----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:20:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.261165190000176 -3.623174175000000 0.000000000000000 b 6.261165190000176 3.623174175000000 0.000000000000000 c -4.093688707244279 0.000000000000000 10.474869854195351 Atomic positions (fractional): *1 O 0.34665737144104 0.65334262855896 0.75000000000000 15.999 2 O 0.65334262855896 0.34665737144104 0.25000000000000 15.999 *3 O 0.98970845089346 0.11230197474008 0.90050089273405 15.999 4 O 0.88769802525992 0.01029154910654 0.59949910726595 15.999 5 O 0.01029154910654 0.88769802525992 0.09949910726595 15.999 6 O 0.11230197474008 0.98970845089346 0.40050089273405 15.999 *7 O 0.81884670105292 0.41711360967140 0.74876776798103 15.999 8 O 0.58288639032860 0.18115329894708 0.75123223201897 15.999 9 O 0.18115329894708 0.58288639032860 0.25123223201897 15.999 10 O 0.41711360967140 0.81884670105292 0.24876776798103 15.999 *11 O 0.63196872838090 0.82405553524474 0.89636277089220 15.999 12 O 0.17594446475526 0.36803127161910 0.60363722910780 15.999 *13 O 0.71831973037796 0.53144919353640 0.09411345919435 15.999 14 O 0.46855080646360 0.28168026962204 0.40588654080565 15.999 15 O 0.28168026962204 0.46855080646360 0.90588654080565 15.999 16 O 0.53144919353640 0.71831973037796 0.59411345919435 15.999 17 O 0.82405553524474 0.63196872838090 0.39636277089220 15.999 18 O 0.36803127161910 0.17594446475526 0.10363722910780 15.999 *19 Ge 0.84468013013543 0.15531986986457 0.75000000000000 72.640 20 Ge 0.15531986986457 0.84468013013543 0.25000000000000 72.640 *21 Ge 0.58210072099905 0.67829059187924 0.74664585686496 72.640 22 Ge 0.32170940812076 0.41789927900095 0.75335414313504 72.640 23 Ge 0.41789927900095 0.32170940812076 0.25335414313504 72.640 24 Ge 0.67829059187924 0.58210072099905 0.24664585686497 72.640 *25 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 26 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 *27 Sr 0.32990649219895 0.84117121549791 0.99939683946256 87.620 28 Sr 0.15882878450209 0.67009350780105 0.50060316053744 87.620 29 Sr 0.67009350780105 0.15882878450209 0.00060316053744 87.620 30 Sr 0.84117121549791 0.32990649219895 0.49939683946256 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.522330380000351 0.000000000000000 0.000000000000000 b 0.000000000000000 7.246348350000000 0.000000000000000 c -4.093688707244279 0.000000000000000 10.474869854195351 Atomic positions (fractional): *1 O 0.50000000000000 0.15334262855896 0.75000000000000 15.999 > 1 2 O 0.50000000000000 0.84665737144104 0.25000000000000 15.999 > 2 *3 O 0.55100521281677 0.56129676192331 0.90050089273405 15.999 > 3 4 O 0.44899478718323 0.56129676192331 0.59949910726595 15.999 > 4 5 O 0.44899478718323 0.43870323807669 0.09949910726595 15.999 > 5 6 O 0.55100521281677 0.43870323807669 0.40050089273405 15.999 > 6 *7 O 0.61798015536216 0.79913345430924 0.74876776798103 15.999 > 7 8 O 0.38201984463784 0.79913345430924 0.75123223201897 15.999 > 8 9 O 0.38201984463784 0.20086654569076 0.25123223201897 15.999 > 9 10 O 0.61798015536216 0.20086654569076 0.24876776798103 15.999 > 10 *11 O 0.72801213181282 0.09604340343192 0.89636277089220 15.999 > 11 12 O 0.27198786818718 0.09604340343192 0.60363722910780 15.999 > 12 *13 O 0.62488446195718 0.90656473157922 0.09411345919435 15.999 > 13 14 O 0.37511553804282 0.90656473157922 0.40588654080565 15.999 > 14 15 O 0.37511553804282 0.09343526842078 0.90588654080565 15.999 > 15 16 O 0.62488446195718 0.09343526842078 0.59411345919435 15.999 > 16 17 O 0.72801213181282 0.90395659656808 0.39636277089220 15.999 > 17 18 O 0.27198786818718 0.90395659656808 0.10363722910780 15.999 > 18 19 O 0.00000000000000 0.65334262855896 0.75000000000000 15.999 > 1 20 O 0.00000000000000 0.34665737144104 0.25000000000000 15.999 > 2 21 O 0.05100521281677 0.06129676192331 0.90050089273405 15.999 > 3 22 O 0.94899478718323 0.06129676192331 0.59949910726595 15.999 > 4 23 O 0.94899478718323 0.93870323807669 0.09949910726595 15.999 > 5 24 O 0.05100521281677 0.93870323807669 0.40050089273405 15.999 > 6 25 O 0.11798015536216 0.29913345430924 0.74876776798103 15.999 > 7 26 O 0.88201984463784 0.29913345430924 0.75123223201897 15.999 > 8 27 O 0.88201984463784 0.70086654569076 0.25123223201897 15.999 > 9 28 O 0.11798015536216 0.70086654569076 0.24876776798103 15.999 > 10 29 O 0.22801213181282 0.59604340343192 0.89636277089220 15.999 > 11 30 O 0.77198786818718 0.59604340343192 0.60363722910780 15.999 > 12 31 O 0.12488446195718 0.40656473157922 0.09411345919435 15.999 > 13 32 O 0.87511553804282 0.40656473157922 0.40588654080565 15.999 > 14 33 O 0.87511553804282 0.59343526842078 0.90588654080565 15.999 > 15 34 O 0.12488446195718 0.59343526842078 0.59411345919435 15.999 > 16 35 O 0.22801213181282 0.40395659656808 0.39636277089220 15.999 > 17 36 O 0.77198786818718 0.40395659656808 0.10363722910780 15.999 > 18 *37 Ge 0.50000000000000 0.65531986986457 0.75000000000000 72.640 > 19 38 Ge 0.50000000000000 0.34468013013543 0.25000000000000 72.640 > 20 *39 Ge 0.63019565643914 0.04809493544010 0.74664585686496 72.640 > 21 40 Ge 0.36980434356086 0.04809493544010 0.75335414313504 72.640 > 22 41 Ge 0.36980434356086 0.95190506455990 0.25335414313504 72.640 > 23 42 Ge 0.63019565643914 0.95190506455990 0.24664585686497 72.640 > 24 43 Ge 0.00000000000000 0.15531986986457 0.75000000000000 72.640 > 19 44 Ge 0.00000000000000 0.84468013013543 0.25000000000000 72.640 > 20 45 Ge 0.13019565643914 0.54809493544010 0.74664585686496 72.640 > 21 46 Ge 0.86980434356086 0.54809493544010 0.75335414313504 72.640 > 22 47 Ge 0.86980434356086 0.45190506455990 0.25335414313504 72.640 > 23 48 Ge 0.13019565643914 0.45190506455990 0.24664585686497 72.640 > 24 *49 Sr 0.75000000000000 0.25000000000000 0.50000000000000 87.620 > 25 50 Sr 0.75000000000000 0.75000000000000 0.00000000000000 87.620 > 26 *51 Sr 0.58553885384843 0.25563236164948 0.99939683946256 87.620 > 27 52 Sr 0.41446114615157 0.25563236164948 0.50060316053744 87.620 > 28 53 Sr 0.41446114615157 0.74436763835052 0.00060316053744 87.620 > 29 54 Sr 0.58553885384843 0.74436763835052 0.49939683946256 87.620 > 30 55 Sr 0.25000000000000 0.75000000000000 0.50000000000000 87.620 > 25 56 Sr 0.25000000000000 0.25000000000000 0.00000000000000 87.620 > 26 57 Sr 0.08553885384843 0.75563236164948 0.99939683946256 87.620 > 27 58 Sr 0.91446114615157 0.75563236164948 0.50060316053744 87.620 > 28 59 Sr 0.91446114615157 0.24436763835052 0.00060316053744 87.620 > 29 60 Sr 0.08553885384843 0.24436763835052 0.49939683946256 87.620 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.522330380000351 0.000000000000000 0.000000000000000 b 0.000000000000000 14.492696700000000 0.000000000000000 c -4.093688707244279 0.000000000000000 10.474869854195351 Atomic positions (fractional): *1 O 0.50000000000000 0.07667131427948 0.75000000000000 15.999 > 1 2 O 0.50000000000000 0.57667131427948 0.75000000000000 15.999 > 1 3 O 0.50000000000000 0.42332868572052 0.25000000000000 15.999 > 2 4 O 0.50000000000000 0.92332868572052 0.25000000000000 15.999 > 2 *5 O 0.55100521281677 0.28064838096166 0.90050089273405 15.999 > 3 6 O 0.55100521281677 0.78064838096166 0.90050089273405 15.999 > 3 7 O 0.44899478718323 0.28064838096166 0.59949910726595 15.999 > 4 8 O 0.44899478718323 0.78064838096166 0.59949910726595 15.999 > 4 9 O 0.44899478718323 0.21935161903834 0.09949910726595 15.999 > 5 10 O 0.44899478718323 0.71935161903834 0.09949910726595 15.999 > 5 11 O 0.55100521281677 0.21935161903834 0.40050089273405 15.999 > 6 12 O 0.55100521281677 0.71935161903834 0.40050089273405 15.999 > 6 *13 O 0.61798015536216 0.39956672715462 0.74876776798103 15.999 > 7 14 O 0.61798015536216 0.89956672715462 0.74876776798103 15.999 > 7 15 O 0.38201984463784 0.39956672715462 0.75123223201897 15.999 > 8 16 O 0.38201984463784 0.89956672715462 0.75123223201897 15.999 > 8 17 O 0.38201984463784 0.10043327284538 0.25123223201897 15.999 > 9 18 O 0.38201984463784 0.60043327284538 0.25123223201897 15.999 > 9 19 O 0.61798015536216 0.10043327284538 0.24876776798103 15.999 > 10 20 O 0.61798015536216 0.60043327284538 0.24876776798103 15.999 > 10 *21 O 0.72801213181282 0.04802170171596 0.89636277089220 15.999 > 11 22 O 0.72801213181282 0.54802170171596 0.89636277089220 15.999 > 11 23 O 0.27198786818718 0.04802170171596 0.60363722910780 15.999 > 12 24 O 0.27198786818718 0.54802170171596 0.60363722910780 15.999 > 12 *25 O 0.62488446195718 0.45328236578961 0.09411345919435 15.999 > 13 26 O 0.62488446195718 0.95328236578961 0.09411345919435 15.999 > 13 27 O 0.37511553804282 0.45328236578961 0.40588654080565 15.999 > 14 28 O 0.37511553804282 0.95328236578961 0.40588654080565 15.999 > 14 29 O 0.37511553804282 0.04671763421039 0.90588654080565 15.999 > 15 30 O 0.37511553804282 0.54671763421039 0.90588654080565 15.999 > 15 31 O 0.62488446195718 0.04671763421039 0.59411345919435 15.999 > 16 32 O 0.62488446195718 0.54671763421039 0.59411345919435 15.999 > 16 33 O 0.72801213181282 0.45197829828404 0.39636277089220 15.999 > 17 34 O 0.72801213181282 0.95197829828404 0.39636277089220 15.999 > 17 35 O 0.27198786818718 0.45197829828404 0.10363722910780 15.999 > 18 36 O 0.27198786818718 0.95197829828404 0.10363722910780 15.999 > 18 37 O 0.00000000000000 0.32667131427948 0.75000000000000 15.999 > 1 38 O 0.00000000000000 0.82667131427948 0.75000000000000 15.999 > 1 39 O 0.00000000000000 0.17332868572052 0.25000000000000 15.999 > 2 40 O 0.00000000000000 0.67332868572052 0.25000000000000 15.999 > 2 41 O 0.05100521281677 0.03064838096166 0.90050089273405 15.999 > 3 42 O 0.05100521281677 0.53064838096166 0.90050089273405 15.999 > 3 43 O 0.94899478718323 0.03064838096166 0.59949910726595 15.999 > 4 44 O 0.94899478718323 0.53064838096166 0.59949910726595 15.999 > 4 45 O 0.94899478718323 0.46935161903834 0.09949910726595 15.999 > 5 46 O 0.94899478718323 0.96935161903834 0.09949910726595 15.999 > 5 47 O 0.05100521281677 0.46935161903834 0.40050089273405 15.999 > 6 48 O 0.05100521281677 0.96935161903834 0.40050089273405 15.999 > 6 49 O 0.11798015536216 0.14956672715462 0.74876776798103 15.999 > 7 50 O 0.11798015536216 0.64956672715462 0.74876776798103 15.999 > 7 51 O 0.88201984463784 0.14956672715462 0.75123223201897 15.999 > 8 52 O 0.88201984463784 0.64956672715462 0.75123223201897 15.999 > 8 53 O 0.88201984463784 0.35043327284538 0.25123223201897 15.999 > 9 54 O 0.88201984463784 0.85043327284538 0.25123223201897 15.999 > 9 55 O 0.11798015536216 0.35043327284538 0.24876776798103 15.999 > 10 56 O 0.11798015536216 0.85043327284538 0.24876776798103 15.999 > 10 57 O 0.22801213181282 0.29802170171596 0.89636277089220 15.999 > 11 58 O 0.22801213181282 0.79802170171596 0.89636277089220 15.999 > 11 59 O 0.77198786818718 0.29802170171596 0.60363722910780 15.999 > 12 60 O 0.77198786818718 0.79802170171596 0.60363722910780 15.999 > 12 61 O 0.12488446195718 0.20328236578961 0.09411345919435 15.999 > 13 62 O 0.12488446195718 0.70328236578961 0.09411345919435 15.999 > 13 63 O 0.87511553804282 0.20328236578961 0.40588654080565 15.999 > 14 64 O 0.87511553804282 0.70328236578961 0.40588654080565 15.999 > 14 65 O 0.87511553804282 0.29671763421039 0.90588654080565 15.999 > 15 66 O 0.87511553804282 0.79671763421039 0.90588654080565 15.999 > 15 67 O 0.12488446195718 0.29671763421039 0.59411345919435 15.999 > 16 68 O 0.12488446195718 0.79671763421039 0.59411345919435 15.999 > 16 69 O 0.22801213181282 0.20197829828404 0.39636277089220 15.999 > 17 70 O 0.22801213181282 0.70197829828404 0.39636277089220 15.999 > 17 71 O 0.77198786818718 0.20197829828404 0.10363722910780 15.999 > 18 72 O 0.77198786818718 0.70197829828404 0.10363722910780 15.999 > 18 *73 Ge 0.50000000000000 0.32765993493229 0.75000000000000 72.640 > 19 74 Ge 0.50000000000000 0.82765993493229 0.75000000000000 72.640 > 19 75 Ge 0.50000000000000 0.17234006506771 0.25000000000000 72.640 > 20 76 Ge 0.50000000000000 0.67234006506771 0.25000000000000 72.640 > 20 *77 Ge 0.63019565643914 0.02404746772005 0.74664585686496 72.640 > 21 78 Ge 0.63019565643914 0.52404746772005 0.74664585686496 72.640 > 21 79 Ge 0.36980434356086 0.02404746772005 0.75335414313504 72.640 > 22 80 Ge 0.36980434356086 0.52404746772005 0.75335414313504 72.640 > 22 81 Ge 0.36980434356086 0.47595253227995 0.25335414313504 72.640 > 23 82 Ge 0.36980434356086 0.97595253227995 0.25335414313504 72.640 > 23 83 Ge 0.63019565643914 0.47595253227995 0.24664585686497 72.640 > 24 84 Ge 0.63019565643914 0.97595253227995 0.24664585686497 72.640 > 24 85 Ge 0.00000000000000 0.07765993493229 0.75000000000000 72.640 > 19 86 Ge 0.00000000000000 0.57765993493229 0.75000000000000 72.640 > 19 87 Ge 0.00000000000000 0.42234006506771 0.25000000000000 72.640 > 20 88 Ge 0.00000000000000 0.92234006506771 0.25000000000000 72.640 > 20 89 Ge 0.13019565643914 0.27404746772005 0.74664585686496 72.640 > 21 90 Ge 0.13019565643914 0.77404746772005 0.74664585686496 72.640 > 21 91 Ge 0.86980434356086 0.27404746772005 0.75335414313504 72.640 > 22 92 Ge 0.86980434356086 0.77404746772005 0.75335414313504 72.640 > 22 93 Ge 0.86980434356086 0.22595253227995 0.25335414313504 72.640 > 23 94 Ge 0.86980434356086 0.72595253227995 0.25335414313504 72.640 > 23 95 Ge 0.13019565643914 0.22595253227995 0.24664585686497 72.640 > 24 96 Ge 0.13019565643914 0.72595253227995 0.24664585686497 72.640 > 24 *97 Sr 0.75000000000000 0.12500000000000 0.50000000000000 87.620 > 25 98 Sr 0.75000000000000 0.62500000000000 0.50000000000000 87.620 > 25 99 Sr 0.75000000000000 0.37500000000000 0.00000000000000 87.620 > 26 100 Sr 0.75000000000000 0.87500000000000 0.00000000000000 87.620 > 26 *101 Sr 0.58553885384843 0.12781618082474 0.99939683946256 87.620 > 27 102 Sr 0.58553885384843 0.62781618082474 0.99939683946256 87.620 > 27 103 Sr 0.41446114615157 0.12781618082474 0.50060316053744 87.620 > 28 104 Sr 0.41446114615157 0.62781618082474 0.50060316053744 87.620 > 28 105 Sr 0.41446114615157 0.37218381917526 0.00060316053744 87.620 > 29 106 Sr 0.41446114615157 0.87218381917526 0.00060316053744 87.620 > 29 107 Sr 0.58553885384843 0.37218381917526 0.49939683946256 87.620 > 30 108 Sr 0.58553885384843 0.87218381917526 0.49939683946256 87.620 > 30 109 Sr 0.25000000000000 0.37500000000000 0.50000000000000 87.620 > 25 110 Sr 0.25000000000000 0.87500000000000 0.50000000000000 87.620 > 25 111 Sr 0.25000000000000 0.12500000000000 0.00000000000000 87.620 > 26 112 Sr 0.25000000000000 0.62500000000000 0.00000000000000 87.620 > 26 113 Sr 0.08553885384843 0.37781618082474 0.99939683946256 87.620 > 27 114 Sr 0.08553885384843 0.87781618082474 0.99939683946256 87.620 > 27 115 Sr 0.91446114615157 0.37781618082474 0.50060316053744 87.620 > 28 116 Sr 0.91446114615157 0.87781618082474 0.50060316053744 87.620 > 28 117 Sr 0.91446114615157 0.12218381917526 0.00060316053744 87.620 > 29 118 Sr 0.91446114615157 0.62218381917526 0.00060316053744 87.620 > 29 119 Sr 0.08553885384843 0.12218381917526 0.49939683946256 87.620 > 30 120 Sr 0.08553885384843 0.62218381917526 0.49939683946256 87.620 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0006040 0.0000000 0.0060987 0.0000000 3.0009274 0.0000000 0.0061170 0.0000000 3.2719825 -------------------------- Born effective charges -------------------------- 1 O -2.7012510 0.0000000 0.0303911 0.0000000 -1.2505751 0.0000000 0.0203123 0.0000000 -1.5287528 2 O -2.7012510 0.0000000 0.0303911 0.0000000 -1.2505751 0.0000000 0.0203123 0.0000000 -1.5287528 3 O -1.4165347 0.0215361 -0.0144725 -0.0109303 -1.9160947 0.5760259 -0.0147041 0.3567920 -2.0399044 4 O -1.4165347 -0.0215361 -0.0144725 0.0109303 -1.9160947 -0.5760259 -0.0147041 -0.3567920 -2.0399044 5 O -1.4165347 0.0215361 -0.0144725 -0.0109303 -1.9160947 0.5760259 -0.0147041 0.3567920 -2.0399044 6 O -1.4165347 -0.0215361 -0.0144725 0.0109303 -1.9160947 -0.5760259 -0.0147041 -0.3567920 -2.0399044 7 O -1.6183433 -0.6309381 0.0070325 -0.6278794 -2.3434745 0.0130809 0.0060354 0.0121706 -1.5307238 8 O -1.6183433 0.6309381 0.0070325 0.6278794 -2.3434745 -0.0130809 0.0060354 -0.0121706 -1.5307238 9 O -1.6183433 -0.6309381 0.0070325 -0.6278794 -2.3434745 0.0130809 0.0060354 0.0121706 -1.5307238 10 O -1.6183433 0.6309381 0.0070325 0.6278794 -2.3434745 -0.0130809 0.0060354 -0.0121706 -1.5307238 11 O -1.7936659 -0.2402640 -0.5148221 -0.2028547 -1.5294046 -0.2967566 -0.3145947 -0.1829622 -2.0475814 12 O -1.7936659 0.2402640 -0.5148221 0.2028547 -1.5294046 0.2967566 -0.3145947 0.1829622 -2.0475814 13 O -1.7590207 0.2081713 0.4963020 0.2075483 -1.5237736 -0.2876407 0.3031854 -0.1776696 -2.1172508 14 O -1.7590207 -0.2081713 0.4963020 -0.2075483 -1.5237736 0.2876407 0.3031854 0.1776696 -2.1172508 15 O -1.7590207 0.2081713 0.4963020 0.2075483 -1.5237736 -0.2876407 0.3031854 -0.1776696 -2.1172508 16 O -1.7590207 -0.2081713 0.4963020 -0.2075483 -1.5237736 0.2876407 0.3031854 0.1776696 -2.1172508 17 O -1.7936659 0.2402640 -0.5148221 0.2028547 -1.5294046 0.2967566 -0.3145947 0.1829622 -2.0475814 18 O -1.7936659 -0.2402640 -0.5148221 -0.2028547 -1.5294046 -0.2967566 -0.3145947 -0.1829622 -2.0475814 19 Ge 2.7010783 0.0000000 -0.0025870 0.0000000 2.9389795 0.0000000 -0.0005579 0.0000000 3.0851772 20 Ge 2.7010783 0.0000000 -0.0025870 0.0000000 2.9389795 0.0000000 -0.0005579 0.0000000 3.0851772 21 Ge 2.8724969 0.0938752 -0.0193498 0.0923960 2.7607866 0.0016976 -0.0138179 -0.0026832 3.1014337 22 Ge 2.8724969 -0.0938752 -0.0193498 -0.0923960 2.7607866 -0.0016976 -0.0138179 0.0026832 3.1014337 23 Ge 2.8724969 0.0938752 -0.0193498 0.0923960 2.7607866 0.0016976 -0.0138179 -0.0026832 3.1014337 24 Ge 2.8724969 -0.0938752 -0.0193498 -0.0923960 2.7607866 -0.0016976 -0.0138179 0.0026832 3.1014337 25 Sr 2.6863813 0.3249171 0.1300162 0.3308213 2.2788761 0.0675041 -0.0651625 -0.0518048 2.5607167 26 Sr 2.6863813 -0.3249171 0.1300162 -0.3308213 2.2788761 -0.0675041 -0.0651625 0.0518048 2.5607167 27 Sr 2.3719635 0.1648176 -0.0336003 0.1648490 2.5683205 0.0301909 0.0566000 -0.0254269 2.5754563 28 Sr 2.3719635 -0.1648176 -0.0336003 -0.1648490 2.5683205 -0.0301909 0.0566000 0.0254269 2.5754563 29 Sr 2.3719635 0.1648176 -0.0336003 0.1648490 2.5683205 0.0301909 0.0566000 -0.0254269 2.5754563 30 Sr 2.3719635 -0.1648176 -0.0336003 -0.1648490 2.5683205 -0.0301909 0.0566000 0.0254269 2.5754563 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 19854/19854 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4202 Number of blocks in projector: 4202 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: 918 Use submatrix version of eigh solver. (1) Block: 500 / 918 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 918 / 918 (1) 405 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 886 Use submatrix version of eigh solver. (1) Block: 500 / 886 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 886 / 886 (1) 372 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 886 Use submatrix version of eigh solver. (1) Block: 500 / 886 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 886 / 886 (1) 372 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 241 eigenvectors found. (2) Block: 504 / 504 (2) 246 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 495 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 241 eigenvectors found. (2) Block: 504 / 504 (2) 246 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 495 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 241 eigenvectors found. (2) Block: 504 / 504 (2) 246 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 495 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4202, 4130), data: False |-- (504, 495), data: False |-- (504, 495), data: False |-- (504, 8), data: (504, 17) @ (17, 8) |-- (254, 246), data: True |-- (250, 241), data: True |-- (504, 495), data: False |-- (504, 495), data: False |-- (504, 8), data: (504, 17) @ (17, 8) |-- (254, 246), data: True |-- (250, 241), data: True |-- (504, 495), data: False |-- (504, 495), data: False |-- (504, 8), data: (504, 17) @ (17, 8) |-- (254, 246), data: True |-- (250, 241), data: True |-- (886, 872), data: False |-- (886, 14), data: (886, 28) @ (28, 14) |-- (386, 372), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (886, 872), data: False |-- (886, 14), data: (886, 28) @ (28, 14) |-- (386, 372), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (918, 901), data: False |-- (918, 13), data: (918, 30) @ (30, 13) |-- (418, 405), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.052 Solver_block: 200 / 960 - Time: 0.924 Solver_block: 300 / 960 - Time: 0.909 Solver_block: 400 / 960 - Time: 0.910 Solver_block: 500 / 960 - Time: 0.908 Solver_block: 600 / 960 - Time: 0.918 Solver_block: 700 / 960 - Time: 0.907 Solver_block: 800 / 960 - Time: 0.905 Solver_block: 900 / 960 - Time: 0.909 Solver_block: 960 / 960 - Time: 0.641 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.225 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 19854/19854 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4202 Number of blocks in projector: 4202 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: 918 Use submatrix version of eigh solver. (1) Block: 500 / 918 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 918 / 918 (1) 405 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 886 Use submatrix version of eigh solver. (1) Block: 500 / 886 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 886 / 886 (1) 372 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 886 Use submatrix version of eigh solver. (1) Block: 500 / 886 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 886 / 886 (1) 372 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 241 eigenvectors found. (2) Block: 504 / 504 (2) 246 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 495 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 241 eigenvectors found. (2) Block: 504 / 504 (2) 246 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 495 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 241 eigenvectors found. (2) Block: 504 / 504 (2) 246 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 495 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4202, 4130), data: False |-- (504, 495), data: False |-- (504, 495), data: False |-- (504, 8), data: (504, 17) @ (17, 8) |-- (254, 246), data: True |-- (250, 241), data: True |-- (504, 495), data: False |-- (504, 495), data: False |-- (504, 8), data: (504, 17) @ (17, 8) |-- (254, 246), data: True |-- (250, 241), data: True |-- (504, 495), data: False |-- (504, 495), data: False |-- (504, 8), data: (504, 17) @ (17, 8) |-- (254, 246), data: True |-- (250, 241), data: True |-- (886, 872), data: False |-- (886, 14), data: (886, 28) @ (28, 14) |-- (386, 372), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (886, 872), data: False |-- (886, 14), data: (886, 28) @ (28, 14) |-- (386, 372), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (918, 