -0.755 -6.767 4.878) 8.376 7.813 ( -2.908 0.984 0.634) 3.135 7.921 ( -3.706 -1.099 -1.401) 4.112 8.200 ( -2.347 -0.971 6.370) 6.858 8.322 ( -3.445 -0.917 1.962) 4.069 8.415 ( 2.969 1.039 1.110) 3.335 8.553 ( 1.248 -2.240 3.036) 3.974 8.757 ( 7.933 1.599 5.588) 9.834 8.892 ( -3.792 2.242 -0.097) 4.406 9.186 ( -0.008 0.865 0.010) 0.866 9.313 ( -2.518 -1.375 -2.240) 3.640 9.425 ( -1.273 1.457 -3.308) 3.832 ======================= Grid point 129 (60/105) ======================= q-point: (-0.11 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 0.760 0.175 0.035) 0.781 1.344 ( 7.228 -3.636 3.734) 8.911 1.553 ( 2.243 1.413 -3.177) 4.138 1.721 ( 0.167 -0.549 1.510) 1.615 1.796 ( 2.517 -0.336 2.536) 3.589 2.008 ( -3.775 2.494 -4.652) 6.490 2.147 ( -2.173 1.242 3.603) 4.387 2.327 ( -3.970 -2.345 -0.054) 4.611 2.494 ( -1.152 -2.084 4.502) 5.093 2.652 ( 0.724 2.479 -0.913) 2.739 2.747 ( 2.240 -0.062 4.511) 5.037 2.903 ( 3.953 2.584 2.065) 5.154 3.056 ( 0.721 -1.590 0.685) 1.875 3.128 ( 9.235 0.613 6.532) 11.329 3.449 ( -5.242 -0.326 -3.902) 6.543 3.531 ( -2.976 1.067 1.894) 3.685 3.777 ( 2.029 -4.310 -2.458) 5.360 3.999 ( -1.210 3.420 0.455) 3.656 4.303 ( 3.548 -0.726 -2.395) 4.342 4.830 ( 0.839 -0.423 -1.682) 1.927 5.494 ( -1.432 1.808 -4.476) 5.036 5.733 ( 2.954 -0.087 -3.343) 4.463 5.918 ( 3.986 -1.712 -6.297) 7.647 6.241 ( 0.321 -0.766 -2.842) 2.961 6.313 ( 1.931 -1.298 -4.823) 5.355 6.401 ( -2.120 1.503 -2.031) 3.298 6.547 ( 2.700 -0.034 3.217) 4.200 6.732 ( 0.319 -0.713 2.087) 2.229 6.978 ( -0.744 3.795 -1.054) 4.008 7.160 ( -0.710 -1.741 -3.660) 4.114 7.489 ( -1.858 -2.487 4.927) 5.823 7.855 ( -7.559 1.296 1.353) 7.788 7.910 ( 0.973 0.865 1.310) 1.847 8.232 ( 0.665 -0.616 0.270) 0.946 8.324 ( -1.940 -2.173 2.747) 4.004 8.449 ( 0.298 -0.224 1.425) 1.473 8.592 ( 1.855 2.159 2.666) 3.899 8.844 ( 1.282 0.569 2.736) 3.075 8.926 ( -0.458 2.412 1.711) 2.992 9.158 ( 1.366 -1.996 -1.902) 3.077 9.278 ( -1.547 -1.179 -0.886) 2.137 9.407 ( -1.121 0.746 -1.618) 2.106 ======================= Grid point 134 (61/105) ======================= q-point: ( 0.44 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -0.062 0.895 0.000) 0.897 1.529 ( -11.065 2.803 0.000) 11.415 1.619 ( -3.885 7.754 0.000) 8.672 1.766 ( -0.162 -2.271 -0.000) 2.277 1.869 ( -3.405 0.544 0.000) 3.448 1.985 ( 0.942 -0.336 -0.000) 1.000 2.122 ( 4.711 -3.669 -0.000) 5.971 2.245 ( 0.945 -2.939 -0.000) 3.088 2.477 ( -2.257 0.697 0.000) 2.362 2.499 ( -1.162 1.988 0.000) 2.303 2.600 ( -0.400 -1.127 -0.000) 1.196 2.750 ( 6.860 -1.237 -0.000) 6.970 2.989 ( 5.740 0.971 -0.000) 5.821 3.159 ( -9.008 9.137 0.000) 12.831 3.426 ( 6.353 -0.199 -0.000) 6.357 3.535 ( 1.627 4.896 0.000) 5.159 3.600 ( 7.444 -0.643 -0.000) 7.472 3.917 ( 0.846 -1.781 -0.000) 1.971 4.071 ( 1.896 -0.634 -0.000) 1.999 5.267 ( -8.525 -2.034 0.000) 8.765 5.625 ( 1.369 -1.383 -0.000) 1.946 5.662 ( 6.085 7.503 0.000) 9.660 6.126 ( 0.894 4.109 0.000) 4.205 6.177 ( 4.622 -1.475 -0.000) 4.851 6.350 ( -0.325 1.651 0.000) 1.683 6.514 ( -4.501 -0.617 0.000) 4.543 6.707 ( -4.273 1.012 0.000) 4.392 6.770 ( 1.002 1.601 0.000) 1.888 7.037 ( 0.097 -5.744 -0.000) 5.745 7.181 ( -1.724 0.135 0.000) 1.729 7.508 ( -3.656 1.322 0.000) 3.888 7.809 ( 1.467 -2.319 -0.000) 2.744 7.940 ( -0.163 1.353 0.000) 1.363 8.069 ( -1.691 -4.716 -0.000) 5.010 8.242 ( -1.646 -1.106 0.000) 1.984 8.453 ( -5.201 2.287 0.000) 5.681 8.653 ( -0.479 -1.266 -0.000) 1.354 8.804 ( 1.655 -0.398 -0.000) 1.702 8.816 ( 0.519 3.377 0.000) 3.417 8.999 ( 7.373 -2.422 -0.000) 7.760 9.375 ( -2.564 -0.287 0.000) 2.580 9.460 ( 1.031 -0.951 -0.000) 1.402 ======================= Grid point 135 (62/105) ======================= q-point: ( 0.56 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 0.437 0.775 -0.180) 0.908 1.556 ( -6.014 0.947 0.376) 6.100 1.688 ( -1.170 -2.323 0.979) 2.779 1.738 ( 2.150 -0.976 2.520) 3.453 1.853 ( -3.026 -1.482 -1.129) 3.553 1.995 ( 0.792 0.745 0.712) 1.300 2.064 ( 1.986 -2.560 -1.250) 3.472 2.244 ( -1.508 -0.985 3.031) 3.526 2.447 ( -2.061 -1.231 -1.569) 2.868 2.575 ( -1.366 1.824 1.782) 2.893 2.612 ( -0.573 3.947 2.295) 4.602 2.760 ( 3.912 -1.533 4.025) 5.818 2.984 ( 7.089 -0.296 -0.658) 7.126 3.254 ( -2.663 4.974 0.721) 5.688 3.414 ( 8.871 -2.763 0.466) 9.303 3.601 ( -2.154 4.344 -0.748) 4.906 3.644 ( 1.460 3.866 1.303) 4.333 3.950 ( 4.264 8.745 -0.785) 9.761 4.049 ( 2.200 -3.052 0.419) 3.785 5.217 ( -5.046 -4.196 -1.601) 6.755 5.565 ( -0.973 -2.384 -3.063) 4.001 5.783 ( 6.919 6.744 1.025) 9.716 6.098 ( 4.983 -1.246 -4.307) 6.703 6.186 ( 0.032 6.713 -5.187) 8.483 6.367 ( 1.009 1.627 -0.208) 1.926 6.504 ( -4.959 0.821 -2.940) 5.823 6.706 ( -3.308 -1.377 -1.090) 3.745 6.783 ( 1.475 2.207 -0.339) 2.676 6.907 ( 2.818 -8.794 -2.507) 9.569 7.189 ( -2.729 -0.173 0.579) 2.795 7.529 ( -3.746 0.651 0.805) 3.887 7.790 ( -0.214 -2.486 1.703) 3.021 7.967 ( -3.048 -4.028 0.242) 5.057 8.037 ( -1.356 1.463 4.206) 4.656 8.240 ( -2.649 -1.743 2.937) 4.322 8.480 ( -3.771 -1.124 2.301) 4.559 8.631 ( 1.561 -0.432 -2.216) 2.745 8.730 ( 2.115 -4.707 3.337) 6.145 8.934 ( 5.781 0.981 2.245) 6.279 9.013 ( 0.930 6.471 0.773) 6.583 9.352 ( -2.600 -0.108 -2.879) 3.881 9.433 ( -0.032 -0.813 -2.026) 2.183 ======================= Grid point 137 (63/105) ======================= q-point: (-0.33 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 0.733 0.501 -0.460) 1.000 1.560 ( -1.303 -1.979 0.252) 2.383 1.633 ( -0.832 -4.115 -0.051) 4.198 1.727 ( 1.852 -3.142 -0.601) 3.697 1.852 ( 1.507 -1.165 3.224) 3.744 1.969 ( -3.026 -0.729 -4.371) 5.366 2.067 ( 0.307 -1.041 4.314) 4.448 2.276 ( -4.281 0.746 1.578) 4.623 2.433 ( -0.806 0.885 0.831) 1.457 2.594 ( 0.437 1.771 -0.615) 1.925 2.728 ( 0.884 0.746 5.810) 5.924 2.811 ( 0.237 1.235 4.851) 5.011 3.000 ( 5.747 1.939 1.902) 6.356 3.330 ( 4.573 2.523 2.169) 5.656 3.359 ( 5.986 -2.498 -1.382) 6.632 3.573 ( -4.868 -4.935 -1.437) 7.079 3.762 ( -1.704 9.086 1.265) 9.331 3.978 ( -0.036 -4.335 -1.697) 4.655 4.124 ( 8.673 14.402 -0.659) 16.825 5.102 ( -1.322 -8.293 -2.746) 8.835 5.491 ( -2.881 -1.016 -4.216) 5.207 5.830 ( 5.189 2.255 -3.878) 6.859 6.040 ( 4.926 1.047 -3.245) 5.991 6.207 ( -1.222 7.908 -6.469) 10.289 6.384 ( 1.907 1.391 -2.358) 3.336 6.449 ( -3.090 -0.708 -4.310) 5.350 6.612 ( -0.190 -4.476 -3.382) 5.613 6.788 ( 1.772 -4.228 -0.946) 4.681 6.851 ( 1.940 3.337 3.191) 5.008 7.185 ( -2.179 -0.002 -1.237) 2.506 7.541 ( -4.121 -3.562 3.679) 6.573 7.758 ( -5.420 -4.104 -0.189) 6.801 7.911 ( -0.536 -1.440 0.047) 1.538 8.154 ( -3.126 1.748 7.081) 7.936 8.268 ( -3.278 -0.384 2.854) 4.364 8.477 ( 0.545 -3.432 2.243) 4.136 8.599 ( 1.689 -2.618 1.404) 3.417 8.755 ( -1.738 2.198 1.212) 3.053 8.956 ( 10.189 -0.948 3.011) 10.667 9.129 ( -1.160 5.990 1.588) 6.304 9.302 ( -2.096 -0.889 -3.208) 3.933 9.394 ( -0.896 0.271 -2.784) 2.937 ======================= Grid point 138 (64/105) ======================= q-point: (-0.22 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 0.679 0.374 -0.419) 0.881 1.503 ( 3.108 -6.220 0.180) 6.956 1.557 ( -1.274 -1.931 -5.565) 6.026 1.704 ( -1.709 -0.272 0.981) 1.989 1.845 ( -1.029 -1.436 -2.673) 3.204 1.928 ( -1.290 -0.252 0.725) 1.501 2.109 ( -2.214 0.528 2.872) 3.665 2.302 ( -2.074 0.061 1.551) 2.591 2.487 ( -0.870 0.693 3.800) 3.960 2.612 ( -1.272 1.804 -0.587) 2.284 2.787 ( 3.244 -0.466 4.976) 5.958 2.911 ( 2.873 3.321 3.101) 5.376 3.062 ( 2.224 1.644 1.732) 3.263 3.303 ( 8.286 -3.838 2.252) 9.405 3.379 ( -3.062 0.180 -4.348) 5.321 3.495 ( -1.731 -0.654 1.461) 2.358 3.846 ( -1.092 -1.232 -3.308) 3.695 3.919 ( -1.999 1.886 1.885) 3.333 4.300 ( 9.452 12.715 -1.999) 15.969 4.932 ( 0.808 -10.112 -2.603) 10.473 5.431 ( -4.441 0.586 -3.971) 5.986 5.779 ( 4.517 0.891 -5.037) 6.824 6.003 ( 5.298 -0.454 -4.719) 7.109 6.211 ( -3.241 4.140 -5.907) 7.908 6.308 ( 1.465 -0.259 -5.005) 5.221 6.388 ( -4.042 -2.353 -2.635) 5.368 6.599 ( 5.057 1.361 2.133) 5.654 6.742 ( 0.119 -1.408 0.373) 1.461 6.937 ( 1.568 2.819 2.452) 4.052 7.154 ( -0.999 0.407 -3.302) 3.474 7.518 ( -3.917 -7.260 4.078) 9.202 7.722 ( -10.375 -0.473 0.933) 10.428 7.927 ( 2.704 0.628 2.352) 3.639 8.230 ( -3.104 -0.620 2.271) 3.896 8.300 ( -3.542 -0.252 2.264) 4.211 8.467 ( 2.045 -1.347 1.375) 2.808 8.597 ( 0.778 -1.169 2.027) 2.466 8.796 ( -3.040 2.167 -0.053) 3.734 8.999 ( 9.637 0.678 3.401) 10.241 9.197 ( 1.486 0.803 0.701) 1.829 9.253 ( -2.004 -0.238 -1.971) 2.821 9.379 ( -1.092 1.188 -0.668) 1.746 ======================= Grid point 139 (65/105) ======================= q-point: (-0.11 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 0.391 -0.015 -0.459) 0.603 1.386 ( -0.650 -1.897 -7.194) 7.468 1.491 ( -1.885 0.553 -3.127) 3.693 1.712 ( -2.446 -0.699 0.346) 2.567 1.794 ( -3.380 2.688 -4.600) 6.309 1.948 ( -0.443 -0.785 2.575) 2.729 2.168 ( -1.761 1.749 3.067) 3.945 2.321 ( 0.121 -1.253 2.589) 2.879 2.517 ( -1.943 -2.595 2.584) 4.146 2.625 ( -1.925 2.216 -1.391) 3.248 2.853 ( 4.952 1.124 1.731) 5.365 2.943 ( 5.127 0.493 -3.026) 5.974 3.074 ( 0.178 -2.349 1.618) 2.859 3.180 ( -6.420 -1.548 -10.946) 12.784 3.424 ( 6.354 3.761 8.021) 10.902 3.558 ( -0.344 1.000 2.499) 2.713 3.749 ( -0.724 -3.893 -2.008) 4.440 3.979 ( -2.887 1.458 0.965) 3.375 4.368 ( 9.931 -0.710 -1.797) 10.117 4.819 ( 0.570 0.025 -1.264) 1.387 5.401 ( -5.351 1.172 -2.529) 6.034 5.738 ( 4.037 0.737 -2.638) 4.878 5.905 ( 4.795 -2.755 -4.460) 7.105 6.195 ( -2.492 2.819 -2.102) 4.309 6.269 ( 0.364 0.706 -3.237) 3.333 6.327 ( -4.319 -2.862 -0.860) 5.253 6.592 ( -0.720 -1.634 -3.148) 3.619 6.778 ( 3.828 1.563 2.981) 5.097 6.987 ( 1.657 1.235 1.099) 2.341 7.134 ( 1.307 0.855 -0.105) 1.565 7.489 ( -4.971 -1.113 0.994) 5.190 7.755 ( -9.737 -0.926 4.681) 10.844 7.969 ( 2.487 0.311 1.497) 2.919 8.224 ( -0.234 0.988 -1.849) 2.110 8.313 ( -4.730 -1.326 1.720) 5.205 8.461 ( 0.492 -0.605 -0.823) 1.133 8.619 ( 1.989 1.785 -0.115) 2.675 8.810 ( -4.232 0.113 0.162) 4.236 9.056 ( 7.788 0.564 2.800) 8.295 9.166 ( 2.562 -2.558 -0.889) 