----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:37:19]------------------------- 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 3 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.966870020112126 0.000000000000000 0.000000000000000 b 0.000000000000000 5.836109519999998 0.000000000000000 c -2.303757414890234 0.000000000000000 5.486511383327831 Atomic positions (fractional): *1 S 0.14176193717541 0.64082593590464 0.83013212508435 32.065 2 S 0.85823806282460 0.35917406409536 0.16986787491565 32.065 3 S 0.85823806282460 0.14082593590464 0.66986787491565 32.065 4 S 0.14176193717541 0.85917406409536 0.33013212508435 32.065 *5 Fe 0.80248665920973 0.01823121335017 0.30294548087981 55.845 6 Fe 0.80248665920973 0.48176878664983 0.80294548087981 55.845 7 Fe 0.19751334079027 0.98176878664982 0.69705451912019 55.845 8 Fe 0.19751334079027 0.51823121335017 0.19705451912019 55.845 *9 Sb 0.64733189011314 0.63361162171168 0.36869342933697 121.760 10 Sb 0.35266810988686 0.36638837828832 0.63130657066303 121.760 11 Sb 0.64733189011314 0.86638837828832 0.86869342933697 121.760 12 Sb 0.35266810988686 0.13361162171168 0.13130657066303 121.760 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.966870020112126 0.000000000000000 0.000000000000000 b 0.000000000000000 5.836109519999998 0.000000000000000 c -2.303757414890234 0.000000000000000 5.486511383327831 Atomic positions (fractional): *1 S 0.14176193717541 0.64082593590464 0.83013212508435 32.065 > 1 2 S 0.85823806282460 0.35917406409536 0.16986787491565 32.065 > 2 3 S 0.85823806282460 0.14082593590464 0.66986787491565 32.065 > 3 4 S 0.14176193717541 0.85917406409536 0.33013212508435 32.065 > 4 *5 Fe 0.80248665920973 0.01823121335017 0.30294548087981 55.845 > 5 6 Fe 0.80248665920973 0.48176878664983 0.80294548087981 55.845 > 6 7 Fe 0.19751334079027 0.98176878664983 0.69705451912019 55.845 > 7 8 Fe 0.19751334079027 0.51823121335017 0.19705451912019 55.845 > 8 *9 Sb 0.64733189011314 0.63361162171168 0.36869342933697 121.760 > 9 10 Sb 0.35266810988686 0.36638837828832 0.63130657066303 121.760 > 10 11 Sb 0.64733189011314 0.86638837828832 0.86869342933697 121.760 > 11 12 Sb 0.35266810988686 0.13361162171168 0.13130657066303 121.760 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.933740040224253 0.000000000000000 0.000000000000000 b 0.000000000000000 17.508328559999995 0.000000000000000 c -4.607514829780468 0.000000000000000 10.973022766655662 Atomic positions (fractional): *1 S 0.07088096858770 0.21360864530155 0.41506606254217 32.065 > 1 2 S 0.57088096858770 0.21360864530155 0.41506606254217 32.065 > 1 3 S 0.07088096858770 0.54694197863488 0.41506606254217 32.065 > 1 4 S 0.57088096858770 0.54694197863488 0.41506606254217 32.065 > 1 5 S 0.07088096858770 0.88027531196821 0.41506606254217 32.065 > 1 6 S 0.57088096858770 0.88027531196821 0.41506606254217 32.065 > 1 7 S 0.07088096858770 0.21360864530155 0.91506606254217 32.065 > 1 8 S 0.57088096858770 0.21360864530155 0.91506606254217 32.065 > 1 9 S 0.07088096858770 0.54694197863488 0.91506606254217 32.065 > 1 10 S 0.57088096858770 0.54694197863488 0.91506606254217 32.065 > 1 11 S 0.07088096858770 0.88027531196821 0.91506606254217 32.065 > 1 12 S 0.57088096858770 0.88027531196821 0.91506606254217 32.065 > 1 13 S 0.42911903141230 0.11972468803179 0.08493393745783 32.065 > 2 14 S 0.92911903141230 0.11972468803179 0.08493393745783 32.065 > 2 15 S 0.42911903141230 0.45305802136512 0.08493393745783 32.065 > 2 16 S 0.92911903141230 0.45305802136512 0.08493393745783 32.065 > 2 17 S 0.42911903141230 0.78639135469845 0.08493393745783 32.065 > 2 18 S 0.92911903141230 0.78639135469845 0.08493393745783 32.065 > 2 19 S 0.42911903141230 0.11972468803179 0.58493393745783 32.065 > 2 20 S 0.92911903141230 0.11972468803179 0.58493393745783 32.065 > 2 21 S 0.42911903141230 0.45305802136512 0.58493393745783 32.065 > 2 22 S 0.92911903141230 0.45305802136512 0.58493393745783 32.065 > 2 23 S 0.42911903141230 0.78639135469845 0.58493393745783 32.065 > 2 24 S 0.92911903141230 0.78639135469845 0.58493393745783 32.065 > 2 25 S 0.42911903141230 0.04694197863488 0.33493393745783 32.065 > 3 26 S 0.92911903141230 0.04694197863488 0.33493393745783 32.065 > 3 27 S 0.42911903141230 0.38027531196821 0.33493393745783 32.065 > 3 28 S 0.92911903141230 0.38027531196821 0.33493393745783 32.065 > 3 29 S 0.42911903141230 0.71360864530155 0.33493393745783 32.065 > 3 30 S 0.92911903141230 0.71360864530155 0.33493393745783 32.065 > 3 31 S 0.42911903141230 0.04694197863488 0.83493393745783 32.065 > 3 32 S 0.92911903141230 0.04694197863488 0.83493393745783 32.065 > 3 33 S 0.42911903141230 0.38027531196821 0.83493393745783 32.065 > 3 34 S 0.92911903141230 0.38027531196821 0.83493393745783 32.065 > 3 35 S 0.42911903141230 0.71360864530155 0.83493393745783 32.065 > 3 36 S 0.92911903141230 0.71360864530155 0.83493393745783 32.065 > 3 37 S 0.07088096858770 0.28639135469845 0.16506606254217 32.065 > 4 38 S 0.57088096858770 0.28639135469845 0.16506606254217 32.065 > 4 39 S 0.07088096858770 0.61972468803179 0.16506606254217 32.065 > 4 40 S 0.57088096858770 0.61972468803179 0.16506606254217 32.065 > 4 41 S 0.07088096858770 0.95305802136512 0.16506606254217 32.065 > 4 42 S 0.57088096858770 0.95305802136512 0.16506606254217 32.065 > 4 43 S 0.07088096858770 0.28639135469845 0.66506606254217 32.065 > 4 44 S 0.57088096858770 0.28639135469845 0.66506606254217 32.065 > 4 45 S 0.07088096858770 0.61972468803179 0.66506606254217 32.065 > 4 46 S 0.57088096858770 0.61972468803179 0.66506606254217 32.065 > 4 47 S 0.07088096858770 0.95305802136512 0.66506606254217 32.065 > 4 48 S 0.57088096858770 0.95305802136512 0.66506606254217 32.065 > 4 *49 Fe 0.40124332960487 0.00607707111672 0.15147274043991 55.845 > 5 50 Fe 0.90124332960487 0.00607707111672 0.15147274043991 55.845 > 5 51 Fe 0.40124332960487 0.33941040445006 0.15147274043991 55.845 > 5 52 Fe 0.90124332960487 0.33941040445006 0.15147274043991 55.845 > 5 53 Fe 0.40124332960487 0.67274373778339 0.15147274043991 55.845 > 5 54 Fe 0.90124332960487 0.67274373778339 0.15147274043991 55.845 > 5 55 Fe 0.40124332960487 0.00607707111672 0.65147274043991 55.845 > 5 56 Fe 0.90124332960487 0.00607707111672 0.65147274043991 55.845 > 5 57 Fe 0.40124332960487 0.33941040445006 0.65147274043991 55.845 > 5 58 Fe 0.90124332960487 0.33941040445006 0.65147274043991 55.845 > 5 59 Fe 0.40124332960487 0.67274373778339 0.65147274043991 55.845 > 5 60 Fe 0.90124332960487 0.67274373778339 0.65147274043991 55.845 > 5 61 Fe 0.40124332960487 0.16058959554994 0.40147274043991 55.845 > 6 62 Fe 0.90124332960487 0.16058959554994 0.40147274043991 55.845 > 6 63 Fe 0.40124332960487 0.49392292888328 0.40147274043991 55.845 > 6 64 Fe 0.90124332960487 0.49392292888328 0.40147274043991 55.845 > 6 65 Fe 0.40124332960487 0.82725626221661 0.40147274043991 55.845 > 6 66 Fe 0.90124332960487 0.82725626221661 0.40147274043991 55.845 > 6 67 Fe 0.40124332960487 0.16058959554994 0.90147274043991 55.845 > 6 68 Fe 0.90124332960487 0.16058959554994 0.90147274043991 55.845 > 6 69 Fe 0.40124332960487 0.49392292888328 0.90147274043991 55.845 > 6 70 Fe 0.90124332960487 0.49392292888328 0.90147274043991 55.845 > 6 71 Fe 0.40124332960487 0.82725626221661 0.90147274043991 55.845 > 6 72 Fe 0.90124332960487 0.82725626221661 0.90147274043991 55.845 > 6 73 Fe 0.09875667039513 0.32725626221661 0.34852725956009 55.845 > 7 74 Fe 0.59875667039513 0.32725626221661 0.34852725956009 55.845 > 7 75 Fe 0.09875667039513 0.66058959554994 0.34852725956009 55.845 > 7 76 Fe 0.59875667039513 0.66058959554994 0.34852725956009 55.845 > 7 77 Fe 0.09875667039513 0.99392292888327 0.34852725956009 55.845 > 7 78 Fe 0.59875667039513 0.99392292888327 0.34852725956009 55.845 > 7 79 Fe 0.09875667039513 0.32725626221661 0.84852725956009 55.845 > 7 80 Fe 0.59875667039513 0.32725626221661 0.84852725956009 55.845 > 7 81 Fe 0.09875667039513 0.66058959554994 0.84852725956009 55.845 > 7 82 Fe 0.59875667039513 0.66058959554994 0.84852725956009 55.845 > 7 83 Fe 0.09875667039513 0.99392292888327 0.84852725956009 55.845 > 7 84 Fe 0.59875667039513 0.99392292888327 0.84852725956009 55.845 > 7 85 Fe 0.09875667039513 0.17274373778339 0.09852725956009 55.845 > 8 86 Fe 0.59875667039513 0.17274373778339 0.09852725956009 55.845 > 8 87 Fe 0.09875667039513 0.50607707111672 0.09852725956009 55.845 > 8 88 Fe 0.59875667039513 0.50607707111672 0.09852725956009 55.845 > 8 89 Fe 0.09875667039513 0.83941040445006 0.09852725956009 55.845 > 8 90 Fe 0.59875667039513 0.83941040445006 0.09852725956009 55.845 > 8 91 Fe 0.09875667039513 0.17274373778339 0.59852725956009 55.845 > 8 92 Fe 0.59875667039513 0.17274373778339 0.59852725956009 55.845 > 8 93 Fe 0.09875667039513 0.50607707111672 0.59852725956009 55.845 > 8 94 Fe 0.59875667039513 0.50607707111672 0.59852725956009 55.845 > 8 95 Fe 0.09875667039513 0.83941040445006 0.59852725956009 55.845 > 8 96 Fe 0.59875667039513 0.83941040445006 0.59852725956009 55.845 > 8 *97 Sb 0.32366594505657 0.21120387390389 0.18434671466849 121.760 > 9 98 Sb 0.82366594505657 0.21120387390389 0.18434671466849 121.760 > 9 99 Sb 0.32366594505657 0.54453720723723 0.18434671466849 121.760 > 9 100 Sb 0.82366594505657 0.54453720723723 0.18434671466849 121.760 > 9 101 Sb 0.32366594505657 0.87787054057056 0.18434671466849 121.760 > 9 102 Sb 0.82366594505657 0.87787054057056 0.18434671466849 121.760 > 9 103 Sb 0.32366594505657 0.21120387390389 0.68434671466849 121.760 > 9 104 Sb 0.82366594505657 0.21120387390389 0.68434671466849 121.760 > 9 105 Sb 0.32366594505657 0.54453720723723 0.68434671466849 121.760 > 9 106 Sb 0.82366594505657 0.54453720723723 0.68434671466849 121.760 > 9 107 Sb 0.32366594505657 0.87787054057056 0.68434671466849 121.760 > 9 108 Sb 0.82366594505657 0.87787054057056 0.68434671466849 121.760 > 9 109 Sb 0.17633405494343 0.12212945942944 0.31565328533151 121.760 > 10 110 Sb 0.67633405494343 0.12212945942944 0.31565328533151 121.760 > 10 111 Sb 0.17633405494343 0.45546279276277 0.31565328533151 121.760 > 10 112 Sb 0.67633405494343 0.45546279276277 0.31565328533151 121.760 > 10 113 Sb 0.17633405494343 0.78879612609611 0.31565328533151 121.760 > 10 114 Sb 0.67633405494343 0.78879612609611 0.31565328533151 121.760 > 10 115 Sb 0.17633405494343 0.12212945942944 0.81565328533151 121.760 > 10 116 Sb 0.67633405494343 0.12212945942944 0.81565328533151 121.760 > 10 117 Sb 0.17633405494343 0.45546279276277 0.81565328533151 121.760 > 10 118 Sb 0.67633405494343 0.45546279276277 0.81565328533151 121.760 > 10 119 Sb 0.17633405494343 0.78879612609611 0.81565328533151 121.760 > 10 120 Sb 0.67633405494343 0.78879612609611 0.81565328533151 121.760 > 10 121 Sb 0.32366594505657 0.28879612609611 0.43434671466849 121.760 > 11 122 Sb 0.82366594505657 0.28879612609611 0.43434671466849 121.760 > 11 123 Sb 0.32366594505657 0.62212945942944 0.43434671466849 121.760 > 11 124 Sb 0.82366594505657 0.62212945942944 0.43434671466849 121.760 > 11 125 Sb 0.32366594505657 0.95546279276277 0.43434671466849 121.760 > 11 126 Sb 0.82366594505657 0.95546279276277 0.43434671466849 121.760 > 11 127 Sb 0.32366594505657 0.28879612609611 0.93434671466849 121.760 > 11 128 Sb 0.82366594505657 0.28879612609611 0.93434671466849 121.760 > 11 129 Sb 0.32366594505657 0.62212945942944 0.93434671466849 121.760 > 11 130 Sb 0.82366594505657 0.62212945942944 0.93434671466849 121.760 > 11 131 Sb 0.32366594505657 0.95546279276277 0.93434671466849 121.760 > 11 132 Sb 0.82366594505657 0.95546279276277 0.93434671466849 121.760 > 11 133 Sb 0.17633405494343 0.04453720723723 0.06565328533151 121.760 > 12 134 Sb 0.67633405494343 0.04453720723723 0.06565328533151 121.760 > 12 135 Sb 0.17633405494343 0.37787054057056 0.06565328533151 121.760 > 12 136 Sb 0.67633405494343 0.37787054057056 0.06565328533151 121.760 > 12 137 Sb 0.17633405494343 0.71120387390389 0.06565328533151 121.760 > 12 138 Sb 0.67633405494343 0.71120387390389 0.06565328533151 121.760 > 12 139 Sb 0.17633405494343 0.04453720723723 0.56565328533151 121.760 > 12 140 Sb 0.67633405494343 0.04453720723723 0.56565328533151 121.760 > 12 141 Sb 0.17633405494343 0.37787054057056 0.56565328533151 121.760 > 12 142 Sb 0.67633405494343 0.37787054057056 0.56565328533151 121.760 > 12 143 Sb 0.17633405494343 0.71120387390389 0.56565328533151 121.760 > 12 144 Sb 0.67633405494343 0.71120387390389 0.56565328533151 121.760 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 25.5304034 0.0000000 -0.7701843 0.0000000 28.9152861 0.0000000 -0.7701833 0.0000000 24.1781560 -------------------------- Born effective charges -------------------------- 1 S 2.8692829 0.1235172 -0.2552150 0.1301392 2.7623745 -0.3838416 0.1931871 -0.3012525 2.5780468 2 S 2.8692829 0.1235172 -0.2552150 0.1301392 2.7623745 -0.3838416 0.1931871 -0.3012525 2.5780468 3 S 2.8692829 -0.1235172 -0.2552150 -0.1301392 2.7623745 0.3838416 0.1931871 0.3012525 2.5780468 4 S 2.8692829 -0.1235172 -0.2552150 -0.1301392 2.7623745 0.3838416 0.1931871 0.3012525 2.5780468 5 Fe -6.5960868 0.4317743 0.0926035 0.4215025 -6.4990337 -0.6111330 0.0317861 -0.1978000 -6.5238963 6 Fe -6.5960868 -0.4317743 0.0926035 -0.4215025 -6.4990337 0.6111330 0.0317861 0.1978000 -6.5238963 7 Fe -6.5960868 0.4317743 0.0926035 0.4215025 -6.4990337 -0.6111330 0.0317861 -0.1978000 -6.5238963 8 Fe -6.5960868 -0.4317743 0.0926035 -0.4215025 -6.4990337 0.6111330 0.0317861 0.1978000 -6.5238963 9 Sb 3.7268039 0.3082889 0.1626115 -0.0437608 3.7366593 0.0957641 -0.2249732 -0.2180310 3.9458495 10 Sb 3.7268039 0.3082889 0.1626115 -0.0437608 3.7366593 0.0957641 -0.2249732 -0.2180310 3.9458495 11 Sb 3.7268039 -0.3082889 0.1626115 0.0437608 3.7366593 -0.0957641 -0.2249732 0.2180310 3.9458495 12 Sb 3.7268039 -0.3082889 0.1626115 0.0437608 3.7366593 -0.0957641 -0.2249732 0.2180310 3.9458495 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2034 Number of blocks in projector: 2034 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 246 Use standard eigh solver. Tree of FC basis block matrices: - (2034, 2008), data: False |-- (246, 243), data: True |-- (246, 243), data: True |-- (246, 243), data: True |-- (432, 426), data: True |-- (432, 427), data: True |-- (432, 426), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 400 - Time: 0.676 Solver_block: 200 / 400 - Time: 0.649 Solver_block: 300 / 400 - Time: 0.645 Solver_block: 400 / 400 - Time: 0.646 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.665 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2034 Number of blocks in projector: 2034 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 246 Use standard eigh solver. Tree of FC basis block matrices: - (2034, 2008), data: False |-- (246, 243), data: True |-- (246, 243), data: True |-- (246, 243), data: True |-- (432, 426), data: True |-- (432, 427), data: True |-- (432, 426), 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 06:37:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:37:45]------------------------- 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 3 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.966870020112126 0.000000000000000 0.000000000000000 b 0.000000000000000 5.836109519999998 0.000000000000000 c -2.303757414890234 0.000000000000000 5.486511383327831 Atomic positions (fractional): 1 S 0.14176193717541 0.64082593590464 0.83013212508435 32.065 2 S 0.85823806282460 0.35917406409536 0.16986787491565 32.065 3 S 0.85823806282460 0.14082593590464 0.66986787491565 32.065 4 S 0.14176193717541 0.85917406409536 0.33013212508435 32.065 5 Fe 0.80248665920973 0.01823121335017 0.30294548087981 55.845 6 Fe 0.80248665920973 0.48176878664983 0.80294548087981 55.845 7 Fe 0.19751334079027 0.98176878664982 0.69705451912019 55.845 8 Fe 0.19751334079027 0.51823121335017 0.19705451912019 55.845 9 Sb 0.64733189011314 0.63361162171168 0.36869342933697 121.760 10 Sb 0.35266810988686 0.36638837828832 0.63130657066303 121.760 11 Sb 0.64733189011314 0.86638837828832 0.86869342933697 121.760 12 Sb 0.35266810988686 0.13361162171168 0.13130657066303 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.933740040224253 0.000000000000000 0.000000000000000 b 0.000000000000000 17.508328559999995 0.000000000000000 c -4.607514829780468 0.000000000000000 10.973022766655662 Atomic positions (fractional): 1 S 0.07088096858770 0.21360864530155 0.41506606254217 32.065 > 1 2 S 0.57088096858770 0.21360864530155 0.41506606254217 32.065 > 1 3 S 0.07088096858770 0.54694197863488 0.41506606254217 32.065 > 1 4 S 0.57088096858770 0.54694197863488 0.41506606254217 32.065 > 1 5 S 0.07088096858770 0.88027531196821 0.41506606254217 32.065 > 1 6 S 0.57088096858770 0.88027531196821 0.41506606254217 32.065 > 1 7 S 0.07088096858770 0.21360864530155 0.91506606254217 32.065 > 1 8 S 0.57088096858770 0.21360864530155 0.91506606254217 32.065 > 1 9 S 0.07088096858770 0.54694197863488 0.91506606254217 32.065 > 1 10 S 0.57088096858770 0.54694197863488 0.91506606254217 32.065 > 1 11 S 0.07088096858770 0.88027531196821 0.91506606254217 32.065 > 1 12 S 0.57088096858770 0.88027531196821 0.91506606254217 32.065 > 1 13 S 0.42911903141230 0.11972468803179 0.08493393745783 32.065 > 13 14 S 0.92911903141230 0.11972468803179 0.08493393745783 32.065 > 13 15 S 0.42911903141230 0.45305802136512 0.08493393745783 32.065 > 13 16 S 0.92911903141230 0.45305802136512 0.08493393745783 32.065 > 13 17 S 0.42911903141230 0.78639135469845 0.08493393745783 32.065 > 13 18 S 0.92911903141230 0.78639135469845 0.08493393745783 32.065 > 13 19 S 0.42911903141230 0.11972468803179 0.58493393745783 32.065 > 13 20 S 0.92911903141230 0.11972468803179 0.58493393745783 32.065 > 13 21 S 0.42911903141230 0.45305802136512 0.58493393745783 32.065 > 13 22 S 0.92911903141230 0.45305802136512 0.58493393745783 32.065 > 13 23 S 0.42911903141230 0.78639135469845 0.58493393745783 32.065 > 13 24 S 0.92911903141230 0.78639135469845 0.58493393745783 32.065 > 13 25 S 0.42911903141230 0.04694197863488 0.33493393745783 32.065 > 25 26 S 0.92911903141230 0.04694197863488 0.33493393745783 32.065 > 25 27 S 0.42911903141230 0.38027531196821 0.33493393745783 32.065 > 25 28 S 0.92911903141230 0.38027531196821 0.33493393745783 32.065 > 25 29 S 0.42911903141230 0.71360864530155 0.33493393745783 32.065 > 25 30 S 0.92911903141230 0.71360864530155 0.33493393745783 32.065 > 25 31 S 0.42911903141230 0.04694197863488 0.83493393745783 32.065 > 25 32 S 0.92911903141230 0.04694197863488 0.83493393745783 32.065 > 25 33 S 0.42911903141230 0.38027531196821 0.83493393745783 32.065 > 25 34 S 0.92911903141230 0.38027531196821 0.83493393745783 32.065 > 25 35 S 0.42911903141230 0.71360864530155 0.83493393745783 32.065 > 25 36 S 0.92911903141230 0.71360864530155 0.83493393745783 32.065 > 25 37 S 0.07088096858770 0.28639135469845 0.16506606254217 32.065 > 37 38 S 0.57088096858770 0.28639135469845 0.16506606254217 32.065 > 37 39 S 0.07088096858770 0.61972468803179 0.16506606254217 32.065 > 37 40 S 0.57088096858770 0.61972468803179 0.16506606254217 32.065 > 37 41 S 0.07088096858770 0.95305802136512 0.16506606254217 32.065 > 37 42 S 0.57088096858770 0.95305802136512 0.16506606254217 32.065 > 37 43 S 0.07088096858770 0.28639135469845 0.66506606254217 32.065 > 37 44 S 0.57088096858770 0.28639135469845 0.66506606254217 32.065 > 37 45 S 0.07088096858770 0.61972468803179 0.66506606254217 32.065 > 37 46 S 0.57088096858770 0.61972468803179 0.66506606254217 32.065 > 37 47 S 0.07088096858770 0.95305802136512 0.66506606254217 32.065 > 37 48 S 0.57088096858770 0.95305802136512 0.66506606254217 32.065 > 37 49 Fe 0.40124332960487 0.00607707111672 0.15147274043991 55.845 > 49 50 Fe 0.90124332960487 0.00607707111672 0.15147274043991 55.845 > 49 51 Fe 0.40124332960487 0.33941040445006 0.15147274043991 55.845 > 49 52 Fe 0.90124332960487 0.33941040445006 0.15147274043991 55.845 > 49 53 Fe 0.40124332960487 0.67274373778339 0.15147274043991 55.845 > 49 54 Fe 0.90124332960487 0.67274373778339 0.15147274043991 55.845 > 49 55 Fe 0.40124332960487 0.00607707111672 0.65147274043991 55.845 > 49 56 Fe 0.90124332960487 0.00607707111672 0.65147274043991 55.845 > 49 57 Fe 0.40124332960487 0.33941040445006 0.65147274043991 55.845 > 49 58 Fe 0.90124332960487 0.33941040445006 0.65147274043991 55.845 > 49 59 Fe 0.40124332960487 0.67274373778339 0.65147274043991 55.845 > 49 60 Fe 0.90124332960487 0.67274373778339 0.65147274043991 55.845 > 49 61 Fe 0.40124332960487 0.16058959554994 0.40147274043991 55.845 > 61 62 Fe 0.90124332960487 0.16058959554994 0.40147274043991 55.845 > 61 63 Fe 0.40124332960487 0.49392292888328 0.40147274043991 55.845 > 61 64 Fe 0.90124332960487 0.49392292888328 0.40147274043991 55.845 > 61 65 Fe 0.40124332960487 0.82725626221661 0.40147274043991 55.845 > 61 66 Fe 0.90124332960487 0.82725626221661 0.40147274043991 55.845 > 61 67 Fe 0.40124332960487 0.16058959554994 0.90147274043991 55.845 > 61 68 Fe 0.90124332960487 0.16058959554994 0.90147274043991 55.845 > 61 69 Fe 0.40124332960487 0.49392292888328 0.90147274043991 55.845 > 61 70 Fe 0.90124332960487 0.49392292888328 0.90147274043991 55.845 > 61 71 Fe 0.40124332960487 0.82725626221661 0.90147274043991 55.845 > 61 72 Fe 0.90124332960487 0.82725626221661 0.90147274043991 55.845 > 61 73 Fe 0.09875667039513 0.32725626221661 0.34852725956009 55.845 > 73 74 Fe 0.59875667039513 0.32725626221661 0.34852725956009 55.845 > 73 75 Fe 0.09875667039513 0.66058959554994 0.34852725956009 55.845 > 73 76 Fe 0.59875667039513 0.66058959554994 0.34852725956009 55.845 > 73 77 Fe 0.09875667039513 0.99392292888327 0.34852725956009 55.845 > 73 78 Fe 0.59875667039513 0.99392292888327 0.34852725956009 55.845 > 73 79 Fe 0.09875667039513 0.32725626221661 0.84852725956009 55.845 > 73 80 Fe 0.59875667039513 0.32725626221661 0.84852725956009 55.845 > 73 81 Fe 0.09875667039513 0.66058959554994 0.84852725956009 55.845 > 73 82 Fe 0.59875667039513 0.66058959554994 0.84852725956009 55.845 > 73 83 Fe 0.09875667039513 0.99392292888327 0.84852725956009 55.845 > 73 84 Fe 0.59875667039513 0.99392292888327 0.84852725956009 55.845 > 73 85 Fe 0.09875667039513 0.17274373778339 0.09852725956009 55.845 > 85 86 Fe 0.59875667039513 0.17274373778339 0.09852725956009 55.845 > 85 87 Fe 0.09875667039513 0.50607707111672 0.09852725956009 55.845 > 85 88 Fe 0.59875667039513 0.50607707111672 0.09852725956009 55.845 > 85 89 Fe 0.09875667039513 0.83941040445006 0.09852725956009 55.845 > 85 90 Fe 0.59875667039513 0.83941040445006 0.09852725956009 55.845 > 85 91 Fe 0.09875667039513 0.17274373778339 0.59852725956009 55.845 > 85 92 Fe 0.59875667039513 0.17274373778339 0.59852725956009 55.845 > 85 93 Fe 0.09875667039513 0.50607707111672 0.59852725956009 55.845 > 85 94 Fe 0.59875667039513 0.50607707111672 0.59852725956009 55.845 > 85 95 Fe 0.09875667039513 0.83941040445006 0.59852725956009 55.845 > 85 96 Fe 0.59875667039513 0.83941040445006 0.59852725956009 55.845 > 85 97 Sb 0.32366594505657 0.21120387390389 0.18434671466849 121.760 > 97 98 Sb 0.82366594505657 0.21120387390389 0.18434671466849 121.760 > 97 99 Sb 0.32366594505657 0.54453720723723 0.18434671466849 121.760 > 97 100 Sb 0.82366594505657 0.54453720723723 0.18434671466849 121.760 > 97 101 Sb 0.32366594505657 0.87787054057056 0.18434671466849 121.760 > 97 102 Sb 0.82366594505657 0.87787054057056 0.18434671466849 121.760 > 97 103 Sb 0.32366594505657 0.21120387390389 0.68434671466849 121.760 > 97 104 Sb 0.82366594505657 0.21120387390389 0.68434671466849 121.760 > 97 105 Sb 0.32366594505657 0.54453720723723 0.68434671466849 121.760 > 97 106 Sb 0.82366594505657 0.54453720723723 0.68434671466849 121.760 > 97 107 Sb 0.32366594505657 0.87787054057056 0.68434671466849 121.760 > 97 108 Sb 0.82366594505657 0.87787054057056 0.68434671466849 121.760 > 97 109 Sb 0.17633405494343 0.12212945942944 0.31565328533151 121.760 > 109 110 Sb 0.67633405494343 0.12212945942944 0.31565328533151 121.760 > 109 111 Sb 0.17633405494343 0.45546279276277 0.31565328533151 121.760 > 109 112 Sb 0.67633405494343 0.45546279276277 0.31565328533151 121.760 > 109 113 Sb 0.17633405494343 0.78879612609611 0.31565328533151 121.760 > 109 114 Sb 0.67633405494343 0.78879612609611 0.31565328533151 121.760 > 109 115 Sb 0.17633405494343 0.12212945942944 0.81565328533151 121.760 > 109 116 Sb 0.67633405494343 0.12212945942944 0.81565328533151 121.760 > 109 117 Sb 0.17633405494343 0.45546279276277 0.81565328533151 121.760 > 109 118 Sb 0.67633405494343 0.45546279276277 0.81565328533151 121.760 > 109 119 Sb 0.17633405494343 0.78879612609611 0.81565328533151 121.760 > 109 120 Sb 0.67633405494343 0.78879612609611 0.81565328533151 121.760 > 109 121 Sb 0.32366594505657 0.28879612609611 0.43434671466849 121.760 > 121 122 Sb 0.82366594505657 0.28879612609611 0.43434671466849 121.760 > 121 123 Sb 0.32366594505657 0.62212945942944 0.43434671466849 121.760 > 121 124 Sb 0.82366594505657 0.62212945942944 0.43434671466849 121.760 > 121 125 Sb 0.32366594505657 0.95546279276277 0.43434671466849 121.760 > 121 126 Sb 0.82366594505657 0.95546279276277 0.43434671466849 121.760 > 121 127 Sb 0.32366594505657 0.28879612609611 0.93434671466849 121.760 > 121 128 Sb 0.82366594505657 0.28879612609611 0.93434671466849 121.760 > 121 129 Sb 0.32366594505657 0.62212945942944 0.93434671466849 121.760 > 121 130 Sb 0.82366594505657 0.62212945942944 0.93434671466849 121.760 > 121 131 Sb 0.32366594505657 0.95546279276277 0.93434671466849 121.760 > 121 132 Sb 0.82366594505657 0.95546279276277 0.93434671466849 121.760 > 121 133 Sb 0.17633405494343 0.04453720723723 0.06565328533151 121.760 > 133 134 Sb 0.67633405494343 0.04453720723723 0.06565328533151 121.760 > 133 135 Sb 0.17633405494343 0.37787054057056 0.06565328533151 121.760 > 133 136 Sb 0.67633405494343 0.37787054057056 0.06565328533151 121.760 > 133 137 Sb 0.17633405494343 0.71120387390389 0.06565328533151 121.760 > 133 138 Sb 0.67633405494343 0.71120387390389 0.06565328533151 121.760 > 133 139 Sb 0.17633405494343 0.04453720723723 0.56565328533151 121.760 > 133 140 Sb 0.67633405494343 0.04453720723723 0.56565328533151 121.760 > 133 141 Sb 0.17633405494343 0.37787054057056 0.56565328533151 121.760 > 133 142 Sb 0.67633405494343 0.37787054057056 0.56565328533151 121.760 > 133 143 Sb 0.17633405494343 0.71120387390389 0.56565328533151 121.760 > 133 144 Sb 0.67633405494343 0.71120387390389 0.56565328533151 121.760 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 25.5304034 0.0000000 -0.7701843 0.0000000 28.9152861 0.0000000 -0.7701833 0.0000000 24.1781560 -------------------------- Born effective charges -------------------------- 1 S 2.8692829 0.1235172 -0.2552150 0.1301392 2.7623745 -0.3838416 0.1931871 -0.3012525 2.5780468 2 S 2.8692829 0.1235172 -0.2552150 0.1301392 2.7623745 -0.3838416 0.1931871 -0.3012525 2.5780468 3 S 2.8692829 -0.1235172 -0.2552150 -0.1301392 2.7623745 0.3838416 0.1931871 0.3012525 2.5780468 4 S 2.8692829 -0.1235172 -0.2552150 -0.1301392 2.7623745 0.3838416 0.1931871 0.3012525 2.5780468 5 Fe -6.5960868 0.4317743 0.0926035 0.4215025 -6.4990337 -0.6111330 0.0317861 -0.1978000 -6.5238963 6 Fe -6.5960868 -0.4317743 0.0926035 -0.4215025 -6.4990337 0.6111330 0.0317861 0.1978000 -6.5238963 7 Fe -6.5960868 0.4317743 0.0926035 0.4215025 -6.4990337 -0.6111330 0.0317861 -0.1978000 -6.5238963 8 Fe -6.5960868 -0.4317743 0.0926035 -0.4215025 -6.4990337 0.6111330 0.0317861 0.1978000 -6.5238963 9 Sb 3.7268039 0.3082889 0.1626115 -0.0437608 3.7366593 0.0957641 -0.2249732 -0.2180310 3.9458495 10 Sb 3.7268039 0.3082889 0.1626115 -0.0437608 3.7366593 0.0957641 -0.2249732 -0.2180310 3.9458495 11 Sb 3.7268039 -0.3082889 0.1626115 0.0437608 3.7366593 -0.0957641 -0.2249732 0.2180310 3.9458495 12 Sb 3.7268039 -0.3082889 0.1626115 0.0437608 3.7366593 -0.0957641 -0.2249732 0.2180310 3.9458495 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zx) 0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:38:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:38:09]------------------------- 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 3 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.966870020112126 0.000000000000000 0.000000000000000 b 0.000000000000000 5.836109519999998 0.000000000000000 c -2.303757414890234 0.000000000000000 5.486511383327831 Atomic positions (fractional): 1 S 0.14176193717541 0.64082593590464 0.83013212508435 32.065 2 S 0.85823806282460 0.35917406409536 0.16986787491565 32.065 3 S 0.85823806282460 0.14082593590464 0.66986787491565 32.065 4 S 0.14176193717541 0.85917406409536 0.33013212508435 32.065 5 Fe 0.80248665920973 0.01823121335017 0.30294548087981 55.845 6 Fe 0.80248665920973 0.48176878664983 0.80294548087981 55.845 7 Fe 0.19751334079027 0.98176878664982 0.69705451912019 55.845 8 Fe 0.19751334079027 0.51823121335017 0.19705451912019 55.845 9 Sb 0.64733189011314 0.63361162171168 0.36869342933697 121.760 10 Sb 0.35266810988686 0.36638837828832 0.63130657066303 121.760 11 Sb 0.64733189011314 0.86638837828832 0.86869342933697 121.760 12 Sb 0.35266810988686 0.13361162171168 0.13130657066303 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.933740040224253 0.000000000000000 0.000000000000000 b 0.000000000000000 17.508328559999995 0.000000000000000 c -4.607514829780468 0.000000000000000 10.973022766655662 Atomic positions (fractional): 1 S 0.07088096858770 0.21360864530155 0.41506606254217 32.065 > 1 2 S 0.57088096858770 0.21360864530155 0.41506606254217 32.065 > 1 3 S 0.07088096858770 0.54694197863488 0.41506606254217 32.065 > 1 4 S 0.57088096858770 0.54694197863488 0.41506606254217 32.065 > 1 5 S 0.07088096858770 0.88027531196821 0.41506606254217 32.065 > 1 6 S 0.57088096858770 0.88027531196821 0.41506606254217 32.065 > 1 7 S 0.07088096858770 0.21360864530155 0.91506606254217 32.065 > 1 8 S 0.57088096858770 0.21360864530155 0.91506606254217 32.065 > 1 9 S 0.07088096858770 0.54694197863488 0.91506606254217 32.065 > 1 10 S 0.57088096858770 0.54694197863488 0.91506606254217 32.065 > 1 11 S 0.07088096858770 0.88027531196821 0.91506606254217 32.065 > 1 12 S 0.57088096858770 0.88027531196821 0.91506606254217 32.065 > 1 13 S 0.42911903141230 0.11972468803179 0.08493393745783 32.065 > 13 14 S 0.92911903141230 0.11972468803179 0.08493393745783 32.065 > 13 15 S 0.42911903141230 0.45305802136512 0.08493393745783 32.065 > 13 16 S 0.92911903141230 0.45305802136512 0.08493393745783 32.065 > 13 17 S 0.42911903141230 0.78639135469845 0.08493393745783 32.065 > 13 18 S 0.92911903141230 0.78639135469845 0.08493393745783 32.065 > 13 19 S 0.42911903141230 0.11972468803179 0.58493393745783 32.065 > 13 20 S 0.92911903141230 0.11972468803179 0.58493393745783 32.065 > 13 21 S 0.42911903141230 0.45305802136512 0.58493393745783 32.065 > 13 22 S 0.92911903141230 0.45305802136512 0.58493393745783 32.065 > 13 23 S 0.42911903141230 0.78639135469845 0.58493393745783 32.065 > 13 24 S 0.92911903141230 0.78639135469845 0.58493393745783 32.065 > 13 25 S 0.42911903141230 0.04694197863488 0.33493393745783 32.065 > 25 26 S 0.92911903141230 0.04694197863488 0.33493393745783 32.065 > 25 27 S 0.42911903141230 0.38027531196821 0.33493393745783 32.065 > 25 28 S 0.92911903141230 0.38027531196821 0.33493393745783 32.065 > 25 29 S 0.42911903141230 0.71360864530155 0.33493393745783 32.065 > 25 30 S 0.92911903141230 0.71360864530155 0.33493393745783 32.065 > 25 31 S 0.42911903141230 0.04694197863488 0.83493393745783 32.065 > 25 32 S 0.92911903141230 0.04694197863488 0.83493393745783 32.065 > 25 33 S 0.42911903141230 0.38027531196821 0.83493393745783 32.065 > 25 34 S 0.92911903141230 0.38027531196821 0.83493393745783 32.065 > 25 35 S 0.42911903141230 0.71360864530155 0.83493393745783 32.065 > 25 36 S 0.92911903141230 0.71360864530155 0.83493393745783 32.065 > 25 37 S 0.07088096858770 0.28639135469845 0.16506606254217 32.065 > 37 38 S 0.57088096858770 0.28639135469845 0.16506606254217 32.065 > 37 39 S 0.07088096858770 0.61972468803179 0.16506606254217 32.065 > 37 40 S 0.57088096858770 0.61972468803179 0.16506606254217 32.065 > 37 41 S 0.07088096858770 0.95305802136512 0.16506606254217 32.065 > 37 42 S 0.57088096858770 0.95305802136512 0.16506606254217 32.065 > 37 43 S 0.07088096858770 0.28639135469845 0.66506606254217 32.065 > 37 44 S 0.57088096858770 0.28639135469845 0.66506606254217 32.065 > 37 45 S 0.07088096858770 0.61972468803179 0.66506606254217 32.065 > 37 46 S 0.57088096858770 0.61972468803179 0.66506606254217 32.065 > 37 47 S 0.07088096858770 0.95305802136512 0.66506606254217 32.065 > 37 48 S 0.57088096858770 0.95305802136512 0.66506606254217 32.065 > 37 49 Fe 0.40124332960487 0.00607707111672 0.15147274043991 55.845 > 49 50 Fe 0.90124332960487 0.00607707111672 0.15147274043991 55.845 > 49 51 Fe 0.40124332960487 0.33941040445006 0.15147274043991 55.845 > 49 52 Fe 0.90124332960487 0.33941040445006 0.15147274043991 55.845 > 49 53 Fe 0.40124332960487 0.67274373778339 0.15147274043991 55.845 > 49 54 Fe 0.90124332960487 0.67274373778339 0.15147274043991 55.845 > 49 55 Fe 0.40124332960487 0.00607707111672 0.65147274043991 55.845 > 49 56 Fe 0.90124332960487 0.00607707111672 0.65147274043991 55.845 > 49 57 Fe 0.40124332960487 0.33941040445006 0.65147274043991 55.845 > 49 58 Fe 0.90124332960487 0.33941040445006 0.65147274043991 55.845 > 49 59 Fe 0.40124332960487 0.67274373778339 0.65147274043991 55.845 > 49 60 Fe 0.90124332960487 0.67274373778339 0.65147274043991 55.845 > 49 61 Fe 0.40124332960487 0.16058959554994 0.40147274043991 55.845 > 61 62 Fe 0.90124332960487 0.16058959554994 0.40147274043991 55.845 > 61 63 Fe 0.40124332960487 0.49392292888328 0.40147274043991 55.845 > 61 64 Fe 0.90124332960487 0.49392292888328 0.40147274043991 55.845 > 61 65 Fe 0.40124332960487 0.82725626221661 0.40147274043991 55.845 > 61 66 Fe 0.90124332960487 0.82725626221661 0.40147274043991 55.845 > 61 67 Fe 0.40124332960487 0.16058959554994 0.90147274043991 55.845 > 61 68 Fe 0.90124332960487 0.16058959554994 0.90147274043991 55.845 > 61 69 Fe 0.40124332960487 0.49392292888328 0.90147274043991 55.845 > 61 70 Fe 0.90124332960487 0.49392292888328 0.90147274043991 55.845 > 61 71 Fe 0.40124332960487 0.82725626221661 0.90147274043991 55.845 > 61 72 Fe 0.90124332960487 0.82725626221661 0.90147274043991 55.845 > 61 73 Fe 0.09875667039513 0.32725626221661 0.34852725956009 55.845 > 73 74 Fe 0.59875667039513 0.32725626221661 0.34852725956009 55.845 > 73 75 Fe 0.09875667039513 0.66058959554994 0.34852725956009 55.845 > 73 76 Fe 0.59875667039513 0.66058959554994 0.34852725956009 55.845 > 73 77 Fe 0.09875667039513 0.99392292888327 0.34852725956009 55.845 > 73 78 Fe 0.59875667039513 0.99392292888327 0.34852725956009 55.845 > 73 79 Fe 0.09875667039513 0.32725626221661 0.84852725956009 55.845 > 73 80 Fe 0.59875667039513 0.32725626221661 0.84852725956009 55.845 > 73 81 Fe 0.09875667039513 0.66058959554994 0.84852725956009 55.845 > 73 82 Fe 0.59875667039513 0.66058959554994 0.84852725956009 55.845 > 73 83 Fe 0.09875667039513 0.99392292888327 0.84852725956009 55.845 > 73 84 Fe 0.59875667039513 0.99392292888327 0.84852725956009 55.845 > 73 85 Fe 0.09875667039513 0.17274373778339 0.09852725956009 55.845 > 85 86 Fe 0.59875667039513 0.17274373778339 0.09852725956009 55.845 > 85 87 Fe 0.09875667039513 0.50607707111672 0.09852725956009 55.845 > 85 88 Fe 0.59875667039513 0.50607707111672 0.09852725956009 55.845 > 85 89 Fe 0.09875667039513 0.83941040445006 0.09852725956009 55.845 > 85 90 Fe 0.59875667039513 0.83941040445006 0.09852725956009 55.845 > 85 91 Fe 0.09875667039513 0.17274373778339 0.59852725956009 55.845 > 85 92 Fe 0.59875667039513 0.17274373778339 0.59852725956009 55.845 > 85 93 Fe 0.09875667039513 0.50607707111672 0.59852725956009 55.845 > 85 94 Fe 0.59875667039513 0.50607707111672 0.59852725956009 55.845 > 85 95 Fe 0.09875667039513 0.83941040445006 0.59852725956009 55.845 > 85 96 Fe 0.59875667039513 0.83941040445006 0.59852725956009 55.845 > 85 97 Sb 0.32366594505657 0.21120387390389 0.18434671466849 121.760 > 97 98 Sb 0.82366594505657 0.21120387390389 0.18434671466849 121.760 > 97 99 Sb 0.32366594505657 0.54453720723723 0.18434671466849 121.760 > 97 100 Sb 0.82366594505657 0.54453720723723 0.18434671466849 121.760 > 97 101 Sb 0.32366594505657 0.87787054057056 0.18434671466849 121.760 > 97 102 Sb 0.82366594505657 0.87787054057056 0.18434671466849 121.760 > 97 103 Sb 0.32366594505657 0.21120387390389 0.68434671466849 121.760 > 97 104 Sb 0.82366594505657 0.21120387390389 0.68434671466849 121.760 > 97 105 Sb 0.32366594505657 0.54453720723723 0.68434671466849 121.760 > 97 106 Sb 0.82366594505657 0.54453720723723 0.68434671466849 121.760 > 97 107 Sb 0.32366594505657 0.87787054057056 0.68434671466849 121.760 > 97 108 Sb 0.82366594505657 0.87787054057056 0.68434671466849 121.760 > 97 109 Sb 0.17633405494343 0.12212945942944 0.31565328533151 121.760 > 109 110 Sb 0.67633405494343 0.12212945942944 0.31565328533151 121.760 > 109 111 Sb 0.17633405494343 0.45546279276277 0.31565328533151 121.760 > 109 112 Sb 0.67633405494343 0.45546279276277 0.31565328533151 121.760 > 109 113 Sb 0.17633405494343 0.78879612609611 0.31565328533151 121.760 > 109 114 Sb 0.67633405494343 0.78879612609611 0.31565328533151 121.760 > 109 115 Sb 0.17633405494343 0.12212945942944 0.81565328533151 121.760 > 109 116 Sb 0.67633405494343 0.12212945942944 0.81565328533151 121.760 > 109 117 Sb 0.17633405494343 0.45546279276277 0.81565328533151 121.760 > 109 118 Sb 0.67633405494343 0.45546279276277 0.81565328533151 121.760 > 109 119 Sb 0.17633405494343 0.78879612609611 0.81565328533151 121.760 > 109 120 Sb 0.67633405494343 0.78879612609611 0.81565328533151 121.760 > 109 121 Sb 0.32366594505657 0.28879612609611 0.43434671466849 121.760 > 121 122 Sb 0.82366594505657 0.28879612609611 0.43434671466849 121.760 > 121 123 Sb 0.32366594505657 0.62212945942944 0.43434671466849 121.760 > 121 124 Sb 0.82366594505657 0.62212945942944 0.43434671466849 121.760 > 121 125 Sb 0.32366594505657 0.95546279276277 0.43434671466849 121.760 > 121 126 Sb 0.82366594505657 0.95546279276277 0.43434671466849 121.760 > 121 127 Sb 0.32366594505657 0.28879612609611 0.93434671466849 121.760 > 121 128 Sb 0.82366594505657 0.28879612609611 0.93434671466849 121.760 > 121 129 Sb 0.32366594505657 0.62212945942944 0.93434671466849 121.760 > 121 130 Sb 0.82366594505657 0.62212945942944 0.93434671466849 121.760 > 121 131 Sb 0.32366594505657 0.95546279276277 0.93434671466849 121.760 > 121 132 Sb 0.82366594505657 0.95546279276277 0.93434671466849 121.760 > 121 133 Sb 0.17633405494343 0.04453720723723 0.06565328533151 121.760 > 133 134 Sb 0.67633405494343 0.04453720723723 0.06565328533151 121.760 > 133 135 Sb 0.17633405494343 0.37787054057056 0.06565328533151 121.760 > 133 136 Sb 0.67633405494343 0.37787054057056 0.06565328533151 121.760 > 133 137 Sb 0.17633405494343 0.71120387390389 0.06565328533151 121.760 > 133 138 Sb 0.67633405494343 0.71120387390389 0.06565328533151 121.760 > 133 139 Sb 0.17633405494343 0.04453720723723 0.56565328533151 121.760 > 133 140 Sb 0.67633405494343 0.04453720723723 0.56565328533151 121.760 > 133 141 Sb 0.17633405494343 0.37787054057056 0.56565328533151 121.760 > 133 142 Sb 0.67633405494343 0.37787054057056 0.56565328533151 121.760 > 133 143 Sb 0.17633405494343 0.71120387390389 0.56565328533151 121.760 > 133 144 Sb 0.67633405494343 0.71120387390389 0.56565328533151 121.760 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 25.5304034 0.0000000 -0.7701843 0.0000000 28.9152861 0.0000000 -0.7701833 0.0000000 24.1781560 -------------------------- Born effective charges -------------------------- 1 S 2.8692829 0.1235172 -0.2552150 0.1301392 2.7623745 -0.3838416 0.1931871 -0.3012525 2.5780468 2 S 2.8692829 0.1235172 -0.2552150 0.1301392 2.7623745 -0.3838416 0.1931871 -0.3012525 2.5780468 3 S 2.8692829 -0.1235172 -0.2552150 -0.1301392 2.7623745 0.3838416 0.1931871 0.3012525 2.5780468 4 S 2.8692829 -0.1235172 -0.2552150 -0.1301392 2.7623745 0.3838416 0.1931871 0.3012525 2.5780468 5 Fe -6.5960868 0.4317743 0.0926035 0.4215025 -6.4990337 -0.6111330 0.0317861 -0.1978000 -6.5238963 6 Fe -6.5960868 -0.4317743 0.0926035 -0.4215025 -6.4990337 0.6111330 0.0317861 0.1978000 -6.5238963 7 Fe -6.5960868 0.4317743 0.0926035 0.4215025 -6.4990337 -0.6111330 0.0317861 -0.1978000 -6.5238963 8 Fe -6.5960868 -0.4317743 0.0926035 -0.4215025 -6.4990337 0.6111330 0.0317861 0.1978000 -6.5238963 9 Sb 3.7268039 0.3082889 0.1626115 -0.0437608 3.7366593 0.0957641 -0.2249732 -0.2180310 3.9458495 10 Sb 3.7268039 0.3082889 0.1626115 -0.0437608 3.7366593 0.0957641 -0.2249732 -0.2180310 3.9458495 11 Sb 3.7268039 -0.3082889 0.1626115 0.0437608 3.7366593 -0.0957641 -0.2249732 0.2180310 3.9458495 12 Sb 3.7268039 -0.3082889 0.1626115 0.0437608 3.7366593 -0.0957641 -0.2249732 0.2180310 3.9458495 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) Max drift of fc2: 0.00000000 (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: 0.72, Number of G-points: 301, Lambda: 0.38 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/205) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 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 3.175 ( 0.000 0.000 0.000) 0.000 3.459 ( 0.000 0.000 0.000) 0.000 4.059 ( 0.000 0.000 0.000) 0.000 4.265 ( 0.000 0.000 0.000) 0.000 4.364 ( 0.000 0.000 0.000) 0.000 4.427 ( 0.000 0.000 0.000) 0.000 4.899 ( 0.000 0.000 0.000) 0.000 5.093 ( 0.000 0.000 0.000) 0.000 5.262 ( 0.000 0.000 0.000) 0.000 5.964 ( 0.000 0.000 0.000) 0.000 6.501 ( 0.000 0.000 0.000) 