901), data: False |-- (918, 13), data: (918, 30) @ (30, 13) |-- (418, 405), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), 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 03:21:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:21:13]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.261165190000176 -3.623174175000000 0.000000000000000 b 6.261165190000176 3.623174175000000 0.000000000000000 c -4.093688707244279 0.000000000000000 10.474869854195351 Atomic positions (fractional): 1 O 0.34665737144104 0.65334262855896 0.75000000000000 15.999 2 O 0.65334262855896 0.34665737144104 0.25000000000000 15.999 3 O 0.98970845089346 0.11230197474008 0.90050089273405 15.999 4 O 0.88769802525992 0.01029154910654 0.59949910726595 15.999 5 O 0.01029154910654 0.88769802525992 0.09949910726595 15.999 6 O 0.11230197474008 0.98970845089346 0.40050089273405 15.999 7 O 0.81884670105292 0.41711360967140 0.74876776798103 15.999 8 O 0.58288639032860 0.18115329894708 0.75123223201897 15.999 9 O 0.18115329894708 0.58288639032860 0.25123223201897 15.999 10 O 0.41711360967140 0.81884670105292 0.24876776798103 15.999 11 O 0.63196872838090 0.82405553524474 0.89636277089220 15.999 12 O 0.17594446475526 0.36803127161910 0.60363722910780 15.999 13 O 0.71831973037796 0.53144919353640 0.09411345919435 15.999 14 O 0.46855080646360 0.28168026962204 0.40588654080565 15.999 15 O 0.28168026962204 0.46855080646360 0.90588654080565 15.999 16 O 0.53144919353640 0.71831973037796 0.59411345919435 15.999 17 O 0.82405553524474 0.63196872838090 0.39636277089220 15.999 18 O 0.36803127161910 0.17594446475526 0.10363722910780 15.999 19 Ge 0.84468013013543 0.15531986986457 0.75000000000000 72.640 20 Ge 0.15531986986457 0.84468013013543 0.25000000000000 72.640 21 Ge 0.58210072099905 0.67829059187924 0.74664585686496 72.640 22 Ge 0.32170940812076 0.41789927900095 0.75335414313504 72.640 23 Ge 0.41789927900095 0.32170940812076 0.25335414313504 72.640 24 Ge 0.67829059187924 0.58210072099905 0.24664585686497 72.640 25 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 26 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 27 Sr 0.32990649219895 0.84117121549791 0.99939683946256 87.620 28 Sr 0.15882878450209 0.67009350780105 0.50060316053744 87.620 29 Sr 0.67009350780105 0.15882878450209 0.00060316053744 87.620 30 Sr 0.84117121549791 0.32990649219895 0.49939683946256 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.522330380000351 0.000000000000000 0.000000000000000 b 0.000000000000000 14.492696700000000 0.000000000000000 c -4.093688707244279 0.000000000000000 10.474869854195351 Atomic positions (fractional): 1 O 0.50000000000000 0.07667131427948 0.75000000000000 15.999 > 1 2 O 0.50000000000000 0.57667131427948 0.75000000000000 15.999 > 1 3 O 0.50000000000000 0.42332868572052 0.25000000000000 15.999 > 3 4 O 0.50000000000000 0.92332868572052 0.25000000000000 15.999 > 3 5 O 0.55100521281677 0.28064838096166 0.90050089273405 15.999 > 5 6 O 0.55100521281677 0.78064838096166 0.90050089273405 15.999 > 5 7 O 0.44899478718323 0.28064838096166 0.59949910726595 15.999 > 7 8 O 0.44899478718323 0.78064838096166 0.59949910726595 15.999 > 7 9 O 0.44899478718323 0.21935161903834 0.09949910726595 15.999 > 9 10 O 0.44899478718323 0.71935161903834 0.09949910726595 15.999 > 9 11 O 0.55100521281677 0.21935161903834 0.40050089273405 15.999 > 11 12 O 0.55100521281677 0.71935161903834 0.40050089273405 15.999 > 11 13 O 0.61798015536216 0.39956672715462 0.74876776798103 15.999 > 13 14 O 0.61798015536216 0.89956672715462 0.74876776798103 15.999 > 13 15 O 0.38201984463784 0.39956672715462 0.75123223201897 15.999 > 15 16 O 0.38201984463784 0.89956672715462 0.75123223201897 15.999 > 15 17 O 0.38201984463784 0.10043327284538 0.25123223201897 15.999 > 17 18 O 0.38201984463784 0.60043327284538 0.25123223201897 15.999 > 17 19 O 0.61798015536216 0.10043327284538 0.24876776798103 15.999 > 19 20 O 0.61798015536216 0.60043327284538 0.24876776798103 15.999 > 19 21 O 0.72801213181282 0.04802170171596 0.89636277089220 15.999 > 21 22 O 0.72801213181282 0.54802170171596 0.89636277089220 15.999 > 21 23 O 0.27198786818718 0.04802170171596 0.60363722910780 15.999 > 23 24 O 0.27198786818718 0.54802170171596 0.60363722910780 15.999 > 23 25 O 0.62488446195718 0.45328236578961 0.09411345919435 15.999 > 25 26 O 0.62488446195718 0.95328236578961 0.09411345919435 15.999 > 25 27 O 0.37511553804282 0.45328236578961 0.40588654080565 15.999 > 27 28 O 0.37511553804282 0.95328236578961 0.40588654080565 15.999 > 27 29 O 0.37511553804282 0.04671763421039 0.90588654080565 15.999 > 29 30 O 0.37511553804282 0.54671763421039 0.90588654080565 15.999 > 29 31 O 0.62488446195718 0.04671763421039 0.59411345919435 15.999 > 31 32 O 0.62488446195718 0.54671763421039 0.59411345919435 15.999 > 31 33 O 0.72801213181282 0.45197829828404 0.39636277089220 15.999 > 33 34 O 0.72801213181282 0.95197829828404 0.39636277089220 15.999 > 33 35 O 0.27198786818718 0.45197829828404 0.10363722910780 15.999 > 35 36 O 0.27198786818718 0.95197829828404 0.10363722910780 15.999 > 35 37 O 0.00000000000000 0.32667131427948 0.75000000000000 15.999 > 1 38 O 0.00000000000000 0.82667131427948 0.75000000000000 15.999 > 1 39 O 0.00000000000000 0.17332868572052 0.25000000000000 15.999 > 3 40 O 0.00000000000000 0.67332868572052 0.25000000000000 15.999 > 3 41 O 0.05100521281677 0.03064838096166 0.90050089273405 15.999 > 5 42 O 0.05100521281677 0.53064838096166 0.90050089273405 15.999 > 5 43 O 0.94899478718323 0.03064838096166 0.59949910726595 15.999 > 7 44 O 0.94899478718323 0.53064838096166 0.59949910726595 15.999 > 7 45 O 0.94899478718323 0.46935161903834 0.09949910726595 15.999 > 9 46 O 0.94899478718323 0.96935161903834 0.09949910726595 15.999 > 9 47 O 0.05100521281677 0.46935161903834 0.40050089273405 15.999 > 11 48 O 0.05100521281677 0.96935161903834 0.40050089273405 15.999 > 11 49 O 0.11798015536216 0.14956672715462 0.74876776798103 15.999 > 13 50 O 0.11798015536216 0.64956672715462 0.74876776798103 15.999 > 13 51 O 0.88201984463784 0.14956672715462 0.75123223201897 15.999 > 15 52 O 0.88201984463784 0.64956672715462 0.75123223201897 15.999 > 15 53 O 0.88201984463784 0.35043327284538 0.25123223201897 15.999 > 17 54 O 0.88201984463784 0.85043327284538 0.25123223201897 15.999 > 17 55 O 0.11798015536216 0.35043327284538 0.24876776798103 15.999 > 19 56 O 0.11798015536216 0.85043327284538 0.24876776798103 15.999 > 19 57 O 0.22801213181282 0.29802170171596 0.89636277089220 15.999 > 21 58 O 0.22801213181282 0.79802170171596 0.89636277089220 15.999 > 21 59 O 0.77198786818718 0.29802170171596 0.60363722910780 15.999 > 23 60 O 0.77198786818718 0.79802170171596 0.60363722910780 15.999 > 23 61 O 0.12488446195718 0.20328236578961 0.09411345919435 15.999 > 25 62 O 0.12488446195718 0.70328236578961 0.09411345919435 15.999 > 25 63 O 0.87511553804282 0.20328236578961 0.40588654080565 15.999 > 27 64 O 0.87511553804282 0.70328236578961 0.40588654080565 15.999 > 27 65 O 0.87511553804282 0.29671763421039 0.90588654080565 15.999 > 29 66 O 0.87511553804282 0.79671763421039 0.90588654080565 15.999 > 29 67 O 0.12488446195718 0.29671763421039 0.59411345919435 15.999 > 31 68 O 0.12488446195718 0.79671763421039 0.59411345919435 15.999 > 31 69 O 0.22801213181282 0.20197829828404 0.39636277089220 15.999 > 33 70 O 0.22801213181282 0.70197829828404 0.39636277089220 15.999 > 33 71 O 0.77198786818718 0.20197829828404 0.10363722910780 15.999 > 35 72 O 0.77198786818718 0.70197829828404 0.10363722910780 15.999 > 35 73 Ge 0.50000000000000 0.32765993493229 0.75000000000000 72.640 > 73 74 Ge 0.50000000000000 0.82765993493229 0.75000000000000 72.640 > 73 75 Ge 0.50000000000000 0.17234006506771 0.25000000000000 72.640 > 75 76 Ge 0.50000000000000 0.67234006506771 0.25000000000000 72.640 > 75 77 Ge 0.63019565643914 0.02404746772005 0.74664585686496 72.640 > 77 78 Ge 0.63019565643914 0.52404746772005 0.74664585686496 72.640 > 77 79 Ge 0.36980434356086 0.02404746772005 0.75335414313504 72.640 > 79 80 Ge 0.36980434356086 0.52404746772005 0.75335414313504 72.640 > 79 81 Ge 0.36980434356086 0.47595253227995 0.25335414313504 72.640 > 81 82 Ge 0.36980434356086 0.97595253227995 0.25335414313504 72.640 > 81 83 Ge 0.63019565643914 0.47595253227995 0.24664585686497 72.640 > 83 84 Ge 0.63019565643914 0.97595253227995 0.24664585686497 72.640 > 83 85 Ge 0.00000000000000 0.07765993493229 0.75000000000000 72.640 > 73 86 Ge 0.00000000000000 0.57765993493229 0.75000000000000 72.640 > 73 87 Ge 0.00000000000000 0.42234006506771 0.25000000000000 72.640 > 75 88 Ge 0.00000000000000 0.92234006506771 0.25000000000000 72.640 > 75 89 Ge 0.13019565643914 0.27404746772005 0.74664585686496 72.640 > 77 90 Ge 0.13019565643914 0.77404746772005 0.74664585686496 72.640 > 77 91 Ge 0.86980434356086 0.27404746772005 0.75335414313504 72.640 > 79 92 Ge 0.86980434356086 0.77404746772005 0.75335414313504 72.640 > 79 93 Ge 0.86980434356086 0.22595253227995 0.25335414313504 72.640 > 81 94 Ge 0.86980434356086 0.72595253227995 0.25335414313504 72.640 > 81 95 Ge 0.13019565643914 0.22595253227995 0.24664585686497 72.640 > 83 96 Ge 0.13019565643914 0.72595253227995 0.24664585686497 72.640 > 83 97 Sr 0.75000000000000 0.12500000000000 0.50000000000000 87.620 > 97 98 Sr 0.75000000000000 0.62500000000000 0.50000000000000 87.620 > 97 99 Sr 0.75000000000000 0.37500000000000 0.00000000000000 87.620 > 99 100 Sr 0.75000000000000 0.87500000000000 0.00000000000000 87.620 > 99 101 Sr 0.58553885384843 0.12781618082474 0.99939683946256 87.620 > 101 102 Sr 0.58553885384843 0.62781618082474 0.99939683946256 87.620 > 101 103 Sr 0.41446114615157 0.12781618082474 0.50060316053744 87.620 > 103 104 Sr 0.41446114615157 0.62781618082474 0.50060316053744 87.620 > 103 105 Sr 0.41446114615157 0.37218381917526 0.00060316053744 87.620 > 105 106 Sr 0.41446114615157 0.87218381917526 0.00060316053744 87.620 > 105 107 Sr 0.58553885384843 0.37218381917526 0.49939683946256 87.620 > 107 108 Sr 0.58553885384843 0.87218381917526 0.49939683946256 87.620 > 107 109 Sr 0.25000000000000 0.37500000000000 0.50000000000000 87.620 > 97 110 Sr 0.25000000000000 0.87500000000000 0.50000000000000 87.620 > 97 111 Sr 0.25000000000000 0.12500000000000 0.00000000000000 87.620 > 99 112 Sr 0.25000000000000 0.62500000000000 0.00000000000000 87.620 > 99 113 Sr 0.08553885384843 0.37781618082474 0.99939683946256 87.620 > 101 114 Sr 0.08553885384843 0.87781618082474 0.99939683946256 87.620 > 101 115 Sr 0.91446114615157 0.37781618082474 0.50060316053744 87.620 > 103 116 Sr 0.91446114615157 0.87781618082474 0.50060316053744 87.620 > 103 117 Sr 0.91446114615157 0.12218381917526 0.00060316053744 87.620 > 105 118 Sr 0.91446114615157 0.62218381917526 0.00060316053744 87.620 > 105 119 Sr 0.08553885384843 0.12218381917526 0.49939683946256 87.620 > 107 120 Sr 0.08553885384843 0.62218381917526 0.49939683946256 87.620 > 107 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0006040 0.0000000 0.0060987 0.0000000 3.0009274 0.0000000 0.0061170 0.0000000 3.2719825 -------------------------- Born effective charges -------------------------- 1 O -2.7012510 0.0000000 0.0303911 0.0000000 -1.2505751 0.0000000 0.0203123 0.0000000 -1.5287528 2 O -2.7012510 0.0000000 0.0303911 0.0000000 -1.2505751 0.0000000 0.0203123 0.0000000 -1.5287528 3 O -1.4165347 0.0215361 -0.0144725 -0.0109303 -1.9160947 0.5760259 -0.0147041 0.3567920 -2.0399044 4 O -1.4165347 -0.0215361 -0.0144725 0.0109303 -1.9160947 -0.5760259 -0.0147041 -0.3567920 -2.0399044 5 O -1.4165347 0.0215361 -0.0144725 -0.0109303 -1.9160947 0.5760259 -0.0147041 0.3567920 -2.0399044 6 O -1.4165347 -0.0215361 -0.0144725 0.0109303 -1.9160947 -0.5760259 -0.0147041 -0.3567920 -2.0399044 7 O -1.6183433 -0.6309381 0.0070325 -0.6278794 -2.3434745 0.0130809 0.0060354 0.0121706 -1.5307238 8 O -1.6183433 0.6309381 0.0070325 0.6278794 -2.3434745 -0.0130809 0.0060354 -0.0121706 -1.5307238 9 O -1.6183433 -0.6309381 0.0070325 -0.6278794 -2.3434745 0.0130809 0.0060354 0.0121706 -1.5307238 10 O -1.6183433 0.6309381 0.0070325 0.6278794 -2.3434745 -0.0130809 0.0060354 -0.0121706 -1.5307238 11 O -1.7936659 -0.2402640 -0.5148221 -0.2028547 -1.5294046 -0.2967566 -0.3145947 -0.1829622 -2.0475814 12 O -1.7936659 0.2402640 -0.5148221 0.2028547 -1.5294046 0.2967566 -0.3145947 0.1829622 -2.0475814 13 O -1.7590207 0.2081713 0.4963020 0.2075483 -1.5237736 -0.2876407 0.3031854 -0.1776696 -2.1172508 14 O -1.7590207 -0.2081713 0.4963020 -0.2075483 -1.5237736 0.2876407 0.3031854 0.1776696 -2.1172508 15 O -1.7590207 0.2081713 0.4963020 0.2075483 -1.5237736 -0.2876407 0.3031854 -0.1776696 -2.1172508 16 O -1.7590207 -0.2081713 0.4963020 -0.2075483 -1.5237736 0.2876407 0.3031854 0.1776696 -2.1172508 17 O -1.7936659 0.2402640 -0.5148221 0.2028547 -1.5294046 0.2967566 -0.3145947 0.1829622 -2.0475814 18 O -1.7936659 -0.2402640 -0.5148221 -0.2028547 -1.5294046 -0.2967566 -0.3145947 -0.1829622 -2.0475814 19 Ge 2.7010783 0.0000000 -0.0025870 0.0000000 2.9389795 0.0000000 -0.0005579 0.0000000 3.0851772 20 Ge 2.7010783 0.0000000 -0.0025870 0.0000000 2.9389795 0.0000000 -0.0005579 0.0000000 3.0851772 21 Ge 2.8724969 0.0938752 -0.0193498 0.0923960 2.7607866 0.0016976 -0.0138179 -0.0026832 3.1014337 22 Ge 2.8724969 -0.0938752 -0.0193498 -0.0923960 2.7607866 -0.0016976 -0.0138179 0.0026832 3.1014337 23 Ge 2.8724969 0.0938752 -0.0193498 0.0923960 2.7607866 0.0016976 -0.0138179 -0.0026832 3.1014337 24 Ge 2.8724969 -0.0938752 -0.0193498 -0.0923960 2.7607866 -0.0016976 -0.0138179 0.0026832 3.1014337 25 Sr 2.6863813 0.3249171 0.1300162 0.3308213 2.2788761 0.0675041 -0.0651625 -0.0518048 2.5607167 26 Sr 2.6863813 -0.3249171 0.1300162 -0.3308213 2.2788761 -0.0675041 -0.0651625 0.0518048 2.5607167 27 Sr 2.3719635 0.1648176 -0.0336003 0.1648490 2.5683205 0.0301909 0.0566000 -0.0254269 2.5754563 28 Sr 2.3719635 -0.1648176 -0.0336003 -0.1648490 2.5683205 -0.0301909 0.0566000 0.0254269 2.5754563 29 Sr 2.3719635 0.1648176 -0.0336003 0.1648490 2.5683205 0.0301909 0.0566000 -0.0254269 2.5754563 30 Sr 2.3719635 -0.1648176 -0.0336003 -0.1648490 2.5683205 -0.0301909 0.0566000 0.0254269 2.5754563 ---------------------------------------------------------------------------- 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 5, 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 25, 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 73, 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 77, 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 101, 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:21:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:21:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.261165190000176 -3.623174175000000 0.000000000000000 b 6.261165190000176 3.623174175000000 0.000000000000000 c -4.093688707244279 0.000000000000000 10.474869854195351 Atomic positions (fractional): 1 O 0.34665737144104 0.65334262855896 0.75000000000000 15.999 2 O 0.65334262855896 0.34665737144104 0.25000000000000 15.999 3 O 0.98970845089346 0.11230197474008 0.90050089273405 15.999 4 O 0.88769802525992 0.01029154910654 0.59949910726595 15.999 5 O 0.01029154910654 0.88769802525992 0.09949910726595 15.999 6 O 0.11230197474008 0.98970845089346 0.40050089273405 15.999 7 O 0.81884670105292 0.41711360967140 0.74876776798103 15.999 8 O 0.58288639032860 0.18115329894708 0.75123223201897 15.999 9 O 0.18115329894708 0.58288639032860 0.25123223201897 15.999 10 O 0.41711360967140 0.81884670105292 0.24876776798103 15.999 11 O 0.63196872838090 0.82405553524474 0.89636277089220 15.999 12 O 0.17594446475526 0.36803127161910 0.60363722910780 15.999 13 O 0.71831973037796 0.53144919353640 0.09411345919435 15.999 14 O 0.46855080646360 0.28168026962204 0.40588654080565 15.999 15 O 0.28168026962204 0.46855080646360 0.90588654080565 15.999 16 O 0.53144919353640 0.71831973037796 0.59411345919435 15.999 17 O 0.82405553524474 0.63196872838090 0.39636277089220 15.999 18 O 0.36803127161910 0.17594446475526 0.10363722910780 15.999 19 Ge 0.84468013013543 0.15531986986457 0.75000000000000 72.640 20 Ge 0.15531986986457 0.84468013013543 0.25000000000000 72.640 21 Ge 0.58210072099905 0.67829059187924 0.74664585686496 72.640 22 Ge 0.32170940812076 0.41789927900095 0.75335414313504 72.640 23 Ge 0.41789927900095 0.32170940812076 0.25335414313504 72.640 24 Ge 0.67829059187924 0.58210072099905 0.24664585686497 72.640 25 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 26 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 27 Sr 0.32990649219895 0.84117121549791 0.99939683946256 87.620 28 Sr 0.15882878450209 0.67009350780105 0.50060316053744 87.620 29 Sr 0.67009350780105 0.15882878450209 0.00060316053744 87.620 30 Sr 0.84117121549791 0.32990649219895 0.49939683946256 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.522330380000351 0.000000000000000 0.000000000000000 b 0.000000000000000 14.492696700000000 0.000000000000000 c -4.093688707244279 0.000000000000000 10.474869854195351 Atomic positions (fractional): 1 O 0.50000000000000 0.07667131427948 0.75000000000000 15.999 > 1 2 O 0.50000000000000 0.57667131427948 0.75000000000000 15.999 > 1 3 O 0.50000000000000 0.42332868572052 0.25000000000000 15.999 > 3 4 O 0.50000000000000 0.92332868572052 0.25000000000000 15.999 > 3 5 O 0.55100521281677 0.28064838096166 0.90050089273405 15.999 > 5 6 O 0.55100521281677 0.78064838096166 0.90050089273405 15.999 > 5 7 O 0.44899478718323 0.28064838096166 0.59949910726595 15.999 > 7 8 O 0.44899478718323 0.78064838096166 0.59949910726595 15.999 > 7 9 O 0.44899478718323 0.21935161903834 0.09949910726595 15.999 > 9 10 O 0.44899478718323 0.71935161903834 0.09949910726595 15.999 > 9 11 O 0.55100521281677 0.21935161903834 0.40050089273405 15.999 > 11 12 O 0.55100521281677 0.71935161903834 0.40050089273405 15.999 > 11 13 O 0.61798015536216 0.39956672715462 0.74876776798103 15.999 > 13 14 O 0.61798015536216 0.89956672715462 0.74876776798103 15.999 > 13 15 O 0.38201984463784 0.39956672715462 0.75123223201897 15.999 > 15 16 O 0.38201984463784 0.89956672715462 0.75123223201897 15.999 > 15 17 O 0.38201984463784 0.10043327284538 0.25123223201897 15.999 > 17 18 O 0.38201984463784 0.60043327284538 0.25123223201897 15.999 > 17 19 O 0.61798015536216 0.10043327284538 0.24876776798103 15.999 > 19 20 O 0.61798015536216 0.60043327284538 0.24876776798103 15.999 > 19 21 O 0.72801213181282 0.04802170171596 0.89636277089220 15.999 > 21 22 O 0.72801213181282 0.54802170171596 0.89636277089220 15.999 > 21 23 O 0.27198786818718 0.04802170171596 0.60363722910780 15.999 > 23 24 O 0.27198786818718 0.54802170171596 0.60363722910780 15.999 > 23 25 O 0.62488446195718 0.45328236578961 0.09411345919435 15.999 > 25 26 O 0.62488446195718 0.95328236578961 0.09411345919435 15.999 > 25 27 O 0.37511553804282 0.45328236578961 0.40588654080565 15.999 > 27 28 O 0.37511553804282 0.95328236578961 0.40588654080565 15.999 > 27 29 O 0.37511553804282 0.04671763421039 0.90588654080565 15.999 > 29 30 O 0.37511553804282 0.54671763421039 0.90588654080565 15.999 > 29 31 O 0.62488446195718 0.04671763421039 0.59411345919435 15.999 > 31 32 O 0.62488446195718 0.54671763421039 0.59411345919435 15.999 > 31 33 O 0.72801213181282 0.45197829828404 0.39636277089220 15.999 > 33 34 O 0.72801213181282 0.95197829828404 0.39636277089220 15.999 > 33 35 O 0.27198786818718 0.45197829828404 0.10363722910780 15.999 > 35 36 O 0.27198786818718 0.95197829828404 0.10363722910780 15.999 > 35 37 O 0.00000000000000 0.32667131427948 0.75000000000000 15.999 > 1 38 O 0.00000000000000 0.82667131427948 0.75000000000000 15.999 > 1 39 O 0.00000000000000 0.17332868572052 0.25000000000000 15.999 > 3 40 O 0.00000000000000 0.67332868572052 0.25000000000000 15.999 > 3 41 O 0.05100521281677 0.03064838096166 0.90050089273405 15.999 > 5 42 O 0.05100521281677 0.53064838096166 0.90050089273405 15.999 > 5 43 O 0.94899478718323 0.03064838096166 0.59949910726595 15.999 > 7 44 O 0.94899478718323 0.53064838096166 0.59949910726595 15.999 > 7 45 O 0.94899478718323 0.46935161903834 0.09949910726595 15.999 > 9 46 O 0.94899478718323 0.96935161903834 0.09949910726595 15.999 > 9 47 O 0.05100521281677 0.46935161903834 0.40050089273405 15.999 > 11 48 O 0.05100521281677 0.96935161903834 0.40050089273405 15.999 > 11 49 O 0.11798015536216 0.14956672715462 0.74876776798103 15.999 > 13 50 O 0.11798015536216 0.64956672715462 0.74876776798103 15.999 > 13 51 O 0.88201984463784 0.14956672715462 0.75123223201897 15.999 > 15 52 O 0.88201984463784 0.64956672715462 0.75123223201897 15.999 > 15 53 O 0.88201984463784 0.35043327284538 0.25123223201897 15.999 > 17 54 O 0.88201984463784 0.85043327284538 0.25123223201897 15.999 > 17 55 O 0.11798015536216 0.35043327284538 0.24876776798103 15.999 > 19 56 O 0.11798015536216 0.85043327284538 0.24876776798103 15.999 > 19 57 O 0.22801213181282 0.29802170171596 0.89636277089220 15.999 > 21 58 O 0.22801213181282 0.79802170171596 0.89636277089220 15.999 > 21 59 O 0.77198786818718 0.29802170171596 0.60363722910780 15.999 > 23 60 O 0.77198786818718 0.79802170171596 0.60363722910780 15.999 > 23 61 O 0.12488446195718 0.20328236578961 0.09411345919435 15.999 > 25 62 O 0.12488446195718 0.70328236578961 0.09411345919435 15.999 > 25 63 O 0.87511553804282 0.20328236578961 0.40588654080565 15.999 > 27 64 O 0.87511553804282 0.70328236578961 0.40588654080565 15.999 > 27 65 O 0.87511553804282 0.29671763421039 0.90588654080565 15.999 > 29 66 O 0.87511553804282 0.79671763421039 0.90588654080565 15.999 > 29 67 O 0.12488446195718 0.29671763421039 0.59411345919435 15.999 > 31 68 O 0.12488446195718 0.79671763421039 0.59411345919435 15.999 > 31 69 O 0.22801213181282 0.20197829828404 0.39636277089220 15.999 > 33 70 O 0.22801213181282 0.70197829828404 0.39636277089220 15.999 > 33 71 O 0.77198786818718 0.20197829828404 0.10363722910780 15.999 > 35 72 O 0.77198786818718 0.70197829828404 0.10363722910780 15.999 > 35 73 Ge 0.50000000000000 0.32765993493229 0.75000000000000 72.640 > 73 74 Ge 0.50000000000000 0.82765993493229 0.75000000000000 72.640 > 73 75 Ge 0.50000000000000 0.17234006506771 0.25000000000000 72.640 > 75 76 Ge 0.50000000000000 0.67234006506771 0.25000000000000 72.640 > 75 77 Ge 0.63019565643914 0.02404746772005 0.74664585686496 72.640 > 77 78 Ge 0.63019565643914 0.52404746772005 0.74664585686496 72.640 > 77 79 Ge 0.36980434356086 0.02404746772005 0.75335414313504 72.640 > 79 80 Ge 0.36980434356086 0.52404746772005 0.75335414313504 72.640 > 79 81 Ge 0.36980434356086 0.47595253227995 0.25335414313504 72.640 > 81 82 Ge 0.36980434356086 0.97595253227995 0.25335414313504 72.640 > 81 83 Ge 0.63019565643914 0.47595253227995 0.24664585686497 72.640 > 83 84 Ge 0.63019565643914 0.97595253227995 0.24664585686497 72.640 > 83 85 Ge 0.00000000000000 0.07765993493229 0.75000000000000 72.640 > 73 86 Ge 0.00000000000000 0.57765993493229 