3.728 9.265 ( 0.158 1.545 1.191) 1.957 9.394 ( -0.335 -0.165 1.051) 1.116 ======================= Grid point 143 (66/105) ======================= q-point: ( 0.33 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -0.970 2.661 0.000) 2.833 1.249 ( -15.614 9.247 0.000) 18.146 1.401 ( -5.642 13.610 0.000) 14.733 1.759 ( -0.785 0.908 0.000) 1.200 1.832 ( -2.508 -0.434 0.000) 2.545 1.973 ( -1.712 1.620 0.000) 2.357 2.222 ( 0.445 -1.176 -0.000) 1.257 2.313 ( 2.500 -2.570 -0.000) 3.585 2.390 ( -2.378 3.402 0.000) 4.151 2.543 ( 3.537 -1.083 -0.000) 3.699 2.606 ( -1.008 1.303 0.000) 1.647 2.722 ( -5.181 9.056 0.000) 10.433 2.977 ( 2.296 2.265 -0.000) 3.225 3.085 ( 6.226 -5.137 -0.000) 8.072 3.500 ( 1.391 -2.138 -0.000) 2.551 3.539 ( 3.581 0.589 -0.000) 3.629 3.704 ( 3.324 -2.552 -0.000) 4.191 4.018 ( 5.864 -4.953 -0.000) 7.676 4.094 ( 3.788 2.012 -0.000) 4.289 5.123 ( -13.565 0.031 0.000) 13.565 5.617 ( 6.310 10.686 0.000) 12.410 5.670 ( 0.642 -1.794 -0.000) 1.905 6.096 ( 2.292 2.032 -0.000) 3.063 6.274 ( 5.415 0.073 -0.000) 5.416 6.293 ( -2.363 2.806 0.000) 3.668 6.537 ( -0.695 -7.771 -0.000) 7.802 6.575 ( -6.289 5.317 0.000) 8.235 6.723 ( -2.998 4.063 0.000) 5.049 7.087 ( 2.115 -1.548 -0.000) 2.620 7.194 ( -0.423 -2.591 -0.000) 2.625 7.424 ( -5.108 1.556 0.000) 5.340 7.828 ( -4.323 -2.032 0.000) 4.777 7.947 ( 3.490 2.362 -0.000) 4.214 8.104 ( -1.946 -3.677 -0.000) 4.160 8.268 ( 4.595 0.428 -0.000) 4.615 8.378 ( -2.849 -1.233 0.000) 3.104 8.564 ( -6.118 12.235 0.000) 13.679 8.676 ( -0.877 -2.561 -0.000) 2.707 9.006 ( 5.004 -7.975 -0.000) 9.415 9.109 ( 4.714 -1.177 -0.000) 4.858 9.357 ( -1.820 -1.635 0.000) 2.446 9.494 ( 1.422 -1.161 -0.000) 1.836 ======================= Grid point 144 (67/105) ======================= q-point: ( 0.44 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 0.171 1.333 0.119) 1.349 1.375 ( -11.073 6.936 1.353) 13.136 1.599 ( -3.411 10.910 3.171) 11.863 1.757 ( -1.226 -0.758 -0.252) 1.464 1.807 ( -2.848 -1.392 -1.728) 3.610 2.001 ( -0.573 -0.258 2.798) 2.867 2.175 ( 3.695 -4.833 0.326) 6.092 2.266 ( 0.099 -2.894 -0.864) 3.022 2.427 ( -3.120 -0.649 0.549) 3.233 2.542 ( 2.054 0.562 3.754) 4.316 2.619 ( 2.266 -0.605 1.596) 2.837 2.844 ( 2.600 1.273 2.652) 3.926 3.045 ( 1.784 4.475 -1.947) 5.196 3.075 ( -2.415 7.196 2.120) 7.881 3.463 ( 0.100 -0.078 -0.355) 0.377 3.549 ( -0.082 -1.160 0.851) 1.441 3.705 ( 5.956 0.879 -0.180) 6.023 3.971 ( 7.426 0.559 -1.259) 7.553 4.113 ( 4.479 -0.133 0.794) 4.551 5.119 ( -11.453 0.483 -1.366) 11.544 5.613 ( 0.774 -3.379 -2.329) 4.176 5.758 ( 5.038 8.793 0.023) 10.134 6.086 ( 1.408 4.334 -7.192) 8.514 6.241 ( 7.835 -0.933 -3.580) 8.665 6.329 ( -2.481 2.335 -0.638) 3.466 6.453 ( -1.576 -2.140 -0.805) 2.777 6.643 ( -5.492 1.716 0.549) 5.780 6.746 ( -2.249 3.374 -2.453) 4.739 7.036 ( 3.149 -3.944 -2.276) 5.537 7.172 ( -1.362 -1.941 1.406) 2.756 7.445 ( -5.474 0.919 0.753) 5.601 7.822 ( -1.790 -2.638 3.199) 4.516 7.977 ( 0.060 -0.437 0.205) 0.486 8.055 ( 0.867 -3.851 2.765) 4.820 8.256 ( 0.433 -3.205 2.330) 3.985 8.409 ( -3.127 2.692 2.112) 4.635 8.626 ( -2.045 -0.417 -0.772) 2.225 8.777 ( -3.126 10.415 3.197) 11.334 8.899 ( 3.294 -8.434 1.958) 9.263 9.099 ( 6.380 -0.582 0.276) 6.413 9.318 ( -1.852 -0.287 -3.406) 3.887 9.461 ( 0.848 -1.850 -1.685) 2.642 ======================= Grid point 145 (68/105) ======================= q-point: ( 0.56 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 0.504 0.791 -0.271) 0.976 1.463 ( -6.709 4.078 0.683) 7.881 1.686 ( -1.385 -3.007 -0.182) 3.315 1.750 ( -3.164 -0.981 -2.339) 4.056 1.809 ( -1.658 5.031 2.536) 5.873 2.011 ( 1.914 -3.718 1.317) 4.385 2.125 ( 1.440 -4.913 2.155) 5.555 2.222 ( -2.669 -0.179 -1.028) 2.866 2.415 ( 0.448 0.451 0.312) 0.708 2.606 ( 2.003 -0.482 1.277) 2.424 2.687 ( -0.643 2.682 8.681) 9.109 2.862 ( 2.891 -3.361 4.025) 5.988 3.053 ( 6.119 3.629 -3.013) 7.727 3.233 ( -3.825 6.707 3.083) 8.314 3.477 ( -0.237 -1.254 -0.358) 1.326 3.558 ( -3.128 2.992 0.874) 4.416 3.684 ( 3.518 -1.969 -0.771) 4.104 3.995 ( 3.569 2.813 -1.959) 4.948 4.134 ( 10.388 5.177 -0.244) 11.609 5.091 ( -8.751 -0.679 -2.742) 9.196 5.516 ( -0.235 -5.074 -3.241) 6.025 5.839 ( 3.457 5.822 -3.515) 7.629 6.039 ( 0.761 5.313 -8.917) 10.407 6.182 ( 7.073 -0.003 -2.903) 7.646 6.343 ( -3.273 2.087 -1.799) 4.279 6.431 ( 0.447 0.193 -2.106) 2.162 6.612 ( -4.294 -1.222 -3.375) 5.597 6.794 ( -0.995 3.531 1.108) 3.832 6.940 ( 5.582 -4.753 -1.349) 7.455 7.165 ( -1.331 -0.537 -0.530) 1.529 7.475 ( -6.754 -0.368 3.302) 7.527 7.796 ( -3.212 -8.095 0.812) 8.746 7.929 ( -0.648 -1.366 0.019) 1.512 8.115 ( 1.241 0.513 6.254) 6.397 8.256 ( -1.844 -2.620 3.270) 4.578 8.475 ( -3.448 0.186 3.753) 5.100 8.624 ( 0.419 1.155 -0.041) 1.230 8.789 ( 2.010 -5.813 0.543) 6.175 8.987 ( -2.157 8.023 4.372) 9.388 9.104 ( 7.202 0.454 0.794) 7.260 9.270 ( -1.609 0.943 -3.935) 4.355 9.405 ( 0.226 -2.117 -2.112) 2.999 ======================= Grid point 146 (69/105) ======================= q-point: (-0.33 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 0.570 0.521 -0.599) 0.977 1.497 ( -3.920 1.443 -2.384) 4.810 1.610 ( -2.380 -4.725 -2.912) 6.039 1.694 ( -2.227 -1.643 -2.037) 3.437 1.841 ( -0.754 -2.328 -2.531) 3.521 1.973 ( 0.175 -3.007 1.421) 3.331 2.083 ( -1.611 -2.448 1.627) 3.352 2.269 ( -0.269 2.264 3.725) 4.367 2.456 ( 0.591 2.992 1.454) 3.378 2.601 ( -0.340 -2.302 1.228) 2.631 2.833 ( 2.123 1.634 5.917) 6.496 2.899 ( 2.034 0.858 5.552) 5.975 3.075 ( 4.721 4.079 -1.785) 6.489 3.284 ( -5.276 -0.174 -4.470) 6.918 3.473 ( 2.531 0.513 3.758) 4.559 3.522 ( 2.590 -5.427 -2.349) 6.456 3.731 ( -4.416 5.961 1.106) 7.500 3.951 ( 0.134 -3.858 -1.335) 4.085 4.265 ( 13.152 13.820 -1.638) 19.149 5.023 ( -4.766 -3.999 -2.890) 6.860 5.400 ( -2.645 -4.689 -3.523) 6.434 5.824 ( 4.298 2.282 -5.684) 7.483 6.015 ( 0.180 6.161 -6.041) 8.630 6.153 ( 3.038 -0.136 -2.843) 4.163 6.330 ( -3.182 0.086 -3.348) 4.620 6.355 ( -0.355 -1.622 -5.525) 5.769 6.605 ( 0.272 2.355 0.427) 2.409 6.790 ( 2.281 -0.940 -2.300) 3.373 6.945 ( 3.303 0.738 4.587) 5.700 7.142 ( -0.379 -0.243 -1.699) 1.758 7.523 ( -8.273 -2.547 5.898) 10.475 7.650 ( -5.737 -8.935 -1.854) 10.779 7.956 ( 2.154 0.934 2.756) 3.621 8.187 ( -1.523 -0.117 2.598) 3.014 8.269 ( -2.396 -1.336 2.805) 3.923 8.502 ( -2.754 -2.441 2.713) 4.572 8.644 ( 3.331 -0.264 1.077) 3.510 8.744 ( -0.640 0.021 -0.784) 1.012 9.096 ( 3.947 1.523 1.260) 4.414 9.155 ( 1.731 4.859 1.348) 5.331 9.253 ( 0.258 0.828 -0.024) 0.867 9.360 ( -0.503 -1.033 -0.721) 1.357 ======================= Grid point 147 (70/105) ======================= q-point: (-0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 0.528 0.538 -0.681) 1.016 1.407 ( -2.972 -3.162 -10.147) 11.036 1.462 ( -4.819 -3.868 -8.162) 10.237 1.685 ( -2.011 0.977 0.692) 2.340 1.761 ( -0.011 -2.983 -1.549) 3.361 1.944 ( -3.918 -2.328 0.570) 4.593 2.130 ( 0.454 1.504 4.275) 4.554 2.330 ( -0.202 -0.097 2.427) 2.438 2.509 ( -0.549 1.618 0.859) 1.913 2.582 ( -2.553 -1.805 0.500) 3.167 2.902 ( 5.114 1.471 -0.150) 5.323 2.982 ( 3.565 3.169 0.485) 4.795 3.091 ( 0.335 1.639 -3.609) 3.978 3.140 ( -4.916 -3.948 -7.603) 9.877 3.462 ( 4.097 0.189 2.433) 4.769 3.566 ( 2.592 0.719 5.419) 6.050 3.765 ( -4.197 -1.457 -1.306) 4.631 3.922 ( -1.961 -0.247 2.025) 2.830 4.428 ( 12.668 12.755 -2.080) 18.097 4.904 ( -0.452 -8.042 -1.904) 8.276 5.310 ( -6.622 -1.760 -2.818) 7.409 5.783 ( 4.614 1.653 -3.781) 6.190 6.009 ( 4.368 -0.013 -4.034) 5.946 6.096 ( -3.029 1.970 -3.796) 5.241 6.264 ( 0.299 0.389 -3.105) 3.143 6.314 ( -2.928 -1.281 -0.830) 3.302 6.576 ( -3.468 -1.244 -6.541) 7.507 6.823 ( 6.481 3.705 3.842) 8.396 7.010 ( 2.605 -0.207 3.741) 4.563 7.130 ( 0.853 0.947 -0.036) 1.276 7.466 ( -6.097 -6.148 -2.474) 9.005 7.637 ( -10.076 -2.629 8.931) 13.718 8.007 ( 3.491 1.038 1.813) 4.069 8.180 ( -2.640 0.506 -2.494) 3.666 8.277 ( -3.331 -1.582 0.235) 3.695 8.493 ( -0.862 -2.583 1.152) 2.956 8.643 ( 3.187 -0.553 0.488) 3.272 8.755 ( -1.205 2.488 -1.149) 2.994 9.123 ( 4.318 1.480 0.828) 4.639 9.213 ( -1.339 1.305 0.021) 1.870 9.271 ( 5.181 -0.731 2.784) 5.927 9.377 ( -0.900 1.537 2.209) 2.838 ======================= Grid point 148 (71/105) ======================= q-point: (-0.11 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 0.488 -0.490 -1.839) 1.965 1.192 ( -4.479 0.060 -13.894) 14.598 1.317 ( -9.771 0.855 -10.755) 14.556 1.704 ( -0.182 -1.570 1.776) 2.377 1.737 ( -0.282 1.976 -0.886) 2.184 1.938 ( -4.128 -0.639 1.390) 4.402 2.186 ( -4.712 0.700 -0.977) 4.863 2.330 ( -0.168 -0.674 -0.598) 0.916 2.521 ( -0.684 -0.297 0.339) 0.819 2.573 ( -3.218 0.602 -0.794) 3.369 2.767 ( -0.301 -0.386 -15.424) 15.432 2.953 ( 3.906 -0.636 -8.264) 9.163 3.057 ( 4.212 0.325 2.643) 4.983 3.139 ( 0.936 -0.254 4.736) 4.834 3.536 ( -2.162 0.511 1.805) 2.863 3.624 ( 4.920 1.628 3.519) 6.265 3.731 ( -0.249 -1.486 1.392) 2.052 3.950 ( -4.202 -0.303 1.436) 4.451 4.507 ( 12.946 -0.619 -1.335) 13.029 4.811 ( 0.106 0.552 -0.579) 0.807 5.272 ( -9.562 0.254 -1.807) 9.734 5.761 ( 3.374 0.435 -2.339) 4.128 5.940 ( 5.602 -2.049 -0.508) 5.987 6.125 ( -4.841 3.542 0.091) 5.999 6.246 ( 0.327 0.474 -1.042) 1.190 6.282 ( -1.725 -2.885 0.208) 3.368 6.458 ( -5.439 -0.439 -6.989) 8.867 6.917 ( 7.612 0.470 4.003) 8.613 7.041 ( 3.030 -0.602 2.132) 3.754 7.174 ( 0.999 2.543 2.412) 3.644 7.381 ( -7.479 -0.378 -3.034) 8.080 7.739 ( -8.201 -1.294 9.906) 12.925 7.993 ( 3.201 -1.378 -3.739) 5.111 8.179 ( -3.273 4.276 -2.145) 5.796 8.231 ( -5.264 -2.431 -2.548) 6.333 8.471 ( 2.673 -1.103 0.055) 2.892 8.638 ( 2.167 1.081 -2.790) 3.694 8.774 ( -1.874 0.130 1.650) 2.500 9.161 ( 3.782 0.376 1.697) 4.162 9.195 ( 1.865 -2.219 0.538) 2.948 9.319 ( 3.193 2.038 1.779) 4.185 9.423 ( 0.756 -0.634 2.843) 3.010 ======================= Grid point 151 (72/105) ======================= q-point: ( 0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -10.127 13.771 0.000) 17.094 0.902 ( -7.070 13.376 0.000) 15.130 1.176 ( -2.663 7.694 0.000) 