0.000 6.926 ( 0.000 0.000 0.000) 0.000 6.953 ( 0.000 0.000 0.000) 0.000 7.195 ( 0.000 0.000 0.000) 0.000 7.375 ( 0.000 0.000 0.000) 0.000 7.648 ( 0.000 0.000 0.000) 0.000 7.794 ( 0.000 0.000 0.000) 0.000 8.002 ( 0.000 0.000 0.000) 0.000 8.343 ( 0.000 0.000 0.000) 0.000 9.507 ( 0.000 0.000 0.000) 0.000 9.801 ( 0.000 0.000 0.000) 0.000 9.890 ( 0.000 0.000 0.000) 0.000 10.086 ( 0.000 0.000 0.000) 0.000 10.114 ( 0.000 0.000 0.000) 0.000 10.205 ( 0.000 0.000 0.000) 0.000 10.238 ( 0.000 0.000 0.000) 0.000 10.249 ( 0.000 0.000 0.000) 0.000 10.712 ( 0.000 0.000 0.000) 0.000 10.762 ( 0.000 0.000 0.000) 0.000 11.751 ( 0.000 0.000 0.000) 0.000 12.566 ( 0.000 0.000 0.000) 0.000 12.726 ( 0.000 0.000 0.000) 0.000 12.852 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/205) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 28.945 0.000 16.813) 33.473 0.750 ( 37.322 0.000 5.787) 37.768 1.263 ( 57.356 0.000 22.539) 61.626 3.184 ( 0.991 0.000 -0.357) 1.054 3.479 ( 2.915 0.000 -2.857) 4.082 4.062 ( -0.184 0.000 0.782) 0.804 4.231 ( -1.688 0.000 -4.490) 4.797 4.354 ( -0.466 0.000 -0.163) 0.494 4.466 ( 2.200 0.000 3.778) 4.372 4.884 ( -2.200 0.000 1.723) 2.794 5.108 ( -0.867 0.000 -1.336) 1.592 5.245 ( -1.426 0.000 -1.024) 1.756 5.958 ( 1.346 0.000 -5.471) 5.634 6.475 ( -1.888 0.000 -1.645) 2.504 6.953 ( 2.397 0.000 0.636) 2.480 7.200 ( -0.597 0.000 2.725) 2.789 7.416 ( 3.633 0.000 1.508) 3.934 7.557 ( -9.232 0.000 -5.840) 10.924 7.668 ( 0.401 0.000 -1.590) 1.640 7.815 ( 2.311 0.000 -0.216) 2.321 8.052 ( 3.550 0.000 3.145) 4.742 8.363 ( 1.187 0.000 -1.128) 1.638 9.500 ( -0.426 0.000 -0.659) 0.785 9.777 ( -0.396 0.000 -5.908) 5.921 9.899 ( 0.931 0.000 -0.091) 0.936 10.024 ( -3.987 0.000 -2.512) 4.712 10.105 ( -0.927 0.000 1.449) 1.720 10.196 ( -2.899 0.000 4.177) 5.085 10.279 ( 1.419 0.000 2.214) 2.630 10.315 ( 4.955 0.000 -4.204) 6.498 10.765 ( 0.575 0.000 -0.652) 0.869 11.215 ( -22.229 0.000 53.253) 57.706 11.761 ( 0.886 0.000 0.280) 0.929 12.569 ( -0.207 0.000 1.239) 1.256 12.841 ( -0.129 0.000 -2.500) 2.503 13.443 ( 13.107 0.000 -34.516) 36.921 ======================= Grid point 2 (3/205) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 26.867 0.000 15.944) 31.242 1.470 ( 34.835 0.000 5.875) 35.327 2.464 ( 52.016 0.000 21.351) 56.228 3.195 ( 0.861 0.000 -1.218) 1.491 3.491 ( 0.296 0.000 -4.243) 4.253 4.067 ( 0.622 0.000 0.117) 0.633 4.141 ( -2.446 0.000 -7.652) 8.033 4.350 ( -0.082 0.000 0.190) 0.207 4.560 ( 3.246 0.000 6.457) 7.227 4.852 ( -2.941 0.000 2.649) 3.958 5.071 ( -2.648 0.000 0.362) 2.673 5.193 ( -2.748 0.000 -2.251) 3.552 5.938 ( 0.754 0.000 -4.331) 4.396 6.422 ( -1.504 0.000 -2.537) 2.949 7.004 ( 1.570 0.000 -0.783) 1.754 7.216 ( -0.518 0.000 3.964) 3.998 7.238 ( -17.603 0.000 -8.069) 19.364 7.522 ( 5.242 0.000 3.203) 6.143 7.673 ( 0.527 0.000 0.713) 0.887 7.874 ( 4.316 0.000 -0.728) 4.377 8.159 ( 3.845 0.000 4.708) 6.079 8.385 ( 1.746 0.000 -0.491) 1.813 9.483 ( -0.678 0.000 -0.956) 1.172 9.692 ( -1.358 0.000 -10.155) 10.245 9.917 ( 0.818 0.000 0.169) 0.835 9.939 ( -4.474 0.000 1.434) 4.698 10.117 ( 0.861 0.000 1.732) 1.934 10.152 ( -5.051 0.000 3.472) 6.130 10.327 ( 1.978 0.000 2.237) 2.987 10.372 ( 2.995 0.000 -0.969) 3.148 10.769 ( 0.535 0.000 -1.364) 1.465 11.221 ( -9.150 0.000 23.164) 24.906 11.785 ( 1.290 0.000 0.331) 1.332 12.580 ( -0.184 0.000 2.589) 2.595 12.809 ( -0.253 0.000 -4.462) 4.469 13.409 ( 4.301 0.000 -15.389) 15.978 ======================= Grid point 3 (4/205) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 23.352 0.000 14.081) 27.269 2.128 ( 30.552 0.000 5.922) 31.121 3.072 ( -4.195 0.000 -0.244) 4.202 3.389 ( -7.845 0.000 -5.014) 9.311 3.602 ( 43.344 0.000 14.731) 45.779 4.045 ( -0.463 0.000 -6.811) 6.827 4.096 ( 1.903 0.000 0.698) 2.027 4.353 ( 0.525 0.000 -0.481) 0.712 4.668 ( 2.466 0.000 6.471) 6.925 4.823 ( -2.193 0.000 2.572) 3.380 5.022 ( -2.779 0.000 0.731) 2.873 5.115 ( -2.997 0.000 -2.946) 4.202 5.921 ( 0.545 0.000 -2.930) 2.980 6.391 ( 0.236 0.000 -2.342) 2.354 6.697 ( -24.185 0.000 -12.602) 27.271 7.090 ( 0.578 0.000 1.720) 1.814 7.242 ( 0.091 0.000 3.540) 3.541 7.634 ( 3.114 0.000 3.716) 4.848 7.697 ( 1.206 0.000 0.769) 1.430 7.963 ( 6.273 0.000 -1.578) 6.468 8.242 ( 0.767 0.000 4.133) 4.203 8.415 ( 1.610 0.000 -0.248) 1.629 9.463 ( -0.595 0.000 -0.791) 0.990 9.607 ( 0.849 0.000 -8.019) 8.064 9.861 ( -6.267 0.000 2.566) 6.772 9.931 ( 0.333 0.000 0.478) 0.582 10.078 ( -4.102 0.000 1.163) 4.263 10.158 ( 2.133 0.000 0.936) 2.330 10.384 ( 2.107 0.000 2.100) 2.975 10.403 ( 0.703 0.000 0.101) 0.710 10.762 ( 0.100 0.000 -1.687) 1.690 11.235 ( -3.870 0.000 11.297) 11.942 11.810 ( 1.074 0.000 0.206) 1.094 12.604 ( 0.076 0.000 3.876) 3.877 12.764 ( -0.380 0.000 -5.462) 5.476 13.369 ( 1.292 0.000 -7.701) 7.808 ======================= Grid point 4 (5/205) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 15.937 0.000 9.432) 18.519 2.688 ( 24.240 0.000 5.805) 24.926 2.890 ( -10.132 0.000 -4.962) 11.282 3.120 ( -16.425 0.000 -5.531) 17.332 3.963 ( 0.296 0.000 -2.808) 2.823 4.129 ( 0.714 0.000 0.718) 1.013 4.360 ( 0.570 0.000 -0.522) 0.773 4.434 ( 25.045 0.000 8.895) 26.578 4.737 ( 0.789 0.000 2.847) 2.954 4.806 ( -1.596 0.000 1.319) 2.070 4.995 ( -0.285 0.000 0.944) 0.986 5.053 ( -1.272 0.000 -1.555) 2.010 5.910 ( -0.183 0.000 -1.291) 1.304 6.168 ( -18.106 0.000 -8.372) 19.948 6.387 ( 0.513 0.000 -0.986) 1.112 7.110 ( 0.277 0.000 0.654) 0.711 7.267 ( 0.263 0.000 1.474) 1.498 7.686 ( 0.449 0.000 1.582) 1.645 7.721 ( 0.700 0.000 0.282) 0.755 8.067 ( 4.921 0.000 -1.116) 5.046 8.247 ( -2.026 0.000 1.826) 2.727 8.436 ( 0.639 0.000 -0.071) 0.643 9.451 ( -0.235 0.000 -0.302) 0.382 9.618 ( 4.972 0.000 -3.655) 6.171 9.743 ( -7.453 0.000 1.987) 7.714 9.937 ( 0.083 0.000 0.257) 0.270 10.035 ( -1.117 0.000 0.136) 1.125 10.197 ( 1.202 0.000 0.208) 1.220 10.406 ( -0.210 0.000 0.193) 0.285 10.428 ( 0.969 0.000 0.980) 1.378 10.751 ( -0.092 0.000 -0.856) 0.861 11.249 ( -1.023 0.000 3.472) 3.619 11.825 ( 0.409 0.000 0.061) 0.414 12.640 ( 0.256 0.000 3.709) 3.718 12.716 ( -0.354 0.000 -4.319) 4.333 13.342 ( 0.231 0.000 -2.404) 2.415 ======================= Grid point 9 (6/205) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( 0.000 33.570 0.000) 33.570 0.829 ( 0.000 42.793 0.000) 42.793 1.270 ( 0.000 65.111 0.000) 65.111 3.212 ( 0.000 3.761 0.000) 3.761 3.497 ( 0.000 4.004 0.000) 4.004 4.000 ( 0.000 -7.987 0.000) 7.987 4.227 ( 0.000 -3.704 0.000) 3.704 4.352 ( 0.000 -1.193 0.000) 1.193 4.516 ( 0.000 1.962 0.000) 1.962 4.889 ( 0.000 -0.875 0.000) 0.875 5.080 ( 0.000 -1.473 0.000) 1.473 5.263 ( 0.000 0.114 0.000) 0.114 5.979 ( 0.000 1.427 0.000) 1.427 6.822 ( 0.000 -8.177 0.000) 8.177 6.845 ( 0.000 -8.642 0.000) 8.642 6.967 ( 0.000 1.433 0.000) 1.433 7.194 ( 0.000 -0.171 0.000) 0.171 7.555 ( 0.000 2.216 0.000) 2.216 7.722 ( 0.000 6.007 0.000) 6.007 7.847 ( 0.000 3.068 0.000) 3.068 7.929 ( 0.000 -7.300 0.000) 7.300 8.347 ( 0.000 0.345 0.000) 0.345 9.497 ( 0.000 -2.145 0.000) 2.145 9.783 ( 0.000 -2.074 0.000) 2.074 9.853 ( 0.000 -2.561 0.000) 2.561 9.984 ( 0.000 -2.136 0.000) 2.136 10.119 ( 0.000 -5.300 0.000) 5.300 10.285 ( 0.000 9.195 0.000) 9.195 10.288 ( 0.000 1.561 0.000) 1.561 10.681 ( 0.000 -1.261 0.000) 1.261 10.734 ( 0.000 3.555 0.000) 3.555 10.823 ( 0.000 4.481 0.000) 4.481 11.783 ( 0.000 3.404 0.000) 3.404 12.700 ( 0.000 -2.598 0.000) 2.598 12.865 ( 0.000 1.149 0.000) 1.149 13.222 ( 0.000 -2.150 0.000) 2.150 ======================= Grid point 10 (7/205) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 14.306 30.630 17.959) 38.280 1.149 ( 27.585 25.786 13.995) 40.271 1.709 ( 41.039 44.005 5.589) 60.431 3.217 ( 0.526 3.375 -0.099) 3.417 3.517 ( 2.950 3.837 -2.991) 5.690 4.016 ( 0.496 -6.091 1.766) 6.361 4.202 ( -1.057 -2.398 -2.330) 3.506 4.348 ( -0.003 -0.891 -0.867) 1.244 4.505 ( -0.153 2.477 0.909) 2.643 4.854 ( -2.877 -1.988 1.291) 3.728 5.074 ( -0.858 -2.282 -0.672) 2.529 5.272 ( -0.050 0.990 -0.897) 1.337 5.968 ( -0.011 1.252 -2.380) 2.689 6.552 ( -9.561 3.466 -3.533) 10.766 6.869 ( 2.221 -8.256 0.389) 8.558 7.162 ( 5.298 -12.320 -2.680) 13.676 7.205 ( -1.526 -1.478 6.881) 7.201 7.558 ( -0.998 -0.716 -1.289) 1.780 7.732 ( 0.589 6.533 1.249) 6.678 7.870 ( 2.337 3.467 -0.351) 4.196 8.006 ( 3.651 -6.471 2.147) 7.734 8.363 ( 1.799 0.706 -0.222) 1.945 9.478 ( -0.819 -3.066 -0.846) 3.285 9.760 ( -0.457 -1.543 -5.797) 6.017 9.830 ( -1.423 -3.195 1.701) 3.889 9.968 ( -2.063 -1.397 1.339) 2.829 10.104 ( -1.030 -3.248 -1.485) 3.717 10.220 ( -2.634 4.490 2.004) 5.578 10.335 ( 0.717 4.291 1.387) 4.566 10.529 ( 0.646 12.354 -7.047) 14.237 10.763 ( 0.914 0.071 -0.791) 1.211 11.077 ( -3.219 -7.093 31.726) 32.668 11.788 ( 0.814 3.181 -0.398) 3.308 12.649 ( -3.295 3.484 1.606) 5.057 12.834 ( -1.218 -0.258 -1.155) 1.698 13.309 ( 10.762 -8.336 -17.296) 22.011 ======================= Grid point 11 (8/205) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 20.930 18.585 17.782) 33.161 1.761 ( 28.632 22.654 7.539) 37.281 2.659 ( 46.487 20.466 15.564) 53.123 3.225 ( 1.026 3.102 -0.866) 3.380 3.530 ( 0.467 3.809 -4.405) 5.842 4.032 ( 0.439 -3.647 0.076) 3.674 4.154 ( -0.822 0.832 -5.249) 5.378 4.348 ( 0.555 -0.259 -0.319) 0.691 4.546 ( 2.069 -1.239 4.798) 5.370 4.816 ( -2.715 -3.020 2.530) 4.785 5.038 ( -2.292 -2.453 -0.577) 3.407 5.233 ( -2.867 2.544 -1.765) 4.220 5.948 ( 0.157 1.140 -2.826) 3.052 6.404 ( -4.726 -2.056 -2.504) 5.730 6.916 ( 1.911 -8.097 -0.613) 8.342 7.102 ( -8.933 -9.586 -5.563) 14.235 7.235 ( -0.381 0.706 5.739) 5.795 7.526 ( 0.229 0.919 -0.321) 1.000 7.763 ( 1.558 6.870 1.734) 7.254 7.922 ( 3.944 3.570 -1.171) 5.447 8.080 ( 2.163 -7.615 3.834) 8.796 8.407 ( 2.879 1.824 -0.060) 3.409 9.462 ( -0.069 -3.446 -1.379) 3.713 9.683 ( -1.316 -0.012 -8.091) 8.198 9.832 ( -0.783 -4.880 2.381) 5.486 9.938 ( -2.343 -0.035 2.082) 3.134 10.075 ( -1.361 -2.026 0.434) 2.479 10.196 ( -2.898 3.925 3.452) 5.977 10.355 ( 1.285 2.186 -0.033) 2.536 10.535 ( 2.231 11.610 -1.604) 11.931 10.771 ( 0.831 0.518 -1.466) 1.763 11.184 ( -5.111 -3.028 19.559) 20.441 11.807 ( 1.295 2.601 -0.254) 2.916 12.626 ( -1.259 3.739 2.636) 4.745 12.802 ( -0.298 -0.903 -3.868) 3.983 13.324 ( 4.183 -7.587 -12.308) 15.052 ======================= Grid point 12 (9/205) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 20.875 11.555 15.529) 28.468 2.327 ( 26.319 17.251 5.452) 31.937 3.114 ( -4.598 4.158 -0.713) 6.240 3.435 ( -6.962 4.573 -5.116) 9.775 3.677 ( 39.245 7.538 12.779) 41.956 4.028 ( 0.938 -1.388 -3.175) 3.590 4.125 ( 1.674 2.626 -1.874) 3.634 4.363 ( 1.704 1.137 -0.406) 2.088 4.637 ( 2.475 -3.145 5.745) 7.002 4.797 ( -1.617 -2.470 3.013) 4.218 4.987 ( -2.378 -2.649 -0.742) 3.636 5.151 ( -3.676 2.542 -2.282) 5.018 5.933 ( 0.279 1.284 -2.028) 2.416 6.324 ( -2.140 -6.226 -1.869) 6.844 6.689 ( -20.634 -0.300 -10.477) 23.143 7.010 ( 2.508 -8.039 0.076) 8.422 7.271 ( -0.364 1.825 4.406) 4.783 7.556 ( 1.184 -1.749 1.801) 2.775 7.816 ( 2.458 6.467 1.516) 7.082 7.996 ( 5.143 2.533 -1.771) 6.000 8.138 ( 0.650 -8.876 3.628) 9.611 8.456 ( 2.035 2.718 0.063) 3.396 9.456 ( 0.744 -1.992 -1.199) 2.441 9.613 ( 0.305 1.505 -5.987) 6.181 9.812 ( -4.003 -4.115 2.477) 6.252 9.921 ( -0.759 -0.029 1.274) 1.483 10.052 ( -1.832 -1.692 0.869) 2.641 10.172 ( -1.558 3.552 2.106) 4.413 10.383 ( 1.542 0.372 -0.245) 1.605 10.566 ( 1.481 11.464 0.259) 11.562 10.769 ( 0.312 0.831 -1.859) 2.060 11.224 ( -2.916 -1.085 10.497) 10.948 11.828 ( 1.049 2.158 -0.122) 2.402 12.637 ( -0.527 2.926 4.193) 5.140 12.761 ( -0.070 -0.304 -5.494) 5.503 13.295 ( 1.180 -7.212 -6.903) 10.053 ======================= Grid point 13 (10/205) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( 15.221 8.511 10.508) 20.360 2.811 ( 20.689 11.324 4.708) 24.050 2.935 ( -9.812 4.821 -5.404) 12.195 3.197 ( -13.932 7.508 -4.806) 16.540 3.959 ( 0.019 -0.404 -2.073) 2.112 4.154 ( 1.378 2.359 -0.036) 2.732 4.286 ( 5.490 -4.929 2.279) 7.722 4.526 ( 16.676 6.189 5.443) 18.602 4.700 ( 0.483 -3.585 1.640) 3.972 4.800 ( -0.606 -0.670 2.278) 2.451 4.950 ( -0.715 -3.428 -0.602) 3.553 5.094 ( -0.374 3.432 -0.470) 3.484 5.924 ( -0.168 1.548 -0.851) 1.774 6.223 ( -15.945 5.754 -6.967) 18.327 6.292 ( -0.687 -8.817 -1.065) 8.907 7.058 ( 1.824 -6.861 -0.156) 7.101 7.286 ( -0.581 1.734 1.919) 2.651 7.579 ( 0.142 -2.319 0.919) 2.498 7.862 ( 1.167 6.235 0.642) 6.376 8.075 ( 4.049 0.691 -1.605) 4.410 8.153 ( -1.369 -8.392 2.133) 8.767 8.478 ( 0.400 2.976 -0.090) 3.004 9.469 ( 0.666 0.781 -0.057) 1.028 9.616 ( 3.890 0.217 -3.164) 5.019 9.725 ( -6.189 -1.443 1.879) 6.627 9.924 ( 0.075 -0.657 0.347) 0.747 10.028 ( -0.898 -0.577 0.271) 1.101 10.171 ( -0.072 1.352 0.705) 1.526 10.402 ( 0.583 -0.261 -0.098) 0.647 10.589 ( 0.559 11.729 0.480) 11.752 10.758 ( -0.026 0.839 -0.995) 1.301 11.243 ( -0.864 -0.587 3.334) 3.493 11.841 ( 0.392 1.916 -0.042) 1.956 12.669 ( -0.140 2.271 5.383) 5.845 12.715 ( -0.013 0.402 -5.916) 5.929 13.270 ( 0.180 -7.249 -2.220) 7.583 ======================= Grid point 18 (11/205) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 0.000 32.893 0.000) 32.893 1.615 ( 0.000 39.312 0.000) 39.312 2.446 ( 0.000 57.323 0.000) 57.323 3.308 ( 0.000 5.878 0.000) 5.878 3.605 ( 0.000 7.109 0.000) 7.109 3.780 ( 0.000 -14.940 0.000) 14.940 4.137 ( 0.000 -5.196 0.000) 5.196 4.320 ( 0.000 -2.113 0.000) 2.113 4.540 ( 0.000 -0.416 0.000) 0.416 4.885 ( 0.000 1.228 0.000) 1.228 5.033 ( 0.000 -3.426 0.000) 3.426 5.266 ( 0.000 0.119 0.000) 0.119 6.010 ( 0.000 1.647 0.000) 1.647 6.593 ( 0.000 -14.379 0.000) 14.379 6.683 ( 0.000 -7.950 0.000) 7.950 6.994 ( 0.000 0.505 0.000) 0.505 7.188 ( 0.000 -0.247 0.000) 0.247 7.596 ( 0.000 1.309 0.000) 1.309 7.754 ( 0.000 -9.792 0.000) 9.792 7.843 ( 0.000 4.278 0.000) 4.278 7.917 ( 0.000 5.594 0.000) 5.594 8.354 ( 0.000 0.332 0.000) 0.332 9.403 ( 0.000 -6.517 0.000) 6.517 9.716 ( 0.000 -5.078 0.000) 5.078 9.873 ( 0.000 4.448 0.000) 4.448 9.975 ( 0.000 0.260 0.000) 0.260 10.031 ( 0.000 -3.639 0.000) 3.639 10.284 ( 0.000 -1.707 0.000) 1.707 10.440 ( 0.000 7.034 0.000) 7.034 10.678 ( 0.000 0.727 0.000) 0.727 10.821 ( 0.000 5.148 0.000) 5.148 10.909 ( 0.000 4.265 0.000) 4.265 11.882 ( 0.000 6.857 0.000) 6.857 12.632 ( 0.000 -4.425 0.000) 4.425 12.888 ( 0.000 1.190 0.000) 1.190 13.164 ( 0.000 -3.833 0.000) 3.833 ======================= Grid point 19 (12/205) ======================= q-point: ( 0.11 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 18.163 27.377 15.509) 36.331 1.737 ( 10.329 34.907 9.964) 37.742 2.653 ( 21.325 49.832 0.256) 54.203 3.306 ( -0.219 5.727 0.311) 5.740 3.611 ( 2.337 5.016 -3.706) 6.660 3.836 ( 3.012 -11.749 4.611) 12.976 4.141 ( 0.749 -3.694 -0.620) 3.820 4.322 ( 0.646 -1.732 -0.725) 1.986 4.529 ( -0.723 -0.519 -0.651) 1.103 4.838 ( -4.085 0.962 0.221) 4.203 5.023 ( -0.522 -3.210 -1.667) 3.655 5.277 ( 0.604 -0.289 -0.319) 0.742 5.998 ( -0.904 1.561 -0.589) 1.898 6.516 ( -7.823 -7.000 -1.912) 10.671 6.672 ( 1.369 -11.017 -0.305) 11.106 7.020 ( 0.551 -2.835 1.193) 3.125 7.209 ( 1.290 0.844 1.954) 2.488 7.537 ( -2.109 -2.296 -1.455) 3.441 7.826 ( 5.204 -6.295 -3.605) 8.928 7.874 ( -1.058 2.466 8.319) 8.740 7.936 ( 2.166 4.232 -0.022) 4.755 8.379 ( 2.638 0.597 -0.401) 2.734 9.378 ( -1.321 -6.007 -1.187) 6.264 9.705 ( -0.463 -4.630 -1.620) 4.927 9.852 ( -1.695 4.790 -0.153) 5.083 9.961 ( -1.747 0.152 1.848) 2.548 10.041 ( 0.866 -2.618 -0.894) 2.899 10.274 ( -0.736 0.379 0.495) 0.965 10.432 ( -1.284 5.822 0.839) 6.020 10.677 ( 1.358 3.093 -2.226) 4.046 10.806 ( 1.308 5.202 -3.027) 6.159 11.017 ( 1.548 -0.247 14.517) 14.602 11.884 ( 0.460 6.813 -0.377) 6.839 12.646 ( 1.681 -3.197 -0.741) 3.687 12.844 ( -4.048 1.182 0.737) 4.281 13.180 ( 3.685 -5.736 -7.054) 9.810 ======================= Grid point 20 (13/205) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 13.015 27.920 15.756) 34.600 2.193 ( 23.593 22.291 11.679) 34.495 3.161 ( 21.778 24.904 6.171) 33.654 3.331 ( 8.983 11.432 0.101) 14.540 3.619 ( 0.858 4.781 -4.133) 6.377 3.925 ( 2.799 -7.359 3.028) 8.435 4.159 ( 2.258 0.051 -1.950) 2.984 4.341 ( 2.010 -0.388 -0.565) 2.123 4.518 ( 0.046 -1.980 0.926) 2.186 4.772 ( -3.333 -0.651 1.834) 3.860 4.987 ( -1.560 -2.886 -2.288) 4.000 5.260 ( -1.919 0.286 -1.455) 2.426 5.977 ( -0.630 1.551 -0.708) 1.818 6.338 ( -8.402 -4.458 -2.073) 9.735 6.719 ( 3.523 -12.223 -0.717) 12.741 6.974 ( -6.395 -2.916 -1.848) 7.267 7.259 ( 1.366 2.209 4.075) 4.832 7.521 ( 1.252 -2.963 -1.435) 3.522 7.877 ( 3.076 -8.331 -2.897) 9.341 7.895 ( -2.168 4.579 6.794) 8.475 7.996 ( 3.722 1.958 0.285) 4.215 8.435 ( 3.412 0.749 -0.250) 3.503 9.361 ( 0.567 -5.242 -0.839) 5.339 9.675 ( -1.004 -2.743 -2.262) 3.694 9.822 ( -1.637 4.358 0.627) 4.697 9.945 ( -1.518 0.736 1.943) 2.573 10.041 ( -0.259 -1.381 -0.272) 1.431 10.273 ( -0.867 2.733 2.673) 3.920 10.407 ( -1.259 3.741 -0.627) 3.996 10.699 ( 2.237 4.206 -1.096) 4.888 10.816 ( 1.541 5.213 -2.254) 5.885 11.135 ( -0.666 -1.814 12.958) 13.101 11.893 ( 0.818 6.492 -0.518) 6.564 12.676 ( 1.377 0.200 0.460) 1.465 12.777 ( -2.522 -0.966 -1.203) 2.957 13.170 ( 1.548 -7.756 -7.797) 11.106 ======================= Grid point 21 (14/205) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 14.895 21.238 14.905) 29.917 2.682 ( 20.846 18.806 6.540) 28.827 3.217 ( -4.411 6.166 -0.586) 7.604 3.545 ( -5.133 6.467 -4.734) 9.518 3.829 ( 19.925 5.341 5.847) 21.441 4.005 ( 6.522 -0.544 1.730) 6.769 4.192 ( 3.006 4.531 -1.343) 5.601 4.395 ( 5.052 1.680 0.303) 5.333 4.565 ( 3.258 -3.492 2.803) 5.537 4.754 ( -0.577 -0.979 3.430) 3.613 4.935 ( -1.888 -2.762 -2.488) 4.169 5.196 ( -2.400 2.428 -1.958) 3.935 5.967 ( 0.062 1.919 -0.384) 1.958 6.191 ( -5.643 -6.301 -1.640) 8.616 6.712 ( -12.083 2.088 -6.028) 13.664 6.807 ( 0.751 -11.357 -0.826) 11.412 7.311 ( 0.380 2.916 4.182) 5.113 7.548 ( 2.208 -1.552 -0.865) 2.835 7.898 ( -1.745 -8.961 7.103) 11.567 7.924 ( 3.256 0.588 -4.094) 5.263 8.065 ( 3.363 1.927 -0.092) 3.878 8.491 ( 2.462 0.717 -0.114) 2.567 9.388 ( 2.663 -3.480 0.092) 4.383 9.641 ( -0.870 -0.756 -1.629) 1.996 9.794 ( -2.276 3.940 1.018) 4.662 9.936 ( -0.745 1.420 1.258) 2.038 10.030 ( -0.828 -0.722 0.241) 1.125 10.272 ( -1.803 5.704 3.068) 6.723 10.387 ( 0.178 0.369 -1.613) 1.664 10.735 ( 1.844 4.036 0.275) 4.446 10.820 ( 0.865 6.182 -2.542) 6.740 11.199 ( -1.184 -1.404 8.328) 8.528 11.904 ( 0.707 6.011 -0.412) 6.067 12.692 ( -1.736 2.513 3.687) 4.788 12.745 ( 1.689 -1.917 -4.380) 5.071 13.126 ( -0.321 -9.556 -5.509) 11.035 ======================= Grid point 22 (15/205) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( 12.425 15.861 10.665) 22.797 3.060 ( 14.133 13.878 2.805) 20.005 3.068 ( -7.760 8.811 -4.297) 12.503 3.369 ( -9.308 9.548 -3.746) 13.850 3.949 ( 0.536 -0.697 -0.643) 1.089 4.180 ( 5.641 -2.775 -0.858) 6.344 4.231 ( -0.837 2.393 2.190) 3.350 4.552 ( 4.950 -5.387 4.779) 8.738 4.646 ( 3.368 -2.221 -0.499) 4.066 4.795 ( 1.309 0.752 2.082) 2.572 4.883 ( -1.329 -3.522 -2.413) 4.471 5.207 ( 4.218 9.188 1.044) 10.164 5.970 ( 0.219 3.113 -0.038) 3.120 6.108 ( -2.052 -8.316 -0.781) 8.601 6.387 ( -11.888 10.910 -4.806) 16.836 6.850 ( 1.800 -13.580 -0.264) 13.701 7.335 ( -0.219 3.572 1.770) 3.993 7.575 ( 0.900 -0.548 -0.158) 1.066 7.925 ( -1.524 -8.256 6.938) 10.891 7.940 ( 2.510 -3.987 -5.861) 7.519 8.111 ( 1.465 2.166 -0.162) 2.620 8.519 ( 0.691 1.050 -0.121) 1.262 9.448 ( 2.435 -1.986 0.681) 3.215 9.618 ( -0.525 -1.104 -0.854) 1.491 9.755 ( -1.926 5.744 0.455) 6.075 9.936 ( -0.075 1.753 0.372) 1.794 10.018 ( -0.494 -0.401 0.175) 0.660 10.260 ( -0.902 7.052 1.089) 7.192 10.385 ( 0.345 -1.666 -0.612) 1.808 10.768 ( 0.873 2.276 1.099) 2.675 10.809 ( 0.063 8.504 -1.960) 8.727 11.227 ( -0.495 -1.131 2.853) 3.109 11.911 ( 0.265 5.678 -0.156) 5.686 12.681 ( -1.053 -0.581 1.413) 1.856 12.755 ( 1.247 2.738 -1.659) 3.436 13.087 ( -0.437 -11.344 -1.973) 11.523 ======================= Grid point 27 (16/205) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 0.000 31.472 0.000) 31.472 2.311 ( 0.000 33.474 0.000) 33.474 3.298 ( 0.000 14.464 0.000) 14.464 3.433 ( 0.000 -15.166 0.000) 15.166 3.495 ( 0.000 20.402 0.000) 20.402 3.754 ( 0.000 7.946 0.000) 7.946 4.080 ( 0.000 2.424 0.000) 2.424 4.273 ( 0.000 -2.683 0.000) 2.683 4.483 ( 0.000 -5.137 0.000) 5.137 4.946 ( 0.000 -5.974 0.000) 5.974 4.954 ( 0.000 5.884 0.000) 5.884 5.260 ( 0.000 -0.959 0.000) 0.959 6.034 ( 0.000 0.793 0.000) 0.793 6.324 ( 0.000 -13.067 0.000) 13.067 6.555 ( 0.000 -4.867 0.000) 4.867 6.911 ( 0.000 -10.413 0.000) 10.413 7.226 ( 0.000 5.394 0.000) 5.394 7.597 ( 0.000 -1.229 0.000) 1.229 7.618 ( 0.000 -3.440 0.000) 3.440 7.820 ( 0.000 -5.210 0.000) 5.210 8.080 ( 0.000 9.330 0.000) 9.330 8.354 ( 0.000 -0.549 0.000) 0.549 9.312 ( 0.000 -2.049 0.000) 2.049 9.594 ( 0.000 -7.374 0.000) 7.374 9.970 ( 0.000 2.201 0.000) 2.201 9.982 ( 0.000 -1.592 0.000) 1.592 9.990 ( 0.000 3.916 0.000) 3.916 10.237 ( 0.000 -2.981 0.000) 2.981 10.556 ( 0.000 5.230 0.000) 5.230 10.694 ( 0.000 0.559 0.000) 0.559 10.916 ( 0.000 4.484 0.000) 4.484 10.976 ( 0.000 2.624 0.000) 2.624 12.038 ( 0.000 9.266 0.000) 9.266 12.531 ( 0.000 -6.279 0.000) 6.279 12.911 ( 0.000 1.304 0.000) 1.304 13.083 ( 0.000 -4.488 0.000) 4.488 ======================= Grid point 28 (17/205) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 14.636 27.542 11.371) 33.197 2.382 ( 5.120 31.732 6.237) 32.742 3.332 ( 1.791 7.049 1.384) 7.404 3.489 ( 4.033 -17.780 2.332) 18.380 3.541 ( 6.364 27.134 0.079) 27.871 3.782 ( 2.084 5.890 1.029) 6.332 4.114 ( 3.459 4.088 0.263) 5.361 4.288 ( 2.056 -1.249 -0.387) 2.436 4.473 ( -0.503 -4.877 -1.105) 5.026 4.886 ( -4.382 0.902 -0.471) 4.498 4.965 ( 0.920 -0.158 -2.945) 3.090 5.263 ( 0.128 -1.314 -0.172) 1.331 6.019 ( -1.166 0.724 -0.334) 1.413 6.336 ( 0.951 -10.341 -1.039) 10.436 6.506 ( -3.870 -5.550 -0.613) 6.793 6.929 ( 0.341 -9.740 2.206) 9.993 7.251 ( 2.399 4.591 0.470) 5.201 7.491 ( -5.006 -0.996 -0.617) 5.141 7.701 ( 3.087 -4.807 -0.042) 5.713 7.848 ( 1.694 -5.314 1.988) 5.921 8.086 ( 0.114 9.074 1.305) 9.168 8.377 ( 2.398 -0.936 -0.313) 2.593 9.302 ( -0.434 -1.186 -0.260) 1.290 9.592 ( -0.273 -6.972 0.153) 6.979 9.956 ( -1.244 3.420 -0.074) 3.640 9.967 ( -0.639 1.478 0.911) 1.850 10.016 ( 1.405 0.643 -0.504) 1.625 10.248 ( 0.895 -2.636 0.537) 2.835 10.541 ( -1.556 5.382 0.175) 5.605 10.702 ( 0.929 0.286 -0.192) 0.991 10.915 ( 1.427 5.299 -2.135) 5.888 11.029 ( 1.443 0.818 7.096) 7.287 12.041 ( 0.443 9.359 -0.335) 9.376 12.551 ( 2.526 -6.494 -1.038) 7.045 12.872 ( -3.869 1.764 0.455) 4.277 13.077 ( 0.486 -5.161 -3.411) 6.206 ======================= Grid point 29 (18/205) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 12.460 25.278 12.705) 30.914 2.629 ( 15.627 23.597 10.274) 30.110 3.352 ( -0.950 3.199 1.839) 3.810 3.605 ( 6.001 -9.076 1.511) 10.985 3.716 ( 8.820 14.464 1.913) 17.049 3.834 ( 2.816 0.924 3.096) 4.286 4.200 ( 4.476 4.765 0.761) 6.581 4.356 ( 5.865 4.236 -1.693) 7.430 4.455 ( 0.163 -4.515 -0.756) 4.581 4.799 ( -3.604 1.513 -0.745) 3.979 4.945 ( -0.301 0.343 -3.317) 3.348 5.254 ( -0.665 -0.915 -0.964) 1.486 5.997 ( -0.503 0.961 -0.963) 1.450 6.283 ( -5.960 -0.001 -0.630) 5.993 6.482 ( 2.694 -11.750 -1.226) 12.117 6.925 ( -3.184 -5.918 1.238) 6.833 7.317 ( 3.651 3.185 1.241) 5.001 7.428 ( -1.700 -3.266 0.956) 3.804 7.720 ( -0.303 -6.352 -1.217) 6.475 7.892 ( 1.029 -5.323 1.685) 5.678 8.108 ( 1.565 8.346 0.666) 8.517 8.427 ( 3.021 -1.662 -0.265) 3.458 9.310 ( 1.262 0.253 0.973) 1.614 9.589 ( -0.412 -5.680 0.842) 5.756 9.937 ( -0.698 6.062 -0.363) 6.113 9.963 ( -0.557 1.112 1.150) 1.694 10.029 ( 0.253 0.399 -0.111) 0.485 10.274 ( 0.972 -2.223 1.538) 2.873 10.504 ( -2.232 5.900 -0.351) 6.318 10.725 ( 1.602 -0.402 -0.230) 1.667 10.935 ( 1.912 6.041 -1.414) 6.492 11.112 ( 0.829 -0.945 7.646) 7.749 12.048 ( 0.634 9.503 -0.539) 9.540 12.603 ( 3.969 -7.038 -1.648) 8.247 12.794 ( -4.465 2.271 0.584) 5.043 13.040 ( -1.141 -6.048 -4.620) 7.696 ======================= Grid point 30 (19/205) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( 10.193 22.014 11.457) 26.829 3.026 ( 16.725 17.019 7.074) 24.888 3.328 ( -2.824 4.946 0.677) 5.736 3.652 ( -2.007 2.954 -2.268) 4.231 3.837 ( 4.985 -1.765 2.507) 5.852 3.995 ( 7.873 -1.549 5.229) 9.577 4.266 ( 1.396 1.581 2.092) 2.971 4.395 ( 0.825 -0.496 -2.206) 2.407 4.521 ( 4.398 -1.936 -0.040) 4.805 4.762 ( -0.066 -1.418 -0.461) 1.493 4.913 ( -0.462 3.125 -2.728) 4.174 5.252 ( 2.467 2.397 0.069) 3.440 5.992 ( 1.629 2.435 -2.264) 3.703 6.166 ( -5.601 4.661 0.766) 7.327 6.541 ( 3.662 -12.731 -1.028) 13.287 6.809 ( -9.003 2.580 -1.738) 9.525 7.388 ( 1.730 4.599 2.869) 5.690 7.443 ( 2.771 -8.268 -0.024) 8.720 7.686 ( -2.124 -8.981 -0.559) 9.246 7.905 ( -0.139 -5.452 -0.199) 5.458 8.153 ( 2.624 7.094 0.077) 7.564 8.479 ( 2.454 -2.089 -0.106) 3.224 9.365 ( 3.056 1.186 2.167) 3.930 9.589 ( -0.530 -3.842 1.158) 4.047 9.918 ( -1.201 7.169 -0.037) 7.269 9.968 ( 0.341 1.786 0.499) 1.885 10.025 ( -0.614 0.391 0.252) 0.771 10.304 ( 0.559 -2.558 2.142) 3.383 10.458 ( -1.946 6.938 -1.144) 7.296 10.753 ( 1.472 -0.996 -0.149) 1.784 10.956 ( 1.394 6.730 -1.185) 6.974 11.172 ( -0.003 -1.552 5.626) 5.836 12.054 ( 0.480 9.547 -0.505) 9.572 12.658 ( 2.608 -7.472 -2.227) 8.222 12.737 ( -1.512 2.320 1.752) 3.276 12.967 ( -2.714 -6.585 -4.170) 8.254 ======================= Grid point 31 (20/205) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.030 ( 8.907 16.062 8.138) 20.089 3.236 ( -5.181 7.995 -2.330) 9.808 3.332 ( 10.564 14.215 2.494) 17.885 3.539 ( -6.733 8.074 -2.765) 10.870 3.931 ( 2.447 -0.919 1.217) 2.884 4.123 ( 2.688 -2.137 0.685) 3.501 4.302 ( 0.797 3.167 2.006) 3.833 4.417 ( 1.587 -6.712 2.235) 7.251 4.538 ( -1.061 -8.371 -1.998) 8.671 4.762 ( 0.209 -6.591 0.138) 6.596 4.873 ( -1.260 4.768 -2.464) 5.513 5.352 ( 4.579 1.099 1.670) 4.997 6.033 ( 4.735 6.317 -2.927) 8.419 6.098 ( -3.449 7.964 2.539) 9.043 6.585 ( 1.554 -11.704 -1.249) 11.873 6.610 ( -7.930 9.338 -1.317) 12.321 7.424 ( 0.161 5.515 1.943) 5.849 7.504 ( 3.050 -7.287 -0.743) 7.935 7.644 ( -1.851 -14.642 0.139) 14.759 7.895 ( -0.268 -5.712 -0.546) 5.744 8.192 ( 1.257 6.359 -0.009) 6.482 8.510 ( 0.903 -2.037 -0.041) 2.229 9.437 ( 2.233 1.099 1.423) 2.867 9.583 ( -0.667 -2.254 0.343) 2.375 9.898 ( -0.772 7.712 0.024) 7.751 9.979 ( 0.491 2.771 0.007) 2.814 10.014 ( -0.604 0.004 0.252) 0.654 10.325 ( 0.162 -3.817 1.249) 4.020 10.422 ( -0.789 8.555 -0.906) 8.639 10.773 ( 0.592 -1.269 -0.028) 1.400 10.967 ( 0.493 7.221 -0.548) 7.259 11.200 ( -0.133 -1.679 2.066) 2.666 12.058 ( 0.163 9.518 -0.209) 9.522 12.653 ( -0.486 -3.595 -0.712) 3.697 12.779 ( 2.873 -0.810 1.588) 3.381 12.883 ( -3.047 -7.914 -2.632) 8.880 ======================= Grid point 36 (21/205) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( 0.000 29.073 0.000) 29.073 2.874 ( 0.000 25.132 0.000) 25.132 2.989 ( 0.000 -25.481 0.000) 25.481 3.245 ( 0.000 -13.088 0.000) 13.088 3.836 ( 0.000 6.636 0.000) 6.636 3.871 ( 0.000 2.891 0.000) 2.891 4.242 ( 0.000 0.559 0.000) 0.559 4.283 ( 0.000 2.420 0.000) 2.420 4.467 ( 0.000 14.879 0.000) 14.879 4.782 ( 0.000 -12.333 0.000) 12.333 5.090 ( 0.000 7.706 0.000) 7.706 5.213 ( 0.000 -4.478 0.000) 4.478 6.050 ( 0.000 1.504 0.000) 1.504 6.126 ( 0.000 -7.168 0.000) 7.168 6.524 ( 0.000 2.454 0.000) 2.454 6.668 ( 0.000 -12.164 0.000) 12.164 7.377 ( 0.000 9.420 0.000) 9.420 7.536 ( 0.000 -5.899 0.000) 5.899 7.613 ( 0.000 2.168 0.000) 2.168 7.693 ( 0.000 -6.435 0.000) 6.435 8.234 ( 0.000 6.491 0.000) 6.491 8.323 ( 0.000 -2.948 0.000) 2.948 9.335 ( 0.000 4.165 0.000) 4.165 9.450 ( 0.000 -7.340 0.000) 7.340 9.967 ( 0.000 -0.124 0.000) 0.124 9.971 ( 0.000 -0.390 0.000) 0.390 10.091 ( 0.000 4.966 0.000) 4.966 10.173 ( 0.000 -3.729 0.000) 3.729 10.640 ( 0.000 3.566 0.000) 3.566 10.688 ( 0.000 -1.395 0.000) 1.395 10.983 ( 0.000 2.407 0.000) 2.407 11.004 ( 0.000 0.216 0.000) 0.216 12.221 ( 0.000 9.597 0.000) 9.597 12.392 ( 0.000 -8.229 0.000) 8.229 12.944 ( 0.000 2.308 0.000) 2.308 13.002 ( 0.000 -3.786 0.000) 3.786 ======================= Grid point 37 (22/205) ======================= q-point: ( 0.11 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( 10.570 26.378 8.096) 29.548 2.916 ( 3.082 23.337 3.521) 23.802 3.087 ( 7.393 -22.890 6.079) 24.811 3.266 ( 1.253 -11.772 2.219) 12.045 3.828 ( -0.868 5.762 1.603) 6.043 3.874 ( -0.394 1.529 0.839) 1.788 4.241 ( 0.781 3.126 -0.236) 3.231 4.322 ( 2.806 -3.445 -0.371) 4.459 4.493 ( 3.633 16.393 -2.235) 16.939 4.773 ( -0.148 -10.570 -2.377) 10.835 5.078 ( -0.653 8.228 -1.120) 8.330 5.210 ( -0.214 -4.816 -0.230) 4.826 6.048 ( 0.637 3.259 -1.245) 3.546 6.159 ( 3.984 -7.979 -1.581) 9.057 6.489 ( -3.741 4.444 0.592) 5.839 6.675 ( -0.223 -13.971 1.813) 14.090 7.382 ( 0.026 7.988 1.103) 8.064 7.489 ( -3.897 -1.589 1.255) 4.391 7.643 ( 1.988 -0.385 -1.043) 2.278 7.716 ( 2.016 -7.051 0.232) 7.337 8.240 ( 0.310 6.710 0.785) 6.763 8.337 ( 1.300 -3.492 0.142) 3.729 9.337 ( 0.211 4.496 0.699) 4.555 9.454 ( 0.131 -7.158 0.853) 7.209 9.969 ( 0.291 0.527 0.265) 0.658 9.980 ( 0.940 -0.555 -0.616) 1.254 10.094 ( 0.104 5.224 0.378) 5.239 10.183 ( 0.786 -4.071 0.460) 4.172 10.632 ( -0.843 3.989 0.039) 4.077 10.688 ( 0.056 -1.844 0.031) 1.845 10.996 ( 1.335 3.113 0.294) 3.400 11.032 ( 1.275 -0.719 3.187) 3.507 12.227 ( 0.842 9.873 -0.470) 9.920 12.406 ( 1.672 -8.651 -0.746) 8.843 12.916 ( -2.606 2.919 -0.464) 3.941 12.985 ( -1.147 -4.351 -1.659) 4.796 ======================= Grid point 38 (23/205) ======================= q-point: ( 0.22 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.917 ( 12.392 21.403 9.465) 26.481 3.049 ( 7.904 18.508 6.235) 21.069 3.299 ( 4.761 -12.880 5.400) 14.755 3.345 ( 8.005 -12.088 6.473) 15.878 3.845 ( 0.673 2.479 3.258) 4.148 3.869 ( -0.974 0.626 2.376) 2.643 4.266 ( 1.506 3.352 0.183) 3.679 4.356 ( 1.297 -5.554 -0.655) 5.741 4.546 ( 3.606 11.745 -4.192) 12.982 4.732 ( -1.533 -7.515 -4.259) 8.773 5.060 ( 0.020 9.091 -1.162) 9.165 5.204 ( -0.021 -5.049 -0.302) 5.058 6.066 ( 3.141 7.214 -2.567) 8.276 6.238 ( 5.658 -9.283 -1.957) 11.046 6.412 ( -4.760 9.236 1.424) 10.487 6.685 ( -0.239 -16.755 2.233) 16.905 7.386 ( -0.854 4.738 0.451) 4.836 7.444 ( -2.594 0.630 4.028) 4.833 7.649 ( 0.292 0.454 -3.074) 3.121 7.752 ( 1.462 -8.142 -0.474) 8.285 8.259 ( 1.281 7.080 0.559) 7.217 8.370 ( 2.064 -4.428 0.113) 4.887 9.362 ( 1.405 4.759 2.187) 5.423 9.472 ( 0.650 -6.300 2.099) 6.672 9.980 ( 0.617 0.890 0.115) 1.089 9.991 ( 0.657 -0.062 -0.546) 0.857 10.098 ( -0.161 5.948 0.667) 5.988 10.204 ( 0.768 -4.849 0.908) 4.993 10.613 ( -1.074 5.169 -0.088) 5.280 10.692 ( 0.405 -3.023 -0.030) 3.050 11.031 ( 1.696 4.009 0.875) 4.440 11.087 ( 1.334 -1.923 3.860) 4.514 12.242 ( 1.173 10.557 -0.763) 10.649 12.438 ( 2.494 -9.790 -1.197) 10.173 12.852 ( -3.402 3.732 -0.722) 5.101 12.935 ( -2.374 -4.974 -2.419) 6.019 ======================= Grid point 39 (24/205) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.137 ( 6.233 15.682 6.283) 18.007 3.284 ( 7.709 5.072 3.149) 9.750 3.396 ( 5.336 5.277 5.568) 9.344 3.575 ( 7.765 -9.336 4.298) 12.881 3.868 ( 0.593 3.880 4.175) 5.730 3.942 ( 4.233 -3.656 6.994) 8.955 4.282 ( -0.242 2.492 -0.143) 2.508 4.365 ( 0.317 -4.422 -0.793) 4.504 4.531 ( -1.210 4.539 -4.938) 6.815 4.658 ( -2.330 -7.514 -4.393) 9.010 5.051 ( -0.512 9.166 -1.406) 9.288 5.213 ( 0.991 -6.590 0.337) 6.673 6.124 ( 5.060 9.653 -3.084) 11.327 6.314 ( 2.703 -9.948 -1.391) 10.402 6.367 ( -0.243 15.569 2.561) 15.780 6.703 ( 0.270 -14.874 1.589) 14.961 7.355 ( -1.740 2.206 -0.628) 2.879 7.442 ( -2.325 -3.154 4.564) 6.015 7.612 ( -0.688 3.858 -4.123) 5.688 7.758 ( 0.048 -8.955 -1.219) 9.038 8.294 ( 1.963 7.132 0.235) 7.401 8.411 ( 2.133 -4.951 0.104) 5.392 9.421 ( 2.369 4.146 2.953) 5.615 9.507 ( 0.938 -4.621 2.488) 5.332 9.987 ( 0.016 1.149 0.094) 1.153 9.998 ( 0.608 0.148 -0.462) 0.778 10.096 ( -0.612 6.852 0.701) 6.914 10.221 ( 0.143 -5.736 0.959) 5.818 10.594 ( -0.692 6.773 -0.234) 6.812 10.702 ( 0.676 -4.329 -0.103) 4.382 11.065 ( 1.178 4.663 0.671) 4.856 11.134 ( 0.700 -2.625 3.007) 4.053 12.256 ( 0.904 11.318 -0.731) 11.378 12.473 ( 2.078 -11.130 -1.161) 11.382 12.791 ( -2.267 3.437 -0.352) 4.132 12.867 ( -2.757 -4.446 -2.238) 5.690 ======================= Grid point 40 (25/205) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.274 ( 4.123 8.559 3.314) 10.062 3.337 ( -0.851 1.713 0.143) 1.918 3.559 ( 6.130 8.568 1.997) 10.722 3.643 ( -1.256 0.774 -0.308) 1.507 3.964 ( 3.760 6.055 4.616) 8.491 4.086 ( 3.783 -3.492 4.466) 6.816 4.265 ( 0.039 -1.993 1.123) 2.288 4.345 ( -1.954 -8.041 -2.878) 8.762 4.451 ( -2.346 5.368 -3.133) 6.643 4.601 ( -0.930 -9.213 -1.322) 9.354 5.023 ( -0.838 10.289 -1.013) 10.372 5.233 ( 0.479 -10.634 0.287) 10.648 6.176 ( 1.781 7.886 -1.212) 8.175 6.336 ( 1.053 -4.704 -0.153) 4.823 6.426 ( 2.853 14.652 1.396) 14.993 6.702 ( -1.131 -5.165 0.137) 5.290 7.340 ( 1.203 -4.342 -0.467) 4.530 7.404 ( -3.820 -7.794 1.370) 8.787 7.582 ( 0.013 7.652 -1.540) 7.805 7.747 ( -0.128 -8.936 -0.569) 8.955 8.325 ( 0.960 6.969 0.072) 7.035 8.442 ( 0.919 -5.031 0.049) 5.115 9.479 ( 1.416 2.892 1.495) 3.550 9.535 ( 0.332 -2.800 1.054) 3.011 9.985 ( -0.149 1.821 0.020) 1.827 10.005 ( 0.266 -0.429 -0.194) 0.541 10.089 ( -0.421 7.500 0.316) 7.519 10.226 ( -0.110 -6.387 0.396) 6.400 10.585 ( -0.187 7.997 -0.130) 8.000 10.712 ( 0.359 -5.110 -0.054) 5.122 11.083 ( 0.391 5.013 0.212) 5.032 11.158 ( 0.166 -2.909 1.129) 3.125 12.263 ( 0.320 11.809 -0.310) 11.818 12.493 ( 0.736 -11.722 -0.508) 11.756 12.770 ( -0.070 1.157 0.349) 1.211 12.807 ( -1.837 -2.332 -1.303) 3.242 ======================= Grid point 81 (26/205) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 8.854 0.000 34.796) 35.905 0.754 ( -9.160 0.000 36.624) 37.753 1.284 ( -5.584 0.000 62.102) 62.352 3.208 ( -1.387 0.000 2.817) 3.140 3.434 ( -2.239 0.000 -2.410) 3.289 4.056 ( 0.668 0.000 -0.713) 0.977 4.247 ( -2.872 0.000 -1.506) 3.242 4.385 ( -0.837 0.000 2.400) 2.542 4.441 ( 3.812 0.000 1.141) 3.979 4.863 ( 2.980 0.000 -3.830) 4.853 5.101 ( -1.312 0.000 0.440) 1.384 5.251 ( -0.721 0.000 -0.997) 1.230 6.394 ( -35.877 0.000 -1.154) 35.896 6.509 ( -2.272 0.000 0.821) 2.416 6.976 ( -1.554 0.000 3.331) 3.676 7.152 ( 3.902 0.000 -2.406) 4.584 7.164 ( 25.955 0.000 1.680) 26.009 7.496 ( -2.031 0.000 9.538) 9.752 7.590 ( 3.288 0.000 -5.440) 6.357 7.751 ( 1.221 0.000 -3.853) 4.041 8.053 ( 1.500 0.000 4.474) 4.719 8.360 ( -1.236 0.000 1.463) 1.915 9.525 ( -1.298 0.000 1.191) 1.762 9.657 ( 0.986 0.000 -11.983) 12.023 9.856 ( 1.540 0.000 -2.558) 2.986 10.015 ( -0.421 0.000 -4.598) 4.617 10.104 ( 1.429 0.000 -0.589) 1.545 10.246 ( 0.725 0.000 0.243) 0.765 10.296 ( -4.315 0.000 4.342) 6.121 10.341 ( -0.224 0.000 8.799) 8.802 10.751 ( -0.210 0.000 -0.997) 1.019 11.665 ( 25.137 0.000 -6.928) 26.074 11.932 ( 38.777 0.000 3.737) 38.957 12.562 ( 1.314 0.000 -0.681) 1.480 12.848 ( -2.401 0.000 -0.178) 2.408 13.002 ( -52.030 0.000 -0.581) 52.033 ======================= Grid point 82 (27/205) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 18.335 0.000 27.641) 33.169 1.310 ( 18.047 0.000 34.261) 38.723 2.000 ( 31.884 0.000 46.160) 56.101 3.217 ( -0.354 0.000 3.125) 3.145 3.411 ( 2.156 0.000 -3.776) 4.349 4.040 ( -0.534 0.000 -2.887) 2.936 4.141 ( -5.739 0.000 -3.988) 6.989 4.390 ( -1.167 0.000 3.201) 3.407 4.552 ( 5.225 0.000 4.748) 7.060 4.871 ( 1.151 0.000 -3.277) 3.473 5.096 ( -0.635 0.000 -0.042) 0.636 5.210 ( -2.273 0.000 -2.344) 3.265 6.013 ( -11.317 0.000 5.335) 12.511 6.448 ( -3.855 0.000 -0.909) 3.961 6.988 ( 0.083 0.000 0.648) 0.653 7.210 ( 3.156 0.000 -0.231) 3.165 7.316 ( -2.273 0.000 -8.460) 8.760 7.564 ( 0.671 0.000 11.130) 11.150 7.614 ( 3.269 0.000 -4.710) 5.733 7.764 ( 3.672 0.000 -4.739) 5.995 8.154 ( 4.103 0.000 6.189) 7.425 8.363 ( 0.407 0.000 0.883) 0.972 9.507 ( -1.411 0.000 0.885) 1.666 9.568 ( -0.117 0.000 -12.247) 12.248 9.860 ( 1.813 0.000 -3.276) 3.744 9.967 ( -0.997 0.000 -3.672) 3.805 10.119 ( 0.145 0.000 0.349) 0.378 10.268 ( -0.032 0.000 1.920) 1.920 10.321 ( 2.364 0.000 3.236) 4.007 10.361 ( -3.075 0.000 5.696) 6.474 10.743 ( 0.268 0.000 -1.457) 1.481 11.669 ( -5.919 0.000 -1.489) 6.103 12.050 ( -22.551 0.000 17.613) 28.613 12.583 ( 1.446 0.000 -0.558) 1.550 12.797 ( -2.378 0.000 -1.128) 2.632 12.888 ( 24.245 0.000 -15.102) 28.564 ======================= Grid point 83 (28/205) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 25.215 0.000 19.754) 32.031 1.885 ( 15.221 0.000 33.594) 36.882 3.008 ( 40.092 0.000 30.713) 50.504 3.227 ( -1.539 0.000 4.111) 4.389 3.420 ( 0.125 0.000 -2.799) 2.802 3.995 ( -4.602 0.000 -6.329) 7.825 4.017 ( 2.042 0.000 -4.509) 4.950 4.386 ( -1.856 0.000 2.890) 3.435 4.685 ( 3.949 0.000 5.493) 6.766 4.856 ( -0.145 0.000 -2.824) 2.828 5.064 ( -2.250 0.000 -0.511) 2.307 5.134 ( -3.180 0.000 -3.381) 4.641 5.924 ( -2.940 0.000 2.420) 3.808 6.371 ( -2.491 0.000 -2.369) 3.438 6.877 ( -11.537 0.000 -12.013) 16.656 7.177 ( -5.126 0.000 4.355) 6.726 7.256 ( 1.358 0.000 1.030) 1.705 7.634 ( 2.876 0.000 -4.515) 5.353 7.690 ( 2.474 0.000 11.860) 12.116 7.804 ( 5.184 0.000 -6.059) 7.974 8.273 ( 2.865 0.000 5.758) 6.431 8.386 ( 1.404 0.000 0.480) 1.484 9.480 ( 0.780 0.000 -9.936) 9.967 9.488 ( -1.361 0.000 1.090) 1.744 9.875 ( 2.707 0.000 -4.090) 4.905 9.924 ( -1.161 0.000 -2.538) 2.791 10.124 ( 0.435 0.000 -0.012) 0.436 10.221 ( -7.192 0.000 2.919) 7.761 10.373 ( 1.413 0.000 2.118) 2.546 10.394 ( 2.392 0.000 2.674) 3.588 10.736 ( 0.336 0.000 -1.745) 1.777 11.508 ( -10.027 0.000 2.952) 10.452 11.914 ( -7.229 0.000 11.931) 13.950 12.604 ( 1.653 0.000 -1.949) 2.555 12.751 ( -1.976 0.000 0.430) 2.022 13.114 ( 12.624 0.000 -12.133) 17.509 ======================= Grid point 84 (29/205) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 24.460 0.000 15.283) 28.842 2.388 ( 11.825 0.000 29.057) 31.370 3.122 ( -12.003 0.000 5.541) 13.220 3.327 ( -9.007 0.000 -1.039) 9.067 3.867 ( 9.571 0.000 1.914) 9.760 4.000 ( 28.429 0.000 10.264) 30.225 4.057 ( 5.315 0.000 -4.345) 6.865 4.367 ( -1.928 0.000 1.719) 2.583 4.756 ( 0.184 0.000 1.472) 1.483 4.826 ( -0.531 0.000 -2.906) 2.954 5.019 ( -1.795 0.000 -0.113) 1.798 5.062 ( -1.618 0.000 -1.822) 2.437 5.914 ( -0.512 0.000 2.264) 2.321 6.332 ( 0.787 0.000 -3.233) 3.327 6.439 ( -21.696 0.000 -11.548) 24.578 7.169 ( -2.213 0.000 5.885) 6.288 7.276 ( -0.028 0.000 0.628) 0.629 7.654 ( 3.113 0.000 -4.809) 5.729 7.772 ( -1.598 0.000 4.866) 5.122 7.901 ( 8.158 0.000 -0.559) 8.178 8.327 ( -1.248 0.000 3.646) 3.853 8.418 ( 1.490 0.000 0.479) 1.565 9.465 ( 4.566 0.000 -6.184) 7.688 9.475 ( -1.098 0.000 1.500) 1.859 9.868 ( -3.805 0.000 -1.258) 4.008 9.891 ( 2.502 0.000 -4.372) 5.037 10.096 ( -6.295 0.000 0.664) 6.330 10.134 ( 1.240 0.000 -1.893) 2.263 10.417 ( 1.478 0.000 0.949) 1.756 10.442 ( 0.339 0.000 3.164) 3.182 10.733 ( 0.675 0.000 -0.999) 1.205 11.365 ( -6.974 0.000 0.721) 7.011 11.899 ( -3.489 0.000 7.926) 8.660 12.602 ( 1.068 0.000 -5.218) 5.326 12.744 ( -0.745 0.000 4.713) 4.771 13.216 ( 7.120 0.000 -6.794) 9.841 ======================= Grid point 85 (30/205) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( -7.488 0.000 17.153) 18.717 2.869 ( 17.998 0.000 10.785) 20.982 2.921 ( -5.596 0.000 8.909) 10.521 3.078 ( -16.294 0.000 2.149) 16.435 3.936 ( 4.997 0.000 0.388) 5.012 4.103 ( 1.934 0.000 -3.453) 3.958 4.356 ( 0.277 0.000 0.183) 0.332 4.523 ( 9.240 0.000 -0.688) 9.266 4.718 ( -2.233 0.000 -4.558) 5.076 4.786 ( -1.537 0.000 -3.606) 3.920 5.004 ( -1.719 0.000 0.289) 1.743 5.056 ( 0.783 0.000 1.641) 1.818 5.931 ( 0.168 0.000 3.578) 3.581 6.082 ( -4.099 0.000 0.578) 4.139 6.346 ( 2.929 0.000 -2.914) 4.132 7.162 ( -2.810 0.000 4.364) 5.190 7.260 ( -1.485 0.000 -1.316) 1.985 7.669 ( 2.440 0.000 -5.136) 5.686 7.748 ( -2.742 0.000 1.024) 2.927 8.034 ( 4.718 0.000 0.642) 4.761 8.294 ( -4.049 0.000 2.274) 4.643 8.443 ( 0.519 0.000 0.699) 0.871 9.472 ( -0.581 0.000 1.905) 1.992 9.544 ( 7.776 0.000 -4.565) 9.017 9.767 ( -5.818 0.000 1.141) 5.929 9.897 ( 1.791 0.000 -4.302) 4.660 10.027 ( -1.313 0.000 -0.700) 1.488 10.134 ( 1.328 0.000 -4.634) 4.821 10.429 ( -0.352 0.000 -0.958) 1.021 10.460 ( -1.326 0.000 4.186) 4.391 10.750 ( 1.125 0.000 0.769) 1.362 11.249 ( -4.650 0.000 -3.287) 5.695 11.896 ( -2.855 0.000 6.124) 6.757 12.572 ( 0.569 0.000 -5.668) 5.697 12.786 ( 0.097 0.000 6.487) 6.487 13.293 ( 5.265 0.000 -2.275) 5.736 ======================= Grid point 86 (31/205) ======================= q-point: (-0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( -27.223 0.000 6.091) 27.896 2.651 ( -26.094 0.000 2.134) 26.181 3.077 ( 3.343 0.000 11.894) 12.355 3.286 ( 12.644 0.000 10.555) 16.470 4.046 ( 0.608 0.000 4.826) 4.864 4.080 ( -0.509 0.000 -3.953) 3.985 4.226 ( -28.815 0.000 -9.446) 30.324 4.372 ( 0.607 0.000 0.402) 0.728 4.623 ( -2.468 0.000 -7.704) 8.090 4.745 ( 1.017 0.000 -4.627) 4.737 4.955 ( 0.512 0.000 -2.933) 2.978 5.103 ( 2.097 0.000 2.936) 3.608 5.979 ( 0.291 0.000 5.576) 5.584 6.372 ( 23.535 0.000 10.506) 25.773 6.384 ( 2.678 0.000 -1.187) 2.929 7.136 ( -3.034 0.000 3.117) 4.350 7.203 ( -2.098 0.000 -3.892) 4.421 7.659 ( 0.951 0.000 -5.504) 5.586 7.698 ( -3.165 0.000 0.426) 3.194 8.046 ( -3.118 0.000 -1.700) 3.551 8.246 ( -2.530 0.000 1.606) 2.997 8.447 ( -0.806 0.000 0.964) 1.257 9.483 ( -0.064 0.000 2.191) 2.192 9.657 ( 8.337 0.000 -6.324) 10.464 9.717 ( -1.635 0.000 5.633) 5.866 9.892 ( 1.302 0.000 -4.267) 4.462 10.021 ( 1.161 0.000 -1.092) 1.594 10.107 ( 0.610 0.000 -6.721) 6.749 10.394 ( -1.755 0.000 -2.223) 2.832 10.463 ( -2.073 0.000 4.817) 5.244 10.779 ( 0.688 0.000 1.731) 1.863 11.133 ( -3.600 0.000 -7.136) 7.993 11.885 ( -3.070 0.000 5.062) 5.921 12.542 ( 0.729 0.000 -4.598) 4.656 12.839 ( -0.069 0.000 6.483) 6.483 13.384 ( 4.901 0.000 