0.75000000000000 72.640 > 73 87 Ge 0.00000000000000 0.42234006506771 0.25000000000000 72.640 > 75 88 Ge 0.00000000000000 0.92234006506771 0.25000000000000 72.640 > 75 89 Ge 0.13019565643914 0.27404746772005 0.74664585686496 72.640 > 77 90 Ge 0.13019565643914 0.77404746772005 0.74664585686496 72.640 > 77 91 Ge 0.86980434356086 0.27404746772005 0.75335414313504 72.640 > 79 92 Ge 0.86980434356086 0.77404746772005 0.75335414313504 72.640 > 79 93 Ge 0.86980434356086 0.22595253227995 0.25335414313504 72.640 > 81 94 Ge 0.86980434356086 0.72595253227995 0.25335414313504 72.640 > 81 95 Ge 0.13019565643914 0.22595253227995 0.24664585686497 72.640 > 83 96 Ge 0.13019565643914 0.72595253227995 0.24664585686497 72.640 > 83 97 Sr 0.75000000000000 0.12500000000000 0.50000000000000 87.620 > 97 98 Sr 0.75000000000000 0.62500000000000 0.50000000000000 87.620 > 97 99 Sr 0.75000000000000 0.37500000000000 0.00000000000000 87.620 > 99 100 Sr 0.75000000000000 0.87500000000000 0.00000000000000 87.620 > 99 101 Sr 0.58553885384843 0.12781618082474 0.99939683946256 87.620 > 101 102 Sr 0.58553885384843 0.62781618082474 0.99939683946256 87.620 > 101 103 Sr 0.41446114615157 0.12781618082474 0.50060316053744 87.620 > 103 104 Sr 0.41446114615157 0.62781618082474 0.50060316053744 87.620 > 103 105 Sr 0.41446114615157 0.37218381917526 0.00060316053744 87.620 > 105 106 Sr 0.41446114615157 0.87218381917526 0.00060316053744 87.620 > 105 107 Sr 0.58553885384843 0.37218381917526 0.49939683946256 87.620 > 107 108 Sr 0.58553885384843 0.87218381917526 0.49939683946256 87.620 > 107 109 Sr 0.25000000000000 0.37500000000000 0.50000000000000 87.620 > 97 110 Sr 0.25000000000000 0.87500000000000 0.50000000000000 87.620 > 97 111 Sr 0.25000000000000 0.12500000000000 0.00000000000000 87.620 > 99 112 Sr 0.25000000000000 0.62500000000000 0.00000000000000 87.620 > 99 113 Sr 0.08553885384843 0.37781618082474 0.99939683946256 87.620 > 101 114 Sr 0.08553885384843 0.87781618082474 0.99939683946256 87.620 > 101 115 Sr 0.91446114615157 0.37781618082474 0.50060316053744 87.620 > 103 116 Sr 0.91446114615157 0.87781618082474 0.50060316053744 87.620 > 103 117 Sr 0.91446114615157 0.12218381917526 0.00060316053744 87.620 > 105 118 Sr 0.91446114615157 0.62218381917526 0.00060316053744 87.620 > 105 119 Sr 0.08553885384843 0.12218381917526 0.49939683946256 87.620 > 107 120 Sr 0.08553885384843 0.62218381917526 0.49939683946256 87.620 > 107 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0006040 0.0000000 0.0060987 0.0000000 3.0009274 0.0000000 0.0061170 0.0000000 3.2719825 -------------------------- Born effective charges -------------------------- 1 O -2.7012510 0.0000000 0.0303911 0.0000000 -1.2505751 0.0000000 0.0203123 0.0000000 -1.5287528 2 O -2.7012510 0.0000000 0.0303911 0.0000000 -1.2505751 0.0000000 0.0203123 0.0000000 -1.5287528 3 O -1.4165347 0.0215361 -0.0144725 -0.0109303 -1.9160947 0.5760259 -0.0147041 0.3567920 -2.0399044 4 O -1.4165347 -0.0215361 -0.0144725 0.0109303 -1.9160947 -0.5760259 -0.0147041 -0.3567920 -2.0399044 5 O -1.4165347 0.0215361 -0.0144725 -0.0109303 -1.9160947 0.5760259 -0.0147041 0.3567920 -2.0399044 6 O -1.4165347 -0.0215361 -0.0144725 0.0109303 -1.9160947 -0.5760259 -0.0147041 -0.3567920 -2.0399044 7 O -1.6183433 -0.6309381 0.0070325 -0.6278794 -2.3434745 0.0130809 0.0060354 0.0121706 -1.5307238 8 O -1.6183433 0.6309381 0.0070325 0.6278794 -2.3434745 -0.0130809 0.0060354 -0.0121706 -1.5307238 9 O -1.6183433 -0.6309381 0.0070325 -0.6278794 -2.3434745 0.0130809 0.0060354 0.0121706 -1.5307238 10 O -1.6183433 0.6309381 0.0070325 0.6278794 -2.3434745 -0.0130809 0.0060354 -0.0121706 -1.5307238 11 O -1.7936659 -0.2402640 -0.5148221 -0.2028547 -1.5294046 -0.2967566 -0.3145947 -0.1829622 -2.0475814 12 O -1.7936659 0.2402640 -0.5148221 0.2028547 -1.5294046 0.2967566 -0.3145947 0.1829622 -2.0475814 13 O -1.7590207 0.2081713 0.4963020 0.2075483 -1.5237736 -0.2876407 0.3031854 -0.1776696 -2.1172508 14 O -1.7590207 -0.2081713 0.4963020 -0.2075483 -1.5237736 0.2876407 0.3031854 0.1776696 -2.1172508 15 O -1.7590207 0.2081713 0.4963020 0.2075483 -1.5237736 -0.2876407 0.3031854 -0.1776696 -2.1172508 16 O -1.7590207 -0.2081713 0.4963020 -0.2075483 -1.5237736 0.2876407 0.3031854 0.1776696 -2.1172508 17 O -1.7936659 0.2402640 -0.5148221 0.2028547 -1.5294046 0.2967566 -0.3145947 0.1829622 -2.0475814 18 O -1.7936659 -0.2402640 -0.5148221 -0.2028547 -1.5294046 -0.2967566 -0.3145947 -0.1829622 -2.0475814 19 Ge 2.7010783 0.0000000 -0.0025870 0.0000000 2.9389795 0.0000000 -0.0005579 0.0000000 3.0851772 20 Ge 2.7010783 0.0000000 -0.0025870 0.0000000 2.9389795 0.0000000 -0.0005579 0.0000000 3.0851772 21 Ge 2.8724969 0.0938752 -0.0193498 0.0923960 2.7607866 0.0016976 -0.0138179 -0.0026832 3.1014337 22 Ge 2.8724969 -0.0938752 -0.0193498 -0.0923960 2.7607866 -0.0016976 -0.0138179 0.0026832 3.1014337 23 Ge 2.8724969 0.0938752 -0.0193498 0.0923960 2.7607866 0.0016976 -0.0138179 -0.0026832 3.1014337 24 Ge 2.8724969 -0.0938752 -0.0193498 -0.0923960 2.7607866 -0.0016976 -0.0138179 0.0026832 3.1014337 25 Sr 2.6863813 0.3249171 0.1300162 0.3308213 2.2788761 0.0675041 -0.0651625 -0.0518048 2.5607167 26 Sr 2.6863813 -0.3249171 0.1300162 -0.3308213 2.2788761 -0.0675041 -0.0651625 0.0518048 2.5607167 27 Sr 2.3719635 0.1648176 -0.0336003 0.1648490 2.5683205 0.0301909 0.0566000 -0.0254269 2.5754563 28 Sr 2.3719635 -0.1648176 -0.0336003 -0.1648490 2.5683205 -0.0301909 0.0566000 0.0254269 2.5754563 29 Sr 2.3719635 0.1648176 -0.0336003 0.1648490 2.5683205 0.0301909 0.0566000 -0.0254269 2.5754563 30 Sr 2.3719635 -0.1648176 -0.0336003 -0.1648490 2.5683205 -0.0301909 0.0566000 0.0254269 2.5754563 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) 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 ... [ 8 8 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 293, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/93) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 93 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 2.337 ( 0.000 0.000 0.000) 0.000 2.511 ( 0.000 0.000 0.000) 0.000 2.735 ( 0.000 0.000 0.000) 0.000 2.908 ( 0.000 0.000 0.000) 0.000 2.935 ( 0.000 0.000 0.000) 0.000 2.963 ( 0.000 0.000 0.000) 0.000 3.005 ( 0.000 0.000 0.000) 0.000 3.205 ( 0.000 0.000 0.000) 0.000 3.229 ( 0.000 0.000 0.000) 0.000 3.317 ( 0.000 0.000 0.000) 0.000 3.330 ( 0.000 0.000 0.000) 0.000 3.351 ( 0.000 0.000 0.000) 0.000 3.574 ( 0.000 0.000 0.000) 0.000 3.625 ( 0.000 0.000 0.000) 0.000 3.671 ( 0.000 0.000 0.000) 0.000 3.685 ( 0.000 0.000 0.000) 0.000 4.023 ( 0.000 0.000 0.000) 0.000 4.110 ( 0.000 0.000 0.000) 0.000 4.247 ( 0.000 0.000 0.000) 0.000 4.252 ( 0.000 0.000 0.000) 0.000 4.360 ( 0.000 0.000 0.000) 0.000 4.435 ( 0.000 0.000 0.000) 0.000 4.494 ( 0.000 0.000 0.000) 0.000 4.573 ( 0.000 0.000 0.000) 0.000 4.587 ( 0.000 0.000 0.000) 0.000 4.667 ( 0.000 0.000 0.000) 0.000 4.682 ( 0.000 0.000 0.000) 0.000 4.706 ( 0.000 0.000 0.000) 0.000 4.872 ( 0.000 0.000 0.000) 0.000 5.371 ( 0.000 0.000 0.000) 0.000 5.378 ( 0.000 0.000 0.000) 0.000 5.644 ( 0.000 0.000 0.000) 0.000 5.688 ( 0.000 0.000 0.000) 0.000 5.729 ( 0.000 0.000 0.000) 0.000 5.759 ( 0.000 0.000 0.000) 0.000 5.760 ( 0.000 0.000 0.000) 0.000 6.130 ( 0.000 0.000 0.000) 0.000 7.309 ( 0.000 0.000 0.000) 0.000 7.411 ( 0.000 0.000 0.000) 0.000 7.600 ( 0.000 0.000 0.000) 0.000 7.646 ( 0.000 0.000 0.000) 0.000 7.718 ( 0.000 0.000 0.000) 0.000 7.873 ( 0.000 0.000 0.000) 0.000 7.996 ( 0.000 0.000 0.000) 0.000 8.057 ( 0.000 0.000 0.000) 0.000 8.064 ( 0.000 0.000 0.000) 0.000 8.261 ( 0.000 0.000 0.000) 0.000 8.518 ( 0.000 0.000 0.000) 0.000 8.590 ( 0.000 0.000 0.000) 0.000 8.798 ( 0.000 0.000 0.000) 0.000 8.899 ( 0.000 0.000 0.000) 0.000 8.901 ( 0.000 0.000 0.000) 0.000 9.085 ( 0.000 0.000 0.000) 0.000 9.283 ( 0.000 0.000 0.000) 0.000 9.358 ( 0.000 0.000 0.000) 0.000 9.934 ( 0.000 0.000 0.000) 0.000 9.970 ( 0.000 0.000 0.000) 0.000 10.704 ( 0.000 0.000 0.000) 0.000 10.737 ( 0.000 0.000 0.000) 0.000 11.201 ( 0.000 0.000 0.000) 0.000 11.219 ( 0.000 0.000 0.000) 0.000 11.411 ( 0.000 0.000 0.000) 0.000 12.362 ( 0.000 0.000 0.000) 0.000 13.266 ( 0.000 0.000 0.000) 0.000 13.325 ( 0.000 0.000 0.000) 0.000 14.191 ( 0.000 0.000 0.000) 0.000 14.200 ( 0.000 0.000 0.000) 0.000 14.309 ( 0.000 0.000 0.000) 0.000 14.318 ( 0.000 0.000 0.000) 0.000 20.900 ( 0.000 0.000 0.000) 0.000 21.022 ( 0.000 0.000 0.000) 0.000 21.098 ( 0.000 0.000 0.000) 0.000 21.154 ( 0.000 0.000 0.000) 0.000 21.582 ( 0.000 0.000 0.000) 0.000 21.583 ( 0.000 0.000 0.000) 0.000 23.306 ( 0.000 0.000 0.000) 0.000 23.426 ( 0.000 0.000 0.000) 0.000 23.501 ( 0.000 0.000 0.000) 0.000 23.813 ( 0.000 0.000 0.000) 0.000 24.022 ( 0.000 0.000 0.000) 0.000 24.049 ( 0.000 0.000 0.000) 0.000 24.054 ( 0.000 0.000 0.000) 0.000 24.250 ( 0.000 0.000 0.000) 0.000 24.296 ( 0.000 0.000 0.000) 0.000 24.308 ( 0.000 0.000 0.000) 0.000 24.356 ( 0.000 0.000 0.000) 0.000 25.844 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/93) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( 6.082 -22.840 7.974) 24.945 0.665 ( 17.068 -28.990 -5.741) 34.128 0.973 ( 23.003 -36.112 23.110) 48.655 2.372 ( 0.999 -2.953 -2.349) 3.904 2.520 ( 0.288 -1.590 -5.162) 5.409 2.694 ( -0.064 4.702 1.050) 4.818 2.767 ( -7.449 6.749 -0.377) 10.059 2.894 ( -4.942 6.215 1.540) 8.088 3.000 ( -3.935 -2.602 -1.409) 4.923 3.043 ( 0.632 0.735 -2.293) 2.490 3.163 ( -4.085 1.371 -3.138) 5.330 3.230 ( -2.413 2.572 4.562) 5.766 3.253 ( -2.763 5.642 0.144) 6.284 3.334 ( -0.054 2.884 1.076) 3.079 3.355 ( -0.249 1.113 -4.680) 4.817 3.548 ( 1.436 7.159 0.529) 7.321 3.612 ( 2.339 1.030 0.027) 2.556 3.699 ( 4.584 2.918 -1.988) 5.786 3.785 ( 0.450 -7.429 -1.237) 7.545 3.977 ( -3.462 2.613 1.068) 4.467 4.116 ( 0.012 -1.566 -0.037) 1.566 4.193 ( 1.803 5.791 0.449) 6.082 4.251 ( -0.706 0.124 -0.379) 0.811 4.316 ( 2.147 5.959 0.792) 6.383 4.474 ( -0.919 -3.610 -6.118) 7.163 4.529 ( 1.952 0.538 -4.203) 4.665 4.565 ( 0.720 -3.167 -1.715) 3.673 4.658 ( 5.174 -0.091 -0.603) 5.210 4.680 ( 0.681 -0.906 -2.923) 3.135 4.760 ( 0.378 -7.319 -4.395) 8.546 4.874 ( -3.798 -4.907 -3.278) 7.018 5.028 ( -0.520 3.132 2.990) 4.361 5.245 ( -5.613 9.969 8.639) 14.336 5.395 ( -4.274 4.224 19.828) 20.718 5.657 ( -1.662 -0.300 0.642) 1.807 5.693 ( -1.906 3.978 3.455) 5.603 5.737 ( 4.390 -1.019 -1.869) 4.879 5.765 ( -1.313 -1.940 2.412) 3.363 5.817 ( 3.963 -1.566 0.542) 4.296 6.071 ( -3.086 3.425 -1.112) 4.742 7.315 ( 1.412 1.413 0.782) 2.146 7.448 ( 1.099 -3.259 -1.543) 3.769 7.523 ( -3.835 7.147 1.262) 8.209 7.566 ( -4.150 3.539 -0.653) 5.493 7.745 ( 3.341 0.307 -3.623) 4.938 8.023 ( 1.631 -2.085 2.010) 3.323 8.125 ( 1.443 -5.015 -5.055) 7.266 8.164 ( 1.007 -8.853 3.419) 9.544 8.279 ( 0.947 -2.501 0.321) 2.694 8.441 ( -12.498 -9.536 1.593) 15.801 8.539 ( 0.902 -0.979 1.828) 2.261 8.613 ( 1.150 -2.073 -0.801) 2.502 8.806 ( -0.260 5.338 -1.201) 5.478 8.849 ( -1.938 3.913 -1.817) 4.730 9.043 ( 16.903 6.837 1.509) 18.295 9.153 ( 0.779 -6.207 0.529) 6.278 9.375 ( 1.288 -1.471 -0.812) 2.118 9.872 ( -0.218 2.967 -1.340) 3.262 9.913 ( -2.598 4.287 0.107) 5.014 10.482 ( 1.714 -0.154 -18.770) 18.849 10.733 ( 1.152 3.447 10.482) 11.095 10.923 ( -5.543 -12.275 -36.934) 39.313 11.159 ( 1.491 2.359 -9.441) 9.845 11.183 ( -3.834 4.031 6.712) 8.718 11.537 ( -1.080 2.671 34.971) 35.089 12.407 ( 1.131 -4.062 0.026) 4.217 13.271 ( 0.209 -0.455 0.068) 0.506 13.331 ( 0.278 -0.511 -0.046) 0.583 14.190 ( 0.811 -0.295 -2.435) 2.584 14.264 ( 5.354 0.035 3.184) 6.229 14.338 ( 0.905 -1.879 -0.818) 2.241 14.914 ( -3.601 -1.608 -12.678) 13.277 20.926 ( 4.398 4.928 -1.960) 6.890 21.038 ( 0.200 -0.044 -1.177) 1.195 21.106 ( 2.496 -0.552 2.815) 3.802 21.579 ( -0.050 0.206 -0.021) 0.213 21.584 ( -0.088 -0.087 -0.006) 0.124 22.493 ( -3.526 -15.435 -84.571) 86.040 23.292 ( -2.020 0.691 1.498) 2.608 23.428 ( 0.342 0.032 -0.329) 0.476 23.743 ( 0.635 9.516 43.129) 44.171 23.911 ( -5.533 4.604 36.868) 37.564 24.022 ( -0.386 -0.715 -4.933) 4.999 24.042 ( 1.236 -1.290 -0.180) 1.796 24.098 ( 2.124 -0.660 4.453) 4.978 24.259 ( 1.084 0.093 0.528) 1.209 24.313 ( 2.452 0.147 -0.538) 2.515 24.335 ( 1.711 -2.133 0.358) 2.758 24.509 ( -3.593 -0.211 10.125) 10.745 25.751 ( -4.664 7.702 -0.292) 9.009 ======================= Grid point 2 (3/93) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 7.139 -22.310 7.657) 24.644 1.281 ( 14.572 -26.293 -5.370) 30.537 1.844 ( 18.491 -29.222 19.829) 39.863 2.386 ( -1.051 0.634 -6.427) 6.543 2.464 ( -4.255 5.225 -18.342) 19.540 2.554 ( -4.182 6.521 -3.674) 8.573 2.645 ( -1.587 1.035 6.493) 6.764 2.777 ( -2.335 2.858 12.313) 12.854 2.957 ( -5.830 2.024 -3.589) 7.139 2.987 ( -3.206 3.839 -0.694) 5.050 3.044 ( -2.775 9.737 -0.916) 10.166 3.088 ( -0.402 1.497 -1.328) 2.042 3.206 ( 0.087 2.341 3.382) 4.114 3.303 ( -0.742 1.699 2.290) 2.946 3.321 ( -1.862 1.903 -3.677) 4.540 3.428 ( -3.190 3.747 -0.221) 4.926 3.568 ( 4.478 4.358 -2.627) 6.778 3.621 ( -3.772 8.612 2.375) 9.697 3.830 ( -2.424 0.375 1.345) 2.797 4.050 ( 5.483 -6.777 -2.667) 9.117 4.109 ( 3.717 5.525 3.681) 7.608 4.156 ( 1.099 -0.309 2.567) 2.810 4.220 ( 3.313 -0.701 -3.164) 4.634 4.344 ( -0.089 -3.822 0.374) 3.841 4.481 ( -1.206 -1.462 -8.679) 8.884 4.530 ( 1.741 -1.250 -0.973) 2.354 4.603 ( -1.705 -0.417 -5.712) 5.975 4.631 ( 2.725 5.581 5.557) 8.334 4.762 ( 0.658 -3.780 -5.294) 6.539 4.824 ( -3.035 -0.277 1.228) 3.285 4.848 ( -0.209 -3.546 -9.800) 10.424 4.990 ( -5.702 1.799 6.510) 8.839 5.147 ( 0.306 0.090 8.129) 8.135 5.338 ( -2.810 4.632 6.803) 8.696 5.578 ( -0.134 6.621 3.925) 7.698 5.639 ( -2.203 2.210 -3.847) 4.954 5.756 ( 0.388 -0.177 -1.147) 1.224 5.806 ( -0.544 -1.158 2.424) 2.741 5.868 ( 1.718 -1.046 1.863) 2.741 6.005 ( -0.348 0.501 -1.431) 1.556 7.228 ( -2.397 9.443 2.107) 9.968 7.392 ( -4.739 6.061 -0.757) 7.731 7.426 ( -0.033 0.238 -0.984) 1.013 7.582 ( 1.368 -6.648 -1.898) 7.048 7.778 ( 1.790 -2.571 -3.305) 4.554 8.097 ( 2.229 -2.344 4.118) 5.236 8.167 ( 0.134 -2.197 -5.904) 6.301 8.307 ( -2.783 -7.314 -0.856) 7.872 8.416 ( 4.580 -6.965 5.149) 9.798 8.492 ( -1.403 -2.253 2.078) 3.371 8.551 ( -0.890 1.872 1.497) 2.557 8.663 ( 1.322 -1.539 -0.665) 2.135 8.701 ( -1.355 3.454 -0.868) 3.810 8.767 ( -0.364 1.656 0.255) 1.715 9.104 ( 7.592 0.901 0.069) 7.646 9.263 ( 0.434 -4.985 -1.194) 5.144 9.424 ( 0.511 -1.728 2.178) 2.826 9.755 ( -4.789 6.652 -0.141) 8.198 9.864 ( 2.203 -0.404 -0.950) 2.433 10.404 ( -0.160 2.806 -11.726) 12.059 10.720 ( 0.498 4.840 15.357) 16.109 10.920 ( -5.482 -6.865 -22.581) 24.230 11.076 ( -0.355 5.735 -1.741) 6.004 11.124 ( -0.167 0.153 -1.179) 1.200 11.620 ( 1.433 -0.083 15.888) 15.953 12.501 ( 1.250 -4.668 0.171) 4.836 13.286 ( 0.389 -0.796 0.032) 0.887 13.347 ( 0.478 -0.885 -0.038) 1.007 14.198 ( 1.008 -0.501 -2.015) 2.308 14.343 ( 4.251 -1.668 4.231) 6.226 14.389 ( 1.165 -3.078 -1.550) 3.638 14.833 ( -3.604 2.334 -6.317) 7.638 20.863 ( -1.665 2.793 -2.368) 4.023 21.020 ( 0.726 1.205 -0.772) 1.605 21.197 ( 3.642 -3.975 4.577) 7.072 21.575 ( -0.093 0.177 -0.003) 0.200 21.583 ( -0.183 0.100 -0.126) 0.243 22.357 ( -2.289 -0.966 -40.698) 40.774 23.260 ( -2.617 0.997 2.071) 3.483 23.432 ( 0.543 0.053 -0.151) 0.566 23.756 ( 0.514 4.383 21.221) 21.675 23.915 ( -3.882 0.950 13.694) 14.265 24.023 ( -0.086 -1.463 -3.561) 3.851 24.097 ( 2.232 -2.586 1.095) 3.587 24.142 ( 1.171 -0.440 3.125) 3.367 24.276 ( 0.981 -0.571 1.819) 2.144 24.343 ( 2.116 -1.440 -0.307) 2.578 24.410 ( 3.463 -2.782 0.588) 4.481 24.518 ( -1.914 -0.995 3.168) 3.833 25.505 ( -7.654 12.588 -1.253) 14.786 ======================= Grid point 3 (4/93) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 7.554 -19.583 6.736) 22.044 1.803 ( 10.787 -21.071 -5.108) 24.216 2.156 ( -4.377 8.553 -9.314) 13.381 2.289 ( -4.992 7.120 -9.246) 12.692 2.409 ( 3.475 0.240 0.597) 3.534 2.432 ( 0.175 -6.993 7.597) 10.327 2.660 ( -0.020 -2.050 4.891) 5.303 2.791 ( -6.145 9.652 3.885) 12.084 2.814 ( -5.095 2.617 8.684) 10.403 2.870 ( 1.890 2.389 -9.822) 10.284 2.999 ( 2.167 -9.105 2.747) 9.754 3.089 ( 1.559 -0.745 1.923) 2.585 3.167 ( 1.486 4.988 -3.360) 6.195 3.213 ( -0.338 4.640 1.506) 4.890 3.271 ( -3.058 1.394 2.419) 4.140 3.380 ( -1.941 2.071 -1.088) 3.040 3.476 ( -0.237 1.366 0.624) 1.520 3.557 ( 3.003 1.388 1.569) 3.661 3.744 ( -2.410 4.626 -1.685) 5.482 4.113 ( 4.566 1.030 8.625) 9.813 4.157 ( -0.068 3.302 2.595) 4.200 4.210 ( 1.821 0.566 -3.776) 4.230 4.266 ( 5.290 -4.186 -5.990) 9.021 4.388 ( -5.210 -4.944 -2.705) 7.675 4.449 ( -4.419 -0.685 -6.913) 8.233 4.477 ( 0.321 1.824 -3.666) 4.107 4.573 ( 0.877 2.515 1.911) 3.278 4.644 ( 2.331 -3.518 4.442) 6.127 4.731 ( -0.905 6.231 2.817) 6.898 4.829 ( -1.575 -1.170 -6.910) 7.183 4.890 ( 1.891 -4.514 4.874) 6.907 4.999 ( -1.719 -3.875 -3.424) 5.449 5.181 ( -2.185 -0.473 -0.121) 2.239 5.242 ( -1.176 4.313 4.301) 6.204 5.495 ( 0.922 5.545 5.611) 7.942 5.537 ( -1.959 3.350 -7.296) 8.264 5.777 ( 1.195 -0.951 1.022) 1.838 5.800 ( -1.276 0.853 1.710) 2.298 5.912 ( -0.138 -2.291 1.073) 2.534 6.022 ( 1.426 -1.264 -0.831) 2.079 7.047 ( -2.890 7.320 1.444) 8.001 7.243 ( -3.762 4.894 -0.466) 6.190 7.445 ( 1.331 -0.905 -1.101) 1.950 7.699 ( 1.180 -4.878 -0.810) 5.083 7.832 ( 1.179 -2.865 -2.734) 4.132 8.171 ( 1.474 -2.472 1.853) 3.423 8.191 ( 0.834 -2.264 -1.449) 2.815 8.346 ( -2.713 0.596 1.638) 3.225 8.447 ( -1.994 5.408 0.247) 5.769 8.482 ( -1.519 -0.106 -2.315) 2.771 8.588 ( 1.733 -5.207 2.310) 5.954 8.659 ( 1.578 -0.785 -1.343) 2.216 8.737 ( 1.861 -2.158 2.729) 3.945 8.783 ( 1.046 -0.799 1.229) 1.801 9.157 ( 3.062 -0.971 -1.660) 3.616 9.338 ( 2.088 -3.316 -0.070) 3.920 9.420 ( -2.203 1.532 1.874) 3.273 9.587 ( -4.977 6.570 -0.144) 8.244 9.952 ( 3.905 -4.440 0.681) 5.952 10.308 ( -0.253 3.134 -7.407) 8.047 10.702 ( 0.045 3.389 10.985) 11.496 10.883 ( -4.875 -3.355 -12.589) 13.910 10.978 ( -0.725 4.382 1.953) 4.852 11.138 ( 1.946 -1.125 -4.072) 4.651 11.682 ( 0.933 -0.331 7.245) 7.312 12.577 ( 0.694 -2.754 0.163) 2.845 13.303 ( 0.335 -0.662 -0.027) 0.742 13.367 ( 0.413 -0.773 0.001) 0.876 14.207 ( 0.706 -0.218 -1.016) 1.256 14.428 ( 3.368 -1.103 4.583) 5.794 14.447 ( 0.634 -3.506 -2.034) 4.103 14.724 ( -3.214 3.454 -3.856) 6.093 20.795 ( -1.960 1.571 -1.703) 3.035 21.011 ( 0.799 0.562 -0.297) 1.021 21.330 ( 3.173 -4.468 5.052) 7.454 21.572 ( -0.187 0.032 0.022) 0.191 21.576 ( -0.139 0.324 -0.369) 0.511 22.188 ( -2.120 3.039 -20.629) 20.959 23.230 ( -1.682 0.652 1.462) 2.322 23.435 ( 0.350 0.025 -0.269) 0.442 23.765 ( 0.355 2.029 9.653) 9.870 23.910 ( -2.050 0.340 5.297) 5.690 24.036 ( -0.019 -1.045 -1.418) 1.761 24.155 ( 0.073 -0.782 0.555) 0.962 24.168 ( 1.673 -1.298 1.195) 2.431 24.301 ( 0.895 -0.278 0.704) 1.172 24.407 ( 1.831 -2.478 0.958) 3.227 24.509 ( 3.738 -4.221 2.884) 6.333 24.528 ( -0.562 -1.166 -0.135) 1.301 25.191 ( -7.762 12.644 -2.314) 15.016 ======================= Grid point 4 (5/93) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 0.000 -0.000 -0.000) 0.000 2.022 ( 0.000 -0.000 0.000) 0.000 2.089 ( 0.000 -0.000 0.000) 0.000 2.092 ( -0.000 -0.000 0.000) 0.000 2.391 ( 0.000 -0.000 0.000) 0.000 2.525 ( 0.000 -0.000 -0.000) 0.000 2.583 ( 0.000 -0.000 -0.000) 0.000 2.767 ( -0.000 -0.000 0.000) 0.000 2.770 ( 0.000 0.000 -0.000) 0.000 2.810 ( 0.000 0.000 -0.000) 0.000 3.078 ( 0.000 -0.000 -0.000) 0.000 3.133 ( 0.000 -0.000 0.000) 0.000 3.140 ( 0.000 0.000 0.000) 0.000 3.203 ( 0.000 -0.000 0.000) 0.000 3.244 ( 0.000 -0.000 0.000) 0.000 3.344 ( 0.000 -0.000 0.000) 0.000 3.511 ( 0.000 -0.000 -0.000) 0.000 3.577 ( 0.000 -0.000 0.000) 0.000 3.681 ( 0.000 -0.000 0.000) 0.000 4.028 ( 0.000 -0.000 0.000) 0.000 4.154 ( 0.000 -0.000 -0.000) 0.000 4.217 ( 0.000 -0.000 0.000) 0.000 4.357 ( 0.000 -0.000 0.000) 0.000 4.380 ( 0.000 -0.000 0.000) 0.000 4.418 ( 0.000 -0.000 -0.000) 0.000 4.468 ( -0.000 -0.000 -0.000) 0.000 4.578 ( 0.000 0.000 0.000) 0.000 4.646 ( 0.000 -0.000 0.000) 0.000 4.735 ( 0.000 -0.000 0.000) 0.000 4.790 ( 0.000 -0.000 0.000) 0.000 4.980 ( 0.000 -0.000 -0.000) 0.000 5.011 ( 0.000 -0.000 0.000) 0.000 5.128 ( 0.000 -0.000 -0.000) 0.000 5.235 ( 0.000 -0.000 0.000) 0.000 5.467 ( -0.000 -0.000 -0.000) 0.000 5.467 ( 0.000 0.000 0.000) 0.000 5.780 ( 0.000 -0.000 0.000) 0.000 5.803 ( 0.000 -0.000 -0.000) 0.000 5.937 ( 0.000 -0.000 0.000) 0.000 6.042 ( 0.000 -0.000 0.000) 0.000 6.968 ( 0.000 -0.000 0.000) 0.000 7.175 ( 0.000 -0.000 0.000) 0.000 7.459 ( 0.000 -0.000 0.000) 0.000 7.747 ( 0.000 -0.000 0.000) 0.000 7.861 ( 0.000 -0.000 0.000) 0.000 8.208 ( 0.000 -0.000 0.000) 0.000 8.240 ( 0.000 -0.000 -0.000) 0.000 8.293 ( 0.000 -0.000 -0.000) 0.000 8.373 ( 0.000 -0.000 0.000) 0.000 8.478 ( 0.000 -0.000 0.000) 0.000 8.648 ( 0.000 -0.000 -0.000) 0.000 8.682 ( 0.000 -0.000 0.000) 0.000 8.780 ( 0.000 -0.000 0.000) 0.000 8.794 ( 0.000 -0.000 -0.000) 0.000 9.178 ( 0.000 -0.000 -0.000) 0.000 9.390 ( 0.000 -0.000 0.000) 0.000 9.421 ( -0.000 0.000 -0.000) 0.000 9.457 ( 0.000 -0.000 0.000) 0.000 10.025 ( 0.000 -0.000 0.000) 0.000 10.258 ( 0.000 -0.000 0.000) 0.000 10.694 ( 0.000 -0.000 0.000) 0.000 10.860 ( 0.000 -0.000 0.000) 0.000 10.939 ( 0.000 -0.000 0.000) 0.000 11.151 ( 0.000 -0.000 0.000) 0.000 11.704 ( 0.000 -0.000 -0.000) 0.000 12.605 ( 0.000 -0.000 0.000) 0.000 13.311 ( 0.000 -0.000 0.000) 0.000 13.377 ( 0.000 -0.000 -0.000) 0.000 14.211 ( 0.000 -0.000 0.000) 0.000 14.460 ( 0.000 -0.000 -0.000) 0.000 14.494 ( 0.000 -0.000 0.000) 0.000 14.655 ( 0.000 -0.000 -0.000) 0.000 20.767 ( 0.000 -0.000 -0.000) 0.000 21.011 ( 0.000 -0.000 0.000) 0.000 21.407 ( 0.000 -0.000 0.000) 0.000 21.567 ( 0.000 -0.000 0.000) 0.000 21.573 ( 0.000 -0.000 0.000) 0.000 22.099 ( 0.000 -0.000 0.000) 0.000 23.218 ( 0.000 -0.000 0.000) 0.000 23.436 ( 0.000 -0.000 0.000) 0.000 23.768 ( 0.000 -0.000 -0.000) 0.000 23.907 ( 0.000 -0.000 0.000) 0.000 24.043 ( 0.000 -0.000 -0.000) 0.000 24.160 ( 0.000 -0.000 0.000) 0.000 24.194 ( 0.000 -0.000 0.000) 0.000 24.309 ( 0.000 -0.000 0.000) 0.000 24.439 ( 0.000 -0.000 0.000) 0.000 24.531 ( 0.000 -0.000 0.000) 0.000 24.619 ( 0.000 -0.000 0.000) 0.000 24.992 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/93) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 22.295 0.000 17.695) 28.463 0.618 ( 33.487 0.000 -7.681) 34.357 1.074 ( 38.073 0.000 37.399) 53.369 2.360 ( 3.182 0.000 -4.218) 5.284 2.471 ( -0.850 -0.000 -9.080) 9.120 2.716 ( -11.272 -0.000 -0.902) 11.308 2.727 ( -3.492 -0.000 0.188) 3.497 2.861 ( -2.361 -0.000 -2.328) 3.315 2.986 ( -5.460 -0.000 2.605) 6.050 2.989 ( -5.831 -0.000 1.242) 5.961 3.173 ( 0.653 0.000 -2.383) 2.471 3.215 ( -2.987 -0.000 8.241) 8.765 3.313 ( -4.152 -0.000 0.187) 4.156 3.320 ( 0.065 0.000 -1.895) 1.896 3.375 ( 0.569 0.000 -6.969) 6.992 3.625 ( -3.042 -0.000 2.267) 3.794 3.686 ( 0.952 0.000 -3.050) 3.195 3.686 ( 3.119 0.000 3.812) 4.926 3.732 ( 1.453 0.000 -10.733) 10.831 3.957 ( -2.491 -0.000 1.395) 2.855 4.055 ( -6.147 -0.000 -2.185) 6.524 4.182 ( -3.681 -0.000 -4.794) 6.044 4.327 ( 3.983 0.000 3.824) 5.521 4.368 ( 1.771 0.000 -8.661) 