8.142 1.701 ( -3.086 11.894 0.000) 12.288 1.796 ( -2.533 2.032 0.000) 3.248 1.838 ( -2.507 10.542 0.000) 10.836 2.093 ( -2.242 8.171 0.000) 8.473 2.341 ( -0.775 -1.137 -0.000) 1.376 2.407 ( 3.121 -2.616 -0.000) 4.072 2.518 ( -3.960 -0.749 0.000) 4.031 2.589 ( 3.438 2.367 -0.000) 4.174 2.686 ( 0.595 -2.629 -0.000) 2.696 3.041 ( 4.494 -3.310 -0.000) 5.581 3.244 ( 0.369 -8.540 -0.000) 8.548 3.497 ( -2.051 -0.263 0.000) 2.068 3.598 ( 6.111 3.031 -0.000) 6.821 3.780 ( -1.141 -7.276 -0.000) 7.365 4.044 ( -1.741 2.139 0.000) 2.758 4.264 ( 13.510 -5.781 -0.000) 14.695 4.926 ( -13.610 0.378 0.000) 13.615 5.540 ( 4.123 11.519 0.000) 12.234 5.678 ( -0.466 0.989 0.000) 1.094 6.125 ( 2.143 -0.748 -0.000) 2.269 6.223 ( -1.757 2.413 0.000) 2.985 6.297 ( -0.395 2.328 0.000) 2.362 6.439 ( 0.136 4.368 0.000) 4.371 6.601 ( -5.386 3.798 0.000) 6.590 6.714 ( 6.169 -9.728 -0.000) 11.519 7.139 ( 2.502 -0.463 -0.000) 2.545 7.213 ( -1.086 -1.428 -0.000) 1.794 7.341 ( -4.102 0.901 0.000) 4.200 7.768 ( -3.947 1.106 0.000) 4.099 7.928 ( 1.544 5.354 0.000) 5.572 8.116 ( 0.185 3.316 0.000) 3.321 8.266 ( 0.158 5.453 0.000) 5.456 8.378 ( -2.420 -0.089 0.000) 2.422 8.442 ( 0.474 -6.129 -0.000) 6.147 8.690 ( -1.819 -2.135 -0.000) 2.805 9.148 ( 1.498 -5.629 -0.000) 5.825 9.170 ( 2.300 -1.851 -0.000) 2.952 9.370 ( 0.318 -1.478 -0.000) 1.511 9.523 ( 0.775 -0.845 -0.000) 1.146 ======================= Grid point 152 (73/105) ======================= q-point: ( 0.33 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -0.312 3.846 1.003) 3.987 1.101 ( -8.203 12.334 3.559) 15.234 1.364 ( -3.553 14.387 3.939) 15.334 1.741 ( -0.766 0.617 -1.092) 1.469 1.799 ( -1.278 -0.451 -0.809) 1.578 1.974 ( -1.816 2.030 3.824) 4.695 2.235 ( -0.456 1.747 2.771) 3.307 2.314 ( -0.936 -2.849 -1.531) 3.368 2.389 ( 0.380 2.129 1.450) 2.604 2.576 ( 0.551 3.698 1.711) 4.111 2.641 ( 1.150 5.335 2.703) 6.090 2.679 ( -1.982 2.361 2.206) 3.791 3.013 ( 3.131 0.635 -1.330) 3.460 3.131 ( 0.694 -6.369 -0.244) 6.411 3.481 ( -1.896 -2.165 0.157) 2.882 3.599 ( 3.756 -3.666 0.164) 5.251 3.734 ( 1.405 1.651 -0.437) 2.211 4.043 ( -1.074 -1.558 -0.131) 1.897 4.224 ( 12.141 -0.604 -0.058) 12.156 4.936 ( -11.741 1.455 -0.797) 11.858 5.635 ( 0.578 3.666 -4.046) 5.490 5.703 ( 2.191 4.777 0.672) 5.298 6.073 ( 1.374 1.386 -7.260) 7.518 6.257 ( -1.451 2.116 0.200) 2.574 6.319 ( 4.293 3.160 -3.421) 6.334 6.480 ( -0.820 3.512 -1.799) 4.030 6.583 ( -2.273 -3.168 -1.274) 4.103 6.657 ( -0.219 0.065 0.471) 0.523 7.107 ( 0.547 -2.345 -1.887) 3.059 7.193 ( 0.383 -1.840 0.615) 1.978 7.371 ( -3.439 0.974 2.402) 4.306 7.806 ( -2.305 0.271 3.358) 4.082 7.980 ( 0.903 1.572 -0.613) 1.914 8.121 ( 1.022 -3.369 3.795) 5.176 8.331 ( 3.016 -2.228 -0.730) 3.820 8.358 ( -0.622 0.642 1.728) 1.945 8.488 ( -5.155 10.136 1.289) 11.444 8.693 ( -2.345 -2.513 5.716) 6.670 9.046 ( 0.364 -8.308 -0.147) 8.317 9.160 ( 2.753 0.141 -0.527) 2.806 9.325 ( 0.988 -1.598 -2.796) 3.369 9.495 ( 0.611 -1.456 -1.836) 2.421 ======================= Grid point 153 (74/105) ======================= q-point: ( 0.44 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 0.260 1.180 0.126) 1.215 1.295 ( -4.508 8.604 3.383) 10.286 1.596 ( -3.179 10.040 2.243) 10.767 1.717 ( -1.206 -0.812 -1.453) 2.056 1.779 ( -0.808 -0.959 0.784) 1.478 2.043 ( -0.760 0.262 3.635) 3.723 2.177 ( -3.531 -5.194 -2.932) 6.932 2.265 ( 3.761 -4.283 1.458) 5.884 2.432 ( 0.819 -0.555 1.795) 2.049 2.632 ( 2.461 1.191 3.617) 4.534 2.683 ( 0.711 -0.997 3.914) 4.101 2.885 ( -3.188 6.361 5.136) 8.775 3.034 ( 1.763 5.504 -1.282) 5.919 3.098 ( -0.416 3.038 1.485) 3.407 3.461 ( -0.202 -1.174 0.647) 1.355 3.539 ( -1.548 -4.165 -0.048) 4.444 3.753 ( 3.630 1.432 -1.750) 4.277 4.022 ( 0.829 -0.699 -0.351) 1.139 4.229 ( 11.281 2.775 -1.296) 11.689 4.938 ( -10.671 1.444 -1.943) 10.943 5.575 ( -0.641 -2.956 -3.981) 5.000 5.775 ( 1.157 6.642 -3.245) 7.482 5.996 ( 1.948 3.838 -8.765) 9.765 6.274 ( -0.262 1.543 -2.153) 2.662 6.296 ( 6.169 1.702 -3.768) 7.427 6.470 ( 2.418 -3.330 -0.058) 4.116 6.540 ( -5.563 1.607 -3.084) 6.561 6.706 ( -2.431 4.092 2.507) 5.380 7.040 ( 0.120 -2.816 -2.363) 3.678 7.170 ( 1.390 -0.806 -1.522) 2.213 7.419 ( -2.775 -1.282 4.625) 5.544 7.846 ( -2.123 -3.273 3.824) 5.463 7.934 ( -1.535 -3.043 -2.298) 4.111 8.160 ( 2.573 -1.333 6.047) 6.705 8.287 ( 0.347 -3.365 1.231) 3.600 8.419 ( -0.339 2.825 2.251) 3.628 8.597 ( -3.012 1.831 1.980) 4.043 8.802 ( -1.272 6.376 4.462) 7.886 8.937 ( -0.676 -6.630 1.003) 6.739 9.157 ( 2.385 1.158 -1.181) 2.902 9.268 ( 1.792 -0.949 -2.475) 3.200 9.440 ( 0.311 -1.997 -2.467) 3.189 ======================= Grid point 154 (75/105) ======================= q-point: (-0.44 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 0.355 0.589 -0.419) 0.806 1.414 ( -1.889 4.273 0.571) 4.707 1.596 ( -4.334 -1.546 -5.485) 7.159 1.709 ( -0.403 -2.023 -0.088) 2.065 1.837 ( -0.449 2.203 2.361) 3.260 1.986 ( -3.770 -4.655 -4.281) 7.363 2.139 ( -0.427 -3.572 3.168) 4.794 2.254 ( 2.346 0.194 3.267) 4.027 2.450 ( 2.251 0.242 1.704) 2.833 2.644 ( 0.485 -2.623 0.760) 2.774 2.793 ( -0.454 3.702 7.337) 8.231 2.944 ( 1.548 -0.640 3.004) 3.440 3.061 ( 2.593 4.971 -4.071) 6.929 3.233 ( -1.256 2.085 1.520) 2.869 3.436 ( -4.315 1.172 -0.108) 4.473 3.540 ( -1.773 0.620 2.204) 2.896 3.717 ( 4.245 -1.555 -2.017) 4.951 3.997 ( -0.255 -2.545 -0.861) 2.699 4.287 ( 12.688 9.523 -2.032) 15.993 4.924 ( -9.544 0.984 -2.381) 9.885 5.462 ( -0.972 -5.740 -3.668) 6.881 5.798 ( 0.179 5.629 -5.061) 7.572 5.946 ( 2.343 4.822 -7.215) 8.988 6.239 ( 4.128 -1.502 -2.545) 5.076 6.275 ( -0.714 0.461 -1.699) 1.899 6.382 ( -0.999 -2.567 -5.908) 6.518 6.571 ( 0.504 2.800 1.742) 3.335 6.782 ( -1.875 2.130 0.355) 2.860 6.990 ( 1.465 -0.738 0.150) 1.647 7.142 ( 0.643 0.542 -1.572) 1.783 7.458 ( -4.398 -3.280 5.609) 7.846 7.745 ( -2.214 -10.764 -0.920) 11.027 7.945 ( -0.366 1.964 2.423) 3.140 8.218 ( 2.187 -1.765 4.258) 5.102 8.265 ( -1.242 -2.599 1.684) 3.337 8.473 ( -1.862 0.942 1.073) 2.346 8.635 ( -1.552 1.329 1.866) 2.767 8.805 ( 1.333 -4.870 -0.930) 5.134 9.020 ( -0.973 7.925 3.652) 8.780 9.159 ( 1.747 1.925 -1.658) 3.083 9.248 ( 1.686 0.433 0.589) 1.837 9.387 ( 0.366 -2.000 -0.909) 2.227 ======================= Grid point 155 (76/105) ======================= q-point: (-0.33 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 0.537 0.558 -0.838) 1.141 1.381 ( -3.144 -1.406 -8.848) 9.495 1.478 ( -3.670 -5.001 -7.888) 10.035 1.672 ( 0.311 -1.284 0.322) 1.360 1.798 ( -2.600 -2.939 -2.128) 4.464 1.929 ( -2.192 -2.859 0.235) 3.610 2.149 ( 1.485 -1.396 4.272) 4.734 2.318 ( -0.221 0.871 2.680) 2.827 2.484 ( 1.284 1.508 1.342) 2.393 2.603 ( -1.384 -4.064 0.246) 4.300 2.921 ( 1.052 3.611 0.226) 3.768 2.988 ( 4.420 3.221 -0.514) 5.493 3.052 ( -0.017 2.685 -7.009) 7.506 3.132 ( -2.939 -3.260 -3.277) 5.478 3.521 ( -0.397 -1.699 1.143) 2.086 3.566 ( 1.140 3.762 4.671) 6.104 3.707 ( -1.306 -0.095 1.680) 2.130 3.943 ( -0.399 -3.613 0.080) 3.636 4.420 ( 12.546 13.199 -2.023) 18.322 4.902 ( -7.756 -0.279 -1.614) 7.927 5.323 ( -1.961 -7.816 -3.076) 8.625 5.798 ( 1.751 3.715 -4.287) 5.937 5.945 ( 0.708 6.220 -3.668) 7.255 6.161 ( 1.623 -5.370 -2.379) 6.094 6.257 ( -0.715 -0.075 -1.807) 1.945 6.293 ( -0.262 0.298 -3.269) 3.293 6.562 ( -1.371 -2.134 -5.862) 6.387 6.830 ( 3.197 4.822 3.090) 6.559 7.024 ( 0.380 1.948 2.165) 2.937 7.149 ( 1.136 -0.210 1.732) 2.082 7.451 ( -6.574 -5.261 -0.480) 8.434 7.625 ( -2.527 -9.085 6.846) 11.653 8.004 ( 0.853 3.157 0.550) 3.317 8.200 ( 1.843 -3.340 -0.698) 3.878 8.260 ( -2.825 -2.350 0.594) 3.722 8.480 ( -2.461 -0.022 0.282) 2.477 8.686 ( -2.161 1.806 0.412) 2.846 8.735 ( 3.952 -1.757 -0.989) 4.436 9.133 ( 1.928 4.266 0.146) 4.684 9.173 ( 0.160 1.759 0.653) 1.883 9.305 ( -0.066 3.029 3.406) 4.559 9.368 ( 1.588 -1.221 1.548) 2.532 ======================= Grid point 156 (77/105) ======================= q-point: (-0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 0.726 1.237 -3.156) 3.467 1.197 ( -5.078 -3.473 -11.916) 13.411 1.217 ( -5.018 -7.442 -15.099) 17.565 1.694 ( 1.015 1.600 1.119) 2.201 1.758 ( -0.804 -1.743 0.126) 1.923 1.894 ( -3.626 -3.066 1.547) 4.994 2.136 ( -2.808 -3.119 -6.968) 8.134 2.340 ( 0.093 0.499 1.002) 1.123 2.509 ( 0.618 0.169 -0.096) 0.648 2.552 ( -2.842 -2.620 -0.243) 3.873 2.770 ( 0.449 0.649 -14.292) 14.314 2.982 ( 2.074 2.459 -9.448) 9.981 3.079 ( 4.303 3.932 4.507) 7.368 3.162 ( -1.048 -0.737 5.537) 5.683 3.507 ( 0.374 -0.043 0.377) 0.532 3.664 ( 2.733 1.423 2.780) 4.149 3.740 ( -1.967 -0.603 4.026) 4.521 3.908 ( -2.727 -2.614 0.670) 3.837 4.574 ( 12.096 12.617 -1.756) 17.566 4.865 ( -3.367 -3.837 -0.428) 5.123 5.177 ( -6.452 -6.603 -3.092) 9.736 5.787 ( 2.387 2.011 -3.367) 4.591 6.004 ( -0.248 5.059 -0.045) 5.065 6.061 ( 1.745 -4.461 -0.301) 4.799 6.241 ( 0.602 0.787 -0.977) 1.392 6.282 ( -1.130 0.355 -0.240) 1.209 6.416 ( -4.286 -4.133 -6.923) 9.131 6.964 ( 6.456 6.548 3.539) 9.853 7.087 ( 1.100 2.076 2.637) 3.531 7.167 ( 1.227 -1.922 3.162) 3.898 7.330 ( -5.747 -5.092 -3.972) 8.645 7.671 ( -5.767 -4.798 11.288) 13.554 8.038 ( 0.688 3.388 -2.646) 4.354 8.117 ( 1.681 -2.615 -5.190) 6.050 8.209 ( -4.104 -2.737 -2.203) 5.403 8.497 ( -0.971 -0.061 2.118) 2.331 8.651 ( 0.170 -0.953 -2.903) 3.060 8.763 ( 2.175 2.273 0.751) 3.235 9.176 ( 2.440 2.116 1.119) 3.418 9.213 ( -0.848 0.600 1.906) 2.171 9.354 ( 1.650 0.074 0.992) 1.927 9.422 ( 1.379 2.113 4.071) 4.790 ======================= Grid point 157 (78/105) ======================= q-point: (-0.11 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -3.734 -2.075 -18.298) 18.790 0.933 ( -7.773 2.480 -16.511) 18.417 1.093 ( -3.201 -0.151 -1.236) 3.434 1.701 ( -0.382 0.346 -7.896) 7.913 1.740 ( 0.737 -0.525 0.547) 1.057 1.839 ( -11.775 -0.062 -14.617) 18.770 1.934 ( -1.780 0.045 -2.431) 3.014 2.369 ( 2.096 -0.046 1.568) 2.618 2.507 ( -0.143 1.117 -0.806) 1.385 2.522 ( -2.282 -1.059 -0.776) 2.633 2.669 ( 2.175 0.008 -3.435) 4.066 2.870 ( 1.465 -0.033 -8.231) 8.361 3.174 ( 5.189 0.263 3.285) 6.147 3.214 ( 0.328 -0.254 4.058) 4.079 3.513 ( -2.482 -0.233 0.620) 2.568 3.705 ( 5.425 0.296 -0.481) 5.454 3.778 ( 0.200 0.308 3.447) 3.467 3.891 ( -6.462 -0.446 0.266) 6.483 4.672 ( 13.126 -0.808 -1.052) 13.192 4.804 ( -0.310 1.201 -0.325) 1.282 5.090 ( -12.557 -0.382 -2.562) 12.822 5.748 ( 1.110 0.028 -4.472) 4.608 6.034 ( 4.476 -0.849 3.340) 5.649 6.089 ( -3.082 1.331 3.170) 4.617 6.240 ( -0.208 -0.030 -0.772) 0.800 6.283 ( 0.083 -1.029 1.616) 1.917 6.322 ( -4.160 0.448 -1.416) 4.417 7.070 ( 7.829 0.564 2.665) 8.289 7.121 ( 3.390 -1.478 2.481) 4.453 7.199 ( -1.586 2.236 0.161) 2.746 7.252 ( -5.607 -0.829 0.087) 5.669 7.765 ( -5.431 -0.220 6.916) 8.796 7.969 ( 4.086 -1.591 -7.373) 8.578 8.040 ( -4.587 1.959 -8.266) 9.654 8.168 ( -3.783 -0.391 2.045) 4.318 8.520 ( 2.137 -0.209 0.481) 2.201 8.611 ( 0.553 0.066 -1.726) 1.813 8.794 ( 0.481 0.181 1.715) 1.790 9.223 ( 1.851 0.297 2.025) 2.759 9.232 ( 0.760 -0.725 2.107) 2.354 9.360 ( 2.020 0.414 -1.081) 2.328 9.488 ( 1.819 -0.106 3.359) 3.821 ======================= Grid point 166 (79/105) ======================= q-point: (-0.11 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 0.000 -0.000 -21.257) 21.257 0.591 ( 0.000 -0.000 -21.257) 21.257 1.041 ( 0.000 -0.000 -10.692) 10.692 1.273 ( 0.000 -0.000 -29.197) 29.197 1.751 ( -0.000 0.000 0.312) 0.312 1.751 ( -0.000 0.000 0.312) 0.312 1.955 ( -0.000 0.000 3.474) 3.474 2.392 ( 0.000 -0.000 -0.282) 0.282 2.499 ( 0.000 -0.000 -0.351) 0.351 2.499 ( 0.000 -0.000 -0.351) 0.351 2.635 ( 0.000 -0.000 -4.791) 4.791 2.812 ( 0.000 -0.000 -1.595) 1.595 3.254 ( -0.000 0.000 2.148) 2.148 3.254 ( -0.000 0.000 2.148) 2.148 3.512 ( -0.000 0.000 2.166) 2.166 3.764 ( 0.000 -0.000 -3.724) 3.724 3.802 ( -0.000 0.000 0.891) 0.891 3.802 ( -0.000 0.000 0.891) 0.891 4.795 ( 0.000 -0.000 -0.456) 0.456 4.795 ( 0.000 -0.000 -0.456) 0.456 4.911 ( 0.000 -0.000 -3.452) 3.452 5.682 ( 0.000 -0.000 -5.269) 5.269 6.118 ( -0.000 0.000 3.283) 3.283 6.118 ( -0.000 0.000 3.283) 3.283 6.217 ( 0.000 -0.000 -0.438) 0.438 6.325 ( -0.000 0.000 4.439) 4.439 6.325 ( -0.000 0.000 4.439) 4.439 7.119 ( 0.000 -0.000 -3.207) 3.207 7.187 ( -0.000 0.000 1.790) 1.790 7.187 ( -0.000 0.000 1.790) 1.790 7.263 ( -0.000 0.000 5.736) 5.736 7.778 ( -0.000 0.000 0.876) 0.876 7.880 ( 0.000 -0.000 -9.279) 9.279 7.880 ( 0.000 -0.000 -9.279) 9.279 8.199 ( -0.000 0.000 5.883) 5.883 8.498 ( 0.000 -0.000 -4.218) 4.218 8.644 ( -0.000 0.000 3.351) 3.351 8.828 ( -0.000 0.000 3.217) 3.217 9.264 ( -0.000 0.000 1.865) 1.865 9.264 ( -0.000 0.000 1.865) 1.865 9.349 ( 0.000 -0.000 -3.051) 3.051 9.543 ( -0.000 0.000 2.447) 2.447 ======================= Grid point 187 (80/105) ======================= q-point: ( 0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 0.025 0.001 0.027) 0.037 1.720 ( 4.224 5.193 0.596) 6.721 1.751 ( 0.570 0.408 0.180) 0.723 1.804 ( 6.142 4.811 2.219) 8.112 1.923 ( -2.671 0.488 -0.375) 2.741 2.025 ( 2.260 0.480 1.368) 2.685 2.156 ( -1.602 -3.351 2.693) 4.588 2.257 ( -2.427 -1.398 0.858) 2.929 2.352 ( -1.233 -0.033 -5.956) 6.083 2.442 ( -2.345 -3.108 -0.408) 3.915 2.645 ( -1.932 -2.227 0.191) 2.955 2.988 ( 2.234 0.632 2.794) 3.633 3.080 ( -0.818 1.927 0.802) 2.242 3.193 ( -1.500 -3.456 0.728) 3.837 3.447 ( 4.767 4.523 5.777) 8.750 3.567 ( -2.296 -1.841 0.359) 2.964 3.782 ( 0.297 -1.982 4.587) 5.005 3.862 ( -1.571 4.577 -5.105) 7.034 3.963 ( -1.259 -4.741 -2.192) 5.373 5.250 ( 3.217 3.376 -1.610) 4.933 5.415 ( -0.529 -1.205 -0.442) 1.389 5.687 ( -0.259 -0.129 -1.192) 1.226 5.793 ( -0.833 -0.593 -2.417) 2.625 6.025 ( -1.387 -0.549 2.064) 2.546 6.313 ( 1.787 1.290 -0.409) 2.242 6.393 ( -0.659 -0.241 -2.546) 2.641 6.484 ( -0.749 -1.245 -2.066) 2.526 6.856 ( 3.412 2.537 1.081) 4.387 6.926 ( -2.362 -1.714 -0.164) 2.923 7.099 ( -0.938 -0.703 -2.042) 2.355 7.817 ( 2.999 5.874 6.476) 9.243 7.948 ( 0.228 -0.617 1.779) 1.897 7.972 ( 3.654 -4.329 -3.192) 6.502 8.038 ( -6.311 -0.184 -3.372) 7.158 8.421 ( 1.515 1.743 1.728) 2.885 8.673 ( 5.149 6.177 2.954) 8.567 8.744 ( 3.332 2.579 1.506) 4.474 8.826 ( -4.008 -1.078 3.202) 5.242 8.870 ( -1.037 -6.429 -1.847) 6.769 9.098 ( 1.075 1.395 -3.107) 3.571 9.191 ( -5.241 -1.244 3.768) 6.574 9.255 ( 0.373 -2.200 -4.885) 5.371 ======================= Grid point 192 (81/105) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 5.334 -0.464 -0.000) 5.354 1.049 ( 15.657 -5.288 -0.000) 16.525 1.300 ( 14.378 1.310 -0.000) 14.437 1.747 ( 0.953 -0.283 -0.000) 0.994 1.794 ( -0.273 0.660 0.000) 0.715 1.918 ( 2.949 1.217 -0.000) 3.191 2.206 ( 5.730 -0.026 -0.000) 5.730 2.308 ( -2.158 1.387 0.000) 2.565 2.403 ( -1.635 -1.946 -0.000) 2.542 2.514 ( 10.672 4.088 -0.000) 11.428 2.667 ( -1.592 -1.340 0.000) 2.081 2.678 ( 1.813 -3.738 -0.000) 4.155 3.055 ( 1.261 -0.500 -0.000) 1.356 3.104 ( -8.173 3.822 0.000) 9.022 3.434 ( -1.320 3.142 0.000) 3.408 3.662 ( -7.523 -3.204 0.000) 8.177 3.759 ( 6.005 -2.803 -0.000) 6.627 3.996 ( -1.213 4.957 0.000) 5.103 4.337 ( -0.832 -0.640 0.000) 1.050 4.859 ( 1.852 -2.152 -0.000) 2.839 5.668 ( -1.145 0.298 0.000) 1.183 5.705 ( 10.262 1.496 -0.000) 10.371 6.092 ( 0.357 4.483 0.000) 4.497 6.294 ( 4.010 -5.238 -0.000) 6.597 6.363 ( 4.993 -1.365 -0.000) 5.176 6.508 ( 2.938 -1.280 -0.000) 3.205 6.554 ( 1.803 5.707 0.000) 5.985 6.699 ( -8.413 -8.217 0.000) 11.760 7.075 ( -3.457 7.275 0.000) 8.055 7.230 ( -2.621 -4.326 -0.000) 5.058 7.314 ( 2.965 -0.082 -0.000) 2.966 7.797 ( 1.607 -3.546 -0.000) 3.893 7.984 ( 1.088 1.657 0.000) 1.983 8.107 ( -3.994 -1.546 0.000) 4.283 8.343 ( -3.722 -0.607 0.000) 3.771 8.361 ( -0.762 1.848 0.000) 1.999 8.432 ( 15.363 -0.155 -0.000) 15.363 8.601 ( -4.053 3.826 0.000) 5.574 9.035 ( -7.877 2.467 0.000) 8.254 9.189 ( -0.097 -1.100 -0.000) 1.104 9.364 ( -2.429 -1.943 0.000) 3.110 9.511 ( -1.340 0.230 0.000) 1.360 ======================= Grid point 201 (82/105) ======================= q-point: (-0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 1.684 -0.077 -0.000) 1.686 1.356 ( 10.195 -10.696 -0.000) 14.777 1.500 ( 13.747 -1.201 -0.000) 13.800 1.739 ( -3.996 0.085 0.000) 3.997 1.791 ( 0.629 -1.703 -0.000) 1.816 1.922 ( 0.231 -0.291 -0.000) 0.372 2.186 ( -4.543 1.638 0.000) 4.829 2.246 ( -3.956 0.720 0.000) 4.021 2.424 ( -0.971 -2.705 -0.000) 2.874 2.633 ( 5.903 2.976 -0.000) 6.611 2.679 ( -3.322 -2.040 0.000) 3.898 2.726 ( 6.893 -0.173 -0.000) 6.896 2.935 ( -4.306 6.017 0.000) 7.399 3.147 ( 11.942 -0.833 -0.000) 11.971 3.393 ( -0.655 1.679 0.000) 1.802 3.606 ( -5.918 -2.810 0.000) 6.551 3.863 ( 4.199 4.435 0.000) 6.108 3.913 ( -0.903 -0.776 0.000) 1.191 4.261 ( 3.010 12.198 0.000) 12.563 4.992 ( 1.148 -11.642 -0.000) 11.699 5.626 ( -3.943 0.574 0.000) 3.985 5.806 ( 10.142 4.037 -0.000) 10.916 6.059 ( 1.904 2.091 0.000) 2.828 6.377 ( 4.093 1.193 -0.000) 4.264 6.455 ( -0.335 7.430 0.000) 7.438 6.517 ( 4.633 -7.650 -0.000) 8.943 6.584 ( 2.184 -3.755 -0.000) 4.344 6.696 ( -6.945 -6.749 0.000) 9.684 6.922 ( -1.439 8.577 0.000) 8.697 7.209 ( -3.207 -0.483 0.000) 3.243 7.420 ( 2.196 -6.939 -0.000) 7.278 7.839 ( -4.193 -2.644 0.000) 4.957 7.931 ( -2.174 2.001 0.000) 2.955 8.065 ( -4.257 -0.500 0.000) 4.286 8.264 ( -5.198 0.415 0.000) 5.215 8.414 ( 3.215 -3.726 -0.000) 4.921 8.513 ( -0.752 2.644 0.000) 2.749 8.660 ( 15.314 -0.957 -0.000) 15.344 8.892 ( -6.358 3.355 0.000) 7.189 9.182 ( -0.630 2.080 0.000) 2.173 9.353 ( -2.783 -2.084 0.000) 3.477 9.482 ( -2.031 0.655 0.000) 2.134 ======================= Grid point 202 (83/105) ======================= q-point: (-0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 1.806 -0.196 -0.061) 1.818 1.256 ( 11.867 -4.458 1.915) 12.821 1.527 ( 13.393 1.251 3.069) 13.797 1.734 ( -1.543 -0.049 -1.230) 1.974 1.769 ( -1.413 0.381 -0.935) 1.736 1.965 ( 0.221 1.210 4.605) 4.766 2.183 ( -5.322 1.914 -2.831) 6.324 2.275 ( -3.034 -0.578 2.051) 3.708 2.403 ( -0.930 -1.428 2.150) 2.743 2.637 ( -1.288 -3.734 1.434) 4.203 2.665 ( 0.101 0.404 0.593) 0.724 2.774 ( 11.530 3.341 3.384) 12.473 3.014 ( -3.811 2.703 1.860) 5.029 3.123 ( 9.236 -0.725 -2.023) 9.483 3.423 ( -1.002 2.033 0.963) 2.462 3.563 ( -6.347 -2.530 -0.732) 6.872 3.825 ( 3.621 -4.135 -0.855) 5.563 3.983 ( -1.246 5.015 0.570) 5.199 4.353 ( 4.294 -0.515 -0.934) 4.424 4.877 ( 1.853 -1.125 -1.251) 2.503 5.611 ( -3.535 0.762 -2.922) 4.649 5.824 ( 8.124 0.357 -2.157) 8.413 6.083 ( 2.722 3.521 -3.860) 5.892 6.329 ( 3.421 -5.567 -2.984) 7.183 6.423 ( 4.001 -3.249 -1.460) 5.357 6.499 ( -3.210 0.043 -1.254) 3.447 6.524 ( 1.779 2.350 -5.227) 6.001 6.660 ( -0.040 -1.098 2.572) 2.797 7.019 ( -2.356 6.468 -1.502) 7.046 7.206 ( -2.672 -2.854 1.636) 4.238 7.363 ( 0.584 -2.263 2.340) 3.307 7.802 ( -2.211 -1.512 1.089) 2.892 7.949 ( -3.333 1.831 -2.444) 4.521 8.100 ( -3.054 -1.133 5.889) 6.730 8.276 ( -5.353 -1.019 1.940) 5.784 8.396 ( 2.019 -0.821 1.716) 2.774 8.548 ( 1.872 2.875 -0.578) 3.479 8.701 ( 11.912 1.755 5.185) 13.109 8.927 ( -7.005 1.603 -0.283) 7.191 9.189 ( 0.298 -0.790 -0.214) 0.872 9.318 ( -2.321 -1.441 -1.627) 3.179 9.472 ( -2.325 0.093 -1.955) 3.039 ======================= Grid point 210 (84/105) ======================= q-point: (-0.44 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 0.728 0.683 -0.000) 0.999 1.552 ( 2.155 -2.718 -0.000) 3.468 1.631 ( -1.899 -3.030 -0.000) 3.576 1.720 ( 5.199 0.133 -0.000) 5.201 1.814 ( -2.051 -3.488 -0.000) 4.047 1.973 ( 3.829 -2.513 -0.000) 4.580 2.089 ( -4.651 1.773 0.000) 4.978 2.197 ( -2.597 -0.656 0.000) 2.679 2.438 ( -1.422 -1.435 -0.000) 2.020 2.575 ( -5.489 1.136 0.000) 5.605 2.677 ( -1.834 4.126 0.000) 4.515 2.718 ( 2.373 0.638 -0.000) 2.457 2.972 ( 10.074 -0.642 -0.000) 10.094 3.315 ( 3.410 4.272 0.000) 5.466 3.384 ( 8.097 -1.728 -0.000) 8.279 3.586 ( -3.899 -4.799 -0.000) 6.184 3.741 ( -2.647 9.549 0.000) 9.909 3.992 ( 0.942 -4.625 -0.000) 4.720 4.137 ( 9.128 15.989 0.000) 18.411 5.144 ( -1.146 -8.299 -0.000) 8.378 5.561 ( -4.714 -1.118 0.000) 4.845 5.871 ( 9.386 6.193 -0.000) 