1.609) 5.159 ======================= Grid point 87 (32/205) ======================= q-point: (-0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -31.401 0.000 7.877) 32.374 2.127 ( -32.941 0.000 5.656) 33.423 3.096 ( -18.507 0.000 2.048) 18.620 3.414 ( -31.016 0.000 -2.810) 31.143 3.522 ( 4.728 0.000 7.833) 9.149 4.042 ( 0.052 0.000 -4.064) 4.065 4.198 ( 2.496 0.000 7.564) 7.965 4.376 ( -0.718 0.000 1.138) 1.345 4.517 ( -2.073 0.000 -7.881) 8.149 4.741 ( 2.851 0.000 -5.318) 6.034 4.981 ( 4.276 0.000 -2.799) 5.111 5.170 ( 2.499 0.000 2.478) 3.519 6.033 ( -0.032 0.000 8.198) 8.198 6.425 ( 1.862 0.000 1.115) 2.171 6.897 ( 22.451 0.000 6.031) 23.247 7.102 ( -2.635 0.000 2.913) 3.928 7.138 ( -0.466 0.000 -5.666) 5.685 7.627 ( 0.785 0.000 -5.601) 5.656 7.632 ( -4.778 0.000 1.330) 4.959 7.939 ( -5.111 0.000 -2.857) 5.855 8.198 ( -3.833 0.000 0.202) 3.839 8.430 ( -1.766 0.000 1.220) 2.146 9.501 ( 0.156 0.000 2.106) 2.112 9.734 ( 4.871 0.000 -6.379) 8.026 9.800 ( 4.836 0.000 6.862) 8.395 9.880 ( 1.141 0.000 -4.697) 4.833 10.050 ( 2.987 0.000 -1.296) 3.256 10.061 ( 0.410 0.000 -6.572) 6.585 10.338 ( -2.094 0.000 -2.383) 3.173 10.457 ( -2.695 0.000 4.739) 5.452 10.795 ( -0.355 0.000 1.428) 1.472 10.999 ( -3.567 0.000 -10.309) 10.909 11.861 ( -3.388 0.000 4.334) 5.502 12.529 ( 1.105 0.000 -3.254) 3.437 12.879 ( -0.716 0.000 5.520) 5.566 13.501 ( 4.986 0.000 4.680) 6.839 ======================= Grid point 88 (33/205) ======================= q-point: (-0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -33.308 0.000 13.667) 36.003 1.535 ( -37.150 0.000 11.622) 38.926 2.242 ( -55.435 0.000 2.784) 55.505 3.260 ( -3.578 0.000 4.319) 5.609 3.585 ( -2.839 0.000 4.699) 5.490 4.025 ( 1.140 0.000 -2.998) 3.207 4.273 ( 0.326 0.000 4.444) 4.456 4.371 ( -0.412 0.000 1.115) 1.189 4.434 ( -1.061 0.000 -5.278) 5.384 4.768 ( 4.427 0.000 -5.345) 6.940 5.056 ( 4.761 0.000 -0.594) 4.798 5.226 ( 1.808 0.000 1.219) 2.180 6.121 ( 1.237 0.000 13.599) 13.655 6.473 ( 1.649 0.000 2.533) 3.022 7.034 ( -3.945 0.000 2.985) 4.947 7.105 ( 1.747 0.000 -5.828) 6.084 7.279 ( 13.647 0.000 -5.554) 14.734 7.548 ( -5.823 0.000 3.724) 6.912 7.617 ( 2.426 0.000 -4.618) 5.217 7.837 ( -3.015 0.000 -3.295) 4.466 8.113 ( -4.935 0.000 0.283) 4.943 8.405 ( -1.846 0.000 1.426) 2.333 9.518 ( 0.022 0.000 1.464) 1.464 9.746 ( 2.814 0.000 -8.234) 8.702 9.858 ( 0.846 0.000 -5.679) 5.742 9.959 ( 5.696 0.000 4.748) 7.415 10.040 ( 1.939 0.000 -3.331) 3.854 10.112 ( 4.036 0.000 1.418) 4.278 10.285 ( -1.707 0.000 -1.968) 2.605 10.441 ( -2.852 0.000 5.189) 5.921 10.788 ( -1.090 0.000 0.542) 1.217 10.836 ( -4.925 0.000 -10.822) 11.890 11.829 ( -3.325 0.000 3.848) 5.085 12.531 ( 1.348 0.000 -2.077) 2.476 12.896 ( -1.460 0.000 3.837) 4.105 13.637 ( 5.164 0.000 4.904) 7.122 ======================= Grid point 89 (34/205) ======================= q-point: (-0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -33.441 0.000 17.664) 37.819 0.975 ( -35.354 0.000 23.644) 42.532 1.361 ( -46.945 0.000 36.630) 59.545 3.227 ( -3.005 0.000 3.244) 4.422 3.519 ( -5.520 0.000 0.935) 5.598 4.036 ( 1.618 0.000 -1.026) 1.915 4.282 ( -1.212 0.000 0.665) 1.382 4.385 ( 0.156 0.000 2.069) 2.075 4.396 ( 0.712 0.000 -2.931) 3.016 4.817 ( 4.864 0.000 -4.627) 6.713 5.121 ( 1.518 0.000 -0.480) 1.592 5.254 ( 0.677 0.000 0.090) 0.683 6.387 ( 15.483 0.000 25.034) 29.435 6.514 ( 0.335 0.000 2.279) 2.303 6.983 ( -3.869 0.000 2.934) 4.855 7.111 ( 3.238 0.000 -4.528) 5.566 7.260 ( -9.374 0.000 -23.202) 25.024 7.491 ( -4.336 0.000 6.726) 8.002 7.599 ( 0.264 0.000 -6.631) 6.636 7.776 ( -0.903 0.000 -3.219) 3.343 8.042 ( -2.891 0.000 1.879) 3.448 8.384 ( -1.734 0.000 1.003) 2.004 9.527 ( -0.164 0.000 1.463) 1.472 9.716 ( 1.919 0.000 -10.316) 10.493 9.838 ( 1.646 0.000 -3.520) 3.886 10.035 ( 2.108 0.000 -3.119) 3.764 10.077 ( 2.820 0.000 -0.854) 2.946 10.234 ( 3.737 0.000 8.098) 8.918 10.249 ( -0.710 0.000 -0.492) 0.864 10.415 ( -6.102 0.000 0.808) 6.155 10.768 ( -0.981 0.000 -0.358) 1.044 10.786 ( 11.984 0.000 14.234) 18.607 11.802 ( -2.569 0.000 3.819) 4.602 12.544 ( 1.359 0.000 -1.230) 1.833 12.885 ( -2.071 0.000 1.759) 2.718 13.692 ( -3.574 0.000 -10.274) 10.878 ======================= Grid point 90 (35/205) ======================= q-point: ( 0.00 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 13.080 29.682 21.587) 38.963 1.145 ( 1.067 25.940 30.344) 39.935 1.730 ( -12.191 43.351 41.033) 60.923 3.243 ( -1.023 3.579 2.667) 4.579 3.471 ( -2.343 3.770 -2.474) 5.082 4.013 ( 1.151 -5.238 1.026) 5.460 4.195 ( -0.832 -4.492 -2.603) 5.258 4.372 ( -1.338 -1.582 2.016) 2.891 4.493 ( 1.604 3.650 -0.430) 4.010 4.847 ( 2.569 -1.182 -3.916) 4.830 5.086 ( -1.233 -1.578 0.475) 2.058 5.252 ( -0.355 0.146 -0.962) 1.035 6.135 ( -9.638 -7.764 8.853) 15.216 6.674 ( -6.917 0.385 -7.211) 9.999 6.891 ( -1.582 -9.527 3.960) 10.438 7.002 ( 5.923 -2.141 1.321) 6.435 7.288 ( 4.037 0.983 2.990) 5.119 7.510 ( 0.523 2.873 0.497) 2.962 7.657 ( 3.128 3.663 -4.178) 6.376 7.800 ( 1.294 4.545 -3.439) 5.844 8.009 ( 1.422 -3.984 5.980) 7.325 8.360 ( -0.891 0.117 1.299) 1.580 9.481 ( -0.694 -4.972 -2.743) 5.721 9.662 ( 0.889 0.688 -8.224) 8.300 9.848 ( -0.014 0.092 -1.254) 1.257 9.974 ( 0.858 -1.760 -1.359) 2.384 10.112 ( -0.451 -1.937 -0.476) 2.045 10.302 ( -3.581 2.364 2.934) 5.198 10.387 ( 0.876 2.867 6.933) 7.553 10.410 ( 0.544 11.885 -6.380) 13.500 10.734 ( 0.868 -1.339 -0.990) 1.878 11.328 ( 21.078 -19.704 15.775) 32.885 11.816 ( -1.149 1.595 4.300) 4.728 12.692 ( 5.402 1.565 -1.288) 5.770 12.804 ( -1.061 -0.433 -4.155) 4.310 13.124 ( -19.430 4.074 -5.394) 20.572 ======================= Grid point 91 (36/205) ======================= q-point: ( 0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 16.290 26.992 21.909) 38.391 1.540 ( 13.924 23.429 27.143) 38.465 2.212 ( 26.887 23.899 40.017) 53.809 3.252 ( -0.649 3.583 3.176) 4.832 3.446 ( 2.147 3.541 -3.920) 5.702 4.018 ( -0.643 -2.736 -1.512) 3.192 4.129 ( -3.062 -1.299 -4.231) 5.382 4.371 ( -0.928 -1.930 2.842) 3.558 4.549 ( 3.240 -0.281 3.492) 4.772 4.846 ( 0.468 -2.065 -2.517) 3.289 5.060 ( -1.854 -3.044 -0.666) 3.625 5.236 ( -0.528 1.578 -2.375) 2.900 6.018 ( -7.182 0.852 4.915) 8.745 6.487 ( -7.494 1.973 -2.604) 8.175 6.906 ( 0.114 -8.450 2.185) 8.729 7.080 ( 1.845 -7.449 -3.131) 8.288 7.332 ( -1.556 -0.981 1.746) 2.536 7.536 ( 0.644 -0.180 2.382) 2.474 7.695 ( 3.884 4.283 -2.915) 6.475 7.819 ( 3.443 4.815 -3.401) 6.827 8.111 ( 2.721 -3.950 6.858) 8.369 8.369 ( 1.060 0.406 0.733) 1.351 9.435 ( -0.533 -5.997 -4.721) 7.651 9.610 ( -0.290 2.942 -6.149) 6.823 9.830 ( -0.085 -1.056 -1.648) 1.959 9.970 ( -0.057 0.268 -1.724) 1.745 10.100 ( -0.944 -2.279 0.903) 2.627 10.281 ( -1.684 1.529 3.580) 4.242 10.401 ( -1.551 4.540 3.389) 5.874 10.439 ( 2.978 8.535 -1.339) 9.138 10.738 ( 0.704 -0.283 -1.500) 1.681 11.552 ( -4.511 -14.234 8.258) 17.063 11.856 ( -1.711 -4.075 9.389) 10.377 12.666 ( -3.260 1.200 -0.441) 3.501 12.809 ( -1.589 0.823 -1.674) 2.451 12.967 ( 10.340 5.860 -12.307) 17.109 ======================= Grid point 92 (37/205) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 19.416 22.503 18.383) 34.947 2.029 ( 14.558 14.489 28.732) 35.318 3.123 ( 36.225 12.334 28.091) 47.471 3.258 ( -0.598 3.314 4.054) 5.270 3.454 ( 0.169 3.422 -3.114) 4.630 3.973 ( -1.422 -1.343 -4.715) 5.105 4.050 ( 0.193 2.143 -5.121) 5.554 4.374 ( -1.071 -1.194 2.486) 2.958 4.648 ( 3.192 -3.734 4.057) 6.371 4.835 ( -0.022 -1.800 -0.648) 1.913 5.006 ( -2.462 -3.932 -2.185) 5.128 5.184 ( -2.736 2.774 -2.795) 4.795 5.956 ( -3.076 2.949 3.093) 5.265 6.354 ( -4.675 -1.961 -2.349) 5.587 6.846 ( -8.961 -2.673 -8.260) 12.476 7.028 ( -2.470 -10.702 1.504) 11.086 7.316 ( -0.545 2.126 2.053) 3.005 7.578 ( 1.146 -1.935 2.806) 3.596 7.761 ( 4.301 3.476 0.802) 5.588 7.866 ( 4.328 5.318 -3.638) 7.763 8.195 ( 0.604 -6.683 6.217) 9.148 8.412 ( 2.758 1.488 0.423) 3.162 9.399 ( 1.306 -4.949 -5.333) 7.392 9.564 ( -0.712 4.316 -2.888) 5.241 9.824 ( 0.871 -2.398 -2.327) 3.453 9.949 ( -0.840 1.236 -1.416) 2.059 10.090 ( -1.155 -2.784 1.120) 3.216 10.252 ( -4.428 3.273 1.924) 5.833 10.403 ( -0.673 1.523 4.355) 4.662 10.493 ( 3.956 9.084 -2.216) 10.153 10.736 ( 0.597 0.190 -1.882) 1.983 11.467 ( -8.234 -4.400 5.367) 10.769 11.882 ( -2.593 -1.247 8.331) 8.814 12.640 ( 0.962 2.261 -3.077) 3.938 12.757 ( -2.567 0.704 1.234) 2.934 13.082 ( 9.517 -3.005 -10.221) 14.286 ======================= Grid point 93 (38/205) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( 11.617 10.538 26.666) 30.937 2.519 ( 20.282 14.446 13.650) 28.396 3.152 ( -11.893 3.329 4.714) 13.219 3.370 ( -7.324 4.294 -1.142) 8.566 3.890 ( 6.641 1.759 0.681) 6.903 4.003 ( 19.170 0.186 3.934) 19.570 4.098 ( 12.229 4.549 2.054) 13.209 4.378 ( 1.083 1.399 1.846) 2.557 4.699 ( 0.633 -5.265 -0.835) 5.368 4.835 ( -0.598 0.417 0.500) 0.884 4.948 ( -1.208 -4.750 -1.932) 5.268 5.115 ( -2.131 3.003 -0.845) 3.778 5.943 ( -1.112 2.875 2.991) 4.296 6.279 ( -1.362 -5.312 -2.701) 6.113 6.473 ( -19.480 3.829 -9.405) 21.968 7.044 ( 0.707 -10.447 3.002) 10.893 7.324 ( -0.876 2.281 1.601) 2.921 7.598 ( 0.156 -1.678 -1.062) 1.992 7.855 ( 1.850 2.500 5.149) 6.016 7.926 ( 6.388 4.292 -4.848) 9.096 8.230 ( -1.280 -7.953 4.620) 9.286 8.459 ( 1.727 2.205 0.150) 2.805 9.414 ( 3.975 -2.995 -3.475) 6.071 9.540 ( 0.080 4.304 -1.278) 4.490 9.812 ( -0.971 -3.017 -1.808) 3.649 9.915 ( -1.320 1.237 -1.752) 2.519 10.064 ( -2.392 -2.172 0.447) 3.262 10.177 ( -2.712 4.183 -1.030) 5.091 10.435 ( -0.183 0.208 4.648) 4.657 10.539 ( 2.732 9.342 -2.511) 10.052 10.736 ( 0.936 0.369 -1.191) 1.559 11.357 ( -6.349 -0.985 1.507) 6.599 11.896 ( -2.209 0.328 6.638) 7.003 12.624 ( 0.936 1.664 -6.028) 6.323 12.751 ( -0.786 0.750 5.025) 5.141 13.160 ( 6.018 -5.538 -5.878) 10.071 ======================= Grid point 94 (39/205) ======================= q-point: ( 0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( -9.834 6.104 13.409) 17.714 2.941 ( 4.569 4.900 7.724) 10.224 2.976 ( 6.787 8.106 10.807) 15.118 3.171 ( -12.672 8.466 2.604) 15.460 3.943 ( 3.731 0.641 0.827) 3.875 4.112 ( 3.401 0.749 -4.186) 5.445 4.304 ( 0.104 -4.016 -0.139) 4.019 4.576 ( 6.835 3.630 -1.774) 7.940 4.668 ( -0.643 -4.636 -4.221) 6.302 4.799 ( -1.863 0.976 -3.109) 3.753 4.950 ( 0.144 -3.757 1.605) 4.088 5.113 ( 0.015 4.805 2.016) 5.211 5.953 ( -0.614 2.294 3.859) 4.531 6.145 ( -3.718 6.077 0.059) 7.125 6.271 ( 0.976 -6.561 -1.039) 6.714 7.079 ( 0.633 -8.454 2.043) 8.720 7.294 ( -3.035 1.925 -0.152) 3.597 7.577 ( -0.221 -1.765 -3.369) 3.810 7.884 ( -1.160 5.724 2.002) 6.174 8.019 ( 5.064 -0.268 -2.207) 5.531 8.218 ( -3.363 -6.753 3.374) 8.264 8.480 ( 0.504 2.505 0.329) 2.576 9.464 ( 2.208 -1.686 -1.657) 3.235 9.563 ( 4.395 2.324 -2.062) 5.382 9.749 ( -4.580 -1.221 1.227) 4.896 9.887 ( 0.637 0.082 -3.498) 3.556 10.026 ( -1.202 -0.306 -0.398) 1.303 10.139 ( -0.238 2.204 -2.952) 3.692 10.459 ( -1.283 -0.268 4.503) 4.690 10.551 ( 1.175 10.062 -3.349) 10.669 10.756 ( 1.378 0.699 0.563) 1.645 11.251 ( -4.621 0.138 -2.604) 5.306 11.902 ( -2.288 0.958 5.497) 6.031 12.590 ( 0.684 1.529 -5.911) 6.144 12.792 ( 0.056 0.641 6.153) 6.186 13.227 ( 4.691 -6.595 -1.826) 8.296 ======================= Grid point 95 (40/205) ======================= q-point: (-0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( -25.951 5.175 3.361) 26.674 2.781 ( -23.277 11.347 1.509) 25.939 3.113 ( 3.160 3.687 10.755) 11.800 3.350 ( 11.195 6.185 9.749) 16.082 4.010 ( -0.740 -2.201 1.726) 2.893 4.125 ( -0.239 2.587 -2.777) 3.803 4.192 ( -14.135 -2.382 -5.265) 15.271 4.443 ( -7.948 5.219 -1.728) 9.665 4.611 ( -3.097 -0.771 -6.393) 7.146 4.729 ( -0.387 -1.075 -4.693) 4.830 4.941 ( 0.606 -1.084 -1.440) 1.902 5.128 ( 1.531 2.599 2.500) 3.918 5.985 ( -0.198 0.822 5.296) 5.363 6.293 ( 3.323 -7.721 0.286) 8.410 6.408 ( 19.945 3.244 9.044) 22.139 7.086 ( -2.115 -7.173 2.365) 7.844 7.222 ( -2.580 1.869 -3.191) 4.509 7.547 ( 0.363 -1.319 -4.074) 4.298 7.852 ( -3.247 5.728 0.436) 6.599 8.042 ( -0.657 0.296 -3.172) 3.253 8.172 ( -3.611 -6.245 2.714) 7.707 8.483 ( -0.635 2.547 0.536) 2.679 9.469 ( 0.225 -2.465 -1.081) 2.701 9.649 ( 6.220 -0.470 -4.095) 7.462 9.710 ( -1.502 0.030 4.897) 5.123 9.875 ( 1.064 -0.334 -3.869) 4.026 10.015 ( 0.489 -0.317 -0.963) 1.126 10.113 ( 0.447 2.346 -4.018) 4.674 10.454 ( -2.434 0.472 2.951) 3.854 10.543 ( 0.626 10.351 -2.316) 10.626 10.786 ( 0.743 0.770 1.211) 1.616 11.140 ( -3.702 0.711 -6.148) 7.212 11.895 ( -2.661 1.378 4.661) 5.541 12.563 ( 1.094 1.954 -4.773) 5.272 12.838 ( -0.306 -0.111 5.937) 5.946 13.312 ( 4.426 -7.195 1.797) 8.636 ======================= Grid point 96 (41/205) ======================= q-point: (-0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( -29.129 7.680 5.210) 30.572 2.291 ( -30.147 13.577 1.335) 33.090 3.167 ( -8.228 5.813 4.779) 11.150 3.508 ( -34.078 10.061 -3.121) 35.669 3.565 ( 3.883 4.304 7.325) 9.341 4.016 ( -0.575 -2.656 -3.620) 4.526 4.206 ( 1.043 0.508 4.677) 4.818 4.384 ( -1.467 0.805 1.135) 2.022 4.512 ( -1.503 -0.168 -5.513) 5.716 4.714 ( 2.576 -2.415 -5.019) 6.136 4.972 ( 3.707 -0.656 -1.730) 4.143 5.195 ( 2.978 2.107 1.973) 4.147 6.028 ( -0.487 -0.372 7.466) 7.491 6.358 ( 3.541 -6.119 1.564) 7.240 6.849 ( 17.157 -3.406 4.547) 18.073 7.042 ( -3.724 -7.447 3.033) 8.862 7.167 ( 0.254 2.271 -4.644) 5.175 7.532 ( 1.186 0.256 -2.848) 3.096 7.776 ( -4.514 4.646 -0.643) 6.510 7.970 ( -3.153 3.067 -3.870) 5.859 8.124 ( -3.676 -6.358 1.846) 7.572 8.460 ( -2.230 2.123 0.536) 3.125 9.466 ( 0.456 -4.729 -1.306) 4.927 9.708 ( 4.038 -1.952 -5.509) 7.104 9.765 ( 1.650 -1.436 6.371) 6.736 9.872 ( 1.722 0.436 -2.423) 3.004 10.027 ( 1.863 -0.704 -1.279) 2.367 10.103 ( 1.978 3.862 -3.854) 5.803 10.419 ( -2.683 2.675 1.045) 3.930 10.540 ( 0.226 9.862 -0.471) 9.876 10.795 ( -0.484 0.087 0.044) 0.494 11.016 ( -3.551 1.694 -8.256) 9.145 11.876 ( -2.992 1.818 3.994) 5.311 12.557 ( 1.731 2.725 -3.479) 4.746 12.869 ( -1.036 -1.269 4.871) 5.139 13.417 ( 3.928 -8.135 4.537) 10.109 ======================= Grid point 97 (42/205) ======================= q-point: (-0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -28.792 12.912 11.739) 33.668 1.687 ( -35.108 13.492 0.300) 37.612 2.577 ( -44.416 30.277 8.338) 54.397 3.279 ( -3.446 2.183 3.803) 5.577 3.623 ( -2.719 3.621 4.410) 6.321 3.985 ( 0.256 -4.588 -3.241) 5.623 4.222 ( -0.845 -3.851 0.417) 3.964 4.378 ( -0.690 -0.297 2.024) 2.159 4.477 ( 0.524 3.593 -2.083) 4.186 4.743 ( 4.424 -2.061 -4.629) 6.727 5.039 ( 3.728 -1.166 0.071) 3.907 5.253 ( 2.001 1.840 0.354) 2.741 6.087 ( -0.705 -2.519 10.842) 11.153 6.455 ( 5.310 -2.354 2.535) 6.338 6.952 ( -3.857 -7.283 3.098) 8.804 7.062 ( 2.602 -6.751 -6.363) 9.635 7.203 ( 4.709 -2.050 -0.738) 5.188 7.550 ( 1.275 1.713 -0.135) 2.140 7.693 ( -2.444 3.962 -2.588) 5.326 7.886 ( -2.358 4.150 -3.947) 6.194 8.068 ( -3.661 -5.011 1.503) 6.385 8.417 ( -2.779 1.221 0.970) 3.187 9.467 ( 1.004 -5.817 -1.686) 6.139 9.718 ( 2.376 -1.678 -6.596) 7.209 9.816 ( 0.706 -0.995 0.794) 1.456 9.919 ( 2.438 -1.332 2.146) 3.510 10.080 ( 3.457 -2.319 1.889) 4.571 10.128 ( 3.869 5.830 -2.498) 7.429 10.378 ( -2.237 4.252 0.489) 4.829 10.547 ( 0.945 10.418 0.091) 10.461 10.757 ( -2.204 -1.629 -4.827) 5.550 10.891 ( -3.497 4.200 -4.348) 6.984 11.849 ( -2.943 2.273 3.466) 5.084 12.573 ( 2.426 3.764 -2.430) 5.095 12.875 ( -1.691 -2.325 3.150) 4.265 13.512 ( 1.486 -10.988 4.753) 12.063 ======================= Grid point 98 (43/205) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -28.571 20.240 9.761) 36.349 1.103 ( -20.313 21.561 22.118) 36.969 1.940 ( -35.586 44.783 25.443) 62.604 3.253 ( -2.290 2.730 2.903) 4.596 3.558 ( -5.465 3.876 0.811) 6.749 3.983 ( 1.198 -6.215 -0.433) 6.344 4.210 ( 0.192 -4.885 -1.374) 5.078 4.380 ( -0.884 -1.120 1.804) 2.300 4.480 ( 1.127 5.160 -1.846) 5.595 4.801 ( 5.196 -1.087 -4.125) 6.723 5.091 ( 0.923 -1.974 0.851) 2.340 5.269 ( -0.119 0.596 -0.766) 0.978 6.163 ( -2.650 -8.913 13.533) 16.420 6.616 ( 10.481 -0.090 2.229) 10.716 6.902 ( -3.730 -7.815 3.698) 9.416 7.026 ( -1.486 -5.214 -6.597) 8.539 7.232 ( 0.191 -0.313 -0.589) 0.694 7.536 ( -2.264 2.659 -0.800) 3.583 7.653 ( 0.850 3.699 -4.377) 5.794 7.825 ( -0.884 4.356 -3.637) 5.743 8.008 ( -3.844 -4.771 1.882) 6.410 8.379 ( -2.176 0.354 1.369) 2.595 9.484 ( 1.690 -4.836 -1.080) 5.236 9.700 ( 1.697 -0.756 -7.542) 7.768 9.835 ( 1.541 0.812 -0.467) 1.803 9.962 ( 1.237 -2.899 0.033) 3.152 10.118 ( 0.796 -2.095 -1.225) 2.554 10.252 ( 6.169 4.151 5.813) 9.438 10.347 ( -2.025 4.083 1.703) 4.865 10.530 ( -2.705 9.832 -10.423) 14.582 10.697 ( 2.105 -2.045 1.891) 3.491 10.888 ( 5.167 5.273 8.635) 11.361 11.825 ( -2.385 2.593 3.141) 4.720 12.612 ( 3.827 4.881 -2.002) 6.518 12.854 ( -2.214 -2.889 0.781) 3.723 13.479 ( -9.304 -14.175 -1.494) 17.022 ======================= Grid point 99 (44/205) ======================= q-point: ( 0.00 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 7.762 27.329 23.100) 36.616 1.739 ( 4.629 34.800 13.238) 37.520 2.663 ( -8.528 49.695 20.635) 54.481 3.334 ( -0.233 5.593 2.292) 6.049 3.563 ( -2.619 4.937 -2.943) 6.316 3.850 ( 2.092 -10.947 5.419) 12.393 4.106 ( 0.612 -4.354 -2.793) 5.209 4.329 ( -1.030 -2.641 0.957) 2.991 4.535 ( -0.334 -0.093 -0.244) 0.424 4.841 ( 1.906 1.330 -3.977) 4.607 5.038 ( -2.244 -3.469 0.292) 4.142 5.256 ( 0.192 0.102 -0.934) 0.959 6.079 ( -3.757 -0.072 5.819) 6.927 6.555 ( -0.473 -10.972 -3.231) 11.448 6.696 ( -1.625 -8.974 2.217) 9.386 7.008 ( 1.559 0.349 1.270) 2.041 7.266 ( -1.053 -1.865 5.236) 5.657 7.564 ( -2.067 1.914 -1.372) 3.133 7.671 ( 4.285 -2.485 -4.747) 6.861 7.892 ( 1.074 3.298 -1.492) 3.776 7.952 ( 2.215 0.318 5.964) 6.370 8.362 ( -0.896 -0.070 0.856) 1.241 9.359 ( 0.003 -6.384 -4.154) 7.616 9.659 ( 0.972 -1.989 -4.867) 5.346 9.888 ( -1.113 4.058 0.674) 4.262 9.960 ( 1.739 0.157 -0.544) 1.828 10.053 ( -1.153 -3.186 1.494) 3.703 10.323 ( -2.522 -1.535 3.362) 4.474 10.448 ( 1.939 4.291 0.995) 4.813 10.599 ( 0.759 6.826 -5.507) 8.803 10.743 ( 1.448 3.493 -1.541) 4.083 11.130 ( 6.413 -4.082 11.396) 13.699 11.897 ( -1.019 6.288 1.728) 6.600 12.645 ( -1.801 -4.577 1.314) 5.091 12.830 ( 3.560 1.849 -5.431) 6.752 13.129 ( -6.711 -2.332 -2.961) 7.697 ======================= Grid point 100 (45/205) ======================= q-point: ( 0.11 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 12.138 24.090 22.938) 35.409 2.030 ( 14.617 27.387 17.791) 35.780 2.882 ( 14.429 41.427 22.451) 49.279 3.345 ( -1.190 5.786 3.297) 6.765 3.533 ( 2.111 4.844 -3.866) 6.547 3.922 ( 1.169 -7.172 3.162) 7.925 4.096 ( 0.889 -1.697 -3.446) 3.943 4.326 ( -0.036 -2.413 1.358) 2.770 4.531 ( -0.046 -2.283 0.751) 2.404 4.823 ( -0.817 0.577 -1.545) 1.841 4.989 ( -2.274 -4.381 -1.582) 5.184 5.253 ( 0.125 0.223 -1.885) 1.903 6.044 ( -3.940 1.494 4.418) 6.105 6.459 ( -6.760 -4.995 -2.881) 8.885 6.692 ( 0.066 -12.191 1.896) 12.338 7.022 ( -1.528 0.208 -0.344) 1.580 7.295 ( 0.167 -2.215 4.008) 4.582 7.530 ( -1.030 -1.073 1.730) 2.281 7.725 ( 5.042 -1.682 -4.962) 7.271 7.916 ( 2.945 4.805 -1.805) 5.918 8.039 ( 0.217 -2.538 7.000) 7.449 8.373 ( 1.877 -0.072 -0.055) 1.879 9.321 ( 0.175 -4.839 -4.062) 6.320 9.639 ( 0.776 -0.639 -4.282) 4.398 9.862 ( -1.765 4.276 0.359) 4.639 9.978 ( 0.369 0.656 -0.459) 0.882 10.044 ( -0.946 -2.920 1.547) 3.437 10.319 ( -0.592 0.981 3.438) 3.624 10.457 ( -2.192 2.597 1.706) 3.803 10.605 ( 3.628 6.694 -4.204) 8.698 10.760 ( 1.318 3.592 -1.383) 4.068 11.308 ( 1.751 -9.030 11.045) 14.374 11.899 ( -0.379 5.838 2.291) 6.283 12.633 ( 0.475 -3.753 -0.692) 3.846 12.824 ( -1.032 0.793 -2.993) 3.264 13.026 ( 0.341 0.281 -6.566) 6.581 ======================= Grid point 101 (46/205) ======================= q-point: ( 0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( 10.407 21.136 23.114) 33.004 2.457 ( 15.890 23.112 14.417) 31.535 3.334 ( -3.478 5.511 5.426) 8.480 3.475 ( 27.162 21.179 17.748) 38.747 3.543 ( 0.545 5.711 -3.077) 6.510 3.940 ( 0.887 -2.401 -1.366) 2.902 4.095 ( 2.807 3.265 -3.511) 5.556 4.348 ( 1.148 -1.310 1.324) 2.187 4.552 ( 1.437 -5.987 0.793) 6.208 4.807 ( -0.742 -0.803 1.948) 2.234 4.933 ( -1.941 -3.617 -2.757) 4.945 5.217 ( -2.072 0.847 -2.474) 3.337 6.013 ( -2.737 2.133 3.823) 5.163 6.298 ( -7.757 -3.152 -1.678) 8.540 6.720 ( 1.254 -12.082 0.046) 12.147 6.911 ( -8.893 0.763 -3.071) 9.439 7.329 ( 1.022 -0.011 1.797) 2.067 7.552 ( 0.549 -2.045 3.918) 4.453 7.781 ( 4.635 -2.542 -3.780) 6.499 7.968 ( 3.744 5.423 -1.331) 6.723 8.064 ( -2.542 -6.077 6.295) 9.112 8.425 ( 3.607 -0.103 -0.593) 3.657 9.318 ( 2.547 -2.650 -2.856) 4.655 9.621 ( 0.385 0.737 -3.164) 3.271 9.836 ( -1.323 3.966 0.351) 4.195 9.968 ( -1.073 0.905 -0.082) 1.406 10.040 ( -0.532 -2.032 0.723) 2.221 10.334 ( -1.377 4.383 2.111) 5.056 10.418 ( -2.540 0.214 2.439) 3.528 10.654 ( 4.516 5.826 -3.186) 8.031 10.765 ( 0.805 4.223 -2.257) 4.855 11.361 ( -3.207 -5.832 7.273) 9.859 11.917 ( -0.237 4.895 3.344) 5.933 12.647 ( 2.246 -1.824 -3.490) 4.533 12.772 ( -2.480 0.596 0.713) 2.648 13.014 ( 3.062 -3.762 -6.686) 8.260 ======================= Grid point 102 (47/205) ======================= q-point: ( 0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.736 ( 8.460 15.756 21.741) 28.152 2.847 ( 15.470 18.269 9.868) 25.893 3.247 ( -10.352 6.332 3.679) 12.681 3.478 ( -4.848 6.759 -1.540) 8.459 3.911 ( 4.227 0.145 1.171) 4.388 4.008 ( 9.421 0.434 -2.151) 9.673 4.210 ( 7.719 5.880 3.691) 10.382 4.428 ( 9.148 3.158 2.753) 10.062 4.574 ( 1.303 -7.288 -2.968) 7.976 4.832 ( 0.749 -2.060 4.049) 4.604 4.868 ( -2.398 -1.860 -3.537) 4.661 5.177 ( 0.456 4.320 0.702) 4.400 6.004 ( -1.419 2.019 3.842) 4.566 6.164 ( -5.207 -4.404 -0.943) 6.884 6.585 ( -13.881 7.025 -5.695) 16.567 6.814 ( 1.193 -12.349 1.527) 12.500 7.350 ( -0.038 1.076 0.210) 1.097 7.589 ( 0.466 -0.963 2.159) 2.410 7.835 ( 2.993 -4.346 -1.205) 5.413 8.028 ( 2.887 4.734 0.269) 5.551 8.064 ( -1.314 -7.970 3.999) 9.013 8.481 ( 2.650 0.067 -0.738) 2.752 9.368 ( 4.416 -1.232 -2.149) 5.063 9.603 ( 0.110 1.209 -2.419) 2.706 9.813 ( -1.896 3.771 0.772) 4.291 9.941 ( -1.375 1.520 -0.758) 2.185 10.032 ( -0.738 -1.072 0.149) 1.309 10.283 ( -2.939 6.684 -1.839) 7.529 10.423 ( -0.763 -1.701 4.667) 5.026 10.717 ( 4.374 6.073 -2.285) 7.825 10.756 ( 0.481 4.133 -2.833) 5.034 11.325 ( -4.461 -2.331 2.910) 5.814 11.937 ( -0.689 4.441 3.869) 5.930 12.640 ( 1.022 -0.247 -5.786) 5.881 12.770 ( 0.120 0.815 3.870) 3.956 13.025 ( 2.652 -7.993 -4.116) 9.374 ======================= Grid point 103 (48/205) ======================= q-point: ( 0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.934 ( -12.375 12.299 6.542) 18.633 3.061 ( 2.114 7.886 7.756) 11.261 3.185 ( 7.426 12.426 8.452) 16.763 3.351 ( -7.242 9.612 2.037) 12.205 3.955 ( 1.522 0.382 1.321) 2.051 4.112 ( 5.717 -1.274 -5.368) 7.945 4.255 ( -1.936 -0.083 -0.323) 1.964 4.540 ( -1.269 -7.278 -5.585) 9.262 4.607 ( 4.037 -2.549 -3.080) 5.681 4.811 ( -0.227 -0.676 -2.977) 3.062 4.890 ( 1.132 -1.618 5.117) 5.485 5.254 ( 1.908 9.967 3.125) 10.618 6.014 ( -1.297 2.966 4.407) 5.469 6.103 ( -0.743 -5.533 0.643) 5.619 6.345 ( -4.433 11.673 0.930) 12.521 6.858 ( 1.466 -13.640 1.041) 13.758 7.326 ( -1.858 1.928 -1.559) 3.099 7.599 ( 0.211 1.736 -0.728) 1.894 7.860 ( -0.403 -6.831 0.567) 6.867 8.060 ( -2.063 -6.051 5.659) 8.538 8.087 ( 2.465 2.517 -2.243) 4.177 8.510 ( 1.140 0.476 -0.599) 1.373 9.419 ( 2.510 -1.938 -3.752) 4.913 9.595 ( 1.115 -0.062 -1.456) 1.835 9.777 ( -2.459 4.969 1.781) 5.824 9.915 ( -0.094 2.468 -2.058) 3.215 10.018 ( -0.630 -0.371 -0.179) 0.753 10.226 ( -0.898 6.228 -3.294) 7.102 10.442 ( -1.221 -1.569 4.535) 4.951 10.739 ( 0.662 7.065 -3.506) 7.914 10.779 ( 3.135 3.303 -0.871) 4.636 11.250 ( -4.244 -0.398 -0.919) 4.361 11.950 ( -1.235 4.463 3.830) 6.009 12.614 ( 1.095 0.755 -5.246) 5.412 12.809 ( 0.060 0.931 4.197) 4.300 13.058 ( 3.190 -10.671 -0.771) 11.164 ======================= Grid point 104 (49/205) ======================= q-point: (-0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( -20.990 14.493 -0.597) 25.515 3.024 ( -19.130 13.545 -0.319) 23.441 3.207 ( 2.320 5.859 7.909) 10.112 3.489 ( 8.368 7.605 7.405) 13.516 3.967 ( -2.358 -2.564 0.434) 3.510 4.105 ( -5.239 -3.702 -7.171) 9.622 4.203 ( 0.710 2.354 -1.287) 2.775 4.464 ( -2.304 -2.714 -1.981) 4.074 4.590 ( -1.149 -2.901 -5.076) 5.959 4.762 ( -4.662 3.960 -2.328) 6.545 4.927 ( 0.110 0.098 2.176) 2.181 5.216 ( -3.071 7.068 1.600) 7.871 6.019 ( -1.925 3.015 5.040) 6.181 6.136 ( 2.731 -7.013 2.136) 7.823 6.511 ( 14.708 7.426 6.583) 17.743 6.869 ( -1.593 -13.876 1.609) 14.059 7.270 ( -1.696 3.054 -3.373) 4.856 7.595 ( 0.499 3.795 -1.504) 4.112 7.826 ( -3.174 -8.067 -0.293) 8.674 8.048 ( -3.316 -6.192 4.127) 8.147 8.092 ( -0.309 4.157 -1.990) 4.619 8.514 ( -0.417 0.371 -0.539) 0.776 9.395 ( -0.668 -3.732 -4.741) 6.070 9.622 ( 2.155 -2.529 -0.636) 3.383 9.770 ( 0.139 6.039 2.229) 6.439 9.903 ( 0.580 2.889 -2.223) 3.691 10.009 ( 0.172 -0.250 -0.701) 0.764 10.199 ( 1.003 5.946 -3.850) 7.154 10.448 ( -1.679 -0.836 3.982) 4.402 10.725 ( 0.467 6.453 -2.669) 6.999 10.816 ( 1.714 3.568 -1.460) 4.219 11.157 ( -3.766 0.889 -3.619) 5.298 11.951 ( -1.704 4.774 3.479) 6.148 12.605 ( 2.028 2.135 -4.397) 5.292 12.827 ( -1.415 -1.408 3.808) 4.299 13.133 ( 3.965 -10.787 2.456) 11.753 ======================= Grid point 105 (50/205) ======================= q-point: (-0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( -21.368 20.078 0.270) 29.322 2.575 ( -26.519 15.887 -4.012) 31.173 3.271 ( -0.794 4.980 4.757) 6.932 3.650 ( 2.374 4.812 5.075) 7.386 3.749 ( -20.816 10.474 -1.025) 23.325 3.938 ( -3.628 -5.527 -4.835) 8.191 4.214 ( -1.280 0.552 0.111) 1.399 4.413 ( -4.593 2.770 1.442) 5.554 4.510 ( -0.875 -1.065 -2.060) 2.479 4.691 ( 1.097 1.766 -2.795) 3.483 4.964 ( 2.648 -0.065 0.676) 2.734 5.235 ( 1.978 2.003 1.741) 3.310 6.030 ( -1.501 0.860 6.043) 6.286 6.233 ( 5.582 -5.882 2.552) 8.501 6.816 ( 7.023 -1.296 4.423) 8.400 6.831 ( 0.458 -11.613 0.841) 11.652 7.221 ( -0.225 3.444 -3.621) 5.002 7.598 ( -0.091 3.926 0.930) 4.036 7.754 ( -2.260 -6.754 -3.560) 7.962 8.003 ( -3.868 -4.488 1.938) 6.234 8.049 ( -2.719 3.823 -1.017) 4.800 8.484 ( -2.119 0.144 -0.616) 2.211 9.350 ( -0.035 -5.472 -4.080) 6.825 9.657 ( 2.048 -3.950 -0.862) 4.533 9.807 ( 1.221 5.330 3.091) 6.281 9.902 ( 0.853 2.516 -1.342) 2.977 10.015 ( 1.264 -0.535 -1.254) 1.859 10.202 ( 2.370 5.696 -3.434) 7.061 10.443 ( -1.726 0.642 3.084) 3.592 10.714 ( 0.045 5.352 -1.582) 5.581 10.816 ( 0.427 3.593 -3.790) 5.240 11.058 ( -3.484 2.379 -4.164) 5.927 11.941 ( -2.012 5.268 2.977) 6.377 12.620 ( 2.796 3.621 -3.413) 5.708 12.820 ( -2.109 -4.219 3.110) 5.650 13.229 ( 3.123 -10.503 4.239) 11.748 ======================= Grid point 106 (51/205) ======================= q-point: (-0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( -18.719 26.061 3.929) 32.327 2.019 ( -27.336 21.246 -4.172) 34.872 3.185 ( -20.111 25.525 7.864) 33.434 3.370 ( -9.692 11.279 3.327) 15.239 3.704 ( -1.823 3.967 4.033) 5.943 3.841 ( -3.082 -10.048 -4.145) 11.298 4.160 ( -2.469 -1.895 -1.501) 3.455 4.360 ( -1.850 -1.119 1.066) 2.411 4.521 ( 1.201 -0.297 0.132) 1.245 4.731 ( 4.693 2.000 -2.524) 5.692 5.022 ( 2.279 -0.614 1.453) 2.771 5.273 ( 0.883 0.202 0.060) 0.908 6.056 ( -1.363 -0.552 7.162) 7.311 6.378 ( 7.743 -5.124 1.843) 9.466 6.762 ( -4.948 -12.040 3.533) 13.487 6.957 ( 3.923 -2.933 -3.033) 5.761 7.214 ( 1.195 2.466 -0.673) 2.822 7.587 ( -3.486 -1.098 4.491) 5.790 7.712 ( 2.563 -0.657 -8.152) 8.571 7.943 ( -3.392 -3.226 0.285) 4.690 7.986 ( -3.513 2.695 0.180) 4.431 8.434 ( -2.710 0.139 -0.137) 2.718 9.338 ( 1.890 -6.016 -2.997) 6.981 9.678 ( 1.621 -3.744 -2.653) 4.867 9.851 ( 0.697 4.561 3.170) 5.598 9.916 ( 1.112 0.883 -0.006) 1.420 10.036 ( 1.651 -1.737 -0.587) 2.467 10.237 ( 3.392 4.661 -0.951) 5.843 10.433 ( -1.414 2.376 1.735) 3.264 10.700 ( -0.523 2.019 -0.957) 2.295 10.775 ( 0.159 5.982 -7.655) 9.716 10.974 ( -2.898 4.110 -0.607) 5.065 11.925 ( -2.000 5.784 2.439) 6.588 12.649 ( 2.292 3.661 -1.898) 4.718 12.804 ( -1.207 -4.968 1.226) 5.258 13.295 ( -0.108 -10.755 3.821) 11.414 ======================= Grid point 107 (52/205) ======================= q-point: (-0.11 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -16.828 26.870 10.419) 33.373 1.683 ( -7.843 34.886 6.228) 36.295 2.826 ( -22.902 45.120 16.049) 53.084 3.328 ( -1.090 5.071 2.053) 5.578 3.655 ( -4.849 5.710 -0.221) 7.495 3.795 ( -0.082 -13.052 1.950) 13.197 4.121 ( -0.272 -4.131 -2.276) 4.724 4.343 ( -1.212 -2.479 1.097) 2.969 4.537 ( 0.470 0.150 -0.201) 0.533 4.803 ( 5.043 2.014 -3.585) 6.507 5.056 ( -0.222 -1.918 1.558) 2.481 5.269 ( -0.620 -0.418 -0.795) 1.091 6.083 ( -2.147 -1.066 7.300) 7.684 6.521 ( 6.100 -8.169 -1.038) 10.248 6.710 ( -3.109 -10.676 3.416) 11.632 6.977 ( 1.637 -1.445 -1.806) 2.833 7.242 ( 0.304 1.119 3.187) 3.391 7.571 ( -0.431 -0.557 2.372) 2.475 7.687 ( 1.066 -0.232 -8.169) 8.241 7.894 ( -1.669 -2.064 0.804) 2.773 7.930 ( -2.397 3.320 0.859) 4.184 8.388 ( -2.377 0.088 0.623) 2.459 9.363 ( 2.425 -6.468 -2.767) 7.442 9.676 ( 1.139 -2.928 -4.273) 5.304 9.883 ( 0.473 4.310 1.933) 4.747 9.936 ( 1.121 -0.165 -0.230) 1.156 10.055 ( 0.207 -2.984 0.492) 3.032 10.309 ( 2.137 -0.024 3.803) 4.363 10.418 ( -0.185 4.870 -0.550) 4.904 10.657 ( -1.361 1.946 -6.011) 6.463 10.736 ( 1.271 6.804 -3.863) 7.927 10.974 ( 1.483 3.703 6.241) 7.407 11.908 ( -1.602 6.159 1.947) 6.655 12.663 ( -0.560 -0.844 0.790) 1.285 12.804 ( 2.122 -0.992 -2.921) 3.744 13.264 ( -5.393 -8.886 0.839) 10.428 ======================= Grid point 108 (53/205) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 4.711 27.513 18.055) 33.244 2.381 ( 3.766 31.573 6.946) 32.547 3.362 ( -0.271 4.628 5.090) 6.885 3.476 ( 0.772 -8.076 4.238) 9.153 3.550 ( -2.945 20.915 5.178) 21.747 3.768 ( 0.794 4.730 1.637) 5.068 4.085 ( -0.207 6.144 0.855) 6.207 4.278 ( -0.611 -2.538 0.524) 2.663 4.478 ( -0.887 -5.328 -0.636) 5.439 4.905 ( 2.298 3.141 -3.195) 5.035 4.961 ( -4.441 -2.936 -0.058) 5.324 5.248 ( 0.516 -1.277 -1.246) 1.857 6.089 ( -2.799 0.594 5.082) 5.832 6.327 ( -1.256 -11.417 0.454) 11.495 6.568 ( -1.542 -4.326 1.558) 4.850 6.930 ( 2.022 -9.646 1.890) 10.035 7.274 ( -1.454 3.962 3.891) 5.740 7.578 ( -4.377 0.116 -0.375) 4.395 7.614 ( 4.397 -2.409 -1.229) 5.162 7.842 ( 1.498 -6.289 1.905) 6.740 8.065 ( 2.358 7.952 -1.719) 8.471 8.352 ( -0.387 -1.212 -0.057) 1.273 9.284 ( 0.579 -0.864 -2.356) 2.576 9.580 ( 0.792 -5.962 -1.723) 6.256 9.948 ( 0.668 1.009 -1.088) 1.627 10.000 ( 0.557 2.163 1.169) 2.521 10.012 ( -1.573 1.307 1.587) 2.588 10.265 ( -0.838 -3.798 2.727) 4.750 10.537 ( 1.154 4.633 -1.705) 5.070 10.668 ( 0.821 1.303 -2.243) 2.720 10.855 ( 1.271 6.808 -2.149) 7.251 11.089 ( 2.378 -1.411 6.525) 7.087 12.045 ( -0.634 8.935 0.720) 8.987 12.539 ( -1.549 -6.546 0.752) 6.768 12.865 ( 2.305 1.928 -4.257) 5.211 13.062 ( -2.871 -4.304 -2.023) 5.556 ======================= Grid point 109 (54/205) ======================= q-point: ( 0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 12.799 22.301 19.641) 32.357 2.568 ( 8.182 27.165 11.549) 30.631 3.417 ( 0.081 3.149 6.165) 6.924 3.535 ( 2.514 -5.819 1.946) 6.631 3.610 ( 5.837 23.637 6.564) 25.217 3.823 ( 2.312 0.472 2.943) 3.772 4.123 ( 3.464 8.077 1.088) 8.856 4.286 ( 1.255 -1.554 0.155) 2.003 4.450 ( -0.978 -5.844 -1.283) 6.063 4.863 ( -4.609 -1.226 -1.601) 5.031 4.913 ( 0.671 1.042 -1.769) 2.160 5.245 ( 0.131 -1.167 -1.515) 1.917 6.059 ( -3.902 -0.076 3.788) 5.439 6.325 ( 0.127 -8.522 0.396) 8.532 6.511 ( -4.671 -5.130 1.021) 7.013 6.974 ( 0.022 -8.330 2.099) 8.590 7.292 ( 0.450 3.648 2.755) 4.593 7.514 ( -3.103 0.488 3.006) 4.347 7.663 ( 2.683 -3.917 -2.874) 5.550 7.894 ( 1.854 -6.949 2.236) 7.532 8.093 ( 1.271 6.872 -1.151) 7.083 8.362 ( 1.980 -1.271 -0.967) 2.544 9.282 ( 1.277 1.020 -1.298) 2.087 9.584 ( 0.971 -4.766 -1.391) 5.059 9.946 ( -0.068 2.753 -0.899) 2.897 9.993 ( -1.493 -0.356 1.688) 2.282 10.020 ( 0.505 2.840 0.879) 3.016 10.290 ( 0.776 -3.436 3.544) 4.997 10.526 ( -1.028 4.429 -1.566) 4.808 10.672 ( 1.749 1.120 -2.461) 3.220 10.875 ( 1.949 7.326 -1.190) 7.673 11.191 ( 2.044 -4.362 7.265) 8.717 12.043 ( -0.101 8.871 0.690) 8.899 12.536 ( 1.138 -6.335 -0.522) 6.457 12.843 ( -1.328 1.269 -3.326) 3.799 12.996 ( -1.380 -2.889 -3.987) 5.113 ======================= Grid point 110 (55/205) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( 8.910 19.883 15.699) 26.855 2.867 ( 12.826 20.156 12.684) 27.050 3.428 ( -3.184 3.704 5.207) 7.140 3.618 ( 3.566 -0.128 -0.311) 3.581 3.795 ( 5.594 9.055 5.970) 12.204 3.897 ( 5.251 -0.491 1.740) 5.554 4.224 ( 5.240 9.624 2.385) 11.215 4.328 ( 3.320 -0.105 -0.494) 3.358 4.436 ( 1.477 -5.539 -2.095) 6.103 4.779 ( -2.654 -3.995 -1.523) 5.032 4.914 ( -0.210 3.924 1.026) 4.061 5.230 ( 0.026 0.698 -0.958) 1.185 6.012 ( -3.438 -1.378 2.002) 4.210 6.293 ( -4.995 3.274 2.153) 6.349 6.476 ( 1.280 -12.035 0.155) 12.104 6.935 ( -5.492 -2.191 -0.019) 5.913 7.328 ( 1.937 0.443 0.517) 2.053 7.511 ( -1.044 -0.079 5.192) 5.296 7.678 ( 1.097 -6.769 -1.430) 7.005 7.928 ( -0.341 -7.914 1.853) 8.135 8.104 ( 1.704 7.343 -1.304) 7.650 8.407 ( 3.611 -1.949 -1.549) 4.386 9.318 ( 3.048 2.568 -0.098) 3.987 9.591 ( 0.770 -3.369 -1.266) 3.681 9.936 ( -0.529 4.678 -0.201) 4.713 9.981 ( -0.992 0.309 0.884) 1.365 10.031 ( 0.064 2.088 0.620) 2.179 10.337 ( 0.516 -3.550 4.491) 5.748 10.478 ( -2.323 5.606 -2.171) 6.445 10.695 ( 2.720 -0.252 -2.649) 3.805 10.900 ( 1.752 8.177 -1.613) 8.516 11.260 ( -0.313 -4.798 5.869) 7.587 12.051 ( 0.180 8.737 1.048) 8.801 12.568 ( 3.026 -6.344 -1.994) 7.306 12.785 ( -2.172 1.027 -1.388) 2.775 12.944 ( -0.960 -3.635 -4.244) 5.670 ======================= Grid point 111 (56/205) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.037 ( 6.458 14.898 13.489) 21.109 3.180 ( 11.445 15.838 8.617) 21.356 3.372 ( -7.362 6.351 3.548) 10.350 3.610 ( -2.971 6.141 -1.420) 6.968 3.903 ( 3.303 -0.073 3.576) 4.868 4.018 ( 6.167 0.627 -2.771) 6.790 4.302 ( 1.144 3.696 1.461) 4.135 4.391 ( 2.551 -6.379 -0.208) 6.874 4.473 ( 3.712 -4.349 -3.814) 6.873 4.744 ( 0.079 -6.222 -1.775) 6.471 4.911 ( -1.931 5.617 2.989) 6.649 5.283 ( 5.383 4.620 3.084) 7.735 5.976 ( -0.796 -0.660 0.581) 1.186 6.220 ( -4.731 8.847 4.799) 11.121 6.523 ( 3.062 -12.391 -1.112) 12.812 6.777 ( -10.127 5.785 -0.684) 11.683 7.365 ( 2.029 -0.640 -1.493) 2.599 7.540 ( 0.328 -2.485 3.754) 4.514 7.685 ( -1.035 -9.581 2.546) 9.967 7.918 ( -1.461 -7.533 1.689) 7.857 8.143 ( 3.121 6.779 -1.117) 7.546 8.460 ( 3.159 -2.334 -1.564) 4.228 9.382 ( 3.598 2.619 -0.713) 4.507 9.588 ( 0.010 -2.232 -1.655) 2.778 9.921 ( -1.147 5.606 0.009) 5.722 9.971 ( -0.302 1.617 0.006) 1.645 10.031 ( -0.608 1.765 0.657) 1.979 10.361 ( -1.575 -3.841 2.350) 4.770 10.426 ( -0.948 7.045 -1.087) 7.191 10.727 ( 2.719 -1.575 -2.422) 3.968 10.916 ( 1.713 8.823 -2.272) 9.271 11.270 ( -2.326 -3.438 3.210) 5.248 12.064 ( 0.031 8.599 1.625) 8.751 12.600 ( 2.396 -4.772 -3.609) 6.445 12.767 ( 0.853 -0.730 1.333) 1.742 12.892 ( -1.660 -5.183 -2.969) 6.199 ======================= Grid point 112 (57/205) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.187 ( -11.637 12.842 2.051) 17.451 3.224 ( 2.378 8.563 6.234) 10.855 3.423 ( 7.236 11.926 6.129) 15.237 3.520 ( -5.880 7.950 0.793) 9.920 3.956 ( -0.149 -0.011 1.081) 1.092 4.081 ( 3.526 -1.034 -4.531) 5.834 4.285 ( -2.314 1.359 -4.476) 5.219 4.397 ( 0.569 -6.105 -3.106) 6.873 4.498 ( 2.222 -8.182 -1.976) 8.706 4.743 ( 1.244 -6.235 -1.557) 6.546 4.920 ( -0.343 4.805 5.956) 7.660 5.391 ( 0.933 0.435 1.882) 2.145 6.010 ( 3.337 3.073 0.715) 4.593 6.198 ( -3.895 11.982 7.511) 14.668 6.536 ( 0.350 -1.748 -2.432) 3.016 6.638 ( -3.194 -0.033 3.244) 4.553 7.366 ( 0.169 1.525 -3.463) 3.787 7.584 ( 2.183 -4.689 0.984) 5.265 7.668 ( -4.418 -10.328 5.617) 12.559 7.916 ( -0.460 -7.448 2.305) 7.810 8.184 ( 1.720 6.038 -0.919) 6.345 8.493 ( 1.592 -2.357 -1.542) 3.236 9.415 ( 1.041 1.523 -3.557) 4.007 9.571 ( -0.170 -2.082 -1.564) 2.610 9.898 ( -0.826 5.993 -0.293) 6.056 9.971 ( 0.470 3.159 -0.529) 3.237 10.020 ( -1.049 1.377 0.666) 1.855 10.324 ( -1.445 0.658 -2.141) 2.665 10.429 ( 0.037 3.261 2.192) 3.930 10.751 ( 1.608 -2.009 -2.205) 3.389 10.930 ( 1.840 8.426 -2.608) 9.010 11.231 ( -3.210 -1.752 0.506) 3.692 12.076 ( -0.357 8.653 2.046) 8.899 12.608 ( 1.934 -2.135 -3.392) 4.450 12.815 ( -0.246 -0.554 1.182) 1.329 12.853 ( 1.497 -9.400 0.291) 9.523 ======================= Grid point 113 (58/205) ======================= q-point: (-0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.915 ( -14.809 18.076 -2.595) 23.511 3.276 ( -12.617 11.381 -0.158) 16.992 3.326 ( -2.244 7.124 3.319) 8.174 3.616 ( 5.579 5.117 4.267) 8.690 3.908 ( -4.676 -3.552 -1.184) 5.990 4.026 ( -4.490 -4.625 -8.429) 10.611 4.220 ( 1.496 -0.660 -4.989) 5.250 4.407 ( 1.527 -2.750 0.098) 3.147 4.524 ( 1.851 -2.651 -1.482) 3.557 4.767 ( 1.473 -3.709 -0.216) 3.997 4.970 ( -0.422 4.583 6.057) 7.607 5.334 ( -5.741 1.803 -0.017) 6.017 6.077 ( 2.637 2.805 1.552) 4.152 6.146 ( -6.406 10.683 7.304) 14.440 6.583 ( 2.107 -11.213 -0.479) 11.419 6.686 ( 5.545 5.301 5.056) 9.188 7.331 ( -0.386 2.830 -4.131) 5.022 7.603 ( -4.614 -13.660 2.532) 14.639 7.636 ( 0.632 0.451 2.784) 2.890 7.926 ( -0.594 -7.003 1.889) 7.278 8.185 ( -0.908 5.742 -0.863) 5.877 8.493 ( -0.248 -2.549 -1.633) 3.037 9.366 ( -1.767 0.851 -5.164) 5.524 9.562 ( 0.425 -3.607 -1.430) 3.903 9.895 ( 0.899 5.797 -0.604) 5.897 9.977 ( 0.140 4.970 0.143) 4.974 10.007 ( -0.429 0.183 -0.141) 0.487 10.290 ( -0.243 1.373 -2.470) 2.836 10.450 ( 0.387 2.818 1.918) 3.430 10.751 ( 0.349 -1.906 -2.324) 3.025 10.939 ( 1.371 7.266 -3.085) 8.012 11.166 ( -3.304 -0.205 -1.254) 3.540 12.082 ( -0.777 8.874 2.098) 9.151 12.631 ( 3.158 -0.569 -2.567) 4.109 12.768 ( -3.446 -4.420 0.476) 5.624 12.944 ( 4.474 -7.860 3.087) 9.556 ======================= Grid point 114 (59/205) ======================= q-point: (-0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( -14.342 23.581 -2.537) 27.717 2.891 ( -21.724 17.019 -5.842) 28.208 3.353 ( -0.367 3.053 3.153) 4.404 3.681 ( -2.627 -5.378 -0.154) 5.987 3.809 ( -2.884 -0.897 -0.358) 3.042 3.858 ( -5.653 -1.962 -6.324) 8.706 4.225 ( 0.727 0.577 -1.672) 1.913 4.438 ( 1.922 -4.049 -0.807) 4.554 4.515 ( -4.637 5.639 1.691) 7.494 4.770 ( -0.082 2.913 -0.308) 2.930 4.990 ( -0.776 4.066 4.474) 6.095 5.266 ( -1.400 0.733 1.134) 1.945 6.077 ( -4.096 4.806 6.369) 8.969 6.186 ( 4.854 2.329 2.745) 6.043 6.574 ( -2.737 -12.810 2.242) 13.289 6.834 ( 5.415 -0.743 1.000) 5.557 7.297 ( 0.271 4.275 -3.647) 5.625 7.525 ( -6.181 -10.482 5.339) 13.289 7.678 ( 2.693 0.027 -1.082) 2.902 7.912 ( -1.889 -5.675 0.150) 5.983 8.143 ( -2.547 5.990 -1.025) 6.589 8.461 ( -1.634 -2.669 -1.763) 3.592 9.299 ( -0.972 0.319 -4.146) 4.271 9.564 ( 0.818 -5.567 -1.020) 5.718 9.916 ( 1.677 4.539 -0.746) 4.896 9.972 ( -1.390 5.232 1.842) 5.718 10.009 ( 1.235 0.195 -1.478) 1.936 10.275 ( 0.134 0.681 -1.153) 1.346 10.473 ( 0.950 3.427 0.678) 3.620 10.729 ( -0.426 -1.813 -2.781) 3.347 10.930 ( 0.571 6.397 -3.879) 7.503 11.094 ( -3.160 1.107 -1.432) 3.642 12.079 ( -1.154 9.082 1.837) 9.338 12.684 ( 3.568 -2.433 -1.478) 4.564 12.706 ( -3.083 -2.158 0.568) 3.806 13.046 ( 3.484 -8.474 3.252) 9.722 ======================= Grid point 115 (60/205) ======================= q-point: (-0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( -17.208 25.049 -1.040) 30.408 2.484 ( -14.037 26.464 -3.233) 30.130 3.361 ( -1.037 1.963 2.401) 3.270 3.558 ( -5.992 -16.126 -2.445) 17.376 3.707 ( -7.228 9.912 0.770) 12.292 3.806 ( -0.882 3.566 0.219) 3.680 4.198 ( -3.723 5.161 0.891) 6.425 4.381 ( -7.459 5.653 0.847) 9.398 4.470 ( 1.192 -3.246 0.285) 3.469 4.805 ( 3.788 3.869 -0.863) 5.483 5.019 ( -0.151 1.011 3.597) 3.739 5.262 ( -0.266 -1.366 -0.034) 1.392 6.069 ( -2.269 2.229 6.413) 7.159 6.306 ( 5.142 -1.246 1.507) 5.502 6.536 ( -3.369 -10.968 4.046) 12.166 6.889 ( 1.476 -6.633 -1.814) 7.033 7.286 ( 0.338 4.735 -1.111) 4.875 7.479 ( -2.409 -6.587 4.799) 8.498 7.702 ( 0.949 -1.031 -2.582) 2.938 7.865 ( -2.418 -4.769 -0.875) 5.418 8.087 ( -2.066 6.808 -1.486) 7.269 8.414 ( -1.913 -2.424 -1.386) 3.385 9.274 ( 0.966 -0.401 -2.542) 2.748 9.574 ( 0.911 -6.732 -0.891) 6.852 9.937 ( 1.102 2.295 -0.930) 2.710 9.966 ( -0.774 4.994 2.345) 5.571 10.021 ( 0.925 0.551 -1.087) 1.530 10.274 ( -0.431 -1.013 1.276) 1.685 10.495 ( 1.588 4.376 -0.980) 4.758 10.697 ( -0.311 -1.126 -3.186) 3.394 10.902 ( 0.074 6.066 -4.499) 7.553 11.034 ( -2.504 1.955 0.477) 3.213 12.069 ( -1.321 9.143 1.431) 9.348 12.638 ( -4.237 -7.104 1.866) 8.480 12.760 ( 5.229 2.924 -2.778) 6.604 13.113 ( 1.102 -8.497 2.270) 8.864 ======================= Grid point 116 (61/205) ======================= q-point: (-0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( -11.071 28.013 7.566) 31.057 2.335 ( -3.025 32.409 2.029) 32.614 3.353 ( -1.572 1.302 2.526) 3.247 3.473 ( -2.854 -15.093 1.922) 15.480 3.596 ( -6.424 20.389 4.636) 21.874 3.776 ( -1.961 5.883 0.402) 6.214 4.119 ( -4.283 7.845 1.289) 9.030 4.300 ( -2.446 -1.191 0.696) 2.808 4.487 ( 0.243 -4.496 0.005) 4.503 4.868 ( 3.953 3.048 -2.506) 5.586 5.020 ( -2.505 -1.018 2.142) 3.449 5.252 ( -0.083 -1.570 -1.120) 1.931 6.084 ( -1.601 0.872 6.002) 6.273 6.354 ( -0.970 -8.366 0.593) 8.443 6.544 ( 0.908 -6.044 3.472) 7.029 6.895 ( 1.074 -8.790 -0.738) 8.886 7.280 ( -1.678 3.526 2.708) 4.752 7.523 ( 3.742 -2.514 2.208) 5.020 7.664 ( -2.654 -1.416 -2.707) 4.046 7.827 ( -0.860 -5.015 -0.022) 5.089 8.054 ( 0.213 7.924 -1.997) 8.174 8.373 ( -1.565 -1.812 -0.479) 2.441 9.283 ( 1.468 -1.263 -2.120) 2.872 9.580 ( 0.692 -6.729 -1.495) 6.928 9.943 ( 0.509 1.036 -0.683) 1.341 9.980 ( 0.322 4.106 1.693) 4.453 10.024 ( -0.224 0.443 0.046) 