8.840 4.467 ( 0.689 0.000 -3.039) 3.116 4.474 ( 5.022 0.000 -8.073) 9.508 4.560 ( 1.115 0.000 1.359) 1.758 4.611 ( 4.825 0.000 -15.521) 16.254 4.668 ( 0.600 0.000 -1.178) 1.322 4.727 ( 2.427 0.000 -0.660) 2.515 4.843 ( 3.324 0.000 4.972) 5.980 5.089 ( -1.434 -0.000 2.731) 3.084 5.283 ( -11.934 -0.000 13.656) 18.136 5.499 ( -15.444 -0.000 32.900) 36.345 5.637 ( -0.875 -0.000 0.842) 1.214 5.715 ( -4.812 -0.000 4.308) 6.458 5.730 ( -0.861 -0.000 0.404) 0.952 5.750 ( 3.223 0.000 -3.505) 4.762 5.870 ( 4.766 0.000 5.062) 6.952 6.048 ( -5.126 -0.000 -2.576) 5.737 7.351 ( 2.640 0.000 1.155) 2.881 7.431 ( 2.890 0.000 -2.785) 4.014 7.533 ( -6.444 -0.000 -0.023) 6.444 7.545 ( -9.445 -0.000 1.975) 9.649 7.860 ( 1.027 0.000 -3.610) 3.754 7.918 ( 3.080 0.000 -10.290) 10.741 8.106 ( 5.373 0.000 -0.908) 5.449 8.154 ( 4.896 0.000 10.525) 11.607 8.197 ( 3.672 0.000 0.011) 3.672 8.320 ( 3.826 0.000 3.622) 5.268 8.565 ( 2.575 0.000 2.637) 3.685 8.604 ( 1.957 0.000 -1.895) 2.725 8.818 ( -5.615 -0.000 0.707) 5.659 8.848 ( -3.022 -0.000 -3.118) 4.342 9.093 ( 1.611 0.000 -1.972) 2.547 9.302 ( 5.586 0.000 -7.711) 9.521 9.414 ( -0.687 -0.000 11.924) 11.943 9.887 ( -6.474 -0.000 -2.655) 6.997 9.926 ( -0.413 -0.000 0.660) 0.779 10.375 ( 21.198 0.000 -55.315) 59.237 10.591 ( -0.433 -0.000 -14.120) 14.127 10.828 ( -2.016 -0.000 15.628) 15.758 11.143 ( -2.804 -0.000 -2.966) 4.081 11.202 ( -2.196 -0.000 -1.552) 2.690 11.678 ( -6.613 -0.000 33.077) 33.731 12.382 ( 1.787 0.000 -0.172) 1.796 13.271 ( 0.431 0.000 0.128) 0.450 13.330 ( 0.559 0.000 -0.076) 0.564 14.200 ( 1.338 0.000 -1.134) 1.754 14.323 ( 2.257 0.000 -3.122) 3.853 14.350 ( 2.369 0.000 2.431) 3.394 14.784 ( 5.210 0.000 -18.315) 19.042 20.980 ( -3.231 -0.000 -0.770) 3.322 21.127 ( 1.528 0.000 3.426) 3.752 21.155 ( 1.074 0.000 -3.260) 3.432 21.581 ( -0.095 -0.000 0.065) 0.115 21.582 ( -0.026 -0.000 -0.168) 0.170 21.953 ( 28.020 0.000 -80.152) 84.909 23.284 ( -2.531 -0.000 1.136) 2.774 23.438 ( 1.045 0.000 0.378) 1.111 23.791 ( -1.668 -0.000 0.331) 1.700 23.982 ( -1.180 -0.000 -4.385) 4.541 24.056 ( 2.428 0.000 2.731) 3.654 24.127 ( -2.056 -0.000 6.714) 7.022 24.142 ( -12.748 -0.000 39.762) 41.756 24.295 ( 3.638 0.000 0.080) 3.639 24.332 ( 1.511 0.000 1.356) 2.030 24.354 ( -0.045 -0.000 -0.459) 0.461 24.546 ( -16.837 -0.000 42.222) 45.456 25.746 ( -9.445 -0.000 -0.589) 9.463 ======================= Grid point 11 (7/93) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 20.751 -6.434 13.007) 25.322 1.098 ( 25.719 -15.957 -2.292) 30.353 1.765 ( 30.846 -18.050 29.787) 46.525 2.358 ( 1.304 0.401 -8.457) 8.566 2.410 ( -2.959 1.937 -18.711) 19.043 2.574 ( -9.513 4.079 -0.253) 10.354 2.647 ( -6.170 0.700 2.033) 6.534 2.823 ( -9.096 0.112 0.871) 9.138 2.868 ( -1.314 1.023 4.171) 4.491 3.034 ( -4.752 -3.045 3.543) 6.664 3.074 ( -4.266 7.711 -2.023) 9.042 3.184 ( -1.913 7.003 3.177) 7.924 3.252 ( -0.239 0.694 5.862) 5.908 3.289 ( -2.528 -0.349 -0.591) 2.619 3.341 ( 1.418 1.865 -4.545) 5.113 3.523 ( -3.200 8.668 1.034) 9.297 3.625 ( -8.058 0.255 -0.635) 8.087 3.652 ( -0.324 3.793 -7.280) 8.215 3.771 ( -2.557 -3.656 2.016) 4.896 4.017 ( 6.292 -4.660 -0.800) 7.871 4.078 ( -3.138 -7.674 -2.597) 8.688 4.150 ( -1.896 -2.415 -8.207) 8.762 4.287 ( 2.104 6.038 -0.593) 6.422 4.344 ( 2.791 1.745 -7.416) 8.114 4.454 ( 2.911 2.162 -0.463) 3.655 4.512 ( 0.666 -2.316 -4.486) 5.092 4.566 ( 4.963 0.626 -3.207) 5.942 4.683 ( 4.262 -4.478 -8.925) 10.857 4.725 ( -0.242 -4.876 -3.210) 5.843 4.742 ( 2.381 1.459 4.268) 5.100 4.847 ( -0.012 3.534 -1.333) 3.777 5.034 ( -2.984 2.949 12.677) 13.353 5.234 ( -6.703 2.246 11.668) 13.643 5.404 ( -7.709 5.174 12.803) 15.815 5.632 ( -1.420 0.202 -0.476) 1.512 5.668 ( -3.135 2.527 5.153) 6.540 5.725 ( -1.424 -0.825 -0.064) 1.647 5.760 ( -1.603 -2.719 -4.362) 5.384 5.894 ( 1.484 3.393 1.687) 4.069 6.005 ( 0.648 -0.170 -2.005) 2.114 7.328 ( -5.613 5.623 0.345) 7.952 7.419 ( -7.568 3.199 1.152) 8.296 7.432 ( -0.488 1.517 -1.226) 2.011 7.506 ( 3.305 -4.404 -1.636) 5.744 7.792 ( 4.798 2.542 -3.868) 6.666 8.033 ( 1.144 -6.973 -3.793) 8.020 8.143 ( 3.608 0.391 -3.744) 5.214 8.252 ( 4.352 -1.360 7.285) 8.594 8.330 ( 3.031 -7.697 1.447) 8.398 8.441 ( 3.513 -5.567 6.387) 9.173 8.586 ( -0.325 1.320 2.677) 3.002 8.637 ( 1.708 -2.239 -1.468) 3.176 8.720 ( -6.933 3.685 0.286) 7.857 8.786 ( -0.803 1.686 -3.243) 3.742 9.130 ( 2.142 -2.147 -5.492) 6.274 9.312 ( 6.607 3.300 4.030) 8.413 9.418 ( 0.975 0.203 2.937) 3.101 9.775 ( -7.837 3.113 -1.283) 8.530 9.902 ( 2.511 2.166 -0.273) 3.327 10.391 ( 3.011 -0.283 -17.044) 17.311 10.627 ( -1.066 -9.367 -22.879) 24.745 10.837 ( -2.135 2.705 14.559) 14.961 11.111 ( -3.179 -0.203 3.016) 4.387 11.142 ( 0.463 3.118 -7.356) 8.003 11.719 ( -0.147 2.261 18.056) 18.198 12.438 ( 1.604 -3.892 -0.102) 4.210 13.280 ( 0.641 -0.422 0.064) 0.770 13.341 ( 0.793 -0.485 -0.089) 0.934 14.208 ( 2.159 0.189 -1.690) 2.749 14.353 ( 1.888 -1.977 -2.134) 3.468 14.384 ( 4.170 0.026 2.851) 5.051 14.778 ( -1.383 -1.038 -9.003) 9.168 20.905 ( -2.682 4.019 -0.801) 4.898 21.082 ( 3.284 4.528 -3.669) 6.689 21.187 ( 2.729 -2.739 4.888) 6.232 21.577 ( -0.187 0.229 -0.031) 0.297 21.582 ( -0.071 0.001 -0.139) 0.156 22.055 ( 6.367 -11.310 -48.905) 50.598 23.254 ( -3.329 0.617 2.309) 4.098 23.447 ( 1.200 0.546 0.449) 1.393 23.780 ( -1.440 -0.185 -0.092) 1.455 23.971 ( -0.515 -1.508 -3.203) 3.578 24.074 ( -5.860 3.811 23.394) 24.416 24.116 ( 1.942 -0.064 7.352) 7.604 24.174 ( 0.227 0.867 9.258) 9.302 24.308 ( 2.850 1.581 1.149) 3.456 24.349 ( 1.569 -0.115 -1.105) 1.923 24.388 ( 2.488 -3.014 -0.316) 3.921 24.516 ( -5.632 1.541 14.860) 15.966 25.568 ( -12.563 6.800 -1.671) 14.382 ======================= Grid point 12 (8/93) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 15.975 -13.046 11.225) 23.482 1.601 ( 18.614 -16.767 -2.189) 25.148 2.187 ( -5.849 6.031 -19.333) 21.079 2.288 ( -4.719 3.198 -5.982) 8.263 2.380 ( 9.613 -6.226 10.670) 15.653 2.434 ( 5.519 -0.973 -0.566) 5.632 2.612 ( -8.164 -2.393 4.103) 9.445 2.813 ( -5.318 0.308 5.822) 7.891 2.848 ( -3.918 1.526 2.750) 5.024 2.903 ( 0.053 -2.305 3.450) 4.149 2.996 ( -0.817 7.569 2.411) 7.986 3.106 ( 0.526 2.201 4.694) 5.212 3.226 ( -0.497 1.429 -3.366) 3.691 3.291 ( 0.708 3.632 -2.552) 4.495 3.323 ( -2.157 -2.369 7.968) 8.588 3.339 ( -2.438 6.707 -3.161) 7.805 3.501 ( -8.061 3.052 2.107) 8.873 3.584 ( -0.993 1.035 -3.170) 3.479 3.756 ( -4.822 1.144 -0.853) 5.028 4.130 ( -4.531 -7.011 -10.205) 13.184 4.164 ( 2.308 -2.343 -6.182) 7.003 4.196 ( 5.867 -4.279 -5.233) 8.951 4.265 ( 5.438 1.567 7.389) 9.307 4.294 ( -1.166 2.097 -7.127) 7.520 4.419 ( 1.500 3.008 -0.340) 3.379 4.516 ( 2.122 1.967 -2.753) 3.994 4.626 ( 4.287 -1.421 2.799) 5.314 4.677 ( -3.967 5.456 6.086) 9.085 4.729 ( 0.856 -2.824 -7.575) 8.130 4.790 ( 0.763 -3.227 0.066) 3.317 4.857 ( 3.998 -2.473 -5.267) 7.060 5.006 ( -0.925 3.902 12.016) 12.668 5.171 ( -3.551 1.784 4.105) 5.714 5.299 ( -4.573 3.269 4.297) 7.075 5.565 ( -1.169 4.128 -5.933) 7.322 5.609 ( -1.254 4.222 5.228) 6.836 5.742 ( -0.693 -2.186 3.137) 3.886 5.803 ( -5.256 -5.665 -2.869) 8.243 5.842 ( 1.798 2.817 -0.795) 3.435 6.026 ( 2.234 -0.590 -0.087) 2.312 7.118 ( -8.564 7.378 -0.516) 11.316 7.283 ( -5.814 4.416 1.158) 7.392 7.440 ( 1.921 -0.556 -2.309) 3.055 7.645 ( 5.284 -5.491 0.273) 7.626 7.822 ( 5.315 -0.824 -2.078) 5.766 8.133 ( 0.561 -4.366 -0.681) 4.455 8.157 ( 2.439 -0.808 -3.928) 4.694 8.348 ( 4.097 -1.635 5.572) 7.107 8.462 ( -0.560 -3.030 -0.811) 3.186 8.505 ( -3.777 4.502 0.521) 5.900 8.542 ( -1.464 0.531 2.608) 3.037 8.628 ( -1.625 -3.327 2.199) 4.306 8.706 ( 1.329 -3.343 0.960) 3.723 8.785 ( 1.939 -0.732 -0.554) 2.146 9.151 ( 2.689 -0.861 -7.503) 8.016 9.344 ( 1.253 0.699 7.531) 7.666 9.433 ( 0.390 0.518 0.391) 0.758 9.624 ( -7.872 4.646 0.552) 9.158 9.943 ( 5.981 -1.986 -0.639) 6.335 10.333 ( 0.245 2.595 -7.326) 7.776 10.643 ( -5.248 -5.012 -15.722) 17.316 10.834 ( 0.154 1.402 9.312) 9.419 11.051 ( -3.856 3.810 6.052) 8.125 11.128 ( 4.159 -1.055 -7.757) 8.865 11.737 ( 0.637 2.140 8.940) 9.215 12.524 ( 0.810 -4.194 0.089) 4.273 13.297 ( 0.690 -0.609 -0.047) 0.921 13.360 ( 0.845 -0.707 -0.045) 1.103 14.221 ( 2.011 0.331 -1.162) 2.346 14.395 ( 0.642 -2.150 -1.906) 2.944 14.454 ( 3.830 -1.644 3.558) 5.480 14.720 ( -2.757 1.707 -4.827) 5.815 20.818 ( -1.105 3.142 0.104) 3.333 21.043 ( 1.677 1.947 -2.491) 3.579 21.303 ( 3.399 -4.281 5.205) 7.548 21.570 ( -0.372 0.168 -0.110) 0.423 21.578 ( -0.029 0.206 -0.271) 0.342 22.054 ( -0.463 -4.461 -30.027) 30.360 23.223 ( -3.040 0.320 2.769) 4.125 23.448 ( 1.040 0.733 0.163) 1.283 23.759 ( -1.507 0.238 -3.078) 3.435 23.992 ( -0.152 -1.005 2.418) 2.623 24.049 ( -2.782 3.441 19.123) 19.628 24.170 ( 2.573 0.920 3.191) 4.201 24.188 ( 2.544 0.177 2.115) 3.314 24.324 ( 2.628 0.583 0.195) 2.699 24.387 ( 2.195 -2.178 0.270) 3.104 24.465 ( 1.588 -3.978 -1.235) 4.458 24.506 ( -2.618 -0.527 6.169) 6.722 25.277 ( -12.820 10.033 -3.262) 16.603 ======================= Grid point 13 (9/93) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 12.049 -11.884 7.963) 18.703 1.979 ( 5.676 -8.908 -4.510) 11.485 2.022 ( -2.749 0.363 -4.713) 5.468 2.116 ( -1.081 4.030 -3.749) 5.610 2.392 ( 0.990 -0.350 -8.198) 8.265 2.505 ( -2.381 0.864 5.478) 6.036 2.623 ( -7.393 -1.471 1.810) 7.753 2.731 ( -0.588 5.036 1.321) 5.240 2.823 ( -0.130 1.833 2.136) 2.818 2.851 ( 2.741 4.266 3.780) 6.325 3.060 ( -1.132 -4.000 4.626) 6.220 3.146 ( -0.528 -1.372 5.512) 5.705 3.167 ( 0.822 4.544 -4.481) 6.434 3.203 ( -0.612 2.878 -1.079) 3.134 3.261 ( 1.604 0.501 -1.484) 2.242 3.362 ( -1.032 0.433 4.643) 4.775 3.442 ( -4.963 -3.022 0.294) 5.818 3.588 ( 0.335 -1.750 -0.342) 1.814 3.683 ( -1.363 1.583 0.376) 2.122 4.038 ( -8.245 4.510 -8.238) 12.498 4.158 ( 0.649 1.910 -6.666) 6.964 4.192 ( 2.778 -0.701 -7.681) 8.198 4.334 ( 3.973 -5.422 -6.410) 9.289 4.358 ( 1.916 -1.610 5.405) 5.956 4.421 ( 0.411 1.517 3.108) 3.483 4.523 ( 6.790 -0.093 5.171) 8.535 4.568 ( -3.335 3.080 1.396) 4.749 4.673 ( -2.543 1.571 1.652) 3.416 4.756 ( 0.856 -1.098 -3.741) 3.992 4.814 ( 2.367 1.491 5.001) 5.731 4.935 ( 1.095 -4.118 -2.199) 4.795 5.021 ( 2.423 -0.907 4.805) 5.458 5.109 ( -2.610 1.012 -1.528) 3.189 5.266 ( -0.437 0.625 3.994) 4.066 5.457 ( 0.094 3.980 -7.542) 8.528 5.546 ( -0.643 3.832 6.388) 7.476 5.764 ( -4.020 -0.093 -2.332) 4.648 5.783 ( -1.109 -1.691 3.379) 3.938 5.881 ( -0.417 -3.548 -3.761) 5.188 6.058 ( 2.168 0.118 0.677) 2.274 6.949 ( -6.096 2.325 -1.244) 6.642 7.187 ( -2.201 1.831 1.032) 3.043 7.454 ( 0.886 -0.338 -2.157) 2.357 7.764 ( 4.313 -1.550 1.973) 4.990 7.891 ( 5.871 -0.311 0.254) 5.885 8.184 ( 1.725 -1.727 -1.690) 2.969 8.200 ( -0.316 -3.189 -2.056) 3.808 8.339 ( -3.339 4.630 1.020) 5.799 8.397 ( -1.420 3.509 0.687) 3.847 8.470 ( 2.114 -2.325 1.909) 3.677 8.590 ( -1.637 -4.464 -1.534) 4.996 8.684 ( -0.167 -0.460 1.416) 1.498 8.765 ( -0.471 -2.012 1.221) 2.400 8.804 ( 0.465 0.729 0.943) 1.279 9.164 ( 1.629 -0.878 -5.329) 5.641 9.355 ( -3.262 -0.945 1.275) 3.628 9.441 ( 3.526 0.150 0.983) 3.663 9.487 ( -5.007 3.603 3.813) 7.252 10.027 ( 2.986 -1.031 -1.406) 3.458 10.275 ( 0.096 1.706 0.021) 1.709 10.602 ( -4.687 -3.031 -12.253) 13.465 10.868 ( 3.193 -0.693 2.184) 3.931 10.988 ( -2.286 2.623 8.004) 8.727 11.159 ( 2.525 -0.406 -2.103) 3.311 11.724 ( -0.154 2.136 1.906) 2.867 12.586 ( 0.076 -2.257 0.067) 2.259 13.311 ( 0.440 -0.267 -0.066) 0.519 13.377 ( 0.553 -0.284 -0.014) 0.622 14.225 ( 1.261 0.709 -0.127) 1.452 14.417 ( -1.042 -1.404 -3.207) 3.653 14.529 ( 2.280 -0.618 4.683) 5.245 14.652 ( -1.105 1.021 -2.603) 3.007 20.785 ( 1.063 1.052 1.819) 2.355 21.020 ( 0.253 0.909 -1.717) 1.959 21.403 ( 1.678 -1.175 0.942) 2.255 21.564 ( -0.220 -0.096 -0.060) 0.248 21.574 ( 0.032 0.141 -0.126) 0.192 22.027 ( -1.168 -4.703 -11.273) 12.271 23.208 ( -1.762 -0.485 1.870) 2.615 23.445 ( 0.693 0.649 0.112) 0.956 23.720 ( -1.625 0.164 -7.107) 7.292 24.004 ( 0.330 3.019 11.881) 12.263 24.051 ( 0.294 0.502 4.731) 4.767 24.170 ( 1.355 0.816 -0.882) 1.811 24.221 ( 2.981 1.182 1.648) 3.606 24.328 ( 1.935 1.341 -1.096) 2.597 24.433 ( 0.240 -0.780 0.018) 0.817 24.508 ( -1.655 -1.727 0.912) 2.560 24.578 ( 0.521 -4.735 1.769) 5.081 24.998 ( -8.282 5.557 -3.215) 10.479 ======================= Grid point 14 (10/93) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -4.162 15.852 -2.945) 16.651 2.064 ( -0.071 2.340 0.627) 2.423 2.117 ( 4.079 2.017 10.293) 11.254 2.191 ( 5.306 -11.824 7.267) 14.858 2.336 ( -1.795 -0.214 -4.035) 4.421 2.476 ( -2.417 2.609 -4.385) 5.646 2.622 ( 2.385 -10.209 -5.882) 12.021 2.728 ( -0.049 -0.965 -6.296) 6.369 2.804 ( 1.266 2.224 2.363) 3.483 2.878 ( 3.105 0.024 8.475) 9.026 3.064 ( -5.251 3.707 3.443) 7.292 3.101 ( -0.781 -1.324 -4.030) 4.313 3.129 ( -1.693 4.795 -0.430) 5.104 3.205 ( 1.118 -1.251 0.525) 1.758 3.238 ( 2.655 -1.559 -3.013) 4.308 3.351 ( 0.461 1.649 2.257) 2.833 3.453 ( -3.772 -2.558 -2.284) 5.098 3.514 ( -5.969 3.409 -0.241) 6.878 3.667 ( -1.314 -3.264 0.050) 3.519 4.008 ( -2.720 -2.835 -6.349) 7.466 4.146 ( 5.227 -2.130 0.223) 5.649 4.185 ( 1.731 0.281 -7.932) 8.123 4.331 ( -3.529 2.691 5.394) 6.985 4.431 ( 1.836 -3.442 -3.664) 5.352 4.443 ( 0.927 1.399 6.525) 6.737 4.510 ( -2.300 0.482 -1.295) 2.683 4.587 ( -0.511 4.422 0.679) 4.503 4.655 ( 5.271 -3.707 4.574) 7.902 4.710 ( -0.470 4.500 -1.810) 4.873 4.854 ( 0.318 -1.598 5.883) 6.105 4.940 ( 1.453 1.551 -5.646) 6.032 5.094 ( 2.263 1.540 7.251) 7.750 5.133 ( 0.971 -5.779 -1.702) 6.102 5.247 ( 0.270 3.092 1.024) 3.269 5.396 ( -0.571 -1.078 -6.670) 6.781 5.546 ( 0.871 -0.923 8.030) 8.130 5.737 ( -2.288 -1.687 -4.278) 5.136 5.802 ( -0.926 -0.382 2.893) 3.062 5.888 ( -2.372 -0.952 -4.919) 5.543 6.057 ( 1.023 2.290 0.854) 2.650 6.927 ( -2.330 -5.375 -1.831) 6.138 7.200 ( 1.392 -3.356 0.902) 3.743 7.450 ( -0.276 0.532 -0.664) 0.895 7.793 ( 3.286 3.544 2.051) 5.251 7.912 ( 2.465 4.076 2.851) 5.552 8.172 ( -2.356 2.023 -4.483) 5.453 8.223 ( 1.122 -0.215 -0.021) 1.143 8.329 ( 0.617 -4.880 -0.385) 4.934 8.381 ( 2.155 -1.642 1.811) 3.259 8.531 ( 2.476 -0.119 3.000) 3.891 8.610 ( -3.043 -0.129 -2.170) 3.740 8.649 ( -2.211 1.211 -0.310) 2.540 8.752 ( -1.332 3.401 -1.275) 3.869 8.780 ( -1.774 0.830 0.941) 2.173 9.149 ( -1.667 1.340 -3.143) 3.802 9.349 ( -1.559 -1.410 0.459) 2.152 9.430 ( 0.835 1.170 1.296) 1.935 9.524 ( 2.493 -4.494 1.993) 5.512 9.998 ( -1.116 4.044 -2.306) 4.788 10.298 ( 0.888 -1.902 7.455) 7.745 10.569 ( -3.244 -3.534 -13.168) 14.014 10.923 ( 2.306 -2.065 -2.385) 3.907 10.996 ( 1.787 -0.236 9.639) 9.806 11.169 ( 0.394 1.357 3.957) 4.202 11.674 ( -0.992 2.538 -4.068) 4.897 12.600 ( -0.398 0.494 -0.048) 0.636 13.312 ( 0.061 0.443 -0.014) 0.447 13.378 ( 0.082 0.590 -0.017) 0.596 14.224 ( 0.911 0.825 1.075) 1.632 14.390 ( -2.753 0.554 -4.293) 5.130 14.515 ( -0.366 3.687 2.243) 4.331 14.694 ( 2.223 -4.296 1.461) 5.053 20.813 ( 3.043 -0.488 3.210) 4.449 21.002 ( -1.016 0.078 -1.298) 1.650 21.359 ( -1.646 4.402 -4.526) 6.524 21.572 ( 0.052 -0.213 0.205) 0.300 21.573 ( 0.210 -0.195 0.081) 0.298 22.143 ( 0.882 -9.509 6.082) 11.322 23.220 ( -0.159 -1.314 0.857) 1.577 23.440 ( 0.298 0.537 0.166) 0.637 23.666 ( -1.842 -0.117 -11.437) 11.585 23.998 ( 1.994 3.682 9.283) 10.184 24.061 ( 0.714 0.553 1.776) 1.992 24.161 ( 0.811 0.808 -3.099) 3.303 24.212 ( 1.733 3.303 1.788) 4.136 24.311 ( 0.645 1.512 -1.246) 2.062 24.421 ( -1.227 1.283 -0.607) 1.876 24.513 ( -2.750 1.228 -2.867) 4.159 24.543 ( -3.982 2.240 0.563) 4.604 25.034 ( 2.492 -11.595 0.922) 11.895 ======================= Grid point 15 (11/93) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -2.459 21.613 -2.385) 21.883 1.693 ( -4.042 27.441 4.798) 28.148 2.165 ( -2.295 21.603 -6.630) 22.713 2.338 ( 1.152 -7.741 1.238) 7.923 2.415 ( -1.255 -5.460 2.020) 5.955 2.521 ( 5.710 -8.681 13.733) 17.221 2.639 ( -0.023 4.411 -1.551) 4.676 2.728 ( -0.302 -1.682 -14.521) 14.621 2.867 ( -0.096 -5.595 -0.438) 5.613 2.903 ( -0.867 -6.956 0.679) 7.043 3.023 ( 1.719 -0.590 5.220) 5.527 3.062 ( 0.640 -1.676 3.499) 3.932 3.126 ( -1.240 -3.920 -3.569) 5.445 3.274 ( 3.462 -3.263 0.384) 4.773 3.332 ( 4.651 0.075 -4.466) 6.448 3.404 ( -1.253 -7.025 1.278) 7.250 3.431 ( -4.073 -3.497 -1.507) 5.576 3.484 ( -1.926 -3.706 2.342) 4.789 3.769 ( -0.293 -7.311 -0.844) 7.365 3.974 ( -1.911 -1.981 -3.450) 4.414 4.140 ( 1.772 3.750 -4.586) 6.183 4.179 ( -2.619 1.452 3.577) 4.665 4.294 ( 0.834 9.731 4.510) 10.758 4.401 ( -3.049 3.568 1.062) 4.812 4.437 ( -0.232 -4.575 -1.960) 4.983 4.502 ( -1.617 -2.342 -2.607) 3.859 4.586 ( -0.201 -0.429 1.397) 1.475 4.638 ( 1.767 2.098 0.869) 2.877 4.736 ( -1.036 -3.786 -1.779) 4.310 4.896 ( 2.902 4.427 -1.163) 5.420 4.961 ( 6.767 -1.200 11.261) 13.192 5.066 ( 0.793 4.316 3.677) 5.725 5.161 ( -1.780 2.917 -7.745) 8.465 5.249 ( 1.161 -4.306 -1.336) 4.655 5.438 ( -0.742 -6.559 -2.665) 7.118 5.638 ( 2.198 -3.089 7.759) 8.636 5.733 ( -1.595 -1.628 -3.548) 4.217 5.804 ( -1.357 -0.053 -0.189) 1.371 5.845 ( -1.809 0.534 -3.663) 4.120 6.022 ( 0.265 2.026 0.606) 2.132 7.055 ( 0.085 -10.518 -1.377) 10.608 7.316 ( 2.146 -6.762 0.604) 7.120 7.432 ( -0.384 0.715 0.353) 0.885 7.721 ( 1.460 8.031 1.306) 8.267 7.845 ( -0.471 4.750 2.164) 5.241 8.099 ( -1.413 2.374 -3.241) 4.259 8.226 ( 1.178 1.136 2.552) 3.032 8.434 ( 3.647 -2.198 -2.187) 4.787 8.456 ( -1.276 -0.123 -0.564) 1.401 8.506 ( 2.692 4.928 2.966) 6.350 8.558 ( 0.833 0.319 -0.822) 1.213 8.646 ( -5.132 -0.182 -2.279) 5.618 8.663 ( -0.198 -1.038 2.769) 2.964 8.739 ( -1.773 1.524 -1.871) 2.994 9.069 ( -3.058 3.323 -2.290) 5.063 9.356 ( 0.444 2.016 4.982) 5.393 9.432 ( 0.771 0.523 -3.311) 3.440 9.659 ( 1.802 -7.641 0.227) 7.854 9.890 ( -1.514 4.667 -0.363) 4.920 10.402 ( 1.683 -3.715 11.959) 12.635 10.557 ( -2.615 -4.792 -14.748) 15.726 10.981 ( 0.028 -4.252 0.555) 4.289 11.081 ( 4.307 -2.243 2.738) 5.575 11.155 ( -0.445 2.995 9.004) 9.499 11.587 ( -1.497 3.315 -7.812) 8.617 12.562 ( -0.537 3.277 -0.087) 3.322 13.299 ( -0.112 0.930 -0.004) 0.937 13.361 ( -0.134 1.086 -0.001) 1.094 14.225 ( 1.258 1.062 2.285) 2.817 14.319 ( -3.318 1.969 -3.980) 5.543 14.448 ( -0.439 4.039 0.962) 4.175 14.809 ( 1.926 -5.175 2.123) 5.916 20.869 ( 2.631 -0.548 2.593) 3.735 20.998 ( -0.732 -1.581 -0.416) 1.792 21.229 ( -2.249 5.631 -3.491) 6.997 21.573 ( 0.016 -0.100 -0.019) 0.103 21.582 ( 0.162 -0.257 0.101) 0.320 22.383 ( 1.666 -11.408 13.892) 18.053 23.255 ( 0.988 -1.769 0.837) 2.192 23.433 ( 0.040 0.425 -0.024) 0.428 23.596 ( -2.105 0.047 -14.623) 14.773 23.987 ( 2.751 3.601 3.778) 5.900 24.058 ( 0.377 1.141 1.518) 1.936 24.124 ( -1.295 1.936 -2.132) 3.158 24.162 ( 0.883 4.185 -0.089) 4.279 24.280 ( -0.212 1.332 -1.883) 2.316 24.361 ( -1.611 2.734 -0.463) 3.207 24.415 ( -2.912 1.958 -0.791) 3.597 24.536 ( 0.149 0.204 0.019) 0.254 25.315 ( 3.000 -15.376 0.751) 15.684 ======================= Grid point 16 (12/93) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -0.000 24.522 -0.000) 24.522 1.161 ( -0.000 31.955 -0.000) 31.955 1.524 ( -0.000 40.765 -0.000) 40.765 2.433 ( -0.000 1.402 -0.000) 1.402 2.566 ( -0.000 2.688 -0.000) 2.688 2.577 ( 0.000 -8.517 0.000) 8.517 2.634 ( 0.000 -7.395 0.000) 7.395 2.833 ( 0.000 -6.870 0.000) 6.870 2.934 ( 0.000 -4.580 0.000) 4.580 3.065 ( 0.000 -1.759 0.000) 1.759 3.079 ( 0.000 -10.685 0.000) 10.685 3.159 ( 0.000 -4.291 0.000) 4.291 3.207 ( 0.000 -6.552 0.000) 6.552 3.293 ( -0.000 1.687 -0.000) 1.687 3.373 ( -0.000 1.464 -0.000) 1.464 3.413 ( 0.000 -6.166 0.000) 6.166 3.568 ( 0.000 -5.632 0.000) 5.632 3.583 ( 0.000 -7.461 0.000) 7.461 3.852 ( 0.000 -2.924 0.000) 2.924 4.003 ( -0.000 6.443 -0.000) 6.443 4.088 ( 0.000 -4.759 0.000) 4.759 4.149 ( -0.000 2.073 -0.000) 2.073 4.171 ( 0.000 -1.358 0.000) 1.358 4.313 ( -0.000 4.123 -0.000) 4.123 4.504 ( 0.000 -2.022 0.000) 2.022 4.547 ( 0.000 -4.858 0.000) 4.858 4.557 ( -0.000 2.188 -0.000) 2.188 4.611 ( -0.000 3.170 -0.000) 3.170 4.794 ( -0.000 7.679 -0.000) 7.679 4.852 ( 0.000 -7.718 0.000) 7.718 4.939 ( -0.000 7.365 -0.000) 7.365 5.027 ( -0.000 5.883 -0.000) 5.883 5.157 ( 0.000 -6.439 0.000) 6.439 5.310 ( 0.000 -3.238 0.000) 3.238 5.564 ( 0.000 -7.930 0.000) 7.930 5.710 ( 0.000 -0.424 0.000) 0.424 5.721 ( -0.000 0.779 -0.000) 0.779 5.772 ( -0.000 0.926 -0.000) 0.926 5.831 ( -0.000 0.411 -0.000) 0.411 6.025 ( 0.000 -2.399 0.000) 2.399 7.232 ( 0.000 -8.379 0.000) 8.379 7.429 ( 0.000 -3.745 0.000) 3.745 7.458 ( 0.000 -4.579 0.000) 4.579 7.590 ( -0.000 6.569 -0.000) 6.569 7.776 ( -0.000 3.316 -0.000) 3.316 8.042 ( -0.000 2.331 -0.000) 2.331 8.221 ( -0.000 2.044 -0.000) 2.044 8.304 ( -0.000 8.956 -0.000) 8.956 8.372 ( -0.000 10.084 -0.000) 10.084 8.508 ( 0.000 -1.119 0.000) 1.119 8.580 ( 0.000 -0.426 0.000) 0.426 8.666 ( -0.000 3.493 -0.000) 3.493 8.685 ( 0.000 -6.443 0.000) 6.443 8.768 ( 0.000 -6.520 0.000) 6.520 8.974 ( -0.000 4.359 -0.000) 4.359 9.290 ( -0.000 7.671 -0.000) 7.671 9.398 ( -0.000 1.726 -0.000) 1.726 9.804 ( 0.000 -7.083 0.000) 7.083 9.852 ( 0.000 -1.419 0.000) 1.419 10.499 ( 0.000 -1.555 0.000) 1.555 10.600 ( 0.000 -6.755 0.000) 6.755 11.075 ( 0.000 -6.048 0.000) 6.048 11.122 ( -0.000 2.388 -0.000) 2.388 11.157 ( 0.000 -1.696 0.000) 1.696 11.489 ( -0.000 3.839 -0.000) 3.839 12.484 ( -0.000 5.004 -0.000) 5.004 13.282 ( -0.000 0.864 -0.000) 0.864 13.342 ( -0.000 0.948 -0.000) 0.948 14.225 ( -0.000 1.321 -0.000) 1.321 14.244 ( -0.000 2.276 -0.000) 2.276 14.382 ( -0.000 3.410 -0.000) 3.410 14.910 ( 0.000 -4.405 0.000) 4.405 20.889 ( 0.000 -0.181 0.000) 0.181 21.041 ( 0.000 -2.781 0.000) 2.781 21.115 ( -0.000 4.811 -0.000) 4.811 21.576 ( 0.000 -0.212 0.000) 0.212 21.585 ( 0.000 -0.028 0.000) 0.028 22.637 ( 0.000 -11.261 0.000) 11.261 23.296 ( 0.000 -1.354 0.000) 1.354 23.431 ( 0.000 -0.232 0.000) 0.232 23.525 ( -0.000 1.360 -0.000) 1.360 23.941 ( -0.000 4.091 -0.000) 4.091 24.043 ( -0.000 1.094 -0.000) 1.094 24.081 ( -0.000 1.494 -0.000) 1.494 24.097 ( -0.000 2.997 -0.000) 2.997 24.259 ( -0.000 0.572 -0.000) 0.572 24.317 ( -0.000 1.442 -0.000) 1.442 24.364 ( -0.000 2.295 -0.000) 2.295 24.525 ( -0.000 1.055 -0.000) 1.055 25.588 ( 0.000 -13.442 0.000) 13.442 ======================= Grid point 19 (13/93) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 21.658 0.000 14.475) 26.050 1.205 ( 29.976 0.000 -5.126) 30.411 2.074 ( 33.155 0.000 32.945) 46.740 2.332 ( -2.878 -0.000 -20.169) 20.374 2.338 ( 0.423 0.000 -13.292) 13.299 2.517 ( -13.466 -0.000 -5.542) 14.562 2.544 ( -6.108 -0.000 5.793) 8.418 2.748 ( -5.798 -0.000 1.385) 5.961 2.870 ( -5.324 -0.000 4.165) 6.760 2.991 ( -2.538 -0.000 13.466) 13.703 3.110 ( -7.530 -0.000 -3.269) 8.209 3.198 ( -6.450 -0.000 6.621) 9.244 3.272 ( 0.634 0.000 2.673) 2.747 3.283 ( -1.773 -0.000 -1.418) 2.270 3.340 ( 0.085 0.000 -3.834) 3.835 3.515 ( -6.292 -0.000 0.061) 6.292 3.625 ( -6.920 -0.000 -3.411) 7.715 3.638 ( -4.948 -0.000 0.191) 4.952 3.659 ( -2.913 -0.000 -6.485) 7.109 3.967 ( -2.339 -0.000 -1.471) 2.763 4.011 ( 3.119 0.000 -4.663) 5.609 4.067 ( 2.490 0.000 -8.033) 8.410 4.341 ( 5.878 0.000 -11.332) 12.765 4.373 ( 3.960 