11.245 6.096 ( 4.107 -1.736 -0.000) 4.459 6.331 ( -1.385 7.778 0.000) 7.901 6.396 ( 1.846 2.516 0.000) 3.121 6.537 ( -3.433 0.628 0.000) 3.490 6.681 ( -5.100 -3.185 0.000) 6.013 6.781 ( 5.893 -10.571 -0.000) 12.103 6.837 ( 1.958 4.570 0.000) 4.972 7.170 ( -3.999 -1.075 0.000) 4.141 7.517 ( -0.142 -3.321 -0.000) 3.324 7.761 ( -6.690 -0.839 0.000) 6.742 7.912 ( -1.756 -2.344 -0.000) 2.929 8.020 ( -1.975 0.338 0.000) 2.004 8.198 ( -4.212 -0.666 0.000) 4.264 8.445 ( -3.536 -2.009 0.000) 4.067 8.588 ( 6.961 -4.986 -0.000) 8.562 8.730 ( -1.789 5.068 0.000) 5.374 8.903 ( 9.668 -1.836 -0.000) 9.841 9.108 ( -1.109 6.559 0.000) 6.652 9.352 ( -2.006 -2.182 -0.000) 2.964 9.443 ( -2.425 0.046 0.000) 2.425 ======================= Grid point 211 (85/105) ======================= q-point: (-0.33 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 0.993 0.268 -0.376) 1.095 1.475 ( 6.232 -7.321 0.738) 9.642 1.633 ( -0.338 2.040 -0.274) 2.085 1.709 ( 3.330 -1.182 -0.484) 3.567 1.790 ( 1.494 -1.720 1.096) 2.528 1.966 ( 1.014 -1.223 3.418) 3.769 2.080 ( -5.022 2.343 -4.044) 6.860 2.232 ( -3.359 -0.073 3.995) 5.220 2.414 ( -1.194 -1.966 0.716) 2.409 2.599 ( -5.468 0.339 1.628) 5.715 2.687 ( 1.479 -1.273 1.293) 2.341 2.789 ( -2.402 3.983 2.857) 5.459 3.001 ( 9.677 3.145 2.044) 10.378 3.319 ( 13.620 -2.683 -1.919) 14.014 3.390 ( 0.008 2.905 0.189) 2.911 3.520 ( -5.950 -3.981 -0.312) 7.165 3.867 ( -3.249 7.274 0.903) 8.018 3.921 ( 0.779 -4.837 -0.949) 4.990 4.345 ( 10.287 14.138 -0.981) 17.512 4.998 ( 1.264 -10.464 -1.622) 10.665 5.537 ( -5.899 0.211 -2.677) 6.481 5.913 ( 7.937 2.363 -3.253) 8.898 6.084 ( 3.574 1.870 -1.418) 4.276 6.383 ( -4.016 3.035 -3.243) 5.988 6.421 ( 1.895 1.341 -2.670) 3.538 6.511 ( -1.497 0.443 -5.391) 5.613 6.576 ( 4.151 -5.590 -2.316) 7.337 6.699 ( 2.005 -4.169 2.958) 5.491 6.914 ( 0.537 6.355 -0.177) 6.380 7.176 ( -3.757 -0.263 1.989) 4.259 7.440 ( -0.529 -7.115 0.375) 7.144 7.742 ( -8.331 -0.738 -0.965) 8.419 7.900 ( -0.985 0.303 -0.418) 1.112 8.064 ( -2.779 -0.213 6.159) 6.760 8.219 ( -4.832 -0.580 3.372) 5.921 8.419 ( -2.090 -2.169 1.157) 3.226 8.563 ( 5.538 0.232 0.551) 5.570 8.794 ( -1.107 3.638 -0.046) 3.803 8.902 ( 9.937 -0.820 2.824) 10.364 9.177 ( -0.362 2.862 0.524) 2.932 9.309 ( -1.987 -2.090 -1.561) 3.279 9.431 ( -3.231 0.188 -1.847) 3.726 ======================= Grid point 212 (86/105) ======================= q-point: (-0.22 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 0.929 0.006 -0.383) 1.005 1.411 ( 7.304 -3.734 1.506) 8.341 1.629 ( -0.092 1.455 -4.252) 4.495 1.702 ( -0.961 0.802 -0.145) 1.260 1.798 ( 4.643 -1.038 3.337) 5.811 1.995 ( -5.086 2.143 -2.004) 5.871 2.082 ( -1.615 1.960 1.216) 2.816 2.257 ( -3.238 -2.532 2.218) 4.671 2.431 ( -0.366 -0.385 3.433) 3.474 2.626 ( -4.189 0.303 1.789) 4.565 2.704 ( 2.061 -1.527 5.030) 5.647 2.883 ( -1.503 1.915 4.576) 5.183 3.087 ( 7.350 4.042 1.298) 8.488 3.237 ( 9.687 -4.598 -1.219) 10.792 3.425 ( -2.077 1.353 -0.640) 2.560 3.486 ( -0.870 0.897 0.081) 1.253 3.823 ( -0.579 -5.600 -2.243) 6.060 3.963 ( -3.334 4.604 0.393) 5.698 4.435 ( 10.827 -0.561 -2.326) 11.088 4.875 ( 1.593 -0.421 -2.388) 2.901 5.499 ( -6.050 0.901 -3.787) 7.194 5.868 ( 6.684 0.823 -5.645) 8.787 6.068 ( 4.421 0.362 -5.755) 7.266 6.298 ( -0.729 -2.698 -5.084) 5.801 6.360 ( -3.925 -3.530 -2.630) 5.898 6.440 ( 0.516 2.865 -7.314) 7.872 6.557 ( 5.367 -1.757 2.803) 6.304 6.722 ( 2.593 2.208 2.342) 4.133 6.983 ( -0.532 3.988 -0.828) 4.108 7.184 ( -1.993 -1.626 -0.490) 2.619 7.382 ( -3.006 -2.843 3.232) 5.250 7.730 ( -9.658 0.936 -0.628) 9.724 7.911 ( 1.217 0.712 1.116) 1.798 8.152 ( -2.594 -0.543 6.873) 7.366 8.248 ( -4.221 -1.709 2.899) 5.399 8.434 ( -1.033 0.133 2.638) 2.836 8.588 ( 3.740 1.995 0.777) 4.310 8.822 ( -2.716 0.854 -0.498) 2.891 8.951 ( 9.717 0.401 4.421) 10.683 9.194 ( 1.142 -0.672 -0.346) 1.370 9.268 ( -1.724 -0.689 -1.379) 2.313 9.406 ( -2.989 0.129 -1.908) 3.549 ======================= Grid point 218 (87/105) ======================= q-point: ( 0.44 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 0.468 1.162 0.000) 1.253 1.458 ( -7.163 5.931 0.000) 9.300 1.675 ( 0.217 0.880 0.000) 0.907 1.729 ( -0.720 -0.064 0.000) 0.723 1.826 ( -2.588 0.594 0.000) 2.655 1.980 ( -1.630 0.642 0.000) 1.751 2.114 ( 2.144 -4.712 -0.000) 5.177 2.217 ( 1.577 -3.575 -0.000) 3.907 2.413 ( -4.916 -0.923 0.000) 5.002 2.516 ( 0.509 0.693 0.000) 0.860 2.615 ( 0.577 1.030 0.000) 1.181 2.803 ( 4.364 -3.293 -0.000) 5.467 3.096 ( 7.806 1.562 -0.000) 7.961 3.191 ( -4.911 9.485 0.000) 10.681 3.464 ( -0.908 0.564 0.000) 1.069 3.578 ( -2.827 5.325 0.000) 6.029 3.683 ( 5.998 -4.586 -0.000) 7.550 4.017 ( 0.884 1.293 0.000) 1.567 4.137 ( 13.471 7.627 -0.000) 15.480 5.133 ( -8.853 -0.312 0.000) 8.858 5.567 ( -0.985 -5.138 -0.000) 5.231 5.882 ( 6.775 8.599 0.000) 10.947 6.198 ( 3.592 0.859 -0.000) 3.694 6.241 ( 3.593 1.065 -0.000) 3.748 6.361 ( -1.866 2.235 0.000) 2.912 6.466 ( -2.147 2.542 0.000) 3.327 6.651 ( -3.908 -0.445 0.000) 3.934 6.803 ( -1.051 2.768 0.000) 2.961 6.977 ( 4.693 -7.256 -0.000) 8.641 7.132 ( -3.662 -1.326 0.000) 3.894 7.470 ( -5.417 2.193 0.000) 5.844 7.751 ( -2.354 -4.825 -0.000) 5.368 7.944 ( 0.174 -3.914 -0.000) 3.918 8.008 ( 0.279 -0.186 -0.000) 0.336 8.184 ( -1.863 -3.710 -0.000) 4.151 8.413 ( -3.094 -0.071 0.000) 3.094 8.641 ( -1.632 2.779 0.000) 3.223 8.768 ( 5.077 -7.703 -0.000) 9.225 8.915 ( -2.509 10.054 0.000) 10.362 9.090 ( 7.103 0.189 -0.000) 7.106 9.337 ( -2.472 -0.303 0.000) 2.491 9.441 ( -0.416 -2.616 -0.000) 2.649 ======================= Grid point 219 (88/105) ======================= q-point: ( 0.56 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 0.629 0.817 -0.309) 1.076 1.524 ( -3.944 4.209 -0.610) 5.800 1.623 ( 0.388 -5.417 0.421) 5.448 1.749 ( -1.337 -0.658 -1.079) 1.840 1.842 ( 2.853 1.304 2.416) 3.960 1.992 ( -2.745 0.937 -2.685) 3.953 2.038 ( 2.073 -4.719 0.812) 5.218 2.206 ( -1.057 -0.877 2.455) 2.814 2.405 ( -2.462 -0.250 0.771) 2.592 2.548 ( -2.503 -1.909 3.857) 4.979 2.659 ( -1.237 4.201 2.412) 5.000 2.773 ( 2.031 -3.130 2.515) 4.499 3.110 ( 9.625 1.831 -0.358) 9.804 3.309 ( -2.280 7.025 0.127) 7.387 3.457 ( -0.438 -1.141 -0.497) 1.319 3.578 ( 4.832 -5.164 -2.323) 7.444 3.703 ( -2.930 7.514 1.826) 8.269 3.982 ( -1.499 -4.640 -0.553) 4.907 4.307 ( 15.053 15.596 -0.995) 21.699 5.096 ( -4.559 -3.899 -1.740) 6.246 5.485 ( -3.713 -4.344 -2.058) 6.074 5.965 ( 6.565 5.593 -3.218) 9.206 6.140 ( 4.211 -2.303 -2.358) 5.347 6.271 ( -2.066 4.778 -4.159) 6.663 6.393 ( -2.096 2.667 -1.125) 3.573 6.488 ( 1.763 3.104 -3.379) 4.915 6.621 ( -2.813 -2.241 -1.223) 3.799 6.834 ( 1.063 0.668 -0.719) 1.447 6.877 ( 5.379 -3.599 0.213) 6.476 7.133 ( -3.633 -1.244 2.240) 4.446 7.473 ( -4.730 -0.553 -1.771) 5.081 7.678 ( -5.396 -6.901 0.547) 8.777 7.905 ( 0.192 -1.317 0.560) 1.444 8.042 ( -0.263 0.255 4.809) 4.823 8.173 ( -3.403 -1.859 3.648) 5.325 8.411 ( -3.302 -2.458 2.230) 4.682 8.656 ( 3.062 -0.973 -1.102) 3.396 8.731 ( 1.714 2.052 1.238) 2.947 9.019 ( 3.170 2.371 2.506) 4.685 9.123 ( 3.595 4.323 0.614) 5.656 9.312 ( -1.850 -1.107 -2.079) 2.995 9.397 ( -2.294 -2.064 -1.308) 3.352 ======================= Grid point 221 (89/105) ======================= q-point: (-0.33 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 0.688 0.382 -0.599) 0.989 1.534 ( 1.371 -2.308 -0.511) 2.733 1.583 ( -2.241 0.189 -1.190) 2.544 1.702 ( -0.215 -1.406 -2.220) 2.636 1.873 ( 1.412 -0.937 -1.026) 1.981 1.918 ( -1.410 -1.320 -2.630) 3.263 2.046 ( -2.094 0.249 2.208) 3.053 2.245 ( -0.585 0.502 3.121) 3.215 2.436 ( 0.260 -0.030 3.770) 3.779 2.559 ( -4.424 -1.111 1.930) 4.953 2.758 ( 2.233 -0.594 5.623) 6.080 2.816 ( -2.522 1.608 7.016) 7.626 3.145 ( 8.407 3.514 -0.360) 9.119 3.346 ( -2.792 0.518 -3.485) 4.495 3.460 ( 5.840 -0.646 0.169) 5.878 3.472 ( 2.311 -2.219 -0.951) 3.342 3.820 ( -5.229 6.092 -0.387) 8.038 3.893 ( -1.306 -5.620 -0.809) 5.827 4.494 ( 13.826 14.043 -2.295) 19.841 4.979 ( 0.073 -8.114 -2.857) 8.603 5.405 ( -6.909 -1.658 -3.473) 7.909 5.940 ( 6.639 1.969 -6.657) 9.605 6.106 ( 2.624 0.934 -2.366) 3.654 6.250 ( -4.792 1.418 -5.723) 7.598 6.380 ( -0.985 0.471 -4.252) 4.390 6.413 ( 0.335 -1.562 -6.724) 6.911 6.640 ( 4.119 4.190 1.250) 6.007 6.765 ( 4.453 -4.813 0.176) 6.559 6.931 ( 1.030 4.097 1.498) 4.482 7.150 ( -3.319 0.003 1.096) 3.496 7.412 ( -4.061 -6.295 0.786) 7.533 7.596 ( -9.477 -2.627 -1.863) 10.009 7.929 ( 2.630 0.885 2.865) 3.989 8.123 ( -1.824 -0.156 6.137) 6.404 8.211 ( -3.854 -1.025 3.904) 5.581 8.412 ( -3.466 -2.512 3.528) 5.547 8.639 ( 4.724 0.146 -0.209) 4.731 8.780 ( 0.490 2.926 -0.338) 2.986 9.073 ( 6.865 0.335 3.402) 7.669 9.194 ( 1.332 3.184 1.343) 3.703 9.261 ( -0.954 -1.769 -2.122) 2.923 9.361 ( -3.515 -0.484 -1.164) 3.734 ======================= Grid point 222 (90/105) ======================= q-point: (-0.22 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 0.585 0.026 -0.547) 0.801 1.478 ( 2.208 -2.812 -3.532) 5.026 1.531 ( -2.067 1.445 -6.328) 6.812 1.680 ( -1.177 -0.314 -0.192) 1.233 1.815 ( -2.985 1.886 -5.407) 6.458 1.906 ( -2.441 -0.157 0.825) 2.581 2.095 ( -1.604 0.722 3.806) 4.193 2.286 ( 0.980 -0.912 3.237) 3.503 2.475 ( 0.537 -1.104 2.571) 2.849 2.581 ( -4.680 0.971 0.901) 4.864 2.842 ( 4.001 0.054 8.128) 9.059 2.941 ( -1.429 0.429 7.636) 7.781 3.153 ( 5.130 1.715 -5.473) 7.695 3.246 ( -1.734 -3.844 -7.564) 8.660 3.425 ( 4.725 1.576 2.427) 5.541 3.538 ( 2.757 2.656 2.547) 4.598 3.754 ( -3.628 -4.885 -3.403) 6.972 3.916 ( -3.991 2.571 1.116) 4.877 4.572 ( 14.074 -0.508 -3.080) 14.416 4.858 ( 1.065 -0.103 -2.726) 2.928 5.350 ( -8.378 0.669 -3.618) 9.150 5.873 ( 6.162 1.191 -6.213) 8.831 6.046 ( 4.019 -2.625 -5.871) 7.583 6.185 ( -5.223 1.367 -3.682) 6.535 6.307 ( 0.243 -2.400 -2.696) 3.618 6.344 ( -0.310 1.970 -5.913) 6.240 6.635 ( 1.122 -2.062 -3.382) 4.117 6.792 ( 5.252 1.950 3.800) 6.770 6.990 ( 1.212 1.735 1.426) 2.553 7.150 ( -1.193 -0.172 -0.593) 1.343 7.379 ( -4.748 -2.074 4.182) 