0.499 10.271 ( -1.660 -3.252 2.766) 4.581 10.518 ( 2.135 5.122 -1.972) 5.889 10.675 ( 0.426 0.233 -2.724) 2.767 10.868 ( 0.076 6.314 -3.990) 7.470 11.024 ( -0.102 1.419 3.834) 4.090 12.055 ( -1.121 9.051 1.018) 9.176 12.578 ( -3.502 -6.916 1.610) 7.918 12.829 ( 4.617 2.736 -3.656) 6.494 13.116 ( -1.749 -6.993 0.267) 7.214 ======================= Grid point 117 (62/205) ======================= q-point: ( 0.00 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( 3.281 26.090 12.801) 29.246 2.912 ( 2.161 22.463 3.893) 22.900 3.087 ( 2.837 -20.991 8.879) 22.968 3.285 ( 0.902 -13.329 3.963) 13.935 3.828 ( 1.939 5.722 -0.603) 6.071 3.862 ( 0.804 2.556 -0.727) 2.776 4.252 ( -0.795 0.797 0.761) 1.359 4.310 ( -1.164 -1.427 1.878) 2.630 4.481 ( -2.978 17.799 1.869) 18.142 4.788 ( -2.618 -11.347 0.674) 11.665 5.059 ( 0.174 7.778 -2.920) 8.310 5.191 ( 0.881 -5.116 -2.193) 5.636 6.100 ( -3.443 1.002 4.639) 5.863 6.158 ( -3.241 -5.840 3.044) 7.340 6.551 ( -0.672 3.235 2.815) 4.341 6.701 ( 0.828 -11.833 3.370) 12.331 7.404 ( 0.189 8.598 2.315) 8.906 7.548 ( 0.829 -5.026 0.956) 5.183 7.607 ( -0.902 2.508 -0.470) 2.707 7.697 ( 0.357 -7.309 0.525) 7.336 8.207 ( 1.932 6.535 -2.684) 7.324 8.306 ( 0.788 -3.753 -1.599) 4.155 9.327 ( 0.894 4.988 -0.521) 5.094 9.450 ( 0.855 -7.208 -0.148) 7.261 9.963 ( 0.159 0.883 -0.219) 0.923 9.983 ( -0.457 -1.082 0.366) 1.230 10.104 ( -0.290 4.868 1.455) 5.089 10.189 ( -0.356 -4.139 1.712) 4.493 10.617 ( 0.975 3.531 -2.039) 4.192 10.665 ( 0.900 -1.439 -1.876) 2.530 10.973 ( 1.201 5.283 0.059) 5.418 11.051 ( 1.349 -2.924 3.049) 4.435 12.224 ( -0.615 9.530 0.284) 9.554 12.396 ( -0.960 -8.385 0.338) 8.446 12.910 ( 0.789 2.943 -3.159) 4.389 12.978 ( -0.860 -4.188 -2.271) 4.841 ======================= Grid point 118 (63/205) ======================= q-point: ( 0.11 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( 9.689 21.264 14.232) 27.360 3.020 ( 4.859 18.035 6.560) 19.797 3.270 ( 7.447 -15.782 10.858) 20.553 3.354 ( 1.918 -9.893 6.437) 11.958 3.852 ( 1.362 5.235 0.568) 5.439 3.884 ( 1.345 2.164 0.197) 2.556 4.250 ( 0.341 1.234 0.654) 1.437 4.321 ( 0.830 -5.467 -0.376) 5.542 4.469 ( 0.464 17.479 0.659) 17.498 4.731 ( -3.138 -9.994 -1.448) 10.575 5.048 ( 0.720 9.134 -1.423) 9.272 5.193 ( 0.876 -5.006 -1.273) 5.239 6.065 ( -2.941 1.975 2.546) 4.362 6.161 ( 1.317 -7.724 1.727) 8.023 6.528 ( -4.046 6.645 3.405) 8.493 6.736 ( -0.502 -13.866 4.214) 14.501 7.420 ( -0.693 8.293 2.158) 8.597 7.540 ( -1.971 -1.428 3.685) 4.416 7.603 ( 0.614 0.857 -2.583) 2.789 7.726 ( 1.537 -9.303 0.984) 9.480 8.222 ( 1.835 6.157 -2.613) 6.936 8.317 ( 1.900 -3.630 -1.999) 4.559 9.351 ( 1.705 5.587 0.654) 5.878 9.472 ( 1.360 -6.604 0.615) 6.771 9.969 ( 0.646 0.573 -0.458) 0.977 9.980 ( -0.155 -0.642 0.465) 0.808 10.114 ( 0.006 5.417 1.666) 5.667 10.211 ( 0.823 -4.673 2.278) 5.263 10.608 ( -0.098 3.867 -2.102) 4.402 10.664 ( 0.708 -1.816 -2.085) 2.855 11.008 ( 1.883 6.319 0.926) 6.658 11.111 ( 1.814 -4.536 3.862) 6.228 12.222 ( 0.291 9.537 -0.021) 9.542 12.395 ( 0.782 -8.396 -0.342) 8.439 12.877 ( -1.469 2.392 -3.231) 4.280 12.933 ( -1.517 -3.405 -3.233) 4.934 ======================= Grid point 119 (64/205) ======================= q-point: ( 0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.119 ( 7.229 15.118 9.567) 19.296 3.194 ( 7.800 11.631 7.616) 15.941 3.435 ( 1.225 -3.075 7.959) 8.620 3.503 ( 7.555 -9.109 7.858) 14.205 3.903 ( 1.468 3.431 2.723) 4.619 3.921 ( 3.726 1.437 1.783) 4.374 4.267 ( 0.780 0.059 -0.610) 0.992 4.322 ( 0.933 -4.626 -2.845) 5.510 4.483 ( 0.456 9.663 -1.410) 9.776 4.656 ( -2.882 -8.197 -2.620) 9.075 5.064 ( 0.372 9.623 1.652) 9.771 5.209 ( 1.232 -4.329 0.943) 4.599 6.045 ( 0.004 6.234 0.294) 6.241 6.221 ( 3.914 -10.697 0.062) 11.391 6.475 ( -4.428 11.666 4.842) 13.384 6.750 ( -1.238 -15.069 4.155) 15.680 7.401 ( -2.548 6.815 0.796) 7.319 7.541 ( -2.004 -6.897 2.271) 7.532 7.587 ( -0.132 6.538 0.279) 6.545 7.753 ( 0.341 -9.758 1.034) 9.818 8.241 ( 2.446 6.633 -2.337) 7.445 8.347 ( 3.071 -4.383 -2.172) 5.776 9.400 ( 2.573 5.418 1.134) 6.104 9.506 ( 1.541 -5.343 0.610) 5.594 9.977 ( 0.675 0.636 -0.753) 1.195 9.982 ( 0.149 -0.057 0.069) 0.174 10.127 ( -0.392 6.440 2.103) 6.786 10.245 ( 0.333 -5.740 2.996) 6.484 10.584 ( -0.409 5.080 -2.544) 5.696 10.663 ( 1.203 -3.022 -2.676) 4.212 11.048 ( 1.477 7.119 0.727) 7.307 11.166 ( 0.826 -5.398 3.420) 6.443 12.233 ( 0.855 9.959 -0.069) 9.996 12.417 ( 2.027 -9.111 -0.883) 9.375 12.817 ( -2.071 2.466 -2.508) 4.081 12.876 ( -1.856 -3.493 -3.179) 5.074 ======================= Grid point 120 (65/205) ======================= q-point: ( 0.33 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.277 ( 3.417 9.560 7.044) 12.356 3.365 ( 3.123 1.494 5.012) 6.091 3.510 ( 2.018 8.649 5.374) 10.381 3.641 ( 2.244 -3.779 2.272) 4.947 3.966 ( 2.543 6.398 4.447) 8.197 4.032 ( 5.396 0.208 0.286) 5.408 4.258 ( 0.245 -3.109 -1.950) 3.678 4.316 ( 0.407 -7.070 -3.452) 7.879 4.449 ( -1.942 5.995 -2.553) 6.799 4.598 ( -1.248 -8.586 -1.615) 8.825 5.067 ( -1.843 9.998 3.026) 10.607 5.250 ( 0.798 -7.638 3.173) 8.310 6.079 ( 3.826 9.878 -1.240) 10.666 6.288 ( 3.390 -11.650 -1.251) 12.198 6.464 ( -1.217 16.081 6.876) 17.532 6.754 ( -1.885 -10.533 3.371) 11.219 7.354 ( -2.313 3.169 0.515) 3.957 7.479 ( -3.643 -7.784 -2.105) 8.849 7.614 ( -0.588 5.320 5.749) 7.855 7.760 ( -0.453 -8.714 1.694) 8.888 8.277 ( 2.944 6.811 -1.916) 7.663 8.391 ( 3.107 -4.935 -2.010) 6.169 9.452 ( 2.227 4.245 -0.231) 4.799 9.530 ( 0.827 -3.731 -0.633) 3.874 9.977 ( 0.103 1.184 -1.029) 1.572 9.988 ( 0.532 0.009 -0.587) 0.793 10.129 ( -1.327 7.128 2.387) 7.634 10.261 ( -1.156 -6.346 2.728) 7.003 10.561 ( 0.362 6.649 -2.832) 7.236 10.669 ( 1.856 -4.501 -3.054) 5.747 11.071 ( 0.726 7.315 -0.030) 7.351 11.190 ( -0.635 -5.148 2.060) 5.581 12.251 ( 0.899 10.586 0.267) 10.627 12.451 ( 2.292 -9.987 -1.018) 10.297 12.774 ( -0.794 1.598 -1.286) 2.199 12.820 ( -1.737 -2.986 -2.216) 4.105 ======================= Grid point 121 (66/205) ======================= q-point: ( 0.44 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.357 ( -0.013 4.512 4.229) 6.184 3.363 ( -5.378 4.544 2.903) 7.616 3.601 ( 3.635 6.121 2.143) 7.435 3.640 ( -2.729 2.990 0.106) 4.049 3.988 ( -2.912 4.528 -2.266) 5.842 4.074 ( -0.700 -1.386 -4.673) 4.924 4.228 ( -0.477 -2.438 -5.432) 5.973 4.309 ( 2.082 -8.398 -1.938) 8.867 4.438 ( 2.308 5.931 2.345) 6.783 4.591 ( 1.223 -9.002 0.562) 9.102 5.066 ( -1.160 10.008 4.848) 11.181 5.271 ( -1.254 -10.381 3.184) 10.931 6.142 ( 3.363 8.893 -1.433) 9.615 6.329 ( 2.080 -10.460 -0.844) 10.698 6.511 ( -1.594 16.939 6.800) 18.323 6.727 ( -2.599 -1.733 2.500) 4.001 7.346 ( 0.867 -2.341 0.311) 2.516 7.399 ( -3.423 -8.183 0.247) 8.873 7.641 ( -1.248 4.466 5.827) 7.447 7.768 ( -0.333 -7.830 2.354) 8.183 8.308 ( 1.657 6.596 -1.728) 7.017 8.422 ( 1.691 -5.045 -1.976) 5.676 9.463 ( 0.069 3.146 -2.943) 4.309 9.523 ( -0.342 -2.897 -2.187) 3.646 9.970 ( 0.279 2.030 -1.451) 2.511 9.992 ( 0.644 -0.421 -1.050) 1.302 10.118 ( -1.656 7.271 2.369) 7.825 10.250 ( -1.592 -6.150 1.788) 6.599 10.554 ( 1.136 7.413 -2.637) 7.950 10.679 ( 1.710 -5.383 -3.142) 6.463 11.075 ( 0.134 6.633 -0.913) 6.697 11.177 ( -1.652 -4.049 0.451) 4.396 12.268 ( 0.492 11.196 0.811) 11.236 12.483 ( 1.697 -10.479 -0.555) 10.630 12.764 ( -0.133 -0.103 -0.902) 0.918 12.790 ( 0.521 -1.894 -0.190) 1.973 ======================= Grid point 122 (67/205) ======================= q-point: (-0.44 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.227 ( -8.621 13.165 -1.120) 15.776 3.363 ( -2.690 -0.877 2.788) 3.972 3.516 ( -10.351 9.576 -2.473) 14.316 3.646 ( -1.781 -3.105 -0.311) 3.593 3.861 ( -5.264 0.188 -4.443) 6.891 3.926 ( -5.339 -5.468 -8.837) 11.683 4.232 ( 3.155 3.184 -3.812) 5.884 4.327 ( 2.545 -5.610 -3.930) 7.307 4.539 ( 4.124 4.199 4.759) 7.569 4.655 ( 3.451 -7.061 3.181) 8.478 5.096 ( -0.496 8.290 5.493) 9.957 5.259 ( -2.345 -7.818 2.590) 8.563 6.180 ( 1.657 7.406 -0.018) 7.589 6.351 ( 0.338 -9.957 0.724) 9.989 6.458 ( -7.785 17.881 4.988) 20.130 6.724 ( -1.103 -5.966 2.476) 6.553 7.348 ( 0.317 -0.724 -0.849) 1.160 7.389 ( -0.044 -6.268 2.320) 6.683 7.665 ( -0.595 3.916 4.899) 6.300 7.783 ( -0.213 -7.603 2.347) 7.960 8.305 ( -0.446 6.518 -1.842) 6.788 8.419 ( -0.223 -5.131 -2.145) 5.566 9.413 ( -1.779 3.596 -4.482) 6.015 9.489 ( -0.897 -4.064 -3.068) 5.171 9.968 ( 0.818 2.299 -1.605) 2.921 9.996 ( 0.661 -0.769 -1.164) 1.543 10.109 ( -1.183 7.326 2.205) 7.742 10.236 ( -1.158 -5.551 1.251) 5.806 10.559 ( 1.438 6.945 -2.492) 7.517 10.680 ( 1.018 -5.343 -3.305) 6.365 11.062 ( -0.381 5.433 -1.763) 5.725 11.140 ( -2.104 -2.677 -0.756) 3.488 12.279 ( -0.236 11.500 1.166) 11.561 12.503 ( 0.344 -11.218 0.299) 11.227 12.758 ( 0.748 2.919 -0.684) 3.090 12.833 ( 2.952 -4.640 1.144) 5.617 ======================= Grid point 123 (68/205) ======================= q-point: (-0.33 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.043 ( -9.663 19.964 -2.606) 22.332 3.204 ( -15.548 14.796 -4.981) 22.033 3.333 ( -3.606 -7.120 0.131) 7.982 3.471 ( -11.885 -13.225 -5.612) 18.645 3.812 ( 0.048 -0.530 -2.293) 2.354 3.817 ( -0.109 -1.166 -3.538) 3.727 4.259 ( 1.912 3.476 -1.912) 4.404 4.346 ( 2.016 -5.094 -2.287) 5.937 4.632 ( 1.264 6.131 4.257) 7.570 4.740 ( 2.867 -4.709 2.551) 6.075 5.112 ( -2.059 7.227 4.165) 8.592 5.231 ( -2.128 -4.599 1.752) 5.362 6.196 ( -2.235 6.957 3.757) 8.217 6.355 ( -2.130 -9.495 2.159) 9.968 6.372 ( -2.813 16.005 4.096) 16.759 6.697 ( -2.842 -14.345 1.343) 14.685 7.362 ( 1.739 2.077 -1.410) 3.053 7.395 ( -0.858 -2.433 1.900) 3.204 7.691 ( -0.296 2.455 3.003) 3.890 7.787 ( -1.107 -6.790 1.119) 6.970 8.268 ( -1.552 6.736 -2.227) 7.262 8.385 ( -1.323 -5.221 -2.416) 5.903 9.350 ( -1.188 4.492 -3.584) 5.868 9.453 ( -0.421 -5.912 -2.388) 6.390 9.972 ( 0.802 1.936 -1.431) 2.538 9.997 ( 0.311 -0.699 -0.937) 1.210 10.107 ( -0.829 7.036 1.937) 7.344 10.226 ( -1.120 -4.999 1.405) 5.312 10.569 ( 1.784 5.739 -2.557) 6.531 10.668 ( 0.762 -4.424 -3.473) 5.676 11.034 ( -0.872 4.350 -2.349) 5.019 11.091 ( -2.274 -1.556 -1.168) 2.993 12.277 ( -1.031 11.296 1.192) 11.405 12.496 ( -1.578 -11.397 0.968) 11.546 12.788 ( 2.918 5.441 -0.635) 6.207 12.903 ( 3.312 -6.695 1.269) 7.577 ======================= Grid point 124 (69/205) ======================= q-point: (-0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( -14.600 23.186 -2.630) 27.526 2.961 ( -6.465 22.222 -1.998) 23.230 3.203 ( -10.478 -20.607 -3.091) 23.324 3.287 ( -2.693 -10.934 0.202) 11.263 3.784 ( 0.592 2.886 -2.290) 3.732 3.836 ( 1.628 -1.317 -0.819) 2.249 4.268 ( -0.282 3.726 0.376) 3.756 4.358 ( 0.122 -5.183 -0.384) 5.199 4.628 ( -4.730 12.351 3.499) 13.680 4.798 ( 1.488 -5.087 1.612) 5.540 5.097 ( -1.706 6.458 1.979) 6.967 5.210 ( -0.999 -4.507 -0.035) 4.617 6.160 ( -5.181 7.147 6.796) 11.140 6.298 ( -5.291 -5.187 3.452) 8.174 6.423 ( 3.232 5.429 3.020) 7.003 6.664 ( -1.100 -15.402 0.409) 15.446 7.375 ( 0.574 3.890 -0.802) 4.013 7.416 ( 2.130 -1.001 1.516) 2.800 7.689 ( -1.646 0.741 0.880) 2.008 7.756 ( -2.339 -5.786 -0.178) 6.243 8.224 ( -0.865 7.055 -2.667) 7.592 8.342 ( -1.047 -5.087 -2.412) 5.726 9.320 ( 0.188 4.827 -1.912) 5.196 9.438 ( 0.294 -7.125 -1.170) 7.226 9.972 ( 0.181 1.535 -0.894) 1.786 9.993 ( 0.052 -0.590 -0.636) 0.869 10.106 ( -0.855 6.197 1.658) 6.472 10.214 ( -1.638 -4.798 1.915) 5.419 10.585 ( 2.135 4.609 -2.586) 5.700 10.659 ( 1.117 -2.974 -3.190) 4.502 10.997 ( -0.955 3.803 -2.347) 4.570 11.044 ( -1.879 -1.001 -0.448) 2.176 12.261 ( -1.511 10.693 0.995) 10.845 12.463 ( -2.632 -10.306 1.158) 10.699 12.846 ( 3.745 5.523 -1.223) 6.785 12.966 ( 2.386 -7.021 0.499) 7.432 ======================= Grid point 125 (70/205) ======================= q-point: (-0.11 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( -7.371 26.640 5.049) 28.099 2.886 ( -1.513 24.676 0.817) 24.736 3.054 ( -4.561 -23.138 2.923) 23.764 3.262 ( -0.834 -13.684 1.769) 13.823 3.795 ( 1.994 5.237 -1.394) 5.775 3.855 ( 0.979 0.175 -0.859) 1.314 4.260 ( -1.090 2.973 1.330) 3.434 4.339 ( -2.287 -3.642 0.989) 4.413 4.546 ( -5.826 17.385 3.070) 18.590 4.815 ( -0.973 -8.956 1.440) 9.123 5.080 ( -0.614 6.335 -1.054) 6.451 5.195 ( 0.279 -4.775 -1.829) 5.121 6.125 ( -4.094 3.772 6.259) 8.377 6.221 ( -5.888 -5.884 4.091) 9.276 6.507 ( 2.791 2.961 2.703) 4.885 6.666 ( 0.606 -12.629 1.311) 12.712 7.384 ( 0.344 6.722 1.188) 6.834 7.486 ( 3.919 -2.886 0.888) 4.947 7.649 ( -2.630 0.571 -0.102) 2.693 7.712 ( -1.864 -5.796 -0.187) 6.092 8.201 ( 0.788 7.087 -2.802) 7.662 8.313 ( -0.130 -4.531 -1.929) 4.926 9.319 ( 0.762 4.701 -1.096) 4.886 9.440 ( 0.568 -7.408 -0.644) 7.457 9.967 ( -0.214 1.312 -0.314) 1.365 9.989 ( -0.216 -0.916 -0.205) 0.963 10.103 ( -0.714 5.236 1.461) 5.483 10.196 ( -1.690 -4.499 1.913) 5.173 10.605 ( 1.958 3.878 -2.312) 4.922 10.661 ( 1.303 -1.826 -2.387) 3.275 10.969 ( -0.213 4.204 -1.454) 4.454 11.024 ( -0.381 -1.460 1.284) 1.981 12.239 ( -1.365 9.989 0.665) 10.104 12.423 ( -2.338 -9.104 0.905) 9.443 12.896 ( 2.854 4.329 -2.262) 5.657 12.994 ( 0.681 -5.863 -0.866) 5.966 ======================= Grid point 162 (71/205) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 7.923 0.000 32.235) 33.195 1.470 ( -8.027 0.000 33.784) 34.724 2.484 ( -4.083 0.000 55.441) 55.591 3.259 ( -1.101 0.000 1.559) 1.908 3.360 ( -3.616 0.000 -5.079) 6.235 4.027 ( -1.132 0.000 -1.681) 2.027 4.219 ( -4.767 0.000 -0.947) 4.860 4.442 ( 0.704 0.000 1.288) 1.468 4.483 ( 6.664 0.000 4.173) 7.863 4.741 ( 4.636 0.000 -8.006) 9.251 5.119 ( -0.700 0.000 1.316) 1.491 5.226 ( -2.077 0.000 -1.336) 2.469 6.384 ( -18.066 0.000 0.562) 18.074 6.537 ( -4.480 0.000 1.925) 4.876 6.984 ( -0.222 0.000 -2.379) 2.390 7.121 ( 5.438 0.000 -0.743) 5.488 7.281 ( 2.326 0.000 8.593) 8.902 7.455 ( 4.692 0.000 -6.389) 7.926 7.599 ( 5.092 0.000 -6.650) 8.376 7.746 ( -4.060 0.000 9.379) 10.220 8.163 ( 2.824 0.000 5.935) 6.572 8.395 ( -1.646 0.000 1.780) 2.424 9.392 ( 2.061 0.000 -12.808) 12.973 9.517 ( 0.164 0.000 -2.719) 2.724 9.821 ( -0.574 0.000 -0.510) 0.768 9.917 ( 0.019 0.000 -4.895) 4.895 10.100 ( 1.675 0.000 0.384) 1.719 10.243 ( 2.278 0.000 -0.576) 2.350 10.393 ( -3.593 0.000 4.899) 6.075 10.521 ( -2.922 0.000 8.609) 9.092 10.723 ( -0.237 0.000 -1.720) 1.736 11.496 ( 20.799 0.000 -9.524) 22.876 12.011 ( 11.856 0.000 4.116) 12.551 12.527 ( 1.699 0.000 -2.991) 3.440 12.854 ( -3.302 0.000 0.853) 3.410 12.985 ( -23.058 0.000 -0.974) 23.079 ======================= Grid point 163 (72/205) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 8.666 0.000 30.089) 31.312 1.953 ( 21.309 0.000 29.147) 36.105 2.976 ( 12.769 0.000 46.139) 47.873 3.280 ( 1.587 0.000 3.033) 3.423 3.317 ( 3.559 0.000 -5.924) 6.911 3.972 ( -2.421 0.000 -3.034) 3.882 4.084 ( -8.621 0.000 -1.064) 8.687 4.453 ( -0.831 0.000 2.478) 2.614 4.649 ( 6.509 0.000 4.277) 7.789 4.747 ( 3.286 0.000 -8.683) 9.283 5.108 ( -1.860 0.000 1.126) 2.174 5.156 ( -3.578 0.000 -2.713) 4.490 6.125 ( -11.930 0.000 6.027) 13.366 6.442 ( -6.180 0.000 0.462) 6.198 6.900 ( -5.427 0.000 -7.231) 9.041 7.217 ( 4.384 0.000 0.877) 4.471 7.325 ( -2.453 0.000 5.944) 6.430 7.493 ( 3.805 0.000 -5.783) 6.923 7.616 ( 4.291 0.000 -10.047) 10.925 7.808 ( 1.287 0.000 11.904) 11.974 8.280 ( 3.937 0.000 5.800) 7.010 8.386 ( -0.456 0.000 1.001) 1.100 9.333 ( 1.491 0.000 -10.135) 10.244 9.498 ( 0.310 0.000 -2.713) 2.731 9.805 ( -0.225 0.000 -1.184) 1.206 9.882 ( 0.289 0.000 -4.222) 4.232 10.120 ( 0.392 0.000 -0.352) 0.527 10.289 ( 2.215 0.000 0.343) 2.241 10.409 ( 0.581 0.000 4.973) 5.007 10.477 ( -7.080 0.000 5.428) 8.921 10.709 ( 0.099 0.000 -1.835) 1.837 11.572 ( -0.318 0.000 -7.589) 7.596 12.200 ( -0.769 0.000 1.338) 1.543 12.526 ( 1.475 0.000 -4.803) 5.024 12.783 ( 3.441 0.000 1.318) 3.685 12.815 ( -2.089 0.000 2.677) 3.396 ======================= Grid point 164 (73/205) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 16.913 0.000 23.969) 29.335 2.536 ( 15.643 0.000 28.520) 32.529 3.327 ( 1.260 0.000 4.490) 4.663 3.366 ( 3.791 0.000 -3.218) 4.973 3.655 ( 23.707 0.000 31.368) 39.319 3.901 ( -8.519 0.000 -2.286) 8.821 3.913 ( 0.358 0.000 -4.867) 4.880 4.445 ( -2.217 0.000 2.576) 3.398 4.732 ( 2.503 0.000 -8.821) 9.169 4.758 ( 1.885 0.000 0.986) 2.127 5.069 ( -2.615 0.000 -2.662) 3.732 5.069 ( -2.794 0.000 1.023) 2.976 6.021 ( -5.334 0.000 7.104) 8.884 6.335 ( -4.581 0.000 -0.977) 4.684 6.646 ( -14.570 0.000 -9.168) 17.214 7.283 ( 1.343 0.000 1.687) 2.156 7.328 ( -3.572 0.000 9.308) 9.970 7.505 ( 3.517 0.000 -7.663) 8.431 7.626 ( 5.889 0.000 -11.481) 12.903 7.945 ( 2.686 0.000 12.228) 12.520 8.372 ( 1.343 0.000 3.767) 3.999 8.398 ( 1.136 0.000 0.462) 1.226 9.305 ( 3.189 0.000 -7.246) 7.916 9.486 ( 0.590 0.000 -2.730) 2.793 9.798 ( 0.786 0.000 -1.853) 2.013 9.861 ( 0.322 0.000 -3.187) 3.204 10.114 ( -0.229 0.000 -1.253) 1.274 10.268 ( -7.459 0.000 1.835) 7.682 10.407 ( -0.803 0.000 1.196) 1.441 10.469 ( 1.408 0.000 4.445) 4.663 10.703 ( 0.884 0.000 -1.370) 1.631 11.456 ( -5.357 0.000 -6.283) 8.257 12.125 ( -7.442 0.000 7.445) 10.527 12.507 ( 1.253 0.000 -6.193) 6.319 12.822 ( -0.603 0.000 5.265) 5.300 12.949 ( 11.528 0.000 -4.007) 12.204 ======================= Grid point 165 (74/205) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( 17.955 0.000 18.200) 25.566 2.954 ( 7.175 0.000 23.476) 24.548 3.286 ( -13.883 0.000 10.014) 17.118 3.343 ( -6.521 0.000 2.362) 6.935 3.824 ( 4.378 0.000 -1.573) 4.652 3.934 ( 6.539 0.000 -7.382) 9.862 4.264 ( 19.832 0.000 10.508) 22.444 4.409 ( -3.490 0.000 2.122) 4.085 4.704 ( 1.869 0.000 -8.482) 8.685 4.714 ( -3.920 0.000 -5.193) 6.506 5.048 ( -0.634 0.000 3.366) 3.425 5.050 ( 1.391 0.000 0.230) 1.410 6.015 ( -2.176 0.000 7.839) 8.135 6.273 ( -0.436 0.000 -2.220) 2.262 6.279 ( -16.203 0.000 -3.359) 16.548 7.291 ( -1.554 0.000 1.052) 1.877 7.318 ( -5.238 0.000 8.316) 9.829 7.519 ( 4.572 0.000 -7.636) 8.900 7.643 ( 5.219 0.000 -11.696) 12.807 8.080 ( 1.312 0.000 11.299) 11.375 8.383 ( -2.295 0.000 2.026) 3.062 8.430 ( 1.689 0.000 0.553) 1.777 9.340 ( 5.989 0.000 -6.537) 8.866 9.476 ( 0.896 0.000 -3.206) 3.329 9.803 ( 1.278 0.000 -2.210) 2.553 9.836 ( -1.193 0.000 -1.443) 1.872 10.091 ( -0.703 0.000 -2.497) 2.594 10.113 ( -8.169 0.000 1.385) 8.286 10.415 ( 0.328 0.000 -1.328) 1.368 10.522 ( 0.479 0.000 4.523) 4.548 10.727 ( 2.068 0.000 0.428) 2.112 11.297 ( -6.022 0.000 -6.585) 8.924 12.066 ( -5.363 0.000 7.466) 9.193 12.482 ( 1.254 0.000 -6.031) 6.160 12.867 ( 0.150 0.000 6.803) 6.805 13.114 ( 9.323 0.000 -2.960) 9.781 ======================= Grid point 166 (75/205) ======================= q-point: (-0.56 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.979 ( -24.459 0.000 11.463) 27.011 3.036 ( -3.908 0.000 5.887) 7.066 3.200 ( 2.502 0.000 13.505) 13.735 3.259 ( 1.971 0.000 14.498) 14.631 3.987 ( 4.346 0.000 -7.952) 9.063 3.995 ( 9.561 0.000 5.345) 10.953 4.368 ( -1.607 0.000 0.947) 1.866 4.438 ( -3.106 0.000 -5.948) 6.710 4.581 ( -3.837 0.000 -8.215) 9.067 4.665 ( 0.585 0.000 -7.894) 7.916 5.020 ( -7.953 0.000 1.646) 8.122 5.099 ( 2.465 0.000 2.213) 3.313 6.054 ( 0.593 0.000 8.424) 8.445 6.187 ( 6.659 0.000 8.990) 11.188 6.284 ( 3.513 0.000 -2.744) 4.458 7.240 ( -4.195 0.000 -0.546) 4.230 7.270 ( -5.126 0.000 5.099) 7.230 7.542 ( 3.015 0.000 -5.734) 6.479 7.634 ( 3.363 0.000 -10.703) 11.219 8.142 ( -3.233 0.000 7.215) 7.906 8.341 ( -3.519 0.000 2.980) 4.611 8.461 ( 0.803 0.000 0.998) 1.281 9.407 ( 7.367 0.000 -9.020) 11.646 9.470 ( 1.638 0.000 -4.313) 4.614 9.808 ( -1.409 0.000 2.618) 2.973 9.809 ( 1.021 0.000 -1.865) 2.126 10.022 ( -2.701 0.000 0.833) 2.827 10.050 ( -1.122 0.000 -3.449) 3.627 10.390 ( -1.054 0.000 -2.789) 2.982 10.556 ( -0.828 0.000 4.933) 5.002 10.776 ( 1.929 0.000 1.617) 2.517 11.134 ( -5.417 0.000 -7.718) 9.429 12.032 ( -4.409 0.000 6.562) 7.906 12.464 ( 1.451 0.000 -4.919) 5.129 12.924 ( -0.064 0.000 7.041) 7.041 13.259 ( 8.097 0.000 -0.912) 8.148 ======================= Grid point 167 (76/205) ======================= q-point: (-0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( -28.559 0.000 11.401) 30.751 2.760 ( -24.092 0.000 8.062) 25.405 3.307 ( -0.794 0.000 9.631) 9.663 3.527 ( 7.824 0.000 12.592) 14.824 3.972 ( 1.107 0.000 -6.774) 6.864 4.034 ( -28.186 0.000 -3.115) 28.357 4.223 ( 2.896 0.000 6.553) 7.164 4.356 ( 0.293 0.000 -3.386) 3.399 4.468 ( -1.748 0.000 -5.462) 5.735 4.622 ( 1.587 0.000 -7.382) 7.551 4.898 ( -1.464 0.000 -1.895) 2.394 5.166 ( 2.140 0.000 3.222) 3.868 6.141 ( 0.638 0.000 10.444) 10.463 6.351 ( 5.240 0.000 -1.699) 5.509 6.557 ( 20.581 0.000 7.139) 21.784 7.137 ( -4.977 0.000 -2.469) 5.556 7.222 ( -3.744 0.000 4.391) 5.770 7.534 ( 0.697 0.000 -5.062) 5.109 7.607 ( 2.357 0.000 -9.391) 9.682 8.072 ( -7.936 0.000 3.662) 8.740 8.302 ( -4.181 0.000 4.066) 5.833 8.472 ( -0.644 0.000 1.458) 1.594 9.468 ( 7.880 0.000 -11.858) 14.238 9.470 ( 2.438 0.000 -5.724) 6.221 9.811 ( 0.328 0.000 -0.840) 0.902 9.845 ( 1.814 0.000 5.491) 5.783 10.004 ( -0.836 0.000 -3.032) 3.145 10.012 ( 0.575 0.000 1.592) 1.693 10.340 ( -1.632 0.000 -3.121) 3.521 10.568 ( -2.068 0.000 4.879) 5.300 10.813 ( 0.528 0.000 1.456) 1.549 10.975 ( -4.859 0.000 -8.349) 9.660 11.999 ( -4.294 0.000 5.772) 7.194 12.460 ( 1.756 0.000 -3.592) 3.998 12.968 ( -0.953 0.000 6.165) 6.238 13.404 ( 7.671 0.000 0.276) 7.676 ======================= Grid point 168 (77/205) ======================= q-point: (-0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( -30.041 0.000 13.720) 33.026 2.332 ( -30.222 0.000 13.635) 33.155 3.246 ( -30.012 0.000 14.477) 33.321 3.427 ( -17.204 0.000 2.114) 17.333 3.687 ( 0.388 0.000 7.782) 7.792 3.954 ( 1.952 0.000 -3.973) 4.426 4.313 ( 0.796 0.000 -8.010) 8.049 4.313 ( 0.740 0.000 3.197) 3.281 4.434 ( -0.704 0.000 0.465) 0.844 4.610 ( 3.504 0.000 -7.623) 8.390 4.938 ( 5.858 0.000 -1.089) 5.959 5.221 ( 1.173 0.000 2.698) 2.942 6.251 ( 1.779 0.000 12.823) 12.946 6.442 ( 4.700 0.000 0.789) 4.766 6.921 ( 14.561 0.000 -3.439) 14.961 7.040 ( -2.239 0.000 -3.834) 4.439 7.207 ( -2.717 0.000 7.282) 7.772 7.506 ( 1.257 0.000 -5.073) 5.227 7.577 ( 1.603 0.000 -7.706) 7.871 7.943 ( -8.288 0.000 3.908) 9.163 8.237 ( -5.811 0.000 3.401) 6.733 8.462 ( -1.727 0.000 1.781) 2.481 9.471 ( 2.885 0.000 -6.285) 6.916 9.504 ( 6.566 0.000 -14.077) 15.532 9.808 ( -0.382 0.000 0.548) 0.668 9.924 ( 2.694 0.000 1.047) 2.890 9.984 ( 0.781 0.000 -1.044) 1.304 10.088 ( 4.310 0.000 7.433) 8.592 10.287 ( -1.486 0.000 -2.644) 3.033 10.558 ( -2.658 0.000 4.456) 5.188 10.816 ( -0.988 0.000 0.596) 1.154 10.825 ( -4.475 0.000 -7.378) 8.629 11.962 ( -4.346 0.000 5.260) 6.823 12.472 ( 1.993 0.000 -2.536) 3.225 12.982 ( -2.072 0.000 4.527) 4.979 13.540 ( 6.685 0.000 -0.946) 6.752 ======================= Grid point 169 (78/205) ======================= q-point: (-0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -30.517 0.000 17.570) 35.214 1.881 ( -31.569 0.000 20.898) 37.859 2.625 ( -42.347 0.000 31.332) 52.678 3.342 ( -4.126 0.000 3.373) 5.329 3.663 ( -6.783 0.000 2.601) 7.264 3.984 ( 2.807 0.000 -0.305) 2.824 4.289 ( 3.165 0.000 -6.544) 7.269 4.315 ( -1.356 0.000 0.314) 1.392 4.430 ( -0.788 0.000 1.842) 2.004 4.636 ( 5.661 0.000 -7.579) 9.460 5.051 ( 5.594 0.000 -0.222) 5.598 5.251 ( 0.344 0.000 1.379) 1.421 6.428 ( 6.264 0.000 14.372) 15.678 6.527 ( 2.534 0.000 2.873) 3.830 7.005 ( 1.742 0.000 -3.877) 4.251 7.027 ( 3.343 0.000 -8.642) 9.266 7.206 ( -4.096 0.000 6.591) 7.760 7.498 ( 1.314 0.000 -6.270) 6.406 7.552 ( 1.509 0.000 -5.493) 5.697 7.841 ( -6.366 0.000 5.269) 8.264 8.153 ( -5.514 0.000 3.241) 6.396 8.440 ( -2.046 0.000 1.921) 2.806 9.487 ( 3.429 0.000 -4.245) 5.457 9.493 ( 4.626 0.000 -14.942) 15.642 9.810 ( -0.294 0.000 1.692) 1.718 9.956 ( 1.871 0.000 -3.108) 3.628 10.016 ( 2.503 0.000 0.461) 2.545 10.229 ( 1.152 0.000 -0.205) 1.171 10.282 ( 3.828 0.000 8.969) 9.752 10.546 ( -3.314 0.000 4.615) 5.682 10.728 ( 1.440 0.000 -2.810) 3.158 10.790 ( -1.774 0.000 -0.420) 1.823 11.923 ( -3.983 0.000 5.140) 6.503 12.492 ( 2.013 0.000 -2.004) 2.840 12.962 ( -3.047 0.000 2.618) 4.017 13.603 ( 1.741 0.000 -6.588) 6.814 ======================= Grid point 170 (79/205) ======================= q-point: (-0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -22.991 0.000 26.753) 35.275 1.536 ( -24.909 0.000 29.452) 38.572 2.316 ( -23.964 0.000 50.272) 55.691 3.290 ( -3.557 0.000 2.379) 4.279 3.511 ( -8.656 0.000 -1.829) 8.847 4.031 ( 1.428 0.000 0.277) 1.454 4.283 ( -2.060 0.000 -0.390) 2.096 4.339 ( 6.163 0.000 -2.279) 6.571 4.435 ( -0.531 0.000 2.523) 2.578 4.695 ( 6.442 0.000 -7.318) 9.749 5.114 ( 1.293 0.000 -0.017) 1.293 5.255 ( -0.570 0.000 0.056) 0.573 6.568 ( -0.929 0.000 3.066) 3.204 6.629 ( 0.852 0.000 0.137) 0.863 6.967 ( -1.014 0.000 -1.458) 1.776 7.039 ( 4.434 0.000 -2.570) 5.125 7.182 ( -3.641 0.000 10.979) 11.567 7.451 ( 1.033 0.000 -7.253) 7.326 7.557 ( 3.177 0.000 -4.084) 5.174 7.781 ( -5.418 0.000 6.496) 8.459 8.109 ( -1.718 0.000 4.325) 4.654 8.416 ( -2.108 0.000 1.951) 2.873 9.450 ( 3.276 0.000 -14.460) 14.827 9.520 ( 2.168 0.000 -2.650) 3.424 9.823 ( 0.214 0.000 1.113) 1.133 9.949 ( 0.742 0.000 -4.662) 4.721 10.063 ( 1.982 0.000 0.191) 1.991 10.222 ( 0.800 0.000 -1.602) 1.791 10.444 ( 2.648 0.000 10.869) 11.187 10.466 ( -7.009 0.000 3.479) 7.824 10.751 ( -1.424 0.000 -1.331) 1.949 10.987 ( 26.022 0.000 2.896) 26.183 11.905 ( -1.981 0.000 5.791) 6.120 12.513 ( 1.868 0.000 -2.091) 2.804 12.913 ( -3.570 0.000 1.081) 3.730 13.430 ( -13.766 0.000 -11.812) 18.140 ======================= Grid point 171 (80/205) ======================= q-point: ( 0.00 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 9.751 17.353 27.485) 33.936 1.752 ( -3.354 21.605 28.779) 36.143 2.684 ( -6.482 20.696 48.318) 52.962 3.293 ( -0.376 3.399 1.619) 3.783 3.400 ( -4.085 4.137 -4.563) 7.391 4.021 ( -0.811 -0.813 -0.467) 1.240 4.153 ( -2.117 -6.065 -0.810) 6.474 4.422 ( -0.407 -2.367 2.012) 3.133 4.513 ( 4.224 2.525 2.482) 5.512 4.730 ( 4.733 -0.823 -7.545) 8.944 5.100 ( -1.640 -2.092 0.825) 2.783 5.228 ( -1.440 0.206 -1.304) 1.954 6.270 ( -10.311 -6.071 5.288) 13.082 6.589 ( -5.161 0.048 -1.549) 5.389 6.938 ( -1.059 -6.902 -1.100) 7.069 7.050 ( 0.771 -3.315 3.955) 5.218 7.283 ( 4.896 1.457 -1.154) 5.237 7.484 ( 3.646 3.006 -4.116) 6.266 7.709 ( 3.508 7.682 -2.982) 8.956 7.720 ( -3.712 -2.325 6.993) 8.251 8.135 ( 2.927 -2.772 6.063) 7.281 8.393 ( -1.607 -0.206 1.641) 2.306 9.344 ( 0.943 -4.482 -9.425) 10.479 9.526 ( 1.656 0.721 -5.725) 6.003 9.831 ( -1.182 1.642 -0.421) 2.067 9.930 ( 0.508 1.124 -2.526) 2.811 10.110 ( 0.675 0.310 0.619) 0.967 10.326 ( 3.312 7.045 -2.410) 8.149 10.381 ( -4.219 0.314 3.724) 5.636 10.539 ( -2.001 0.360 7.449) 7.722 10.709 ( 0.641 -0.599 -1.133) 1.433 11.403 ( 18.414 -8.044 -3.984) 20.485 11.946 ( 1.951 -2.680 6.880) 7.637 12.610 ( 5.045 5.685 -6.138) 9.770 12.782 ( -5.700 -5.226 1.544) 7.886 13.044 ( -14.141 3.094 -2.994) 14.782 ======================= Grid point 172 (81/205) ======================= q-point: ( 0.11 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 9.648 21.487 24.571) 34.037 2.088 ( 18.606 13.593 25.964) 34.715 3.094 ( 10.956 12.425 40.704) 43.946 3.322 ( 1.082 4.562 4.762) 6.683 3.354 ( 3.599 3.757 -5.235) 7.381 3.977 ( -2.571 0.529 -1.952) 3.271 4.062 ( -6.290 -2.277 -1.499) 6.855 4.430 ( -0.719 -2.394 2.387) 3.456 4.610 ( 3.591 -3.669 0.141) 5.136 4.764 ( 4.508 1.465 -3.651) 5.983 5.050 ( -3.848 -4.370 -0.471) 5.841 5.189 ( -1.547 1.751 -1.968) 3.055 6.131 ( -8.559 0.866 6.268) 10.644 6.454 ( -7.690 0.237 -0.469) 7.708 6.879 ( -4.135 -2.989 -4.823) 7.021 7.085 ( -0.237 -9.389 3.083) 9.885 7.326 ( 1.543 0.319 -0.899) 1.814 7.519 ( 3.043 2.367 -4.312) 5.785 7.701 ( 2.055 4.371 -3.217) 5.803 7.804 ( 2.844 0.893 7.367) 7.948 8.243 ( 2.709 -3.545 5.748) 7.277 8.385 ( 0.230 -0.200 0.667) 0.733 9.292 ( 1.106 -3.471 -7.535) 8.369 9.515 ( 1.589 1.242 -4.930) 5.326 9.805 ( -1.105 1.309 -0.296) 1.738 9.916 ( 0.411 2.423 -2.892) 3.795 10.117 ( -0.408 -0.649 0.491) 0.910 10.351 ( -1.877 2.798 2.473) 4.179 10.387 ( 3.326 3.108 -0.540) 4.584 10.522 ( -4.201 1.902 5.476) 7.159 10.706 ( 0.098 0.233 -1.486) 1.507 11.530 ( 1.488 -4.716 -6.294) 8.004 12.051 ( 0.563 -8.556 7.410) 11.332 12.589 ( -1.226 2.428 -7.190) 7.687 12.772 ( 4.257 -0.929 0.556) 4.392 12.878 ( -2.785 4.985 0.465) 5.729 ======================= Grid point 173 (82/205) ======================= q-point: ( 0.22 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 14.744 16.564 20.131) 29.950 2.623 ( 14.538 8.772 26.231) 31.246 3.350 ( 2.400 2.499 2.557) 4.307 3.400 ( 1.690 3.463 -1.270) 4.057 3.720 ( 20.185 6.426 27.293) 34.549 3.891 ( -5.115 0.036 -2.516) 5.701 3.955 ( 0.308 3.755 -2.332) 4.431 4.428 ( -1.625 -1.765 2.483) 3.453 4.632 ( 2.008 -6.667 -6.265) 9.367 4.827 ( 1.856 3.549 -0.165) 4.008 4.967 ( -3.129 -5.841 -1.279) 6.749 5.139 ( -1.985 2.734 -1.148) 3.569 6.060 ( -4.776 3.578 7.187) 9.342 6.316 ( -6.020 -1.885 -1.102) 6.404 6.671 ( -12.821 2.570 -7.173) 14.914 7.099 ( -0.855 -13.299 3.785) 13.854 7.352 ( 0.911 0.221 1.375) 1.664 7.523 ( 1.538 2.139 -5.772) 6.345 7.738 ( 5.386 7.451 -5.826) 10.885 7.923 ( 2.529 -1.801 9.523) 10.016 8.302 ( -0.337 -5.588 4.036) 6.902 8.420 ( 2.533 0.609 0.388) 2.634 9.279 ( 3.216 -2.043 -5.661) 6.823 9.506 ( 1.432 1.615 -4.493) 4.985 9.790 ( -0.368 0.848 -0.035) 0.925 9.900 ( 0.094 2.778 -2.625) 3.823 10.105 ( -1.103 -1.310 -0.102) 1.716 10.282 ( -7.286 1.433 1.357) 7.549 10.445 ( 3.444 4.438 -1.960) 5.950 10.514 ( -1.034 3.409 5.567) 6.609 10.699 ( 0.895 -0.166 -1.719) 1.945 11.444 ( -4.473 -1.386 -5.618) 7.314 12.068 ( -4.167 -4.205 8.163) 10.084 12.529 ( 0.543 1.497 -6.681) 6.868 12.822 ( -0.074 -0.429 3.916) 3.940 12.944 ( 8.304 -0.472 -3.049) 8.859 ======================= Grid point 174 (83/205) ======================= q-point: ( 0.33 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( 15.600 10.381 15.311) 24.198 3.009 ( 6.537 5.593 21.671) 23.316 3.294 ( -14.703 1.743 8.606) 17.126 3.388 ( -3.832 3.970 2.795) 6.185 3.847 ( 4.479 2.071 -1.887) 5.283 3.937 ( 5.933 0.237 -6.187) 8.575 4.268 ( 11.139 0.382 7.119) 13.225 4.430 ( 2.741 2.118 2.636) 4.353 4.603 ( 0.719 -6.645 -7.559) 10.090 4.772 ( -3.149 1.914 -6.067) 7.098 4.969 ( 1.604 -3.588 3.180) 5.055 5.129 ( 1.024 4.313 2.453) 5.067 6.056 ( -2.557 3.982 8.403) 9.644 6.220 ( -3.351 -3.729 -2.353) 5.538 6.357 ( -13.403 6.436 -1.684) 14.963 7.115 ( -0.500 -12.969 3.403) 13.417 7.361 ( -1.746 0.094 1.801) 2.511 7.488 ( 0.618 1.381 -7.684) 7.831 7.796 ( 5.760 10.021 -7.074) 13.552 8.035 ( 0.949 -4.299 9.799) 10.742 8.308 ( -1.875 -6.031 2.939) 6.966 8.463 ( 1.711 1.456 0.379) 2.278 9.318 ( 5.259 -1.769 -5.853) 8.065 9.499 ( 1.694 1.769 -4.620) 5.229 9.788 ( -0.170 0.460 0.580) 0.760 9.872 ( -1.404 2.392 -1.818) 3.316 10.070 ( -2.612 -1.668 -0.070) 3.100 10.150 ( -5.431 3.268 -1.128) 6.438 10.472 ( 1.506 4.506 -3.129) 5.688 10.548 ( -0.348 3.314 5.252) 6.220 10.722 ( 2.388 -0.565 -0.243) 2.466 11.302 ( -5.529 0.428 -6.066) 8.219 12.050 ( -4.158 -1.173 7.452) 8.614 12.496 ( 1.230 1.192 -6.319) 6.547 12.864 ( 0.370 -0.363 5.949) 5.971 13.075 ( 7.838 -4.004 -2.315) 9.101 ======================= Grid point 175 (84/205) ======================= q-point: (-0.56 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.952 ( -20.689 0.333 8.088) 22.216 3.140 ( -5.963 7.913 8.607) 13.124 3.232 ( 0.923 3.454 12.051) 12.571 3.324 ( 2.111 5.876 11.614) 13.186 3.983 ( 3.498 -0.448 -7.010) 7.847 4.002 ( 9.286 0.386 3.177) 9.822 4.279 ( -4.532 -5.282 -2.363) 7.350 4.489 ( -0.697 0.678 -4.753) 4.851 4.555 ( 0.575 -2.191 -6.391) 6.781 4.684 ( -0.959 1.946 -7.607) 7.910 5.003 ( -3.132 -0.854 3.227) 4.577 5.163 ( -1.678 6.145 2.667) 6.906 6.083 ( -1.485 3.099 9.011) 9.644 6.205 ( 5.180 -1.289 3.191) 6.220 6.277 ( 2.960 2.656 3.822) 5.516 7.128 ( -0.696 -9.989 2.344) 10.284 7.308 ( -5.167 -0.346 1.451) 5.378 7.438 ( 1.230 0.334 -8.869) 8.960 7.828 ( 3.213 11.212 -6.623) 13.413 8.092 ( -2.501 -5.008 7.000) 8.963 8.279 ( -3.428 -5.329 2.811) 6.932 8.493 ( 0.754 1.778 0.991) 2.170 9.359 ( 4.564 -3.659 -8.150) 10.032 9.506 ( 3.558 2.417 -5.625) 7.081 9.791 ( -0.678 0.248 2.704) 2.798 9.834 ( -1.070 1.659 -0.083) 1.976 10.022 ( -2.076 -0.232 0.484) 2.145 10.075 ( -1.475 2.811 -3.024) 4.385 10.456 ( 0.020 5.251 -4.124) 6.677 10.577 ( -0.874 2.746 5.062) 5.825 10.770 ( 2.096 -0.737 0.525) 2.283 11.151 ( -5.088 1.694 -6.849) 8.699 12.030 ( -3.885 0.069 6.449) 7.529 12.477 ( 1.635 1.283 -5.156) 5.559 12.918 ( -0.051 -0.744 6.254) 6.298 13.204 ( 7.292 -5.648 -0.470) 9.236 ======================= Grid point 176 (85/205) ======================= q-point: (-0.44 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( -27.027 1.761 11.232) 29.321 2.851 ( -24.279 7.954 4.881) 26.011 3.324 ( -0.814 1.776 9.170) 9.376 3.562 ( 7.363 3.351 10.539) 13.286 3.959 ( 0.505 -1.413 -6.664) 6.831 4.020 ( -17.449 -1.850 -4.040) 18.005 4.211 ( 3.818 -0.973 3.517) 5.281 4.433 ( -3.532 5.024 -0.197) 6.145 4.479 ( -2.114 1.771 -5.224) 5.907 4.608 ( 0.461 -0.370 -7.285) 7.309 4.917 ( -2.729 2.233 -0.029) 3.526 5.185 ( 1.607 2.164 3.008) 4.038 6.143 ( -0.306 0.541 10.222) 10.241 6.297 ( 4.223 -5.012 0.472) 6.571 6.570 ( 17.641 1.661 6.422) 18.847 7.119 ( -1.355 -4.517 -0.155) 4.719 7.210 ( -6.289 -2.639 2.711) 7.339 7.405 ( 2.914 0.071 -8.555) 9.039 7.811 ( 0.276 10.881 -5.727) 12.300 8.044 ( -6.565 -2.983 3.631) 8.074 8.235 ( -4.063 -5.626 3.714) 7.871 8.500 ( -0.910 1.583 1.084) 2.124 9.364 ( 3.531 -6.261 -9.032) 11.543 9.535 ( 4.993 2.703 -8.227) 9.996 9.812 ( -0.064 1.009 2.580) 2.771 9.848 ( 1.497 0.358 4.184) 4.458 10.004 ( -0.386 -0.274 0.845) 0.969 10.039 ( 0.201 3.058 -2.826) 4.169 10.417 ( -0.527 6.203 -4.252) 7.539 10.593 ( -1.522 2.962 4.618) 5.694 10.792 ( 0.099 -1.885 -0.973) 2.124 11.012 ( -4.143 3.388 -6.132) 8.139 12.004 ( -3.951 0.684 5.601) 6.888 12.477 ( 2.115 1.658 -3.838) 4.685 12.953 ( -1.146 -1.632 5.384) 5.742 13.339 ( 6.978 -6.538 0.680) 9.586 ======================= Grid point 177 (86/205) ======================= q-point: (-0.33 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( -27.664 4.835 15.850) 32.247 2.369 ( -31.616 5.155 6.975) 32.784 3.332 ( -8.744 4.488 10.401) 14.310 3.527 ( -28.070 11.737 4.802) 30.802 3.715 ( 0.036 2.786 6.873) 7.416 3.928 ( 1.231 -2.917 -4.131) 5.205 4.230 ( -1.882 -3.180 -2.650) 4.547 4.394 ( 0.806 2.186 0.051) 2.331 4.451 ( -0.240 2.675 -0.877) 2.825 4.592 ( 3.549 -1.345 -7.190) 8.130 4.946 ( 4.880 1.007 -0.437) 5.002 5.237 ( 1.258 1.507 2.382) 3.087 6.232 ( 0.408 -1.669 12.135) 12.256 6.391 ( 4.944 -4.742 1.758) 7.073 6.863 ( 9.774 -3.639 -2.705) 10.774 7.090 ( 0.715 1.918 -2.420) 3.170 7.138 ( -5.011 -7.393 5.133) 10.301 7.425 ( 5.297 1.350 -5.859) 8.013 7.756 ( -1.595 9.568 -4.417) 10.658 7.935 ( -7.077 -0.892 2.836) 7.676 8.179 ( -4.912 -5.256 3.475) 7.990 8.479 ( -2.185 0.979 1.211) 2.683 9.359 ( 3.590 -7.499 -8.414) 11.829 9.552 ( 4.445 2.073 -10.105) 11.232 9.824 ( -0.430 2.140 2.226) 3.117 9.918 ( 1.461 -0.174 1.999) 2.482 10.037 ( 2.442 4.655 -1.588) 5.492 10.056 ( 3.341 -3.016 5.596) 7.181 10.375 ( -0.487 7.192 -3.541) 8.031 10.594 ( -1.751 3.809 3.925) 5.743 10.746 ( -2.608 -3.379 -4.534) 6.227 10.914 ( -2.470 5.309 -2.418) 6.335 11.971 ( -4.039 1.111 5.008) 6.529 12.495 ( 2.555 2.288 -2.850) 4.459 12.957 ( -2.309 -2.666 3.872) 5.238 13.462 ( 5.481 -7.634 -0.300) 9.403 ======================= Grid point 178 (87/205) ======================= q-point: (-0.22 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( -29.651 10.372 14.331) 34.528 1.867 ( -27.823 3.689 22.479) 35.959 2.945 ( -35.136 27.331 25.321) 51.212 3.353 ( -3.839 1.312 3.074) 5.090 3.693 ( -6.173 2.803 2.152) 7.113 3.949 ( 2.420 -4.035 0.464) 4.728 4.180 ( -0.190 -5.432 -3.766) 6.613 4.410 ( 0.278 0.044 0.655) 0.713 4.441 ( 0.213 4.918 -1.359) 5.106 4.623 ( 5.735 -0.956 -7.161) 9.225 5.045 ( 4.800 -0.354 0.133) 4.815 5.263 ( 0.153 1.020 0.956) 1.406 6.339 ( 0.176 -6.633 12.013) 13.723 6.509 ( 5.843 -3.173 2.811) 7.219 6.921 ( 3.129 -3.540 -5.458) 7.219 7.069 ( -5.511 -7.265 5.921) 10.872 7.134 ( 3.789 1.504 -3.965) 5.686 7.477 ( 3.388 1.908 -4.760) 6.146 7.696 ( -1.667 8.004 -2.283) 8.488 7.839 ( -5.570 0.024 2.816) 6.241 8.114 ( -4.606 -4.140 3.093) 6.923 8.445 ( -2.508 0.314 1.623) 3.004 9.373 ( 4.364 -6.987 -7.308) 11.012 9.546 ( 3.516 1.763 -9.778) 10.539 9.834 ( -0.276 2.677 2.177) 3.462 9.937 ( 0.706 -0.753 -0.863) 1.345 10.068 ( 2.059 2.805 -1.101) 3.650 10.209 ( 5.886 -2.252 5.660) 8.471 10.357 ( 0.829 7.530 0.447) 7.589 10.582 ( -4.405 3.080 2.995) 6.153 10.666 ( 0.353 -2.763 -3.429) 4.418 10.883 ( 0.577 6.231 0.216) 6.262 11.935 ( -3.758 1.405 4.773) 6.236 12.525 ( 2.894 3.173 -2.483) 4.961 12.928 ( -3.303 -3.523 2.146) 5.285 13.506 ( 0.145 -8.955 -4.427) 9.990 ======================= Grid point 179 (88/205) ======================= q-point: (-0.11 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -19.076 13.527 23.444) 33.113 1.695 ( -15.338 14.210 30.416) 36.909 2.626 ( -24.362 28.684 39.222) 54.356 3.310 ( -2.835 2.129 2.214) 4.180 3.549 ( -8.330 3.801 -1.579) 9.292 4.005 ( 1.699 -3.060 2.107) 4.086 4.166 ( 0.972 -7.205 -2.226) 7.603 4.416 ( -0.379 -1.799 1.422) 2.324 4.449 ( 1.898 6.171 -0.762) 6.501 4.684 ( 6.338 -0.871 -7.251) 9.669 5.102 ( 1.084 -1.102 0.290) 1.573 5.258 ( -0.937 0.160 -0.232) 0.979 6.377 ( -5.076 -10.781 7.135) 13.889 6.625 ( 3.472 -4.160 -0.737) 5.468 6.947 ( 2.322 -3.761 -2.469) 5.063 7.023 ( -3.801 -4.883 7.158) 9.462 7.185 ( 4.845 4.183 -1.542) 6.584 7.472 ( 1.313 3.461 -4.817) 6.075 7.673 ( 0.223 6.511 0.357) 6.525 7.770 ( -4.245 0.094 2.583) 4.970 8.077 ( -1.655 -3.407 4.453) 5.846 8.414 ( -2.205 -0.069 1.938) 2.936 9.384 ( 3.021 -5.589 -9.121) 11.116 9.538 ( 2.609 1.038 -7.180) 7.710 9.844 ( -0.230 2.297 0.867) 2.466 9.936 ( 0.537 -0.507 -1.879) 2.019 10.091 ( 1.167 1.253 -0.399) 1.758 10.293 ( 2.679 5.294 -2.351) 6.381 10.443 ( 0.717 2.378 5.734) 6.249 10.485 ( -4.544 -0.234 5.329) 7.007 10.699 ( 1.864 -2.637 -1.084) 3.406 11.025 ( 15.916 2.854 2.724) 16.397 11.912 ( -2.570 1.190 5.228) 5.946 12.563 ( 3.550 4.414 -3.050) 6.434 12.869 ( -4.271 -4.402 0.775) 6.183 13.358 ( -11.103 -6.386 -7.889) 15.043 ======================= Grid point 180 (89/205) ======================= q-point: ( 0.00 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 10.714 26.890 19.044) 34.649 2.176 ( 0.924 22.375 24.916) 33.501 3.209 ( -6.976 30.946 29.319) 43.197 3.379 ( 0.986 5.247 2.248) 5.793 3.506 ( -4.680 6.413 -2.401) 8.294 3.966 ( 0.375 -6.824 5.741) 8.926 4.047 ( 0.078 -1.983 -2.105) 2.893 4.358 ( -0.604 -3.896 1.607) 4.258 4.530 ( 0.238 -1.872 -0.753) 2.032 4.741 ( 4.781 2.872 -5.188) 7.617 5.041 ( -3.504 -3.966 -0.009) 5.292 5.231 ( -0.305 -0.171 -1.547) 1.586 6.209 ( -5.607 -0.733 6.532) 8.640 6.512 ( -1.679 -7.169 -0.332) 7.371 6.745 ( -2.640 -9.946 1.308) 10.373 7.051 ( 0.156 0.440 3.392) 3.424 7.305 ( 1.876 0.635 -1.548) 2.514 7.543 ( 1.461 2.369 -2.629) 3.829 7.665 ( -1.800 -2.646 5.907) 6.718 7.838 ( 1.945 5.559 -3.397) 6.799 8.063 ( 3.498 -4.703 4.659) 7.488 8.385 ( -1.612 -0.893 1.004) 2.099 9.257 ( 0.582 -3.568 -5.103) 6.254 9.535 ( 2.580 -0.083 -7.031) 7.490 9.880 ( -0.337 2.762 -1.571) 3.195 9.965 ( 0.107 2.886 0.705) 2.973 10.093 ( -0.938 -2.039 2.778) 3.572 10.386 ( -2.197 0.946 2.265) 3.294 10.449 ( 4.000 0.084 -2.530) 4.734 10.545 ( -1.055 4.659 1.168) 4.917 10.738 ( 0.777 3.606 1.257) 3.898 11.269 ( 10.038 -5.311 1.949) 11.522 11.959 ( -1.270 3.700 4.375) 5.869 12.669 ( -3.322 -4.500 -3.508) 6.602 12.705 ( 3.646 2.245 -1.822) 4.653 13.061 ( -7.100 -1.327 -3.608) 8.074 ======================= Grid point 181 (90/205) ======================= q-point: ( 0.11 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 15.847 21.751 19.237) 33.080 2.433 ( 8.442 21.110 19.544) 29.981 3.376 ( 2.423 11.589 6.298) 13.411 3.447 ( 3.879 5.810 -2.425) 7.394 3.505 ( 4.087 17.475 24.725) 30.552 3.969 ( -3.462 -3.344 2.129) 5.263 4.033 ( 0.125 2.186 -1.273) 2.533 4.366 ( -0.076 -3.974 1.956) 4.430 4.520 ( 0.283 -5.675 -3.157) 6.500 4.800 ( 3.668 2.411 0.233) 4.396 4.960 ( -4.131 -4.799 -1.381) 6.481 5.210 ( -0.640 0.500 -2.095) 2.247 6.154 ( -5.305 0.967 5.959) 8.037 6.431 ( -6.989 -2.143 0.786) 7.352 6.715 ( -0.700 -12.342 -0.675) 12.380 7.025 ( -5.104 1.643 1.262) 5.508 7.322 ( 1.293 -0.657 -0.778) 1.646 7.558 ( 1.530 1.083 -1.667) 2.508 7.705 ( 1.979 -2.021 4.324) 5.167 7.872 ( 3.730 4.646 -1.996) 6.284 8.151 ( 1.223 -6.118 4.270) 7.560 8.373 ( 0.661 -1.169 -0.267) 1.370 9.238 ( 1.433 -1.292 -3.589) 4.075 9.532 ( 2.601 0.372 -6.237) 6.768 9.861 ( -0.771 3.848 -0.502) 3.956 9.966 ( -0.128 3.160 -0.254) 3.173 10.085 ( -1.790 -2.586 2.121) 3.793 10.381 ( -1.088 2.588 1.934) 3.409 10.499 ( 1.313 -3.113 0.830) 3.480 10.528 ( 0.932 6.929 -1.712) 7.198 10.747 ( -0.562 4.319 0.392) 4.373 11.408 ( 3.602 -6.960 -0.866) 7.885 11.987 ( -0.302 1.521 5.996) 6.193 12.590 ( -1.335 -2.065 -4.824) 5.415 12.756 ( 2.949 -0.443 -1.419) 3.303 12.942 ( -2.619 1.176 -2.252) 3.649 ======================= Grid point 182 (91/205) ======================= q-point: ( 0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( 11.018 18.631 14.368) 25.980 2.850 ( 12.042 14.381 20.441) 27.742 3.425 ( 1.949 5.312 1.575) 5.874 3.491 ( 0.009 5.881 -0.140) 5.883 3.843 ( 7.678 4.760 10.563) 13.899 3.896 ( -2.869 0.157 -1.727) 3.352 4.097 ( 8.000 11.845 8.097) 16.428 4.385 ( 0.646 -2.547 1.990) 3.296 4.492 ( 0.910 -7.835 -6.419) 10.169 4.848 ( -1.576 -5.841 -0.663) 6.086 4.894 ( -0.095 3.123 0.952) 3.267 5.181 ( -0.474 2.075 -0.491) 2.185 6.113 ( -3.734 0.051 5.298) 6.482 6.293 ( -8.203 1.405 2.319) 8.640 6.680 ( -3.122 -6.254 -3.823) 7.967 6.905 ( -7.218 -2.333 2.520) 7.994 7.345 ( 1.173 -0.721 0.036) 1.378 7.563 ( 0.899 1.178 -3.318) 3.634 7.800 ( 4.283 -1.780 4.230) 6.278 7.932 ( 3.579 3.675 -1.022) 5.231 8.170 ( -1.992 -7.951 4.247) 9.232 8.412 ( 3.413 -1.411 -0.742) 3.767 9.257 ( 3.265 0.373 -3.108) 4.523 9.530 ( 2.208 0.650 -5.876) 6.311 9.846 ( -0.864 4.474 0.683) 4.607 9.955 ( -0.853 3.169 -0.504) 3.320 10.064 ( -1.742 -2.520 1.116) 3.260 10.334 ( -4.325 4.061 -1.269) 6.068 10.500 ( -1.250 -0.786 3.676) 3.961 10.590 ( 5.522 4.191 -2.099) 7.243 10.729 ( -0.790 4.661 -1.139) 4.862 11.399 ( -2.201 -3.316 -2.939) 4.947 12.027 ( -1.112 0.728 6.773) 6.902 12.544 ( 0.805 -0.247 -6.395) 6.450 12.795 ( 1.632 -2.196 1.473) 3.108 12.927 ( 2.032 -1.549 -1.754) 3.099 ======================= Grid point 183 (92/205) ======================= q-point: ( 0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.041 ( 10.220 12.225 9.881) 18.749 3.160 ( 5.521 10.178 16.623) 20.258 3.366 ( -13.487 5.558 7.960) 16.618 3.482 ( -0.652 5.822 1.658) 6.089 3.886 ( 4.493 1.528 -3.926) 6.159 3.946 ( 4.050 0.965 -1.979) 4.610 4.278 ( 0.105 0.716 1.621) 1.775 4.453 ( 2.166 -5.942 -6.514) 9.079 4.478 ( 5.708 -1.125 -0.278) 5.824 4.763 ( -2.247 -2.930 -5.785) 6.863 4.944 ( 1.318 1.375 5.444) 5.768 5.232 ( 4.600 6.918 4.501) 9.449 6.094 ( -1.946 -4.093 3.033) 5.453 6.197 ( -5.109 5.847 6.985) 10.444 6.507 ( -10.465 7.606 -1.771) 13.057 6.863 ( -0.526 -11.619 3.154) 12.051 7.348 ( -1.072 -0.701 -0.424) 1.350 7.542 ( 0.545 2.585 -4.998) 5.653 7.915 ( 3.382 -3.594 5.328) 7.262 7.978 ( 2.527 4.448 -2.164) 5.555 8.165 ( -2.085 -8.680 4.316) 9.916 8.467 ( 2.723 -1.151 -0.597) 3.016 9.297 ( 3.739 0.172 -4.724) 6.027 9.524 ( 2.230 0.685 -5.544) 6.015 9.837 ( -1.164 4.148 1.453) 4.546 9.923 ( -2.173 3.107 -0.360) 3.808 10.039 ( -1.535 -1.234 0.479) 2.027 10.231 ( -4.118 5.002 -2.942) 7.116 10.509 ( -0.560 -0.440 2.184) 2.297 10.674 ( 3.655 6.699 -0.277) 7.636 10.711 ( 0.777 1.383 -2.000) 2.553 11.306 ( -4.204 -0.194 -4.282) 6.004 12.048 ( -2.106 1.625 6.409) 6.940 12.516 ( 1.573 0.714 -6.320) 6.552 12.848 ( 1.515 -1.589 3.773) 4.366 12.971 ( 3.800 -6.454 -0.991) 7.555 ======================= Grid point 184 (93/205) ======================= q-point: (-0.56 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.023 ( -18.491 7.109 4.842) 20.394 3.289 ( -0.763 6.772 11.584) 13.440 3.347 ( -6.009 9.005 5.929) 12.343 3.450 ( 3.098 6.877 7.182) 10.415 3.965 ( 4.054 -1.550 -8.828) 9.837 3.995 ( 4.037 -1.158 1.784) 4.563 4.202 ( -4.597 -3.045 -4.822) 7.325 4.434 ( 1.686 -5.076 -4.018) 6.690 4.514 ( 1.088 -2.371 -4.664) 5.344 4.714 ( 1.443 0.393 -6.551) 6.720 5.004 ( -0.167 1.166 5.481) 5.606 5.315 ( -2.215 8.701 2.591) 9.344 6.114 ( 1.750 -4.459 3.820) 6.127 6.195 ( -4.634 7.494 10.291) 13.548 6.406 ( 2.554 8.650 4.345) 10.011 6.893 ( 0.797 -12.861 2.522) 13.130 7.298 ( -3.289 0.268 -1.355) 3.567 7.512 ( 0.898 4.572 -5.704) 7.365 7.960 ( -3.581 -5.714 5.709) 8.836 8.015 ( 3.735 5.318 -3.606) 7.432 8.153 ( -2.691 -7.498 3.508) 8.704 8.501 ( 1.231 -1.014 -0.215) 1.609 9.302 ( 1.674 -1.606 -7.208) 7.572 9.537 ( 3.553 0.415 -5.130) 6.254 9.823 ( -1.587 2.703 2.218) 3.839 9.888 ( -1.000 4.152 0.385) 4.288 10.017 ( -1.226 0.058 0.417) 1.297 10.153 ( -1.386 5.096 -3.508) 6.340 10.509 ( -0.692 0.173 0.836) 1.099 10.690 ( 0.095 7.520 -0.407) 7.531 10.749 ( 2.850 -0.703 -1.915) 3.505 11.190 ( -4.232 1.999 -4.738) 6.660 12.050 ( -2.664 2.550 5.630) 6.730 12.506 ( 2.239 1.567 -5.236) 5.907 12.892 ( -0.308 -2.071 4.015) 4.528 13.058 ( 5.567 -9.186 0.688) 10.763 ======================= Grid point 185 (94/205) ======================= q-point: (-0.44 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( -22.737 10.141 8.053) 26.166 3.031 ( -23.290 10.631 0.822) 25.615 3.374 ( -1.245 3.431 8.168) 8.946 3.638 ( 6.244 4.181 6.954) 10.239 3.910 ( -1.145 -3.923 -8.490) 9.423 3.966 ( -7.172 -3.468 -3.290) 8.619 4.181 ( 4.091 -2.365 -0.436) 4.745 4.448 ( 2.230 -3.763 -3.059) 5.337 4.498 ( -0.473 1.398 -1.396) 2.031 4.673 ( -1.105 4.731 -6.457) 8.080 4.993 ( -4.773 5.532 4.642) 8.656 5.257 ( -2.164 5.311 2.114) 6.112 6.180 ( -2.709 2.197 10.209) 10.789 6.197 ( 1.777 -2.609 4.325) 5.354 6.621 ( 12.118 2.887 3.645) 12.979 6.922 ( -0.518 -11.872 3.897) 12.505 7.219 ( -3.378 2.366 -1.814) 4.506 7.495 ( 2.489 6.064 -6.010) 8.893 7.906 ( -6.133 -4.699 4.606) 8.995 8.019 ( -0.417 3.456 -3.507) 4.941 8.120 ( -3.354 -5.505 2.730) 7.000 8.505 ( -0.713 -1.268 -0.245) 1.475 9.264 ( 0.990 -3.378 -7.430) 8.222 9.563 ( 3.719 -0.164 -6.203) 7.235 9.839 ( 0.841 1.382 4.202) 4.503 9.890 ( 0.310 4.407 1.371) 4.626 9.999 ( -0.949 0.135 0.264) 0.994 10.123 ( 0.997 5.392 -3.288) 6.394 10.497 ( -0.855 1.589 -0.024) 1.805 10.690 ( 0.207 5.330 -0.508) 5.358 10.757 ( 0.254 -0.172 -3.540) 3.553 11.084 ( -3.347 3.742 -3.601) 6.178 12.038 ( -3.007 3.265 4.804) 6.541 12.518 ( 3.021 2.582 -4.090) 5.703 12.899 ( -1.940 -4.242 3.381) 5.761 13.177 ( 5.833 -9.724 1.620) 11.455 ======================= Grid point 186 (95/205) ======================= q-point: (-0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( -21.995 14.226 12.707) 29.114 2.540 ( -28.694 12.361 1.371) 31.273 3.393 ( -2.626 2.878 6.275) 7.386 3.730 ( -7.092 5.048 2.904) 9.177 3.785 ( -4.344 3.251 2.626) 6.028 3.838 ( -2.335 -5.698 -3.300) 6.987 4.211 ( -2.379 0.719 0.551) 2.546 4.423 ( -4.539 2.539 -0.669) 5.243 4.473 ( 1.867 -1.598 -1.811) 3.052 4.621 ( 1.911 5.213 -5.024) 7.488 4.986 ( 1.722 3.491 1.661) 4.232 5.270 ( 0.430 1.726 1.970) 2.654 6.210 ( -2.733 0.027 11.075) 11.407 6.295 ( 4.798 -4.301 3.582) 7.372 6.794 ( 5.402 -5.919 -3.461) 8.729 6.940 ( -2.257 -6.931 7.244) 10.276 7.167 ( 0.178 3.715 -2.151) 4.297 7.517 ( 4.390 6.034 -5.377) 9.197 7.815 ( -7.410 -4.437 5.379) 10.175 7.962 ( -2.133 3.518 -3.699) 5.533 8.071 ( -3.883 -4.619 2.114) 6.394 8.476 ( -1.967 -1.496 -0.108) 2.473 9.239 ( 2.292 -4.213 -5.937) 7.632 9.572 ( 3.091 -0.318 -7.681) 8.285 9.885 ( 0.329 3.001 2.458) 3.893 9.927 ( 0.777 2.103 3.969) 4.558 9.999 ( 1.201 -2.182 0.986) 2.678 10.142 ( 3.574 5.953 -2.091) 7.252 10.481 ( -0.835 3.055 0.226) 3.175 10.677 ( -0.318 -0.771 -4.492) 4.569 10.716 ( -1.380 5.447 -1.589) 5.839 11.013 ( -2.094 4.638 -1.553) 5.320 12.015 ( -3.161 3.863 4.090) 6.453 12.552 ( 3.676 3.641 -3.347) 6.162 12.876 ( -2.994 -5.973 2.492) 7.131 13.282 ( 3.931 -10.379 0.713) 11.122 ======================= Grid point 187 (96/205) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( -24.951 18.320 9.169) 32.284 2.094 ( -17.152 18.629 18.367) 31.282 3.380 ( -3.846 4.217 5.951) 8.245 3.484 ( -19.262 21.880 10.934) 31.134 3.749 ( -4.331 1.339 -0.087) 4.534 3.825 ( 0.427 -7.530 3.524) 8.325 4.128 ( -4.287 1.579 -0.725) 4.626 4.376 ( -1.156 -2.090 0.463) 2.433 4.502 ( 2.302 -0.787 -1.661) 2.946 4.644 ( 4.830 4.272 -6.360) 9.057 5.046 ( 2.907 0.593 0.390) 2.992 5.277 ( -0.885 0.220 0.734) 1.170 6.242 ( -2.888 -2.779 9.978) 10.753 6.418 ( 5.327 -5.290 2.268) 7.843 6.808 ( -0.331 -9.862 -1.628) 10.001 6.949 ( -1.518 -2.151 5.695) 6.274 7.192 ( 3.758 3.469 -1.909) 5.459 7.551 ( 3.214 4.516 -5.234) 7.624 7.728 ( -6.729 -3.732 6.598) 10.136 7.896 ( -1.634 4.245 -3.484) 5.730 8.015 ( -3.698 -4.809 2.226) 6.462 8.438 ( -2.117 -1.349 0.533) 2.566 9.256 ( 3.544 -4.614 -4.741) 7.505 9.562 ( 2.684 -0.290 -8.283) 8.712 9.899 ( 0.257 3.001 0.028) 3.012 9.945 ( -0.829 2.452 2.606) 3.673 10.047 ( 1.308 -3.866 2.185) 4.630 10.234 ( 6.705 4.232 0.485) 7.944 10.470 ( -1.482 2.762 1.988) 3.712 10.606 ( -1.854 -0.002 -6.010) 6.289 10.702 ( 0.030 6.124 0.104) 6.124 10.991 ( 0.725 4.719 0.519) 4.802 11.987 ( -2.992 4.310 3.615) 6.371 12.599 ( 4.004 4.416 -3.121) 6.728 12.828 ( -3.680 -6.917 1.226) 7.931 13.314 ( -0.574 -10.394 -1.811) 10.566 ======================= Grid point 188 (97/205) ======================= q-point: (-0.11 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -9.076 26.381 16.572) 32.449 2.036 ( -7.877 21.218 25.301) 33.947 3.244 ( -18.173 32.215 23.168) 43.644 3.368 ( -1.297 3.671 1.754) 4.270 3.636 ( -6.900 4.230 -0.926) 8.146 3.889 ( 1.905 -8.806 6.320) 11.005 4.069 ( -1.033 -1.657 -1.993) 2.790 4.363 ( -0.922 -3.241 0.881) 3.483 4.524 ( 1.080 0.165 -0.903) 1.418 4.693 ( 5.728 3.042 -7.036) 9.569 5.077 ( -0.184 -1.594 0.219) 1.620 5.254 ( -1.318 -0.695 -0.563) 1.593 6.248 ( -4.254 -3.010 7.880) 9.447 6.505 ( 2.605 -7.585 -0.090) 8.021 6.781 ( -2.496 -9.760 1.958) 10.263 6.993 ( 1.701 -0.920 4.537) 4.932 7.260 ( 4.337 3.180 -1.667) 5.630 7.551 ( 1.179 3.503 -4.601) 5.902 7.675 ( -4.703 -3.011 7.143) 9.067 7.852 ( -0.161 5.290 -3.628) 6.417 7.992 ( -0.468 -4.730 3.997) 6.210 8.408 ( -1.880 -0.966 1.230) 2.446 9.275 ( 2.283 -4.837 -5.322) 7.545 9.547 ( 2.478 -0.353 -7.895) 8.282 9.896 ( 0.098 2.198 -1.632) 2.740 9.953 ( -0.245 2.847 2.126) 3.561 10.077 ( 0.328 -2.460 2.221) 3.331 10.365 ( 6.264 2.175 -0.824) 6.682 10.439 ( -4.166 -2.385 3.171) 5.753 10.551 ( -0.185 6.325 -1.907) 6.609 10.713 ( 0.916 3.740 0.285) 3.861 11.073 ( 7.134 1.932 2.595) 7.834 11.964 ( -2.391 4.439 3.572) 6.179 12.651 ( 4.204 4.441 -3.278) 6.938 12.758 ( -4.213 -6.902 -0.301) 8.091 13.225 ( -6.094 -7.144 -3.998) 10.206 ======================= Grid point 189 (98/205) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( 7.512 24.732 16.874) 30.868 2.612 ( 2.855 23.476 16.581) 28.883 3.444 ( 2.568 -0.345 2.442) 3.561 3.579 ( -2.689 -2.393 4.144) 5.490 3.672 ( -0.745 12.809 5.340) 13.898 3.837 ( 1.469 -3.020 5.493) 6.438 4.163 ( -3.181 17.227 8.600) 19.515 4.291 ( -0.694 -2.885 0.553) 3.018 4.448 ( -1.004 -5.801 -2.518) 6.403 4.830 ( 4.304 5.618 -3.818) 8.042 4.953 ( -5.603 -4.990 -0.592) 7.526 5.211 ( 0.828 -2.254 -2.358) 3.365 6.212 ( -4.947 0.202 5.926) 7.722 6.355 ( -1.307 -8.155 2.709) 8.692 6.621 ( -4.032 -2.613 3.491) 5.939 6.994 ( 1.278 -7.152 4.517) 8.555 7.337 ( -0.414 3.723 1.536) 4.048 7.563 ( 0.480 0.115 -1.728) 1.797 7.631 ( -1.585 -1.085 4.229) 4.645 7.880 ( 1.930 -5.182 1.234) 5.665 8.009 ( 3.455 3.294 -3.254) 5.777 8.347 ( -0.701 -3.276 -0.830) 3.451 9.239 ( 1.209 1.984 -1.570) 2.804 9.512 ( 2.375 -2.584 -4.949) 6.068 9.920 ( 0.695 1.641 -1.789) 2.525 10.017 ( 0.619 -0.112 0.661) 0.912 10.069 ( -1.862 2.138 3.837) 4.771 10.326 ( -0.022 -5.179 2.353) 5.689 10.491 ( 1.476 4.261 -2.520) 5.166 10.634 ( -0.082 2.440 -0.515) 2.495 10.841 ( 1.336 7.045 0.640) 7.199 11.188 ( 4.906 -3.830 2.714) 6.789 12.070 ( -1.042 7.546 1.875) 7.845 12.550 ( -2.419 -7.138 -0.370) 7.546 12.763 ( 2.625 3.134 -4.723) 6.246 13.005 ( -3.394 -4.164 -3.453) 6.386 ======================= Grid point 190 (99/205) ======================= q-point: ( 0.11 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( 10.422 18.710 15.834) 26.634 2.831 ( 8.143 20.588 14.033) 26.213 3.528 ( 2.622 3.628 3.576) 5.729 3.545 ( -0.088 3.975 -0.910) 4.079 3.771 ( 4.730 4.573 6.352) 9.145 3.895 ( -0.148 -1.908 4.513) 4.902 4.218 ( 1.205 17.319 9.777) 19.925 4.294 ( 0.700 -3.224 0.524) 3.340 4.399 ( -1.273 -6.705 -4.108) 7.966 4.823 ( -4.286 -2.936 -2.299) 5.681 4.908 ( 2.819 2.529 1.215) 3.977 5.209 ( 0.705 -0.710 -1.850) 2.104 6.146 ( -6.019 -1.669 4.009) 7.423 6.373 ( -0.013 -6.320 4.461) 7.736 6.542 ( -6.207 -1.773 2.234) 6.831 7.018 ( -2.199 -4.825 2.418) 5.828 7.338 ( -0.598 3.662 1.539) 4.017 7.555 ( -0.098 -0.705 -0.603) 0.933 7.662 ( 1.171 -2.271 4.500) 5.174 7.928 ( 2.466 -3.214 0.547) 4.088 8.047 ( 2.206 -0.200 -2.275) 3.175 8.336 ( 1.166 -2.895 -1.900) 3.654 9.261 ( 2.174 3.608 -0.797) 4.287 9.521 ( 2.522 -1.785 -4.807) 5.714 9.922 ( 0.723 2.319 -1.358) 2.783 10.031 ( -0.416 -1.827 1.265) 2.260 10.050 ( -2.025 4.557 2.462) 5.561 10.374 ( 2.062 -5.223 3.899) 6.836 10.479 ( -0.676 3.729 -2.898) 4.771 10.624 ( 0.266 2.299 -1.691) 2.866 10.867 ( 0.811 7.934 0.316) 7.981 11.287 ( 3.166 -5.903 1.779) 6.931 12.075 ( -0.287 6.913 2.568) 7.381 12.516 ( -0.122 -5.542 -2.116) 5.934 12.763 ( 0.841 1.146 -3.347) 3.636 12.926 ( -2.063 -2.520 -3.048) 4.460 ======================= Grid point 191 (100/205) ======================= q-point: ( 0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.053 ( 7.484 14.695 10.982) 19.813 3.136 ( 9.844 14.517 13.254) 21.984 3.534 ( -0.978 5.288 3.341) 6.331 3.605 ( 1.121 5.078 0.303) 5.209 3.877 ( 3.461 -0.302 -2.406) 4.226 3.919 ( 0.546 2.432 4.866) 5.467 4.309 ( 0.719 0.644 0.559) 1.115 4.341 ( 0.708 -1.264 0.573) 1.558 4.359 ( 3.795 0.451 0.013) 3.821 4.734 ( -2.510 -5.889 -3.063) 7.097 4.976 ( 1.119 5.843 4.003) 7.170 5.233 ( 3.321 3.056 1.501) 4.756 6.062 ( -5.374 -3.070 2.741) 6.769 6.395 ( -4.465 7.026 8.380) 11.812 6.469 ( -0.222 -10.932 -1.066) 10.986 6.945 ( -7.012 1.162 1.628) 7.291 7.344 ( 0.178 1.401 0.785) 1.616 7.548 ( -0.083 -2.221 -0.823) 2.370 7.737 ( 1.892 -3.710 6.145) 7.423 7.969 ( 0.342 -6.313 1.788) 6.570 8.060 ( 2.170 2.744 -2.293) 4.183 8.368 ( 3.732 -3.239 -2.270) 5.438 9.302 ( 2.975 4.106 -1.630) 5.326 9.526 ( 2.063 -1.227 -4.986) 5.533 9.923 ( 0.255 2.947 -0.927) 3.100 10.007 ( -2.475 -0.563 1.464) 2.931 10.053 ( -0.054 4.579 1.375) 4.781 10.413 ( -2.719 0.200 -2.623) 3.784 10.445 ( 0.468 -0.448 4.058) 4.110 10.629 ( 2.542 0.012 -3.394) 4.240 10.876 ( 0.430 9.432 -0.699) 9.468 11.321 ( -0.236 -4.885 -0.199) 4.895 12.097 ( -0.039 6.203 3.527) 7.136 12.509 ( 1.742 -3.768 -4.146) 5.867 12.757 ( 0.788 -1.178 -0.645) 1.557 12.881 ( -0.817 -3.133 -1.958) 3.783 ======================= Grid point 192 (101/205) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.249 ( 4.899 9.697 7.107) 12.983 3.377 ( 6.635 10.937 9.389) 15.868 3.481 ( -10.995 6.106 7.715) 14.755 3.600 ( 0.076 6.065 0.089) 6.066 3.907 ( 4.108 1.183 -5.716) 7.137 3.975 ( 1.567 1.903 1.387) 2.829 4.270 ( -1.415 -5.212 -6.964) 8.813 4.340 ( -0.502 0.114 -1.003) 1.127 4.430 ( 2.491 -5.680 -1.577) 6.399 4.685 ( 0.484 -5.046 -4.175) 6.567 5.012 ( -0.555 5.716 5.830) 8.184 5.359 ( 5.857 4.075 3.707) 8.040 6.014 ( -1.434 -1.628 3.103) 3.786 6.374 ( -3.713 11.333 10.217) 15.704 6.489 ( 1.458 -9.221 -1.421) 9.443 6.809 ( -8.691 5.065 4.110) 10.867 7.345 ( -0.424 0.497 -0.585) 0.877 7.544 ( 0.774 -2.719 -1.425) 3.166 7.809 ( -0.325 -5.443 7.284) 9.099 7.970 ( -1.607 -8.780 3.018) 9.422 8.104 ( 4.038 5.341 -2.699) 7.219 8.422 ( 3.469 -3.493 -2.083) 5.345 9.332 ( 2.177 3.334 -3.954) 5.611 9.520 ( 1.616 -1.176 -4.804) 5.203 9.910 ( -0.964 2.973 -0.977) 3.275 9.974 ( -1.474 0.963 0.124) 1.765 10.059 ( -0.788 4.715 2.041) 5.197 10.323 ( -3.057 3.753 -4.090) 6.336 10.478 ( -0.699 -1.872 4.077) 4.540 10.660 ( 3.472 -2.769 -3.904) 5.913 10.877 ( 0.720 10.164 -1.389) 10.284 11.283 ( -2.514 -2.492 -1.984) 4.058 12.123 ( -0.528 6.133 4.030) 7.357 12.512 ( 2.456 -1.651 -4.931) 5.751 12.795 ( 3.018 -3.806 1.499) 5.083 12.856 ( -1.058 -4.848 -0.500) 4.987 ======================= Grid point 193 (102/205) ======================= q-point: (-0.56 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.204 ( -13.773 11.114 1.758) 17.785 3.411 ( -2.071 6.020 10.389) 12.184 3.527 ( -5.786 8.646 2.683) 10.744 3.572 ( 2.870 5.534 4.390) 7.624 3.934 ( 2.741 -1.029 -9.485) 9.927 3.965 ( -1.997 -1.878 -0.613) 2.809 4.138 ( -3.705 -3.959 -8.038) 9.696 4.328 ( 2.247 -5.994 -4.937) 8.084 4.474 ( 3.171 -0.996 0.555) 3.370 4.687 ( 3.149 -3.206 -4.601) 6.431 5.059 ( 0.071 4.924 7.053) 8.602 5.420 ( -1.873 0.685 0.957) 2.212 6.061 ( 2.452 0.416 4.066) 4.766 6.410 ( -6.120 14.364 13.203) 20.448 6.490 ( 3.222 -4.705 -1.962) 6.031 6.742 ( -2.284 1.139 6.921) 7.376 7.317 ( -1.541 1.554 -1.407) 2.602 7.554 ( 1.582 -1.379 -2.269) 3.090 7.824 ( -4.391 -6.512 7.606) 10.934 7.967 ( -1.080 -8.797 2.197) 9.131 8.148 ( 2.546 5.418 -2.687) 6.562 8.456 ( 1.742 -3.588 -1.874) 4.407 9.310 ( -0.215 2.354 -6.039) 6.485 9.517 ( 1.720 -2.299 -3.808) 4.769 9.880 ( -0.826 3.124 -1.019) 3.388 9.958 ( 0.095 1.736 -0.958) 1.985 10.055 ( -1.621 4.934 2.734) 5.869 10.252 ( -0.926 4.471 -4.244) 6.234 10.490 ( -0.844 -1.363 3.154) 3.538 10.682 ( 2.198 -3.757 -4.496) 6.258 10.880 ( 0.880 9.379 -1.956) 9.621 11.210 ( -3.105 -0.337 -2.692) 4.123 12.137 ( -1.212 6.649 3.868) 7.787 12.527 ( 3.204 0.175 -4.305) 5.369 12.828 ( -2.030 -5.242 0.934) 5.699 12.887 ( 4.803 -7.179 2.074) 8.883 ======================= Grid point 194 (103/205) ======================= q-point: (-0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.930 ( -16.703 15.623 3.837) 23.190 3.245 ( -20.383 11.530 -1.891) 23.494 3.444 ( -2.358 3.337 7.272) 8.342 3.690 ( 2.506 -0.527 1.996) 3.247 3.825 ( -2.865 -3.541 -7.769) 9.005 3.893 ( -4.659 -4.243 -2.266) 6.696 4.130 ( 5.464 -2.176 -3.054) 6.627 4.343 ( 3.551 -6.262 -4.975) 8.751 4.543 ( 2.692 2.809 1.256) 4.088 4.713 ( 3.227 -0.434 -5.332) 6.247 5.103 ( -2.067 5.845 6.865) 9.250 5.345 ( -5.097 2.214 0.823) 5.617 6.141 ( 2.556 0.136 4.514) 5.189 6.341 ( -8.563 11.734 10.993) 18.217 6.573 ( 3.494 -9.112 0.190) 9.761 6.813 ( 2.243 1.289 7.534) 7.966 7.276 ( -1.503 3.462 -1.431) 4.037 7.566 ( 1.871 -0.458 -2.751) 3.358 7.776 ( -6.528 -5.852 7.323) 11.423 7.952 ( -1.817 -7.563 0.447) 7.791 8.148 ( -0.237 5.113 -2.830) 5.848 8.454 ( -0.327 -3.868 -1.922) 4.331 9.251 ( -0.661 1.929 -5.516) 5.881 9.522 ( 1.630 -3.965 -3.127) 5.306 9.878 ( 1.157 2.668 -0.213) 2.916 9.959 ( 1.063 1.315 -1.874) 2.524 10.044 ( -2.016 5.531 3.330) 6.763 10.225 ( 1.277 4.530 -3.537) 5.887 10.498 ( -0.765 -0.719 2.590) 2.795 10.670 ( 0.855 -3.754 -5.678) 6.860 10.875 ( 0.387 8.259 -2.411) 8.612 11.134 ( -2.756 1.053 -2.277) 3.727 12.138 ( -1.742 7.268 3.301) 8.170 12.566 ( 4.191 1.615 -3.651) 5.788 12.791 ( -3.075 -6.439 1.669) 7.329 12.997 ( 4.957 -8.673 1.901) 10.169 ======================= Grid point 195 (104/205) ======================= q-point: (-0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( -15.637 19.594 6.836) 25.984 2.818 ( -22.212 16.268 -0.586) 27.538 3.442 ( -2.889 1.387 4.614) 5.618 3.625 ( -4.437 -11.747 -3.540) 13.046 3.796 ( -3.981 -2.583 -0.849) 4.821 3.818 ( 1.063 1.715 1.480) 2.503 4.210 ( 3.345 -0.662 0.446) 3.439 4.381 ( 3.841 -4.733 -3.469) 7.013 4.555 ( -3.455 7.137 0.752) 7.965 4.717 ( 2.378 3.306 -5.256) 6.649 5.083 ( -3.423 6.370 4.198) 8.362 5.293 ( -1.939 0.354 1.638) 2.563 6.220 ( 0.790 0.346 5.659) 5.725 6.300 ( -3.704 6.444 9.342) 11.938 6.611 ( 0.528 -10.639 1.070) 10.706 6.886 ( -0.322 -2.059 5.291) 5.687 7.249 ( 0.217 4.982 -1.283) 5.149 7.576 ( 0.660 -2.641 -1.405) 3.063 7.714 ( -5.142 -2.446 5.714) 8.067 7.908 ( -2.692 -6.345 -0.439) 6.906 8.101 ( -1.997 4.999 -3.082) 6.203 8.421 ( -1.338 -4.113 -1.772) 4.674 9.215 ( 0.811 1.666 -3.600) 4.048 9.527 ( 1.586 -4.518 -3.619) 6.002 9.910 ( 1.451 1.026 0.839) 1.965 9.966 ( 1.561 -0.112 -2.508) 2.956 10.036 ( -1.722 6.384 3.739) 7.596 10.245 ( 3.035 4.046 -1.715) 5.341 10.501 ( -1.087 -0.171 2.226) 2.483 10.633 ( 0.584 -2.627 -6.347) 6.894 10.858 ( -0.180 7.551 -2.287) 7.892 11.075 ( -1.956 1.562 -1.303) 2.822 12.125 ( -2.066 7.723 2.624) 8.414 12.623 ( 4.906 2.396 -3.720) 6.606 12.740 ( -3.889 -6.714 2.006) 8.014 13.088 ( 3.398 -9.720 0.751) 10.324 ======================= Grid point 196 (105/205) ======================= q-point: (-0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( -16.660 20.937 9.835) 28.507 2.523 ( -10.514 24.789 7.938) 28.073 3.413 ( -2.401 -2.012 1.876) 3.651 3.562 ( -2.319 -12.340 3.462) 13.024 3.726 ( -3.303 1.198 1.032) 3.662 3.828 ( -1.595 2.778 1.505) 3.539 4.244 ( -1.640 4.141 3.458) 5.639 4.392 ( -4.195 3.796 0.145) 5.660 4.467 ( -1.545 2.613 -0.239) 3.045 4.740 ( 4.355 4.418 -5.646) 8.389 5.069 ( -0.658 1.934 0.730) 2.169 5.264 ( -2.398 -1.772 0.646) 3.051 6.240 ( -3.751 2.301 8.967) 9.988 6.347 ( 1.764 -1.389 2.795) 3.585 6.622 ( -0.994 -8.344 3.643) 9.158 6.899 ( -1.462 -4.898 4.465) 6.787 7.271 ( 2.719 4.864 -0.617) 5.606 7.565 ( -1.391 -4.345 1.327) 4.751 7.678 ( -2.590 0.487 2.713) 3.782 7.858 ( -2.193 -5.991 0.158) 6.381 8.038 ( -1.761 5.387 -3.313) 6.565 8.387 ( -1.062 -4.093 -1.099) 4.369 9.219 ( 1.823 1.047 -2.468) 3.242 9.522 ( 1.491 -4.130 -4.723) 6.449 9.927 ( 0.444 0.864 -0.841) 1.284 9.982 ( 1.398 -1.914 -0.689) 2.468 10.040 ( -0.939 5.945 3.685) 7.057 10.301 ( 2.912 1.414 0.609) 3.294 10.485 ( -1.509 0.713 0.189) 1.680 10.612 ( 1.710 -0.033 -3.732) 4.105 10.835 ( -0.437 7.124 -1.801) 7.361 11.050 ( 0.044 1.263 0.208) 1.281 12.104 ( -2.096 7.923 2.052) 8.448 12.669 ( -1.068 -8.272 -1.459) 8.467 12.694 ( 1.725 4.268 -1.069) 4.726 13.124 ( 0.471 -9.440 -1.121) 9.518 ======================= Grid point 197 (106/205) ======================= q-point: (-0.11 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( -4.795 25.773 15.556) 30.483 2.488 ( -3.076 25.519 14.071) 29.304 3.403 ( -0.179 -2.786 2.297) 3.615 3.569 ( -1.615 -8.786 6.131) 10.835 3.691 ( -3.040 7.342 4.022) 8.906 3.800 ( -1.559 2.199 2.044) 3.383 4.199 ( -6.720 15.827 7.298) 18.679 4.313 ( -2.476 -0.565 0.512) 2.590 4.469 ( 0.584 -4.189 -1.700) 4.559 4.782 ( 4.842 4.846 -5.747) 8.942 5.042 ( -3.048 -1.775 -0.176) 3.531 5.225 ( -0.992 -2.729 -1.389) 3.219 6.237 ( -3.761 1.118 7.771) 8.706 6.369 ( -1.044 -5.840 1.264) 6.066 6.635 ( -1.493 -4.942 4.837) 7.075 6.929 ( 0.899 -6.561 4.962) 8.275 7.319 ( 1.797 3.634 0.432) 4.077 7.560 ( 0.168 -1.751 0.231) 1.774 7.649 ( -2.837 0.107 2.924) 4.076 7.844 ( 0.293 -6.432 1.427) 6.594 7.997 ( 0.506 5.874 -3.582) 6.899 8.365 ( -0.718 -3.745 -0.453) 3.840 9.232 ( 1.418 0.769 -2.316) 2.822 9.513 ( 1.789 -3.443 -5.168) 6.462 9.924 ( 0.462 1.203 -1.780) 2.198 10.001 ( 0.713 -1.085 0.397) 1.358 10.057 ( -0.483 3.535 3.720) 5.155 10.330 ( -1.069 -4.043 1.753) 4.534 10.475 ( 1.521 4.383 -1.808) 4.979 10.627 ( 1.297 1.532 -0.811) 2.164 10.822 ( 0.361 7.027 -0.675) 7.068 11.089 ( 3.194 -0.517 1.983) 3.795 12.082 ( -1.733 7.857 1.747) 8.233 12.608 ( -3.724 -8.405 0.621) 9.214 12.738 ( 3.951 4.487 -4.516) 7.493 13.089 ( -2.434 -7.225 -2.823) 8.130 ======================= Grid point 198 (107/205) ======================= q-point: ( 0.00 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( 4.066 20.085 14.856) 25.311 3.032 ( 2.627 18.012 8.034) 19.897 3.299 ( 4.191 -12.267 10.754) 16.843 3.406 ( 2.039 -13.310 7.842) 15.583 3.817 ( 1.474 4.776 -0.730) 5.052 3.849 ( 1.531 1.416 0.078) 2.087 4.260 ( -0.983 0.283 -0.240) 1.051 4.320 ( -1.142 -5.364 -1.309) 5.639 4.565 ( -4.908 17.899 6.262) 19.588 4.810 ( -3.553 -8.459 1.349) 9.273 4.981 ( 1.529 7.875 -4.536) 9.216 5.130 ( 2.331 -6.514 -3.592) 7.795 6.208 ( -5.908 -0.078 4.846) 7.642 6.237 ( -4.064 -3.732 4.510) 7.127 6.651 ( -2.548 5.557 7.318) 9.535 6.812 ( -0.393 -10.394 7.569) 12.864 7.449 ( 0.560 7.260 1.727) 7.484 7.553 ( 0.853 -2.241 -0.559) 2.462 7.624 ( -1.679 1.248 2.553) 3.300 7.719 ( 1.102 -8.669 1.568) 8.878 8.129 ( 2.439 7.265 -4.792) 9.038 8.258 ( 1.023 -5.951 -3.203) 6.836 9.320 ( 1.708 5.812 -0.256) 6.063 9.433 ( 1.978 -5.483 -1.747) 6.085 9.950 ( 0.705 1.614 -0.940) 1.997 9.984 ( 0.586 -1.947 0.179) 2.041 10.146 ( -0.813 4.478 2.093) 5.009 10.232 ( -0.308 -4.654 1.706) 4.966 10.575 ( 0.723 4.113 -1.488) 4.433 10.635 ( 0.278 -1.884 -0.535) 1.978 10.982 ( 1.986 7.240 0.688) 7.539 11.104 ( 2.864 -5.343 1.779) 6.318 12.231 ( -0.903 9.008 0.449) 9.064 12.400 ( -1.332 -8.511 -0.158) 8.616 12.830 ( 0.782 4.022 -4.231) 5.890 12.916 ( -1.114 -4.849 -3.668) 6.182 ======================= Grid point 199 (108/205) ======================= q-point: ( 0.11 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.120 ( 6.091 13.982 11.431) 19.060 3.170 ( 5.431 12.383 7.829) 15.624 3.480 ( 5.974 -5.998 8.978) 12.339 3.518 ( 2.250 -6.645 9.031) 11.436 3.841 ( 3.155 5.089 -1.851) 6.267 3.897 ( 2.335 -0.047 1.517) 2.785 4.246 ( 0.066 -1.055 -1.102) 1.528 4.283 ( -0.876 -4.746 -3.065) 5.717 4.532 ( -3.644 12.846 4.773) 14.181 4.715 ( -5.699 -7.351 -0.584) 9.320 5.033 ( 4.907 8.585 0.131) 9.889 5.167 ( 3.530 -4.436 -1.133) 5.782 6.131 ( -5.539 1.393 3.547) 6.723 6.218 ( -1.458 -7.427 3.394) 8.295 6.637 ( -4.761 9.244 7.594) 12.876 6.846 ( -1.856 -11.541 6.571) 13.410 7.452 ( -1.464 6.927 1.048) 7.157 7.542 ( -0.708 -1.808 -1.911) 2.724 7.641 ( 0.357 1.725 4.944) 5.249 7.764 ( 1.410 -9.790 2.677) 10.247 8.143 ( 3.100 6.629 -4.908) 8.811 8.259 ( 2.196 -5.225 -3.711) 6.775 9.357 ( 2.372 5.798 -0.362) 6.275 9.460 ( 2.313 -4.561 -2.126) 5.538 9.957 ( 0.599 1.667 -0.503) 1.841 9.990 ( -0.317 -1.881 0.708) 2.035 10.154 ( 0.165 5.626 1.811) 5.913 10.263 ( 1.725 -5.854 2.136) 6.466 10.562 ( -0.679 4.180 -1.900) 4.642 10.623 ( -0.597 -1.956 -1.377) 2.465 11.026 ( 1.860 8.265 0.664) 8.497 11.170 ( 2.455 -6.732 1.602) 7.343 12.227 ( 0.054 8.603 0.586) 8.623 12.387 ( 0.244 -7.841 -0.651) 7.872 12.800 ( -0.473 2.757 -3.780) 4.703 12.863 ( -1.348 -3.643 -3.494) 5.225 ======================= Grid point 200 (109/205) ======================= q-point: ( 0.22 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.290 ( 4.697 9.476 7.232) 12.812 3.346 ( 6.116 5.380 7.157) 10.843 3.594 ( -0.004 1.415 6.841) 6.986 3.637 ( 2.918 -1.855 5.332) 6.354 3.908 ( 5.121 3.937 -2.998) 7.122 3.960 ( 2.893 0.556 2.262) 3.714 4.218 ( -1.039 -2.158 -4.343) 4.960 4.268 ( 1.353 -4.962 -0.969) 5.234 4.487 ( -3.812 6.687 0.739) 7.732 4.616 ( -3.379 -6.664 -2.183) 7.784 5.121 ( 1.927 8.457 3.418) 9.323 5.245 ( 4.154 -3.183 2.405) 5.760 6.072 ( -2.733 4.987 2.174) 6.088 6.232 ( 1.047 -10.810 0.806) 10.890 6.615 ( -3.990 12.803 9.161) 16.241 6.853 ( -2.474 -10.432 5.935) 12.254 7.416 ( -2.912 5.463 0.979) 6.267 7.503 ( -1.996 -2.983 -1.270) 3.807 7.699 ( 0.681 1.189 6.151) 6.302 7.801 ( -0.090 -8.524 3.431) 9.189 8.172 ( 4.011 6.588 -4.248) 8.806 8.287 ( 3.881 -5.261 -3.629) 7.478 9.395 ( 2.366 5.098 -1.756) 5.888 9.480 ( 1.946 -3.579 -3.146) 5.147 9.962 ( 0.255 1.396 -0.744) 1.602 9.984 ( -0.635 -1.135 0.126) 1.307 10.175 ( 0.101 7.023 2.158) 7.348 10.308 ( 0.626 -6.812 2.272) 7.208 10.526 ( -0.989 4.647 -2.316) 5.285 10.600 ( 0.149 -2.856 -2.870) 4.052 11.056 ( 0.998 9.040 -0.085) 9.096 11.209 ( 0.732 -6.946 0.497) 7.002 12.242 ( 0.781 8.447 1.019) 8.545 12.398 ( 1.683 -7.482 -1.156) 7.756 12.763 ( -0.580 1.799 -2.346) 3.013 12.816 ( -1.111 -3.424 -2.541) 4.406 ======================= Grid point 201 (110/205) ======================= q-point: ( 0.33 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.409 ( 2.183 6.662 5.569) 8.953 3.480 ( 1.876 -0.195 5.969) 6.260 3.616 ( -2.441 6.683 5.282) 8.861 3.677 ( -0.589 0.760 1.531) 1.808 3.950 ( 3.197 3.782 -6.146) 7.893 4.011 ( 1.145 0.182 -2.182) 2.471 4.168 ( -0.703 -1.113 -4.479) 4.668 4.274 ( -1.976 -8.808 -2.445) 9.352 4.428 ( 0.020 6.554 -0.073) 6.555 4.567 ( 0.308 -7.249 -2.216) 7.587 5.158 ( -0.836 9.191 5.250) 10.618 5.325 ( 1.153 -6.936 3.674) 7.933 6.078 ( 1.863 7.747 1.290) 8.072 6.266 ( 2.506 -11.197 -0.793) 11.501 6.644 ( -1.456 14.094 10.739) 17.779 6.843 ( -3.699 -4.534 5.592) 8.094 7.374 ( -2.320 3.039 1.430) 4.082 7.459 ( -2.219 -5.197 1.167) 5.770 7.748 ( -0.884 -0.012 6.183) 6.246 7.816 ( -0.986 -6.547 3.238) 7.371 8.221 ( 4.148 6.411 -3.507) 8.403 8.336 ( 3.863 -5.438 -3.227) 7.410 9.408 ( 1.178 4.199 -3.752) 5.754 9.479 ( 1.001 -3.055 -4.034) 5.158 9.952 ( -0.389 1.534 -1.414) 2.122 9.972 ( -0.237 -0.653 -0.976) 1.198 10.184 ( -1.185 7.182 2.550) 7.713 10.308 ( -1.792 -5.097 0.816) 5.464 10.503 ( 0.277 4.316 -1.649) 4.628 10.591 ( 1.795 -4.353 -3.999) 6.177 11.062 ( 0.149 8.873 -1.047) 8.936 11.204 ( -0.986 -5.893 -0.894) 6.041 12.269 ( 0.915 8.725 1.573) 8.912 12.429 ( 2.510 -7.148 -1.317) 7.690 12.750 ( 0.423 -0.030 -0.737) 0.851 12.784 ( -0.622 -3.023 -1.231) 3.323 ======================= Grid point 202 (111/205) ======================= q-point: (-0.56 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.404 ( -7.509 8.616 1.971) 11.598 3.487 ( -4.148 0.533 7.350) 8.456 3.640 ( 0.686 2.916 0.875) 3.121 3.650 ( -3.489 2.396 1.327) 4.435 3.926 ( -2.755 -0.565 -5.195) 5.907 3.931 ( -6.193 -1.274 -5.910) 8.655 4.099 ( 0.436 1.867 -7.236) 7.486 4.200 ( 1.686 -7.113 -6.927) 10.071 4.501 ( 4.808 3.800 2.110) 6.481 4.599 ( 4.008 -5.653 -1.109) 7.018 5.188 ( -0.808 8.170 6.458) 10.445 5.344 ( -1.840 -7.318 3.626) 8.372 6.138 ( 2.915 7.143 1.314) 7.826 6.311 ( 2.850 -10.461 -0.713) 10.865 6.690 ( -4.616 12.827 10.621) 17.281 6.811 ( -3.333 0.845 5.893) 6.822 7.353 ( -1.163 2.640 1.351) 3.185 7.451 ( -0.987 -7.468 3.881) 8.474 7.759 ( -2.456 0.170 5.031) 5.601 7.821 ( -0.714 -5.890 2.181) 6.321 8.258 ( 2.343 6.021 -3.143) 7.185 8.369 ( 2.089 -5.401 -2.979) 6.512 9.377 ( -0.704 4.205 -4.927) 6.515 9.457 ( 0.022 -3.902 -3.947) 5.550 9.933 ( 0.077 2.231 -1.987) 2.988 9.962 ( 0.417 -0.798 -1.820) 2.030 10.175 ( -1.757 6.563 2.761) 7.334 10.275 ( -1.498 -2.841 -0.329) 3.229 10.504 ( 0.770 3.534 -1.169) 3.801 10.595 ( 1.948 -5.124 -4.632) 7.177 11.047 ( -0.383 7.818 -1.894) 8.053 11.166 ( -1.798 -4.367 -1.812) 5.058 12.295 ( 0.370 9.482 1.829) 9.663 12.468 ( 2.541 -7.223 -0.998) 7.721 12.750 ( -0.310 -0.475 -0.183) 0.596 12.792 ( 2.167 -3.807 0.275) 4.390 ======================= Grid point 203 (112/205) ======================= q-point: (-0.44 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.232 ( -10.896 14.977 1.434) 18.576 3.444 ( -7.947 -1.509 3.536) 8.828 3.454 ( -12.661 5.591 -2.053) 13.992 3.597 ( -7.530 -6.572 -5.259) 11.294 3.799 ( -1.274 -0.545 -0.914) 1.660 3.816 ( -3.637 -2.927 -1.256) 4.835 4.134 ( 6.515 2.964 -4.750) 8.590 4.225 ( 5.243 -5.924 -5.233) 9.485 4.603 ( 4.629 3.523 0.559) 5.844 4.672 ( 4.726 -3.380 -2.161) 6.199 5.218 ( -1.772 6.079 6.009) 8.729 5.321 ( -3.438 -4.103 3.081) 6.177 6.202 ( 2.543 6.013 2.216) 6.895 6.357 ( 2.338 -9.681 -0.056) 9.960 6.624 ( -9.782 13.756 10.944) 20.117 6.812 ( -3.207 -4.322 6.385) 8.351 7.350 ( -0.533 4.531 1.400) 4.772 7.463 ( -1.511 -7.420 4.198) 8.658 7.746 ( -2.054 1.697 2.786) 3.855 7.819 ( -0.932 -5.827 0.766) 5.951 8.253 ( -0.163 5.846 -3.254) 6.693 8.364 ( -0.118 -5.494 -3.062) 6.291 9.322 ( -0.962 5.075 -3.912) 6.479 9.427 ( -0.083 -5.600 -2.753) 6.240 9.928 ( 1.059 2.288 -2.052) 3.250 9.959 ( 0.922 -0.902 -2.295) 2.633 10.167 ( -1.447 6.350 2.873) 7.118 10.256 ( -0.252 -2.012 -0.137) 2.033 10.510 ( 0.815 2.752 -1.211) 3.115 10.588 ( 1.438 -4.654 -5.157) 7.094 11.020 ( -0.716 6.595 -2.339) 7.034 11.115 ( -1.927 -3.133 -2.023) 4.198 12.308 ( -0.527 10.206 1.642) 10.351 12.501 ( 1.458 -8.836 -0.478) 8.968 12.749 ( 0.510 3.152 -0.087) 3.194 12.851 ( 3.373 -6.731 0.564) 7.550 ======================= Grid point 204 (113/205) ======================= q-point: (-0.33 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.037 ( -12.045 18.506 1.825) 22.156 3.135 ( -13.849 16.060 -0.643) 21.216 3.363 ( -8.764 -15.515 -1.736) 17.903 3.385 ( -6.718 -8.609 1.723) 11.055 3.769 ( -1.072 1.119 -0.083) 1.552 3.814 ( 0.799 -2.162 1.190) 2.594 4.222 ( 4.851 2.354 -1.455) 5.585 4.291 ( 4.749 -4.501 -2.793) 7.114 4.671 ( 2.510 4.730 -0.930) 5.435 4.732 ( 4.141 -1.505 -3.596) 5.687 5.198 ( -4.612 5.132 3.827) 7.890 5.272 ( -3.848 -2.577 2.241) 5.145 6.266 ( 1.896 4.738 2.948) 5.894 6.386 ( -0.043 -6.078 0.672) 6.115 6.544 ( -7.464 11.163 12.142) 18.103 6.778 ( -5.630 -10.028 7.117) 13.524 7.352 ( 0.089 5.556 0.714) 5.603 7.461 ( -1.795 -6.319 3.991) 7.686 7.727 ( -1.572 2.076 0.716) 2.701 7.793 ( -1.891 -5.080 -0.390) 5.435 8.209 ( -1.408 6.130 -3.507) 7.201 8.325 ( -1.075 -5.807 -3.092) 6.666 9.291 ( 0.104 5.754 -2.038) 6.105 9.414 ( 0.465 -6.723 -1.656) 6.940 9.936 ( 1.292 1.484 -1.808) 2.672 9.958 ( 1.055 -0.747 -2.621) 2.923 10.165 ( -1.341 6.506 2.930) 7.260 10.261 ( 0.127 -2.738 1.194) 2.990 10.516 ( 1.104 2.422 -1.546) 3.078 10.577 ( 1.820 -3.292 -4.625) 5.961 10.987 ( -0.859 5.699 -2.215) 6.175 11.066 ( -1.605 -2.466 -1.634) 3.365 12.301 ( -1.343 10.449 1.240) 10.608 12.507 ( -0.690 -10.613 -0.000) 10.636 12.771 ( 2.194 6.450 -0.871) 6.868 12.915 ( 3.075 -8.437 -0.184) 8.982 ======================= Grid point 205 (114/205) ======================= q-point: (-0.22 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.830 ( -11.074 20.631 7.006) 24.441 2.978 ( -5.732 21.772 3.745) 22.823 3.203 ( -6.482 -17.340 3.169) 18.781 3.331 ( -2.983 -14.176 3.758) 14.966 3.763 ( 0.222 3.843 0.313) 3.862 3.834 ( 0.573 -2.397 0.546) 2.525 4.276 ( 1.343 2.162 0.316) 2.564 4.342 ( 2.036 -4.242 -1.195) 4.854 4.673 ( -2.015 9.962 0.501) 10.176 4.777 ( 3.908 -1.232 -3.849) 5.621 5.125 ( -4.501 3.968 0.568) 6.027 5.207 ( -4.166 -4.069 0.309) 5.831 6.301 ( -1.956 3.450 4.665) 6.123 6.356 ( -3.845 -0.679 2.357) 4.561 6.553 ( -1.444 4.162 9.948) 10.880 6.738 ( -4.306 -11.317 7.981) 14.502 7.373 ( 1.598 5.611 0.703) 5.876 7.472 ( 0.103 -4.744 3.553) 5.928 7.695 ( -2.165 1.242 0.037) 2.496 7.749 ( -2.320 -4.691 -0.411) 5.249 8.159 ( -0.716 6.866 -3.687) 7.826 8.286 ( -0.447 -6.239 -2.805) 6.855 9.289 ( 0.791 5.721 -1.126) 5.884 9.413 ( 0.750 -6.761 -1.668) 7.004 9.944 ( 0.960 0.889 -1.728) 2.167 9.960 ( 1.265 -0.790 -2.325) 2.762 10.160 ( -1.667 6.234 2.874) 7.064 10.266 ( -1.350 -4.459 2.204) 5.154 10.531 ( 2.077 3.490 -1.940) 4.500 10.590 ( 2.450 -2.299 -2.370) 4.111 10.958 ( -0.460 5.519 -1.530) 5.745 11.037 ( -0.387 -2.569 -0.587) 2.663 12.280 ( -1.791 10.181 0.836) 10.371 12.479 ( -2.215 -10.496 0.220) 10.730 12.808 ( 2.852 6.896 -2.249) 7.794 12.954 ( 1.743 -8.379 -1.564) 8.700 ======================= Grid point 206 (115/205) ======================= q-point: (-0.11 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( -2.989 22.564 13.648) 26.539 2.957 ( -0.971 21.907 6.412) 22.847 3.184 ( -0.754 -17.208 8.939) 19.406 3.336 ( -0.222 -15.363 5.412) 16.290 3.783 ( 1.594 4.665 0.459) 4.951 3.842 ( 0.247 -0.363 -0.415) 0.604 4.280 ( -0.959 1.469 0.410) 1.801 4.346 ( -0.661 -4.565 -0.596) 4.651 4.620 ( -5.086 16.314 4.115) 17.577 4.814 ( 2.328 -3.509 -1.963) 4.646 5.042 ( -3.737 3.066 -2.318) 5.361 5.142 ( -1.053 -5.790 -2.924) 6.572 6.268 ( -5.391 1.671 6.209) 8.391 6.297 ( -4.786 -1.977 3.018) 5.994 6.614 ( -0.303 3.328 8.135) 8.794 6.756 ( -0.828 -10.123 8.131) 13.011 7.414 ( 1.609 6.187 1.450) 6.556 7.518 ( 1.938 -3.520 2.004) 4.491 7.653 ( -2.473 0.823 0.749) 2.712 7.712 ( -1.191 -5.845 0.313) 5.973 8.131 ( 1.006 7.510 -4.110) 8.620 8.266 ( 0.514 -6.428 -2.694) 6.988 9.298 ( 1.095 5.573 -0.795) 5.734 9.417 ( 1.233 -6.206 -1.844) 6.591 9.946 ( 0.804 1.174 -1.606) 2.146 9.970 ( 1.207 -1.383 -1.121) 2.150 10.150 ( -1.544 5.149 2.546) 5.948 10.245 ( -2.248 -4.806 1.976) 5.662 10.560 ( 2.088 4.122 -1.515) 4.863 10.620 ( 1.764 -2.002 -0.743) 2.770 10.953 ( 0.821 6.241 -0.330) 6.303 11.049 ( 1.581 -3.671 0.860) 4.089 12.252 ( -1.639 9.601 0.550) 9.755 12.436 ( -2.354 -9.504 0.143) 9.792 12.833 ( 2.151 5.659 -3.573) 7.030 12.953 ( 0.074 -6.839 -2.935) 7.443 ======================= Grid point 243 (116/205) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 6.822 0.000 27.932) 28.753 2.107 ( -6.318 0.000 28.662) 29.350 3.187 ( 1.064 0.000 -2.405) 2.630 3.214 ( -4.418 0.000 -9.685) 10.645 3.541 ( -3.055 0.000 40.973) 41.086 4.013 ( -3.027 0.000 0.861) 3.147 4.217 ( -4.070 0.000 0.543) 4.106 4.439 ( 4.650 0.000 -1.063) 4.770 4.556 ( 3.666 0.000 -9.428) 10.115 4.573 ( 5.343 0.000 3.298) 6.279 5.146 ( 0.004 0.000 1.094) 1.094 5.200 ( -3.379 0.000 -1.288) 3.616 6.433 ( -11.712 0.000 4.770) 12.646 6.588 ( -6.121 0.000 3.167) 6.892 6.914 ( -2.299 0.000 -4.188) 4.778 7.108 ( 7.029 0.000 -1.131) 7.119 7.278 ( 1.913 0.000 -5.665) 5.979 7.378 ( 5.529 0.000 -13.640) 14.718 7.547 ( -2.444 0.000 12.075) 12.319 7.929 ( -1.266 0.000 6.413) 6.537 8.276 ( 3.391 0.000 4.847) 5.915 8.421 ( -1.990 0.000 0.493) 2.050 9.188 ( 2.449 0.000 -6.176) 6.644 9.419 ( 1.259 0.000 -6.376) 6.499 9.820 ( -0.427 0.000 -0.225) 0.483 9.832 ( -0.271 0.000 -3.116) 3.128 10.123 ( -0.872 0.000 1.738) 1.945 10.224 ( 3.590 0.000 -1.199) 3.785 10.487 ( -2.244 0.000 4.218) 4.778 10.664 ( -3.266 0.000 0.892) 3.385 10.710 ( -2.888 0.000 5.308) 6.043 11.289 ( 16.570 0.000 -10.682) 19.715 12.101 ( 4.981 0.000 4.793) 6.913 12.441 ( 0.776 0.000 -5.212) 5.269 12.881 ( -1.903 0.000 1.623) 2.501 12.964 ( -11.983 0.000 -1.116) 12.035 ======================= Grid point 244 (117/205) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 5.104 0.000 25.864) 26.363 2.487 ( 19.901 0.000 23.424) 30.736 3.151 ( 6.306 0.000 -10.825) 12.528 3.219 ( 6.280 0.000 -5.327) 8.235 3.854 ( 3.572 0.000 34.018) 34.205 3.947 ( -4.740 0.000 1.042) 4.853 4.107 ( -9.105 0.000 3.164) 9.640 4.481 ( 0.754 0.000 0.282) 0.805 4.546 ( 3.700 0.000 -10.219) 10.868 4.689 ( 5.089 0.000 -1.429) 5.285 5.112 ( -4.572 0.000 -1.402) 4.782 5.135 ( -2.076 0.000 1.572) 2.604 6.281 ( -10.063 0.000 10.247) 14.362 6.472 ( -8.266 0.000 2.520) 8.642 6.778 ( -8.735 0.000 -4.241) 9.710 7.232 ( 6.551 0.000 -0.570) 6.576 7.292 ( 4.660 0.000 -7.195) 8.572 7.364 ( 4.518 0.000 -13.364) 14.107 7.569 ( -4.653 0.000 10.699) 11.667 8.001 ( 3.581 0.000 5.849) 6.858 8.375 ( 3.020 0.000 3.497) 4.621 8.393 ( -0.671 0.000 -0.455) 0.811 9.187 ( 1.655 0.000 -3.625) 3.985 9.391 ( 1.520 0.000 -7.224) 7.382 9.812 ( 0.502 0.000 -2.448) 2.499 9.813 ( -0.631 0.000 1.161) 1.322 10.106 ( -1.106 0.000 -0.757) 1.340 10.286 ( 3.280 0.000 -0.641) 3.342 10.509 ( 0.446 0.000 4.655) 4.676 10.580 ( -9.358 0.000 4.692) 10.468 10.675 ( -0.757 0.000 -1.262) 1.472 11.375 ( 3.169 0.000 -11.364) 11.797 12.222 ( 2.920 0.000 1.886) 3.476 12.408 ( 0.784 0.000 -6.486) 6.533 12.839 ( -1.268 0.000 3.201) 3.443 12.888 ( 0.120 0.000 4.210) 4.212 ======================= Grid point 245 (118/205) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( 12.040 0.000 20.796) 24.030 2.990 ( 14.444 0.000 14.742) 20.639 3.251 ( 11.333 0.000 -8.915) 14.420 3.368 ( 12.567 0.000 0.599) 12.582 3.862 ( -4.679 0.000 0.743) 4.737 3.906 ( -12.290 0.000 3.232) 12.708 4.192 ( 7.593 0.000 17.714) 19.273 4.475 ( -1.416 0.000 -0.136) 1.423 4.535 ( 3.195 0.000 -9.243) 9.780 4.708 ( -0.648 0.000 -5.657) 5.694 5.034 ( -1.793 0.000 -0.948) 2.028 5.115 ( -1.438 0.000 3.999) 4.250 6.226 ( -6.187 0.000 13.696) 15.029 6.341 ( -6.996 0.000 1.777) 7.219 6.535 ( -13.923 0.000 -1.748) 14.032 7.319 ( 0.997 0.000 1.566) 1.856 7.324 ( 4.804 0.000 -8.736) 9.969 7.355 ( 7.289 0.000 -14.352) 16.096 7.552 ( -5.881 0.000 11.421) 12.847 8.130 ( 5.222 0.000 4.301) 6.765 8.397 ( 1.613 0.000 -0.596) 1.719 8.428 ( 0.263 0.000 2.241) 2.256 9.196 ( 2.038 0.000 -3.027) 3.649 9.361 ( 1.859 0.000 -8.712) 8.908 9.810 ( 0.880 0.000 -1.640) 1.862 9.816 ( -0.581 0.000 2.531) 2.597 10.075 ( -0.969 0.000 -2.227) 2.429 10.298 ( -4.163 0.000 0.848) 4.249 10.423 ( -6.760 0.000 0.766) 6.804 10.562 ( 1.136 0.000 4.468) 4.611 10.684 ( 2.400 0.000 -0.493) 2.450 11.281 ( -3.051 0.000 -10.583) 11.014 12.229 ( -3.305 0.000 3.736) 4.988 12.377 ( 1.501 0.000 -6.419) 6.592 12.933 ( 7.365 0.000 1.527) 7.522 12.942 ( 0.945 0.000 6.521) 6.589 ======================= Grid point 246 (119/205) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.041 ( 11.164 0.000 14.227) 18.084 3.236 ( 6.691 0.000 3.951) 7.771 3.376 ( 6.050 0.000 -1.994) 6.370 3.498 ( -13.769 0.000 10.249) 17.165 3.805 ( -0.156 0.000 -2.694) 2.699 3.840 ( 10.262 0.000 2.407) 10.541 4.380 ( 3.513 0.000 1.064) 3.671 4.436 ( -2.089 0.000 -0.478) 2.143 4.516 ( 2.455 0.000 -8.842) 9.177 4.584 ( -6.682 0.000 -6.148) 9.080 5.046 ( 3.608 0.000 -1.076) 3.765 5.158 ( -0.372 0.000 6.684) 6.694 6.226 ( -7.137 0.000 10.930) 13.054 6.256 ( -2.926 0.000 0.832) 3.042 6.323 ( -6.324 0.000 9.054) 11.044 7.306 ( -1.549 0.000 -1.328) 2.040 7.310 ( 1.109 0.000 -8.949) 9.017 7.383 ( 5.294 0.000 -11.677) 12.821 7.554 ( -3.378 0.000 11.197) 11.696 8.229 ( 2.128 0.000 1.188) 2.438 8.435 ( -1.430 0.000 4.013) 4.261 8.437 ( 2.508 0.000 0.027) 2.509 9.206 ( 2.494 0.000 -5.863) 6.371 9.324 ( 2.356 0.000 -10.395) 10.659 9.818 ( 0.954 0.000 -0.333) 1.011 9.829 ( -0.548 0.000 3.471) 3.514 10.037 ( -1.148 0.000 -2.431) 2.688 10.165 ( -8.590 0.000 3.938) 9.449 10.364 ( -0.672 0.000 -3.546) 3.609 10.613 ( 0.608 0.000 4.119) 4.164 10.744 ( 3.302 0.000 0.948) 3.435 11.121 ( -4.835 0.000 -10.314) 11.391 12.190 ( -4.262 0.000 4.995) 6.566 12.365 ( 2.158 0.000 -5.431) 5.844 13.013 ( 0.439 0.000 7.575) 7.588 13.093 ( 8.540 0.000 0.410) 8.550 ======================= Grid point 247 (120/205) ======================= q-point: (-0.56 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.158 ( -7.984 0.000 6.282) 10.159 3.179 ( -23.241 0.000 7.988) 24.575 3.364 ( 3.444 0.000 3.131) 4.655 3.537 ( 9.224 0.000 8.055) 12.246 3.807 ( 3.531 0.000 -6.165) 7.105 4.093 ( 10.129 0.000 2.290) 10.385 4.357 ( -4.418 0.000 -1.283) 4.600 4.386 ( -6.961 0.000 -0.615) 6.988 4.426 ( -0.477 0.000 -5.052) 5.075 4.490 ( 1.880 0.000 -8.516) 8.721 5.083 ( -12.636 0.000 4.683) 13.476 5.133 ( 5.273 0.000 0.681) 5.317 6.242 ( 2.500 0.000 8.549) 8.907 6.251 ( 2.102 0.000 -0.091) 2.104 6.420 ( 4.512 0.000 13.991) 14.701 7.232 ( -5.842 0.000 -0.510) 5.864 7.251 ( 0.037 0.000 -6.641) 6.642 7.376 ( 5.140 0.000 -13.878) 14.799 7.579 ( -3.297 0.000 9.845) 10.382 8.216 ( -3.131 0.000 -0.724) 3.214 8.441 ( -2.853 0.000 6.151) 6.780 8.480 ( 1.538 0.000 0.809) 1.738 9.201 ( 4.030 0.000 -10.172) 10.941 9.293 ( 3.479 0.000 -11.140) 11.670 9.846 ( -0.748 0.000 3.613) 3.690 9.847 ( 1.856 0.000 0.925) 2.073 9.999 ( -1.166 0.000 -1.054) 1.571 10.090 ( -3.498 0.000 6.151) 7.076 10.319 ( -0.908 0.000 -4.175) 4.272 10.641 ( -0.700 0.000 2.778) 2.865 10.805 ( 2.120 0.000 1.047) 2.364 10.954 ( -4.519 0.000 -9.364) 10.398 12.150 ( -4.292 0.000 5.167) 6.718 12.372 ( 2.552 0.000 -4.206) 4.920 13.068 ( -0.920 0.000 7.053) 7.113 13.250 ( 8.231 0.000 -0.299) 8.237 ======================= Grid point 248 (121/205) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( -25.701 0.000 10.988) 27.952 2.953 ( -19.258 0.000 10.374) 21.874 3.431 ( 1.224 0.000 2.167) 2.489 3.725 ( 6.170 0.000 -0.537) 6.193 3.852 ( 3.498 0.000 2.166) 