0.000 -4.150) 5.736 4.506 ( 4.441 0.000 -6.151) 7.587 4.556 ( 4.775 0.000 3.875) 6.149 4.603 ( -2.163 -0.000 1.983) 2.935 4.640 ( 4.471 0.000 -9.701) 10.682 4.673 ( 2.853 0.000 0.131) 2.856 4.810 ( 3.360 0.000 3.143) 4.601 4.872 ( 0.682 0.000 -0.582) 0.896 5.109 ( -3.790 -0.000 12.574) 13.133 5.156 ( -10.536 -0.000 11.719) 15.759 5.399 ( -11.026 -0.000 9.542) 14.582 5.616 ( -1.809 -0.000 0.316) 1.836 5.662 ( -2.180 -0.000 1.734) 2.785 5.675 ( -5.756 -0.000 -4.765) 7.472 5.737 ( 0.340 0.000 4.086) 4.100 5.983 ( 1.183 0.000 -4.193) 4.357 5.999 ( 4.948 0.000 0.761) 5.006 7.309 ( -8.727 -0.000 -1.761) 8.903 7.344 ( -11.088 -0.000 1.719) 11.221 7.466 ( 2.165 0.000 1.670) 2.735 7.480 ( 4.085 0.000 -3.602) 5.447 7.880 ( 3.174 0.000 -2.384) 3.969 7.952 ( 6.124 0.000 -5.528) 8.250 8.213 ( 4.412 0.000 0.359) 4.426 8.268 ( 2.398 0.000 1.551) 2.856 8.334 ( 5.464 0.000 7.334) 9.146 8.452 ( 5.505 0.000 4.183) 6.914 8.597 ( -2.693 -0.000 2.159) 3.452 8.624 ( 0.071 0.000 -1.590) 1.592 8.683 ( -6.462 -0.000 0.354) 6.472 8.779 ( -0.260 -0.000 -2.624) 2.637 9.121 ( 3.090 0.000 -2.698) 4.102 9.395 ( 7.836 0.000 -4.129) 8.857 9.455 ( -4.096 -0.000 8.993) 9.882 9.703 ( -9.572 -0.000 -1.989) 9.776 9.966 ( 3.585 0.000 2.842) 4.574 10.324 ( 4.537 0.000 -23.677) 24.108 10.496 ( 1.265 0.000 -11.799) 11.866 10.886 ( -3.293 -0.000 13.353) 13.753 11.088 ( -4.110 -0.000 6.874) 8.009 11.136 ( 1.603 0.000 -11.977) 12.083 11.807 ( 0.333 0.000 14.338) 14.342 12.415 ( 1.451 0.000 -0.670) 1.598 13.284 ( 0.819 0.000 0.026) 0.819 13.345 ( 0.987 0.000 -0.122) 0.994 14.224 ( 2.094 0.000 -1.590) 2.629 14.345 ( 1.849 0.000 -2.289) 2.942 14.439 ( 4.287 0.000 2.170) 4.805 14.731 ( -0.501 -0.000 -6.628) 6.647 20.911 ( -2.977 -0.000 0.479) 3.016 21.134 ( 0.631 0.000 -6.838) 6.867 21.211 ( 2.720 0.000 7.225) 7.720 21.579 ( -0.189 -0.000 0.050) 0.195 21.579 ( -0.126 -0.000 -0.241) 0.272 21.858 ( 9.937 0.000 -40.866) 42.057 23.232 ( -3.530 -0.000 1.619) 3.883 23.470 ( 1.445 0.000 1.286) 1.934 23.776 ( -0.084 -0.000 0.627) 0.632 23.936 ( -0.156 -0.000 -4.192) 4.195 24.110 ( -5.536 -0.000 11.972) 13.190 24.165 ( 5.384 0.000 5.455) 7.665 24.224 ( -0.911 -0.000 12.273) 12.307 24.346 ( 0.519 0.000 -0.546) 0.753 24.367 ( 2.387 0.000 -0.434) 2.426 24.377 ( 2.008 0.000 0.560) 2.084 24.537 ( -7.159 -0.000 16.993) 18.440 25.473 ( -15.995 -0.000 -2.703) 16.222 ======================= Grid point 20 (14/93) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 20.720 -1.568 9.885) 23.011 1.583 ( 22.714 -9.447 -0.452) 24.605 2.131 ( -5.745 4.214 -22.456) 23.559 2.278 ( -3.010 1.972 -6.202) 7.171 2.345 ( -8.442 -0.162 -10.042) 13.120 2.507 ( -4.718 0.363 4.622) 6.615 2.596 ( 23.319 -4.806 24.518) 34.176 2.757 ( -2.306 -3.277 6.744) 7.844 2.855 ( -2.460 -0.855 8.334) 8.731 2.903 ( -8.837 6.223 -0.404) 10.815 3.042 ( -1.456 -1.209 6.741) 7.001 3.174 ( -6.075 -0.669 2.961) 6.791 3.248 ( -0.723 3.546 2.490) 4.393 3.258 ( -1.823 0.097 0.233) 1.841 3.320 ( -0.132 0.460 -4.254) 4.281 3.398 ( -9.270 5.347 -3.071) 11.134 3.504 ( -2.497 3.541 5.046) 6.651 3.565 ( -2.636 1.168 -4.441) 5.295 3.673 ( -4.448 -3.787 -1.966) 6.164 3.933 ( -5.136 -3.146 -7.746) 9.812 4.057 ( -1.461 -6.831 -9.258) 11.598 4.167 ( 8.835 -4.396 -6.116) 11.610 4.328 ( 6.309 3.959 -7.267) 10.406 4.404 ( 5.878 2.546 1.708) 6.629 4.484 ( 2.915 3.555 -3.409) 5.723 4.568 ( 2.789 -0.609 -0.996) 3.023 4.634 ( -1.600 -1.778 -3.284) 4.063 4.652 ( 0.262 -2.440 -3.689) 4.430 4.711 ( -0.760 0.096 5.915) 5.965 4.803 ( 0.023 2.906 4.045) 4.980 4.891 ( 6.379 1.276 -1.492) 6.674 5.073 ( -1.564 0.469 8.310) 8.469 5.151 ( -9.355 -0.730 7.361) 11.926 5.300 ( -7.773 2.010 4.084) 9.008 5.580 ( -2.637 1.057 -3.810) 4.753 5.624 ( -3.373 -0.722 -0.407) 3.474 5.659 ( -1.831 -1.876 -1.958) 3.272 5.763 ( 1.551 0.568 7.170) 7.358 5.935 ( 3.511 5.184 -4.300) 7.596 6.037 ( 1.705 -0.359 0.145) 1.748 7.137 ( -9.868 6.073 -1.220) 11.651 7.259 ( -8.444 0.207 1.159) 8.526 7.457 ( 2.508 1.437 -1.893) 3.455 7.601 ( 5.602 -6.344 0.505) 8.478 7.882 ( 5.754 1.243 -1.380) 6.047 8.053 ( 3.341 -4.718 -3.009) 6.518 8.198 ( 3.451 2.745 -1.076) 4.539 8.374 ( 0.705 -5.550 1.807) 5.879 8.407 ( 4.269 -0.563 3.605) 5.615 8.507 ( -6.257 1.053 -0.814) 6.397 8.556 ( -6.617 3.376 3.091) 8.046 8.585 ( 3.393 -2.104 4.710) 6.174 8.675 ( 1.732 -2.019 -1.705) 3.160 8.785 ( 1.410 -0.907 -1.119) 2.016 9.147 ( 3.656 -0.147 -4.231) 5.594 9.403 ( -4.098 3.274 5.675) 7.728 9.461 ( 5.431 -0.169 -0.330) 5.444 9.589 ( -9.407 1.325 -0.139) 9.501 10.000 ( 5.864 1.384 0.911) 6.094 10.309 ( -0.745 -2.394 -10.192) 10.495 10.482 ( 0.655 -1.951 -12.961) 13.123 10.890 ( -1.794 1.175 9.982) 10.209 11.069 ( -6.750 1.056 11.181) 13.104 11.120 ( 6.024 -0.908 -14.395) 15.631 11.829 ( 0.737 3.172 8.701) 9.290 12.459 ( 0.677 -3.712 -0.479) 3.803 13.296 ( 0.843 -0.345 -0.059) 0.912 13.359 ( 1.004 -0.444 -0.098) 1.102 14.239 ( 2.009 0.045 -1.416) 2.458 14.366 ( 0.763 -1.332 -1.437) 2.103 14.489 ( 4.149 -0.208 2.127) 4.667 14.698 ( -1.852 0.436 -3.804) 4.253 20.866 ( -1.258 2.589 2.107) 3.567 21.076 ( 0.549 2.601 -7.331) 7.798 21.305 ( 3.693 -3.023 9.041) 10.223 21.571 ( -0.307 0.358 -0.169) 0.501 21.579 ( -0.062 -0.009 -0.170) 0.181 21.847 ( 2.651 -5.321 -30.653) 31.224 23.203 ( -3.185 0.067 1.798) 3.658 23.480 ( 1.328 1.079 1.343) 2.175 23.762 ( 0.018 1.721 -1.054) 2.018 23.950 ( 0.423 -2.880 -2.027) 3.547 24.103 ( -3.384 0.130 9.691) 10.266 24.243 ( -0.716 1.788 9.600) 9.792 24.251 ( 6.544 0.402 5.485) 8.548 24.360 ( 1.424 0.104 -0.809) 1.642 24.377 ( 2.289 -1.254 0.512) 2.660 24.420 ( 1.320 -1.887 -0.963) 2.496 24.513 ( -4.044 1.591 9.108) 10.092 25.246 ( -16.549 5.085 -4.372) 17.856 ======================= Grid point 21 (15/93) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 14.464 -7.131 7.726) 17.881 1.900 ( 8.338 -5.662 -3.009) 10.518 1.992 ( 0.964 -0.791 -10.269) 10.344 2.133 ( -4.977 2.580 -2.853) 6.290 2.307 ( -2.342 -4.171 -9.838) 10.940 2.461 ( -4.854 0.118 0.390) 4.871 2.681 ( 2.028 8.910 6.276) 11.085 2.770 ( -1.977 -0.452 2.662) 3.347 2.876 ( 3.109 0.418 11.626) 12.042 2.982 ( -1.368 -2.810 2.558) 4.038 3.025 ( -0.962 5.719 5.465) 7.968 3.151 ( -5.292 -1.905 -0.362) 5.636 3.171 ( -0.185 3.123 5.457) 6.290 3.227 ( -2.267 1.428 -1.402) 3.024 3.254 ( -5.833 -1.650 -2.599) 6.595 3.308 ( 0.072 -0.967 -2.784) 2.948 3.447 ( -0.539 4.104 3.659) 5.525 3.564 ( 1.840 -0.751 -0.996) 2.223 3.670 ( 0.783 -2.858 0.871) 3.089 3.927 ( -5.279 -3.594 -6.578) 9.168 4.132 ( -0.173 -6.835 -6.529) 9.454 4.212 ( -0.628 6.173 -9.760) 11.565 4.278 ( 5.403 -1.168 -7.529) 9.341 4.418 ( 1.712 3.220 3.796) 5.264 4.495 ( 8.042 0.364 2.913) 8.561 4.590 ( -4.476 1.337 3.637) 5.920 4.604 ( 1.730 1.900 -1.131) 2.808 4.655 ( -0.325 -0.907 -1.548) 1.823 4.730 ( 0.724 -1.844 3.644) 4.147 4.853 ( 1.930 -3.239 4.393) 5.789 4.905 ( 3.608 2.230 -2.108) 4.736 5.035 ( -7.047 2.514 -1.151) 7.571 5.120 ( 1.700 -0.890 6.005) 6.304 5.253 ( -3.040 -1.062 2.626) 4.155 5.510 ( -0.856 3.235 -5.299) 6.267 5.595 ( -2.318 0.947 0.364) 2.530 5.665 ( -3.478 -2.140 -1.321) 4.292 5.790 ( 0.237 0.816 6.606) 6.661 5.863 ( 2.308 2.920 -5.345) 6.513 6.077 ( 2.176 -1.352 1.024) 2.759 6.939 ( -7.310 5.224 -1.226) 9.068 7.184 ( -4.490 0.926 1.001) 4.693 7.455 ( 1.458 0.311 -2.187) 2.646 7.771 ( 5.713 -5.059 2.126) 7.921 7.949 ( 6.969 -1.379 0.291) 7.110 8.132 ( 0.717 -3.131 -2.300) 3.950 8.195 ( 2.704 0.951 -0.733) 2.959 8.354 ( -8.143 4.386 -2.111) 9.487 8.442 ( -2.469 -0.018 0.705) 2.567 8.465 ( -0.259 -2.222 -0.090) 2.238 8.500 ( 2.382 -0.916 3.713) 4.506 8.672 ( 0.547 -1.939 2.963) 3.582 8.725 ( 0.273 -2.382 -0.074) 2.399 8.816 ( 1.109 -0.938 -0.141) 1.459 9.162 ( 3.737 0.458 -5.078) 6.321 9.327 ( -4.937 1.866 2.275) 5.747 9.479 ( -1.893 1.164 -1.340) 2.595 9.502 ( -1.096 1.358 5.411) 5.685 10.042 ( 3.645 -0.117 -1.975) 4.147 10.301 ( -0.736 0.060 1.578) 1.742 10.464 ( -1.407 -2.162 -12.822) 13.079 10.907 ( 2.629 0.177 2.513) 3.642 11.019 ( -4.894 1.725 8.023) 9.554 11.158 ( 3.388 -1.735 -4.987) 6.274 11.790 ( 0.121 4.223 3.281) 5.350 12.532 ( 0.087 -3.951 -0.088) 3.953 13.310 ( 0.604 -0.384 -0.085) 0.721 13.377 ( 0.740 -0.489 -0.043) 0.888 14.248 ( 1.314 0.431 -0.683) 1.542 14.382 ( -0.457 -0.801 -1.399) 1.676 14.548 ( 2.895 -1.334 2.594) 4.110 14.651 ( -1.557 1.383 -2.227) 3.049 20.835 ( 1.271 1.909 3.993) 4.605 21.017 ( -0.893 0.956 -6.365) 6.498 21.427 ( 3.945 -1.185 7.313) 8.393 21.562 ( -0.117 0.098 -0.168) 0.227 21.577 ( 0.006 0.155 -0.154) 0.219 21.848 ( -1.764 -6.735 -18.319) 19.598 23.185 ( -2.185 -0.503 1.458) 2.675 23.473 ( 0.901 1.408 0.984) 1.940 23.714 ( -0.369 2.426 -3.303) 4.115 24.010 ( 0.883 -3.056 0.560) 3.230 24.109 ( -1.759 0.664 8.175) 8.388 24.220 ( -0.054 2.926 4.798) 5.620 24.312 ( 6.842 2.460 2.877) 7.820 24.376 ( 3.286 0.876 -1.954) 3.922 24.425 ( 1.194 -0.621 0.204) 1.361 24.459 ( -1.635 -1.681 1.233) 2.650 24.509 ( -1.266 -3.341 4.194) 5.509 24.972 ( -13.295 5.509 -5.274) 15.327 ======================= Grid point 22 (16/93) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( -2.691 9.895 -2.649) 10.591 1.984 ( 1.161 -6.875 1.639) 7.163 2.014 ( 7.279 -12.375 2.554) 14.583 2.251 ( 4.195 -8.102 1.269) 9.211 2.326 ( -0.374 -1.891 -4.639) 5.024 2.419 ( -4.810 -1.925 -0.995) 5.276 2.546 ( -1.961 10.713 0.860) 10.925 2.765 ( 4.498 6.270 -2.675) 8.167 2.862 ( 1.728 -0.605 4.136) 4.523 2.968 ( 3.001 2.810 4.849) 6.357 3.013 ( -4.541 -3.220 0.843) 5.630 3.088 ( -5.063 -0.782 0.288) 5.131 3.153 ( -1.340 1.195 0.533) 1.872 3.196 ( -0.335 2.767 2.637) 3.836 3.239 ( -1.547 -1.971 -5.111) 5.692 3.373 ( 2.878 -3.460 -1.068) 4.626 3.390 ( -2.224 1.030 3.586) 4.344 3.480 ( -5.154 2.222 -4.691) 7.314 3.745 ( 0.033 10.872 1.994) 11.054 3.930 ( 3.793 -5.768 1.024) 6.979 4.078 ( -3.160 -1.261 -8.458) 9.117 4.228 ( 3.865 -2.785 -3.713) 6.040 4.335 ( 3.014 -3.024 -5.437) 6.913 4.370 ( -2.658 2.402 4.755) 5.953 4.502 ( -3.047 2.756 1.706) 4.449 4.557 ( 3.815 3.822 3.415) 6.389 4.632 ( 0.418 -1.035 -1.506) 1.874 4.673 ( 2.841 0.019 6.076) 6.707 4.763 ( 0.804 1.051 -1.032) 1.678 4.849 ( -3.864 -0.154 1.440) 4.127 4.906 ( 0.351 -1.050 -4.098) 4.245 5.039 ( 1.373 -5.407 -0.365) 5.590 5.174 ( 2.695 1.191 6.070) 6.747 5.266 ( -1.162 -1.139 1.223) 2.036 5.411 ( -0.380 4.330 -5.254) 6.819 5.569 ( -0.875 -0.053 3.590) 3.695 5.652 ( -2.843 -1.426 -2.706) 4.176 5.804 ( -0.357 -0.097 5.159) 5.172 5.842 ( 0.297 -0.311 -5.853) 5.869 6.106 ( 1.410 0.994 0.685) 1.856 6.835 ( -3.255 -0.490 -0.954) 3.427 7.163 ( -0.820 -1.503 0.513) 1.787 7.454 ( 0.427 0.292 -1.059) 1.179 7.878 ( 4.212 -0.111 2.364) 4.831 8.023 ( 4.414 3.222 1.508) 5.669 8.157 ( -0.351 -1.764 -2.487) 3.069 8.209 ( 0.193 -0.606 -1.467) 1.599 8.233 ( -4.386 -1.416 -0.453) 4.631 8.421 ( 2.095 0.940 1.882) 2.969 8.499 ( -2.698 -2.935 -1.676) 4.324 8.565 ( 1.203 -2.288 1.861) 3.185 8.667 ( -1.326 2.151 0.006) 2.527 8.758 ( -0.293 -1.208 0.122) 1.249 8.815 ( 0.000 2.322 0.587) 2.395 9.156 ( 0.876 1.866 -3.116) 3.736 9.287 ( -2.618 -2.440 0.291) 3.591 9.451 ( -0.671 0.220 1.512) 1.668 9.511 ( 1.059 -0.308 1.953) 2.243 10.039 ( 0.347 1.959 -2.093) 2.887 10.321 ( 1.007 -0.255 8.053) 8.120 10.436 ( -2.355 -2.577 -11.731) 12.239 10.931 ( 2.803 0.982 -2.876) 4.134 11.006 ( -2.006 -1.623 6.976) 7.438 11.195 ( 1.287 -0.772 0.326) 1.535 11.719 ( -0.372 4.358 -0.471) 4.399 12.585 ( -0.128 -1.982 -0.003) 1.986 13.317 ( 0.217 0.034 -0.036) 0.223 13.386 ( 0.275 0.102 -0.015) 0.294 14.249 ( 0.794 0.473 0.308) 0.974 14.369 ( -1.099 0.686 -1.782) 2.203 14.576 ( -0.056 2.559 1.865) 3.167 14.642 ( 0.869 -3.283 -0.658) 3.460 20.859 ( 3.236 0.234 5.032) 5.987 20.970 ( -2.582 -0.059 -5.186) 5.793 21.426 ( 0.762 4.880 -0.342) 4.951 21.570 ( 0.384 -0.272 0.408) 0.623 21.574 ( 0.035 0.110 -0.039) 0.122 21.955 ( -0.771 -12.028 -2.921) 12.401 23.191 ( -0.834 -1.494 0.703) 1.850 23.460 ( 0.373 1.172 0.522) 1.336 23.651 ( -0.506 2.599 -3.825) 4.651 24.062 ( 0.691 -1.309 1.665) 2.227 24.100 ( -0.626 2.056 5.780) 6.167 24.188 ( 1.059 2.323 -1.214) 2.827 24.329 ( 5.444 4.525 3.514) 7.903 24.358 ( 1.960 2.990 -1.567) 3.903 24.425 ( -0.507 0.472 -0.157) 0.710 24.477 ( -1.776 -1.555 -1.048) 2.583 24.526 ( -5.413 1.132 -0.190) 5.533 24.869 ( -2.225 -7.079 -1.138) 7.507 ======================= Grid point 23 (17/93) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -0.000 15.925 -0.000) 15.925 2.056 ( -0.000 6.589 -0.000) 6.589 2.243 ( -0.000 5.488 -0.000) 5.488 2.339 ( -0.000 0.477 -0.000) 0.477 2.363 ( 0.000 -16.294 0.000) 16.294 2.371 ( 0.000 -0.034 0.000) 0.034 2.512 ( 0.000 -11.004 0.000) 11.004 2.773 ( 0.000 -4.095 0.000) 4.095 2.822 ( -0.000 9.724 -0.000) 9.724 2.910 ( -0.000 5.434 -0.000) 5.434 3.022 ( 0.000 -3.049 0.000) 3.049 3.088 ( -0.000 2.119 -0.000) 2.119 3.106 ( -0.000 6.361 -0.000) 6.361 3.228 ( 0.000 -10.025 0.000) 10.025 3.253 ( 0.000 -1.555 0.000) 1.555 3.369 ( -0.000 1.936 -0.000) 1.936 3.408 ( 0.000 -3.338 0.000) 3.338 3.423 ( -0.000 3.357 -0.000) 3.357 3.641 ( 0.000 -4.167 0.000) 4.167 3.953 ( -0.000 1.099 -0.000) 1.099 4.150 ( 0.000 -4.048 0.000) 4.048 4.250 ( -0.000 6.933 -0.000) 6.933 4.306 ( 0.000 -5.054 0.000) 5.054 4.436 ( 0.000 -4.069 0.000) 4.069 4.450 ( -0.000 2.024 -0.000) 2.024 4.500 ( -0.000 6.256 -0.000) 6.256 4.598 ( -0.000 3.361 -0.000) 3.361 4.673 ( -0.000 1.764 -0.000) 1.764 4.723 ( -0.000 2.030 -0.000) 2.030 4.905 ( 0.000 -4.205 0.000) 4.205 4.954 ( 0.000 -4.855 0.000) 4.855 5.129 ( 0.000 -3.290 0.000) 3.290 5.153 ( -0.000 3.604 -0.000) 3.604 5.252 ( -0.000 2.812 -0.000) 2.812 5.357 ( 0.000 -1.008 0.000) 1.008 5.629 ( 0.000 -4.247 0.000) 4.247 5.646 ( 0.000 -1.712 0.000) 1.712 5.809 ( -0.000 0.948 -0.000) 0.948 5.831 ( 0.000 -0.324 0.000) 0.324 6.075 ( -0.000 3.134 -0.000) 3.134 6.889 ( 0.000 -7.349 0.000) 7.349 7.221 ( 0.000 -5.093 0.000) 5.093 7.444 ( -0.000 0.784 -0.000) 0.784 7.861 ( -0.000 5.448 -0.000) 5.448 7.939 ( -0.000 5.995 -0.000) 5.995 8.132 ( -0.000 2.799 -0.000) 2.799 8.236 ( 0.000 -1.016 0.000) 1.016 8.317 ( 0.000 -8.269 0.000) 8.269 8.477 ( 0.000 -3.994 0.000) 3.994 8.497 ( 0.000 -0.062 0.000) 0.062 8.602 ( -0.000 3.427 -0.000) 3.427 8.610 ( 0.000 -1.428 0.000) 1.428 8.732 ( -0.000 6.793 -0.000) 6.793 8.758 ( -0.000 1.028 -0.000) 1.028 9.107 ( -0.000 2.835 -0.000) 2.835 9.343 ( 0.000 -3.666 0.000) 3.666 9.447 ( -0.000 0.764 -0.000) 0.764 9.558 ( 0.000 -4.401 0.000) 4.401 9.973 ( -0.000 5.023 -0.000) 5.023 10.390 ( 0.000 -3.637 0.000) 3.637 10.428 ( 0.000 -2.444 0.000) 2.444 10.934 ( 0.000 -1.227 0.000) 1.227 11.055 ( 0.000 -2.721 0.000) 2.721 11.206 ( -0.000 0.731 -0.000) 0.731 11.637 ( -0.000 4.483 -0.000) 4.483 12.595 ( -0.000 0.734 -0.000) 0.734 13.312 ( -0.000 0.631 -0.000) 0.631 13.379 ( -0.000 0.836 -0.000) 0.836 14.250 ( -0.000 0.225 -0.000) 0.225 14.330 ( -0.000 2.220 -0.000) 2.220 14.519 ( -0.000 3.922 -0.000) 3.922 14.727 ( 0.000 -5.345 0.000) 5.345 20.898 ( -0.000 0.531 -0.000) 0.531 20.949 ( 0.000 -2.016 0.000) 2.016 21.321 ( -0.000 6.566 -0.000) 6.566 21.572 ( -0.000 0.023 -0.000) 0.023 21.578 ( 0.000 -0.328 0.000) 0.328 22.182 ( 0.000 -13.966 0.000) 13.966 23.223 ( 0.000 -2.274 0.000) 2.274 23.445 ( -0.000 0.846 -0.000) 0.846 23.593 ( -0.000 2.545 -0.000) 2.545 24.069 ( -0.000 2.858 -0.000) 2.858 24.078 ( -0.000 0.366 -0.000) 0.366 24.148 ( -0.000 2.278 -0.000) 2.278 24.273 ( -0.000 6.706 -0.000) 6.706 24.306 ( -0.000 2.525 -0.000) 2.525 24.401 ( -0.000 3.065 -0.000) 3.065 24.418 ( -0.000 0.645 -0.000) 0.645 24.525 ( 0.000 -1.375 0.000) 1.375 25.067 ( 0.000 -14.368 0.000) 14.368 ======================= Grid point 28 (18/93) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 17.819 0.000 9.343) 20.120 1.705 ( 21.789 0.000 -2.765) 21.964 2.008 ( -9.017 -0.000 -20.549) 22.440 2.198 ( -2.233 -0.000 -9.337) 9.601 2.251 ( -9.292 -0.000 -4.264) 10.224 2.518 ( -0.581 -0.000 4.080) 4.121 2.752 ( 0.976 0.000 11.541) 11.582 2.794 ( 3.944 0.000 7.801) 8.741 2.872 ( -9.262 -0.000 7.265) 11.772 2.965 ( 15.044 0.000 10.100) 18.120 2.970 ( -8.161 -0.000 8.537) 11.810 3.112 ( -4.317 -0.000 2.155) 4.825 3.175 ( -6.965 -0.000 -5.561) 8.912 3.298 ( -2.337 -0.000 2.097) 3.140 3.350 ( 4.809 0.000 0.042) 4.809 3.354 ( -6.892 -0.000 -3.819) 7.880 3.511 ( -1.015 -0.000 2.373) 2.581 3.554 ( -2.131 -0.000 -6.100) 6.462 3.614 ( 1.199 0.000 4.984) 5.127 3.842 ( -5.971 -0.000 -6.586) 8.889 3.917 ( -1.286 -0.000 -9.405) 9.493 4.203 ( 9.731 0.000 -6.394) 11.643 4.420 ( 4.041 0.000 -1.724) 4.394 4.478 ( -10.543 -0.000 -8.101) 13.296 4.498 ( 8.093 0.000 -1.678) 8.265 4.538 ( 1.899 0.000 -0.861) 2.086 4.587 ( 4.345 0.000 -4.328) 6.133 4.668 ( 4.919 0.000 0.804) 4.984 4.731 ( -2.280 -0.000 7.578) 7.913 4.833 ( -1.976 -0.000 0.863) 2.156 4.965 ( 4.768 0.000 -2.698) 5.478 5.071 ( -4.080 -0.000 3.309) 5.253 5.074 ( -6.651 -0.000 9.615) 11.691 5.249 ( -7.307 -0.000 2.660) 7.777 5.528 ( -3.457 -0.000 -3.622) 5.007 5.592 ( -1.635 -0.000 0.726) 1.789 5.646 ( 0.235 0.000 -1.777) 1.792 5.823 ( 2.559 0.000 8.556) 8.930 5.989 ( 2.037 0.000 -3.502) 4.052 6.060 ( 2.005 0.000 -2.875) 3.505 7.118 ( -7.487 -0.000 -1.362) 7.610 7.153 ( -8.336 -0.000 1.093) 8.408 7.540 ( 3.800 0.000 -2.057) 4.321 7.546 ( 3.528 0.000 1.517) 3.840 7.929 ( 2.240 0.000 -0.542) 2.304 8.053 ( 6.646 0.000 -2.553) 7.119 8.284 ( 2.839 0.000 0.054) 2.839 8.294 ( -1.758 -0.000 0.911) 1.981 8.425 ( -1.647 -0.000 0.073) 1.648 8.459 ( -5.409 -0.000 -1.269) 5.556 8.565 ( -0.852 -0.000 6.747) 6.801 8.624 ( 3.745 0.000 3.844) 5.367 8.660 ( 1.409 0.000 -2.953) 3.272 8.780 ( 0.427 0.000 -0.770) 0.881 9.181 ( 4.975 0.000 -2.109) 5.403 9.408 ( -3.946 -0.000 3.161) 5.056 9.495 ( -9.595 -0.000 -0.836) 9.631 9.516 ( 4.534 0.000 0.393) 4.551 10.086 ( 4.394 0.000 3.790) 5.802 10.214 ( -0.919 -0.000 -11.002) 11.041 10.457 ( 2.294 0.000 -8.079) 8.398 10.914 ( -2.231 -0.000 8.206) 8.503 11.057 ( -5.175 -0.000 8.706) 10.127 11.112 ( 5.165 0.000 -12.092) 13.149 11.901 ( 0.760 0.000 6.358) 6.404 12.424 ( 0.272 0.000 -0.911) 0.951 13.301 ( 0.749 0.000 -0.071) 0.753 13.364 ( 0.874 0.000 -0.100) 0.879 14.253 ( 1.679 0.000 -1.133) 2.026 14.357 ( 0.674 0.000 -1.004) 1.210 14.534 ( 3.287 0.000 1.514) 3.619 14.672 ( -1.608 -0.000 -2.299) 2.806 20.886 ( -0.748 -0.000 2.836) 2.933 21.076 ( -0.419 -0.000 -7.738) 7.750 21.341 ( 2.861 0.000 10.967) 11.334 21.574 ( -0.162 -0.000 -0.165) 0.231 21.575 ( -0.124 -0.000 -0.150) 0.195 21.721 ( 2.542 0.000 -25.427) 25.554 23.180 ( -2.459 -0.000 1.132) 2.707 23.510 ( 1.194 0.000 1.530) 1.940 23.790 ( 0.755 0.000 0.334) 0.825 23.909 ( 0.116 0.000 -2.468) 2.471 24.098 ( -2.416 -0.000 5.266) 5.794 24.286 ( -0.582 -0.000 7.158) 7.182 24.338 ( 3.232 0.000 1.722) 3.662 24.379 ( 6.464 0.000 3.021) 7.135 24.392 ( 1.091 0.000 1.877) 2.171 24.415 ( 1.556 0.000 -0.242) 1.575 24.527 ( -3.082 -0.000 6.687) 7.363 25.096 ( -17.590 -0.000 -5.805) 18.523 ======================= Grid point 29 (19/93) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 9.199 -0.258 3.037) 9.691 1.888 ( 0.007 -0.083 -8.076) 8.076 1.935 ( 9.688 -4.437 -0.120) 10.656 2.099 ( -6.796 2.818 -5.798) 9.367 2.202 ( -0.932 -3.376 -3.074) 4.660 2.494 ( 0.522 5.063 1.842) 5.413 2.727 ( -6.121 -1.139 0.860) 6.285 2.813 ( 1.575 -0.137 4.910) 5.158 2.918 ( -0.074 -2.560 7.588) 8.008 2.968 ( -1.631 -3.491 4.252) 5.738 3.032 ( -4.766 3.818 4.174) 7.397 3.110 ( -5.749 -3.528 -7.326) 9.959 3.120 ( 2.742 1.993 3.650) 4.981 3.228 ( -2.984 3.370 -0.396) 4.518 3.294 ( -0.336 3.714 -1.343) 3.963 3.354 ( 3.879 4.657 2.772) 6.665 3.480 ( -3.050 1.910 -3.586) 5.080 3.598 ( 7.832 -3.069 6.328) 10.526 3.660 ( 1.479 0.699 3.164) 3.561 3.787 ( -2.783 -5.444 -4.420) 7.544 3.965 ( -0.896 -7.820 -5.406) 9.549 4.255 ( 0.534 3.404 -8.899) 9.543 4.288 ( -1.519 1.109 -4.656) 5.022 4.449 ( -4.796 -1.232 3.506) 6.067 4.548 ( 6.789 0.549 -3.408) 7.616 4.614 ( 5.382 -0.707 -4.443) 7.015 4.628 ( 3.739 -2.670 -0.293) 4.603 4.655 ( -4.387 4.502 5.911) 8.628 4.743 ( 1.955 0.013 5.117) 5.477 4.841 ( 2.137 -1.591 0.901) 2.813 4.945 ( -5.871 -0.187 -3.981) 7.096 5.014 ( -1.825 3.936 2.180) 4.855 5.105 ( -0.044 -3.452 3.892) 5.203 5.208 ( -3.076 -1.033 1.218) 3.466 5.487 ( -2.270 0.531 -2.664) 3.540 5.583 ( -0.791 0.065 0.077) 0.798 5.648 ( 0.540 -0.350 -0.786) 1.016 5.844 ( 0.959 2.469 4.111) 4.891 5.973 ( 2.561 6.450 -2.136) 7.261 6.053 ( 0.216 -2.695 -0.619) 2.773 6.975 ( -4.571 5.972 -0.566) 7.542 7.134 ( -3.854 -2.066 0.421) 4.393 7.489 ( 1.397 3.003 -0.864) 3.422 7.707 ( 3.398 -8.150 0.901) 8.876 7.962 ( 2.024 -2.080 0.018) 2.902 8.119 ( 4.988 -0.917 -1.440) 5.272 8.237 ( -1.247 1.578 0.256) 2.027 8.334 ( -3.646 1.390 -0.641) 3.954 8.372 ( -2.516 -0.983 -0.775) 2.810 8.431 ( -1.071 -1.326 -0.303) 1.732 8.575 ( 1.782 2.236 4.168) 5.054 8.663 ( 1.164 -1.050 1.098) 1.914 8.692 ( 0.866 -1.757 -0.433) 2.006 8.795 ( 0.155 -1.703 -0.395) 1.755 9.214 ( 5.512 1.394 -2.241) 6.111 9.333 ( -5.433 3.686 1.256) 6.685 9.434 ( -4.386 -1.455 0.580) 4.657 9.546 ( 1.777 0.832 1.049) 2.225 10.084 ( 1.777 2.522 -1.308) 3.351 10.243 ( -0.667 -4.863 -0.704) 4.959 10.435 ( 1.228 1.661 -5.514) 5.889 10.928 ( 0.196 -0.743 3.198) 3.289 11.029 ( -2.893 1.521 3.899) 5.088 11.134 ( 2.328 -1.758 -4.460) 5.329 11.883 ( 0.294 4.270 2.602) 5.008 12.461 ( 0.017 -3.834 -0.338) 3.848 13.309 ( 0.418 -0.267 -0.054) 0.499 13.375 ( 0.492 -0.399 -0.047) 0.635 14.261 ( 0.863 0.206 -0.596) 1.069 14.365 ( 0.029 -0.579 -0.472) 0.747 14.567 ( 1.937 -0.333 0.997) 2.204 14.648 ( -1.107 0.572 -1.061) 1.637 20.889 ( 0.562 0.683 4.215) 4.307 21.009 ( -0.849 2.826 -6.631) 7.258 21.467 ( 3.257 -4.471 13.724) 14.797 21.564 ( 0.014 0.421 -0.834) 0.934 21.577 ( -0.040 -0.083 -0.063) 0.112 21.664 ( -1.221 -2.399 -19.552) 19.736 23.165 ( -1.316 -0.149 0.650) 1.476 23.511 ( 0.642 1.390 0.890) 1.771 23.758 ( 0.211 3.312 -0.760) 3.405 23.950 ( 0.348 -4.142 -0.452) 4.181 24.107 ( -0.974 -1.030 2.674) 3.027 24.280 ( -0.679 2.281 4.014) 4.667 24.373 ( 0.779 -1.744 -0.465) 1.966 24.398 ( 2.318 -0.921 -1.294) 2.810 24.429 ( 0.062 -0.479 -0.113) 0.496 24.489 ( 3.995 2.553 4.828) 6.767 24.510 ( 3.767 0.897 5.741) 6.925 24.878 ( -14.622 2.579 -6.454) 16.190 ======================= Grid point 30 (20/93) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 0.000 -3.850 0.000) 3.850 1.925 ( 0.000 -3.251 0.000) 3.251 1.996 ( -0.000 5.115 -0.000) 5.115 2.056 ( 0.000 -8.776 0.000) 8.776 2.266 ( 0.000 -4.243 0.000) 4.243 2.416 ( -0.000 2.324 -0.000) 2.324 2.766 ( -0.000 13.018 -0.000) 13.018 2.805 ( 0.000 -6.971 0.000) 6.971 2.886 ( 0.000 -4.790 0.000) 4.790 2.953 ( -0.000 8.046 -0.000) 8.046 3.019 ( 0.000 -0.646 0.000) 0.646 3.078 ( -0.000 3.029 -0.000) 3.029 3.143 ( 0.000 -2.732 0.000) 2.732 3.199 ( -0.000 4.073 -0.000) 4.073 3.232 ( 0.000 -5.176 0.000) 5.176 3.313 ( -0.000 1.949 -0.000) 1.949 3.411 ( -0.000 2.293 -0.000) 2.293 3.549 ( -0.000 6.620 -0.000) 6.620 3.839 ( 0.000 -9.965 0.000) 9.965 3.847 ( 0.000 -1.012 0.000) 1.012 4.092 ( -0.000 8.081 -0.000) 8.081 4.107 ( 0.000 -9.419 0.000) 9.419 4.311 ( 0.000 -1.087 0.000) 1.087 4.427 ( -0.000 2.145 -0.000) 