6.658 7.568 ( -11.523 0.643 -0.167) 11.542 7.984 ( 3.840 0.353 3.053) 4.918 8.194 ( -2.227 1.170 3.363) 4.200 8.229 ( -3.317 -2.173 2.024) 4.453 8.442 ( -2.977 0.090 2.787) 4.079 8.652 ( 3.572 1.545 0.379) 3.911 8.787 ( 0.120 -0.509 -1.318) 1.417 9.117 ( 6.094 0.343 2.272) 6.513 9.207 ( 1.120 -2.367 -1.204) 2.882 9.252 ( 1.038 2.006 1.838) 2.911 9.358 ( -2.799 -0.274 1.192) 3.054 ======================= Grid point 227 (91/105) ======================= q-point: ( 0.33 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 0.377 1.933 0.000) 1.969 1.247 ( -5.145 11.547 0.000) 12.641 1.534 ( -2.826 13.669 0.000) 13.958 1.745 ( -0.759 -1.644 -0.000) 1.810 1.795 ( -1.334 -0.976 0.000) 1.653 1.953 ( -2.123 -0.198 0.000) 2.132 2.196 ( 0.703 -3.796 -0.000) 3.861 2.290 ( -0.168 -3.742 -0.000) 3.746 2.369 ( -1.243 -0.755 0.000) 1.454 2.567 ( 4.219 -1.734 -0.000) 4.562 2.642 ( 2.362 -0.864 -0.000) 2.515 2.813 ( -4.176 11.203 0.000) 11.956 3.019 ( -0.367 0.318 0.000) 0.485 3.119 ( 2.442 4.997 0.000) 5.561 3.445 ( -2.098 -2.218 -0.000) 3.053 3.547 ( 0.514 -2.988 -0.000) 3.032 3.776 ( 4.211 2.066 -0.000) 4.691 4.022 ( -0.922 -1.081 -0.000) 1.421 4.246 ( 13.113 3.780 -0.000) 13.647 4.968 ( -10.942 2.167 0.000) 11.154 5.633 ( 0.116 -4.177 -0.000) 4.178 5.824 ( 3.046 9.458 0.000) 9.936 6.160 ( -0.676 3.143 0.000) 3.215 6.288 ( 0.710 2.587 0.000) 2.683 6.395 ( 6.565 3.385 -0.000) 7.387 6.450 ( 2.256 -6.947 -0.000) 7.305 6.577 ( -2.784 3.766 0.000) 4.683 6.710 ( -5.904 3.319 0.000) 6.773 7.099 ( 0.503 -1.752 -0.000) 1.822 7.127 ( 0.593 -4.770 -0.000) 4.807 7.375 ( -4.291 1.443 0.000) 4.527 7.776 ( -0.344 -1.623 -0.000) 1.659 8.012 ( -1.126 -0.303 0.000) 1.166 8.019 ( 1.773 -4.781 -0.000) 5.099 8.250 ( 0.791 -6.426 -0.000) 6.474 8.373 ( -0.040 2.254 0.000) 2.254 8.602 ( -2.950 -1.155 0.000) 3.168 8.694 ( -3.492 14.664 0.000) 15.074 8.929 ( 1.600 -8.601 -0.000) 8.748 9.164 ( 3.296 0.085 -0.000) 3.297 9.323 ( -0.438 -1.391 -0.000) 1.459 9.481 ( 0.537 -2.520 -0.000) 2.576 ======================= Grid point 228 (92/105) ======================= q-point: ( 0.44 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 0.433 1.162 -0.154) 1.249 1.389 ( -2.665 8.161 0.493) 8.599 1.675 ( -0.514 0.315 -0.400) 0.723 1.727 ( -1.954 1.255 1.522) 2.777 1.776 ( -1.386 3.242 -1.701) 3.915 1.981 ( -1.137 -0.607 3.400) 3.636 2.129 ( -0.067 -5.590 -0.714) 5.636 2.223 ( 0.106 -2.651 -1.335) 2.970 2.384 ( -0.893 -0.879 3.191) 3.429 2.572 ( 1.855 -1.780 3.957) 4.719 2.635 ( 1.431 -0.335 1.403) 2.032 2.851 ( 0.728 -3.641 1.878) 4.161 3.130 ( -5.301 10.357 1.603) 11.745 3.186 ( 6.730 5.306 -1.830) 8.763 3.444 ( -2.046 0.029 0.771) 2.187 3.522 ( -3.181 1.652 -1.047) 3.735 3.767 ( 5.876 -2.228 -0.668) 6.320 4.006 ( -2.070 -2.398 0.063) 3.168 4.336 ( 14.517 10.602 -1.093) 18.010 4.987 ( -10.051 1.899 -1.544) 10.345 5.546 ( -0.325 -6.401 -1.934) 6.695 5.926 ( 1.959 8.036 -3.005) 8.800 6.164 ( -0.660 3.974 -6.123) 7.329 6.292 ( 3.719 -3.520 -1.126) 5.244 6.346 ( 2.640 0.622 -2.372) 3.603 6.471 ( 3.412 4.349 -0.469) 5.548 6.592 ( -3.873 0.050 -2.392) 4.552 6.751 ( -4.472 4.117 -0.024) 6.079 7.027 ( 2.286 -3.899 -2.067) 4.969 7.123 ( -0.050 -2.805 3.945) 4.841 7.388 ( -4.342 0.851 -0.780) 4.493 7.741 ( -1.420 -6.669 1.493) 6.980 7.928 ( -0.916 -2.537 -1.541) 3.107 8.054 ( 1.083 -1.224 5.162) 5.414 8.194 ( -0.274 -4.815 3.173) 5.772 8.403 ( -0.945 -0.692 2.395) 2.666 8.614 ( -1.925 3.366 -0.239) 3.885 8.822 ( 2.243 -5.289 -0.285) 5.752 8.906 ( -1.590 10.642 3.375) 11.277 9.169 ( 3.548 0.441 0.438) 3.602 9.293 ( -1.139 -0.621 -2.145) 2.507 9.429 ( 0.078 -3.553 -1.364) 3.807 ======================= Grid point 229 (93/105) ======================= q-point: (-0.44 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 0.390 0.698 -0.532) 0.960 1.480 ( -0.970 5.035 -0.320) 5.137 1.616 ( -1.164 -3.807 -1.847) 4.388 1.703 ( -1.341 -0.960 -2.315) 2.843 1.859 ( -0.398 3.055 -0.748) 3.171 1.960 ( -1.979 -4.325 -1.486) 4.984 2.052 ( 0.087 -4.017 1.190) 4.190 2.227 ( 0.783 1.860 2.728) 3.394 2.429 ( 0.097 0.745 3.464) 3.545 2.567 ( -1.103 -4.800 2.540) 5.542 2.726 ( -0.023 3.205 7.987) 8.606 2.845 ( 0.969 -3.489 5.315) 6.431 3.211 ( 7.687 4.329 -3.123) 9.359 3.256 ( -4.033 4.503 -0.921) 6.115 3.436 ( -1.656 0.632 0.456) 1.830 3.564 ( -2.195 2.413 -0.910) 3.387 3.728 ( 4.018 -0.008 -1.385) 4.250 3.947 ( -2.312 -5.405 -0.426) 5.894 4.488 ( 14.002 14.327 -2.406) 20.177 4.974 ( -7.969 0.477 -2.875) 8.485 5.413 ( -1.808 -7.729 -3.084) 8.515 5.958 ( 2.087 5.877 -6.197) 8.792 6.111 ( 1.274 2.448 -7.066) 7.586 6.219 ( 0.528 -3.224 -1.657) 3.663 6.335 ( -0.068 2.427 -3.836) 4.540 6.453 ( 0.359 -1.375 -6.776) 6.924 6.601 ( 1.626 5.242 1.160) 5.610 6.813 ( -2.863 2.758 0.049) 3.976 6.964 ( 4.638 -2.435 0.690) 5.284 7.130 ( -0.911 -2.462 2.257) 3.462 7.379 ( -5.485 -1.046 0.030) 5.584 7.613 ( -3.223 -10.607 -1.493) 11.186 7.938 ( 0.755 1.833 2.862) 3.482 8.120 ( 0.660 -0.762 5.849) 5.935 8.192 ( -1.766 -2.925 3.963) 5.233 8.415 ( -2.218 -3.428 3.663) 5.485 8.662 ( -0.299 2.819 -0.001) 2.834 8.776 ( 3.021 0.001 -0.618) 3.083 9.073 ( 0.024 6.264 3.636) 7.243 9.192 ( 3.073 1.788 0.433) 3.582 9.259 ( -1.029 0.156 -1.578) 1.890 9.359 ( -0.754 -3.825 -1.013) 4.028 ======================= Grid point 230 (94/105) ======================= q-point: (-0.33 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 0.401 0.386 -0.597) 0.817 1.488 ( -0.885 0.984 -6.081) 6.223 1.524 ( -2.001 -3.030 -6.081) 7.082 1.676 ( 0.596 1.367 -0.829) 1.706 1.794 ( -0.248 -2.593 -4.082) 4.842 1.883 ( -4.874 -4.164 -1.164) 6.515 2.083 ( 1.145 0.717 4.755) 4.943 2.297 ( 0.842 1.349 2.710) 3.142 2.487 ( -0.120 1.248 2.313) 2.631 2.536 ( -1.972 -3.270 1.541) 4.118 2.886 ( 1.239 1.814 8.846) 9.114 2.912 ( 0.281 -0.561 9.110) 9.132 3.172 ( -0.934 -2.139 -6.354) 6.769 3.248 ( 3.147 5.553 -8.340) 10.502 3.494 ( 1.004 1.669 1.060) 2.217 3.545 ( 3.765 -0.917 2.382) 4.549 3.712 ( -5.259 -0.448 -2.860) 6.003 3.887 ( -0.825 -2.676 1.146) 3.026 4.642 ( 12.761 13.088 -3.047) 18.532 4.918 ( -3.106 -2.916 -3.105) 5.272 5.268 ( -5.593 -6.122 -3.555) 9.022 5.924 ( 4.392 3.028 -7.037) 8.830 6.074 ( -0.860 3.043 -4.014) 5.110 6.139 ( -1.201 -3.619 -3.988) 5.518 6.310 ( 0.225 2.066 -4.087) 4.586 6.344 ( 0.640 -1.152 -4.818) 4.995 6.633 ( -0.796 0.450 -6.577) 6.640 6.854 ( 4.993 4.206 3.571) 7.442 6.996 ( 2.634 0.520 3.705) 4.575 7.122 ( -2.094 -1.309 0.942) 2.643 7.372 ( -6.139 -4.084 3.832) 8.310 7.464 ( -5.109 -6.225 -1.445) 8.181 8.017 ( 2.667 2.476 3.314) 4.922 8.166 ( 0.354 -0.527 2.126) 2.219 8.214 ( -2.931 -1.412 2.764) 4.269 8.416 ( -3.190 -3.329 3.848) 6.005 8.679 ( 1.370 0.240 -0.129) 1.397 8.791 ( 2.525 3.084 -1.594) 4.293 9.162 ( 2.566 1.830 1.009) 3.310 9.202 ( -0.687 1.426 -1.379) 2.099 9.285 ( 2.818 0.037 3.632) 4.597 9.320 ( -2.625 -1.053 1.762) 3.332 ======================= Grid point 231 (95/105) ======================= q-point: (-0.22 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 0.567 -0.007 -0.328) 0.655 1.347 ( -1.153 -0.792 -13.395) 13.468 1.375 ( -4.763 0.746 -12.162) 13.083 1.697 ( 2.714 -0.669 1.152) 3.023 1.745 ( -0.376 1.039 -1.256) 1.673 1.847 ( -6.432 -0.333 1.097) 6.533 2.149 ( 0.084 0.201 2.729) 2.737 2.327 ( 0.532 -0.172 1.122) 1.254 2.508 ( 0.377 -0.489 0.926) 1.113 2.533 ( -3.057 0.475 0.181) 3.099 2.966 ( 2.238 0.071 -7.806) 8.121 3.041 ( 0.168 2.469 6.201) 6.676 3.050 ( -1.084 -2.580 2.789) 3.951 3.148 ( 3.699 -0.216 -10.842) 11.458 3.506 ( 1.772 0.756 0.315) 1.952 3.622 ( 2.510 0.503 5.011) 5.628 3.676 ( -4.024 -1.270 2.338) 4.824 3.887 ( -2.413 0.267 0.273) 2.443 4.721 ( 13.079 -0.223 -2.736) 13.364 4.834 ( 0.370 0.078 -2.204) 2.236 5.176 ( -9.879 0.163 -3.582) 10.510 5.865 ( 3.909 0.351 -5.357) 6.641 6.029 ( 2.693 -2.322 -3.051) 4.685 6.078 ( -4.036 2.132 -2.348) 5.133 6.280 ( 1.522 -0.470 -2.577) 3.030 6.294 ( 0.590 0.283 -2.271) 2.363 6.501 ( -4.174 -0.172 -9.814) 10.666 6.963 ( 8.464 -0.589 5.039) 9.868 7.047 ( 2.477 1.042 2.865) 3.928 7.136 ( -2.892 0.196 2.082) 3.569 7.335 ( -4.504 -0.386 -2.577) 5.203 7.481 ( -7.966 -0.129 9.390) 12.314 8.064 ( 3.589 -0.247 0.651) 3.656 8.181 ( -0.926 2.187 -1.653) 2.894 8.200 ( -2.915 -1.959 -1.039) 3.663 8.442 ( -2.434 -0.114 3.638) 4.379 8.674 ( 0.445 0.374 -1.193) 1.328 8.793 ( 2.851 -0.160 -1.380) 3.172 9.180 ( 1.945 0.794 0.578) 2.179 9.197 ( -0.275 -1.144 0.003) 1.176 9.328 ( 1.953 0.642 2.757) 3.439 9.374 ( -0.325 -0.348 4.910) 4.933 ======================= Grid point 240 (96/105) ======================= q-point: (-0.22 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -0.000 0.000 0.350) 0.350 1.124 ( 0.000 -0.000 -17.623) 17.623 1.124 ( 0.000 -0.000 -17.623) 17.623 1.741 ( -0.000 0.000 0.253) 0.253 1.741 ( -0.000 0.000 0.253) 0.253 1.813 ( -0.000 0.000 2.207) 2.207 2.086 ( 0.000 -0.000 -12.787) 12.787 2.356 ( -0.000 0.000 2.531) 2.531 2.511 ( 0.000 -0.000 -0.317) 0.317 2.511 ( 0.000 -0.000 -0.317) 0.317 2.783 ( 0.000 -0.000 -11.951) 11.951 3.016 ( 0.000 -0.000 -11.212) 11.212 3.147 ( -0.000 0.000 6.261) 6.261 3.147 ( -0.000 0.000 6.261) 6.261 3.494 ( 0.000 -0.000 -1.079) 1.079 3.720 ( -0.000 0.000 5.372) 5.372 3.720 ( -0.000 0.000 5.372) 5.372 3.849 ( 0.000 -0.000 -2.242) 2.242 4.813 ( 0.000 -0.000 -1.196) 1.196 4.813 ( 0.000 -0.000 -1.196) 1.196 5.024 ( 0.000 -0.000 -4.472) 4.472 5.825 ( 0.000 -0.000 -4.872) 4.872 6.035 ( -0.000 0.000 0.777) 0.777 6.035 ( -0.000 0.000 0.777) 0.777 6.280 ( 0.000 -0.000 -0.536) 0.536 6.280 ( 0.000 -0.000 -0.536) 0.536 6.327 ( 0.000 -0.000 -8.598) 8.598 7.116 ( -0.000 0.000 3.317) 3.317 7.116 ( -0.000 0.000 3.317) 3.317 7.119 ( -0.000 0.000 3.661) 3.661 7.242 ( 0.000 -0.000 -4.468) 4.468 7.582 ( -0.000 0.000 12.329) 12.329 8.106 ( -0.000 0.000 0.858) 0.858 8.116 ( 0.000 -0.000 -6.538) 6.538 8.116 ( 0.000 -0.000 -6.538) 6.538 8.486 ( -0.000 0.000 4.660) 4.660 8.646 ( 0.000 -0.000 -2.897) 2.897 8.801 ( 0.000 -0.000 -0.637) 0.637 9.208 ( -0.000 0.000 1.720) 1.720 9.208 ( -0.000 0.000 1.720) 1.720 9.366 ( -0.000 0.000 1.586) 1.586 9.448 ( -0.000 0.000 4.691) 4.691 ======================= Grid point 286 (97/105) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 1.207 -0.217 -0.000) 1.227 1.389 ( 8.854 -3.503 -0.000) 9.521 1.670 ( 4.825 2.722 -0.000) 5.540 1.691 ( 0.242 -0.929 -0.000) 0.960 1.786 ( 1.110 0.230 -0.000) 1.133 1.931 ( 0.954 0.908 -0.000) 1.317 2.134 ( -5.291 0.547 0.000) 5.319 2.218 ( -3.074 2.189 0.000) 3.774 2.369 ( -1.256 -2.671 -0.000) 2.951 2.579 ( -5.171 -1.756 0.000) 5.461 2.648 ( -0.127 -2.089 -0.000) 2.093 2.824 ( -3.185 2.769 0.000) 4.220 3.044 ( 10.684 5.042 -0.000) 11.814 3.284 ( 10.122 -5.077 -0.000) 11.324 3.417 ( 0.635 1.500 0.000) 1.629 3.498 ( -2.621 0.737 0.000) 2.723 3.846 ( -1.490 -5.025 -0.000) 5.242 3.958 ( -2.184 4.719 0.000) 5.200 4.468 ( 11.292 -0.300 -0.000) 11.296 4.914 ( 2.016 -0.612 -0.000) 2.107 5.557 ( -6.794 0.157 0.000) 6.796 5.958 ( 8.317 0.452 -0.000) 8.329 6.142 ( 2.686 4.858 0.000) 5.551 6.390 ( -7.739 -3.126 0.000) 8.347 6.411 ( 3.513 -6.499 -0.000) 7.388 6.517 ( 4.777 -1.844 -0.000) 5.120 6.603 ( 1.950 -2.828 -0.000) 3.435 6.663 ( 3.306 7.384 0.000) 8.090 7.004 ( -1.315 6.151 0.000) 6.290 7.131 ( -4.562 -3.968 0.000) 6.046 7.370 ( 1.116 -1.680 -0.000) 2.017 7.732 ( -6.912 -1.108 0.000) 7.001 7.931 ( -2.996 1.707 0.000) 3.449 8.012 ( -1.654 0.082 0.000) 1.656 8.180 ( -5.556 -1.316 0.000) 5.710 8.387 ( -1.832 -0.895 0.000) 2.039 8.583 ( 4.511 2.469 -0.000) 5.142 8.835 ( -1.380 1.572 0.000) 2.092 8.869 ( 9.727 -0.482 -0.000) 9.739 9.191 ( 0.183 -0.278 -0.000) 0.333 9.301 ( -1.768 -0.459 0.000) 1.826 9.443 ( -3.901 -0.307 0.000) 3.913 ======================= Grid point 295 (98/105) ======================= q-point: (-0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 0.750 0.443 -0.000) 0.871 1.537 ( 3.446 -4.940 -0.000) 6.024 1.587 ( -3.947 3.013 0.000) 4.965 1.748 ( -2.554 -1.869 0.000) 3.165 1.832 ( 7.681 1.684 -0.000) 7.863 1.975 ( 2.683 -3.060 -0.000) 4.070 2.047 ( -4.712 1.648 0.000) 4.992 2.175 ( 0.166 0.691 0.000) 0.711 2.385 ( -2.313 -2.065 0.000) 3.101 2.499 ( -5.936 -0.764 0.000) 5.985 2.688 ( -0.330 -0.318 0.000) 0.458 2.726 ( -2.275 1.020 0.000) 2.493 3.140 ( 10.287 2.819 -0.000) 10.666 3.384 ( -1.380 3.008 0.000) 3.309 3.458 ( -2.013 -1.051 0.000) 2.270 3.512 ( 11.420 -3.498 -0.000) 11.944 3.795 ( -5.466 5.998 0.000) 8.115 3.921 ( -1.716 -4.195 -0.000) 4.533 4.528 ( 14.397 14.506 0.000) 20.438 5.022 ( 0.268 -8.200 -0.000) 8.204 5.458 ( -7.700 -1.723 0.000) 7.891 6.052 ( 7.841 2.302 -0.000) 8.172 6.134 ( 2.538 1.129 -0.000) 2.778 6.318 ( -6.481 -0.788 0.000) 6.529 6.457 ( 0.644 3.401 0.000) 3.462 6.567 ( -1.907 -4.215 -0.000) 4.626 6.608 ( 4.008 7.478 0.000) 8.484 6.757 ( 7.480 -7.516 -0.000) 10.604 6.918 ( -0.422 5.311 0.000) 5.328 7.098 ( -4.513 -1.318 0.000) 4.701 7.439 ( -0.684 -6.039 -0.000) 6.077 7.623 ( -9.315 -1.304 0.000) 9.406 7.896 ( -0.115 0.631 0.000) 0.641 8.001 ( 0.159 -0.532 -0.000) 0.555 8.129 ( -4.450 -0.947 0.000) 4.550 8.360 ( -4.226 -2.384 0.000) 4.852 8.642 ( 5.112 -0.289 -0.000) 5.120 8.782 ( 0.726 4.010 0.000) 4.076 9.010 ( 6.934 -0.200 -0.000) 6.937 9.176 ( 1.315 3.244 0.000) 3.500 9.299 ( -1.120 -2.205 -0.000) 2.473 9.389 ( -4.557 -0.761 0.000) 4.620 ======================= Grid point 296 (99/105) ======================= q-point: (-0.33 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 0.831 -0.057 -0.393) 0.920 1.487 ( 5.175 -2.247 0.308) 5.650 1.618 ( -3.910 1.401 -0.406) 4.173 1.719 ( -0.964 -0.186 -1.488) 1.783 1.852 ( 6.735 0.298 0.432) 6.756 1.960 ( -0.699 0.296 -0.334) 0.829 2.048 ( -4.301 1.095 -1.250) 4.611 2.207 ( 0.440 0.165 1.835) 1.894 2.378 ( -0.709 -1.176 3.580) 3.834 2.516 ( -6.399 0.200 2.672) 6.938 2.675 ( 1.567 -2.391 2.792) 3.997 2.779 ( -4.596 2.079 2.920) 5.828 3.192 ( 7.896 4.069 0.623) 8.905 3.356 ( 3.082 -6.505 -2.340) 7.569 3.417 ( 1.425 -0.006 0.390) 1.477 3.532 ( 5.913 4.422 -1.529) 7.540 3.809 ( -3.327 -5.127 0.539) 6.136 3.909 ( -4.383 3.690 -0.793) 5.784 4.640 ( 14.632 -0.276 -1.483) 14.710 4.927 ( 1.595 -0.180 -1.691) 2.332 5.435 ( -9.007 0.194 -1.962) 9.221 6.034 ( 6.968 0.551 -4.056) 8.082 6.165 ( 2.244 3.501 -2.032) 4.628 6.272 ( -6.707 -3.861 -2.020) 7.999 6.423 ( 2.631 -3.651 -4.247) 6.188 6.515 ( -1.949 2.866 -4.456) 5.645 6.644 ( 8.493 -4.598 -1.004) 9.710 6.736 ( 3.761 4.991 1.829) 6.511 6.984 ( -0.907 3.400 -0.589) 3.568 7.094 ( -5.446 -2.939 3.802) 7.263 7.366 ( -0.096 -1.020 -2.026) 2.270 7.608 ( -9.984 0.311 -1.170) 10.057 7.910 ( 0.793 0.382 1.167) 1.461 8.044 ( -0.137 0.725 5.050) 5.104 8.137 ( -4.495 -1.489 3.621) 5.961 8.358 ( -4.222 0.061 2.184) 4.753 8.650 ( 4.316 1.153 -0.095) 4.468 8.809 ( 0.682 -0.117 -0.332) 0.768 9.027 ( 7.564 -0.100 2.825) 8.075 9.204 ( 1.404 0.110 0.624) 1.540 9.271 ( -1.008 -0.003 -1.490) 1.799 9.373 ( -4.842 -0.309 -1.138) 4.984 ======================= Grid point 303 (100/105) ======================= q-point: ( 0.44 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 0.470 0.946 0.000) 1.056 1.484 ( -1.934 5.833 0.000) 6.145 1.627 ( 0.205 -4.875 -0.000) 4.879 1.734 ( -1.241 -0.545 0.000) 1.356 1.854 ( 0.652 5.184 0.000) 5.224 1.971 ( -1.872 1.953 0.000) 2.706 2.060 ( 0.535 -5.269 -0.000) 5.296 2.199 ( 1.293 -1.426 -0.000) 1.925 2.350 ( -2.596 -0.360 0.000) 2.621 2.499 ( -0.315 -4.481 -0.000) 4.492 2.638 ( 0.319 2.089 0.000) 2.113 2.774 ( 0.191 -4.857 -0.000) 4.861 3.224 ( 2.907 2.823 -0.000) 4.052 3.281 ( 1.830 8.402 0.000) 8.599 3.432 ( -1.796 -0.326 0.000) 1.825 3.610 ( -4.924 7.504 0.000) 8.975 3.719 ( 7.442 -4.259 -0.000) 8.574 3.957 ( -2.625 -4.613 -0.000) 5.308 4.524 ( 14.516 14.731 0.000) 20.681 5.018 ( -8.116 0.727 0.000) 8.149 5.460 ( -1.763 -7.855 -0.000) 8.051 6.054 ( 2.299 7.152 0.000) 7.512 6.221 ( 4.583 -5.956 -0.000) 7.515 6.240 ( -4.211 1.707 0.000) 4.544 6.409 ( 2.057 4.185 0.000) 4.664 6.558 ( 2.484 5.387 0.000) 5.932 6.596 ( 0.294 -0.462 -0.000) 0.548 6.807 ( -5.114 4.006 0.000) 6.497 6.969 ( 7.085 -6.033 -0.000) 9.306 7.061 ( -3.863 -1.549 0.000) 4.162 7.419 ( -5.251 1.217 0.000) 5.390 7.625 ( -1.648 -8.777 -0.000) 8.931 7.903 ( 0.268 -1.408 -0.000) 1.433 8.017 ( 0.297 0.385 0.000) 0.487 8.105 ( -1.601 -3.741 -0.000) 4.070 8.356 ( -2.042 -3.352 -0.000) 3.925 8.668 ( -1.042 2.809 0.000) 2.996 8.778 ( 4.307 0.225 -0.000) 4.313 9.010 ( -0.403 6.596 0.000) 6.608 9.177 ( 3.442 1.678 -0.000) 3.830 9.300 ( -2.079 -0.626 0.000) 2.172 9.382 ( -0.811 -4.397 -0.000) 4.472 ======================= Grid point 304 (101/105) ======================= q-point: (-0.44 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 0.449 0.482 -0.438) 0.791 1.544 ( -1.197 3.040 -0.387) 3.290 1.572 ( 0.811 -2.911 0.276) 3.034 1.709 ( -1.700 -1.498 -0.486) 2.317 1.912 ( 2.455 1.981 -0.717) 3.235 1.958 ( -1.264 -1.228 -4.583) 4.910 2.003 ( -0.645 -1.263 0.669) 1.568 2.220 ( 2.382 1.970 2.384) 3.904 2.376 ( -1.404 -0.061 3.992) 4.232 2.459 ( -3.787 -4.408 3.388) 6.727 2.692 ( -0.867 2.654 3.237) 4.275 2.735 ( -0.172 -3.430 3.108) 4.632 3.236 ( 2.491 -0.113 -0.207) 2.503 3.371 ( 3.024 5.427 -1.439) 6.377 3.459 ( 0.129 3.390 0.695) 3.463 3.591 ( 3.217 -3.226 -4.201) 6.197 3.754 ( -1.866 3.804 2.292) 4.817 3.882 ( -2.318 -4.883 -1.202) 5.538 4.711 ( 13.320 13.529 -1.563) 19.050 4.994 ( -3.034 -2.909 -1.801) 4.573 5.347 ( -5.933 -6.102 -1.772) 8.693 6.103 ( 3.944 3.499 -4.375) 6.851 6.151 ( 1.280 -1.353 -1.251) 2.244 6.235 ( -3.343 -0.506 -2.558) 4.240 6.436 ( 0.269 3.453 -3.659) 5.039 6.501 ( -0.705 -3.400 -4.932) 6.032 6.685 ( 5.153 8.017 0.611) 9.550 6.835 ( 1.701 -2.339 -0.507) 2.936 6.924 ( 2.620 1.167 1.213) 3.114 7.055 ( -4.757 -2.459 2.548) 5.930 7.391 ( -3.412 -2.615 -3.034) 5.262 7.516 ( -4.606 -5.124 -1.090) 6.975 7.919 ( 1.302 1.174 2.606) 3.140 8.047 ( 1.339 -0.196 4.154) 4.369 8.103 ( -3.375 -1.359 3.899) 5.333 8.323 ( -3.139 -3.319 2.249) 5.092 8.683 ( 1.270 0.494 -0.148) 1.370 8.816 ( 3.340 3.592 -0.275) 4.912 9.083 ( 1.803 2.038 2.835) 3.930 9.213 ( 2.564 2.313 0.603) 3.506 9.276 ( -0.896 -1.339 -1.486) 2.192 9.323 ( -3.255 -2.636 -0.897) 4.284 ======================= Grid point 305 (102/105) ======================= q-point: (-0.33 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 0.411 0.000 -0.681) 0.795 1.536 ( 2.007 -0.877 -1.112) 2.456 1.563 ( -2.013 0.653 -2.137) 3.007 1.695 ( 0.590 -0.134 -0.433) 0.744 1.866 ( -1.486 0.822 -6.447) 6.667 1.878 ( -2.692 -0.351 -3.881) 4.736 2.033 ( -0.028 -0.023 3.532) 3.532 2.274 ( 3.023 -0.119 2.525) 3.940 2.439 ( 0.470 -0.201 4.706) 4.734 2.482 ( -4.880 0.244 3.900) 6.252 2.768 ( 1.717 -1.008 7.489) 7.749 2.798 ( -2.541 0.962 7.479) 7.957 3.221 ( -1.258 0.403 -2.468) 2.799 3.382 ( 7.314 -0.388 -4.802) 8.759 3.475 ( 4.776 -1.858 1.191) 5.262 3.545 ( -0.747 2.771 -0.679) 2.949 3.751 ( -4.382 -1.973 -4.416) 6.526 3.855 ( -1.783 1.080 1.558) 2.603 4.805 ( 13.089 -0.108 -2.879) 13.402 4.912 ( 0.807 -0.029 -2.925) 3.034 5.270 ( -9.563 0.112 -3.016) 10.028 6.049 ( 5.879 0.591 -6.669) 8.910 6.136 ( -0.615 0.065 -3.512) 3.566 6.163 ( -3.773 -0.753 -3.508) 5.206 6.387 ( 2.014 -1.542 -5.219) 5.803 6.413 ( -1.414 1.634 -5.662) 6.060 6.725 ( 3.397 -1.429 -5.028) 6.234 6.825 ( 7.351 1.628 4.081) 8.564 6.979 ( 0.092 1.101 1.545) 1.900 7.064 ( -6.922 -1.327 3.983) 8.095 7.317 ( -2.074 -0.187 -2.109) 2.964 7.461 ( -6.701 0.176 -2.366) 7.108 7.982 ( 2.974 0.071 4.346) 5.267 8.119 ( 0.306 0.897 5.154) 5.240 8.144 ( -2.694 -1.161 4.383) 5.274 8.339 ( -3.959 0.136 3.601) 5.353 8.686 ( 1.403 0.203 -0.126) 1.424 8.833 ( 3.065 -0.071 -1.155) 3.276 9.148 ( 3.926 -0.121 3.892) 5.530 9.233 ( 0.010 -1.019 -1.789) 2.059 9.245 ( 0.621 1.446 0.855) 1.791 9.299 ( -3.618 -0.355 0.205) 3.642 ======================= Grid point 314 (103/105) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 0.000 -0.000 -0.523) 0.523 1.487 ( 0.000 -0.000 -7.703) 7.703 1.487 ( 0.000 -0.000 -7.703) 7.703 1.734 ( -0.000 0.000 2.702) 2.702 1.775 ( 0.000 -0.000 -4.190) 