4.115 4.058 ( -18.636 0.000 4.676) 19.213 4.238 ( -4.225 0.000 -5.732) 7.121 4.326 ( 1.337 0.000 2.481) 2.819 4.431 ( 1.151 0.000 -0.134) 1.158 4.460 ( 1.955 0.000 -7.584) 7.832 4.902 ( -5.741 0.000 2.544) 6.279 5.229 ( 3.071 0.000 2.669) 4.069 6.329 ( 6.125 0.000 -0.199) 6.129 6.368 ( 2.652 0.000 9.639) 9.998 6.656 ( 10.409 0.000 3.810) 11.085 7.097 ( -6.858 0.000 -1.647) 7.053 7.240 ( 3.297 0.000 -2.359) 4.054 7.365 ( 5.328 0.000 -13.638) 14.642 7.573 ( -5.680 0.000 9.808) 11.334 8.128 ( -5.785 0.000 0.829) 5.844 8.408 ( -5.732 0.000 5.719) 8.097 8.501 ( -0.159 0.000 1.357) 1.366 9.203 ( 5.818 0.000 -13.158) 14.386 9.286 ( 4.802 0.000 -9.969) 11.065 9.853 ( -1.105 0.000 2.304) 2.555 9.886 ( 1.654 0.000 -0.338) 1.688 9.987 ( -0.322 0.000 2.110) 2.135 10.133 ( 1.637 0.000 8.384) 8.542 10.273 ( -0.662 0.000 -2.676) 2.757 10.624 ( -1.774 0.000 -1.241) 2.165 10.818 ( -3.702 0.000 -5.365) 6.518 10.832 ( 0.142 0.000 0.404) 0.428 12.109 ( -4.400 0.000 5.034) 6.686 12.392 ( 2.715 0.000 -3.232) 4.221 13.085 ( -2.465 0.000 5.313) 5.857 13.388 ( 7.226 0.000 -2.048) 7.511 ======================= Grid point 249 (122/205) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( -26.032 0.000 16.570) 30.858 2.641 ( -24.489 0.000 16.073) 29.293 3.430 ( -3.033 0.000 -0.134) 3.035 3.663 ( -30.277 0.000 21.620) 37.204 3.784 ( 0.039 0.000 0.459) 0.461 3.931 ( 2.748 0.000 2.631) 3.804 4.152 ( 0.264 0.000 -6.698) 6.703 4.330 ( -0.837 0.000 -1.970) 2.140 4.448 ( 0.488 0.000 0.462) 0.672 4.453 ( 3.358 0.000 -6.065) 6.933 4.930 ( 5.527 0.000 0.004) 5.527 5.278 ( 0.007 0.000 2.684) 2.684 6.460 ( 7.124 0.000 0.828) 7.172 6.497 ( 3.515 0.000 8.566) 9.260 6.803 ( 6.555 0.000 -5.324) 8.444 6.982 ( -3.438 0.000 -1.964) 3.959 7.330 ( 5.079 0.000 1.733) 5.366 7.361 ( 5.293 0.000 -12.739) 13.795 7.524 ( -7.847 0.000 10.143) 12.824 8.032 ( -5.775 0.000 3.214) 6.609 8.325 ( -7.220 0.000 4.871) 8.710 8.497 ( -1.442 0.000 1.570) 2.132 9.204 ( 5.689 0.000 -14.055) 15.162 9.320 ( 6.024 0.000 -7.072) 9.290 9.845 ( -0.866 0.000 0.805) 1.182 9.900 ( 0.801 0.000 -1.727) 1.904 10.020 ( 0.659 0.000 4.805) 4.850 10.195 ( 0.555 0.000 -2.606) 2.664 10.326 ( 4.369 0.000 10.583) 11.449 10.581 ( 0.810 0.000 -4.308) 4.383 10.724 ( -4.341 0.000 -0.807) 4.415 10.818 ( -1.576 0.000 -0.366) 1.618 12.066 ( -4.364 0.000 4.998) 6.635 12.419 ( 2.625 0.000 -2.756) 3.806 13.060 ( -3.694 0.000 3.096) 4.820 13.470 ( 4.208 0.000 -5.529) 6.948 ======================= Grid point 250 (123/205) ======================= q-point: (-0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( -25.669 0.000 22.571) 34.181 2.326 ( -24.370 0.000 22.027) 32.850 3.262 ( -17.559 0.000 17.420) 24.734 3.440 ( -12.000 0.000 16.828) 20.669 3.685 ( -10.441 0.000 -0.408) 10.449 4.019 ( 2.693 0.000 3.306) 4.264 4.156 ( 6.736 0.000 -6.219) 9.168 4.293 ( -0.398 0.000 -3.475) 3.497 4.461 ( 0.369 0.000 1.181) 1.238 4.491 ( 5.059 0.000 -5.047) 7.146 5.041 ( 5.725 0.000 -0.709) 5.769 5.280 ( -1.233 0.000 1.215) 1.731 6.584 ( 4.223 0.000 2.301) 4.809 6.611 ( 3.016 0.000 1.823) 3.524 6.868 ( 5.303 0.000 -3.926) 6.598 6.949 ( 1.363 0.000 -1.564) 2.075 7.363 ( 5.444 0.000 -12.270) 13.424 7.394 ( 0.269 0.000 -2.351) 2.366 7.455 ( -8.288 0.000 14.995) 17.133 7.971 ( -4.386 0.000 5.168) 6.779 8.233 ( -5.911 0.000 4.421) 7.381 8.477 ( -1.892 0.000 1.548) 2.445 9.197 ( 4.830 0.000 -12.551) 13.448 9.389 ( 5.840 0.000 -5.027) 7.706 9.837 ( -0.226 0.000 -0.242) 0.331 9.892 ( 0.173 0.000 -2.672) 2.678 10.072 ( 0.341 0.000 5.060) 5.071 10.177 ( 0.761 0.000 -3.311) 3.398 10.512 ( 4.951 0.000 11.677) 12.683 10.620 ( -3.353 0.000 2.665) 4.283 10.660 ( 8.571 0.000 -4.136) 9.516 10.774 ( -2.464 0.000 -0.937) 2.637 12.030 ( -3.675 0.000 5.285) 6.437 12.444 ( 2.238 0.000 -2.842) 3.618 13.001 ( -4.277 0.000 1.172) 4.435 13.433 ( -2.541 0.000 -9.235) 9.578 ======================= Grid point 251 (124/205) ======================= q-point: (-0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -15.403 0.000 27.665) 31.664 2.116 ( -17.875 0.000 27.062) 32.433 3.183 ( -6.415 0.000 16.030) 17.266 3.391 ( -9.339 0.000 24.903) 26.597 3.438 ( -11.854 0.000 -5.708) 13.157 4.044 ( -1.115 0.000 1.319) 1.727 4.263 ( -0.733 0.000 -2.115) 2.239 4.303 ( 10.191 0.000 -1.616) 10.318 4.489 ( 1.256 0.000 2.744) 3.018 4.542 ( 4.841 0.000 -6.744) 8.302 5.117 ( 2.661 0.000 0.099) 2.663 5.254 ( -1.924 0.000 -0.292) 1.946 6.593 ( -5.300 0.000 -1.237) 5.442 6.635 ( -1.333 0.000 3.320) 3.577 6.931 ( 3.338 0.000 -3.276) 4.677 7.001 ( 5.224 0.000 -1.442) 5.419 7.320 ( -2.881 0.000 -2.915) 4.099 7.372 ( 5.985 0.000 -12.781) 14.113 7.484 ( -2.860 0.000 14.899) 15.171 7.937 ( -4.150 0.000 6.076) 7.359 8.204 ( -0.564 0.000 4.796) 4.829 8.452 ( -2.041 0.000 1.287) 2.413 9.191 ( 3.789 0.000 -9.465) 10.195 9.432 ( 2.877 0.000 -5.572) 6.271 9.830 ( -0.131 0.000 -0.883) 0.893 9.865 ( -0.421 0.000 -3.256) 3.283 10.109 ( -0.175 0.000 4.086) 4.089 10.182 ( 2.243 0.000 -2.270) 3.191 10.533 ( -5.527 0.000 2.981) 6.279 10.662 ( 1.476 0.000 10.044) 10.152 10.718 ( -2.471 0.000 -1.209) 2.750 10.955 ( 22.442 0.000 -4.657) 22.920 12.024 ( -1.156 0.000 5.893) 6.005 12.455 ( 1.538 0.000 -3.634) 3.946 12.929 ( -3.765 0.000 0.403) 3.786 13.232 ( -10.870 0.000 -8.097) 13.554 ======================= Grid point 252 (125/205) ======================= q-point: ( 0.00 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 7.762 10.257 26.327) 29.301 2.297 ( -4.448 16.068 24.626) 29.739 3.234 ( 1.345 4.632 -2.807) 5.580 3.257 ( -4.746 4.511 -8.936) 11.078 3.633 ( -3.149 9.002 36.734) 37.952 4.024 ( -2.850 1.488 2.296) 3.951 4.166 ( -2.635 -4.614 1.634) 5.559 4.429 ( 1.745 -1.635 -1.112) 2.637 4.532 ( 1.543 -2.235 -6.479) 7.026 4.606 ( 8.154 3.122 0.740) 8.763 5.115 ( -1.897 -3.019 0.633) 3.621 5.200 ( -1.942 -0.134 -1.583) 2.509 6.382 ( -8.737 -3.437 6.337) 11.327 6.599 ( -5.214 -0.571 2.294) 5.725 6.863 ( -0.330 -5.947 -5.345) 8.003 7.120 ( 1.162 1.806 2.265) 3.121 7.219 ( 2.485 -2.837 -5.882) 6.988 7.413 ( 3.498 3.946 -5.306) 7.481 7.653 ( -0.137 7.251 2.872) 7.800 7.893 ( -1.271 -3.500 6.343) 7.355 8.243 ( 3.393 -3.446 4.493) 6.601 8.412 ( -1.945 -0.949 -0.137) 2.169 9.185 ( 1.668 -0.298 -4.742) 5.036 9.403 ( 2.077 -1.152 -6.419) 6.844 9.814 ( -0.282 0.874 -1.081) 1.418 9.886 ( -0.046 3.809 -1.881) 4.248 10.141 ( -1.326 1.669 2.294) 3.131 10.279 ( 3.817 4.996 -2.233) 6.672 10.458 ( -2.867 -1.924 3.636) 5.014 10.624 ( -0.965 -4.003 -0.524) 4.151 10.747 ( -3.027 3.299 6.456) 7.856 11.267 ( 14.300 -1.877 -8.443) 16.712 12.074 ( 2.201 -1.791 6.008) 6.644 12.475 ( 1.420 2.612 -6.996) 7.601 12.830 ( -3.021 -3.861 2.817) 5.654 12.990 ( -8.243 1.221 -2.509) 8.702 ======================= Grid point 253 (126/205) ======================= q-point: ( 0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( 5.769 14.062 22.209) 26.912 2.574 ( 18.039 8.795 21.572) 29.464 3.179 ( 4.814 3.434 -10.348) 11.918 3.277 ( 6.725 5.490 -4.584) 9.817 3.885 ( 1.156 2.101 20.332) 20.473 3.996 ( -2.912 6.179 11.781) 13.618 4.084 ( -7.536 -2.218 3.476) 8.591 4.452 ( 1.595 -3.176 -0.974) 3.685 4.500 ( 1.020 -3.497 -7.302) 8.160 4.744 ( 6.059 4.449 -1.340) 7.635 5.039 ( -5.421 -5.411 -0.240) 7.664 5.166 ( -1.364 1.159 -0.240) 1.806 6.283 ( -7.695 0.004 8.888) 11.757 6.479 ( -9.216 0.833 3.432) 9.870 6.775 ( -5.510 -1.676 -4.619) 7.383 7.132 ( -0.641 -7.577 0.186) 7.606 7.257 ( 6.420 0.243 -5.799) 8.655 7.427 ( 2.503 4.125 -6.060) 7.746 7.667 ( -0.956 6.883 3.562) 7.809 7.963 ( 3.372 -3.645 5.482) 7.397 8.334 ( 1.896 -4.003 3.145) 5.432 8.385 ( 0.560 -1.105 -0.767) 1.457 9.182 ( 1.198 -0.330 -2.732) 3.001 9.391 ( 2.181 0.112 -7.000) 7.333 9.805 ( -0.123 1.271 -0.140) 1.285 9.875 ( 0.059 4.129 -1.042) 4.259 10.119 ( -1.727 1.000 -0.090) 1.998 10.340 ( 3.902 5.156 -1.587) 6.658 10.436 ( -3.680 -3.916 3.393) 6.355 10.608 ( -0.784 -1.362 1.648) 2.277 10.702 ( -4.531 3.950 2.385) 6.467 11.356 ( 3.630 -1.747 -10.197) 10.964 12.168 ( 1.840 -4.035 4.860) 6.579 12.432 ( 0.554 1.544 -7.755) 7.926 12.822 ( 0.026 -1.594 3.395) 3.750 12.906 ( -0.650 1.293 2.092) 2.543 ======================= Grid point 254 (127/205) ======================= q-point: ( 0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( 10.726 9.979 17.330) 22.693 3.042 ( 13.234 5.287 13.401) 19.563 3.264 ( 11.250 1.935 -7.834) 13.845 3.424 ( 10.710 5.144 0.811) 11.909 3.877 ( -4.145 1.592 1.246) 4.611 3.905 ( -11.191 -0.132 3.141) 11.624 4.222 ( 6.160 2.887 13.102) 14.763 4.457 ( -0.909 -2.569 -2.796) 3.904 4.472 ( 2.069 -4.155 -3.750) 5.967 4.766 ( -1.815 4.156 -5.893) 7.436 4.969 ( -0.515 -4.782 0.863) 4.887 5.154 ( -0.161 2.701 2.958) 4.009 6.239 ( -4.810 -0.257 8.310) 9.605 6.343 ( -8.463 2.001 6.562) 10.894 6.586 ( -11.525 4.150 -1.318) 12.320 7.127 ( 1.228 -11.948 -2.341) 12.237 7.332 ( 4.178 -0.168 -2.606) 4.927 7.407 ( 0.832 3.308 -6.749) 7.562 7.680 ( -0.114 8.805 2.815) 9.245 8.081 ( 4.554 -4.712 4.177) 7.771 8.353 ( -0.007 -4.204 0.986) 4.318 8.428 ( 2.456 -0.716 0.532) 2.612 9.189 ( 1.790 -0.394 -2.817) 3.360 9.372 ( 2.124 1.019 -8.193) 8.525 9.808 ( 0.188 1.315 0.593) 1.455 9.871 ( -0.271 3.965 0.253) 3.983 10.083 ( -1.345 0.503 -1.572) 2.129 10.317 ( -8.749 0.008 2.236) 9.030 10.402 ( 1.752 1.642 -2.232) 3.278 10.625 ( -1.003 4.151 5.167) 6.703 10.669 ( 1.687 -0.940 -1.159) 2.252 11.280 ( -2.392 0.006 -9.919) 10.203 12.198 ( -2.335 -2.473 5.136) 6.160 12.390 ( 1.256 0.939 -6.818) 6.996 12.892 ( 4.126 -2.789 2.842) 5.734 12.958 ( 2.913 0.049 3.927) 4.890 ======================= Grid point 255 (128/205) ======================= q-point: ( 0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.092 ( 9.071 4.924 11.515) 15.464 3.260 ( 6.315 2.470 2.169) 7.120 3.401 ( 5.723 2.762 -0.565) 6.380 3.523 ( -12.206 2.783 10.407) 16.280 3.810 ( 0.274 0.249 -1.668) 1.708 3.865 ( 7.989 2.540 0.645) 8.408 4.331 ( -0.058 -4.515 -1.753) 4.844 4.421 ( 0.293 -2.477 -3.547) 4.337 4.473 ( 0.328 -1.525 -2.729) 3.143 4.632 ( -4.873 2.196 -7.016) 8.820 5.016 ( 3.675 -1.473 0.628) 4.009 5.219 ( 1.810 5.185 5.703) 7.917 6.198 ( -2.717 -2.385 2.091) 4.176 6.314 ( -5.281 5.653 14.995) 16.873 6.385 ( -8.118 5.775 4.043) 10.751 7.139 ( 1.951 -12.571 -2.666) 12.998 7.325 ( -2.007 0.313 -4.075) 4.553 7.378 ( 0.764 2.003 -4.709) 5.174 7.709 ( 1.301 10.290 1.231) 10.445 8.173 ( 2.087 -5.415 2.035) 6.150 8.358 ( -1.021 -4.904 2.420) 5.563 8.476 ( 2.279 0.559 0.790) 2.476 9.194 ( 1.978 -0.809 -5.595) 5.989 9.344 ( 2.594 1.834 -9.666) 10.174 9.820 ( 0.522 0.963 0.955) 1.454 9.867 ( -0.951 3.140 1.970) 3.827 10.047 ( -1.021 0.681 -1.696) 2.094 10.166 ( -8.162 0.193 3.023) 8.706 10.400 ( 0.531 3.847 -3.993) 5.570 10.644 ( -0.415 2.847 3.501) 4.532 10.726 ( 3.246 -1.778 0.791) 3.784 11.138 ( -4.156 1.729 -9.480) 10.495 12.180 ( -3.755 -0.729 5.510) 6.708 12.374 ( 2.195 0.784 -5.668) 6.129 12.987 ( 1.794 -2.641 5.920) 6.726 13.066 ( 6.302 -2.838 1.295) 7.032 ======================= Grid point 256 (129/205) ======================= q-point: (-0.56 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.111 ( -15.187 -1.011 7.655) 17.038 3.279 ( -15.386 6.563 4.983) 17.454 3.387 ( 2.940 2.548 2.971) 4.895 3.554 ( 8.511 1.689 6.648) 10.931 3.805 ( 2.548 -0.395 -5.575) 6.142 4.068 ( 7.881 -2.492 0.982) 8.323 4.230 ( -6.141 -7.025 -1.840) 9.510 4.422 ( 1.868 -0.871 -2.433) 3.188 4.447 ( -0.089 -0.074 -3.169) 3.171 4.514 ( -1.673 3.293 -8.442) 9.214 5.077 ( -1.789 0.379 3.755) 4.176 5.214 ( -3.948 6.947 2.193) 8.286 6.234 ( 3.419 -1.468 1.913) 4.183 6.290 ( -2.130 4.869 8.827) 10.303 6.455 ( 4.305 3.456 12.815) 13.954 7.149 ( 0.580 -10.108 -1.717) 10.269 7.248 ( -1.317 -0.493 -6.100) 6.260 7.330 ( -2.003 2.534 -3.419) 4.703 7.733 ( 0.261 10.326 0.341) 10.335 8.175 ( -2.464 -4.208 -0.036) 4.877 8.357 ( -2.342 -5.902 4.986) 8.074 8.516 ( 0.887 0.839 1.038) 1.603 9.177 ( 2.495 -1.794 -8.648) 9.178 9.323 ( 3.944 2.737 -11.070) 12.066 9.846 ( 1.111 0.605 1.755) 2.163 9.871 ( -0.407 1.954 2.696) 3.354 10.023 ( -0.588 2.047 -0.641) 2.225 10.083 ( -3.990 -0.479 5.066) 6.466 10.369 ( -0.124 4.887 -4.370) 6.557 10.656 ( -0.677 1.227 1.392) 1.975 10.775 ( 1.019 -2.330 0.389) 2.573 10.998 ( -3.256 3.849 -7.459) 9.003 12.150 ( -4.077 0.091 5.345) 6.723 12.381 ( 2.739 0.902 -4.419) 5.276 13.044 ( -0.780 -2.454 6.232) 6.743 13.202 ( 7.461 -4.899 -0.004) 8.926 ======================= Grid point 257 (130/205) ======================= q-point: (-0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.807 ( -23.137 1.955 12.140) 26.202 2.976 ( -22.131 2.881 7.762) 23.629 3.446 ( 0.734 1.646 2.161) 2.814 3.721 ( 6.222 -0.354 -2.371) 6.668 3.837 ( 2.209 -1.670 3.097) 4.155 4.002 ( -10.807 -3.980 1.418) 11.604 4.238 ( 1.347 -1.284 -0.287) 1.883 4.402 ( -2.385 5.378 -1.393) 6.045 4.436 ( 1.949 -1.050 -6.799) 7.150 4.447 ( 0.540 1.069 -2.519) 2.790 4.959 ( -7.915 5.900 3.999) 10.651 5.245 ( 2.511 1.785 2.693) 4.092 6.306 ( 4.056 -1.361 2.118) 4.774 6.377 ( 1.540 0.341 8.937) 9.075 6.665 ( 8.553 0.876 4.075) 9.515 7.103 ( -4.280 -0.062 -0.919) 4.378 7.214 ( 2.702 -8.214 -5.299) 10.141 7.293 ( 1.318 3.951 -1.818) 4.544 7.719 ( -1.979 9.833 0.291) 10.034 8.103 ( -5.090 -2.705 0.864) 5.829 8.334 ( -4.864 -6.111 5.775) 9.714 8.522 ( -0.899 0.506 0.785) 1.297 9.163 ( 3.888 -2.926 -9.551) 10.720 9.320 ( 5.160 2.920 -11.405) 12.854 9.863 ( -0.636 1.134 1.424) 1.928 9.903 ( 1.714 1.639 0.545) 2.434 10.019 ( -0.144 3.145 2.108) 3.789 10.101 ( 0.599 -2.982 7.278) 7.888 10.337 ( 0.138 5.962 -2.915) 6.638 10.630 ( -1.094 0.137 -3.685) 3.846 10.764 ( -2.276 -1.827 0.566) 2.972 10.916 ( -1.310 5.064 -3.171) 6.117 12.112 ( -4.258 0.464 5.031) 6.608 12.404 ( 3.021 1.211 -3.472) 4.759 13.056 ( -2.563 -3.094 4.688) 6.174 13.331 ( 6.689 -5.686 -1.600) 8.923 ======================= Grid point 258 (131/205) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( -24.774 6.127 15.546) 29.882 2.614 ( -24.851 -0.996 16.518) 29.856 3.442 ( -2.453 1.130 0.444) 2.737 3.739 ( -16.360 4.721 10.737) 20.131 3.794 ( -1.621 0.802 2.071) 2.750 3.916 ( 0.914 -1.324 3.699) 4.034 4.168 ( -4.897 3.112 -1.400) 5.969 4.381 ( 0.878 4.370 -3.276) 5.532 4.426 ( 1.469 -1.605 -4.075) 4.620 4.451 ( 2.114 -0.646 -1.903) 2.917 4.945 ( 3.598 1.878 0.095) 4.060 5.292 ( -0.098 1.336 2.819) 3.122 6.422 ( 6.430 -3.152 1.365) 7.290 6.465 ( 0.725 -3.009 7.850) 8.438 6.786 ( 4.471 -1.476 -2.487) 5.325 7.031 ( -0.926 4.221 -2.619) 5.053 7.223 ( 0.028 -8.473 0.006) 8.473 7.357 ( 5.192 2.718 -1.041) 5.952 7.671 ( -3.165 9.641 0.368) 10.154 8.016 ( -5.481 -1.790 2.997) 6.498 8.269 ( -6.443 -5.329 5.243) 9.869 8.502 ( -1.748 -0.142 0.806) 1.930 9.172 ( 4.845 -2.723 -9.505) 11.011 9.338 ( 5.547 1.802 -9.375) 11.041 9.856 ( -0.525 1.040 -0.238) 1.189 9.923 ( 0.472 2.344 -0.555) 2.455 10.054 ( 0.947 3.411 4.360) 5.616 10.179 ( 2.286 -3.257 1.699) 4.327 10.357 ( 2.373 4.645 4.463) 6.864 10.582 ( 1.100 -0.681 -6.370) 6.501 10.714 ( -4.335 0.586 2.886) 5.241 10.879 ( -0.901 4.871 -1.635) 5.216 12.071 ( -4.229 0.673 4.869) 6.485 12.436 ( 3.062 1.663 -3.096) 4.661 13.024 ( -3.795 -3.688 2.708) 5.945 13.408 ( 3.661 -6.143 -4.642) 8.526 ======================= Grid point 259 (132/205) ======================= q-point: (-0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( -25.865 5.073 20.248) 33.237 2.372 ( -18.892 5.610 24.627) 31.542 3.351 ( -7.604 5.037 1.600) 9.260 3.525 ( -17.241 10.117 23.319) 30.715 3.717 ( -9.634 3.126 1.164) 10.195 4.004 ( 4.367 -2.387 4.105) 6.451 4.102 ( -0.059 -1.999 -2.648) 3.318 4.372 ( 2.438 6.045 -5.265) 8.379 4.433 ( 1.044 -2.405 -0.569) 2.683 4.490 ( 4.055 -0.529 -3.249) 5.223 5.034 ( 5.253 -0.633 -1.172) 5.419 5.289 ( -1.714 0.863 1.279) 2.306 6.513 ( -1.234 -6.934 4.484) 8.349 6.545 ( 5.695 -4.434 -0.040) 7.218 6.843 ( 3.749 -2.116 -1.211) 4.472 7.033 ( 3.169 6.072 -3.292) 7.599 7.219 ( -1.674 -7.352 3.362) 8.256 7.410 ( 1.537 2.030 -2.712) 3.720 7.626 ( -1.634 9.996 0.989) 10.176 7.951 ( -4.895 -2.088 4.948) 7.267 8.193 ( -5.239 -4.187 4.546) 8.102 8.474 ( -1.919 -0.538 0.970) 2.217 9.186 ( 4.478 -1.192 -9.522) 10.589 9.379 ( 5.144 -0.524 -6.435) 8.255 9.843 ( -0.111 0.713 -1.366) 1.545 9.919 ( -0.100 2.610 -1.087) 2.829 10.101 ( -0.003 2.643 4.439) 5.166 10.211 ( 2.519 2.117 -2.793) 4.316 10.482 ( 4.434 -1.088 8.149) 9.340 10.581 ( 1.427 -4.766 -3.688) 6.193 10.667 ( -2.104 3.729 4.171) 5.977 10.870 ( 2.374 6.494 -1.355) 7.046 12.036 ( -3.625 0.742 5.065) 6.272 12.466 ( 2.845 2.212 -3.405) 4.958 12.961 ( -4.410 -4.040 1.072) 6.076 13.375 ( -2.430 -5.697 -7.722) 9.899 ======================= Grid point 260 (133/205) ======================= q-point: (-0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( -12.890 7.833 26.138) 30.178 2.270 ( -13.308 13.187 25.899) 31.965 3.256 ( -4.219 5.780 3.707) 8.059 3.442 ( -10.752 5.450 11.326) 16.540 3.523 ( -11.275 9.063 14.268) 20.319 4.047 ( -1.626 0.778 2.494) 3.077 4.150 ( 3.418 -7.035 0.639) 7.847 4.399 ( 3.243 3.965 -2.685) 5.783 4.472 ( 4.065 -0.216 0.877) 4.164 4.533 ( 3.701 -1.189 -5.512) 6.744 5.102 ( 2.551 -1.502 -0.331) 2.979 5.253 ( -2.402 -0.168 -0.472) 2.454 6.482 ( -5.592 -7.085 3.930) 9.844 6.619 ( 1.805 -3.870 0.200) 4.275 6.885 ( 1.856 -4.397 -3.279) 5.791 7.075 ( 3.115 5.889 -1.686) 6.872 7.221 ( -0.485 -5.606 1.865) 5.928 7.399 ( 1.461 3.780 -4.206) 5.841 7.629 ( 0.291 9.026 2.136) 9.280 7.906 ( -4.599 -3.127 6.030) 8.203 8.172 ( -0.350 -3.427 4.649) 5.787 8.446 ( -1.930 -0.665 0.791) 2.189 9.189 ( 3.162 -0.301 -7.618) 8.254 9.408 ( 2.993 -1.835 -6.087) 7.027 9.829 ( -0.120 0.551 -1.696) 1.788 9.904 ( -0.207 3.150 -1.793) 3.631 10.129 ( -0.284 1.951 3.860) 4.334 10.238 ( 2.755 4.856 -2.626) 6.170 10.508 ( -4.612 -1.744 2.378) 5.474 10.626 ( 1.893 -6.680 1.587) 7.122 10.707 ( 0.967 3.251 6.238) 7.101 11.010 ( 14.807 4.028 -3.276) 15.691 12.025 ( -1.734 0.328 5.734) 6.000 12.484 ( 2.352 2.738 -4.682) 5.912 12.886 ( -4.177 -4.233 0.782) 5.998 13.204 ( -8.872 -2.929 -7.076) 11.721 ======================= Grid point 261 (134/205) ======================= q-point: ( 0.00 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 9.196 19.759 20.469) 29.899 2.634 ( -2.090 18.130 19.805) 26.931 3.344 ( 2.059 6.529 -3.217) 7.564 3.387 ( -5.108 8.946 -7.005) 12.457 3.803 ( -0.390 4.874 17.548) 18.216 4.058 ( -0.974 -4.432 3.730) 5.874 4.129 ( -4.606 10.205 13.833) 17.797 4.371 ( 0.256 -4.186 -0.892) 4.288 4.471 ( -0.076 -4.194 -5.147) 6.640 4.680 ( 8.188 4.380 -0.229) 9.289 5.039 ( -3.955 -4.776 -0.078) 6.201 5.190 ( -0.488 -1.061 -2.637) 2.883 6.333 ( -5.583 -1.907 5.456) 8.036 6.546 ( -0.131 -5.100 2.836) 5.836 6.732 ( -4.247 -5.066 -1.064) 6.696 7.142 ( -3.347 -0.757 3.912) 5.204 7.238 ( 3.660 4.553 -3.871) 7.008 7.498 ( 1.885 4.225 -2.332) 5.181 7.758 ( -0.747 3.261 -0.557) 3.392 7.816 ( 0.367 -3.442 4.437) 5.628 8.145 ( 3.308 -6.897 3.645) 8.473 8.380 ( -1.702 -2.679 -1.876) 3.687 9.185 ( 0.733 0.726 -1.456) 1.784 9.393 ( 3.143 0.132 -6.571) 7.286 9.846 ( 0.435 2.197 -1.099) 2.495 9.962 ( 0.326 3.884 -1.342) 4.123 10.165 ( -2.754 0.123 3.951) 4.818 10.362 ( 3.756 2.388 -3.740) 5.814 10.442 ( -0.509 -0.878 2.032) 2.272 10.564 ( -0.763 0.656 -0.363) 1.070 10.814 ( -2.045 3.464 6.034) 7.252 11.232 ( 9.620 -1.693 -4.672) 10.828 12.064 ( -0.418 1.192 5.799) 5.935 12.511 ( 0.599 0.658 -8.565) 8.611 12.759 ( -1.158 -3.253 3.620) 5.003 12.986 ( -4.867 -1.701 -3.711) 6.352 ======================= Grid point 262 (135/205) ======================= q-point: ( 0.11 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( 7.231 17.503 16.055) 24.827 2.801 ( 12.861 14.298 16.923) 25.617 3.289 ( 2.476 8.040 -9.148) 12.428 3.408 ( 6.557 7.815 -2.707) 10.554 3.908 ( -0.140 0.004 6.636) 6.638 4.029 ( -5.825 -2.717 4.030) 7.586 4.192 ( -0.918 12.707 16.121) 20.548 4.371 ( 1.208 -4.606 -2.059) 5.188 4.427 ( -0.717 -4.338 -2.836) 5.232 4.827 ( 6.592 3.308 1.068) 7.452 4.927 ( -6.623 -5.348 -1.670) 8.675 5.177 ( 0.478 0.236 -0.944) 1.084 6.265 ( -5.803 -2.183 4.723) 7.794 6.522 ( -7.793 4.000 8.764) 12.391 6.656 ( -0.576 -9.771 -4.461) 10.756 7.073 ( -6.300 0.535 2.285) 6.723 7.282 ( 3.806 2.449 -2.414) 5.130 7.506 ( 0.994 3.763 -3.483) 5.223 7.766 ( 1.559 3.038 0.997) 3.558 7.885 ( 3.401 -3.615 2.909) 5.753 8.224 ( 1.348 -7.582 3.155) 8.322 8.348 ( 1.127 -2.858 -2.375) 3.883 9.190 ( 0.859 1.570 -1.061) 2.080 9.399 ( 2.872 0.655 -6.573) 7.203 9.848 ( 0.349 2.881 -0.331) 2.921 9.960 ( 0.444 4.655 -0.955) 4.772 10.124 ( -3.526 -0.853 1.868) 4.081 10.383 ( -0.441 0.232 -1.483) 1.565 10.471 ( 2.503 4.787 -0.405) 5.417 10.551 ( 0.104 -2.321 0.623) 2.406 10.789 ( -4.218 4.754 3.818) 7.414 11.317 ( 3.988 -2.340 -7.131) 8.499 12.117 ( 0.420 -0.658 6.527) 6.574 12.449 ( 0.207 0.087 -7.993) 7.997 12.783 ( 0.601 -2.341 3.008) 3.859 12.914 ( -0.728 -0.895 -0.739) 1.370 ======================= Grid point 263 (136/205) ======================= q-point: ( 0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.999 ( 8.025 12.756 10.623) 18.438 3.180 ( 10.092 8.841 10.195) 16.851 3.339 ( 9.648 5.957 -6.428) 13.034 3.542 ( 7.177 6.755 2.092) 10.076 3.893 ( -6.127 -0.680 2.189) 6.542 3.929 ( -4.781 3.089 2.821) 6.352 4.262 ( 1.756 -1.032 -3.423) 3.983 4.388 ( -0.959 -1.633 1.149) 2.215 4.428 ( 1.658 -1.415 2.932) 3.653 4.778 ( -6.604 -4.624 -4.614) 9.289 4.937 ( 4.534 3.091 1.121) 5.601 5.212 ( 2.991 3.685 3.577) 5.943 6.193 ( -5.098 -3.717 3.036) 7.002 6.442 ( -7.789 7.434 11.704) 15.903 6.611 ( -2.806 -3.966 -1.853) 5.199 6.973 ( -5.790 -1.772 3.258) 6.876 7.331 ( 2.220 0.191 -1.066) 2.470 7.479 ( -0.002 3.822 -5.095) 6.369 7.820 ( 3.671 5.644 -0.461) 6.749 7.975 ( 3.432 -5.778 2.839) 7.296 8.241 ( -1.039 -7.522 2.751) 8.077 8.391 ( 4.058 -3.164 -1.464) 5.351 9.199 ( 1.379 1.755 -2.307) 3.210 9.394 ( 2.442 1.161 -7.199) 7.690 9.851 ( 0.142 2.854 -0.230) 2.866 9.960 ( -0.478 5.338 0.456) 5.379 10.075 ( -2.462 -1.660 0.151) 2.973 10.310 ( -5.907 0.892 -0.441) 5.990 10.495 ( 1.307 5.828 -2.437) 6.451 10.602 ( 3.883 -3.802 0.716) 5.481 10.741 ( -3.142 5.871 2.754) 7.206 11.280 ( -0.978 -0.247 -7.999) 8.062 12.164 ( -1.123 -0.559 6.490) 6.610 12.404 ( 1.413 0.516 -6.961) 7.122 12.832 ( 2.831 -3.445 2.056) 4.910 12.934 ( 1.534 -2.646 2.143) 3.734 ======================= Grid point 264 (137/205) ======================= q-point: ( 0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.210 ( 4.260 7.088 6.804) 10.709 3.336 ( 6.131 5.762 -0.774) 8.450 3.477 ( 5.394 4.917 -0.293) 7.305 3.600 ( -9.031 4.854 11.319) 15.272 3.811 ( -0.686 -0.007 -1.586) 1.728 3.921 ( 3.587 2.776 -1.407) 4.749 4.232 ( -1.822 -5.445 -5.901) 8.233 4.359 ( -1.047 -3.359 -0.900) 3.631 4.451 ( 0.410 -1.550 -2.079) 2.626 4.634 ( -3.059 -1.920 -6.764) 7.668 5.024 ( 3.697 2.571 2.201) 5.012 5.330 ( 4.186 5.932 4.230) 8.402 6.146 ( -1.605 -3.025 3.309) 4.762 6.440 ( -2.626 6.447 12.481) 14.291 6.514 ( -7.998 6.496 4.760) 11.350 6.931 ( -1.430 -6.989 3.101) 7.779 7.323 ( -1.893 -0.110 -1.806) 2.619 7.445 ( 0.693 4.266 -4.880) 6.519 7.880 ( 3.611 7.353 -2.720) 8.632 8.047 ( 1.748 -7.287 2.551) 7.916 8.241 ( -1.716 -7.463 3.591) 8.458 8.453 ( 3.481 -2.857 -1.053) 4.624 9.195 ( 0.838 1.273 -4.632) 4.876 9.383 ( 3.011 1.926 -8.099) 8.853 9.850 ( -0.024 1.900 -0.184) 1.909 9.943 ( -2.246 4.323 1.763) 5.181 10.044 ( -0.720 -0.700 -0.143) 1.014 10.193 ( -5.728 2.886 0.320) 6.422 10.491 ( 0.558 4.641 -2.873) 5.487 10.660 ( 2.282 -3.205 -2.525) 4.675 10.734 ( -0.390 4.859 4.244) 6.463 11.178 ( -2.729 2.079 -7.726) 8.454 12.177 ( -2.662 0.725 6.043) 6.643 12.392 ( 2.530 1.067 -5.809) 6.425 12.918 ( 3.699 -4.424 2.959) 6.481 12.986 ( 2.167 -5.444 2.406) 6.334 ======================= Grid point 265 (138/205) ======================= q-point: (-0.56 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.139 ( -14.545 4.083 6.403) 16.408 3.411 ( -10.980 7.050 1.235) 13.107 3.466 ( -0.597 5.766 3.031) 6.541 3.598 ( 6.596 2.865 3.835) 8.150 3.782 ( 0.098 -2.202 -4.444) 4.960 4.007 ( 2.569 -3.619 -0.842) 4.517 4.113 ( -2.419 -5.317 -2.550) 6.374 4.356 ( 1.499 -5.183 -3.535) 6.451 4.458 ( 2.310 0.818 -1.678) 2.970 4.558 ( 0.630 1.036 -8.252) 8.340 5.108 ( 1.799 2.964 4.751) 5.882 5.352 ( -4.047 6.442 0.917) 7.663 6.196 ( 2.672 -2.341 4.510) 5.741 6.420 ( -5.363 7.197 6.042) 10.819 6.544 ( 2.043 6.084 13.160) 14.642 6.954 ( 1.148 -8.042 3.005) 8.662 7.257 ( -2.904 1.321 -2.431) 4.011 7.416 ( 0.053 5.396 -4.273) 6.883 7.901 ( 1.396 6.684 -3.903) 7.865 8.068 ( -1.157 -6.431 1.122) 6.630 8.231 ( -3.030 -7.306 5.110) 9.416 8.496 ( 1.606 -2.856 -0.763) 3.364 9.160 ( 0.245 0.529 -5.923) 5.951 9.381 ( 4.081 2.896 -9.583) 10.811 9.860 ( 1.047 0.638 1.268) 1.764 9.919 ( -1.409 2.457 1.633) 3.269 10.041 ( -0.387 0.446 1.379) 1.500 10.116 ( -3.192 3.969 1.367) 5.273 10.474 ( 0.367 5.168 -3.232) 6.107 10.654 ( 0.379 -2.408 -4.530) 5.144 10.764 ( -0.378 2.486 3.660) 4.440 11.076 ( -2.104 3.886 -6.021) 7.468 12.164 ( -3.418 1.713 5.390) 6.608 12.405 ( 3.271 1.689 -4.652) 5.932 12.975 ( -0.871 -4.796 4.255) 6.471 13.075 ( 5.928 -8.036 0.678) 10.009 ======================= Grid point 266 (139/205) ======================= q-point: (-0.44 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( -18.999 6.343 11.440) 23.067 3.072 ( -23.556 7.025 3.888) 24.887 3.493 ( -0.798 3.093 1.802) 3.668 3.709 ( 5.536 -1.191 -7.528) 9.420 3.791 ( 0.591 -2.637 6.161) 6.727 3.934 ( -4.936 -3.264 0.355) 5.928 4.191 ( 5.518 -3.432 1.387) 6.645 4.357 ( 2.515 -4.837 -4.514) 7.079 4.481 ( 0.923 2.058 -2.121) 3.096 4.515 ( 1.361 3.927 -8.495) 9.457 5.102 ( -7.658 7.933 5.427) 12.289 5.298 ( -0.264 3.535 1.873) 4.009 6.279 ( 2.497 -2.013 4.328) 5.387 6.404 ( -2.736 3.319 7.743) 8.858 6.679 ( 3.498 0.170 4.712) 5.871 7.019 ( 2.268 -5.384 4.827) 7.578 7.182 ( -3.146 2.965 -1.885) 4.716 7.402 ( 2.238 6.557 -3.492) 7.758 7.874 ( -0.964 5.405 -3.718) 6.630 8.029 ( -3.442 -4.555 0.853) 5.772 8.202 ( -4.925 -7.342 5.954) 10.659 8.498 ( -0.542 -2.978 -0.782) 3.126 9.129 ( 1.397 -0.073 -5.145) 5.331 9.381 ( 4.405 3.105 -10.596) 11.888 9.889 ( 0.157 1.288 -0.131) 1.305 9.937 ( 2.666 0.993 1.955) 3.452 10.045 ( -1.385 -1.385 4.096) 4.540 10.099 ( -0.010 4.872 2.196) 5.344 10.461 ( 0.797 6.002 -2.456) 6.534 10.607 ( -0.329 -2.528 -6.957) 7.409 10.772 ( -1.823 2.652 3.703) 4.906 11.009 ( -1.096 4.409 -3.839) 5.948 12.136 ( -3.751 2.320 4.743) 6.477 12.438 ( 3.744 2.343 -3.912) 5.900 12.967 ( -2.935 -6.117 3.339) 7.562 13.188 ( 5.654 -8.826 -0.700) 10.505 ======================= Grid point 267 (140/205) ======================= q-point: (-0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( -21.696 10.747 12.530) 27.262 2.669 ( -21.138 7.481 14.978) 26.965 3.470 ( -2.384 1.603 0.600) 2.935 3.752 ( 3.339 -3.931 -0.973) 5.248 3.790 ( -4.680 -0.295 2.094) 5.136 3.894 ( -2.150 -1.144 4.883) 5.457 4.257 ( -1.585 2.968 3.703) 5.004 4.384 ( 2.767 -2.630 -3.155) 4.953 4.441 ( -2.140 2.333 -1.754) 3.619 4.487 ( 2.496 4.981 -6.765) 8.764 5.015 ( -2.335 5.564 0.924) 6.105 5.321 ( -0.656 1.494 2.939) 3.361 6.365 ( 3.601 -3.100 3.052) 5.648 6.413 ( -2.356 -0.989 5.882) 6.413 6.742 ( 1.715 -3.229 1.002) 3.791 7.090 ( 0.440 -2.735 5.523) 6.178 7.130 ( -0.919 3.772 -0.485) 3.912 7.440 ( 3.731 5.551 -2.668) 7.200 7.818 ( -1.831 4.826 -2.844) 5.893 7.966 ( -4.466 -3.072 2.276) 5.879 8.143 ( -5.929 -7.337 5.441) 10.890 8.473 ( -1.348 -3.080 -0.625) 3.419 9.135 ( 2.930 -0.420 -4.000) 4.976 9.381 ( 4.197 2.353 -9.948) 11.051 9.878 ( -0.117 1.184 -1.796) 2.154 9.986 ( 0.444 4.202 0.449) 4.249 10.076 ( 1.003 -5.672 4.566) 7.350 10.146 ( 2.764 4.883 3.018) 6.371 10.475 ( 1.763 6.341 0.357) 6.591 10.548 ( 0.060 -2.483 -6.663) 7.111 10.758 ( -2.676 3.564 3.774) 5.840 10.972 ( -0.120 4.414 -2.549) 5.098 12.101 ( -3.763 2.695 4.292) 6.312 12.480 ( 3.943 2.917 -3.876) 6.251 12.923 ( -4.045 -6.828 2.079) 8.204 13.257 ( 2.902 -9.208 -3.027) 10.118 ======================= Grid point 268 (141/205) ======================= q-point: (-0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( -20.314 14.554 16.182) 29.772 2.546 ( -12.351 12.182 23.630) 29.314 3.418 ( -3.129 2.808 -0.569) 4.242 3.703 ( -7.321 5.300 5.586) 10.625 3.769 ( -4.758 0.004 3.504) 5.909 3.917 ( 2.431 -4.973 4.401) 7.072 4.191 ( -8.621 11.414 8.298) 16.536 4.377 ( -0.286 -2.762 -0.378) 2.803 4.460 ( 4.393 -2.098 -4.423) 6.577 4.495 ( 3.660 5.700 -5.411) 8.670 5.025 ( 3.055 0.021 -2.300) 3.824 5.304 ( -2.995 0.404 1.552) 3.397 6.405 ( -2.894 -3.691 5.031) 6.879 6.451 ( 3.889 -4.777 0.123) 6.161 6.779 ( 1.198 -4.092 1.391) 4.485 7.122 ( -2.619 -2.852 8.457) 9.302 7.146 ( 3.471 5.380 -2.166) 6.758 7.476 ( 2.277 4.506 -2.898) 5.821 7.774 ( -0.777 4.645 -1.820) 5.049 7.901 ( -5.171 -2.486 3.918) 6.948 8.081 ( -4.293 -7.078 4.523) 9.433 8.445 ( -1.202 -2.850 -0.390) 3.118 9.163 ( 3.022 -0.517 -3.770) 4.859 9.384 ( 3.748 0.867 -8.299) 9.147 9.862 ( 0.180 1.132 -2.336) 2.602 9.981 ( -0.642 3.598 0.007) 3.655 10.119 ( 0.248 -2.428 3.897) 4.598 10.241 ( 5.076 3.012 0.705) 5.944 10.496 ( -0.339 -1.722 -2.435) 3.002 10.535 ( 1.715 3.335 1.223) 3.944 10.743 ( -1.705 4.225 4.244) 6.227 10.979 ( 3.129 4.577 -1.587) 5.766 12.067 ( -3.320 2.833 4.224) 6.074 12.520 ( 3.793 3.202 -4.704) 6.839 12.854 ( -4.531 -6.883 1.250) 8.335 13.238 ( -1.604 -8.239 -5.217) 9.883 ======================= Grid point 269 (142/205) ======================= q-point: (-0.11 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( -6.541 19.611 20.468) 29.091 2.552 ( -7.370 15.860 23.805) 29.538 3.359 ( -1.604 5.138 -1.755) 5.662 3.571 ( -9.040 7.465 -2.240) 11.936 3.718 ( -5.355 6.318 14.974) 17.112 4.014 ( 2.512 -6.945 4.545) 8.672 4.126 ( -6.115 10.199 11.279) 16.390 4.373 ( -0.113 -3.813 -0.043) 3.815 4.491 ( 2.205 -3.228 -4.425) 5.905 4.552 ( 6.808 5.958 -4.054) 9.914 5.061 ( 1.817 -2.771 -1.734) 3.740 5.244 ( -3.430 -1.002 -0.642) 3.631 6.381 ( -4.070 -3.196 5.273) 7.388 6.511 ( 2.601 -6.596 -0.219) 7.094 6.790 ( -1.535 -4.437 0.893) 4.780 7.141 ( -2.150 -1.936 7.817) 8.335 7.198 ( 4.193 5.229 -3.952) 7.781 7.486 ( 1.473 4.648 -2.624) 5.537 7.763 ( 0.992 4.499 -1.774) 4.937 7.834 ( -5.523 -3.453 5.177) 8.320 8.075 ( 0.241 -6.621 4.130) 7.807 8.419 ( -1.304 -2.544 -0.724) 2.949 9.181 ( 1.731 -0.114 -2.985) 3.452 9.388 ( 3.189 -0.134 -7.168) 7.846 9.850 ( 0.404 1.481 -1.982) 2.507 9.969 ( -0.224 3.434 -0.818) 3.537 10.155 ( -0.164 -0.237 4.613) 4.622 10.319 ( 3.841 2.924 -2.377) 5.381 10.460 ( -1.948 -3.519 -0.176) 4.026 10.568 ( 0.451 2.522 0.748) 2.669 10.774 ( 0.272 3.611 6.293) 7.260 11.075 ( 8.563 2.522 -1.997) 9.147 12.049 ( -2.222 2.517 4.737) 5.807 12.540 ( 2.854 2.594 -6.763) 7.785 12.784 ( -3.863 -5.811 2.026) 7.266 13.126 ( -5.311 -5.152 -5.473) 9.203 ======================= Grid point 270 (143/205) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.789 ( 7.737 21.312 14.556) 26.943 2.963 ( -0.392 16.050 15.466) 22.292 3.461 ( 2.637 4.776 -0.689) 5.499 3.574 ( -4.381 9.743 -4.782) 11.704 3.772 ( 3.272 -6.157 5.748) 9.036 3.970 ( 0.141 -4.391 6.250) 7.639 4.287 ( -0.298 -3.908 -1.426) 4.170 4.372 ( -1.604 -4.372 -2.573) 5.321 4.436 ( -4.769 16.455 14.274) 22.299 4.767 ( 7.255 4.918 -2.027) 8.996 4.940 ( -4.772 -5.428 -0.530) 7.247 5.152 ( 0.952 -3.159 -3.511) 4.818 6.296 ( -4.805 -1.882 2.730) 5.838 6.417 ( 0.543 -7.098 1.622) 7.302 6.728 ( -6.292 3.981 8.065) 10.976 7.096 ( -1.888 -4.146 4.219) 6.209 7.345 ( 1.070 6.387 0.424) 6.490 7.552 ( -0.193 1.337 0.654) 1.500 7.729 ( -1.624 -3.315 4.254) 5.633 7.847 ( 2.782 3.355 -4.510) 6.271 7.991 ( 2.761 -7.818 2.079) 8.548 8.301 ( -0.566 -5.586 -3.870) 6.819 9.228 ( 0.948 3.726 0.352) 3.860 9.398 ( 3.024 -0.006 -5.670) 6.426 9.891 ( 0.970 2.489 -0.537) 2.725 10.020 ( 0.890 1.514 -0.728) 1.902 10.147 ( -2.482 -1.045 3.351) 4.299 10.321 ( 3.036 -5.035 -2.825) 6.522 10.477 ( -0.459 4.947 1.830) 5.294 10.635 ( -0.859 3.662 -0.152) 3.764 10.886 ( -0.388 4.664 3.994) 6.153 11.192 ( 5.978 -2.861 -2.163) 6.972 12.125 ( -0.937 5.019 3.587) 6.240 12.484 ( -0.824 -3.645 -6.050) 7.111 12.725 ( 0.656 0.029 1.079) 1.263 12.928 ( -2.556 -4.160 -3.974) 6.295 ======================= Grid point 271 (144/205) ======================= q-point: ( 0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.083 ( 6.293 14.196 11.335) 19.225 3.092 ( 8.173 14.905 11.452) 20.497 3.469 ( 0.884 10.019 -6.353) 11.897 3.557 ( 5.491 7.314 -0.726) 9.174 3.864 ( 1.268 -4.387 4.729) 6.574 3.995 ( -1.613 -1.460 3.925) 4.487 4.256 ( -0.978 -4.535 -5.176) 6.951 4.331 ( -0.277 -4.822 -0.379) 4.845 4.466 ( -3.388 11.282 10.769) 15.961 4.781 ( -5.642 -5.533 -1.117) 7.981 4.936 ( 5.568 4.529 0.641) 7.206 5.179 ( 3.770 -0.204 -0.926) 3.888 6.213 ( -6.270 -2.553 2.964) 7.390 6.437 ( 0.554 -10.087 0.009) 10.102 6.662 ( -7.845 8.191 10.866) 15.707 7.072 ( -3.493 -1.919 2.496) 4.703 7.357 ( -0.255 5.509 1.021) 5.608 7.550 ( -0.590 0.746 0.257) 0.986 7.762 ( 1.817 -2.855 3.860) 5.134 7.883 ( 4.555 3.276 -4.298) 7.067 8.054 ( 1.285 -9.417 2.777) 9.902 8.275 ( 1.842 -4.827 -4.215) 6.668 9.246 ( 1.138 4.182 -0.636) 4.380 9.408 ( 2.745 0.106 -5.690) 6.318 9.904 ( 0.537 2.848 -0.158) 2.902 10.035 ( 1.411 1.751 -0.999) 2.461 10.102 ( -3.915 0.273 2.137) 4.468 10.369 ( 3.199 -4.203 -3.847) 6.534 10.482 ( -0.447 2.542 3.198) 4.110 10.609 ( -1.650 3.503 -0.287) 3.882 10.891 ( -1.545 6.347 2.172) 6.884 11.262 ( 3.568 -3.700 -3.946) 6.480 12.149 ( -0.017 3.851 4.693) 6.071 12.431 ( 0.288 -2.144 -5.934) 6.316 12.744 ( 0.366 -1.374 1.361) 1.968 12.871 ( -0.695 -3.357 -2.305) 4.131 ======================= Grid point 272 (145/205) ======================= q-point: ( 0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.230 ( 5.525 11.039 5.974) 13.714 3.356 ( 7.388 8.798 7.074) 13.492 3.480 ( 6.051 8.492 -6.033) 12.047 3.667 ( 3.589 5.951 3.205) 7.653 3.870 ( -3.589 -1.546 2.878) 4.853 3.982 ( -1.266 1.325 0.108) 1.835 4.188 ( -0.882 -4.144 -5.202) 6.709 4.352 ( 1.562 -2.804 0.427) 3.238 4.446 ( -4.827 1.659 2.149) 5.538 4.657 ( -4.596 -6.656 -4.062) 9.051 5.035 ( 3.815 6.589 1.248) 7.716 5.285 ( 6.371 3.104 3.066) 7.722 6.125 ( -5.322 -2.545 3.717) 6.973 6.433 ( 0.134 -9.935 -1.917) 10.119 6.634 ( -5.415 10.070 14.275) 18.289 7.009 ( -5.969 2.194 4.414) 7.741 7.357 ( -0.654 3.136 0.791) 3.300 7.532 ( -0.859 1.265 -1.066) 1.864 7.845 ( 3.308 -4.086 3.506) 6.319 7.938 ( 4.675 3.313 -4.328) 7.180 8.077 ( -0.951 -8.683 3.561) 9.433 8.311 ( 4.752 -5.100 -3.490) 7.796 9.257 ( 1.144 4.104 -2.366) 4.874 9.409 ( 2.295 0.221 -6.017) 6.444 9.904 ( -0.106 2.532 -0.962) 2.711 10.030 ( -2.894 -2.561 0.654) 3.919 10.070 ( 0.707 6.047 -0.213) 6.092 10.340 ( -2.701 0.851 -3.063) 4.172 10.526 ( 1.625 -2.608 2.703) 4.092 10.579 ( -0.546 1.936 -1.183) 2.334 10.874 ( -1.161 8.185 0.622) 8.290 11.259 ( 0.246 -2.357 -5.478) 5.969 12.189 ( -0.165 3.248 5.373) 6.280 12.405 ( 1.829 -0.634 -5.596) 5.921 12.768 ( 1.423 -2.988 1.304) 3.557 12.863 ( 0.269 -4.541 0.197) 4.553 ======================= Grid point 273 (146/205) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.350 ( 0.769 7.471 3.574) 8.317 3.476 ( 6.227 8.203 -1.852) 10.464 3.576 ( 5.253 5.011 -2.696) 7.744 3.684 ( -6.977 3.568 11.113) 13.598 3.816 ( -2.478 0.563 -1.707) 3.062 3.947 ( 0.046 -0.571 -4.953) 4.986 4.142 ( -2.494 -3.360 -3.852) 5.687 4.302 ( -6.261 -2.907 -1.977) 7.181 4.409 ( 2.844 -2.299 -0.737) 3.731 4.575 ( 0.387 -3.943 -6.435) 7.557 5.111 ( 2.618 6.294 3.553) 7.687 5.413 ( 3.897 1.881 1.525) 4.588 6.099 ( -0.821 -1.112 5.094) 5.278 6.428 ( 1.019 -7.368 -1.594) 7.607 6.676 ( -3.050 11.008 15.638) 19.365 6.929 ( -6.988 4.535 7.134) 10.967 7.338 ( -1.645 2.203 -0.125) 2.753 7.514 ( 0.255 2.328 -1.726) 2.909 7.912 ( 1.246 -6.377 1.643) 6.702 7.981 ( 2.827 1.416 -3.286) 4.560 8.093 ( -0.166 -5.401 3.691) 6.544 8.375 ( 4.292 -5.195 -2.836) 7.311 9.245 ( 0.035 3.786 -3.896) 5.432 9.406 ( 2.685 0.255 -6.106) 6.675 9.886 ( -0.660 1.878 -1.352) 2.406 9.976 ( -2.743 -1.001 0.236) 2.930 10.086 ( 0.827 5.351 -0.478) 5.436 10.256 ( -3.741 2.940 -1.369) 4.951 10.543 ( -1.108 0.407 1.729) 2.094 10.587 ( 2.139 -3.491 -2.727) 4.920 10.863 ( -0.310 8.219 0.094) 8.226 11.199 ( -1.426 -0.421 -5.963) 6.145 12.219 ( -1.235 3.818 5.243) 6.602 12.411 ( 3.071 0.697 -4.844) 5.778 12.826 ( 3.696 -5.037 1.249) 6.371 12.870 ( -0.596 -6.208 1.917) 6.524 ======================= Grid point 274 (147/205) ======================= q-point: (-0.56 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.259 ( -11.495 8.095 3.416) 14.468 3.539 ( -6.702 6.029 -1.296) 9.108 3.592 ( -3.562 6.751 2.190) 7.942 3.662 ( 3.743 3.536 3.102) 6.011 3.722 ( -3.061 -3.429 -5.749) 7.361 3.939 ( -0.336 -3.512 -2.129) 4.121 4.027 ( -1.187 -3.512 -1.520) 4.007 4.240 ( 0.444 -6.859 -2.633) 7.360 4.471 ( 4.181 0.552 -1.905) 4.627 4.557 ( 3.243 -1.009 -7.786) 8.495 5.190 ( 1.712 5.463 5.602) 8.010 5.429 ( -2.451 1.317 -0.099) 2.784 6.161 ( 2.139 -0.756 5.400) 5.857 6.441 ( 1.633 -5.170 -2.226) 5.861 6.729 ( -6.272 12.197 16.637) 21.562 6.900 ( -1.193 2.042 7.877) 8.224 7.302 ( -1.906 3.655 -0.190) 4.127 7.509 ( 0.806 3.733 -2.168) 4.392 7.916 ( -1.269 -5.467 -0.098) 5.614 7.980 ( -0.686 -4.853 -1.671) 5.178 8.121 ( -0.076 -0.739 2.558) 2.664 8.416 ( 2.172 -5.265 -2.452) 6.201 9.203 ( -0.876 3.871 -3.770) 5.474 9.414 ( 3.135 0.077 -6.325) 7.059 9.872 ( 0.187 0.881 0.171) 0.917 9.939 ( -1.126 -0.199 -0.606) 1.295 10.090 ( 0.152 4.525 -0.645) 4.573 10.196 ( -1.932 3.770 0.083) 4.237 10.536 ( -0.527 1.140 0.609) 1.396 10.586 ( 0.560 -3.895 -3.982) 5.598 10.860 ( -0.228 6.853 0.156) 6.859 11.126 ( -1.385 0.931 -5.292) 5.549 12.225 ( -2.210 4.807 4.566) 6.988 12.441 ( 3.908 1.804 -4.100) 5.944 12.863 ( -1.963 -6.792 2.486) 7.495 12.919 ( 4.962 -7.639 0.896) 9.153 ======================= Grid point 275 (148/205) ======================= q-point: (-0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.049 ( -14.341 10.808 7.320) 19.392 3.231 ( -20.489 9.337 1.363) 22.558 3.537 ( -2.607 -0.004 -3.453) 4.327 3.658 ( -2.617 -3.756 2.312) 5.129 3.770 ( 4.295 0.698 -1.583) 4.630 3.874 ( -3.275 -2.768 2.333) 4.882 4.120 ( 6.785 -3.555 1.787) 7.865 4.253 ( 3.514 -5.874 -3.371) 7.630 4.518 ( 3.218 1.777 -3.818) 5.300 4.562 ( 4.118 1.269 -9.012) 9.990 5.233 ( -3.387 5.731 5.487) 8.627 5.361 ( -3.255 2.396 0.724) 4.106 6.241 ( 2.015 -1.222 4.826) 5.370 6.445 ( 0.277 -2.107 -1.796) 2.782 6.713 ( -6.969 6.004 13.644) 16.455 6.979 ( 1.192 0.279 8.098) 8.190 7.265 ( -2.069 5.738 0.351) 6.109 7.516 ( 1.833 4.713 -2.048) 5.456 7.872 ( -3.302 -4.768 0.534) 5.825 7.942 ( -1.806 -6.636 -1.518) 7.043 8.113 ( -2.601 0.545 1.762) 3.189 8.415 ( -0.114 -5.470 -2.279) 5.927 9.169 ( -0.063 4.163 -2.075) 4.652 9.418 ( 2.794 0.108 -6.976) 7.515 9.902 ( 1.423 -0.296 1.128) 1.840 9.922 ( 0.477 -0.979 -0.571) 1.230 10.083 ( -0.379 4.281 -0.500) 4.327 10.190 ( 0.848 4.026 0.950) 4.222 10.533 ( 0.663 0.842 -2.045) 2.309 10.554 ( -0.843 -1.987 -2.076) 2.995 10.854 ( -0.677 5.711 0.481) 5.772 11.068 ( -0.902 1.393 -4.169) 4.487 12.210 ( -2.763 5.590 3.736) 7.269 12.488 ( 4.389 2.497 -3.938) 6.403 12.833 ( -3.256 -7.255 2.447) 8.321 13.014 ( 4.613 -9.112 -0.322) 10.218 ======================= Grid point 276 (149/205) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.868 ( -14.952 12.961 10.721) 22.505 2.889 ( -16.568 14.815 9.075) 24.007 3.473 ( -1.959 -2.837 -1.086) 3.615 3.642 ( -2.121 -6.960 4.579) 8.597 3.773 ( -0.818 -0.911 -1.126) 1.664 3.876 ( -1.005 -0.575 3.815) 3.987 4.244 ( 3.896 -2.499 2.563) 5.291 4.316 ( 5.476 -4.116 -2.753) 7.383 4.527 ( 0.512 4.680 -3.662) 5.965 4.568 ( 4.342 3.179 -8.738) 10.262 5.142 ( -7.077 7.022 1.674) 10.109 5.340 ( -2.191 0.244 2.877) 3.624 6.310 ( 1.810 -1.959 3.525) 4.420 6.422 ( -1.403 -0.205 -0.760) 1.609 6.705 ( -3.858 1.548 10.504) 11.296 7.042 ( -1.500 -2.312 8.577) 9.009 7.240 ( -0.523 6.922 0.453) 6.957 7.540 ( 1.809 4.012 -1.419) 4.624 7.813 ( -3.735 -4.429 1.864) 6.086 7.897 ( -1.935 -6.238 -0.680) 6.567 8.058 ( -4.198 0.977 0.943) 4.412 8.387 ( -0.824 -5.762 -2.080) 6.181 9.169 ( 1.042 3.928 -0.762) 4.135 9.409 ( 2.367 0.110 -7.295) 7.671 9.896 ( 0.201 0.614 -2.566) 2.646 9.970 ( 1.395 -4.602 2.827) 5.578 10.077 ( 0.570 5.166 -0.526) 5.224 10.237 ( 2.873 3.697 1.537) 4.928 10.504 ( -0.417 -1.540 -4.102) 4.401 10.561 ( 1.030 2.205 2.009) 3.155 10.842 ( -1.155 5.226 0.897) 5.427 11.030 ( 0.078 1.418 -3.008) 3.326 12.183 ( -2.940 6.031 3.021) 7.358 12.538 ( 4.343 2.337 -4.632) 6.766 12.783 ( -3.942 -6.704 2.147) 8.068 13.074 ( 2.607 -9.737 -2.085) 10.293 ======================= Grid point 277 (150/205) ======================= q-point: (-0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( -12.614 20.130 12.070) 26.646 2.814 ( -7.753 15.468 18.445) 25.290 3.444 ( -1.418 -1.454 1.308) 2.416 3.648 ( -0.727 -9.207 3.593) 9.910 3.767 ( -1.062 0.273 3.176) 3.360 3.864 ( -2.276 -0.450 2.631) 3.508 4.301 ( 0.957 -1.867 0.965) 2.309 4.386 ( 2.768 -3.130 -0.599) 4.221 4.483 ( -3.911 10.999 2.006) 11.845 4.596 ( 5.526 4.418 -7.663) 10.430 5.047 ( -2.476 2.621 -2.235) 4.242 5.293 ( -4.814 -1.752 1.928) 5.474 6.353 ( -0.168 -2.298 2.693) 3.544 6.395 ( -0.476 -1.143 -0.509) 1.338 6.730 ( -1.894 0.216 8.686) 8.893 7.065 ( -3.311 -3.708 9.792) 10.982 7.261 ( 2.392 6.700 -0.132) 7.116 7.553 ( 0.579 2.880 -0.739) 3.029 7.769 ( -3.089 -3.731 3.041) 5.720 7.864 ( -1.242 -5.238 -0.018) 5.383 7.985 ( -3.580 0.927 0.067) 3.699 8.359 ( -0.326 -6.015 -2.060) 6.366 9.188 ( 1.260 3.259 -0.339) 3.510 9.396 ( 2.281 -0.139 -6.930) 7.297 9.883 ( 0.624 0.992 -2.573) 2.827 9.999 ( 0.255 -3.406 1.385) 3.686 10.097 ( 1.159 3.182 0.960) 3.520 10.302 ( 2.640 1.372 0.274) 2.988 10.470 ( -0.814 0.846 -0.947) 1.508 10.607 ( 1.776 2.266 1.866) 3.431 10.831 ( -0.892 5.188 1.915) 5.601 11.034 ( 2.472 1.008 -1.697) 3.163 12.151 ( -2.705 6.110 2.642) 7.186 12.568 ( 3.010 0.102 -6.045) 6.754 12.729 ( -3.221 -4.164 2.145) 5.684 13.073 ( -0.271 -8.874 -3.728) 9.629 ======================= Grid point 278 (151/205) ======================= q-point: (-0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( -2.103 23.373 14.540) 27.607 2.862 ( -3.697 16.359 19.550) 25.758 3.437 ( -0.040 1.855 0.676) 1.975 3.680 ( 0.139 -7.893 5.166) 9.434 3.710 ( -4.552 6.349 -2.534) 8.214 3.898 ( 1.170 -4.867 7.346) 8.889 4.304 ( -0.498 -2.974 -0.527) 3.061 4.401 ( -1.762 0.846 2.911) 3.506 4.440 ( -4.101 12.108 6.535) 14.358 4.659 ( 7.011 5.072 -5.639) 10.329 5.005 ( -0.533 -2.732 -3.426) 4.414 5.205 ( -4.522 -3.386 -0.505) 5.672 6.344 ( -2.695 -1.348 2.775) 4.096 6.399 ( 0.517 -4.515 0.401) 4.563 6.753 ( -3.027 1.091 7.779) 8.419 7.083 ( -2.305 -4.423 8.192) 9.591 7.310 ( 2.652 6.411 -0.359) 6.947 7.553 ( -0.178 2.138 0.011) 2.145 7.742 ( -2.864 -3.536 4.033) 6.081 7.848 ( 0.340 -0.664 -2.329) 2.446 7.948 ( -0.149 -2.985 0.868) 3.112 8.337 ( -0.307 -6.073 -2.744) 6.671 9.208 ( 0.979 3.141 0.137) 3.293 9.390 ( 2.698 -0.174 -6.202) 6.766 9.881 ( 0.983 1.693 -1.713) 2.602 10.011 ( 0.395 -0.267 0.256) 0.541 10.132 ( 0.858 -0.200 2.620) 2.765 10.319 ( 0.153 -2.922 -1.892) 3.484 10.466 ( 0.085 4.419 1.236) 4.590 10.639 ( 0.460 2.861 0.531) 2.946 10.850 ( 0.370 4.713 3.932) 6.149 11.096 ( 5.187 -0.534 -1.186) 5.347 12.128 ( -2.002 5.801 2.803) 6.746 12.545 ( -0.046 -3.603 -6.409) 7.352 12.710 ( -0.430 -0.209 1.504) 1.578 13.012 ( -2.456 -6.572 -4.435) 8.300 ======================= Grid point 279 (152/205) ======================= q-point: ( 0.00 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.152 ( 4.238 15.154 9.498) 18.380 3.222 ( 0.167 9.264 8.969) 12.895 3.490 ( 3.731 -1.140 7.310) 8.286 3.578 ( 2.921 -9.339 8.477) 12.946 3.778 ( -0.108 7.448 -2.816) 7.963 3.888 ( 1.210 -4.298 3.084) 5.426 4.238 ( -1.070 -0.741 -2.007) 2.392 4.274 ( -1.530 -4.296 -2.380) 5.144 4.706 ( -5.467 9.579 6.601) 12.854 4.836 ( -3.861 -5.506 0.860) 6.780 4.894 ( 5.516 8.783 -3.191) 10.851 5.057 ( 3.295 -7.037 -3.250) 8.423 6.275 ( -4.483 0.063 2.000) 4.909 6.310 ( -2.659 -3.805 1.914) 5.021 6.844 ( -4.692 7.414 10.979) 14.054 6.986 ( -2.974 -7.063 8.493) 11.439 7.481 ( -0.044 7.412 2.173) 7.724 7.562 ( -1.463 -0.514 2.103) 2.613 7.680 ( -0.068 -1.066 2.237) 2.479 7.755 ( 2.416 -8.832 1.760) 9.324 8.021 ( 2.263 7.576 -5.715) 9.756 8.172 ( 1.128 -7.714 -5.357) 9.459 9.311 ( 1.570 4.466 -0.672) 4.781 9.378 ( 2.307 -2.295 -3.327) 4.654 9.942 ( 1.111 2.917 0.550) 3.170 10.000 ( 0.852 -2.864 1.335) 3.273 10.164 ( -0.234 2.690 -0.541) 2.753 10.231 ( 1.141 -4.187 -1.856) 4.720 10.580 ( -1.063 5.129 2.115) 5.649 10.652 ( -1.305 -1.908 1.782) 2.919 10.998 ( 1.889 6.579 0.893) 6.903 11.115 ( 3.732 -5.311 -0.719) 6.530 12.245 ( -0.817 7.168 0.964) 7.279 12.381 ( -0.893 -6.738 -1.891) 7.056 12.759 ( 0.298 3.323 -2.337) 4.073 12.840 ( -0.950 -4.800 -3.646) 6.102 ======================= Grid point 280 (153/205) ======================= q-point: ( 0.11 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.302 ( 2.817 7.857 6.298) 10.456 3.319 ( 5.560 7.095 6.498) 11.112 3.610 ( 3.445 4.022 3.408) 6.297 3.665 ( 1.931 1.091 3.027) 3.752 3.805 ( 3.555 2.383 0.999) 4.395 3.928 ( 1.525 -6.191 0.061) 6.376 4.202 ( -0.998 -0.059 -1.915) 2.160 4.247 ( 0.240 -3.848 -0.371) 3.873 4.616 ( -7.488 4.677 2.597) 9.203 4.690 ( -7.795 -3.962 -1.702) 8.908 5.049 ( 8.114 6.717 0.911) 10.573 5.151 ( 7.220 -3.294 -0.464) 7.949 6.196 ( -5.638 1.405 2.854) 6.474 6.274 ( -2.655 -6.588 1.821) 7.333 6.833 ( -5.328 9.103 11.085) 15.301 6.988 ( -3.085 -6.679 6.803) 10.021 7.478 ( -1.910 6.172 2.137) 6.805 7.546 ( -2.113 -1.155 2.491) 3.464 7.724 ( 2.398 0.401 2.681) 3.619 7.822 ( 2.490 -8.805 2.565) 9.503 8.033 ( 3.786 6.522 -5.695) 9.450 8.165 ( 2.978 -6.648 -5.628) 9.206 9.331 ( 1.598 4.226 -1.914) 4.906 9.392 ( 2.166 -1.991 -3.974) 4.945 9.957 ( -0.098 2.749 0.485) 2.794 10.009 ( -0.933 -2.664 0.940) 2.975 10.165 ( 1.247 4.729 -1.075) 5.008 10.264 ( 3.422 -5.670 -2.097) 6.946 10.561 ( -2.567 4.413 2.078) 5.512 10.624 ( -2.838 -1.712 1.357) 3.582 11.030 ( 1.249 7.801 -0.251) 7.905 11.168 ( 2.714 -6.235 -1.859) 7.049 12.249 ( 0.214 6.131 1.669) 6.358 12.361 ( 0.423 -5.111 -1.934) 5.481 12.745 ( -0.187 1.604 -1.321) 2.087 12.799 ( -0.582 -3.739 -2.624) 4.605 ======================= Grid point 281 (154/205) ======================= q-point: ( 0.22 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.404 ( 4.005 6.815 3.616) 8.693 3.464 ( 5.182 1.288 3.812) 6.561 3.650 ( 2.303 8.463 -2.453) 9.107 3.738 ( 1.125 0.273 4.009) 4.172 3.855 ( 0.280 1.088 0.431) 1.203 3.933 ( 0.975 -5.651 -5.658) 8.056 4.182 ( -1.495 3.620 2.122) 4.455 4.278 ( 1.956 -5.160 1.488) 5.716 4.475 ( -7.542 2.361 -2.145) 8.189 4.546 ( -4.252 -4.883 -4.565) 7.922 5.176 ( 4.432 7.575 1.509) 8.905 5.289 ( 6.234 -3.299 1.498) 7.210 6.129 ( -3.597 3.485 3.493) 6.106 6.250 ( -0.874 -8.555 1.062) 8.665 6.836 ( -3.662 10.105 11.712) 15.896 6.986 ( -2.861 -4.953 6.876) 8.944 7.450 ( -2.911 5.578 2.624) 6.817 7.524 ( -2.331 -1.972 2.976) 4.264 7.791 ( 2.077 -0.047 2.332) 3.123 7.871 ( 0.265 -7.724 2.855) 8.239 8.075 ( 5.255 6.251 -4.958) 9.553 8.200 ( 5.139 -6.423 -4.987) 9.620 9.338 ( 1.233 3.952 -3.255) 5.266 9.395 ( 1.717 -1.852 -4.612) 5.258 9.947 ( -0.736 2.023 -0.847) 2.313 9.985 ( -1.745 -2.101 -0.164) 2.736 10.187 ( 1.708 6.119 -1.387) 6.503 10.296 ( 1.540 -4.956 -3.004) 5.997 10.530 ( -2.179 2.499 2.603) 4.215 10.578 ( -2.792 -1.757 1.091) 3.475 11.039 ( 0.445 8.538 -1.658) 8.709 11.180 ( 0.791 -5.953 -3.354) 6.878 12.277 ( 0.893 5.365 2.433) 5.958 12.368 ( 1.833 -3.578 -1.790) 4.401 12.737 ( 0.137 0.215 -0.248) 0.356 12.778 ( -0.235 -3.796 -1.031) 3.941 ======================= Grid point 282 (155/205) ======================= q-point: ( 0.33 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.484 ( 0.975 6.228 1.701) 6.529 3.564 ( 3.384 -0.977 0.848) 3.622 3.683 ( 3.454 6.643 -3.216) 8.149 3.738 ( -5.116 1.464 6.471) 8.378 3.830 ( -1.483 1.093 -2.903) 3.438 3.890 ( 1.142 -4.762 -8.070) 9.440 4.131 ( -6.054 2.497 0.137) 6.550 4.219 ( -9.240 -5.640 -1.458) 10.923 4.412 ( 4.172 2.936 -2.038) 5.493 4.492 ( 2.510 -4.664 -5.139) 7.380 5.251 ( 1.880 7.837 3.404) 8.749 5.381 ( 2.203 -5.031 1.673) 5.741 6.130 ( 0.551 4.653 3.682) 5.959 6.263 ( 1.460 -8.626 0.574) 8.767 6.879 ( -1.687 9.015 11.441) 14.663 6.980 ( -4.165 -0.960 7.586) 8.707 7.420 ( -2.578 5.974 3.295) 7.294 7.515 ( -1.271 -2.679 3.464) 4.559 7.826 ( 0.406 -1.749 0.810) 1.970 7.875 ( -1.900 -6.611 2.235) 7.232 8.142 ( 5.108 6.014 -3.797) 8.756 8.263 ( 4.870 -6.359 -4.043) 8.973 9.324 ( 0.217 4.087 -3.831) 5.606 9.387 ( 1.377 -2.285 -4.515) 5.244 9.920 ( -0.879 1.664 -1.714) 2.546 9.950 ( -1.290 -1.471 -1.110) 2.250 10.196 ( 0.663 5.542 -2.144) 5.979 10.273 ( -0.965 -1.823 -3.035) 3.670 10.526 ( -0.862 -0.249 2.714) 2.858 10.546 ( -1.353 -1.658 0.676) 2.245 11.024 ( -0.107 8.058 -2.662) 8.487 11.150 ( -0.536 -4.789 -4.364) 6.501 12.314 ( 0.713 5.609 2.818) 6.317 12.399 ( 2.826 -2.533 -1.461) 4.067 12.750 ( 1.072 -1.897 0.615) 2.264 12.771 ( -0.120 -3.691 0.065) 3.693 ======================= Grid point 283 (156/205) ======================= q-point: (-0.56 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.426 ( -7.150 8.816 -0.174) 11.352 3.572 ( -2.133 -5.335 -4.137) 7.080 3.663 ( -8.700 2.201 2.518) 9.321 3.683 ( -7.116 1.368 3.985) 8.269 3.776 ( 3.431 5.825 -6.836) 9.614 3.869 ( 0.075 -4.021 -3.555) 5.368 4.004 ( -2.317 2.011 0.246) 3.078 4.102 ( -0.840 -7.141 -1.098) 7.273 4.488 ( 5.310 1.506 -3.389) 6.477 4.525 ( 4.910 -2.113 -5.890) 7.954 5.304 ( 0.361 6.099 4.633) 7.668 5.403 ( -1.221 -3.762 1.966) 4.417 6.189 ( 2.260 3.956 3.261) 5.603 6.304 ( 2.467 -7.587 -0.035) 7.978 6.922 ( -5.275 6.352 11.333) 14.022 6.956 ( -3.242 1.934 7.814) 8.678 7.409 ( -1.805 7.491 4.030) 8.695 7.528 ( -0.434 -2.795 3.357) 4.390 7.822 ( -1.134 -3.147 -0.034) 3.345 7.841 ( -2.537 -5.904 0.423) 6.440 8.189 ( 2.563 5.587 -3.101) 6.885 8.305 ( 2.535 -6.217 -3.498) 7.570 9.293 ( -0.493 5.064 -2.813) 5.814 9.379 ( 1.134 -3.543 -3.473) 5.089 9.897 ( -0.060 1.573 -1.413) 2.115 9.925 ( -0.250 -1.178 -1.625) 2.023 10.183 ( 0.394 4.515 -3.082) 5.481 10.235 ( -0.412 -0.329 -2.514) 2.568 10.530 ( -0.650 -1.320 1.249) 1.930 10.532 ( -0.908 -0.988 1.312) 1.876 10.997 ( -0.310 6.882 -2.906) 7.477 11.101 ( -0.816 -3.611 -4.434) 5.776 12.341 ( -0.224 6.845 2.581) 7.319 12.444 ( 2.969 -2.675 -1.244) 4.185 12.760 ( -0.714 -2.137 1.146) 2.528 12.797 ( 2.697 -4.946 0.085) 5.634 ======================= Grid point 284 (157/205) ======================= q-point: (-0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.266 ( -9.540 11.192 1.412) 14.774 3.413 ( -14.931 9.151 0.816) 17.532 3.453 ( -5.162 -7.663 -5.395) 10.699 3.571 ( -8.584 -6.430 4.824) 11.760 3.806 ( 0.538 2.386 -0.936) 2.619 3.839 ( -1.075 -1.201 3.465) 3.822 4.083 ( 7.036 0.494 0.558) 7.075 4.144 ( 5.552 -5.170 -2.005) 7.847 4.548 ( 4.997 1.392 -5.661) 7.678 4.568 ( 5.253 -0.537 -7.645) 9.291 5.324 ( -2.538 3.862 4.273) 6.294 5.373 ( -3.290 -1.101 2.056) 4.033 6.254 ( 2.251 2.919 2.435) 4.418 6.346 ( 2.388 -6.161 -1.134) 6.704 6.872 ( -8.450 8.132 12.398) 17.066 6.972 ( -3.190 -2.212 8.635) 9.467 7.404 ( -2.282 8.572 3.831) 9.663 7.542 ( -1.030 -3.470 3.412) 4.975 7.779 ( -3.091 -2.940 0.560) 4.303 7.807 ( -0.733 -5.134 -1.796) 5.488 8.185 ( -0.422 5.495 -2.904) 6.230 8.300 ( -0.010 -6.340 -3.238) 7.119 9.271 ( -0.142 5.988 -1.017) 6.075 9.375 ( 0.976 -4.358 -2.611) 5.173 9.898 ( 0.901 0.448 -0.687) 1.219 9.912 ( 0.317 -0.673 -2.128) 2.254 10.171 ( 1.130 4.424 -3.106) 5.522 10.227 ( 1.651 -0.691 -2.371) 2.971 10.517 ( -0.622 0.055 -0.192) 0.653 10.538 ( -0.655 -1.348 3.129) 3.469 10.969 ( -0.407 5.747 -2.504) 6.283 11.054 ( -0.673 -2.818 -3.834) 4.805 12.344 ( -1.253 8.093 1.926) 8.413 12.483 ( 2.012 -4.684 -1.347) 5.273 12.756 ( -0.447 1.094 0.738) 1.393 12.852 ( 3.092 -7.528 -0.522) 8.155 ======================= Grid point 285 (158/205) ======================= q-point: (-0.33 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.116 ( -9.443 12.781 6.329) 17.104 3.191 ( -10.626 15.752 5.633) 19.818 3.342 ( -4.379 -9.912 1.322) 10.917 3.466 ( -6.158 -12.050 4.517) 14.266 3.797 ( -1.331 3.089 2.211) 4.025 3.855 ( -0.559 -2.187 2.599) 3.443 4.212 ( 5.406 -0.123 0.700) 5.452 4.244 ( 5.944 -3.108 -1.625) 6.902 4.591 ( 4.932 1.986 -6.693) 8.547 4.604 ( 5.595 0.607 -8.407) 10.117 5.258 ( -6.768 4.838 2.148) 8.592 5.324 ( -4.574 -2.089 2.684) 5.700 6.307 ( 1.884 1.806 1.010) 2.799 6.370 ( 1.461 -4.145 -2.201) 4.915 6.822 ( -7.636 8.750 13.802) 18.038 6.970 ( -4.900 -5.856 10.410) 12.911 7.391 ( -1.586 8.733 3.100) 9.402 7.543 ( -1.745 -5.205 3.979) 6.780 7.733 ( -2.041 -1.203 0.150) 2.373 7.778 ( -1.310 -4.779 -0.976) 5.050 8.138 ( -1.781 6.029 -3.069) 6.995 8.264 ( -0.921 -6.852 -3.131) 7.589 9.269 ( 0.277 5.957 -0.241) 5.968 9.371 ( 0.794 -4.118 -2.837) 5.063 9.902 ( 0.643 0.147 -2.416) 2.505 9.913 ( 1.084 -1.447 -0.460) 1.866 10.177 ( 1.449 5.020 -2.101) 5.632 10.252 ( 2.485 -2.251 -1.968) 3.888 10.512 ( -0.201 2.342 1.321) 2.696 10.561 ( 0.483 -1.898 3.302) 3.839 10.945 ( -0.345 5.086 -1.720) 5.380 11.020 ( -0.060 -2.468 -2.815) 3.744 12.326 ( -1.939 8.712 1.198) 9.005 12.492 ( 0.114 -7.510 -1.568) 7.672 12.758 ( 0.507 4.687 -0.370) 4.729 12.895 ( 2.305 -8.769 -1.729) 9.230 ======================= Grid point 286 (159/205) ======================= q-point: (-0.22 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.025 ( -6.915 17.977 10.469) 21.923 3.119 ( -4.384 15.999 10.371) 19.564 3.318 ( -2.113 -11.163 7.510) 13.619 3.425 ( -2.067 -14.067 5.227) 15.148 3.798 ( -0.689 3.246 3.063) 4.516 3.854 ( -1.076 -1.743 1.337) 2.446 4.279 ( 1.457 0.246 -0.192) 1.490 4.315 ( 2.466 -3.292 -1.121) 4.263 4.636 ( 4.846 4.085 -4.488) 7.766 4.655 ( 6.522 1.478 -7.298) 9.899 5.129 ( -7.675 5.568 0.367) 9.489 5.232 ( -7.050 -4.642 1.876) 8.647 6.335 ( 0.590 0.566 -0.083) 0.822 6.366 ( -0.191 -2.092 -1.672) 2.685 6.810 ( -5.202 7.419 13.608) 16.349 6.961 ( -5.174 -7.296 11.933) 14.914 7.405 ( 0.722 8.329 2.565) 8.745 7.549 ( -0.897 -4.836 3.998) 6.339 7.702 ( -1.713 -1.145 0.785) 2.205 7.744 ( -1.787 -4.778 0.052) 5.102 8.081 ( -1.232 7.095 -3.753) 8.120 8.226 ( -0.317 -7.682 -3.433) 8.420 9.275 ( 0.586 5.257 -0.253) 5.296 9.363 ( 1.032 -3.439 -3.200) 4.809 9.901 ( 1.183 1.052 -2.017) 2.564 9.933 ( 1.402 -2.598 -0.129) 2.955 10.182 ( 0.302 4.877 -0.992) 4.986 10.269 ( 0.517 -3.879 -1.625) 4.238 10.534 ( 0.807 4.515 2.480) 5.214 10.604 ( 1.239 -2.312 3.146) 4.096 10.935 ( 0.382 5.245 -0.527) 5.286 11.015 ( 1.482 -2.852 -1.455) 3.528 12.295 ( -2.124 8.646 0.688) 8.930 12.465 ( -1.410 -8.681 -1.718) 8.961 12.766 ( 1.098 6.003 -1.721) 6.341 12.907 ( 0.880 -8.362 -2.988) 8.923 ======================= Grid point 287 (160/205) ======================= q-point: (-0.11 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.036 ( -0.748 19.490 10.611) 22.204 3.156 ( -1.884 12.961 12.045) 17.794 3.375 ( 1.117 -7.955 9.266) 12.263 3.470 ( 1.404 -12.837 7.221) 14.795 3.808 ( -0.924 3.612 0.538) 3.767 3.848 ( -0.024 -0.991 2.366) 2.565 4.272 ( -1.058 0.144 -1.187) 1.596 4.317 ( -0.700 -4.213 -1.947) 4.694 4.699 ( 1.715 7.997 3.045) 8.727 4.736 ( 7.777 2.467 -5.071) 9.606 4.992 ( -6.014 2.955 -2.269) 7.074 5.107 ( -6.175 -6.782 -0.144) 9.173 6.325 ( -1.891 -0.234 0.579) 1.992 6.342 ( -1.706 -1.862 0.406) 2.558 6.831 ( -3.754 6.489 12.082) 14.218 6.969 ( -3.674 -7.241 11.039) 13.704 7.448 ( 1.420 7.950 2.376) 8.418 7.564 ( -0.744 -2.014 2.870) 3.584 7.683 ( -1.509 -1.970 1.940) 3.149 7.722 ( -0.284 -6.632 0.597) 6.665 8.038 ( 0.373 7.949 -4.901) 9.345 8.197 ( 0.418 -8.249 -4.364) 9.342 9.288 ( 1.127 4.717 -0.229) 4.855 9.364 ( 1.810 -2.781 -3.154) 4.578 9.916 ( 1.578 2.083 -0.801) 2.733 9.965 ( 1.723 -3.094 0.753) 3.621 10.174 ( -0.376 3.644 -0.539) 3.703 10.249 ( -1.023 -4.019 -1.412) 4.381 10.567 ( 0.419 5.243 2.361) 5.765 10.644 ( 0.383 -2.287 2.394) 3.333 10.955 ( 1.633 5.851 0.788) 6.125 11.052 ( 3.165 -3.957 -0.500) 5.092 12.263 ( -1.710 8.063 0.597) 8.264 12.421 ( -1.673 -8.111 -1.816) 8.478 12.768 ( 0.877 5.122 -2.532) 5.780 12.883 ( -0.421 -6.710 -3.741) 7.694 ======================= Grid point 324 (161/205) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 5.770 0.000 21.098) 21.873 2.603 ( -4.459 0.000 18.405) 18.937 2.970 ( -4.895 0.000 -12.933) 13.828 3.021 ( 2.512 0.000 -11.892) 12.154 4.074 ( -4.420 0.000 5.073) 6.729 4.166 ( 1.335 0.000 3.310) 3.569 4.260 ( -2.945 0.000 16.514) 16.775 4.406 ( 6.624 0.000 -1.944) 6.903 4.419 ( -1.050 0.000 -1.832) 2.112 4.562 ( 2.759 0.000 -5.896) 6.509 5.161 ( 1.217 0.000 0.533) 1.328 5.175 ( -3.002 0.000 -0.998) 3.164 6.591 ( -5.871 0.000 10.011) 11.606 6.658 ( -6.020 0.000 3.039) 6.743 6.832 ( -2.252 0.000 -2.524) 3.383 6.973 ( 9.212 0.000 -13.814) 16.604 7.182 ( 5.386 0.000 -2.209) 5.822 7.193 ( -2.831 0.000 -2.431) 3.732 7.791 ( -4.321 0.000 11.095) 11.907 7.956 ( 2.694 0.000 -4.076) 4.886 8.357 ( 2.930 0.000 3.314) 4.424 8.409 ( -2.342 0.000 -1.669) 2.876 9.163 ( 0.690 0.000 3.275) 3.346 9.278 ( 0.852 0.000 -7.033) 7.085 9.797 ( -0.962 0.000 -0.352) 1.025 9.807 ( 1.013 0.000 -0.873) 1.338 10.161 ( -3.682 0.000 1.873) 4.131 10.196 ( 4.392 0.000 -1.550) 4.657 10.563 ( -0.850 0.000 3.365) 3.471 10.624 ( -0.246 0.000 -2.694) 2.705 10.877 ( -8.895 0.000 9.150) 12.761 11.074 ( 12.694 0.000 -10.298) 16.346 12.206 ( 2.143 0.000 5.627) 6.021 12.326 ( -0.525 0.000 -5.998) 6.021 12.913 ( 1.058 0.000 1.501) 1.836 12.941 ( -5.466 0.000 -1.220) 5.601 ======================= Grid point 325 (162/205) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( 6.415 0.000 4.085) 7.605 2.849 ( 13.168 0.000 5.923) 14.439 2.926 ( 6.387 0.000 -2.882) 7.007 3.081 ( 13.502 0.000 -1.802) 13.621 4.020 ( -5.963 0.000 6.015) 8.470 4.174 ( -6.794 0.000 2.851) 7.368 4.236 ( -0.583 0.000 -0.749) 0.949 4.456 ( 0.680 0.000 5.902) 5.941 4.461 ( 0.269 0.000 -3.397) 3.408 4.552 ( 5.141 0.000 -11.679) 12.760 5.103 ( -4.485 0.000 0.350) 4.498 5.179 ( -0.141 0.000 2.831) 2.835 6.540 ( -8.870 0.000 3.855) 9.671 6.563 ( -7.732 0.000 17.018) 18.692 6.729 ( -7.612 0.000 -0.710) 7.645 7.034 ( 8.392 0.000 -13.017) 15.488 7.156 ( 1.853 0.000 -5.443) 5.749 7.276 ( 4.913 0.000 0.351) 4.925 7.794 ( -4.547 0.000 10.578) 11.514 8.000 ( 6.150 0.000 -6.141) 8.691 8.363 ( -0.294 0.000 -2.497) 2.514 8.431 ( 2.265 0.000 2.226) 3.176 9.194 ( -0.489 0.000 3.814) 3.845 9.233 ( 0.436 0.000 -7.763) 7.775 9.787 ( 0.028 0.000 -0.066) 0.072 9.826 ( 1.409 0.000 -0.005) 1.409 10.103 ( -3.374 0.000 0.710) 3.448 10.259 ( 3.424 0.000 -2.112) 4.023 10.594 ( 0.843 0.000 3.752) 3.846 10.618 ( 1.106 0.000 -1.109) 1.566 10.713 ( -13.726 0.000 5.326) 14.723 11.134 ( 3.528 0.000 -12.063) 12.568 12.274 ( 0.641 0.000 -6.579) 6.610 12.283 ( 1.158 0.000 3.890) 4.059 12.895 ( 0.471 0.000 2.197) 2.247 12.981 ( 3.028 0.000 4.950) 5.803 ======================= Grid point 326 (163/205) ======================= q-point: ( 0.22 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.919 ( 17.669 0.000 -8.759) 19.721 3.030 ( 11.658 0.000 -9.209) 14.856 3.090 ( 7.975 0.000 5.653) 9.775 3.478 ( 19.589 0.000 9.322) 21.694 3.950 ( -7.025 0.000 7.340) 10.161 3.981 ( -14.503 0.000 3.393) 14.894 4.257 ( 4.609 0.000 -7.179) 8.531 4.393 ( 0.190 0.000 -10.337) 10.339 4.475 ( -1.636 0.000 1.480) 2.206 4.565 ( 2.500 0.000 -6.560) 7.021 5.022 ( -3.711 0.000 -0.261) 3.720 5.220 ( 1.274 0.000 5.071) 5.229 6.409 ( -8.413 0.000 4.860) 9.716 6.540 ( -11.028 0.000 6.225) 12.663 6.591 ( -6.534 0.000 16.314) 17.574 7.077 ( 6.583 0.000 -11.889) 13.590 7.154 ( 2.717 0.000 -7.354) 7.840 7.348 ( 1.684 0.000 0.942) 1.930 7.791 ( -4.754 0.000 11.588) 12.525 8.073 ( 7.667 0.000 -9.535) 12.235 8.371 ( 2.980 0.000 -2.016) 3.598 8.475 ( 1.009 0.000 2.037) 2.273 9.173 ( 0.265 0.000 -8.806) 8.810 9.196 ( -2.368 0.000 2.875) 3.725 9.796 ( 0.801 0.000 0.191) 0.824 9.855 ( 1.294 0.000 0.729) 1.485 10.054 ( -2.425 0.000 0.889) 2.583 10.279 ( 0.904 0.000 -2.934) 3.070 10.465 ( -13.722 0.000 3.647) 14.199 10.643 ( 1.089 0.000 3.400) 3.570 10.678 ( 4.049 0.000 -0.360) 4.065 11.046 ( -1.944 0.000 -12.172) 12.326 12.252 ( 2.237 0.000 -5.912) 6.321 12.301 ( -1.986 0.000 3.664) 4.167 12.976 ( 5.525 0.000 2.178) 5.938 13.085 ( 2.413 0.000 7.565) 7.940 ======================= Grid point 327 (164/205) ======================= q-point: ( 0.33 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.174 ( 17.806 0.000 -16.480) 24.262 3.178 ( 11.120 0.000 -7.979) 13.686 3.265 ( 4.940 0.000 8.216) 9.587 3.678 ( -17.691 0.000 6.948) 19.007 3.876 ( 13.738 0.000 1.328) 13.802 3.891 ( -5.132 0.000 8.941) 10.309 4.281 ( 4.072 0.000 -8.408) 9.342 4.345 ( 2.152 0.000 -7.282) 7.593 4.442 ( -1.948 0.000 0.099) 1.951 4.514 ( -4.403 0.000 -2.246) 4.943 4.999 ( 3.697 0.000 -3.329) 4.975 5.274 ( -1.046 0.000 4.083) 4.215 6.318 ( -5.438 0.000 5.437) 7.690 6.380 ( -8.363 0.000 5.753) 10.151 6.646 ( -3.748 0.000 18.733) 19.105 7.091 ( 5.272 0.000 -12.468) 13.537 7.134 ( 1.573 0.000 -7.280) 7.448 7.336 ( -3.565 0.000 0.089) 3.566 7.808 ( -3.821 0.000 12.897) 13.451 8.119 ( 5.749 0.000 -11.066) 12.470 8.430 ( 3.996 0.000 -0.687) 4.054 8.509 ( 0.842 0.000 2.091) 2.254 9.113 ( 1.134 0.000 -9.173) 9.243 9.144 ( -4.350 0.000 0.250) 4.357 9.821 ( 1.531 0.000 0.538) 1.623 9.879 ( 0.578 0.000 0.555) 0.801 10.030 ( -1.492 0.000 2.567) 2.969 10.262 ( -0.563 0.000 -0.535) 0.776 10.286 ( -7.536 0.000 1.951) 7.785 10.671 ( -0.529 0.000 0.559) 0.770 10.756 ( 3.941 0.000 0.087) 3.942 10.904 ( -2.851 0.000 -9.844) 10.248 12.261 ( 3.163 0.000 -4.885) 5.819 12.280 ( -3.341 0.000 4.069) 5.265 13.108 ( 6.967 0.000 0.599) 6.993 13.172 ( 0.061 0.000 8.030) 8.030 ======================= Grid point 328 (165/205) ======================= q-point: (-0.56 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.260 ( -1.393 0.000 0.226) 1.411 3.273 ( -2.709 0.000 -1.003) 2.889 3.400 ( -9.779 0.000 4.061) 10.588 3.407 ( 10.969 0.000 -9.877) 14.761 3.932 ( 0.587 0.000 11.306) 11.321 4.096 ( 8.289 0.000 -0.898) 8.338 4.268 ( 1.965 0.000 -7.895) 8.136 4.306 ( -4.467 0.000 -3.407) 5.618 4.416 ( -1.164 0.000 0.677) 1.347 4.421 ( -1.930 0.000 0.485) 1.990 5.106 ( 9.737 0.000 -3.721) 10.423 5.190 ( -11.607 0.000 4.958) 12.622 6.295 ( -1.161 0.000 4.559) 4.704 6.351 ( 1.244 0.000 1.944) 2.308 6.737 ( -1.568 0.000 16.314) 16.389 7.085 ( 5.238 0.000 -13.825) 14.784 7.124 ( 3.221 0.000 -4.367) 5.426 7.223 ( -7.611 0.000 -1.028) 7.681 7.838 ( -4.539 0.000 13.985) 14.703 8.114 ( 2.520 0.000 -9.572) 9.898 8.493 ( 2.532 0.000 0.539) 2.589 8.527 ( -0.896 0.000 1.577) 1.814 9.062 ( -2.984 0.000 -2.041) 3.615 9.085 ( 3.400 0.000 -8.242) 8.916 9.855 ( 1.610 0.000 0.276) 1.633 9.882 ( -0.482 0.000 -0.116) 0.496 10.041 ( -0.482 0.000 4.775) 4.799 10.198 ( -2.065 0.000 -3.158) 3.773 10.280 ( 0.135 0.000 7.493) 7.494 10.604 ( -3.035 0.000 -8.005) 8.561 10.813 ( 2.125 0.000 -0.285) 2.144 10.825 ( -1.146 0.000 -1.650) 2.009 12.245 ( -3.851 0.000 4.256) 5.739 12.289 ( 3.483 0.000 -4.050) 5.342 13.205 ( -2.581 0.000 6.393) 6.894 13.233 ( 6.649 0.000 -1.665) 6.854 ======================= Grid point 329 (166/205) ======================= q-point: (-0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.039 ( -19.985 0.000 13.841) 24.310 3.154 ( -12.836 0.000 8.842) 15.586 3.414 ( 2.761 0.000 -2.994) 4.073 3.554 ( 13.743 0.000 -9.772) 16.863 4.021 ( -1.768 0.000 8.038) 8.230 4.108 ( -4.023 0.000 -3.397) 5.265 4.170 ( -5.897 0.000 -0.204) 5.901 4.283 ( 2.037 0.000 -2.458) 3.193 4.412 ( 0.425 0.000 1.131) 1.208 4.429 ( 1.288 0.000 -0.309) 1.324 4.996 ( -11.011 0.000 6.084) 12.580 5.253 ( 6.645 0.000 -0.842) 6.698 6.345 ( 3.926 0.000 1.418) 4.175 6.408 ( 5.244 0.000 -4.747) 7.073 6.817 ( -1.947 0.000 12.029) 12.186 7.041 ( -1.978 0.000 -9.917) 10.113 7.104 ( 0.733 0.000 -5.588) 5.636 7.209 ( 7.232 0.000 -0.093) 7.233 7.848 ( -6.845 0.000 15.239) 16.706 8.071 ( 0.158 0.000 -7.334) 7.336 8.491 ( -4.281 0.000 1.662) 4.592 8.525 ( 0.236 0.000 0.944) 0.973 9.016 ( 0.271 0.000 -3.064) 3.076 9.116 ( 5.987 0.000 -6.296) 8.688 9.864 ( -1.130 0.000 -0.435) 1.211 9.878 ( 0.659 0.000 -0.117) 0.670 10.084 ( 0.453 0.000 6.167) 6.184 10.146 ( -0.271 0.000 -4.823) 4.831 10.389 ( 3.311 0.000 11.290) 11.765 10.483 ( -1.162 0.000 -10.254) 10.319 10.796 ( -2.347 0.000 1.097) 2.591 10.829 ( -0.006 0.000 -0.655) 0.655 12.204 ( -4.081 0.000 4.396) 5.998 12.324 ( 3.393 0.000 -3.596) 4.944 13.178 ( -4.485 0.000 3.751) 5.847 13.319 ( 4.951 0.000 -4.653) 6.794 ======================= Grid point 330 (167/205) ======================= q-point: (-0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( -21.362 0.000 19.918) 29.207 2.951 ( -17.739 0.000 13.859) 22.511 3.387 ( -2.920 0.000 -3.993) 4.947 3.761 ( 11.565 0.000 -1.852) 11.712 3.933 ( -6.449 0.000 -3.819) 7.495 4.000 ( -6.676 0.000 5.883) 8.898 4.131 ( -2.658 0.000 5.324) 5.950 4.233 ( -4.358 0.000 -1.512) 4.613 4.447 ( 0.584 0.000 3.522) 3.570 4.450 ( 1.288 0.000 -0.303) 1.323 4.942 ( 1.634 0.000 1.620) 2.301 5.312 ( 0.113 0.000 0.225) 0.252 6.458 ( 7.987 0.000 -1.672) 8.161 6.466 ( 6.530 0.000 -8.066) 10.378 6.866 ( -1.524 0.000 9.412) 9.535 6.943 ( -1.000 0.000 -5.288) 5.382 7.101 ( 3.977 0.000 -8.974) 9.816 7.335 ( 4.789 0.000 0.077) 4.790 7.825 ( -8.735 0.000 16.590) 18.748 8.016 ( -0.212 0.000 -5.921) 5.925 8.404 ( -6.237 0.000 2.306) 6.649 8.520 ( -1.223 0.000 0.566) 1.348 9.021 ( 2.252 0.000 -2.007) 3.016 9.201 ( 7.242 0.000 -4.678) 8.622 9.837 ( -1.039 0.000 -0.945) 1.405 9.878 ( -0.403 0.000 -0.235) 0.466 10.113 ( 0.737 0.000 -4.623) 4.681 10.146 ( 0.368 0.000 6.686) 6.696 10.435 ( 4.756 0.000 -8.262) 9.533 10.558 ( 4.841 0.000 10.802) 11.838 10.744 ( -4.270 0.000 1.231) 4.444 10.809 ( -1.518 0.000 0.162) 1.527 12.164 ( -3.931 0.000 4.753) 6.168 12.357 ( 2.977 0.000 -3.480) 4.579 13.104 ( -5.362 0.000 1.174) 5.489 13.333 ( 1.433 0.000 -7.658) 7.791 ======================= Grid point 331 (168/205) ======================= q-point: (-0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( -21.741 0.000 22.200) 31.073 2.740 ( -17.595 0.000 18.153) 25.281 3.263 ( -5.214 0.000 -6.295) 8.174 3.635 ( -15.631 0.000 -5.117) 16.447 3.986 ( -6.566 0.000 22.171) 23.123 4.044 ( 14.266 0.000 -3.218) 14.624 4.119 ( -2.888 0.000 5.281) 6.019 4.160 ( 0.552 0.000 -5.847) 5.873 4.476 ( -0.214 0.000 2.537) 2.546 4.479 ( 1.908 0.000 0.640) 2.013 5.026 ( 5.623 0.000 -0.627) 5.658 5.284 ( -2.005 0.000 -1.195) 2.334 6.530 ( 6.503 0.000 -6.626) 9.285 6.597 ( 7.583 0.000 -1.302) 7.694 6.898 ( -1.806 0.000 5.583) 5.867 6.915 ( 2.394 0.000 -6.631) 7.050 7.105 ( 3.689 0.000 -7.958) 8.771 7.362 ( -1.636 0.000 -0.699) 1.780 7.795 ( -8.079 0.000 16.586) 18.449 7.978 ( 0.847 0.000 -5.283) 5.350 8.316 ( -4.978 0.000 3.450) 6.057 8.495 ( -1.604 0.000 0.077) 1.606 9.062 ( 2.674 0.000 0.323) 2.694 9.285 ( 5.276 0.000 -5.172) 7.389 9.814 ( -0.402 0.000 -1.400) 1.457 9.859 ( -1.304 0.000 -0.489) 1.392 10.105 ( 2.017 0.000 -3.501) 4.040 10.188 ( -1.007 0.000 5.647) 5.736 10.559 ( 14.011 0.000 -5.188) 14.940 10.662 ( -5.138 0.000 1.281) 5.295 10.683 ( 1.273 0.000 1.264) 1.794 10.814 ( -0.001 0.000 8.757) 8.757 12.138 ( -3.033 0.000 5.431) 6.221 12.377 ( 2.078 0.000 -3.662) 4.210 13.006 ( -4.969 0.000 -0.631) 5.009 13.250 ( -3.356 0.000 -8.687) 9.313 ======================= Grid point 332 (169/205) ======================= q-point: (-0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( -11.737 0.000 23.243) 26.038 2.606 ( -12.545 0.000 20.675) 24.183 3.118 ( -3.017 0.000 -9.888) 10.338 3.268 ( -15.156 0.000 -11.087) 18.778 4.083 ( -5.699 0.000 28.783) 29.342 4.105 ( -3.136 0.000 4.978) 5.884 4.169 ( 5.422 0.000 -6.084) 8.149 4.261 ( 10.959 0.000 -2.631) 11.270 4.468 ( -1.703 0.000 -0.398) 1.749 4.529 ( 2.664 0.000 0.268) 2.677 5.114 ( 3.920 0.000 -0.437) 3.944 5.233 ( -2.046 0.000 -1.989) 2.854 6.590 ( 2.179 0.000 -0.270) 2.196 6.690 ( 1.204 0.000 1.742) 2.118 6.880 ( -2.556 0.000 0.874) 2.701 6.922 ( 6.296 0.000 -11.394) 13.018 7.123 ( 4.272 0.000 -5.737) 7.153 7.286 ( -5.042 0.000 -0.702) 5.090 7.786 ( -5.736 0.000 13.798) 14.943 7.958 ( 1.015 0.000 -4.394) 4.509 8.295 ( -0.203 0.000 4.075) 4.080 8.460 ( -2.059 0.000 -0.547) 2.131 9.117 ( 1.939 0.000 2.208) 2.938 9.306 ( 2.129 0.000 -6.473) 6.814 9.802 ( 0.370 0.000 -1.345) 1.395 9.826 ( -1.598 0.000 -0.610) 1.711 10.135 ( 3.499 0.000 -2.202) 4.134 10.197 ( -2.340 0.000 4.008) 4.641 10.584 ( -3.775 0.000 2.085) 4.313 10.661 ( -1.062 0.000 -2.879) 3.068 10.837 ( 18.413 0.000 -6.431) 19.504 10.895 ( -2.072 0.000 11.435) 11.621 12.145 ( -0.811 0.000 6.143) 6.196 12.370 ( 0.466 0.000 -4.497) 4.521 12.926 ( -2.582 0.000 -0.777) 2.696 13.091 ( -6.683 0.000 -6.070) 9.028 ======================= Grid point 333 (170/205) ======================= q-point: ( 0.00 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( 6.534 7.046 20.776) 22.891 2.717 ( -4.238 10.298 14.381) 18.188 3.026 ( -5.284 6.011 -11.635) 14.122 3.089 ( 2.743 6.575 -10.211) 12.451 4.043 ( -2.742 -2.456 6.560) 7.522 4.150 ( 1.885 -2.318 -2.204) 3.713 4.319 ( -6.420 5.585 16.791) 18.824 4.401 ( 0.163 -0.900 1.899) 2.108 4.407 ( 4.663 -0.733 -3.455) 5.850 4.595 ( 4.704 3.361 -4.961) 7.618 5.130 ( -1.497 -3.059 1.060) 3.567 5.162 ( -0.594 -1.501 -1.995) 2.566 6.533 ( -6.469 -4.801 7.946) 11.315 6.648 ( 1.853 -3.182 -0.896) 3.790 6.792 ( -6.598 -1.506 2.772) 7.314 6.995 ( 7.912 2.235 -12.767) 15.185 7.197 ( -3.174 3.204 3.035) 5.437 7.281 ( 3.829 6.253 -5.577) 9.212 7.799 ( -3.299 0.539 8.709) 9.328 7.931 ( 2.065 -2.590 -2.958) 4.441 8.322 ( 2.886 -3.610 3.468) 5.778 8.383 ( -2.205 -2.609 -2.450) 4.204 9.172 ( 0.124 0.935 3.007) 3.151 9.273 ( 1.451 -0.311 -6.168) 6.344 9.809 ( -0.421 1.625 0.873) 1.892 9.844 ( 0.674 3.148 -2.220) 3.911 10.191 ( -3.787 2.784 2.377) 5.267 10.236 ( 4.349 3.638 -2.098) 6.046 10.527 ( -1.698 -3.004 3.125) 4.655 10.585 ( 0.664 -3.599 -2.599) 4.489 10.906 ( -7.165 2.563 8.523) 11.426 11.086 ( 10.683 1.076 -9.098) 14.073 12.198 ( 1.265 -0.671 6.329) 6.489 12.333 ( -0.176 0.572 -6.934) 6.960 12.887 ( 0.008 -2.260 2.717) 3.534 12.940 ( -3.682 -0.563 -2.479) 4.475 ======================= Grid point 334 (171/205) ======================= q-point: ( 0.11 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( 5.606 5.939 -2.738) 8.614 2.914 ( 12.570 6.849 8.115) 16.455 2.990 ( 5.590 6.453 1.072) 8.605 3.154 ( 12.627 7.150 -2.798) 14.778 4.016 ( -4.890 -0.490 5.459) 7.345 4.143 ( -3.182 -3.088 0.123) 4.436 4.236 ( -4.905 0.316 -0.946) 5.005 4.438 ( 0.327 -1.398 0.074) 1.438 4.471 ( 0.286 0.826 5.770) 5.836 4.620 ( 5.063 6.184 -11.688) 14.159 5.055 ( -5.359 -4.596 1.638) 7.247 5.183 ( 1.185 0.115 2.016) 2.341 6.452 ( -8.084 -5.311 6.422) 11.610 6.644 ( -6.855 5.038 12.491) 15.112 6.696 ( -3.453 -4.226 -2.490) 5.999 7.029 ( 3.797 0.288 -8.671) 9.471 7.178 ( 1.914 3.273 -1.805) 4.199 7.323 ( 3.160 3.824 -2.644) 5.621 7.807 ( -3.011 1.024 8.156) 8.754 7.974 ( 5.513 -2.759 -4.736) 7.774 8.334 ( -0.169 -2.933 -2.831) 4.080 8.400 ( 2.538 -3.215 2.217) 4.658 9.187 ( -0.985 -0.244 2.631) 2.821 9.247 ( 1.031 1.222 -6.492) 6.686 9.806 ( -0.260 1.899 0.355) 1.949 9.857 ( 1.685 2.875 -0.863) 3.443 10.128 ( -3.863 2.338 1.278) 4.693 10.301 ( 3.826 3.955 -2.471) 6.032 10.503 ( -4.171 -5.547 3.095) 7.599 10.601 ( 2.613 -2.399 -1.104) 3.715 10.791 ( -9.342 5.405 5.235) 11.996 11.138 ( 3.417 0.484 -10.934) 11.466 12.261 ( 0.449 -0.921 1.612) 1.910 12.288 ( 1.118 0.292 -3.484) 3.671 12.879 ( -0.016 -1.686 1.731) 2.416 12.969 ( 3.152 -1.302 4.268) 5.463 ======================= Grid point 335 (172/205) ======================= q-point: ( 0.22 0.11 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( 15.725 1.138 -11.886) 19.745 3.119 ( 10.704 7.190 -3.745) 13.428 3.141 ( 7.435 5.121 2.394) 9.340 3.515 ( 18.137 3.756 8.189) 20.251 3.949 ( -7.299 -0.308 4.428) 8.543 3.992 ( -12.572 0.974 4.944) 13.544 4.198 ( 3.203 -3.950 -7.614) 9.156 4.420 ( -0.297 0.384 -3.101) 3.139 4.474 ( -2.121 0.016 0.147) 2.126 4.604 ( 1.678 3.994 -9.429) 10.376 4.982 ( -2.687 -3.466 0.637) 4.432 5.243 ( 2.498 2.142 4.446) 5.531 6.342 ( -7.773 -4.485 4.689) 10.125 6.586 ( -7.424 0.614 2.459) 7.845 6.641 ( -6.231 5.993 16.520) 18.646 7.022 ( 2.248 -3.194 -5.825) 7.013 7.208 ( 4.137 4.441 -8.333) 10.309 7.346 ( 0.113 -0.087 0.423) 0.446 7.817 ( -2.820 2.199 8.635) 9.347 8.046 ( 6.866 -2.903 -7.619) 10.659 8.342 ( 2.900 -2.873 -1.865) 4.488 8.450 ( 1.488 -2.764 1.432) 3.450 9.168 ( -1.454 -0.211 -2.140) 2.596 9.214 ( -0.270 1.620 -3.802) 4.142 9.809 ( 0.506 1.327 0.068) 1.422 9.884 ( 1.301 2.811 0.241) 3.107 10.076 ( -2.816 1.859 1.463) 3.678 10.325 ( 1.194 4.502 -3.418) 5.778 10.396 ( -9.446 -4.945 3.349) 11.176 10.648 ( 2.555 -2.248 -1.121) 3.583 10.718 ( -1.335 5.185 3.831) 6.584 11.063 ( -1.461 1.697 -11.018) 11.243 12.253 ( 2.068 0.187 -5.263) 5.658 12.299 ( -1.697 -0.170 3.738) 4.109 12.942 ( 4.700 -3.249 2.037) 6.066 13.069 ( 2.479 -1.895 6.541) 7.248 ======================= Grid point 336 (173/205) ======================= q-point: ( 0.33 0.11 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.133 ( 16.854 -0.547 -12.099) 20.754 3.250 ( 8.673 4.097 -9.494) 13.496 3.294 ( 4.981 2.786 4.280) 7.134 3.704 ( -16.326 2.607 5.733) 17.498 3.865 ( 10.896 -0.751 2.778) 11.270 3.902 ( -3.451 0.622 6.008) 6.957 4.210 ( 3.212 -4.381 -6.284) 8.307 4.398 ( 0.892 2.306 -4.090) 4.779 4.424 ( -2.662 -1.864 0.123) 3.252 4.517 ( -4.883 0.168 -4.129) 6.397 4.996 ( 5.163 0.433 -2.188) 5.624 5.313 ( 0.269 3.491 2.946) 4.576 6.268 ( -3.397 -2.477 5.032) 6.557 6.462 ( -7.478 4.787 3.845) 9.676 6.684 ( -4.153 4.379 18.321) 19.290 7.023 ( 3.005 -4.542 -6.559) 8.525 7.190 ( 1.875 4.074 -9.218) 10.252 7.324 ( -3.146 -0.805 0.081) 3.249 7.841 ( -2.345 2.808 9.441) 10.125 8.093 ( 5.094 -2.819 -9.208) 10.894 8.397 ( 2.967 -3.222 0.662) 4.430 8.487 ( 1.864 -2.434 0.303) 3.080 9.113 ( -1.262 0.330 -4.264) 4.459 9.166 ( -1.409 2.183 -4.389) 5.100 9.828 ( 1.354 0.680 0.346) 1.554 9.902 ( 0.187 2.279 0.419) 2.325 10.052 ( -1.409 1.706 2.764) 3.541 10.259 ( -7.415 -1.933 4.833) 9.059 10.310 ( 0.557 4.514 -3.888) 5.983 10.655 ( -0.460 -2.233 -2.730) 3.557 10.765 ( 2.165 1.830 2.598) 3.846 10.945 ( -1.928 3.551 -8.652) 9.549 12.263 ( 2.619 0.295 -3.817) 4.638 12.283 ( -2.702 0.376 3.341) 4.313 13.062 ( 6.242 -4.393 1.232) 7.732 13.149 ( 0.297 -2.732 6.582) 7.132 ======================= Grid point 337 (174/205) ======================= q-point: (-0.56 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.246 ( -5.920 -0.152 3.511) 6.884 3.304 ( 2.059 2.236 -4.204) 5.187 3.385 ( 7.093 0.087 -6.464) 9.597 3.454 ( -6.820 3.178 -0.670) 7.554 3.931 ( 0.237 -0.282 10.212) 10.218 4.065 ( 6.889 -3.039 -0.462) 7.543 4.190 ( -0.720 -4.997 -2.352) 5.570 4.338 ( -3.321 -0.005 -5.861) 6.737 4.411 ( 0.166 0.252 -0.201) 0.363 4.421 ( -1.310 -0.354 -1.155) 1.781 5.121 ( 7.998 2.098 -0.505) 8.284 5.253 ( -8.241 5.298 1.914) 9.982 6.297 ( 1.488 0.246 4.373) 4.626 6.394 ( -1.714 3.687 1.611) 4.373 6.764 ( -2.263 3.064 16.052) 16.497 7.036 ( 4.569 -3.660 -7.690) 9.665 7.164 ( 2.654 3.027 -6.283) 7.462 7.225 ( -6.106 1.050 -2.067) 6.531 7.867 ( -3.444 2.388 10.476) 11.283 8.091 ( 2.147 -2.507 -8.171) 8.812 8.446 ( 0.200 -4.164 3.414) 5.388 8.515 ( 1.337 -1.873 -1.449) 2.720 9.062 ( -1.630 0.585 -1.824) 2.515 9.116 ( 2.008 2.898 -7.883) 8.636 9.862 ( 1.750 0.583 0.340) 1.876 9.896 ( -0.808 1.383 -0.183) 1.612 10.068 ( -0.075 2.380 4.554) 5.139 10.193 ( -2.813 -0.960 1.431) 3.299 10.311 ( 0.799 3.759 2.319) 4.489 10.580 ( -2.452 -2.186 -8.187) 8.822 10.810 ( 0.211 1.099 2.575) 2.807 10.882 ( 0.160 4.044 -3.874) 5.602 12.248 ( -3.852 0.418 4.434) 5.888 12.295 ( 3.588 0.611 -4.159) 5.527 13.164 ( -0.562 -4.163 4.784) 6.367 13.193 ( 4.350 -4.152 -0.447) 6.030 ======================= Grid point 338 (175/205) ======================= q-point: (-0.44 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.062 ( -18.019 2.382 13.500) 22.641 3.154 ( -15.003 0.496 8.895) 17.449 3.418 ( 3.063 0.530 -4.186) 5.214 3.559 ( 13.045 0.519 -8.030) 15.327 3.996 ( -3.942 -3.070 5.875) 7.712 4.038 ( -3.854 -3.678 1.977) 5.682 4.220 ( -0.976 2.322 -4.795) 5.416 4.275 ( 4.365 -1.062 -1.824) 4.848 4.403 ( 0.342 -0.766 0.444) 0.949 4.426 ( 1.024 -0.359 -1.142) 1.575 5.057 ( -11.473 5.867 4.906) 13.789 5.277 ( 5.837 2.334 0.094) 6.287 6.346 ( 1.354 0.565 1.395) 2.024 6.427 ( 5.041 0.993 -2.988) 5.944 6.826 ( -2.697 1.019 11.224) 11.589 7.058 ( 2.793 1.164 -10.887) 11.300 7.096 ( -2.934 0.358 -0.097) 2.958 7.225 ( 6.590 2.045 -2.004) 7.185 7.870 ( -5.752 1.768 11.916) 13.349 8.054 ( 0.085 -1.890 -6.157) 6.442 8.441 ( -4.209 -4.465 4.164) 7.415 8.516 ( 0.244 -1.689 -1.609) 2.346 9.032 ( 0.181 1.673 -1.807) 2.469 9.129 ( 5.336 1.665 -6.684) 8.713 9.868 ( -1.349 0.505 -0.252) 1.462 9.896 ( 1.353 1.692 -0.519) 2.228 10.113 ( 0.541 2.779 5.772) 6.429 10.158 ( -0.508 0.400 -2.962) 3.032 10.388 ( 2.510 0.840 8.338) 8.748 10.473 ( -0.488 -0.937 -9.328) 9.388 10.813 ( -2.171 1.788 2.894) 4.036 10.865 ( 0.091 3.181 -2.234) 3.888 12.208 ( -4.105 0.470 4.443) 6.068 12.331 ( 3.592 0.790 -3.795) 5.285 13.139 ( -4.452 -4.062 3.358) 6.898 13.272 ( 4.745 -4.780 -4.138) 7.905 ======================= Grid point 339 (176/205) ======================= q-point: (-0.33 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.813 ( -22.055 2.422 17.589) 28.313 2.960 ( -15.558 1.679 16.464) 22.715 3.402 ( -1.929 1.384 -3.990) 4.643 3.757 ( 10.300 -0.337 -0.860) 10.341 3.895 ( -5.220 -2.914 -0.123) 5.979 3.990 ( -4.847 -0.989 2.111) 5.378 4.180 ( 0.934 3.282 -3.414) 4.827 4.287 ( -4.175 5.155 3.659) 7.576 4.430 ( 0.285 -1.364 1.088) 1.767 4.448 ( 1.930 -0.587 1.612) 2.583 4.955 ( -1.159 1.830 1.244) 2.498 5.333 ( -0.305 1.943 0.809) 2.126 6.386 ( 4.894 -3.214 -5.333) 7.920 6.510 ( 5.241 0.226 -0.934) 5.329 6.850 ( -1.695 -0.915 5.870) 6.178 6.996 ( -0.415 4.749 -2.642) 5.450 7.111 ( 4.312 1.570 -6.579) 8.022 7.331 ( 4.557 -0.034 -0.751) 4.618 7.843 ( -7.440 1.493 13.305) 15.317 8.006 ( -0.519 -1.211 -4.689) 4.870 8.367 ( -6.387 -3.785 3.627) 8.263 8.501 ( -0.815 -2.140 -0.878) 2.453 9.042 ( 2.051 2.155 -1.167) 3.195 9.198 ( 6.334 0.053 -4.691) 7.882 9.839 ( -1.123 0.295 -0.810) 1.416 9.907 ( 0.129 2.697 -0.597) 2.765 10.130 ( 0.776 0.974 -4.099) 4.284 10.177 ( 0.837 2.951 6.534) 7.218 10.413 ( 3.212 -1.176 -6.899) 7.700 10.537 ( 3.812 -1.764 7.729) 8.796 10.780 ( -3.342 3.205 2.658) 5.339 10.849 ( -0.333 3.559 -0.375) 3.594 12.168 ( -3.932 0.454 4.712) 6.153 12.366 ( 3.225 0.972 -3.835) 5.104 13.063 ( -5.265 -4.144 1.002) 6.774 13.289 ( 1.380 -4.501 -6.792) 8.264 ======================= Grid point 340 (177/205) ======================= q-point: (-0.22 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( -20.764 2.025 20.755) 29.428 2.823 ( -14.552 7.420 19.311) 25.293 3.295 ( -4.620 3.128 -5.764) 8.022 3.654 ( -13.863 2.035 -4.254) 14.643 3.950 ( -2.627 -3.227 10.644) 11.428 4.015 ( 9.934 -2.017 -1.087) 10.195 4.192 ( 3.273 4.605 -2.841) 6.324 4.238 ( -4.384 8.489 7.809) 12.339 4.444 ( -0.035 -2.318 1.931) 3.017 4.490 ( 1.198 0.105 1.702) 2.084 5.004 ( 5.140 -2.025 -1.509) 5.727 5.297 ( -2.824 1.256 -0.876) 3.212 6.453 ( 6.928 -5.277 -5.854) 10.494 6.591 ( 2.641 -2.759 1.544) 4.120 6.861 ( 0.394 -1.426 0.214) 1.495 6.991 ( 0.922 5.277 -2.365) 5.855 7.141 ( 4.160 3.911 -5.600) 7.997 7.360 ( -0.544 0.062 -1.082) 1.213 7.811 ( -6.823 1.331 13.148) 14.872 7.966 ( -0.073 -1.285 -3.929) 4.135 8.283 ( -5.103 -3.441 3.923) 7.298 8.474 ( -1.230 -2.176 -0.841) 2.638 9.084 ( 2.444 2.207 0.740) 3.375 9.267 ( 4.575 -1.447 -4.797) 6.785 9.817 ( -0.497 0.474 -0.825) 1.073 9.893 ( -0.860 3.102 -1.024) 3.378 10.130 ( 2.271 1.880 -3.077) 4.261 10.228 ( -0.649 3.823 5.398) 6.646 10.483 ( 8.239 -5.157 -4.661) 10.779 10.610 ( -1.343 -3.141 3.210) 4.688 10.760 ( 0.708 4.906 1.639) 5.221 10.873 ( 1.344 4.735 5.127) 7.108 12.140 ( -3.067 0.383 5.360) 6.187 12.387 ( 2.352 1.034 -4.296) 5.006 12.968 ( -4.785 -3.827 -0.449) 6.144 13.215 ( -3.003 -3.540 -7.751) 9.035 ======================= Grid point 341 (178/205) ======================= q-point: (-0.11 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( -9.502 4.930 22.747) 25.140 2.728 ( -11.085 10.754 18.780) 24.314 3.167 ( -2.573 4.820 -8.552) 10.148 3.315 ( -14.458 4.883 -10.483) 18.514 4.008 ( -1.506 -3.992 11.908) 12.649 4.122 ( 3.175 -2.460 -2.003) 4.489 4.247 ( -3.441 8.775 16.837) 19.296 4.302 ( 8.644 3.414 -4.597) 10.369 4.442 ( -1.688 -2.428 0.383) 2.981 4.534 ( 2.922 0.432 0.649) 3.025 5.087 ( 4.348 -2.812 -1.242) 5.325 5.230 ( -3.087 -0.329 -1.972) 3.678 6.536 ( 3.601 -4.777 -0.475) 6.001 6.623 ( -0.073 -6.081 1.529) 6.271 6.860 ( -1.392 -1.160 0.317) 1.839 6.977 ( 2.693 4.690 -8.394) 9.986 7.182 ( 3.793 5.161 -3.145) 7.135 7.312 ( -2.833 2.671 -1.480) 4.165 7.797 ( -4.784 0.802 10.806) 11.845 7.939 ( 0.065 -2.028 -3.127) 3.727 8.261 ( -0.351 -3.500 4.141) 5.433 8.438 ( -1.859 -2.258 -1.363) 3.227 9.135 ( 1.566 1.829 2.295) 3.327 9.287 ( 2.211 -1.578 -5.675) 6.292 9.809 ( -0.024 0.944 -0.160) 0.957 9.864 ( -0.867 3.294 -1.694) 3.804 10.165 ( 3.511 2.665 -1.809) 4.764 10.237 ( -2.227 3.939 3.474) 5.705 10.541 ( -0.941 -4.504 0.329) 4.613 10.597 ( 0.299 -4.097 -1.547) 4.390 10.868 ( 7.454 2.653 2.565) 8.317 10.950 ( 3.326 4.319 2.776) 6.117 12.145 ( -1.120 0.103 6.210) 6.311 12.379 ( 0.744 0.840 -5.473) 5.587 12.895 ( -2.416 -3.023 -0.032) 3.870 13.073 ( -5.833 -1.952 -5.826) 8.472 ======================= Grid point 342 (179/205) ======================= q-point: ( 0.00 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( 7.482 13.977 17.501) 23.614 2.947 ( -3.875 12.976 8.199) 15.831 3.193 ( -5.599 11.125 -8.126) 14.872 3.248 ( 3.142 9.656 -7.004) 12.335 3.990 ( -0.255 -3.338 6.297) 7.132 4.092 ( 0.778 -3.355 -2.158) 4.065 4.331 ( -3.556 -3.269 -0.249) 4.837 4.375 ( 2.700 -2.587 -3.735) 5.285 4.500 ( -4.804 9.678 15.301) 18.731 4.674 ( 7.634 4.389 -2.576) 9.175 5.052 ( -3.212 -4.850 1.933) 6.130 5.120 ( 0.636 -2.776 -4.052) 4.953 6.433 ( -5.299 -5.276 4.787) 8.879 6.530 ( 4.993 -7.541 -4.292) 10.011 6.826 ( -7.767 4.366 10.187) 13.533 7.049 ( 4.157 3.061 -10.063) 11.310 7.285 ( -2.811 5.658 5.494) 8.372 7.407 ( 3.217 6.731 -6.215) 9.710 7.797 ( -1.305 -0.948 4.224) 4.521 7.863 ( 0.801 -4.335 -0.910) 4.502 8.223 ( 2.479 -6.729 4.212) 8.317 8.312 ( -1.654 -4.905 -4.333) 6.750 9.200 ( -0.727 2.008 2.607) 3.370 9.277 ( 2.344 0.844 -4.822) 5.428 9.854 ( -0.051 2.841 1.929) 3.435 9.912 ( 0.759 3.708 -3.232) 4.977 10.237 ( -3.849 0.726 3.020) 4.946 10.294 ( 3.789 0.981 -2.889) 4.864 10.489 ( -0.003 -0.173 2.473) 2.479 10.536 ( -0.152 0.583 -2.049) 2.136 10.956 ( -5.018 2.396 7.563) 9.387 11.108 ( 7.538 0.992 -7.150) 10.437 12.192 ( 0.029 0.315 6.821) 6.828 12.342 ( 0.131 0.354 -7.968) 7.977 12.835 ( 0.105 -3.136 3.792) 4.922 12.911 ( -2.315 -2.484 -3.723) 5.039 ======================= Grid point 343 (180/205) ======================= q-point: ( 0.11 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.930 ( 3.448 10.804 -8.363) 14.091 3.088 ( 11.367 10.477 7.938) 17.378 3.156 ( 2.685 10.418 3.223) 11.230 3.329 ( 10.990 10.672 -2.167) 15.472 3.999 ( -3.029 -1.439 3.518) 4.860 4.070 ( -1.123 -4.346 -2.589) 5.182 4.241 ( -5.903 -0.088 1.068) 5.999 4.393 ( 1.323 -3.302 -1.649) 3.921 4.511 ( -3.495 3.233 6.203) 7.819 4.755 ( 4.650 7.457 -9.140) 12.679 4.943 ( -6.436 -6.807 3.163) 9.888 5.182 ( 4.467 -0.090 1.522) 4.720 6.356 ( -6.762 -4.684 4.580) 9.415 6.563 ( 1.806 -8.401 -4.196) 9.563 6.764 ( -7.493 7.209 13.066) 