4.190 1.775 ( 0.000 -0.000 -4.190) 4.190 2.098 ( -0.000 0.000 4.863) 4.863 2.318 ( -0.000 0.000 1.161) 1.161 2.493 ( -0.000 0.000 2.357) 2.357 2.493 ( -0.000 0.000 2.357) 2.357 2.907 ( -0.000 0.000 10.438) 10.438 2.907 ( -0.000 0.000 10.438) 10.438 3.136 ( 0.000 -0.000 -8.217) 8.217 3.334 ( 0.000 -0.000 -10.309) 10.309 3.566 ( -0.000 0.000 4.609) 4.609 3.566 ( -0.000 0.000 4.609) 4.609 3.604 ( 0.000 -0.000 -7.761) 7.761 3.868 ( -0.000 0.000 0.970) 0.970 4.875 ( 0.000 -0.000 -3.164) 3.164 4.875 ( 0.000 -0.000 -3.164) 3.164 5.137 ( 0.000 -0.000 -3.757) 3.757 5.992 ( 0.000 -0.000 -8.199) 8.199 6.085 ( 0.000 -0.000 -3.140) 3.140 6.085 ( 0.000 -0.000 -3.140) 3.140 6.340 ( 0.000 -0.000 -3.987) 3.987 6.340 ( 0.000 -0.000 -3.987) 3.987 6.619 ( 0.000 -0.000 -10.844) 10.844 7.006 ( -0.000 0.000 6.056) 6.056 7.021 ( -0.000 0.000 3.376) 3.376 7.021 ( -0.000 0.000 3.376) 3.376 7.294 ( -0.000 0.000 2.411) 2.411 7.380 ( 0.000 -0.000 -2.361) 2.361 8.063 ( -0.000 0.000 3.346) 3.346 8.175 ( -0.000 0.000 2.291) 2.291 8.175 ( -0.000 0.000 2.291) 2.291 8.361 ( -0.000 0.000 4.244) 4.244 8.691 ( 0.000 -0.000 -0.565) 0.565 8.837 ( 0.000 -0.000 -1.610) 1.610 9.204 ( 0.000 -0.000 -1.555) 1.555 9.204 ( 0.000 -0.000 -1.555) 1.555 9.274 ( -0.000 0.000 6.338) 6.338 9.314 ( -0.000 0.000 3.045) 3.045 ======================= Grid point 380 (104/105) ======================= q-point: (-0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 0.505 -0.013 -0.000) 0.505 1.539 ( 2.853 -0.843 -0.000) 2.975 1.576 ( -2.227 0.729 0.000) 2.343 1.695 ( -2.703 -0.061 0.000) 2.704 1.937 ( 4.884 -0.116 -0.000) 4.885 1.979 ( 0.857 0.557 -0.000) 1.022 2.003 ( -3.130 -0.233 0.000) 3.138 2.224 ( 4.155 0.725 -0.000) 4.218 2.333 ( -1.072 -1.325 -0.000) 1.705 2.402 ( -6.998 0.570 0.000) 7.021 2.674 ( 1.117 -1.369 -0.000) 1.767 2.704 ( -3.056 1.300 0.000) 3.321 3.239 ( -0.081 0.565 0.000) 0.571 3.427 ( 6.174 0.839 -0.000) 6.231 3.458 ( 3.619 -2.543 -0.000) 4.423 3.623 ( 2.533 2.808 0.000) 3.782 3.742 ( -3.572 -2.444 0.000) 4.328 3.866 ( -2.954 0.857 0.000) 3.076 4.848 ( 13.368 -0.096 -0.000) 13.368 4.957 ( 0.923 0.011 -0.000) 0.924 5.315 ( -9.907 0.031 0.000) 9.907 6.133 ( 3.260 0.186 -0.000) 3.265 6.178 ( -2.695 0.643 0.000) 2.771 6.250 ( 1.729 -0.639 -0.000) 1.843 6.479 ( 1.239 -1.827 -0.000) 2.208 6.512 ( -2.846 1.496 0.000) 3.215 6.760 ( 6.166 -3.870 -0.000) 7.280 6.790 ( 6.095 4.148 -0.000) 7.373 6.969 ( -1.921 3.981 0.000) 4.420 6.992 ( -5.000 -4.120 0.000) 6.479 7.382 ( -0.726 -0.099 0.000) 0.733 7.498 ( -6.633 0.042 0.000) 6.633 7.907 ( 0.919 -0.072 -0.000) 0.922 8.023 ( 1.465 1.400 -0.000) 2.027 8.057 ( -2.984 -1.416 0.000) 3.303 8.283 ( -3.876 0.061 0.000) 3.877 8.689 ( 1.367 0.200 -0.000) 1.381 8.847 ( 3.622 -0.067 -0.000) 3.623 9.073 ( 2.462 -0.076 -0.000) 2.463 9.228 ( 2.496 0.085 -0.000) 2.497 9.272 ( -0.472 0.248 0.000) 0.533 9.313 ( -4.659 -0.296 0.000) 4.669 ======================= Grid point 389 (105/105) ======================= q-point: (-0.44 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 0.000 -0.000 -0.495) 0.495 1.560 ( 0.000 -0.000 -0.165) 0.165 1.560 ( 0.000 -0.000 -0.165) 0.165 1.680 ( -0.000 0.000 1.114) 1.114 1.939 ( 0.000 -0.000 -5.144) 5.144 1.939 ( 0.000 -0.000 -5.144) 5.144 1.997 ( -0.000 0.000 1.966) 1.966 2.287 ( -0.000 0.000 0.749) 0.749 2.366 ( -0.000 0.000 5.283) 5.283 2.366 ( -0.000 0.000 5.283) 5.283 2.705 ( -0.000 0.000 3.421) 3.421 2.705 ( -0.000 0.000 3.421) 3.421 3.229 ( 0.000 -0.000 -0.607) 0.607 3.493 ( -0.000 0.000 1.085) 1.085 3.493 ( -0.000 0.000 1.085) 1.085 3.560 ( 0.000 -0.000 -6.963) 6.963 3.748 ( -0.000 0.000 1.260) 1.260 3.836 ( 0.000 -0.000 -0.785) 0.785 4.951 ( 0.000 -0.000 -1.805) 1.805 4.951 ( 0.000 -0.000 -1.805) 1.805 5.213 ( 0.000 -0.000 -1.570) 1.570 6.146 ( 0.000 -0.000 -1.123) 1.123 6.146 ( 0.000 -0.000 -1.123) 1.123 6.223 ( 0.000 -0.000 -6.659) 6.659 6.463 ( 0.000 -0.000 -3.513) 3.513 6.463 ( 0.000 -0.000 -3.513) 3.513 6.819 ( 0.000 -0.000 -2.703) 2.703 6.843 ( -0.000 0.000 3.399) 3.399 6.956 ( -0.000 0.000 1.164) 1.164 6.956 ( -0.000 0.000 1.164) 1.164 7.343 ( 0.000 -0.000 -3.440) 3.440 7.445 ( 0.000 -0.000 -1.477) 1.477 7.945 ( -0.000 0.000 3.801) 3.801 8.062 ( -0.000 0.000 3.781) 3.781 8.062 ( -0.000 0.000 3.781) 3.781 8.269 ( -0.000 0.000 2.183) 2.183 8.696 ( 0.000 -0.000 -0.075) 0.075 8.872 ( 0.000 -0.000 -0.751) 0.751 9.115 ( -0.000 0.000 3.836) 3.836 9.258 ( 0.000 -0.000 -1.547) 1.547 9.258 ( 0.000 -0.000 -1.547) 1.547 9.262 ( -0.000 0.000 1.028) 1.028 =================== 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 3/30618 10.0 193.359 193.359 189.123 0.000 -0.000 -0.000 3/30618 20.0 35.483 35.483 32.224 0.000 -0.000 -0.000 3/30618 30.0 15.317 15.317 13.804 0.000 -0.000 -0.000 3/30618 40.0 9.108 9.108 8.265 0.000 -0.000 -0.000 3/30618 50.0 6.334 6.334 5.772 0.000 -0.000 -0.000 3/30618 60.0 4.809 4.809 4.384 0.000 -0.000 -0.000 3/30618 70.0 3.859 3.859 3.513 0.000 -0.000 -0.000 3/30618 80.0 3.219 3.219 2.922 0.000 -0.000 -0.000 3/30618 90.0 2.761 2.761 2.498 0.000 -0.000 -0.000 3/30618 100.0 2.418 2.418 2.182 0.000 -0.000 -0.000 3/30618 110.0 2.153 2.153 1.938 0.000 -0.000 -0.000 3/30618 120.0 1.942 1.942 1.744 0.000 -0.000 -0.000 3/30618 130.0 1.769 1.769 1.586 0.000 -0.000 -0.000 3/30618 140.0 1.626 1.626 1.455 0.000 -0.000 -0.000 3/30618 150.0 1.505 1.505 1.345 0.000 -0.000 -0.000 3/30618 160.0 1.401 1.401 1.250 0.000 -0.000 -0.000 3/30618 170.0 1.312 1.312 1.169 0.000 -0.000 -0.000 3/30618 180.0 1.233 1.233 1.098 0.000 -0.000 -0.000 3/30618 190.0 1.163 1.163 1.035 0.000 -0.000 -0.000 3/30618 200.0 1.102 1.102 0.979 0.000 -0.000 -0.000 3/30618 210.0 1.046 1.046 0.929 0.000 -0.000 -0.000 3/30618 220.0 0.996 0.996 0.884 0.000 -0.000 -0.000 3/30618 230.0 0.951 0.951 0.844 0.000 -0.000 -0.000 3/30618 240.0 0.910 0.910 0.807 0.000 -0.000 -0.000 3/30618 250.0 0.872 0.872 0.773 0.000 -0.000 -0.000 3/30618 260.0 0.837 0.837 0.742 0.000 -0.000 -0.000 3/30618 270.0 0.805 0.805 0.713 0.000 -0.000 -0.000 3/30618 280.0 0.775 0.775 0.687 0.000 -0.000 -0.000 3/30618 290.0 0.748 0.748 0.662 0.000 -0.000 -0.000 3/30618 300.0 0.722 0.722 0.639 0.000 -0.000 -0.000 3/30618 310.0 0.698 0.698 0.618 0.000 -0.000 -0.000 3/30618 320.0 0.676 0.676 0.598 0.000 -0.000 -0.000 3/30618 330.0 0.655 0.655 0.580 0.000 -0.000 -0.000 3/30618 340.0 0.636 0.636 0.562 0.000 -0.000 -0.000 3/30618 350.0 0.617 0.617 0.546 0.000 -0.000 -0.000 3/30618 360.0 0.600 0.600 0.530 0.000 -0.000 -0.000 3/30618 370.0 0.583 0.583 0.515 0.000 -0.000 -0.000 3/30618 380.0 0.568 0.568 0.502 0.000 -0.000 -0.000 3/30618 390.0 0.553 0.553 0.489 0.000 -0.000 -0.000 3/30618 400.0 0.539 0.539 0.476 0.000 -0.000 -0.000 3/30618 410.0 0.525 0.525 0.464 0.000 -0.000 -0.000 3/30618 420.0 0.513 0.513 0.453 0.000 -0.000 -0.000 3/30618 430.0 0.501 0.501 0.442 0.000 -0.000 -0.000 3/30618 440.0 0.489 0.489 0.432 0.000 -0.000 -0.000 3/30618 450.0 0.478 0.478 0.422 0.000 -0.000 -0.000 3/30618 460.0 0.468 0.468 0.413 0.000 -0.000 -0.000 3/30618 470.0 0.458 0.458 0.404 0.000 -0.000 -0.000 3/30618 480.0 0.448 0.448 0.396 0.000 -0.000 -0.000 3/30618 490.0 0.439 0.439 0.388 0.000 -0.000 -0.000 3/30618 500.0 0.430 0.430 0.380 0.000 -0.000 -0.000 3/30618 510.0 0.422 0.422 0.372 0.000 -0.000 -0.000 3/30618 520.0 0.413 0.413 0.365 0.000 -0.000 -0.000 3/30618 530.0 0.406 0.406 0.358 0.000 -0.000 -0.000 3/30618 540.0 0.398 0.398 0.351 0.000 -0.000 -0.000 3/30618 550.0 0.391 0.391 0.345 0.000 -0.000 -0.000 3/30618 560.0 0.384 0.384 0.339 0.000 -0.000 -0.000 3/30618 570.0 0.377 0.377 0.333 0.000 -0.000 -0.000 3/30618 580.0 0.370 0.370 0.327 0.000 -0.000 -0.000 3/30618 590.0 0.364 0.364 0.321 0.000 -0.000 -0.000 3/30618 600.0 0.358 0.358 0.316 0.000 -0.000 -0.000 3/30618 610.0 0.352 0.352 0.311 0.000 -0.000 -0.000 3/30618 620.0 0.346 0.346 0.306 0.000 -0.000 -0.000 3/30618 630.0 0.341 0.341 0.301 0.000 -0.000 -0.000 3/30618 640.0 0.335 0.335 0.296 0.000 -0.000 -0.000 3/30618 650.0 0.330 0.330 0.291 0.000 -0.000 -0.000 3/30618 660.0 0.325 0.325 0.287 0.000 -0.000 -0.000 3/30618 670.0 0.320 0.320 0.283 0.000 -0.000 -0.000 3/30618 680.0 0.316 0.316 0.279 0.000 -0.000 -0.000 3/30618 690.0 0.311 0.311 0.274 0.000 -0.000 -0.000 3/30618 700.0 0.307 0.307 0.271 0.000 -0.000 -0.000 3/30618 710.0 0.302 0.302 0.267 0.000 -0.000 -0.000 3/30618 720.0 0.298 0.298 0.263 0.000 -0.000 -0.000 3/30618 730.0 0.294 0.294 0.259 0.000 -0.000 -0.000 3/30618 740.0 0.290 0.290 0.256 0.000 -0.000 -0.000 3/30618 750.0 0.286 0.286 0.252 0.000 -0.000 -0.000 3/30618 760.0 0.282 0.282 0.249 0.000 -0.000 -0.000 3/30618 770.0 0.279 0.279 0.246 0.000 -0.000 -0.000 3/30618 780.0 0.275 0.275 0.243 0.000 -0.000 -0.000 3/30618 790.0 0.272 0.272 0.240 0.000 -0.000 -0.000 3/30618 800.0 0.268 0.268 0.237 0.000 -0.000 -0.000 3/30618 810.0 0.265 0.265 0.234 0.000 -0.000 -0.000 3/30618 820.0 0.262 0.262 0.231 0.000 -0.000 -0.000 3/30618 830.0 0.258 0.258 0.228 0.000 -0.000 -0.000 3/30618 840.0 0.255 0.255 0.225 0.000 -0.000 -0.000 3/30618 850.0 0.252 0.252 0.223 0.000 -0.000 -0.000 3/30618 860.0 0.249 0.249 0.220 0.000 -0.000 -0.000 3/30618 870.0 0.247 0.247 0.217 0.000 -0.000 -0.000 3/30618 880.0 0.244 0.244 0.215 0.000 -0.000 -0.000 3/30618 890.0 0.241 0.241 0.213 0.000 -0.000 -0.000 3/30618 900.0 0.238 0.238 0.210 0.000 -0.000 -0.000 3/30618 910.0 0.236 0.236 0.208 0.000 -0.000 -0.000 3/30618 920.0 0.233 0.233 0.206 0.000 -0.000 -0.000 3/30618 930.0 0.231 0.231 0.203 0.000 -0.000 -0.000 3/30618 940.0 0.228 0.228 0.201 0.000 -0.000 -0.000 3/30618 950.0 0.226 0.226 0.199 0.000 -0.000 -0.000 3/30618 960.0 0.223 0.223 0.197 0.000 -0.000 -0.000 3/30618 970.0 0.221 0.221 0.195 0.000 -0.000 -0.000 3/30618 980.0 0.219 0.219 0.193 0.000 -0.000 -0.000 3/30618 990.0 0.217 0.217 0.191 0.000 -0.000 -0.000 3/30618 1000.0 0.214 0.214 0.189 0.000 -0.000 -0.000 3/30618 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:29:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|