16.699 7.055 ( 1.338 2.082 -4.072) 4.765 7.281 ( -0.315 6.808 2.664) 7.317 7.403 ( 1.058 4.726 -5.720) 7.495 7.818 ( 0.086 -0.165 3.850) 3.855 7.900 ( 4.127 -4.747 -2.314) 6.702 8.256 ( 0.065 -5.282 -2.841) 5.998 8.309 ( 3.001 -6.216 1.735) 7.117 9.198 ( -1.286 1.544 1.832) 2.719 9.275 ( 1.644 1.673 -5.495) 5.974 9.853 ( -0.767 2.823 0.226) 2.934 9.923 ( 2.274 3.896 -1.683) 4.815 10.163 ( -4.963 0.310 1.979) 5.352 10.352 ( 2.553 -0.621 -1.380) 2.968 10.470 ( -2.342 3.921 -0.302) 4.577 10.550 ( 2.201 -1.937 -0.014) 2.932 10.883 ( -6.905 4.143 4.854) 9.403 11.149 ( 3.279 0.519 -8.803) 9.408 12.248 ( 0.069 -0.164 5.642) 5.644 12.294 ( 1.176 0.405 -6.130) 6.255 12.835 ( -0.743 -2.807 0.939) 3.051 12.926 ( 2.922 -3.249 2.753) 5.165 ======================= Grid point 344 (181/205) ======================= q-point: ( 0.22 0.22 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.994 ( 12.473 7.580 -12.983) 19.534 3.259 ( 4.082 7.402 5.906) 10.311 3.274 ( 9.026 7.965 -7.173) 14.013 3.611 ( 13.936 6.012 5.572) 16.168 3.936 ( -5.509 -1.280 0.534) 5.681 3.991 ( -6.953 -1.718 0.867) 7.215 4.161 ( -2.064 0.710 -0.113) 2.186 4.394 ( -0.084 -2.604 -1.010) 2.795 4.469 ( -3.285 -0.746 0.049) 3.369 4.664 ( -5.660 0.135 -7.321) 9.255 4.939 ( 3.563 0.750 0.116) 3.643 5.292 ( 4.943 2.752 3.180) 6.490 6.267 ( -5.914 -3.307 4.562) 8.169 6.540 ( -1.518 -5.670 -1.293) 6.010 6.762 ( -3.889 6.517 12.558) 14.673 7.025 ( -3.479 3.740 2.648) 5.754 7.314 ( 3.125 6.048 -3.075) 7.470 7.354 ( -1.990 1.870 -3.656) 4.564 7.854 ( 0.566 1.425 3.534) 3.852 7.964 ( 5.154 -5.420 -4.253) 8.604 8.266 ( 2.625 -5.174 -1.362) 5.960 8.368 ( 2.424 -5.760 0.396) 6.262 9.179 ( -1.753 1.656 0.324) 2.433 9.253 ( 1.006 2.383 -5.971) 6.507 9.840 ( -0.109 1.827 -0.819) 2.005 9.954 ( 1.557 4.314 -0.437) 4.607 10.094 ( -3.950 -0.823 1.838) 4.434 10.328 ( -4.897 -1.508 1.717) 5.404 10.437 ( 0.359 6.658 -3.079) 7.345 10.594 ( 2.258 -2.823 -0.888) 3.723 10.815 ( -3.271 4.799 3.745) 6.911 11.101 ( -0.432 1.885 -9.129) 9.331 12.263 ( 1.824 0.997 -3.747) 4.285 12.298 ( -0.968 0.216 3.782) 3.910 12.866 ( 3.207 -4.460 1.062) 5.595 13.007 ( 1.996 -4.622 4.867) 7.002 ======================= Grid point 345 (182/205) ======================= q-point: ( 0.33 0.22 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.171 ( 16.139 4.751 -12.079) 20.711 3.333 ( 0.836 4.520 0.458) 4.619 3.362 ( 5.840 4.251 -7.305) 10.274 3.764 ( -12.907 3.029 1.454) 13.338 3.856 ( 8.724 -0.194 2.599) 9.105 3.901 ( -3.518 -0.837 3.637) 5.129 4.145 ( -0.630 -2.245 -1.113) 2.584 4.371 ( -3.520 -3.279 1.543) 5.053 4.414 ( -0.582 -0.548 -1.655) 1.838 4.503 ( -4.840 -2.062 -5.868) 7.881 5.041 ( 7.167 4.478 -0.213) 8.454 5.383 ( 1.887 3.318 0.942) 3.932 6.234 ( -1.239 -1.345 5.316) 5.621 6.494 ( -2.667 -2.070 -0.248) 3.385 6.806 ( -2.255 6.953 13.013) 14.925 6.986 ( -3.062 2.543 3.867) 5.550 7.274 ( -1.168 3.715 -6.045) 7.191 7.335 ( 0.217 3.455 -2.398) 4.211 7.888 ( -0.007 1.665 3.320) 3.714 8.012 ( 3.867 -5.528 -5.685) 8.823 8.313 ( 1.455 -5.538 2.580) 6.280 8.414 ( 3.358 -5.166 -2.245) 6.558 9.138 ( -2.171 2.439 -0.934) 3.396 9.222 ( 0.900 3.500 -6.546) 7.477 9.842 ( 0.937 0.786 -0.298) 1.259 9.960 ( -1.039 3.578 0.088) 3.727 10.060 ( -0.882 -1.396 2.205) 2.755 10.246 ( -5.431 0.925 3.615) 6.589 10.420 ( 0.603 6.476 -3.546) 7.408 10.599 ( -0.183 -2.964 -3.531) 4.614 10.819 ( -0.179 3.327 3.849) 5.090 11.016 ( -0.905 3.426 -7.744) 8.516 12.278 ( 2.136 1.398 -2.443) 3.533 12.296 ( -1.780 1.124 2.828) 3.525 12.957 ( 5.315 -6.242 0.853) 8.243 13.064 ( -0.157 -5.997 4.990) 7.803 ======================= Grid point 346 (183/205) ======================= q-point: (-0.56 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.267 ( -8.292 2.400 5.190) 10.072 3.360 ( 4.167 3.741 -7.210) 9.129 3.406 ( 11.752 2.082 -9.425) 15.208 3.520 ( -12.658 3.704 0.440) 13.196 3.914 ( -0.371 -1.575 7.143) 7.324 3.992 ( 2.567 -4.441 0.445) 5.148 4.111 ( -0.324 -2.886 2.677) 3.950 4.302 ( -2.556 -3.083 -2.652) 4.803 4.409 ( -0.055 -0.814 -3.308) 3.407 4.419 ( 0.787 0.074 -3.654) 3.739 5.185 ( 6.619 4.445 2.424) 8.333 5.352 ( -4.889 4.522 -0.795) 6.706 6.295 ( 2.335 -0.798 5.139) 5.701 6.443 ( -1.778 0.160 -1.645) 2.427 6.865 ( -4.163 7.552 14.706) 17.048 6.987 ( 2.485 -0.378 -0.211) 2.522 7.222 ( -1.631 3.375 -1.357) 3.986 7.296 ( 0.415 6.337 -6.672) 9.212 7.901 ( -1.600 0.635 3.865) 4.231 8.018 ( 1.610 -5.030 -5.403) 7.555 8.348 ( -1.506 -6.047 5.646) 8.409 8.450 ( 2.817 -4.786 -3.875) 6.772 9.097 ( -1.684 3.199 0.241) 3.623 9.190 ( 2.125 4.692 -8.060) 9.566 9.873 ( 2.143 0.432 0.323) 2.210 9.926 ( -1.917 1.460 -0.465) 2.454 10.094 ( 1.587 -0.460 3.848) 4.188 10.187 ( -3.967 1.089 3.218) 5.223 10.412 ( 1.069 6.206 -1.730) 6.531 10.538 ( -1.663 -1.608 -6.207) 6.624 10.846 ( -0.584 2.323 4.070) 4.722 10.959 ( 0.204 3.687 -5.358) 6.507 12.266 ( -3.749 1.677 4.724) 6.260 12.316 ( 3.865 1.712 -4.271) 6.009 13.056 ( 2.186 -6.910 2.091) 7.543 13.081 ( 0.835 -7.327 1.297) 7.488 ======================= Grid point 347 (184/205) ======================= q-point: (-0.44 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.123 ( -13.060 3.964 12.425) 18.457 3.197 ( -18.076 4.365 7.898) 20.203 3.430 ( 3.406 0.451 -6.107) 7.007 3.581 ( 11.093 2.140 -4.606) 12.200 3.911 ( -5.821 -5.079 3.841) 8.627 3.989 ( -0.743 -2.232 3.619) 4.316 4.232 ( 7.530 -2.353 2.824) 8.379 4.243 ( 1.134 -0.774 -7.906) 8.025 4.390 ( 0.656 -0.484 -1.748) 1.929 4.418 ( 1.265 -0.313 -3.220) 3.474 5.187 ( -9.792 7.018 2.408) 12.285 5.329 ( 3.947 2.887 1.290) 5.057 6.358 ( -0.088 -0.203 2.269) 2.279 6.421 ( 2.214 -1.652 -2.540) 3.753 6.866 ( -5.345 3.584 10.236) 12.090 7.069 ( 5.847 0.939 -1.799) 6.189 7.159 ( -4.243 5.679 0.859) 7.141 7.305 ( 5.415 6.459 -5.669) 10.158 7.889 ( -3.528 -0.228 5.408) 6.461 7.996 ( 0.071 -4.193 -3.851) 5.694 8.335 ( -4.961 -6.323 6.374) 10.258 8.454 ( 0.951 -4.651 -3.734) 6.039 9.083 ( -0.357 3.854 1.179) 4.046 9.186 ( 4.066 4.176 -7.513) 9.509 9.879 ( -1.707 0.551 -0.416) 1.841 9.931 ( 3.165 1.564 -1.029) 3.677 10.133 ( -2.612 -2.588 1.831) 4.108 10.172 ( 1.936 2.594 3.730) 4.939 10.443 ( 2.344 3.934 1.825) 4.929 10.464 ( -0.644 1.144 -6.139) 6.277 10.856 ( -1.900 2.507 4.444) 5.444 10.930 ( 0.438 3.267 -3.868) 5.082 12.228 ( -4.037 1.883 4.385) 6.251 12.357 ( 3.963 1.947 -4.192) 6.089 13.030 ( -4.354 -7.098 2.640) 8.735 13.148 ( 4.309 -7.919 -3.120) 9.540 ======================= Grid point 348 (185/205) ======================= q-point: (-0.33 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.894 ( -20.820 6.621 14.052) 25.976 3.034 ( -11.130 5.954 18.115) 22.079 3.433 ( -0.039 1.694 -3.573) 3.955 3.752 ( 8.390 0.031 0.944) 8.443 3.833 ( -4.218 -3.774 1.906) 5.972 3.968 ( -3.458 -1.235 1.238) 3.875 4.228 ( 4.083 1.622 -7.920) 9.057 4.368 ( 1.808 1.449 3.430) 4.140 4.405 ( 1.999 -0.800 -0.744) 2.278 4.425 ( 2.409 -1.214 -0.172) 2.704 5.029 ( -6.997 5.949 0.702) 9.211 5.373 ( -1.072 1.879 1.770) 2.795 6.348 ( 1.755 -1.100 -4.999) 5.411 6.467 ( 1.681 -4.160 2.137) 4.970 6.849 ( -2.790 1.301 5.560) 6.356 7.112 ( -0.478 7.311 -0.714) 7.361 7.156 ( 3.942 2.232 0.043) 4.531 7.365 ( 4.307 4.498 -4.085) 7.448 7.859 ( -4.797 -0.326 6.973) 8.470 7.964 ( -0.807 -3.262 -2.485) 4.180 8.268 ( -6.949 -6.256 5.816) 11.011 8.435 ( -0.020 -4.759 -2.975) 5.613 9.101 ( 1.152 3.957 1.216) 4.297 9.218 ( 4.369 2.202 -5.312) 7.222 9.847 ( -0.983 0.481 -0.941) 1.443 9.971 ( 1.354 3.745 -1.036) 4.115 10.106 ( 0.450 -3.705 -1.366) 3.975 10.243 ( 1.835 3.235 4.709) 6.001 10.424 ( 1.078 2.015 -4.733) 5.256 10.521 ( 2.771 1.113 3.690) 4.747 10.846 ( -2.451 3.398 3.816) 5.667 10.921 ( 1.062 3.510 -1.210) 3.862 12.188 ( -3.851 1.898 4.394) 6.143 12.394 ( 3.613 1.963 -4.656) 6.212 12.955 ( -4.945 -6.846 0.985) 8.502 13.171 ( 1.425 -7.597 -5.131) 9.278 ======================= Grid point 349 (186/205) ======================= q-point: (-0.22 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( -16.241 10.116 17.940) 26.229 2.991 ( -9.818 9.810 19.166) 23.663 3.370 ( -2.960 4.426 -4.101) 6.721 3.708 ( -9.351 3.202 -2.930) 10.309 3.871 ( -0.403 -4.912 5.041) 7.049 3.981 ( 5.358 -1.735 1.775) 5.905 4.268 ( 6.626 3.210 -7.415) 10.449 4.376 ( -0.575 -1.088 0.166) 1.242 4.436 ( -0.552 6.246 7.067) 9.448 4.487 ( 0.140 0.282 4.801) 4.811 4.969 ( 1.373 -0.786 -2.699) 3.128 5.323 ( -4.499 1.144 -0.017) 4.642 6.371 ( 5.035 -3.204 -5.135) 7.873 6.499 ( -0.549 -6.018 2.803) 6.662 6.852 ( -0.606 0.894 2.985) 3.175 7.106 ( 0.522 6.549 -2.691) 7.100 7.224 ( 2.353 3.348 2.261) 4.675 7.392 ( 2.448 4.404 -4.602) 6.824 7.824 ( -4.601 -0.418 6.827) 8.244 7.927 ( -1.439 -2.826 -1.647) 3.573 8.189 ( -5.612 -6.268 5.303) 9.946 8.410 ( -0.343 -4.721 -2.713) 5.455 9.140 ( 1.532 3.523 2.054) 4.356 9.252 ( 3.215 0.244 -4.521) 5.553 9.831 ( -0.111 0.973 -0.412) 1.062 9.963 ( -0.763 4.002 -1.160) 4.236 10.135 ( 3.547 -2.202 -1.699) 4.507 10.306 ( 0.557 3.236 4.405) 5.494 10.429 ( 2.549 0.345 -2.857) 3.844 10.572 ( 0.121 -0.104 1.439) 1.448 10.847 ( 0.500 4.067 3.120) 5.151 10.958 ( 2.350 3.743 2.107) 4.896 12.159 ( -3.082 1.730 4.897) 6.039 12.413 ( 2.630 1.561 -5.712) 6.480 12.872 ( -4.145 -5.846 0.405) 7.178 13.120 ( -2.020 -6.255 -6.020) 8.913 ======================= Grid point 350 (187/205) ======================= q-point: (-0.11 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( -5.071 13.696 19.511) 24.371 2.960 ( -7.943 12.801 15.703) 21.761 3.285 ( -1.464 7.134 -5.686) 9.239 3.446 ( -12.089 8.484 -8.656) 17.119 3.925 ( 0.860 -5.101 7.369) 9.004 4.071 ( 2.658 -2.738 0.118) 3.818 4.341 ( 5.779 1.410 -6.570) 8.862 4.368 ( -0.659 -3.332 0.515) 3.435 4.475 ( -6.224 11.264 17.088) 21.393 4.546 ( 5.609 1.063 0.772) 5.760 5.011 ( 4.636 -4.944 -3.094) 7.451 5.221 ( -5.481 -0.676 -1.725) 5.786 6.441 ( 4.707 -4.720 -2.134) 6.999 6.492 ( -1.605 -6.965 1.773) 7.364 6.861 ( -2.207 1.657 4.676) 5.430 7.076 ( 0.837 5.176 -7.430) 9.094 7.274 ( -0.185 4.090 4.800) 6.309 7.396 ( 2.625 6.355 -5.595) 8.865 7.800 ( -2.958 -0.861 5.202) 6.046 7.885 ( -1.893 -3.491 -0.809) 4.053 8.166 ( -0.818 -6.419 4.810) 8.063 8.373 ( -1.279 -4.779 -3.343) 5.971 9.181 ( 0.547 2.766 2.791) 3.967 9.268 ( 2.510 -0.024 -4.583) 5.225 9.836 ( 0.447 1.853 0.746) 2.047 9.935 ( -0.735 3.889 -2.034) 4.450 10.198 ( 4.130 -0.412 -0.890) 4.245 10.315 ( -2.391 2.571 2.065) 4.073 10.460 ( 1.557 -1.492 0.315) 2.180 10.561 ( -0.934 0.730 -0.843) 1.454 10.922 ( 2.731 2.699 5.375) 6.606 11.024 ( 3.965 3.015 -0.698) 5.030 12.156 ( -1.616 1.253 5.877) 6.223 12.396 ( 0.901 0.738 -7.216) 7.310 12.823 ( -1.653 -4.183 1.545) 4.756 13.015 ( -4.052 -4.159 -5.264) 7.837 ======================= Grid point 351 (188/205) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.069 ( 6.190 15.306 12.286) 20.580 3.184 ( -2.771 11.223 4.391) 12.366 3.419 ( -0.860 10.910 -3.023) 11.354 3.445 ( -0.753 11.545 -5.466) 12.796 3.906 ( 2.068 -5.578 7.126) 9.283 4.023 ( -0.261 -4.267 -2.545) 4.975 4.258 ( -2.170 -3.851 0.747) 4.484 4.310 ( 0.708 -4.060 -3.044) 5.124 4.688 ( -7.410 8.991 7.514) 13.863 4.748 ( 8.988 3.279 -0.489) 9.580 4.957 ( -1.687 -4.603 3.375) 5.952 5.063 ( 0.564 -3.131 -5.395) 6.263 6.345 ( -3.791 -3.697 2.446) 5.833 6.399 ( 2.469 -5.809 -2.549) 6.807 6.933 ( -4.972 6.219 10.535) 13.205 7.096 ( 0.379 1.469 -4.663) 4.904 7.410 ( -1.401 7.536 5.975) 9.719 7.535 ( 1.411 6.440 -4.253) 7.846 7.772 ( 1.832 -1.708 -0.946) 2.677 7.776 ( -0.843 -3.817 0.234) 3.916 8.071 ( 1.301 -8.880 5.465) 10.508 8.195 ( -0.348 -7.319 -6.240) 9.624 9.249 ( -0.574 2.935 1.710) 3.445 9.301 ( 2.185 1.436 -3.663) 4.501 9.912 ( 0.350 3.275 2.598) 4.195 9.978 ( 0.690 3.147 -3.221) 4.556 10.201 ( -2.290 -3.556 2.372) 4.849 10.255 ( 2.602 -4.035 -3.064) 5.696 10.542 ( -0.796 5.130 3.781) 6.423 10.609 ( 0.241 5.119 -2.496) 5.701 10.993 ( -3.277 1.570 6.071) 7.075 11.113 ( 5.276 -0.697 -5.314) 7.521 12.217 ( -0.510 2.347 5.504) 6.005 12.345 ( 0.104 -0.128 -6.981) 6.983 12.775 ( 0.289 -2.877 3.303) 4.390 12.848 ( -1.294 -3.901 -3.857) 5.637 ======================= Grid point 352 (189/205) ======================= q-point: ( 0.11 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.159 ( 1.874 12.379 -6.611) 14.158 3.282 ( 7.922 9.191 4.327) 12.882 3.366 ( 0.223 11.365 0.549) 11.381 3.539 ( 8.942 10.801 0.591) 14.035 3.955 ( -1.578 -3.563 -1.950) 4.358 3.977 ( -0.757 -5.258 -0.324) 5.322 4.232 ( -2.599 -0.763 3.861) 4.717 4.319 ( 1.792 -4.311 -1.414) 4.878 4.573 ( -7.624 2.808 0.614) 8.148 4.800 ( -10.725 -6.600 1.657) 12.701 4.905 ( 7.799 7.112 -3.522) 11.127 5.178 ( 8.272 -0.607 0.827) 8.336 6.280 ( -5.542 -3.025 3.782) 7.360 6.409 ( 0.613 -7.184 -1.699) 7.408 6.909 ( -5.893 7.490 10.454) 14.146 7.092 ( 0.989 1.338 -0.380) 1.707 7.415 ( -2.502 7.238 4.904) 9.093 7.513 ( 0.135 6.625 -4.956) 8.275 7.796 ( 2.945 -3.740 -0.522) 4.789 7.815 ( 3.367 -1.590 -1.294) 3.942 8.126 ( 0.170 -8.418 2.038) 8.663 8.174 ( 3.591 -7.456 -3.425) 8.957 9.244 ( -0.863 3.025 0.716) 3.226 9.306 ( 1.608 1.479 -4.222) 4.754 9.908 ( -1.363 2.907 -0.328) 3.227 9.996 ( 2.696 3.355 -1.697) 4.627 10.134 ( -4.660 -2.416 1.094) 5.362 10.305 ( 2.804 -3.986 -1.862) 5.217 10.553 ( -0.912 3.272 3.559) 4.920 10.586 ( -0.565 5.385 -2.278) 5.875 10.952 ( -4.504 3.279 3.456) 6.556 11.147 ( 3.048 -1.110 -6.800) 7.534 12.261 ( 0.082 1.487 6.013) 6.195 12.306 ( 1.215 0.780 -5.672) 5.853 12.778 ( -0.984 -2.878 0.367) 3.064 12.849 ( 1.982 -4.596 1.295) 5.170 ======================= Grid point 353 (190/205) ======================= q-point: ( 0.22 0.33 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.185 ( 8.752 11.816 -11.019) 18.375 3.400 ( 2.152 7.114 1.733) 7.631 3.415 ( 5.796 6.566 -4.273) 9.745 3.731 ( 7.976 6.244 2.915) 10.541 3.876 ( -1.018 -5.532 -6.978) 8.962 3.949 ( -4.585 -1.958 2.561) 5.605 4.205 ( -4.748 3.103 5.004) 7.563 4.338 ( 1.384 -2.779 -1.778) 3.578 4.446 ( -5.167 -1.617 -0.682) 5.457 4.592 ( -10.184 -6.233 -2.230) 12.146 5.027 ( 7.248 7.328 -1.409) 10.403 5.330 ( 6.697 0.634 1.016) 6.803 6.216 ( -4.447 -1.867 5.142) 7.049 6.405 ( 0.186 -7.421 -0.827) 7.469 6.895 ( -3.161 7.332 8.366) 11.564 7.107 ( -1.909 2.985 5.239) 6.325 7.391 ( -3.052 5.039 1.977) 6.215 7.475 ( 0.116 8.076 -3.915) 8.975 7.851 ( 3.247 -5.774 -2.546) 7.097 7.872 ( 3.935 0.389 -1.456) 4.213 8.146 ( 1.504 -7.175 0.999) 7.399 8.237 ( 4.309 -7.685 -1.879) 9.008 9.229 ( -1.106 3.299 0.083) 3.481 9.297 ( 1.340 1.923 -4.874) 5.408 9.877 ( -0.802 2.018 -1.774) 2.804 10.026 ( 0.842 0.135 -0.781) 1.157 10.062 ( -3.007 1.258 0.345) 3.277 10.308 ( -1.481 -2.014 -0.441) 2.539 10.557 ( -0.634 5.144 -1.631) 5.433 10.567 ( -0.227 0.563 1.757) 1.859 10.902 ( -2.698 4.534 1.982) 5.636 11.120 ( 0.426 -0.231 -7.620) 7.635 12.294 ( 1.996 2.106 -2.586) 3.887 12.312 ( -0.128 1.266 4.023) 4.220 12.784 ( 1.696 -3.866 -0.086) 4.223 12.899 ( 0.995 -6.319 3.418) 7.253 ======================= Grid point 354 (191/205) ======================= q-point: ( 0.33 0.33 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.309 ( 13.290 9.302 -11.094) 19.653 3.417 ( -2.614 4.250 2.188) 5.448 3.449 ( 4.025 4.396 -10.917) 12.438 3.803 ( -7.310 1.294 -1.038) 7.496 3.827 ( 3.932 -4.007 -5.283) 7.709 3.890 ( -2.142 0.011 7.249) 7.559 4.130 ( -5.980 0.891 3.212) 6.846 4.310 ( -6.136 -2.762 2.812) 7.293 4.388 ( 0.356 -2.028 -0.789) 2.204 4.443 ( -1.448 -3.803 -6.181) 7.401 5.156 ( 6.594 7.087 1.071) 9.739 5.423 ( 2.593 0.529 -0.527) 2.699 6.211 ( -0.624 -0.913 5.829) 5.933 6.403 ( 0.230 -6.376 -1.004) 6.459 6.928 ( 0.586 6.523 6.116) 8.961 7.091 ( -5.604 5.077 8.558) 11.420 7.345 ( -2.196 5.873 0.308) 6.277 7.458 ( 0.568 7.799 -3.214) 8.454 7.873 ( 1.446 -5.053 -2.502) 5.821 7.919 ( 2.783 -2.005 -3.537) 4.926 8.192 ( 0.727 -6.589 4.517) 8.022 8.298 ( 4.775 -6.658 -4.148) 9.184 9.203 ( -1.646 4.110 0.129) 4.429 9.286 ( 1.832 2.820 -5.331) 6.303 9.858 ( 0.250 0.985 -1.118) 1.511 9.988 ( -3.337 -2.439 0.852) 4.220 10.057 ( 1.308 3.384 -0.985) 3.759 10.260 ( -3.297 -0.573 0.505) 3.385 10.534 ( -0.315 4.845 -1.672) 5.135 10.565 ( -0.837 -0.056 -0.179) 0.857 10.886 ( -0.910 3.813 2.155) 4.473 11.060 ( -0.215 0.829 -7.235) 7.285 12.319 ( 2.766 2.823 -2.463) 4.657 12.330 ( -1.340 2.460 3.933) 4.828 12.838 ( 3.944 -5.909 -0.125) 7.105 12.931 ( -0.822 -7.639 3.791) 8.568 ======================= Grid point 355 (192/205) ======================= q-point: (-0.56 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.330 ( -7.921 3.816 3.344) 9.407 3.417 ( 2.529 1.690 -10.487) 10.919 3.488 ( 12.800 6.580 -8.021) 16.476 3.594 ( -13.503 4.137 0.718) 14.141 3.869 ( -0.223 -3.224 3.284) 4.607 3.901 ( -0.539 -4.950 0.963) 5.071 4.083 ( -1.475 -0.091 6.778) 6.937 4.234 ( -2.743 -3.822 0.857) 4.782 4.393 ( 1.558 -0.755 -4.845) 5.145 4.409 ( 2.167 -0.984 -5.251) 5.765 5.280 ( 4.560 5.190 3.138) 7.587 5.414 ( -2.401 1.937 -1.367) 3.374 6.268 ( 1.462 -1.601 5.109) 5.550 6.393 ( 0.178 -4.579 -2.597) 5.267 7.004 ( 1.987 5.281 5.228) 7.692 7.038 ( -6.242 5.090 7.732) 11.165 7.325 ( -1.862 8.011 3.201) 8.826 7.441 ( 1.556 8.260 -5.144) 9.854 7.871 ( -0.045 -4.449 -1.251) 4.622 7.919 ( 0.665 -4.583 -3.940) 6.081 8.229 ( -1.707 -5.734 6.252) 8.653 8.342 ( 3.475 -6.282 -4.946) 8.717 9.179 ( -1.429 5.151 1.656) 5.596 9.278 ( 2.168 3.968 -6.399) 7.836 9.875 ( 2.013 -0.074 0.142) 2.020 9.934 ( -2.615 -0.871 -0.197) 2.764 10.085 ( 1.411 0.564 1.617) 2.219 10.201 ( -2.472 -0.553 -1.265) 2.831 10.516 ( -1.011 3.640 -0.317) 3.792 10.543 ( -0.105 2.615 -1.890) 3.228 10.893 ( -0.768 2.610 3.025) 4.068 11.009 ( 0.280 1.226 -5.938) 6.070 12.317 ( -3.122 3.709 4.506) 6.619 12.362 ( 3.992 3.082 -3.773) 6.298 12.914 ( 3.107 -7.554 0.141) 8.169 12.927 ( -1.163 -8.335 2.170) 8.691 ======================= Grid point 356 (193/205) ======================= q-point: (-0.44 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.213 ( -8.871 5.216 8.970) 13.651 3.317 ( -15.919 7.860 6.432) 18.883 3.424 ( 2.246 -1.258 -4.598) 5.270 3.650 ( 9.080 4.961 -3.932) 11.069 3.806 ( -6.609 -6.006 4.705) 10.094 3.942 ( 1.160 -2.889 1.520) 3.464 4.175 ( 5.574 -2.679 3.165) 6.947 4.218 ( 1.580 -2.160 -1.373) 3.008 4.386 ( 2.325 0.071 -5.710) 6.166 4.414 ( 2.723 -0.240 -5.423) 6.073 5.306 ( -6.534 5.230 1.102) 8.441 5.380 ( 1.599 2.240 1.538) 3.153 6.326 ( 0.694 -2.563 3.193) 4.153 6.372 ( 0.777 -3.263 -4.130) 5.320 6.964 ( -7.011 6.065 8.360) 12.483 7.098 ( 3.380 1.605 2.579) 4.544 7.303 ( -3.488 9.391 4.107) 10.828 7.455 ( 4.122 8.540 -5.044) 10.741 7.852 ( -1.693 -3.562 0.692) 4.004 7.898 ( -0.006 -6.060 -2.417) 6.525 8.217 ( -5.012 -5.380 6.529) 9.834 8.347 ( 1.190 -6.321 -4.607) 7.911 9.176 ( -0.855 5.620 2.783) 6.330 9.271 ( 2.587 4.109 -6.533) 8.140 9.884 ( -1.645 -0.055 -0.846) 1.851 9.937 ( 3.755 -1.334 -0.252) 3.993 10.095 ( -2.963 -0.521 2.052) 3.642 10.191 ( 3.603 -0.740 -1.495) 3.970 10.492 ( -1.444 3.366 0.959) 3.786 10.546 ( 1.642 4.414 -1.274) 4.879 10.900 ( -1.408 2.094 3.987) 4.718 10.976 ( 0.644 1.271 -4.547) 4.765 12.286 ( -3.568 4.259 3.739) 6.697 12.406 ( 3.936 3.053 -4.216) 6.526 12.883 ( -3.931 -7.735 2.274) 8.969 12.985 ( 3.723 -8.849 -2.410) 9.898 ======================= Grid point 357 (194/205) ======================= q-point: (-0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.071 ( -15.838 11.599 11.405) 22.703 3.170 ( -6.940 7.861 15.184) 18.453 3.451 ( 1.727 -0.310 -1.090) 2.065 3.734 ( -4.170 -6.506 4.097) 8.746 3.772 ( 4.995 1.780 1.280) 5.455 3.942 ( -2.251 -1.614 1.552) 3.175 4.236 ( 4.308 -0.628 -4.322) 6.134 4.332 ( 4.119 -3.819 4.359) 7.109 4.391 ( 4.367 0.362 -6.328) 7.697 4.436 ( 4.658 0.722 -5.129) 6.966 5.162 ( -8.604 7.306 0.361) 11.293 5.394 ( -2.280 0.161 2.205) 3.176 6.325 ( 0.902 -1.576 -4.558) 4.906 6.380 ( 0.689 -4.353 0.877) 4.494 6.914 ( -4.442 5.497 6.886) 9.867 7.169 ( 1.918 -0.511 2.444) 3.149 7.278 ( -2.095 9.675 3.845) 10.619 7.495 ( 3.622 7.984 -4.142) 9.696 7.823 ( -2.556 -3.449 2.116) 4.786 7.882 ( -0.636 -5.350 -0.565) 5.417 8.150 ( -7.180 -5.264 6.173) 10.833 8.323 ( 0.163 -6.775 -4.160) 7.952 9.189 ( -0.078 5.057 2.591) 5.683 9.272 ( 2.373 2.981 -5.157) 6.412 9.856 ( -0.477 0.440 -1.039) 1.225 10.004 ( 2.968 -4.292 -0.213) 5.223 10.055 ( -0.848 3.043 -0.511) 3.200 10.262 ( 3.516 -1.567 0.263) 3.858 10.484 ( -0.745 4.551 2.148) 5.087 10.578 ( 2.342 3.578 -0.622) 4.322 10.901 ( -1.695 2.325 3.796) 4.763 10.969 ( 1.531 1.349 -1.733) 2.677 12.247 ( -3.501 4.360 3.344) 6.516 12.437 ( 3.251 2.286 -5.227) 6.566 12.821 ( -4.053 -6.508 1.467) 7.806 13.011 ( 1.630 -8.846 -3.846) 9.783 ======================= Grid point 358 (195/205) ======================= q-point: (-0.22 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.919 ( -10.492 15.837 13.956) 23.573 3.184 ( -5.741 10.019 16.390) 20.049 3.449 ( -0.864 3.291 -1.194) 3.606 3.717 ( -1.085 -5.623 3.687) 6.811 3.807 ( -4.429 1.076 0.513) 4.587 3.942 ( 2.307 -2.361 3.552) 4.849 4.287 ( 2.835 -1.291 -1.515) 3.464 4.347 ( 0.583 -0.888 -3.673) 3.823 4.461 ( 5.372 0.052 -2.880) 6.095 4.549 ( 7.384 1.612 2.406) 7.932 5.012 ( -6.826 5.608 -0.551) 8.852 5.327 ( -6.124 -1.108 1.119) 6.324 6.323 ( 3.186 -2.025 -5.025) 6.285 6.390 ( -0.392 -4.841 0.930) 4.945 6.907 ( -1.952 4.880 6.072) 8.031 7.186 ( -1.160 -0.144 -0.221) 1.189 7.305 ( 0.800 7.688 5.928) 9.741 7.521 ( 2.602 7.745 -3.936) 9.069 7.791 ( -2.598 -2.970 2.119) 4.479 7.860 ( -1.529 -4.286 -0.193) 4.555 8.064 ( -6.461 -5.776 5.895) 10.481 8.293 ( 0.058 -7.480 -4.305) 8.631 9.213 ( 0.316 3.958 2.749) 4.829 9.276 ( 2.071 1.889 -4.196) 5.046 9.853 ( 0.617 1.308 -0.032) 1.446 10.017 ( -0.671 -0.943 0.381) 1.219 10.083 ( 3.666 0.225 -1.462) 3.953 10.307 ( 0.981 -2.770 -0.099) 2.940 10.497 ( -0.199 5.675 3.222) 6.529 10.610 ( 1.756 3.119 -1.625) 3.931 10.911 ( 0.158 2.673 3.606) 4.491 11.005 ( 2.375 1.022 0.848) 2.721 12.213 ( -2.893 4.067 3.516) 6.105 12.439 ( 1.738 0.712 -6.522) 6.787 12.767 ( -2.676 -4.436 1.447) 5.379 12.985 ( -0.752 -7.662 -4.626) 8.981 ======================= Grid point 359 (196/205) ======================= q-point: (-0.11 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.915 ( -1.749 17.716 14.548) 22.991 3.193 ( -5.117 11.151 11.861) 17.065 3.420 ( -0.107 6.588 -2.329) 6.988 3.620 ( -8.143 9.377 -5.637) 13.638 3.804 ( 1.790 -7.721 7.379) 10.829 4.012 ( 1.636 -3.734 1.941) 4.515 4.290 ( -1.434 -3.914 0.273) 4.177 4.332 ( 0.864 -2.174 -4.791) 5.332 4.579 ( 9.063 2.611 -1.399) 9.535 4.689 ( 0.384 8.724 11.243) 14.236 4.922 ( 0.113 -2.816 -4.125) 4.996 5.196 ( -7.800 -2.286 -0.631) 8.152 6.360 ( 3.980 -3.841 -3.637) 6.620 6.380 ( -1.649 -4.339 1.283) 4.815 6.926 ( -2.010 4.925 7.247) 8.990 7.142 ( -1.606 1.056 -3.099) 3.647 7.370 ( 0.346 6.909 6.556) 9.531 7.533 ( 1.998 7.219 -3.822) 8.408 7.766 ( -0.971 -2.512 0.581) 2.755 7.817 ( -2.749 -3.330 -0.289) 4.328 8.028 ( -2.026 -7.411 5.856) 9.660 8.252 ( -0.519 -7.860 -5.270) 9.477 9.237 ( -0.066 3.116 2.594) 4.055 9.287 ( 2.326 1.577 -3.661) 4.615 9.877 ( 1.255 2.361 1.408) 3.022 10.001 ( -0.749 2.479 -1.148) 2.833 10.149 ( 4.137 -3.274 -0.394) 5.291 10.293 ( -2.155 -3.590 -0.438) 4.210 10.521 ( -0.209 5.920 3.643) 6.955 10.617 ( 0.923 4.091 -2.481) 4.873 10.964 ( 1.056 1.769 5.369) 5.751 11.057 ( 3.254 0.375 -1.235) 3.501 12.199 ( -1.772 3.389 4.330) 5.777 12.401 ( 0.186 -0.463 -7.263) 7.280 12.751 ( -0.486 -2.798 2.119) 3.543 12.919 ( -2.183 -5.668 -4.515) 7.568 ======================= Grid point 360 (197/205) ======================= q-point: ( 0.00 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.312 ( 2.652 8.446 5.626) 10.489 3.344 ( -0.955 4.592 2.615) 5.370 3.585 ( 3.421 7.349 3.176) 8.706 3.654 ( -2.643 6.195 -3.022) 7.382 3.801 ( 2.899 -2.233 6.873) 7.786 3.912 ( -0.987 -7.621 -2.329) 8.030 4.207 ( -1.084 -0.901 0.074) 1.412 4.234 ( -0.303 -3.367 -1.867) 3.861 4.784 ( -0.375 2.183 1.344) 2.591 4.811 ( -4.306 0.684 -1.925) 4.765 4.920 ( 4.226 2.562 4.342) 6.578 4.998 ( 1.303 -3.931 -3.037) 5.135 6.301 ( -2.252 -0.793 0.891) 2.549 6.318 ( -0.136 -2.595 -0.654) 2.680 7.039 ( -2.851 4.540 6.939) 8.769 7.097 ( -1.567 -1.455 1.462) 2.591 7.569 ( -2.290 8.532 6.449) 10.938 7.629 ( -1.449 2.965 2.899) 4.392 7.700 ( 0.128 -2.645 0.105) 2.650 7.756 ( 3.902 -3.647 -3.407) 6.335 7.943 ( 0.469 -0.790 0.669) 1.137 8.043 ( 1.179 -8.097 -6.969) 10.748 9.300 ( 0.279 2.081 -0.106) 2.102 9.319 ( 1.312 0.105 -2.112) 2.489 9.977 ( 0.520 3.383 2.609) 4.304 10.018 ( 0.446 0.145 -0.461) 0.658 10.144 ( -0.136 -1.133 -0.232) 1.165 10.177 ( 0.994 -3.618 -2.841) 4.707 10.640 ( -1.438 4.299 3.062) 5.470 10.676 ( -0.404 1.038 -0.091) 1.117 11.027 ( -0.326 2.283 2.137) 3.144 11.079 ( 3.019 -2.704 -2.585) 4.807 12.275 ( -0.433 3.407 2.124) 4.038 12.329 ( -0.158 -1.846 -2.949) 3.482 12.742 ( 0.114 -0.081 0.584) 0.600 12.776 ( -0.498 -3.262 -2.536) 4.162 ======================= Grid point 361 (198/205) ======================= q-point: ( 0.11 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.357 ( 2.014 7.157 -1.731) 7.634 3.403 ( 4.148 2.498 0.985) 4.941 3.581 ( -0.869 10.836 -3.812) 11.520 3.700 ( 4.887 3.168 2.076) 6.183 3.852 ( -0.835 -4.050 -6.288) 7.526 3.894 ( 1.239 -4.339 4.054) 6.066 4.219 ( 1.076 -0.194 2.753) 2.962 4.244 ( 2.218 -2.987 -0.204) 3.726 4.619 ( -10.295 2.510 -0.903) 10.635 4.687 ( -11.032 -4.830 1.317) 12.115 5.041 ( 8.483 6.664 -2.003) 10.972 5.142 ( 9.647 -3.589 -0.639) 10.313 6.253 ( -4.109 0.489 2.908) 5.058 6.300 ( -1.779 -4.229 1.043) 4.704 7.030 ( -3.473 4.944 6.546) 8.908 7.092 ( -0.804 -1.512 3.148) 3.583 7.554 ( -3.488 6.559 4.350) 8.609 7.617 ( -2.659 1.958 3.477) 4.795 7.736 ( 3.707 0.610 -1.782) 4.158 7.812 ( 5.231 -1.763 -4.645) 7.214 7.977 ( 1.551 -3.920 2.280) 4.793 8.035 ( 4.029 -6.790 -6.295) 10.098 9.298 ( 0.018 2.295 -0.869) 2.454 9.322 ( 0.959 -0.109 -2.608) 2.781 9.964 ( -1.971 2.980 -0.539) 3.613 10.015 ( -1.138 -1.844 -0.491) 2.221 10.131 ( 0.843 3.044 -1.120) 3.351 10.215 ( 3.150 -5.036 -1.708) 6.181 10.624 ( -2.781 3.385 3.342) 5.510 10.653 ( -2.173 0.921 0.677) 2.456 11.021 ( -0.810 4.175 -0.440) 4.276 11.101 ( 2.006 -3.667 -4.353) 6.035 12.297 ( 0.559 1.891 2.985) 3.577 12.316 ( 1.046 -0.013 -2.159) 2.399 12.741 ( -0.529 -0.566 0.026) 0.775 12.768 ( 0.632 -3.330 0.269) 3.400 ======================= Grid point 362 (199/205) ======================= q-point: ( 0.22 0.44 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.399 ( 5.664 8.872 -5.341) 11.803 3.478 ( 4.385 0.330 -2.608) 5.113 3.552 ( 0.647 8.435 -4.215) 9.452 3.731 ( 0.752 -9.272 -8.059) 12.308 3.838 ( 1.831 4.746 0.802) 5.150 3.908 ( -2.076 -2.682 2.083) 3.980 4.263 ( -1.115 2.667 4.460) 5.315 4.299 ( 3.493 -1.482 -0.567) 3.836 4.423 ( -8.751 0.037 -1.301) 8.847 4.474 ( -11.026 -5.213 -0.776) 12.221 5.178 ( 7.264 7.727 -1.049) 10.657 5.297 ( 7.237 -4.259 -0.618) 8.420 6.211 ( -3.043 1.674 4.430) 5.629 6.280 ( -1.241 -5.364 1.937) 5.837 7.027 ( -1.759 6.030 5.430) 8.303 7.110 ( -0.903 -2.412 4.738) 5.393 7.518 ( -3.017 6.935 2.724) 8.039 7.592 ( -2.538 1.590 3.274) 4.437 7.779 ( 2.733 0.772 -3.348) 4.391 7.862 ( 3.405 -3.291 -4.415) 6.475 8.033 ( 3.217 -1.978 1.523) 4.072 8.096 ( 6.058 -6.509 -3.991) 9.747 9.289 ( -0.133 2.573 -1.093) 2.799 9.316 ( 0.850 -0.132 -2.870) 2.996 9.919 ( -1.514 2.485 -1.931) 3.493 9.973 ( -2.166 -3.159 -1.055) 3.973 10.145 ( 1.005 5.025 -1.540) 5.351 10.239 ( 0.723 -4.696 -1.829) 5.091 10.599 ( -2.581 2.068 3.538) 4.843 10.616 ( -2.378 0.850 1.498) 2.937 10.995 ( -0.693 5.172 -2.182) 5.656 11.083 ( 0.505 -3.580 -5.667) 6.722 12.333 ( 2.212 1.565 -1.226) 2.974 12.339 ( 0.968 0.993 3.285) 3.566 12.738 ( 0.383 -0.254 0.051) 0.462 12.786 ( 0.116 -4.919 1.886) 5.269 ======================= Grid point 363 (200/205) ======================= q-point: ( 0.33 0.44 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.473 ( 2.774 4.257 -3.521) 6.181 3.499 ( 1.854 1.786 -6.759) 7.233 3.525 ( 3.612 8.333 -9.209) 12.934 3.705 ( 4.664 -8.488 -8.041) 12.588 3.833 ( -4.783 2.014 0.920) 5.271 3.873 ( -3.315 -1.862 3.803) 5.378 4.179 ( -8.889 3.896 4.778) 10.818 4.257 ( -10.411 -3.548 4.762) 11.985 4.355 ( 3.518 -0.441 -2.579) 4.384 4.379 ( 2.145 -2.553 -4.895) 5.923 5.292 ( 4.993 6.722 0.789) 8.411 5.394 ( 3.486 -3.623 -0.339) 5.039 6.216 ( -0.321 1.840 4.462) 4.837 6.286 ( 0.240 -5.314 1.503) 5.528 7.049 ( -0.137 5.560 4.272) 7.013 7.120 ( -2.271 -1.590 4.929) 5.655 7.497 ( -1.458 8.276 3.112) 8.961 7.579 ( -1.452 2.305 2.777) 3.890 7.785 ( 1.128 -0.982 -3.998) 4.269 7.863 ( 0.296 -5.362 -3.890) 6.631 8.113 ( 3.489 -0.249 1.456) 3.788 8.175 ( 5.454 -5.713 -3.948) 8.830 9.278 ( -0.322 3.299 -0.425) 3.342 9.314 ( 1.237 -0.215 -2.563) 2.854 9.885 ( -0.547 1.885 -1.568) 2.512 9.931 ( -1.489 -2.896 -0.723) 3.336 10.136 ( -0.194 4.370 -2.222) 4.906 10.215 ( -1.361 -3.680 -2.247) 4.521 10.583 ( -2.175 1.523 3.167) 4.133 10.593 ( -1.405 0.897 1.617) 2.322 10.967 ( -0.356 4.496 -2.273) 5.050 11.041 ( 0.026 -2.758 -5.795) 6.417 12.373 ( 2.937 2.242 -1.174) 3.877 12.379 ( 0.265 1.806 3.403) 3.861 12.757 ( 1.534 -1.677 0.000) 2.272 12.797 ( -0.751 -5.520 2.280) 6.019 ======================= Grid point 364 (201/205) ======================= q-point: (-0.56 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.396 ( -4.902 2.753 -2.157) 6.022 3.428 ( -1.165 -0.576 -7.641) 7.751 3.624 ( 9.522 6.922 -7.346) 13.876 3.674 ( -9.073 3.307 0.567) 9.673 3.793 ( 4.418 -4.059 -2.078) 6.349 3.809 ( -6.060 -4.378 3.819) 8.395 4.105 ( -3.760 2.224 7.656) 8.814 4.162 ( -3.964 -3.600 5.002) 7.327 4.383 ( 3.046 -0.155 -5.733) 6.494 4.390 ( 3.397 -0.799 -6.013) 6.952 5.371 ( 2.199 4.048 1.984) 5.016 5.423 ( -0.186 -1.168 -0.007) 1.183 6.255 ( 0.969 0.748 3.085) 3.319 6.303 ( 0.842 -4.115 -0.168) 4.203 7.082 ( 0.231 2.915 3.685) 4.704 7.102 ( -3.731 1.055 5.056) 6.371 7.508 ( -1.359 9.477 5.055) 10.827 7.577 ( -0.289 4.284 0.985) 4.405 7.771 ( 0.704 -3.714 -3.000) 4.826 7.820 ( -1.664 -6.221 -3.094) 7.145 8.168 ( 0.929 0.119 1.437) 1.716 8.227 ( 3.165 -5.286 -3.926) 7.306 9.274 ( -0.294 4.200 0.901) 4.305 9.319 ( 1.269 -0.105 -2.498) 2.804 9.879 ( 0.713 0.702 -0.383) 1.072 9.904 ( -1.048 -1.800 -0.414) 2.123 10.117 ( 0.234 2.406 -1.811) 3.020 10.167 ( -0.936 -2.572 -3.466) 4.416 10.568 ( -1.854 2.254 2.914) 4.124 10.587 ( -0.530 0.705 1.286) 1.559 10.948 ( -0.225 3.179 -1.108) 3.374 11.001 ( 0.231 -1.898 -4.796) 5.163 12.396 ( -1.047 3.729 2.738) 4.744 12.417 ( 2.790 1.789 -1.478) 3.629 12.792 ( 0.726 -4.360 0.431) 4.441 12.793 ( 0.213 -4.594 0.866) 4.680 ======================= Grid point 365 (202/205) ======================= q-point: (-0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.308 ( -4.395 4.507 3.741) 7.323 3.380 ( 0.116 -2.916 -1.243) 3.172 3.488 ( -12.291 9.330 5.731) 16.461 3.657 ( -6.012 -7.677 3.024) 10.209 3.773 ( 3.961 5.422 -1.371) 6.854 3.873 ( 3.584 -4.503 -1.109) 5.861 4.147 ( 2.510 -0.038 4.740) 5.363 4.172 ( 1.244 -2.280 3.348) 4.237 4.393 ( 3.835 0.596 -7.731) 8.651 4.406 ( 4.006 -0.620 -7.271) 8.325 5.382 ( -3.623 2.719 1.113) 4.665 5.406 ( -0.959 0.218 1.358) 1.677 6.290 ( 0.892 -0.575 1.043) 1.488 6.311 ( 1.031 -2.591 -2.197) 3.550 7.067 ( -4.304 4.184 5.550) 8.175 7.112 ( -0.262 -0.550 3.949) 3.996 7.501 ( -3.663 10.427 5.223) 12.224 7.591 ( 1.062 4.020 0.408) 4.178 7.766 ( -1.825 -5.853 -1.588) 6.333 7.771 ( 0.509 -5.127 -0.213) 5.157 8.165 ( -2.352 0.523 1.317) 2.746 8.229 ( 0.392 -5.498 -3.670) 6.622 9.277 ( -0.484 4.292 1.362) 4.529 9.318 ( 0.873 0.316 -2.856) 3.003 9.882 ( -0.775 0.053 -0.742) 1.074 9.898 ( 1.033 -1.828 0.357) 2.130 10.114 ( 0.557 2.006 -1.242) 2.424 10.157 ( 3.108 -2.357 -3.065) 4.961 10.562 ( -1.188 3.292 3.113) 4.684 10.595 ( 0.351 0.363 1.133) 1.240 10.940 ( -0.436 2.127 0.452) 2.218 10.975 ( 0.433 -1.227 -3.302) 3.549 12.383 ( -2.133 5.368 1.852) 6.066 12.447 ( 1.762 -0.096 -2.192) 2.814 12.775 ( -1.547 -2.050 1.029) 2.766 12.830 ( 2.355 -6.695 -1.610) 7.277 ======================= Grid point 366 (203/205) ======================= q-point: (-0.33 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.292 ( -5.378 8.850 10.437) 14.703 3.336 ( -7.721 10.960 8.181) 15.706 3.410 ( 1.140 -3.776 4.714) 6.146 3.565 ( -6.216 -10.913 5.592) 13.748 3.832 ( 1.998 3.898 0.923) 4.476 3.900 ( -0.417 -2.945 1.086) 3.166 4.228 ( 3.701 0.369 0.365) 3.737 4.261 ( 3.869 -3.089 3.458) 6.039 4.412 ( 5.733 1.428 -8.997) 10.764 4.435 ( 6.057 -0.749 -8.092) 10.135 5.289 ( -6.881 5.748 0.927) 9.013 5.371 ( -4.395 -2.754 1.838) 5.503 6.299 ( 1.026 -0.571 -2.948) 3.173 6.315 ( 1.112 -2.281 -1.738) 3.076 7.035 ( -3.750 6.357 5.920) 9.462 7.132 ( -1.079 -3.510 4.216) 5.591 7.475 ( -2.661 10.570 4.538) 11.806 7.610 ( 0.230 1.016 1.284) 1.653 7.735 ( -1.101 -3.588 0.364) 3.770 7.777 ( -0.916 -4.825 2.240) 5.398 8.108 ( -4.268 1.464 0.604) 4.553 8.192 ( -0.974 -6.431 -3.863) 7.564 9.276 ( -0.422 3.586 0.894) 3.720 9.309 ( 0.575 0.342 -2.694) 2.776 9.870 ( 0.210 1.367 -0.422) 1.446 9.918 ( 0.822 -3.747 0.604) 3.883 10.129 ( 1.984 4.101 -1.479) 4.790 10.205 ( 3.178 -3.784 -1.506) 5.166 10.574 ( -0.219 4.130 3.237) 5.252 10.617 ( 1.247 -0.016 0.721) 1.441 10.940 ( -0.394 1.878 1.597) 2.497 10.970 ( 1.017 -1.064 -1.016) 1.788 12.350 ( -2.600 6.036 1.123) 6.667 12.445 ( 0.184 -2.662 -2.952) 3.979 12.755 ( -0.917 0.994 0.060) 1.354 12.849 ( 1.440 -7.611 -2.640) 8.184 ======================= Grid point 367 (204/205) ======================= q-point: (-0.22 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.228 ( -6.328 15.401 9.813) 19.327 3.350 ( -3.117 6.031 10.083) 12.156 3.470 ( 0.328 -1.390 5.946) 6.115 3.545 ( -0.910 -10.577 7.735) 13.135 3.851 ( -1.793 2.484 0.804) 3.167 3.896 ( -0.371 -2.328 2.789) 3.652 4.272 ( 0.087 0.489 0.256) 0.559 4.308 ( -0.279 -2.796 -0.001) 2.809 4.489 ( 9.380 2.422 -7.165) 12.049 4.535 ( 10.602 -2.125 -5.417) 12.095 5.149 ( -8.938 7.560 1.462) 11.797 5.271 ( -7.716 -4.858 1.768) 9.287 6.298 ( 1.971 -0.202 -3.806) 4.291 6.321 ( 1.029 -2.480 -1.901) 3.290 7.023 ( -2.526 6.599 5.887) 9.197 7.134 ( -2.022 -4.623 3.622) 6.211 7.485 ( -0.200 10.176 4.903) 11.297 7.627 ( 0.219 0.067 1.981) 1.994 7.719 ( -1.391 -2.528 1.181) 3.118 7.766 ( -2.539 -4.658 3.101) 6.144 8.027 ( -4.100 2.713 -0.735) 4.970 8.140 ( -0.828 -7.921 -4.851) 9.325 9.280 ( 0.081 2.640 0.837) 2.770 9.302 ( 0.905 0.328 -2.210) 2.410 9.886 ( 1.328 2.342 0.725) 2.788 9.947 ( 1.598 -4.039 1.277) 4.528 10.147 ( 0.948 4.443 -1.554) 4.801 10.234 ( 0.723 -4.472 -1.156) 4.675 10.601 ( 0.412 4.517 2.860) 5.362 10.647 ( 1.602 0.005 -0.193) 1.613 10.956 ( 0.624 2.301 2.435) 3.408 10.997 ( 1.724 -1.638 0.907) 2.545 12.310 ( -2.374 5.785 0.877) 6.315 12.411 ( -0.939 -4.004 -3.400) 5.336 12.743 ( -0.208 2.481 -0.562) 2.552 12.841 ( 0.225 -6.997 -3.248) 7.718 ======================= Grid point 368 (205/205) ======================= q-point: (-0.11 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 8.24e-05 8.24e-05 8.24e-05 8.24e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.234 ( -1.051 14.172 8.939) 16.789 3.349 ( -3.123 3.376 6.176) 7.701 3.518 ( 1.055 3.811 3.828) 5.504 3.635 ( 2.136 -9.195 9.095) 13.108 3.788 ( -3.587 7.965 -1.423) 8.851 3.920 ( -0.093 -5.939 2.259) 6.355 4.244 ( -2.021 -0.424 -0.904) 2.255 4.275 ( -1.714 -3.128 -2.316) 4.253 4.641 ( 10.811 3.854 -3.396) 11.969 4.718 ( 11.056 -3.607 -1.128) 11.684 4.988 ( -9.592 7.745 2.140) 12.513 5.122 ( -9.073 -5.622 1.162) 10.737 6.311 ( 1.659 -0.950 -2.332) 3.015 6.322 ( 0.279 -1.941 -1.200) 2.299 7.030 ( -1.845 5.518 6.006) 8.362 7.118 ( -2.084 -3.287 2.324) 4.533 7.534 ( 0.467 9.531 5.684) 11.107 7.638 ( -1.575 2.739 3.113) 4.436 7.708 ( -0.116 -3.363 0.024) 3.365 7.738 ( -1.746 -5.763 1.444) 6.193 7.959 ( -2.008 2.634 -1.169) 3.513 8.087 ( -0.153 -8.825 -6.174) 10.772 9.291 ( 0.402 2.118 0.589) 2.234 9.308 ( 1.370 0.295 -1.858) 2.328 9.928 ( 1.991 3.159 1.934) 4.205 9.993 ( 1.766 -3.102 1.619) 3.919 10.142 ( 0.297 2.736 -1.822) 3.301 10.214 ( -1.531 -4.285 -1.387) 4.757 10.629 ( 0.066 4.569 2.755) 5.336 10.671 ( 1.117 0.589 -0.509) 1.362 10.997 ( 1.076 1.988 3.040) 3.788 11.039 ( 2.237 -2.023 -0.052) 3.016 12.281 ( -1.544 4.836 1.267) 5.232 12.365 ( -0.964 -3.474 -3.393) 4.951 12.739 ( 0.156 1.792 -0.407) 1.844 12.811 ( -0.621 -5.269 -3.197) 6.194 =================== 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 3/26244 10.0 7624.345 6675.330 7175.412 0.000 1805.007 0.000 3/26244 20.0 3573.035 3456.003 3659.622 0.000 234.091 0.000 3/26244 30.0 1313.140 1353.062 1356.674 0.000 -25.814 0.000 3/26244 40.0 656.560 680.571 661.055 0.000 -27.061 0.000 3/26244 50.0 385.912 395.991 381.024 0.000 -19.563 0.000 3/26244 60.0 251.820 254.976 245.334 0.000 -13.912 0.000 3/26244 70.0 177.344 177.406 171.142 0.000 -10.211 0.000 3/26244 80.0 132.364 131.107 126.846 0.000 -7.804 0.000 3/26244 90.0 103.376 101.608 98.556 0.000 -6.198 0.000 3/26244 100.0 83.694 81.781 79.489 0.000 -5.089 0.000 3/26244 110.0 69.742 67.849 66.056 0.000 -4.297 0.000 3/26244 120.0 59.487 57.686 56.234 0.000 -3.711 0.000 3/26244 130.0 51.716 50.033 48.821 0.000 -3.266 0.000 3/26244 140.0 45.669 44.109 43.074 0.000 -2.918 0.000 3/26244 150.0 40.857 39.415 38.514 0.000 -2.639 0.000 3/26244 160.0 36.952 35.619 34.821 0.000 -2.412 0.000 3/26244 170.0 33.727 32.494 31.777 0.000 -2.223 0.000 3/26244 180.0 31.025 29.881 29.230 0.000 -2.063 0.000 3/26244 190.0 28.731 27.667 27.070 0.000 -1.927 0.000 3/26244 200.0 26.760 25.768 25.217 0.000 -1.809 0.000 3/26244 210.0 25.050 24.122 23.609 0.000 -1.705 0.000 3/26244 220.0 23.552 22.682 22.202 0.000 -1.614 0.000 3/26244 230.0 22.229 21.412 20.960 0.000 -1.532 0.000 3/26244 240.0 21.053 20.283 19.855 0.000 -1.459 0.000 3/26244 250.0 20.000 19.272 18.866 0.000 -1.394 0.000 3/26244 260.0 19.052 18.362 17.976 0.000 -1.334 0.000 3/26244 270.0 18.193 17.538 17.169 0.000 -1.279 0.000 3/26244 280.0 17.412 16.789 16.436 0.000 -1.229 0.000 3/26244 290.0 16.698 16.104 15.765 0.000 -1.183 0.000 3/26244 300.0 16.043 15.476 15.150 0.000 -1.141 0.000 3/26244 310.0 15.440 14.897 14.583 0.000 -1.102 0.000 3/26244 320.0 14.882 14.361 14.058 0.000 -1.065 0.000 3/26244 330.0 14.365 13.865 13.572 0.000 -1.031 0.000 3/26244 340.0 13.884 13.404 13.120 0.000 -0.999 0.000 3/26244 350.0 13.435 12.973 12.698 0.000 -0.969 0.000 3/26244 360.0 13.016 12.571 12.304 0.000 -0.941 0.000 3/26244 370.0 12.623 12.193 11.934 0.000 -0.915 0.000 3/26244 380.0 12.254 11.839 11.587 0.000 -0.890 0.000 3/26244 390.0 11.907 11.506 11.260 0.000 -0.866 0.000 3/26244 400.0 11.580 11.191 10.952 0.000 -0.844 0.000 3/26244 410.0 11.270 10.894 10.661 0.000 -0.823 0.000 3/26244 420.0 10.978 10.613 10.386 0.000 -0.803 0.000 3/26244 430.0 10.701 10.346 10.125 0.000 -0.784 0.000 3/26244 440.0 10.438 10.093 9.877 0.000 -0.765 0.000 3/26244 450.0 10.188 9.853 9.641 0.000 -0.748 0.000 3/26244 460.0 9.950 9.624 9.417 0.000 -0.731 0.000 3/26244 470.0 9.723 9.406 9.203 0.000 -0.716 0.000 3/26244 480.0 9.507 9.197 8.999 0.000 -0.701 0.000 3/26244 490.0 9.300 8.999 8.804 0.000 -0.686 0.000 3/26244 500.0 9.102 8.808 8.618 0.000 -0.672 0.000 3/26244 510.0 8.913 8.626 8.439 0.000 -0.659 0.000 3/26244 520.0 8.732 8.452 8.268 0.000 -0.646 0.000 3/26244 530.0 8.558 8.284 8.104 0.000 -0.634 0.000 3/26244 540.0 8.391 8.123 7.947 0.000 -0.622 0.000 3/26244 550.0 8.231 7.969 7.795 0.000 -0.611 0.000 3/26244 560.0 8.077 7.820 7.650 0.000 -0.600 0.000 3/26244 570.0 7.928 7.677 7.510 0.000 -0.589 0.000 3/26244 580.0 7.785 7.539 7.375 0.000 -0.579 0.000 3/26244 590.0 7.648 7.407 7.245 0.000 -0.569 0.000 3/26244 600.0 7.515 7.279 7.119 0.000 -0.559 0.000 3/26244 610.0 7.387 7.155 6.998 0.000 -0.550 0.000 3/26244 620.0 7.263 7.036 6.881 0.000 -0.541 0.000 3/26244 630.0 7.143 6.920 6.768 0.000 -0.533 0.000 3/26244 640.0 7.027 6.808 6.659 0.000 -0.524 0.000 3/26244 650.0 6.915 6.700 6.553 0.000 -0.516 0.000 3/26244 660.0 6.807 6.596 6.451 0.000 -0.508 0.000 3/26244 670.0 6.702 6.495 6.352 0.000 -0.501 0.000 3/26244 680.0 6.600 6.396 6.255 0.000 -0.493 0.000 3/26244 690.0 6.502 6.301 6.162 0.000 -0.486 0.000 3/26244 700.0 6.406 6.209 6.072 0.000 -0.479 0.000 3/26244 710.0 6.313 6.119 5.984 0.000 -0.473 0.000 3/26244 720.0 6.223 6.032 5.899 0.000 -0.466 0.000 3/26244 730.0 6.136 5.947 5.816 0.000 -0.460 0.000 3/26244 740.0 6.050 5.865 5.735 0.000 -0.454 0.000 3/26244 750.0 5.968 5.785 5.657 0.000 -0.447 0.000 3/26244 760.0 5.887 5.708 5.581 0.000 -0.442 0.000 3/26244 770.0 5.809 5.632 5.507 0.000 -0.436 0.000 3/26244 780.0 5.733 5.558 5.435 0.000 -0.430 0.000 3/26244 790.0 5.658 5.487 5.365 0.000 -0.425 0.000 3/26244 800.0 5.586 5.417 5.296 0.000 -0.420 0.000 3/26244 810.0 5.516 5.349 5.230 0.000 -0.414 0.000 3/26244 820.0 5.447 5.282 5.165 0.000 -0.409 0.000 3/26244 830.0 5.380 5.217 5.101 0.000 -0.404 0.000 3/26244 840.0 5.315 5.154 5.039 0.000 -0.400 0.000 3/26244 850.0 5.251 5.093 4.979 0.000 -0.395 0.000 3/26244 860.0 5.189 5.032 4.920 0.000 -0.390 0.000 3/26244 870.0 5.128 4.974 4.863 0.000 -0.386 0.000 3/26244 880.0 5.069 4.916 4.807 0.000 -0.382 0.000 3/26244 890.0 5.011 4.860 4.752 0.000 -0.377 0.000 3/26244 900.0 4.954 4.806 4.698 0.000 -0.373 0.000 3/26244 910.0 4.899 4.752 4.646 0.000 -0.369 0.000 3/26244 920.0 4.845 4.700 4.595 0.000 -0.365 0.000 3/26244 930.0 4.792 4.649 4.544 0.000 -0.361 0.000 3/26244 940.0 4.740 4.598 4.495 0.000 -0.357 0.000 3/26244 950.0 4.689 4.550 4.448 0.000 -0.354 0.000 3/26244 960.0 4.640 4.502 4.401 0.000 -0.350 0.000 3/26244 970.0 4.591 4.455 4.355 0.000 -0.346 0.000 3/26244 980.0 4.544 4.409 4.310 0.000 -0.343 0.000 3/26244 990.0 4.497 4.364 4.266 0.000 -0.339 0.000 3/26244 1000.0 4.452 4.320 4.222 0.000 -0.336 0.000 3/26244 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:41:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|