2.145 4.547 ( -0.000 4.368 -0.000) 4.368 4.585 ( 0.000 -2.190 0.000) 2.190 4.643 ( -0.000 1.586 -0.000) 1.586 4.712 ( 0.000 -4.066 0.000) 4.066 4.765 ( -0.000 1.525 -0.000) 1.525 4.810 ( -0.000 2.808 -0.000) 2.808 4.940 ( -0.000 3.909 -0.000) 3.909 4.956 ( 0.000 -5.021 0.000) 5.021 5.189 ( 0.000 -3.621 0.000) 3.621 5.227 ( 0.000 -2.148 0.000) 2.148 5.443 ( -0.000 1.992 -0.000) 1.992 5.571 ( -0.000 0.910 -0.000) 0.910 5.646 ( -0.000 0.913 -0.000) 0.913 5.826 ( -0.000 0.636 -0.000) 0.636 5.859 ( -0.000 5.089 -0.000) 5.089 6.108 ( 0.000 -1.955 0.000) 1.955 6.853 ( -0.000 4.568 -0.000) 4.568 7.140 ( 0.000 -0.797 0.000) 0.797 7.462 ( -0.000 0.805 -0.000) 0.805 7.855 ( 0.000 -5.665 0.000) 5.665 8.039 ( 0.000 -4.983 0.000) 4.983 8.149 ( -0.000 1.714 -0.000) 1.714 8.201 ( -0.000 0.989 -0.000) 0.989 8.235 ( -0.000 3.757 -0.000) 3.757 8.413 ( 0.000 -3.542 0.000) 3.542 8.448 ( 0.000 -0.624 0.000) 0.624 8.562 ( -0.000 0.693 -0.000) 0.693 8.684 ( -0.000 0.231 -0.000) 0.231 8.725 ( 0.000 -2.230 0.000) 2.230 8.826 ( 0.000 -1.154 0.000) 1.154 9.215 ( -0.000 4.175 -0.000) 4.175 9.242 ( 0.000 -0.278 0.000) 0.278 9.441 ( 0.000 -1.044 0.000) 1.044 9.534 ( -0.000 1.435 -0.000) 1.435 10.060 ( -0.000 1.028 -0.000) 1.028 10.320 ( 0.000 -4.115 0.000) 4.115 10.388 ( -0.000 2.445 -0.000) 2.445 10.968 ( 0.000 -2.239 0.000) 2.239 10.980 ( -0.000 2.732 -0.000) 2.732 11.174 ( 0.000 -2.151 0.000) 2.151 11.803 ( -0.000 5.229 -0.000) 5.229 12.532 ( 0.000 -3.925 0.000) 3.925 13.316 ( 0.000 -0.277 0.000) 0.277 13.385 ( 0.000 -0.382 0.000) 0.382 14.259 ( -0.000 0.354 -0.000) 0.354 14.369 ( 0.000 -0.004 0.000) 0.004 14.597 ( 0.000 -1.840 0.000) 1.840 14.620 ( -0.000 1.717 -0.000) 1.717 20.908 ( 0.000 -0.092 0.000) 0.092 20.938 ( -0.000 1.880 -0.000) 1.880 21.515 ( -0.000 3.809 -0.000) 3.809 21.576 ( -0.000 0.193 -0.000) 0.193 21.578 ( -0.000 0.650 -0.000) 0.650 21.724 ( 0.000 -12.118 0.000) 12.118 23.167 ( 0.000 -0.776 0.000) 0.776 23.488 ( -0.000 1.656 -0.000) 1.656 23.697 ( -0.000 3.426 -0.000) 3.426 24.024 ( 0.000 -3.654 0.000) 3.654 24.121 ( 0.000 -0.169 0.000) 0.169 24.239 ( -0.000 2.799 -0.000) 2.799 24.410 ( 0.000 -1.708 0.000) 1.708 24.426 ( 0.000 -0.089 0.000) 0.089 24.431 ( -0.000 3.700 -0.000) 3.700 24.449 ( 0.000 -1.227 0.000) 1.227 24.526 ( -0.000 4.503 -0.000) 4.503 24.761 ( 0.000 -1.923 0.000) 1.923 ======================= Grid point 39 (21/93) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 0.000 0.000 0.000) 0.000 1.940 ( 0.000 0.000 0.000) 0.000 2.027 ( -0.000 -0.000 -0.000) 0.000 2.040 ( 0.000 0.000 0.000) 0.000 2.132 ( 0.000 0.000 0.000) 0.000 2.596 ( 0.000 0.000 0.000) 0.000 2.648 ( -0.000 -0.000 0.000) 0.000 2.845 ( 0.000 0.000 0.000) 0.000 2.886 ( 0.000 0.000 0.000) 0.000 2.938 ( -0.000 -0.000 -0.000) 0.000 2.939 ( 0.000 0.000 0.000) 0.000 3.087 ( 0.000 0.000 0.000) 0.000 3.246 ( -0.000 -0.000 -0.000) 0.000 3.252 ( 0.000 0.000 0.000) 0.000 3.271 ( 0.000 0.000 0.000) 0.000 3.452 ( 0.000 0.000 0.000) 0.000 3.477 ( -0.000 -0.000 -0.000) 0.000 3.634 ( 0.000 0.000 0.000) 0.000 3.667 ( 0.000 0.000 0.000) 0.000 3.726 ( 0.000 0.000 0.000) 0.000 3.856 ( 0.000 0.000 0.000) 0.000 4.243 ( 0.000 0.000 -0.000) 0.000 4.286 ( -0.000 -0.000 0.000) 0.000 4.422 ( 0.000 0.000 -0.000) 0.000 4.589 ( 0.000 0.000 0.000) 0.000 4.609 ( -0.000 -0.000 0.000) 0.000 4.631 ( 0.000 0.000 0.000) 0.000 4.696 ( 0.000 0.000 0.000) 0.000 4.779 ( -0.000 -0.000 0.000) 0.000 4.829 ( 0.000 0.000 0.000) 0.000 4.893 ( 0.000 0.000 0.000) 0.000 5.026 ( 0.000 0.000 0.000) 0.000 5.096 ( 0.000 0.000 0.000) 0.000 5.182 ( 0.000 0.000 -0.000) 0.000 5.482 ( 0.000 0.000 0.000) 0.000 5.579 ( 0.000 0.000 0.000) 0.000 5.641 ( 0.000 0.000 0.000) 0.000 5.902 ( 0.000 0.000 0.000) 0.000 5.998 ( 0.000 0.000 0.000) 0.000 6.058 ( 0.000 0.000 -0.000) 0.000 7.031 ( 0.000 0.000 -0.000) 0.000 7.066 ( 0.000 0.000 0.000) 0.000 7.575 ( 0.000 0.000 0.000) 0.000 7.595 ( 0.000 0.000 0.000) 0.000 7.949 ( 0.000 0.000 0.000) 0.000 8.147 ( -0.000 -0.000 0.000) 0.000 8.225 ( 0.000 0.000 -0.000) 0.000 8.326 ( 0.000 0.000 0.000) 0.000 8.375 ( 0.000 0.000 0.000) 0.000 8.398 ( 0.000 0.000 0.000) 0.000 8.617 ( 0.000 0.000 0.000) 0.000 8.656 ( 0.000 0.000 -0.000) 0.000 8.687 ( 0.000 0.000 0.000) 0.000 8.775 ( 0.000 0.000 0.000) 0.000 9.265 ( -0.000 -0.000 0.000) 0.000 9.351 ( 0.000 0.000 -0.000) 0.000 9.377 ( 0.000 0.000 0.000) 0.000 9.564 ( 0.000 0.000 -0.000) 0.000 10.151 ( 0.000 0.000 0.000) 0.000 10.155 ( 0.000 0.000 0.000) 0.000 10.450 ( 0.000 0.000 0.000) 0.000 10.925 ( 0.000 0.000 0.000) 0.000 11.037 ( -0.000 -0.000 0.000) 0.000 11.120 ( 0.000 0.000 -0.000) 0.000 11.933 ( 0.000 0.000 0.000) 0.000 12.421 ( 0.000 0.000 0.000) 0.000 13.309 ( 0.000 0.000 0.000) 0.000 13.374 ( 0.000 0.000 -0.000) 0.000 14.267 ( 0.000 0.000 0.000) 0.000 14.359 ( 0.000 0.000 0.000) 0.000 14.576 ( 0.000 0.000 0.000) 0.000 14.645 ( 0.000 0.000 0.000) 0.000 20.901 ( 0.000 0.000 0.000) 0.000 21.029 ( 0.000 0.000 0.000) 0.000 21.448 ( 0.000 0.000 0.000) 0.000 21.571 ( 0.000 0.000 0.000) 0.000 21.572 ( 0.000 0.000 0.000) 0.000 21.612 ( 0.000 0.000 -0.000) 0.000 23.159 ( 0.000 0.000 0.000) 0.000 23.530 ( 0.000 0.000 0.000) 0.000 23.800 ( 0.000 0.000 0.000) 0.000 23.901 ( 0.000 0.000 0.000) 0.000 24.095 ( 0.000 0.000 0.000) 0.000 24.309 ( 0.000 0.000 -0.000) 0.000 24.361 ( 0.000 0.000 0.000) 0.000 24.381 ( 0.000 0.000 0.000) 0.000 24.430 ( 0.000 0.000 0.000) 0.000 24.521 ( 0.000 0.000 -0.000) 0.000 24.621 ( 0.000 0.000 0.000) 0.000 24.770 ( -0.000 -0.000 -0.000) 0.000 ======================= Grid point 69 (22/93) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( -4.943 -0.000 33.302) 33.667 0.656 ( 2.256 0.000 33.732) 33.807 1.103 ( 3.783 0.000 56.958) 57.084 2.204 ( 1.715 0.000 -14.149) 14.253 2.301 ( 2.039 0.000 -19.552) 19.658 2.769 ( 0.715 0.000 2.296) 2.405 2.874 ( -5.822 -0.000 -2.018) 6.162 2.905 ( -3.079 -0.000 -1.141) 3.284 2.968 ( 7.267 0.000 0.333) 7.274 3.003 ( 1.600 0.000 -0.203) 1.613 3.169 ( -4.850 -0.000 -4.071) 6.332 3.270 ( 4.681 0.000 3.415) 5.794 3.286 ( 0.360 0.000 -2.664) 2.688 3.356 ( -1.216 -0.000 1.296) 1.777 3.398 ( -6.214 -0.000 2.069) 6.550 3.576 ( 1.486 0.000 -0.682) 1.635 3.598 ( 0.181 0.000 0.878) 0.896 3.699 ( -0.285 -0.000 3.744) 3.755 3.744 ( -3.736 -0.000 2.835) 4.690 3.977 ( -6.215 -0.000 -32.880) 33.462 4.067 ( 7.207 0.000 -2.961) 7.791 4.122 ( -1.707 -0.000 -0.337) 1.740 4.258 ( -3.901 -0.000 -2.010) 4.388 4.301 ( 5.197 0.000 3.759) 6.414 4.402 ( 1.529 0.000 7.093) 7.256 4.428 ( -3.501 -0.000 -6.474) 7.360 4.454 ( -3.169 -0.000 -3.972) 5.082 4.599 ( 0.898 0.000 2.154) 2.333 4.641 ( 0.502 0.000 -3.557) 3.592 4.666 ( -1.546 -0.000 -0.246) 1.566 4.740 ( 8.727 0.000 -0.728) 8.757 5.012 ( 4.930 0.000 5.310) 7.246 5.620 ( 0.147 0.000 -1.030) 1.040 5.703 ( -7.959 -0.000 16.440) 18.265 5.713 ( 0.620 0.000 3.140) 3.200 5.724 ( 1.852 0.000 -2.705) 3.278 5.726 ( 2.058 0.000 8.126) 8.383 5.737 ( 3.737 0.000 -0.121) 3.739 6.137 ( -2.743 -0.000 2.045) 3.422 7.000 ( 3.969 0.000 -9.992) 10.752 7.318 ( 1.407 0.000 0.842) 1.640 7.402 ( -0.257 -0.000 -1.080) 1.110 7.612 ( 1.483 0.000 -2.401) 2.822 7.617 ( -0.252 -0.000 1.600) 1.620 7.704 ( -3.974 -0.000 -0.813) 4.056 7.816 ( -2.162 -0.000 -5.526) 5.934 7.966 ( -0.758 -0.000 -1.014) 1.266 8.014 ( 0.379 0.000 -2.971) 2.995 8.178 ( 0.003 0.000 8.193) 8.193 8.308 ( 1.188 0.000 3.414) 3.615 8.525 ( 2.773 0.000 0.388) 2.800 8.542 ( -1.325 -0.000 -3.623) 3.857 8.838 ( -1.068 -0.000 -5.436) 5.540 8.840 ( -1.870 -0.000 0.305) 1.895 8.861 ( 1.189 0.000 0.209) 1.207 9.114 ( 2.781 0.000 -7.089) 7.615 9.201 ( -3.040 -0.000 10.393) 10.829 9.601 ( -1.266 -0.000 12.730) 12.793 9.926 ( 0.038 0.000 -0.513) 0.514 9.969 ( 0.574 0.000 -0.067) 0.578 10.438 ( 1.159 0.000 -11.709) 11.766 10.947 ( -0.591 -0.000 -15.708) 15.719 11.022 ( 0.317 0.000 14.673) 14.676 11.370 ( -0.574 -0.000 4.852) 4.885 12.348 ( -5.239 -0.000 -0.002) 5.239 12.359 ( 0.093 0.000 -0.266) 0.281 13.273 ( -0.130 -0.000 0.739) 0.750 13.321 ( 0.151 0.000 -0.408) 0.435 14.145 ( -0.893 -0.000 -1.616) 1.846 14.250 ( 0.721 0.000 -3.653) 3.724 14.265 ( 1.715 0.000 3.545) 3.938 14.352 ( -0.670 -0.000 1.110) 1.296 20.913 ( -4.656 -0.000 0.903) 4.743 21.008 ( -0.572 -0.000 -1.396) 1.508 21.108 ( 2.999 0.000 0.937) 3.142 21.153 ( -2.595 -0.000 -0.127) 2.598 21.582 ( 0.132 0.000 0.000) 0.132 21.583 ( -0.163 -0.000 -0.010) 0.163 23.321 ( -0.257 -0.000 1.496) 1.517 23.418 ( 0.458 0.000 -0.785) 0.909 23.825 ( 0.021 0.000 1.208) 1.208 23.961 ( -2.680 -0.000 -2.493) 3.660 24.028 ( 1.745 0.000 0.596) 1.844 24.057 ( 4.021 0.000 0.379) 4.039 24.253 ( 0.292 0.000 0.346) 0.453 24.290 ( -0.585 -0.000 -0.512) 0.778 24.313 ( 0.497 0.000 0.472) 0.686 24.352 ( -0.308 -0.000 -0.454) 0.549 25.806 ( 2.368 0.000 0.273) 2.384 25.839 ( -0.039 -0.000 -0.508) 0.510 ======================= Grid point 70 (23/93) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 3.992 -12.421 22.722) 26.201 0.895 ( 6.696 -9.070 27.896) 30.088 1.701 ( 15.498 -22.401 43.871) 51.640 2.153 ( 1.997 0.770 -18.955) 19.076 2.238 ( -0.787 -0.341 -21.434) 21.451 2.734 ( -3.061 6.269 2.417) 7.383 2.777 ( -5.017 2.884 1.658) 6.020 2.876 ( -3.501 0.268 -5.171) 6.250 2.931 ( 1.391 2.809 -0.818) 3.240 3.065 ( 3.055 -0.080 1.715) 3.504 3.101 ( -3.311 2.249 -2.006) 4.477 3.232 ( 1.082 4.577 -2.735) 5.440 3.294 ( -3.945 2.441 -0.784) 4.705 3.338 ( -1.505 2.634 4.562) 5.478 3.377 ( -0.186 -2.646 1.676) 3.137 3.529 ( 0.770 3.682 -1.138) 3.930 3.560 ( -0.095 5.429 -2.104) 5.823 3.725 ( 0.530 -0.988 2.779) 2.997 3.781 ( -0.157 -4.531 -0.188) 4.538 3.878 ( -0.875 -5.363 -25.352) 25.928 4.044 ( 2.954 1.227 -0.512) 3.239 4.178 ( -2.550 -1.158 -4.573) 5.362 4.224 ( -3.332 -0.114 2.215) 4.003 4.297 ( -0.596 8.016 -0.313) 8.045 4.322 ( 6.287 -0.697 -3.050) 7.022 4.431 ( 0.266 -2.345 -1.485) 2.788 4.516 ( -1.651 -5.470 -0.475) 5.734 4.610 ( 0.703 -0.693 -3.842) 3.966 4.667 ( 4.470 -0.916 -1.276) 4.738 4.689 ( -0.762 -4.333 2.399) 5.011 4.827 ( 1.202 -1.172 -2.688) 3.169 5.120 ( 5.421 -3.212 4.623) 7.816 5.507 ( -7.943 10.123 8.468) 15.403 5.643 ( -0.452 -0.504 -0.031) 0.678 5.701 ( -2.118 3.994 5.533) 7.145 5.732 ( 1.570 1.843 3.336) 4.122 5.783 ( -1.439 -0.013 5.927) 6.099 5.834 ( 2.505 -3.202 1.668) 4.395 6.008 ( -6.994 13.791 3.454) 15.844 6.090 ( -15.686 24.157 11.156) 30.888 7.333 ( 2.541 1.104 1.220) 3.027 7.409 ( -0.092 -3.102 -2.348) 3.892 7.541 ( -2.052 6.030 -0.093) 6.370 7.554 ( -5.270 7.417 0.049) 9.099 7.688 ( 0.845 -2.862 -1.087) 3.176 7.984 ( -0.437 -7.060 -7.919) 10.618 8.033 ( 0.424 -5.281 -1.458) 5.495 8.240 ( 4.811 -1.925 1.833) 5.497 8.311 ( 2.185 -10.169 4.308) 11.258 8.457 ( 1.062 -7.053 0.981) 7.200 8.541 ( 5.152 -0.844 -2.956) 6.000 8.598 ( 2.674 -2.883 -0.389) 3.952 8.758 ( -3.799 2.032 -3.247) 5.395 8.813 ( -1.825 4.271 -0.946) 4.740 8.990 ( 6.544 -0.548 -3.194) 7.302 9.272 ( 4.742 -0.702 8.469) 9.732 9.310 ( 5.757 -12.322 -10.654) 17.277 9.801 ( -1.446 -7.243 -2.274) 7.728 9.902 ( -1.192 3.643 -1.803) 4.236 10.012 ( 7.893 -13.406 -8.183) 17.578 10.405 ( 0.486 -0.288 -10.297) 10.312 10.865 ( 0.305 1.535 -16.203) 16.279 11.036 ( -0.830 4.181 13.594) 14.247 11.324 ( -3.274 4.326 3.259) 6.329 12.119 ( -9.959 9.015 16.724) 21.451 12.402 ( 1.306 -3.859 -0.561) 4.112 13.279 ( -0.009 -0.361 0.663) 0.755 13.323 ( 0.472 -0.397 -0.614) 0.870 14.155 ( 1.308 -0.525 -0.852) 1.647 14.298 ( 0.730 -3.081 -2.552) 4.067 14.331 ( 4.286 -0.851 2.568) 5.069 14.561 ( 4.887 -12.311 -13.227) 18.719 20.908 ( 1.002 2.964 0.241) 3.138 21.012 ( 0.934 -0.110 -1.329) 1.628 21.156 ( 4.011 -1.671 2.292) 4.913 21.416 ( 3.964 -21.360 -24.194) 32.516 21.579 ( -0.130 0.148 0.011) 0.197 21.586 ( 0.274 -0.348 -0.190) 0.482 23.319 ( -1.580 0.082 1.736) 2.349 23.425 ( 0.900 -0.314 -0.429) 1.045 23.826 ( -1.996 -0.081 0.891) 2.187 23.936 ( -1.046 -1.225 -3.437) 3.796 24.063 ( 2.682 -1.091 0.908) 3.034 24.092 ( 2.547 -0.148 -0.207) 2.560 24.269 ( 1.823 0.111 0.712) 1.960 24.294 ( 0.866 -0.780 -0.635) 1.327 24.335 ( 0.771 -1.542 0.986) 1.986 24.366 ( 0.108 -1.703 0.550) 1.793 25.284 ( -17.513 31.544 30.469) 47.224 25.731 ( -5.242 8.709 -1.933) 10.347 ======================= Grid point 71 (24/93) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 6.873 -17.360 16.258) 24.757 1.282 ( 12.406 -17.002 10.748) 23.633 2.016 ( -1.503 3.122 -22.736) 22.999 2.165 ( 1.539 -1.498 -17.043) 17.178 2.365 ( 9.392 -17.362 25.371) 32.145 2.504 ( -7.590 9.364 0.067) 12.054 2.739 ( 0.320 2.644 2.588) 3.714 2.816 ( 1.106 4.187 -3.982) 5.883 2.924 ( 0.443 -1.146 0.123) 1.235 2.985 ( -5.803 4.963 -0.729) 7.671 3.069 ( -0.290 2.621 4.792) 5.470 3.139 ( -0.002 3.246 3.946) 5.110 3.212 ( -0.799 3.534 -1.359) 3.869 3.285 ( -2.340 1.949 0.976) 3.198 3.408 ( -2.840 7.470 0.238) 7.995 3.445 ( 0.184 -1.138 5.651) 5.768 3.488 ( 1.276 1.776 -3.530) 4.153 3.688 ( -4.697 4.384 3.226) 7.189 3.830 ( -0.874 0.167 -1.634) 1.861 3.923 ( 6.824 -5.715 -17.425) 19.567 4.048 ( -3.717 -0.826 -3.254) 5.009 4.137 ( 0.672 4.735 -7.667) 9.036 4.169 ( 3.044 -2.983 0.059) 4.262 4.277 ( 0.173 -5.652 0.354) 5.666 4.425 ( -1.034 1.045 -5.604) 5.794 4.458 ( 3.685 -2.462 3.920) 5.917 4.552 ( 1.126 -2.297 -3.101) 4.020 4.624 ( -0.021 -3.814 -7.540) 8.450 4.724 ( 4.118 2.845 2.824) 5.747 4.737 ( 0.934 0.096 -1.371) 1.662 4.863 ( -3.024 -7.423 5.805) 9.896 5.221 ( -0.003 0.512 9.799) 9.813 5.281 ( -4.256 9.971 5.774) 12.283 5.470 ( -7.621 12.268 4.189) 15.038 5.603 ( -5.416 8.106 1.871) 9.927 5.659 ( 0.180 5.207 1.756) 5.498 5.734 ( 2.437 0.702 2.153) 3.327 5.832 ( -2.813 -2.870 0.619) 4.066 5.892 ( -2.631 -1.183 -1.647) 3.322 5.986 ( 1.882 -1.547 -0.285) 2.453 7.274 ( -5.025 8.486 2.001) 10.063 7.380 ( -2.684 6.612 0.644) 7.165 7.406 ( -0.931 0.798 -1.317) 1.800 7.526 ( 3.814 -5.943 -3.573) 7.914 7.758 ( 0.186 -3.958 1.407) 4.205 8.055 ( 2.353 -3.763 -5.442) 7.022 8.128 ( -1.899 -6.131 -1.027) 6.500 8.326 ( 3.877 -2.423 2.934) 5.432 8.479 ( -0.854 -4.054 0.052) 4.143 8.542 ( 3.879 0.058 3.246) 5.058 8.570 ( 1.198 1.924 1.071) 2.507 8.659 ( -0.808 0.952 -0.743) 1.452 8.674 ( 1.591 1.629 -1.532) 2.744 8.759 ( -0.476 -3.358 -0.706) 3.464 9.029 ( 0.795 -2.660 -3.611) 4.555 9.348 ( 5.431 0.889 5.706) 7.927 9.486 ( -0.907 -5.445 2.492) 6.057 9.750 ( -4.336 4.978 -0.180) 6.604 9.836 ( 0.896 -1.545 -1.463) 2.309 10.268 ( 2.931 -3.183 -1.075) 4.459 10.426 ( 3.327 -9.940 -22.009) 24.377 10.791 ( 2.898 1.286 -16.202) 16.509 10.984 ( -1.203 5.379 11.398) 12.661 11.214 ( -2.513 5.534 2.151) 6.447 12.009 ( -6.941 3.345 17.740) 19.341 12.489 ( 1.763 -4.221 -1.518) 4.820 13.291 ( 0.127 -0.714 0.480) 0.869 13.339 ( 0.768 -0.913 -0.722) 1.394 14.182 ( 1.027 -1.194 0.440) 1.635 14.349 ( 1.749 -2.477 -2.387) 3.859 14.420 ( 3.322 -3.157 3.607) 5.832 14.654 ( 0.595 -2.256 -9.788) 10.062 20.855 ( -1.949 2.344 1.603) 3.444 21.016 ( 0.757 0.161 0.579) 0.967 21.258 ( 4.104 -3.917 1.330) 5.827 21.562 ( 0.129 -1.841 -6.506) 6.763 21.576 ( -0.132 0.099 0.089) 0.188 21.656 ( 4.359 -9.456 -20.888) 23.339 23.301 ( -2.403 0.413 1.844) 3.057 23.442 ( 0.589 -0.501 1.014) 1.276 23.788 ( -3.328 1.056 -1.025) 3.639 23.956 ( 1.135 -1.812 -2.552) 3.329 24.105 ( 1.256 -0.025 -0.515) 1.358 24.123 ( 2.195 -1.561 0.644) 2.769 24.277 ( 1.010 0.759 0.311) 1.301 24.331 ( 1.807 -1.158 2.460) 3.264 24.386 ( 0.429 -2.161 3.282) 3.953 24.413 ( 1.699 -2.723 -0.025) 3.210 24.842 ( -10.334 17.579 26.880) 33.739 25.445 ( -8.292 13.820 -5.295) 16.964 ======================= Grid point 72 (25/93) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 5.496 -14.219 11.392) 19.030 1.759 ( 12.342 -18.584 0.993) 22.331 1.926 ( 1.756 -2.737 -9.702) 10.233 2.164 ( 0.713 1.169 -8.079) 8.194 2.263 ( -4.958 3.500 -7.656) 9.770 2.565 ( 1.296 5.128 -0.645) 5.328 2.688 ( -1.628 8.321 -2.810) 8.933 2.762 ( -3.149 0.533 -2.912) 4.322 2.852 ( -1.672 5.301 2.553) 6.117 2.925 ( -1.761 -2.021 10.676) 11.007 3.095 ( -1.147 -0.170 -1.669) 2.032 3.134 ( 2.471 3.701 3.743) 5.814 3.190 ( -0.801 4.141 -1.568) 4.500 3.208 ( 2.275 -3.667 6.713) 7.980 3.320 ( -4.380 1.829 2.971) 5.599 3.430 ( -0.575 3.603 5.000) 6.190 3.459 ( 2.198 0.668 -0.254) 2.311 3.632 ( -1.068 -1.397 4.636) 4.959 3.745 ( -3.372 4.161 1.758) 5.637 3.990 ( 1.818 0.772 -12.542) 12.696 4.030 ( 1.159 -2.285 -15.053) 15.270 4.123 ( 3.432 -5.563 -3.988) 7.657 4.204 ( -7.174 7.617 -6.886) 12.526 4.305 ( 3.870 -5.351 -0.088) 6.605 4.426 ( 1.526 -6.077 3.465) 7.160 4.519 ( 0.174 -0.279 1.710) 1.741 4.638 ( 3.367 1.790 0.536) 3.851 4.648 ( 0.890 -1.723 -4.224) 4.648 4.680 ( 1.085 -1.578 -0.280) 1.936 4.801 ( 4.143 -1.249 4.826) 6.482 4.976 ( -4.554 -4.230 4.479) 7.661 5.087 ( -2.147 5.306 6.780) 8.873 5.195 ( -5.378 6.193 1.459) 8.331 5.310 ( 1.576 3.503 0.955) 3.958 5.447 ( -3.180 3.422 0.570) 4.706 5.614 ( -0.036 2.554 5.692) 6.239 5.746 ( 0.968 0.668 -3.419) 3.615 5.817 ( -1.074 1.282 0.801) 1.854 5.915 ( -2.836 -4.433 -1.340) 5.430 6.042 ( 1.191 -2.003 1.776) 2.930 7.075 ( -6.152 6.650 1.074) 9.123 7.226 ( -1.841 6.198 -0.979) 6.539 7.436 ( -0.039 -2.423 0.522) 2.479 7.669 ( 5.804 -5.178 -2.437) 8.151 7.828 ( 0.113 -2.800 2.798) 3.960 8.121 ( 1.661 -3.188 -3.100) 4.747 8.195 ( -1.679 -4.654 -2.001) 5.337 8.388 ( 1.438 3.949 2.245) 4.764 8.441 ( -1.678 3.454 -0.621) 3.890 8.457 ( -0.827 1.876 -0.192) 2.059 8.603 ( -0.043 -1.837 -0.198) 1.848 8.670 ( 2.320 -1.310 1.629) 3.123 8.726 ( 2.077 -2.085 -3.292) 4.416 8.812 ( 2.177 -0.165 0.801) 2.325 9.079 ( -0.548 -4.232 -2.917) 5.169 9.396 ( 3.678 0.936 2.741) 4.682 9.472 ( -5.125 1.991 2.163) 5.908 9.618 ( -2.367 5.584 4.176) 7.364 9.953 ( 1.918 -6.318 0.044) 6.603 10.287 ( 0.965 0.114 5.056) 5.149 10.524 ( -1.679 -6.816 -17.686) 19.028 10.749 ( 4.202 0.897 -14.752) 15.365 10.958 ( 3.149 1.564 4.746) 5.906 11.118 ( -0.219 4.565 1.912) 4.954 11.964 ( -7.376 1.965 16.248) 17.952 12.556 ( 1.582 -2.340 -2.512) 3.780 13.307 ( 0.107 -0.692 0.447) 0.831 13.359 ( 0.701 -0.785 -0.727) 1.279 14.213 ( 0.505 -0.940 1.479) 1.824 14.390 ( 0.514 -1.802 -2.975) 3.516 14.518 ( 3.182 -2.366 4.061) 5.675 14.624 ( -0.732 0.870 -5.733) 5.845 20.818 ( -1.029 1.180 4.112) 4.400 21.026 ( -0.109 -0.193 1.961) 1.973 21.340 ( 1.159 -1.852 -4.690) 5.174 21.561 ( 0.202 -0.357 -1.178) 1.248 21.574 ( -0.073 0.014 0.131) 0.150 21.785 ( 6.665 -9.074 -16.556) 20.022 23.277 ( -2.331 0.357 2.211) 3.232 23.459 ( -0.336 -0.512 2.448) 2.523 23.726 ( -3.236 1.578 -1.451) 3.882 23.985 ( 2.574 -0.080 -1.492) 2.976 24.102 ( -0.308 0.614 -0.063) 0.690 24.160 ( 1.000 -0.317 -0.193) 1.067 24.268 ( -0.038 1.326 1.667) 2.131 24.360 ( -0.542 1.567 8.606) 8.764 24.433 ( -0.111 -1.512 1.822) 2.370 24.497 ( 2.779 -3.798 -1.292) 4.880 24.652 ( -3.225 5.531 12.283) 13.851 25.100 ( -7.365 12.143 -7.492) 16.057 ======================= Grid point 73 (26/93) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( -3.954 11.743 3.144) 12.783 2.014 ( 2.744 -8.973 -2.523) 9.717 2.150 ( 7.677 -9.706 5.732) 13.638 2.158 ( 2.812 -9.707 4.428) 11.034 2.262 ( 1.401 0.479 -10.696) 10.798 2.402 ( -0.641 6.475 -3.891) 7.581 2.572 ( -2.856 -0.554 -2.814) 4.048 2.669 ( -0.166 4.459 -6.374) 7.780 2.739 ( 2.130 5.453 1.308) 5.998 3.014 ( 0.299 0.586 2.560) 2.643 3.043 ( -1.888 -2.765 3.616) 4.928 3.116 ( 0.386 2.303 -3.663) 4.344 3.178 ( 0.932 -1.585 4.019) 4.419 3.218 ( -3.093 1.975 1.733) 4.058 3.259 ( -2.292 1.783 -0.829) 3.020 3.392 ( -0.102 4.440 6.098) 7.543 3.476 ( -0.458 0.169 -1.232) 1.325 3.664 ( -3.577 3.503 6.998) 8.604 3.705 ( -1.226 -1.609 1.554) 2.551 3.932 ( 3.456 -1.866 -8.947) 9.771 3.948 ( -2.686 0.631 -14.490) 14.750 4.127 ( -2.325 -7.036 -3.823) 8.338 4.278 ( 5.816 -6.634 -6.562) 10.996 4.402 ( 1.674 -1.235 -5.567) 5.943 4.482 ( 0.972 1.372 4.333) 4.648 4.567 ( -2.231 0.124 1.702) 2.809 4.623 ( 2.604 -3.520 4.804) 6.500 4.646 ( 1.110 3.771 2.450) 4.631 4.686 ( -1.540 2.657 3.628) 4.754 4.865 ( 1.957 3.368 1.925) 4.345 4.966 ( -2.473 -3.159 4.368) 5.931 5.069 ( 1.390 3.385 0.093) 3.660 5.111 ( -1.282 -3.552 -1.791) 4.179 5.270 ( 1.729 3.017 0.243) 3.486 5.414 ( -1.819 0.504 4.568) 4.943 5.629 ( -0.248 -1.238 8.722) 8.813 5.708 ( -1.271 0.202 -6.560) 6.685 5.796 ( 1.941 2.391 0.479) 3.117 5.937 ( -3.021 -1.374 -0.549) 3.364 6.075 ( -0.949 -0.507 1.867) 2.154 6.970 ( -2.694 -0.072 0.419) 2.727 7.160 ( 2.101 0.447 -1.382) 2.554 7.468 ( -1.777 -1.593 0.650) 2.473 7.758 ( 3.049 0.551 0.264) 3.110 7.878 ( 1.600 -0.968 2.600) 3.203 8.167 ( 1.067 -2.190 -3.292) 4.095 8.204 ( -4.070 1.475 -3.066) 5.305 8.323 ( -0.072 -0.225 1.237) 1.260 8.378 ( 0.867 0.674 1.434) 1.806 8.500 ( 3.328 -0.330 1.585) 3.701 8.613 ( -0.621 0.833 -3.001) 3.176 8.690 ( -1.045 -0.271 0.662) 1.266 8.737 ( 0.043 0.591 -3.516) 3.566 8.805 ( 0.619 2.680 0.088) 2.752 9.125 ( -0.698 -2.272 -2.699) 3.596 9.393 ( -4.014 1.096 -0.493) 4.189 9.422 ( 2.632 -0.634 0.306) 2.725 9.575 ( 0.902 2.168 9.553) 9.838 10.010 ( -1.962 -0.372 0.321) 2.023 10.362 ( 1.565 -4.031 7.365) 8.541 10.500 ( -3.799 -1.481 -11.937) 12.614 10.738 ( 4.942 -1.087 -13.663) 14.570 11.006 ( 5.390 -0.577 -5.014) 7.384 11.075 ( 1.584 2.391 4.778) 5.573 11.912 ( -8.442 2.081 15.877) 18.102 12.578 ( 1.109 0.121 -2.867) 3.077 13.316 ( -0.214 -0.072 0.517) 0.564 13.369 ( 0.280 0.017 -0.762) 0.812 14.235 ( -0.118 -0.531 2.269) 2.333 14.387 ( -1.586 -0.103 -4.312) 4.595 14.540 ( -0.062 3.157 1.541) 3.514 14.644 ( 2.810 -3.999 -0.823) 4.956 20.828 ( 0.948 0.045 6.088) 6.161 21.033 ( -1.354 -0.412 2.382) 2.770 21.303 ( -1.642 1.987 -8.386) 8.773 21.568 ( 0.301 -0.179 -0.058) 0.355 21.575 ( -0.027 -0.152 0.204) 0.256 21.991 ( 8.763 -11.484 -12.439) 19.063 23.265 ( -1.568 -0.250 2.962) 3.361 23.469 ( -1.306 -0.252 2.912) 3.201 23.665 ( -2.566 1.781 1.456) 3.446 23.992 ( 3.657 2.835 0.658) 4.674 24.078 ( -1.178 1.119 -0.010) 1.624 24.156 ( -0.417 0.551 -0.580) 0.902 24.245 ( -1.139 1.586 3.433) 3.950 24.336 ( -2.132 2.677 5.315) 6.322 24.443 ( -1.174 0.208 0.812) 1.442 24.514 ( -0.259 1.849 -2.118) 2.824 24.618 ( -2.240 3.395 0.837) 4.153 24.960 ( 3.108 -4.978 -3.350) 6.758 ======================= Grid point 74 (27/93) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -7.390 20.222 4.385) 21.972 1.818 ( -10.273 21.960 -7.101) 25.262 2.228 ( 0.934 0.824 4.624) 4.789 2.300 ( -3.052 -1.714 -4.291) 5.538 2.406 ( 3.626 -9.208 0.725) 9.923 2.484 ( 5.147 -2.112 -9.017) 10.596 2.562 ( 1.307 4.337 -6.456) 7.886 2.599 ( 4.074 -6.436 9.050) 11.829 2.794 ( 5.281 -5.196 2.511) 7.823 2.939 ( -1.873 4.880 -2.637) 5.854 3.031 ( 0.916 2.549 -2.206) 3.493 3.135 ( 1.677 -2.345 9.437) 9.868 3.161 ( -2.366 0.626 0.059) 2.448 3.247 ( 0.215 -3.536 -0.010) 3.543 3.263 ( -3.090 -6.762 2.609) 7.879 3.394 ( 1.986 -5.108 0.557) 5.509 3.458 ( 1.750 3.339 0.002) 3.770 3.603 ( -3.624 -1.222 5.056) 6.340 3.758 ( 0.316 -3.482 -1.224) 3.704 3.907 ( 0.302 -3.210 -8.908) 9.473 3.982 ( 0.039 -4.453 -10.973) 11.842 4.259 ( 0.827 -5.660 1.217) 5.848 4.313 ( 1.091 2.151 -7.880) 8.240 4.375 ( -4.145 8.423 1.221) 9.467 4.455 ( 3.172 -2.703 -5.095) 6.583 4.538 ( -0.062 0.087 -3.535) 3.537 4.605 ( -5.988 2.835 5.130) 8.379 4.628 ( -0.767 -0.378 3.400) 3.506 4.732 ( 1.625 -1.635 2.895) 3.701 4.847 ( 3.243 0.826 5.572) 6.500 4.973 ( 0.835 0.163 4.298) 4.381 5.077 ( 1.076 3.156 -1.643) 3.717 5.169 ( 1.241 -2.155 2.503) 3.528 5.242 ( 0.788 1.981 4.202) 4.712 5.427 ( 0.048 -3.414 -0.069) 3.415 5.670 ( -1.370 -1.688 -3.932) 4.493 5.708 ( 1.614 -1.207 5.200) 5.577 5.772 ( 2.221 2.410 -1.612) 3.652 5.909 ( -2.909 0.257 0.712) 3.006 6.055 ( -2.413 1.160 1.360) 3.003 7.031 ( 1.476 -7.039 -0.028) 7.192 7.239 ( 5.324 -5.076 -0.666) 7.386 7.457 ( -2.401 0.302 -0.169) 2.426 7.714 ( -0.233 5.509 0.309) 5.522 7.897 ( 0.247 1.863 3.716) 4.164 8.100 ( -3.784 2.892 -3.417) 5.862 8.203 ( 1.742 -1.550 -2.449) 3.382 8.348 ( 1.681 0.090 2.375) 2.911 8.443 ( 2.185 -3.284 0.270) 3.954 8.507 ( -0.620 5.040 -1.603) 5.325 8.550 ( 0.555 0.616 0.272) 0.872 8.677 ( -1.938 2.499 -2.094) 3.794 8.698 ( -0.578 -0.900 1.023) 1.480 8.749 ( -1.240 2.372 -1.752) 3.199 9.101 ( -2.937 1.124 -3.763) 4.904 9.372 ( -0.932 -0.427 0.322) 1.074 9.473 ( 1.164 -0.770 5.249) 5.431 9.624 ( 3.302 -2.495 4.882) 6.400 9.953 ( -4.266 2.855 1.620) 5.383 10.429 ( -2.036 -1.350 -15.252) 15.446 10.505 ( 1.452 -5.023 11.087) 12.258 10.769 ( 6.602 -1.605 -15.400) 16.832 11.011 ( 2.126 -0.197 -12.902) 13.078 11.113 ( 3.689 0.124 8.728) 9.476 11.855 ( -8.463 1.980 18.183) 20.153 12.552 ( 0.374 2.525 -2.498) 3.571 13.308 ( -0.567 0.658 0.542) 1.024 13.359 ( -0.117 0.765 -0.795) 1.110 14.248 ( -0.432 -0.104 2.951) 2.984 14.337 ( -2.790 1.166 -4.228) 5.197 14.478 ( -1.642 3.298 0.830) 3.777 14.748 ( 3.865 -3.989 -1.510) 5.756 20.878 ( 2.391 -0.749 6.584) 7.045 21.032 ( -2.334 -0.825 1.680) 2.992 21.204 ( -2.481 3.147 -6.689) 7.798 21.572 ( 0.145 -0.099 0.025) 0.177 21.580 ( 0.128 -0.185 0.103) 0.247 22.208 ( 7.569 -10.056 -21.454) 24.874 23.279 ( -0.348 -0.993 2.775) 2.967 23.463 ( -1.812 0.286 2.206) 2.869 23.646 ( -0.798 0.629 12.720) 12.761 23.962 ( 3.123 5.182 2.284) 6.467 24.048 ( -0.351 0.871 -2.054) 2.258 24.130 ( -1.711 0.745 -2.464) 3.091 24.221 ( -1.717 1.930 7.073) 7.530 24.272 ( -1.728 2.148 -1.400) 3.092 24.405 ( -2.463 1.928 0.871) 3.247 24.458 ( -1.681 1.528 -1.545) 2.747 24.552 ( -0.547 2.317 1.663) 2.904 25.194 ( 8.076 -13.105 -1.960) 15.518 ======================= Grid point 75 (28/93) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -7.109 20.626 11.505) 24.664 1.226 ( -13.785 27.596 -8.036) 31.877 1.893 ( -15.219 27.243 22.360) 38.389 2.305 ( 0.962 -0.839 -16.275) 16.325 2.457 ( 2.248 3.442 -14.913) 15.469 2.541 ( 6.521 -5.630 -2.204) 8.893 2.600 ( 0.345 -8.907 2.336) 9.214 2.797 ( 4.313 -2.948 8.750) 10.191 2.960 ( 3.671 -6.338 0.965) 7.388 3.009 ( 2.502 -1.944 -4.496) 5.500 3.012 ( 2.012 -6.800 1.052) 7.169 3.168 ( -0.326 -1.238 2.048) 2.415 3.213 ( 4.177 -1.065 6.437) 7.747 3.304 ( -2.311 -3.178 1.055) 4.069 3.389 ( 1.327 -7.584 -1.120) 7.780 3.425 ( 1.193 1.802 2.924) 3.636 3.566 ( 1.105 -9.269 -2.461) 9.654 3.630 ( -3.012 -3.187 2.032) 4.833 3.803 ( 3.846 -0.480 1.776) 4.264 3.969 ( -0.745 -6.175 -8.169) 10.267 4.072 ( 0.875 -10.249 -4.937) 11.409 4.116 ( -3.294 10.991 1.334) 11.551 4.234 ( -4.264 1.354 -6.098) 7.563 4.374 ( 0.838 1.552 3.713) 4.111 4.442 ( -1.527 0.442 -8.372) 8.522 4.471 ( 2.262 3.205 -5.570) 6.813 4.544 ( -3.384 -0.629 -0.943) 3.569 4.651 ( -2.894 1.174 -0.659) 3.192 4.775 ( 1.747 -2.915 -3.388) 4.799 4.860 ( 0.421 3.298 3.214) 4.624 4.946 ( -2.932 8.356 -4.313) 9.850 5.084 ( -1.109 7.785 8.059) 11.260 5.133 ( 7.662 -7.525 13.322) 17.112 5.353 ( 2.361 -7.792 8.863) 12.035 5.542 ( 3.449 -6.813 0.122) 7.637 5.682 ( 2.898 -0.669 -4.217) 5.161 5.729 ( 0.307 2.338 2.248) 3.258 5.754 ( -0.327 -0.036 -2.079) 2.104 5.897 ( -2.402 -0.465 3.097) 3.947 6.027 ( -0.899 -0.700 0.307) 1.179 7.202 ( 2.738 -8.653 -0.482) 9.089 7.391 ( 4.192 -4.628 -0.745) 6.289 7.439 ( 0.812 -1.840 0.313) 2.036 7.595 ( -1.852 5.943 -0.673) 6.261 7.852 ( -3.681 2.488 3.168) 5.457 8.018 ( -0.137 2.848 -2.668) 3.904 8.214 ( -0.681 0.883 -5.134) 5.253 8.321 ( -1.205 6.697 2.803) 7.359 8.377 ( 1.923 4.887 1.989) 5.615 8.465 ( -1.589 5.322 0.705) 5.599 8.524 ( -0.268 0.822 -1.034) 1.348 8.685 ( 0.414 -0.739 0.953) 1.275 8.694 ( 0.488 -1.585 -2.876) 3.320 8.757 ( 1.306 -5.049 0.467) 5.236 9.026 ( -4.568 0.969 -4.017) 6.159 9.331 ( -2.450 4.649 2.510) 5.824 9.496 ( -2.325 0.432 8.247) 8.579 9.756 ( 4.773 -6.089 0.106) 7.737 9.886 ( -3.035 0.276 2.124) 3.715 10.359 ( -0.623 1.245 -18.750) 18.801 10.620 ( 2.569 0.207 -6.227) 6.739 10.787 ( 4.414 -1.416 -5.939) 7.533 10.986 ( 0.251 -2.643 -13.881) 14.132 11.199 ( 3.784 -1.878 8.054) 9.095 11.845 ( -5.400 -0.578 24.145) 24.748 12.484 ( -0.440 4.182 -1.623) 4.507 13.291 ( -0.596 0.822 0.544) 1.152 13.339 ( -0.184 0.872 -0.821) 1.212 14.248 ( -1.078 0.902 2.106) 2.532 14.271 ( -2.871 1.035 -2.162) 3.739 14.405 ( -2.562 2.773 0.158) 3.779 14.820 ( 2.846 -1.162 -7.244) 7.870 20.939 ( 0.772 -1.333 5.406) 5.622 21.037 ( -1.170 -1.618 0.566) 2.076 21.106 ( -2.720 2.443 -4.222) 5.585 21.576 ( 0.096 -0.191 0.091) 0.233 21.583 ( 0.130 -0.024 -0.022) 0.134 22.233 ( 1.025 0.495 -44.008) 44.023 23.303 ( 0.591 -0.554 1.019) 1.301 23.442 ( -1.290 0.807 0.444) 1.584 23.768 ( 3.378 -3.835 27.782) 28.248 23.900 ( 2.201 5.017 0.471) 5.499 24.027 ( 0.988 1.122 -1.673) 2.244 24.080 ( -2.446 0.879 -3.400) 4.280 24.221 ( -0.834 -0.177 11.092) 11.124 24.255 ( -0.127 -1.165 2.314) 2.593 24.359 ( -2.653 0.760 1.158) 2.993 24.406 ( -2.998 1.922 0.629) 3.616 24.543 ( 2.590 -0.188 7.013) 7.479 25.498 ( 7.771 -12.803 -1.948) 15.103 ======================= Grid point 76 (29/93) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( -9.209 18.813 13.394) 24.862 0.708 ( -4.725 16.003 23.839) 29.098 1.344 ( -16.935 28.674 39.874) 51.951 2.249 ( 1.005 0.668 -14.184) 14.235 2.367 ( 2.230 1.819 -18.074) 18.302 2.702 ( 1.617 -5.824 1.384) 6.200 2.781 ( 6.172 -7.768 1.225) 9.996 2.898 ( 2.454 -2.443 -0.502) 3.499 2.972 ( 2.212 2.793 -0.916) 3.679 3.062 ( -4.372 1.397 -2.837) 5.396 3.135 ( 5.921 -4.936 0.014) 7.708 3.214 ( -1.217 -3.387 -2.960) 4.660 3.300 ( 1.304 0.680 3.722) 4.002 3.332 ( 1.661 -2.711 1.489) 3.511 3.425 ( -4.452 -2.412 2.525) 5.658 3.514 ( 0.311 -5.217 -1.658) 5.483 3.607 ( 1.667 1.847 0.763) 2.602 3.689 ( -6.819 -6.209 -1.872) 9.410 3.818 ( -0.777 4.237 0.965) 4.414 3.975 ( 3.375 0.821 -0.751) 3.554 4.087 ( 0.098 -6.198 -3.783) 7.262 4.164 ( -0.570 -2.927 -6.761) 7.390 4.270 ( -0.967 -5.042 -6.695) 8.437 4.295 ( -0.758 2.966 -9.658) 10.131 4.328 ( -2.927 0.456 3.671) 4.717 4.464 ( 1.214 1.924 -4.502) 5.044 4.545 ( -0.184 0.305 0.027) 0.357 4.590 ( -0.718 2.134 -3.313) 4.006 4.703 ( -4.270 4.430 -2.881) 6.794 4.732 ( -3.005 6.107 -5.334) 8.648 4.813 ( 3.381 8.486 -2.087) 9.370 4.995 ( 1.671 4.652 6.384) 8.074 5.451 ( 5.991 -11.025 19.225) 22.957 5.615 ( 3.625 -7.174 9.997) 12.828 5.660 ( -0.641 1.553 -0.812) 1.866 5.700 ( 4.696 0.947 -3.340) 5.840 5.718 ( -1.696 -1.815 1.662) 2.988 5.833 ( 2.544 -0.754 7.006) 7.491 5.911 ( 6.898 -21.392 17.094) 28.239 6.085 ( 1.914 -4.492 0.694) 4.932 7.303 ( 0.012 -1.799 -0.369) 1.836 7.452 ( -1.471 3.043 -1.648) 3.760 7.503 ( 3.858 -5.822 -0.325) 6.992 7.582 ( 2.928 -3.894 0.966) 4.966 7.775 ( -6.933 0.368 -0.883) 6.999 7.975 ( 3.799 4.091 -1.475) 5.775 8.080 ( -4.663 5.031 -6.869) 9.708 8.234 ( -1.541 7.520 6.901) 10.323 8.274 ( -1.141 4.078 -1.238) 4.412 8.395 ( 7.326 8.042 -0.916) 10.917 8.506 ( 0.033 0.063 -1.528) 1.530 8.622 ( -3.020 2.272 -1.097) 3.936 8.802 ( 2.791 -4.318 -0.816) 5.206 8.857 ( 2.483 -2.343 -0.951) 3.543 8.954 ( -10.201 -3.086 -3.664) 11.270 9.216 ( -3.046 5.091 3.941) 7.122 9.457 ( -9.687 2.192 2.132) 10.158 9.870 ( -1.658 1.044 -2.841) 3.451 9.908 ( 1.860 -3.560 -0.185) 4.021 10.049 ( -4.622 24.244 -32.632) 40.914 10.494 ( 1.482 3.179 -17.157) 17.512 10.912 ( 1.458 -4.619 13.136) 14.000 10.988 ( 0.136 -2.598 -14.255) 14.490 11.306 ( 2.619 -2.896 6.475) 7.561 12.030 ( 4.233 -12.399 26.522) 29.582 12.401 ( -0.740 3.678 -0.692) 3.815 13.277 ( -0.349 0.442 0.620) 0.838 13.323 ( 0.023 0.438 -0.713) 0.837 14.196 ( -4.008 0.538 -2.180) 4.593 14.252 ( -0.139 0.677 2.348) 2.448 14.339 ( -3.017 1.422 -0.793) 3.428 14.697 ( -3.934 13.104 -20.237) 24.428 20.969 ( -6.742 -3.762 2.089) 7.998 21.035 ( -2.095 1.378 -2.192) 3.331 21.072 ( 1.923 -1.259 0.118) 2.301 21.580 ( 0.107 -0.073 0.000) 0.130 21.584 ( 0.047 0.119 -0.129) 0.182 21.757 ( -12.530 27.631 -50.612) 59.009 23.316 ( 0.515 0.186 1.480) 1.578 23.422 ( -0.131 0.393 -0.730) 0.839 23.837 ( 0.251 2.208 0.968) 2.424 23.961 ( 3.777 -0.994 7.926) 8.836 24.018 ( 1.350 0.634 -0.333) 1.528 24.036 ( -0.710 0.523 -2.566) 2.713 24.249 ( -0.366 -0.880 0.436) 1.048 24.297 ( -0.480 0.353 2.065) 2.149 24.337 ( -1.784 1.658 0.563) 2.500 24.359 ( -0.778 0.293 2.757) 2.880 24.958 ( 19.994 -32.470 48.741) 61.884 25.743 ( 4.871 -8.128 -1.154) 9.546 ======================= Grid point 78 (30/93) ======================= q-point: ( 0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 7.817 0.000 25.747) 26.908 1.053 ( 11.411 0.000 27.076) 29.382 1.914 ( 26.238 0.000 46.557) 53.442 2.107 ( 2.109 0.000 -20.572) 20.680 2.136 ( -2.337 -0.000 -24.214) 24.326 2.736 ( -6.819 -0.000 2.007) 7.108 2.737 ( -10.643 -0.000 0.262) 10.646 2.811 ( -0.359 -0.000 1.288) 1.337 2.976 ( -4.159 -0.000 -2.381) 4.792 3.063 ( 3.612 0.000 1.799) 4.035 3.153 ( 3.015 0.000 0.258) 3.026 3.282 ( 1.300 0.000 -3.128) 3.388 3.295 ( -2.805 -0.000 -0.121) 2.808 3.321 ( -3.807 -0.000 -0.030) 3.807 3.383 ( 0.794 0.000 6.281) 6.331 3.555 ( -0.728 -0.000 -4.448) 4.507 3.606 ( -5.994 -0.000 -12.528) 13.887 3.648 ( 3.656 0.000 1.166) 3.838 3.756 ( 5.966 0.000 -19.255) 20.158 3.766 ( -2.180 -0.000 2.960) 3.676 4.064 ( -5.124 -0.000 2.664) 5.775 4.068 ( -0.656 -0.000 -7.396) 7.425 4.206 ( -6.437 -0.000 5.455) 8.438 4.301 ( -3.599 -0.000 -9.437) 10.100 4.390 ( 6.968 0.000 -3.675) 7.878 4.424 ( -0.912 -0.000 -1.831) 2.046 4.495 ( 6.300 0.000 5.142) 8.132 4.603 ( 1.065 0.000 0.022) 1.065 4.652 ( 0.897 0.000 2.250) 2.422 4.718 ( 6.970 0.000 0.461) 6.985 4.841 ( 1.714 0.000 -4.152) 4.492 5.171 ( 7.266 0.000 2.215) 7.596 5.518 ( -9.997 -0.000 4.156) 10.827 5.651 ( -0.015 -0.000 0.909) 0.909 5.674 ( -2.867 -0.000 -2.108) 3.558 5.765 ( 0.192 0.000 4.724) 4.728 5.811 ( -8.122 -0.000 11.570) 14.136 5.857 ( 3.711 0.000 2.679) 4.577 5.989 ( -8.285 -0.000 -3.220) 8.889 6.145 ( -37.493 -0.000 12.940) 39.663 7.365 ( 1.198 0.000 0.007) 1.198 7.382 ( 1.366 0.000 -2.139) 2.538 7.536 ( -6.892 -0.000 0.158) 6.893 7.579 ( -8.856 -0.000 1.527) 8.987 7.756 ( 5.988 0.000 -5.619) 8.211 7.787 ( 3.154 0.000 -2.872) 4.266 8.109 ( 7.427 0.000 1.020) 7.496 8.187 ( 6.872 0.000 -0.557) 6.894 8.336 ( 5.988 0.000 6.453) 8.803 8.394 ( 4.977 0.000 4.111) 6.455 8.553 ( 2.500 0.000 -3.703) 4.468 8.611 ( 4.273 0.000 1.219) 4.444 8.759 ( -2.979 -0.000 -4.823) 5.669 8.823 ( -4.159 -0.000 -0.434) 4.182 9.052 ( 4.777 0.000 -5.045) 6.948 9.163 ( 8.163 0.000 -5.176) 9.666 9.505 ( 24.672 0.000 -14.460) 28.597 9.654 ( -3.487 -0.000 9.282) 9.916 9.921 ( 1.408 0.000 -2.191) 2.604 9.952 ( -0.128 -0.000 -0.257) 0.287 10.386 ( 0.335 0.000 -4.331) 4.344 10.813 ( 0.997 0.000 -17.989) 18.017 11.105 ( -2.981 -0.000 12.654) 13.000 11.333 ( -5.168 -0.000 2.715) 5.838 12.137 ( -11.610 -0.000 13.461) 17.776 12.373 ( 1.331 0.000 -0.746) 1.526 13.279 ( 0.108 0.000 0.658) 0.667 13.323 ( 0.633 0.000 -0.611) 0.880 14.174 ( 1.713 0.000 -1.214) 2.100 14.263 ( 2.979 0.000 -2.934) 4.181 14.382 ( 3.020 0.000 0.941) 3.163 14.499 ( 12.935 0.000 -7.523) 14.963 20.969 ( -1.895 -0.000 -0.144) 1.900 21.096 ( -2.164 -0.000 -2.764) 3.510 21.131 ( 16.463 0.000 -12.463) 20.648 21.209 ( 6.439 0.000 -0.011) 6.439 21.579 ( -0.145 -0.000 -0.124) 0.191 21.585 ( 0.098 0.000 0.132) 0.164 23.307 ( -2.349 -0.000 1.657) 2.875 23.431 ( 1.624 0.000 -1.197) 2.018 23.821 ( -1.570 -0.000 2.862) 3.264 23.896 ( -0.906 -0.000 -3.442) 3.559 24.096 ( 4.690 0.000 1.111) 4.819 24.099 ( 0.560 0.000 -2.468) 2.531 24.299 ( 2.013 0.000 0.743) 2.146 24.301 ( 3.169 0.000 0.608) 3.227 24.341 ( 1.678 0.000 0.125) 1.682 24.342 ( -0.052 -0.000 -0.661) 0.663 25.393 ( -32.032 -0.000 22.962) 39.412 25.719 ( -11.007 -0.000 -2.393) 11.264 ======================= Grid point 79 (31/93) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 14.662 -11.251 15.990) 24.438 1.309 ( 13.315 -4.587 20.366) 24.761 1.949 ( -4.186 3.129 -26.140) 26.657 2.081 ( 2.658 -2.445 -19.948) 20.273 2.405 ( 16.351 -5.114 28.947) 33.637 2.568 ( -6.088 4.524 5.784) 9.538 2.695 ( -7.590 -1.132 1.313) 7.786 2.845 ( 0.539 -2.374 4.965) 5.529 2.913 ( -2.145 1.264 -1.650) 2.987 3.062 ( -0.535 5.604 0.330) 5.639 3.140 ( 0.968 2.432 5.819) 6.381 3.225 ( -3.439 2.318 -0.421) 4.169 3.236 ( 2.119 4.714 -1.411) 5.357 3.294 ( -2.285 0.502 0.947) 2.524 3.408 ( -2.541 -0.330 0.722) 2.662 3.489 ( -1.220 1.036 -7.137) 7.314 3.574 ( -2.118 7.082 6.368) 9.756 3.588 ( -4.594 -3.640 -7.152) 9.247 3.795 ( -2.059 -3.119 1.135) 3.905 3.820 ( 8.020 -6.110 -18.062) 20.685 4.018 ( -10.328 -0.982 -2.357) 10.639 4.055 ( -4.052 -0.734 -0.634) 4.166 4.149 ( 2.063 -0.143 -1.593) 2.611 4.255 ( 4.561 -0.624 -4.800) 6.651 4.419 ( -1.949 -0.701 -4.924) 5.342 4.467 ( 5.339 -0.786 -3.162) 6.255 4.539 ( 4.671 -0.319 2.464) 5.290 4.637 ( 4.329 0.493 1.003) 4.470 4.720 ( 1.747 -4.419 1.559) 5.001 4.769 ( 3.801 2.302 -1.152) 4.591 4.843 ( 2.090 -0.516 2.916) 3.625 5.253 ( 3.386 -0.408 4.899) 5.969 5.376 ( -8.790 5.276 3.473) 10.824 5.612 ( -13.446 10.641 5.990) 18.163 5.640 ( -4.803 1.514 1.283) 5.197 5.686 ( -6.696 -3.147 -2.216) 7.723 5.723 ( -9.537 3.714 3.822) 10.925 5.806 ( -0.990 2.553 6.099) 6.686 5.871 ( -1.912 3.041 -3.466) 4.991 5.984 ( 2.850 -1.661 -0.931) 3.427 7.314 ( -7.877 4.322 -1.727) 9.150 7.400 ( 0.601 0.601 -1.633) 1.841 7.449 ( -7.653 3.697 1.880) 8.705 7.498 ( 4.301 -2.247 0.532) 4.882 7.750 ( 5.164 0.604 0.004) 5.199 7.948 ( 2.542 -8.522 -3.897) 9.709 8.097 ( 5.520 2.835 -1.264) 6.333 8.366 ( 2.285 -4.032 3.135) 5.596 8.402 ( 3.669 -2.776 6.129) 7.664 8.546 ( 4.012 -5.872 3.880) 8.101 8.604 ( 3.017 -4.381 -2.225) 5.766 8.637 ( -3.682 2.741 1.856) 4.951 8.683 ( 2.748 0.361 -6.456) 7.026 8.726 ( -5.448 4.433 0.534) 7.044 9.043 ( 3.556 1.810 -3.636) 5.399 9.351 ( 5.502 -8.635 2.762) 10.605 9.502 ( 4.810 5.412 0.317) 7.248 9.712 ( -5.359 -1.563 -2.911) 6.296 9.876 ( 2.024 3.537 -1.916) 4.503 10.120 ( 8.156 -12.407 -9.609) 17.685 10.366 ( 0.454 1.561 -1.229) 2.038 10.765 ( 3.945 -0.184 -18.666) 19.079 11.077 ( -4.073 3.680 9.591) 11.051 11.266 ( -4.254 2.612 2.865) 5.756 12.061 ( -7.016 3.353 14.108) 16.109 12.424 ( 1.342 -4.098 -1.354) 4.519 13.286 ( 0.323 -0.340 0.490) 0.678 13.333 ( 1.016 -0.498 -0.702) 1.332 14.188 ( 2.108 -0.163 -0.281) 2.133 14.319 ( 2.320 -2.947 -1.339) 3.983 14.424 ( 4.222 -0.692 1.210) 4.446 14.602 ( 5.025 -2.513 -7.124) 9.073 20.916 ( -0.207 4.089 2.280) 4.687 21.026 ( -0.378 0.989 -1.856) 2.137 21.261 ( 6.413 -1.554 0.317) 6.607 21.389 ( 7.382 -11.068 -17.585) 22.050 21.576 ( -0.170 0.096 -0.049) 0.201 21.590 ( 0.260 -0.524 -0.333) 0.673 23.285 ( -2.907 0.131 1.446) 3.250 23.446 ( 1.513 -0.135 -0.836) 1.734 23.792 ( -1.838 2.150 1.792) 3.348 23.914 ( 0.630 -2.953 -1.408) 3.331 24.093 ( -0.526 -0.722 -3.637) 3.745 24.154 ( 5.738 0.119 0.984) 5.823 24.307 ( 1.868 1.241 -0.911) 2.421 24.341 ( 2.707 -1.071 1.236) 3.163 24.366 ( 1.120 -1.809 1.374) 2.533 24.383 ( 1.471 -2.261 0.358) 2.721 25.068 ( -21.939 12.646 25.562) 35.981 25.502 ( -14.358 7.805 -5.620) 17.282 ======================= Grid point 80 (32/93) ======================= q-point: ( 0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 9.790 -9.738 9.652) 16.847 1.642 ( 15.780 -11.943 5.562) 20.557 1.850 ( 1.278 -4.837 -9.900) 11.092 2.104 ( 4.796 -3.978 -15.986) 17.158 2.280 ( -9.942 7.628 -1.312) 12.600 2.609 ( -6.723 2.238 -0.234) 7.090 2.718 ( -0.037 1.417 5.725) 5.898 2.816 ( -0.402 6.006 -1.056) 6.111 2.945 ( 1.239 4.635 3.101) 5.713 2.997 ( 5.376 1.577 10.915) 12.269 3.105 ( -1.358 2.516 1.286) 3.135 3.185 ( -0.891 0.053 3.426) 3.540 3.217 ( 0.690 -0.704 5.049) 5.144 3.259 ( 0.474 3.307 -0.702) 3.413 3.328 ( -5.554 1.573 2.503) 6.291 3.438 ( -5.256 -0.678 -3.783) 6.512 3.497 ( 0.572 4.657 3.875) 6.085 3.548 ( -5.162 -2.702 -2.320) 6.272 3.760 ( -5.667 1.998 0.953) 6.084 3.912 ( 2.167 -3.486 -13.489) 14.100 4.006 ( 1.739 -8.117 -6.635) 10.627 4.023 ( -0.786 0.012 -6.916) 6.961 4.178 ( 0.322 2.651 -1.984) 3.327 4.356 ( 5.342 -2.145 0.636) 5.791 4.391 ( 2.622 -1.214 -1.327) 3.179 4.497 ( 2.584 -0.498 -2.837) 3.869 4.601 ( 1.152 -3.538 -1.603) 4.051 4.700 ( 8.449 0.392 2.149) 8.727 4.733 ( -0.076 3.753 -0.658) 3.811 4.824 ( 3.605 -3.374 0.808) 5.003 4.890 ( -1.153 -1.826 9.196) 9.447 5.203 ( -6.050 7.255 5.356) 10.859 5.237 ( -8.005 5.883 3.161) 10.426 5.377 ( -1.071 1.644 1.876) 2.714 5.477 ( -5.492 5.619 -1.193) 7.947 5.650 ( -2.953 0.108 -0.424) 2.985 5.750 ( -2.741 -5.595 -2.207) 6.609 5.766 ( -2.139 1.711 -3.179) 4.196 5.844 ( 1.663 0.847 4.558) 4.926 6.034 ( 1.916 -1.462 -0.213) 2.419 7.107 ( -9.566 6.638 -0.533) 11.656 7.292 ( -5.600 4.988 -0.538) 7.518 7.417 ( 1.214 -0.423 0.489) 1.376 7.652 ( 8.209 -5.556 0.056) 9.913 7.818 ( 4.925 -1.747 2.072) 5.621 8.077 ( 1.522 -5.661 -3.253) 6.704 8.119 ( 3.410 -0.201 -1.071) 3.580 8.442 ( 1.735 -1.447 1.645) 2.795 8.467 ( -0.212 1.187 2.679) 2.938 8.500 ( -4.235 4.593 -0.867) 6.307 8.576 ( -4.602 2.140 0.635) 5.115 8.671 ( 2.894 -2.480 1.909) 4.263 8.699 ( 1.105 -2.430 -2.668) 3.774 8.766 ( 1.798 -5.074 -0.423) 5.400 9.046 ( 3.360 0.198 -3.091) 4.570 9.453 ( -1.052 2.512 2.890) 3.971 9.469 ( -1.836 0.519 3.079) 3.623 9.650 ( -5.391 0.540 2.344) 5.903 9.902 ( 6.570 -2.649 -2.319) 7.454 10.319 ( 1.555 -8.141 -6.255) 10.384 10.341 ( 1.192 1.316 -1.215) 2.152 10.747 ( 5.650 0.289 -17.366) 18.264 11.015 ( -0.506 2.136 2.722) 3.497 11.193 ( -2.383 3.404 3.813) 5.640 11.996 ( -6.409 2.962 13.902) 15.592 12.505 ( 1.190 -4.064 -2.204) 4.774 13.300 ( 0.465 -0.586 0.424) 0.860 13.353 ( 1.119 -0.741 -0.707) 1.517 14.215 ( 1.662 -0.561 0.539) 1.835 14.369 ( 0.864 -1.140 -0.670) 1.580 14.501 ( 3.495 -3.047 0.873) 4.719 14.624 ( 1.048 0.540 -3.888) 4.063 20.873 ( 1.124 2.884 5.693) 6.480 21.013 ( -2.067 -0.965 -0.196) 2.290 21.331 ( 5.318 0.090 -4.742) 7.126 21.532 ( 2.635 -4.376 -6.161) 8.004 21.574 ( -0.105 -0.022 0.014) 0.108 21.633 ( 2.948 -6.478 -7.814) 10.570 23.260 ( -2.697 -0.047 1.263) 2.978 23.456 ( 0.313 -0.134 0.189) 0.390 23.740 ( -1.693 2.508 2.439) 3.886 23.977 ( 1.811 -2.877 -0.429) 3.426 24.085 ( -0.746 -0.824 -4.210) 4.355 24.201 ( 5.239 1.429 0.261) 5.436 24.299 ( 1.986 1.274 -1.946) 3.058 24.400 ( 1.985 -0.954 3.946) 4.519 24.407 ( -0.751 -1.661 1.940) 2.662 24.449 ( 1.911 -3.615 0.213) 4.094 24.784 ( -12.509 9.928 19.676) 25.341 25.163 ( -13.470 10.390 -9.079) 19.282 ======================= Grid point 81 (33/93) ======================= q-point: ( 0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 6.973 -9.381 0.767) 11.714 1.961 ( 2.789 -2.668 2.843) 4.793 2.032 ( 1.273 -8.324 6.137) 10.420 2.110 ( 7.437 -2.317 1.456) 7.925 2.193 ( 3.850 -6.829 -11.938) 14.282 2.510 ( -4.637 0.638 -2.343) 5.234 2.597 ( -3.326 13.048 -1.426) 13.540 2.668 ( -1.955 3.054 -3.419) 4.983 2.866 ( 1.781 6.683 1.382) 7.053 3.017 ( -1.684 0.739 1.521) 2.387 3.051 ( 0.602 2.711 3.226) 4.257 3.136 ( -1.212 2.453 -2.840) 3.943 3.205 ( -2.935 0.711 -0.690) 3.097 3.232 ( 0.300 1.906 3.367) 3.881 3.282 ( -1.929 2.948 3.056) 4.664 3.394 ( -7.451 -3.361 -2.001) 8.415 3.469 ( -1.188 0.021 3.815) 3.996 3.589 ( -5.422 -2.729 0.414) 6.084 3.765 ( 4.129 1.475 7.560) 8.740 3.866 ( -3.457 0.925 -9.815) 10.446 3.998 ( 1.294 -0.944 -9.888) 10.017 4.034 ( 4.107 3.690 -1.521) 5.727 4.191 ( 5.070 -6.643 -7.561) 11.270 4.380 ( 0.666 -0.060 -2.944) 3.020 4.488 ( 1.982 -1.720 -0.625) 2.698 4.560 ( 3.334 -2.320 3.018) 5.060 4.663 ( 2.115 2.171 4.643) 5.544 4.685 ( -0.404 -2.323 3.034) 3.842 4.741 ( 4.456 3.171 -0.531) 5.495 4.910 ( -3.502 -0.815 4.578) 5.821 4.927 ( 0.347 0.077 1.710) 1.746 5.027 ( -4.591 -0.479 -2.525) 5.261 5.149 ( 1.306 2.975 1.566) 3.607 5.354 ( 1.380 4.493 -2.454) 5.302 5.402 ( -4.241 -1.230 8.559) 9.631 5.618 ( -3.063 -0.821 -1.176) 3.382 5.713 ( 1.240 1.696 -0.581) 2.180 5.812 ( -4.833 -4.943 -1.367) 7.047 5.857 ( 0.694 0.750 4.007) 4.135 6.069 ( 1.146 -0.584 -0.644) 1.439 6.939 ( -6.704 2.305 0.394) 7.100 7.183 ( -1.706 2.124 -1.347) 3.040 7.442 ( 0.539 -0.735 0.863) 1.255 7.801 ( 6.105 -2.028 0.689) 6.470 7.911 ( 6.210 -1.106 2.501) 6.785 8.148 ( -0.675 -2.782 -2.612) 3.875 8.151 ( 2.616 -0.539 -1.967) 3.317 8.329 ( -5.400 3.410 -0.814) 6.438 8.417 ( -0.129 2.584 0.825) 2.715 8.518 ( 1.208 -1.442 1.505) 2.409 8.582 ( -0.688 -2.349 1.297) 2.770 8.692 ( -0.901 1.337 -0.225) 1.628 8.723 ( 1.027 -0.794 -4.901) 5.070 8.829 ( -0.320 -0.652 0.477) 0.869 9.080 ( 2.117 -1.769 -2.188) 3.521 9.380 ( -4.555 2.066 1.325) 5.174 9.436 ( -0.256 1.054 -0.628) 1.253 9.627 ( -2.551 0.200 8.015) 8.414 9.991 ( 2.306 -1.486 -0.369) 2.768 10.336 ( -0.265 -1.370 -5.957) 6.118 10.412 ( 0.292 -3.151 4.859) 5.798 10.726 ( 5.100 0.437 -14.722) 15.587 11.022 ( 4.391 -0.244 -7.233) 8.465 11.140 ( -1.512 2.055 5.060) 5.667 11.936 ( -6.974 2.652 15.027) 16.778 12.560 ( 0.966 -2.124 -2.829) 3.668 13.315 ( 0.260 -0.312 0.487) 0.634 13.370 ( 0.831 -0.273 -0.720) 1.133 14.240 ( 0.912 -0.351 1.349) 1.666 14.370 ( -0.547 0.619 -1.518) 1.728 14.588 ( -0.142 1.619 -2.796) 3.233 14.598 ( 2.527 -3.229 1.702) 4.440 20.884 ( 2.494 1.231 8.106) 8.570 21.006 ( -3.440 -1.136 0.682) 3.686 21.317 ( 3.008 3.099 -7.975) 9.070 21.565 ( 0.495 -0.473 -0.048) 0.687 21.574 ( -0.081 -0.036 0.110) 0.141 21.810 ( 5.628 -11.583 -11.310) 17.139 23.248 ( -1.887 -0.636 1.620) 2.567 23.457 ( -1.044 -0.188 0.918) 1.403 23.700 ( -1.150 2.176 6.274) 6.740 24.033 ( 1.708 -1.550 -0.857) 2.461 24.070 ( -0.461 -0.005 -4.042) 4.068 24.207 ( 4.129 3.461 0.382) 5.401 24.284 ( 1.854 1.873 -1.670) 3.120 24.402 ( -3.314 2.697 9.876) 10.761 24.431 ( 0.042 -0.478 -0.292) 0.562 24.511 ( -1.012 -0.637 -0.895) 1.494 24.646 ( -5.388 3.106 6.645) 9.101 24.895 ( -5.301 1.063 -7.340) 9.116 ======================= Grid point 82 (34/93) ======================= q-point: (-0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( -4.905 15.652 3.973) 16.877 2.028 ( 1.059 4.817 -4.921) 6.968 2.167 ( 1.674 1.511 -8.618) 8.908 2.300 ( 1.863 -8.634 0.535) 8.849 2.353 ( 2.901 3.702 10.479) 11.486 2.390 ( 2.107 -8.883 -6.930) 11.462 2.524 ( 1.065 -7.418 5.133) 9.083 2.600 ( 0.122 1.757 -7.863) 8.058 2.831 ( 4.961 2.236 1.951) 5.781 2.966 ( 1.419 1.537 -7.154) 7.454 3.064 ( -0.452 -0.269 -1.391) 1.487 3.084 ( -5.765 0.045 2.922) 6.463 3.172 ( -3.579 1.432 3.348) 5.106 3.194 ( -0.622 1.750 -1.153) 2.186 3.239 ( 1.297 -1.062 2.495) 3.006 3.398 ( -0.049 0.422 6.185) 6.200 3.477 ( -1.462 0.105 3.141) 3.466 3.537 ( -9.895 -0.423 1.838) 10.073 3.654 ( -2.445 -2.270 -1.341) 3.596 3.882 ( 3.067 0.264 -5.323) 6.149 3.994 ( 7.154 3.931 -8.334) 11.666 4.167 ( 6.052 -8.907 3.074) 11.199 4.289 ( 2.161 -1.632 -9.027) 9.424 4.381 ( 1.793 -3.557 -7.461) 8.458 4.475 ( -2.395 2.291 -0.429) 3.342 4.556 ( -0.768 5.232 5.367) 7.534 4.643 ( -3.730 2.584 4.471) 6.370 4.673 ( -0.917 6.023 -0.321) 6.101 4.750 ( 1.056 0.012 4.077) 4.211 4.865 ( -0.168 -2.674 -0.754) 2.784 4.962 ( 0.034 -2.750 3.233) 4.245 5.074 ( 0.710 -1.655 -3.376) 3.826 5.157 ( 3.216 -1.838 -0.990) 3.834 5.333 ( 3.984 1.058 3.494) 5.403 5.381 ( -6.420 0.985 7.135) 9.648 5.613 ( -0.786 -2.092 -4.660) 5.168 5.730 ( 1.274 -0.444 4.462) 4.662 5.796 ( -4.571 -0.054 0.349) 4.585 5.872 ( -0.276 -0.314 2.893) 2.923 6.063 ( -0.386 1.356 -1.025) 1.743 6.922 ( -2.013 -5.107 1.477) 5.684 7.193 ( 1.773 -3.753 -1.526) 4.423 7.448 ( -0.332 0.560 0.539) 0.846 7.822 ( 2.469 4.667 -0.280) 5.287 7.963 ( 2.227 2.673 2.596) 4.341 8.109 ( -1.335 2.395 -1.515) 3.133 8.187 ( 2.769 -1.547 -3.371) 4.629 8.323 ( -0.193 -4.489 -0.092) 4.494 8.425 ( 2.696 -1.562 2.748) 4.154 8.532 ( -2.408 -1.014 -2.752) 3.795 8.594 ( 1.479 3.526 0.532) 3.860 8.641 ( -3.412 -0.486 -0.477) 3.480 8.707 ( 0.264 1.809 -3.392) 3.854 8.789 ( -1.739 3.338 0.023) 3.763 9.100 ( 0.124 0.824 -0.594) 1.023 9.341 ( -1.450 -0.887 -0.282) 1.723 9.455 ( 0.781 -3.141 0.097) 3.238 9.639 ( -2.198 -0.592 8.047) 8.363 9.987 ( -0.558 3.113 1.766) 3.622 10.323 ( -1.823 -1.963 -9.742) 10.104 10.503 ( 2.007 -2.858 11.335) 11.861 10.736 ( 5.850 -1.814 -14.922) 16.130 11.007 ( 3.602 2.165 -13.735) 14.363 11.142 ( -1.147 -1.230 4.553) 4.854 11.889 ( -6.598 2.226 18.254) 19.537 12.573 ( 0.684 0.383 -2.891) 2.995 13.317 ( -0.136 0.416 0.536) 0.692 13.370 ( 0.381 0.613 -0.755) 1.045 14.257 ( 0.220 -0.236 1.726) 1.756 14.333 ( -0.703 1.975 -1.140) 2.386 14.524 ( -1.222 3.467 -1.041) 3.821 14.696 ( 2.134 -4.556 -1.231) 5.179 20.934 ( 2.998 0.520 8.994) 9.495 20.988 ( -4.452 -1.279 0.180) 4.635 21.242 ( 2.130 4.776 -6.591) 8.414 21.572 ( 0.106 -0.038 -0.031) 0.117 21.577 ( 0.064 -0.306 0.168) 0.355 22.007 ( 4.765 -10.489 -18.437) 21.741 23.260 ( -0.783 -1.407 2.250) 2.766 23.451 ( -1.708 -0.134 1.458) 2.250 23.707 ( -0.132 0.301 14.272) 14.276 24.029 ( -1.491 0.385 -5.221) 5.444 24.065 ( 1.265 0.599 -0.513) 1.491 24.165 ( 2.857 5.359 -0.121) 6.074 24.268 ( 2.293 1.665 -0.214) 2.842 24.324 ( -3.809 4.960 6.682) 9.152 24.420 ( -1.507 1.459 0.561) 2.171 24.454 ( -2.982 1.814 -2.200) 4.126 24.569 ( -2.862 0.898 2.276) 3.765 25.012 ( 3.486 -12.904 -3.295) 13.767 ======================= Grid point 83 (35/93) ======================= q-point: (-0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -2.388 19.781 8.190) 21.542 1.601 ( -4.040 28.314 -8.379) 29.803 2.202 ( 2.064 -3.690 -15.829) 16.384 2.308 ( -2.181 13.460 14.032) 19.566 2.423 ( -3.393 -6.938 -0.992) 7.787 2.468 ( 0.146 -1.931 -8.375) 8.596 2.536 ( 5.848 1.177 -5.100) 7.848 2.792 ( 0.470 -3.393 7.881) 8.593 2.852 ( 2.846 -6.991 -0.323) 7.555 2.937 ( 2.926 -0.651 4.619) 5.506 3.009 ( -0.552 -1.373 -5.640) 5.831 3.110 ( -3.776 -4.035 2.783) 6.188 3.184 ( -1.585 -3.996 4.627) 6.316 3.255 ( 0.852 -5.466 -1.038) 5.629 3.305 ( 4.997 -1.616 1.298) 5.410 3.424 ( -1.151 -2.943 1.770) 3.622 3.462 ( -3.430 -0.534 4.143) 5.405 3.542 ( -3.885 -6.391 2.973) 8.048 3.757 ( 1.368 -7.586 0.134) 7.709 3.897 ( 3.935 -0.558 -5.516) 6.799 3.989 ( 5.935 0.095 -5.041) 7.788 4.221 ( -0.661 3.192 -8.982) 9.555 4.294 ( -1.709 8.254 -0.098) 8.430 4.375 ( 3.955 -2.978 -0.932) 5.038 4.437 ( -6.374 3.096 -0.185) 7.089 4.485 ( 0.761 -0.219 0.176) 0.811 4.557 ( 2.926 4.309 -4.931) 7.172 4.621 ( -1.383 -1.019 1.660) 2.389 4.743 ( -0.757 -0.367 1.062) 1.355 4.917 ( -0.778 3.794 -2.641) 4.688 4.961 ( -3.149 -2.768 -2.037) 4.661 5.115 ( 1.647 -2.274 4.949) 5.690 5.252 ( -2.253 6.932 9.332) 11.841 5.272 ( 1.870 -7.151 2.570) 7.825 5.458 ( 2.623 -5.932 4.514) 7.902 5.633 ( -2.154 -3.784 -5.171) 6.760 5.722 ( -1.443 0.469 -4.406) 4.660 5.796 ( 1.465 0.612 7.102) 7.277 5.885 ( -0.364 -0.005 4.032) 4.048 6.021 ( -0.915 1.504 -1.244) 2.156 7.065 ( 1.355 -9.820 2.402) 10.200 7.310 ( 1.835 -7.312 -1.160) 7.627 7.427 ( -0.504 0.882 -0.544) 1.152 7.706 ( -0.309 8.259 -3.055) 8.811 7.888 ( -3.546 4.599 1.988) 6.138 8.082 ( 3.057 2.452 1.699) 4.272 8.201 ( 0.086 0.855 -5.253) 5.323 8.409 ( 3.008 -1.875 -0.023) 3.545 8.455 ( 0.180 3.936 0.261) 3.949 8.525 ( 2.982 -1.362 0.104) 3.280 8.582 ( -1.554 7.622 1.470) 7.917 8.585 ( -1.987 -4.819 -3.131) 6.081 8.656 ( -1.934 -1.908 -2.071) 3.416 8.733 ( -0.275 1.453 0.626) 1.606 9.062 ( 0.828 3.845 1.932) 4.382 9.338 ( -2.372 -0.070 -1.757) 2.952 9.525 ( -0.439 -1.384 5.730) 5.911 9.685 ( -0.516 -4.776 2.724) 5.523 9.906 ( -1.635 4.721 2.346) 5.519 10.299 ( -0.449 -1.079 -10.399) 10.465 10.632 ( 4.404 -2.564 5.709) 7.652 10.771 ( 4.934 -1.951 -13.043) 14.081 10.920 ( 0.467 2.254 -16.043) 16.207 11.182 ( -1.810 -3.367 3.401) 5.116 11.884 ( -4.903 0.417 22.408) 22.942 12.539 ( 0.474 2.878 -2.383) 3.766 13.304 ( -0.319 0.928 0.537) 1.119 13.353 ( 0.181 1.109 -0.788) 1.373 14.244 ( -2.344 1.190 -1.107) 2.852 14.305 ( 2.112 1.921 3.200) 4.288 14.441 ( -1.441 3.812 -1.455) 4.327 14.772 ( 0.820 -3.361 -5.367) 6.385 20.946 ( -4.073 0.412 4.160) 5.837 21.002 ( 0.439 -1.717 1.993) 2.666 21.162 ( 3.625 4.967 -3.191) 6.928 21.574 ( 0.020 -0.135 0.107) 0.174 21.583 ( 0.038 -0.200 -0.015) 0.204 22.070 ( 1.570 -3.145 -32.428) 32.618 23.292 ( -0.245 -1.524 2.820) 3.214 23.439 ( -1.179 0.290 0.742) 1.423 23.813 ( 0.565 -3.638 20.013) 20.349 23.982 ( 0.255 1.653 -2.005) 2.611 24.038 ( -1.609 1.042 -4.452) 4.847 24.105 ( 2.904 4.330 0.758) 5.268 24.250 ( -1.810 1.571 3.876) 4.557 24.284 ( 2.056 0.627 7.792) 8.083 24.361 ( -2.112 2.202 0.206) 3.058 24.413 ( -1.404 1.335 0.568) 2.019 24.564 ( -0.508 -0.939 3.942) 4.084 25.289 ( 3.198 -15.778 -3.490) 16.472 ======================= Grid point 84 (36/93) ======================= q-point: (-0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 2.324 23.716 7.699) 25.042 1.073 ( -1.155 22.702 10.779) 25.158 1.960 ( 0.153 29.470 31.600) 43.209 2.194 ( 2.503 -0.936 -19.717) 19.898 2.343 ( -1.393 1.558 -18.520) 18.638 2.603 ( -0.627 -9.118 2.444) 9.461 2.661 ( 3.795 -7.917 1.306) 8.876 2.840 ( -0.427 -4.212 -4.466) 6.154 2.954 ( -3.127 -1.353 -2.299) 4.110 2.999 ( 1.524 -3.342 2.907) 4.685 3.085 ( 1.597 -4.667 -1.628) 5.195 3.156 ( -2.290 -3.876 1.465) 4.734 3.265 ( -3.181 -5.510 3.293) 7.163 3.310 ( -0.772 -1.511 -1.038) 1.989 3.400 ( 2.354 -0.325 2.001) 3.106 3.432 ( -1.172 -2.797 3.707) 4.790 3.502 ( -3.077 -5.636 -2.802) 7.006 3.664 ( 2.910 -4.021 3.260) 5.938 3.858 ( 0.220 0.018 -1.911) 1.923 3.959 ( 2.253 -5.070 -3.642) 6.636 4.048 ( 1.822 -0.854 -0.931) 2.217 4.118 ( -0.107 3.412 -10.820) 11.346 4.161 ( 2.480 -0.616 1.652) 3.043 4.320 ( -1.516 3.002 -1.456) 3.665 4.366 ( -1.248 4.772 -5.644) 7.496 4.511 ( 2.851 1.423 0.073) 3.187 4.553 ( 1.409 0.608 -3.210) 3.558 4.612 ( 1.345 -0.125 1.946) 2.369 4.706 ( -2.273 3.100 -7.887) 8.774 4.795 ( -3.179 4.179 -5.478) 7.588 4.916 ( -2.855 5.294 2.862) 6.661 5.131 ( 1.483 3.782 6.584) 7.736 5.289 ( -2.959 -11.401 11.500) 16.461 5.527 ( 1.643 -14.594 13.507) 19.952 5.612 ( 1.555 -7.779 3.579) 8.702 5.656 ( -4.091 -5.626 -2.075) 7.260 5.697 ( 0.249 0.735 -1.875) 2.030 5.811 ( 4.907 3.362 3.283) 6.794 5.879 ( -1.473 1.746 2.723) 3.554 6.013 ( -0.842 -2.457 -1.622) 3.062 7.251 ( 1.943 -6.712 2.234) 7.336 7.424 ( 0.524 -4.568 -0.451) 4.620 7.447 ( -1.826 -5.080 -0.806) 5.458 7.550 ( -1.230 5.437 -3.919) 6.814 7.778 ( -3.223 4.580 0.684) 5.642 8.085 ( 3.673 2.998 3.390) 5.828 8.108 ( -1.496 4.518 -7.629) 8.992 8.345 ( -2.138 6.802 -2.158) 7.449 8.415 ( 0.589 8.333 6.440) 10.548 8.493 ( 4.518 -0.971 -1.646) 4.906 8.520 ( 1.818 2.447 -3.885) 4.938 8.636 ( -0.654 0.959 -0.965) 1.510 8.706 ( -1.158 -6.268 1.090) 6.467 8.769 ( 0.191 -4.549 -1.214) 4.712 9.006 ( 2.382 5.454 3.000) 6.665 9.273 ( -2.219 3.088 -0.166) 3.806 9.495 ( -2.969 5.712 5.498) 8.466 9.801 ( -0.095 -6.886 -0.794) 6.933 9.855 ( -1.732 -0.528 0.959) 2.049 10.246 ( 3.217 5.902 -12.792) 14.451 10.543 ( 3.579 10.177 -24.922) 27.157 10.865 ( 1.058 -4.376 -1.977) 4.917 10.896 ( 0.798 -4.871 0.110) 4.937 11.250 ( -2.222 -5.167 3.277) 6.509 11.965 ( -4.077 -4.815 23.672) 24.498 12.471 ( 0.734 4.500 -1.456) 4.786 13.287 ( -0.189 0.812 0.569) 1.009 13.334 ( 0.307 0.964 -0.780) 1.278 14.187 ( -1.769 1.925 -0.976) 2.791 14.313 ( 3.165 2.167 3.681) 5.316 14.360 ( -0.762 3.364 -1.717) 3.853 14.752 ( -0.736 2.899 -12.632) 12.981 20.910 ( -4.352 -0.055 1.988) 4.785 21.018 ( -1.108 -0.561 -1.534) 1.974 21.138 ( 5.847 3.188 1.847) 6.911 21.577 ( -0.057 -0.186 0.115) 0.226 21.584 ( -0.106 -0.051 -0.155) 0.194 21.859 ( -0.896 11.615 -39.981) 41.644 23.319 ( -0.949 -0.659 2.809) 3.038 23.427 ( 0.161 0.459 -0.244) 0.544 23.860 ( -2.564 0.838 0.402) 2.727 23.980 ( -0.489 1.355 -3.699) 3.969 24.044 ( 3.533 -1.561 4.788) 6.152 24.073 ( 1.849 2.678 1.180) 3.462 24.250 ( 0.290 -0.230 2.385) 2.413 24.314 ( -0.354 1.629 -0.348) 1.703 24.351 ( -0.463 -0.362 7.519) 7.542 24.379 ( -0.032 1.516 2.370) 2.814 24.730 ( -0.266 -17.455 28.402) 33.338 25.560 ( 0.034 -14.355 -2.993) 14.664 ======================= Grid point 87 (37/93) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 19.627 0.000 13.212) 23.660 1.486 ( 13.281 0.000 18.703) 22.939 1.841 ( -4.397 -0.000 -28.028) 28.370 1.979 ( 2.947 0.000 -21.359) 21.562 2.476 ( -14.085 -0.000 -0.068) 14.086 2.629 ( -0.416 -0.000 6.643) 6.656 2.771 ( 18.723 0.000 32.858) 37.818 2.843 ( 1.245 0.000 6.938) 7.048 2.878 ( -3.075 -0.000 -3.394) 4.580 3.130 ( -8.235 -0.000 3.406) 8.911 3.148 ( 1.671 0.000 1.469) 2.225 3.202 ( -6.343 -0.000 0.821) 6.396 3.270 ( 1.615 0.000 -2.957) 3.370 3.326 ( 3.609 0.000 1.825) 4.044 3.353 ( -11.010 -0.000 1.001) 11.055 3.434 ( -0.241 -0.000 -12.768) 12.770 3.497 ( -1.677 -0.000 -4.434) 4.741 3.653 ( -7.370 -0.000 2.904) 7.922 3.696 ( 0.180 0.000 6.257) 6.259 3.823 ( 8.987 0.000 -12.049) 15.031 3.914 ( -7.666 -0.000 -2.758) 8.147 3.958 ( -8.622 -0.000 0.802) 8.659 4.201 ( 7.836 0.000 -0.582) 7.858 4.281 ( 8.040 0.000 -5.412) 9.691 4.422 ( 2.733 0.000 -4.319) 5.111 4.484 ( 3.219 0.000 -5.694) 6.541 4.608 ( 0.071 0.000 0.880) 0.883 4.624 ( 0.376 0.000 0.007) 0.376 4.709 ( 3.112 0.000 1.565) 3.483 4.836 ( 4.354 0.000 -2.216) 4.885 4.878 ( 5.164 0.000 4.210) 6.663 5.311 ( 3.944 0.000 3.077) 5.003 5.321 ( -13.602 -0.000 4.844) 14.439 5.485 ( -16.209 -0.000 -0.282) 16.211 5.612 ( -10.102 -0.000 0.040) 10.102 5.650 ( -1.634 -0.000 1.772) 2.411 5.660 ( -9.682 -0.000 2.662) 10.041 5.849 ( 0.744 0.000 4.987) 5.042 5.899 ( 0.650 0.000 -4.396) 4.444 5.972 ( 2.958 0.000 -3.141) 4.315 7.266 ( -8.527 -0.000 -2.369) 8.850 7.380 ( -11.422 -0.000 1.521) 11.523 7.431 ( 4.646 0.000 -0.950) 4.742 7.502 ( 2.137 0.000 1.914) 2.869 7.862 ( 4.503 0.000 0.656) 4.550 7.864 ( 7.674 0.000 -2.903) 8.205 8.227 ( 3.591 0.000 0.824) 3.684 8.292 ( 3.310 0.000 1.747) 3.743 8.457 ( 1.462 0.000 3.412) 3.712 8.534 ( 1.482 0.000 3.973) 4.240 8.581 ( 2.811 0.000 -3.150) 4.222 8.635 ( -3.133 -0.000 0.761) 3.224 8.704 ( 4.056 0.000 -3.778) 5.543 8.711 ( -6.095 -0.000 2.288) 6.510 9.089 ( 2.840 0.000 -1.423) 3.177 9.361 ( 11.005 0.000 1.231) 11.074 9.587 ( -7.455 -0.000 4.014) 8.467 9.605 ( -2.254 -0.000 -6.559) 6.935 9.972 ( 5.947 0.000 -4.535) 7.479 10.025 ( 7.197 0.000 -5.111) 8.827 10.396 ( 0.973 0.000 4.123) 4.237 10.734 ( 6.383 0.000 -20.187) 21.172 11.097 ( -5.845 -0.000 8.160) 10.038 11.247 ( -4.487 -0.000 2.120) 4.962 12.084 ( -5.516 -0.000 12.342) 13.518 12.387 ( 1.169 0.000 -2.282) 2.565 13.289 ( 0.517 0.000 0.464) 0.695 13.337 ( 1.225 0.000 -0.712) 1.417 14.209 ( 2.173 0.000 0.268) 2.189 14.310 ( 2.867 0.000 -1.150) 3.089 14.475 ( 4.562 0.000 1.828) 4.914 14.606 ( 4.115 0.000 -5.566) 6.922 20.954 ( -1.355 -0.000 4.286) 4.495 21.031 ( -1.193 -0.000 -3.280) 3.490 21.287 ( 9.603 0.000 -18.564) 20.901 21.343 ( 7.299 0.000 5.690) 9.255 21.575 ( -0.152 -0.000 -0.162) 0.222 21.587 ( -0.095 -0.000 0.173) 0.197 23.260 ( -3.502 -0.000 1.727) 3.905 23.460 ( 2.405 0.000 -2.404) 3.400 23.823 ( -0.925 -0.000 4.162) 4.263 23.874 ( 0.681 0.000 -1.787) 1.913 24.057 ( -0.912 -0.000 -5.928) 5.998 24.230 ( 7.559 0.000 1.086) 7.636 24.335 ( 0.705 0.000 -0.624) 0.941 24.350 ( 1.163 0.000 1.285) 1.733 24.373 ( 2.504 0.000 1.290) 2.817 24.384 ( 2.775 0.000 0.416) 2.806 25.032 ( -22.883 -0.000 22.390) 32.014 25.377 ( -18.261 -0.000 -7.878) 19.888 ======================= Grid point 88 (38/93) ======================= q-point: ( 0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 16.830 -4.156 6.709) 18.589 1.703 ( 12.493 -0.663 2.078) 12.682 1.719 ( 2.252 -6.012 -8.596) 10.729 2.007 ( 4.690 -5.677 -15.257) 16.942 2.283 ( -11.848 5.155 -0.046) 12.922 2.601 ( -3.697 3.157 5.051) 7.010 2.807 ( -1.851 4.008 -3.361) 5.549 2.864 ( -0.784 1.416 4.747) 5.016 3.027 ( -0.926 0.872 7.573) 7.679 3.076 ( -2.156 -0.139 8.265) 8.543 3.145 ( -1.252 0.830 -1.068) 1.843 3.160 ( -1.004 -0.355 6.465) 6.552 3.238 ( -7.557 0.216 -1.369) 7.683 3.274 ( 0.943 0.577 0.501) 1.213 3.307 ( -2.079 3.476 -3.416) 5.299 3.367 ( -2.756 1.642 2.245) 3.915 3.478 ( 0.062 -1.141 -2.072) 2.366 3.608 ( -1.976 1.683 5.848) 6.398 3.744 ( -3.260 2.109 7.775) 8.690 3.806 ( -5.059 -2.640 -6.574) 8.705 3.859 ( 5.159 -4.748 -8.287) 10.855 3.996 ( 3.503 -4.288 -3.781) 6.705 4.247 ( 3.531 4.882 -4.154) 7.319 4.374 ( 6.696 -2.513 -4.097) 8.242 4.412 ( 7.140 -0.414 -1.767) 7.367 4.516 ( -2.869 -2.571 -3.568) 5.251 4.556 ( 4.783 0.865 -0.660) 4.905 4.697 ( -0.366 -2.769 1.692) 3.266 4.779 ( 3.239 -3.748 0.537) 4.982 4.857 ( 6.234 2.803 -0.943) 6.900 4.930 ( -0.901 0.582 7.325) 7.404 5.199 ( -9.149 -0.002 3.431) 9.771 5.255 ( -15.106 5.905 1.767) 16.316 5.369 ( -0.947 -0.157 0.976) 1.369 5.507 ( -3.566 3.202 -2.147) 5.251 5.583 ( -2.768 0.217 -2.320) 3.618 5.656 ( -3.143 -1.994 2.087) 4.268 5.806 ( 0.138 3.793 -3.359) 5.068 5.912 ( 3.943 1.098 2.722) 4.915 6.011 ( 1.246 -2.235 -2.705) 3.724 7.116 ( -9.077 5.476 -0.816) 10.632 7.271 ( -8.746 1.008 -0.075) 8.804 7.448 ( 2.624 1.569 1.228) 3.294 7.616 ( 5.805 -6.642 0.559) 8.839 7.883 ( 6.818 0.767 1.486) 7.020 7.996 ( 3.971 -4.777 -2.044) 6.540 8.197 ( 4.347 3.626 0.691) 5.703 8.402 ( -0.466 -5.013 1.783) 5.341 8.459 ( -3.433 -0.221 0.220) 3.447 8.486 ( -6.692 2.359 -0.802) 7.141 8.609 ( -0.897 1.480 1.408) 2.231 8.643 ( 2.093 -1.374 -1.650) 2.998 8.676 ( 1.734 -0.972 3.640) 4.148 8.741 ( 2.915 -1.470 -2.392) 4.047 9.098 ( 4.072 1.832 -1.338) 4.661 9.466 ( -3.059 1.365 2.817) 4.376 9.492 ( -0.640 1.219 1.517) 2.049 9.577 ( -4.436 -2.446 -0.813) 5.130 9.965 ( 6.758 2.278 -2.475) 7.549 10.167 ( 3.452 -7.357 -6.390) 10.338 10.415 ( 2.096 1.840 7.398) 7.906 10.737 ( 7.728 -0.610 -19.448) 20.936 11.041 ( -4.258 1.791 3.173) 5.604 11.212 ( -3.086 0.954 2.498) 4.083 12.044 ( -5.190 3.257 11.431) 12.970 12.431 ( 1.020 -4.149 -2.506) 4.953 13.300 ( 0.637 -0.323 0.466) 0.853 13.351 ( 1.284 -0.471 -0.689) 1.532 14.232 ( 2.093 0.046 0.809) 2.244 14.350 ( 1.229 -1.686 -0.289) 2.107 14.521 ( 3.938 0.047 1.383) 4.174 14.622 ( 1.293 -0.375 -3.585) 3.829 20.958 ( -2.097 -0.700 3.884) 4.469 20.980 ( 0.938 3.652 1.698) 4.136 21.355 ( 6.095 -3.993 -17.877) 19.305 21.460 ( 7.562 -2.746 5.743) 9.884 21.572 ( -0.157 0.043 -0.068) 0.176 21.589 ( -0.158 -0.474 0.002) 0.499 23.233 ( -3.331 -0.222 1.808) 3.796 23.467 ( 1.757 0.557 -2.570) 3.162 23.790 ( -0.685 3.007 3.775) 4.874 23.929 ( 1.035 -3.879 -0.014) 4.015 24.035 ( -0.747 -1.304 -7.198) 7.353 24.294 ( 6.762 1.378 -0.003) 6.901 24.331 ( 1.784 0.873 -1.302) 2.375 24.377 ( -0.221 -1.309 0.323) 1.366 24.421 ( 3.906 -1.044 3.113) 5.103 24.425 ( 1.588 -1.379 1.482) 2.573 24.851 ( -17.194 5.758 18.888) 26.183 25.105 ( -17.638 5.305 -10.958) 21.432 ======================= Grid point 89 (39/93) ======================= q-point: ( 0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 10.833 -5.887 -2.945) 12.676 1.886 ( 3.696 -9.538 1.765) 10.380 1.981 ( 10.476 -6.739 4.967) 13.410 2.070 ( -4.029 -0.580 -0.722) 4.134 2.159 ( 3.537 -1.929 -2.868) 4.945 2.499 ( -3.714 4.550 3.067) 6.626 2.712 ( 0.408 5.559 -1.788) 5.854 2.783 ( -0.785 6.092 -1.885) 6.425 2.952 ( -7.075 3.891 -1.762) 8.264 3.032 ( -2.751 2.248 -2.429) 4.304 3.078 ( -4.712 1.220 1.126) 4.996 3.152 ( -1.377 0.836 1.152) 1.980 3.170 ( -8.215 -0.064 -3.191) 8.814 3.197 ( -2.540 1.227 -3.033) 4.142 3.285 ( -1.024 0.760 4.372) 4.554 3.363 ( 0.762 -0.236 6.503) 6.551 3.447 ( -5.072 0.667 -2.489) 5.689 3.575 ( -0.235 6.747 2.316) 7.137 3.805 ( 8.213 -7.451 11.169) 15.739 3.815 ( -0.480 -1.757 -7.157) 7.385 3.998 ( 4.471 -1.964 -3.084) 5.776 4.090 ( 3.123 -1.596 -1.616) 3.862 4.135 ( 2.093 1.147 -6.006) 6.463 4.389 ( 0.149 2.200 -2.885) 3.631 4.498 ( 5.036 -1.852 -2.026) 5.736 4.569 ( 3.107 -2.081 -1.969) 4.226 4.633 ( 2.464 -2.580 3.391) 4.922 4.724 ( 1.526 -0.324 3.518) 3.849 4.847 ( 2.640 2.950 -0.460) 3.985 4.896 ( 0.085 -2.445 2.651) 3.607 4.906 ( -1.854 0.107 4.387) 4.764 4.987 ( -9.750 5.096 -2.648) 11.316 5.184 ( -1.375 -0.428 -1.014) 1.761 5.344 ( -6.522 0.123 5.652) 8.631 5.443 ( 2.178 2.688 -1.141) 3.643 5.549 ( -1.718 -0.535 -4.119) 4.495 5.688 ( -2.522 -4.111 0.871) 4.901 5.752 ( 0.535 1.777 -1.127) 2.171 5.916 ( 1.181 2.631 4.564) 5.399 6.057 ( 1.900 -2.195 -3.112) 4.255 6.935 ( -6.823 5.044 0.854) 8.528 7.177 ( -4.480 1.325 -1.585) 4.933 7.459 ( 1.748 0.509 2.411) 3.021 7.791 ( 5.196 -5.889 -0.854) 7.900 7.972 ( 7.557 -1.490 2.254) 8.026 8.086 ( 1.943 -3.247 -1.616) 4.115 8.198 ( 3.521 1.770 0.915) 4.046 8.319 ( -8.585 4.497 -1.255) 9.773 8.449 ( -1.799 -0.354 0.010) 1.833 8.460 ( -2.204 -2.354 0.009) 3.225 8.581 ( 0.499 0.675 3.532) 3.631 8.687 ( 0.946 -2.004 -3.975) 4.551 8.703 ( -0.257 0.509 0.202) 0.605 8.801 ( 1.761 -2.636 -0.964) 3.313 9.105 ( 4.315 1.488 -1.110) 4.697 9.377 ( -5.735 2.350 3.239) 6.994 9.442 ( -2.702 1.593 -2.004) 3.723 9.602 ( -2.464 -1.748 3.359) 4.518 10.011 ( 4.605 -0.438 0.499) 4.653 10.257 ( 0.133 -3.579 -5.886) 6.890 10.450 ( 2.806 0.658 10.401) 10.793 10.736 ( 6.269 0.836 -16.288) 17.473 11.013 ( 0.182 -1.202 -4.757) 4.909 11.166 ( -2.115 2.199 1.747) 3.516 11.979 ( -5.752 3.083 13.004) 14.549 12.505 ( 0.959 -3.954 -2.869) 4.978 13.314 ( 0.455 -0.389 0.533) 0.801 13.370 ( 1.025 -0.493 -0.678) 1.324 14.252 ( 1.272 0.107 1.121) 1.699 14.372 ( 0.049 -0.178 0.123) 0.222 14.570 ( 2.437 -1.440 -0.318) 2.848 14.612 ( -0.066 0.792 -1.295) 1.519 20.934 ( -3.060 -0.606 -2.057) 3.736 20.988 ( 1.744 1.782 12.107) 12.361 21.371 ( 4.425 0.916 -12.974) 13.739 21.568 ( 1.344 -0.104 0.507) 1.440 21.571 ( -0.042 -0.200 -0.166) 0.263 21.661 ( 5.605 -7.164 -1.030) 9.154 23.220 ( -2.660 -0.855 2.485) 3.739 23.458 ( 0.528 0.698 -1.772) 1.977 23.756 ( -0.675 2.272 6.567) 6.982 23.991 ( -0.066 -2.458 -4.463) 5.095 24.035 ( 0.308 -2.193 -4.304) 4.840 24.322 ( 5.145 2.423 0.447) 5.705 24.330 ( 2.833 1.425 -2.314) 3.926 24.391 ( -1.144 -1.031 1.233) 1.973 24.454 ( 0.077 -0.270 2.907) 2.920 24.492 ( 1.803 -0.156 1.343) 2.253 24.675 ( -10.845 4.844 12.248) 17.062 24.820 ( -10.772 3.159 -10.563) 15.414 ======================= Grid point 90 (40/93) ======================= q-point: (-0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -0.476 5.957 4.137) 7.268 2.004 ( 2.065 -3.187 3.160) 4.941 2.086 ( -0.927 -10.942 -2.827) 11.339 2.232 ( 3.782 -1.766 -0.315) 4.186 2.258 ( 4.751 -8.652 0.410) 9.879 2.451 ( -1.699 -0.708 3.571) 4.018 2.542 ( -2.287 11.516 0.305) 11.744 2.643 ( 4.289 6.643 -8.996) 11.978 2.927 ( 3.005 -2.460 -0.009) 3.884 2.943 ( -2.301 1.070 -5.031) 5.635 3.001 ( -4.789 0.686 -1.755) 5.146 3.086 ( -4.554 0.881 -3.429) 5.768 3.116 ( -4.240 -3.194 -3.330) 6.266 3.196 ( -0.169 0.149 4.407) 4.413 3.274 ( 2.573 2.801 1.442) 4.068 3.371 ( -5.145 -0.268 -1.477) 5.360 3.454 ( 1.447 -4.705 5.942) 7.716 3.494 ( -1.639 2.708 4.796) 5.747 3.733 ( -0.966 9.922 -1.725) 10.117 3.918 ( 0.545 1.234 -5.185) 5.358 4.064 ( 7.691 -2.969 8.456) 11.810 4.162 ( 7.853 -1.171 -0.770) 7.977 4.215 ( 3.400 -5.228 -7.432) 9.702 4.361 ( 1.085 0.825 -3.139) 3.422 4.482 ( -1.400 3.335 -3.340) 4.923 4.614 ( -1.403 -2.400 2.992) 4.084 4.671 ( -0.807 3.187 2.585) 4.182 4.729 ( -5.843 1.939 -4.017) 7.351 4.795 ( 1.670 0.875 -2.075) 2.804 4.801 ( -1.433 2.027 6.711) 7.155 4.949 ( 1.007 -1.903 4.822) 5.281 5.028 ( 2.547 -4.980 -1.262) 5.734 5.143 ( -1.549 1.392 -7.326) 7.617 5.310 ( -4.700 -1.394 4.548) 6.687 5.440 ( 2.742 2.006 5.169) 6.186 5.535 ( -2.267 -1.605 -5.066) 5.777 5.730 ( -0.655 -2.158 -3.077) 3.814 5.746 ( -2.051 -1.096 7.654) 7.999 5.904 ( 0.175 1.380 4.673) 4.876 6.079 ( 1.459 0.376 -3.378) 3.699 6.851 ( -2.590 -0.693 2.534) 3.689 7.142 ( -0.692 -1.557 -2.557) 3.072 7.474 ( 0.886 0.942 2.929) 3.202 7.878 ( 1.412 -0.487 -3.280) 3.604 8.055 ( 3.816 3.111 2.284) 5.428 8.146 ( 1.586 1.390 0.820) 2.263 8.169 ( 0.206 -1.885 -1.963) 2.729 8.235 ( -1.583 -2.569 0.868) 3.140 8.448 ( 0.469 0.452 0.204) 0.682 8.467 ( -1.464 -2.159 -0.683) 2.697 8.593 ( -2.607 -1.095 0.014) 2.828 8.660 ( -0.635 2.774 -0.369) 2.870 8.714 ( 2.031 -0.848 -3.663) 4.274 8.820 ( -0.621 1.337 -0.596) 1.590 9.127 ( 3.659 0.626 0.354) 3.729 9.318 ( -3.138 0.388 2.150) 3.824 9.408 ( -0.867 -1.429 -2.288) 2.834 9.608 ( -4.093 -1.351 3.845) 5.776 10.048 ( 2.055 1.325 2.951) 3.832 10.264 ( -0.651 -0.439 -3.715) 3.797 10.528 ( 2.321 -1.797 11.873) 12.231 10.724 ( 6.482 0.278 -15.563) 16.861 11.012 ( 1.177 -0.442 -12.275) 12.340 11.117 ( -2.228 1.118 1.046) 2.704 11.933 ( -5.812 1.977 16.548) 17.650 12.555 ( 1.012 -1.987 -3.197) 3.898 13.323 ( 0.053 0.035 0.580) 0.583 13.379 ( 0.568 0.124 -0.707) 0.915 14.261 ( 0.011 0.258 0.997) 1.030 14.368 ( 0.964 1.116 1.190) 1.895 14.557 ( -0.951 2.265 -2.517) 3.517 14.640 ( 1.098 -2.864 -0.361) 3.088 20.910 ( -4.500 -1.478 -0.837) 4.810 21.024 ( 1.613 1.951 12.054) 12.317 21.328 ( 4.232 3.416 -8.992) 10.509 21.572 ( -0.195 -0.248 -0.005) 0.315 21.573 ( 0.135 0.049 -0.078) 0.164 21.838 ( 5.998 -7.433 -9.138) 13.219 23.232 ( -1.824 -1.721 3.895) 4.633 23.445 ( -0.153 0.374 -0.252) 0.476 23.758 ( -0.653 0.360 11.213) 11.238 23.980 ( -1.411 -0.955 -8.257) 8.431 24.060 ( 0.079 -0.782 -2.369) 2.496 24.297 ( 2.754 4.696 -0.893) 5.516 24.323 ( 0.221 1.842 1.848) 2.619 24.385 ( -1.060 3.379 0.276) 3.552 24.434 ( -0.522 1.605 -0.330) 1.720 24.458 ( -0.918 1.358 1.611) 2.299 24.552 ( -6.296 1.374 4.166) 7.673 24.821 ( 1.164 -9.067 -3.796) 9.898 ======================= Grid point 91 (41/93) ======================= q-point: (-0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 0.621 15.376 7.720) 17.216 1.993 ( 0.303 19.977 -6.897) 21.136 2.118 ( -0.104 -4.047 -8.753) 9.644 2.186 ( -6.860 -4.867 -6.529) 10.648 2.344 ( -0.117 -4.132 -0.012) 4.133 2.442 ( 0.837 0.261 -1.263) 1.537 2.606 ( 5.375 -1.100 -5.038) 7.449 2.692 ( 3.794 -13.870 8.166) 16.537 2.889 ( -1.089 2.148 -4.133) 4.784 2.941 ( -4.328 0.551 0.727) 4.423 2.983 ( -0.756 -1.724 3.166) 3.683 3.099 ( 3.932 4.636 4.382) 7.494 3.129 ( -0.263 -3.804 -2.808) 4.736 3.206 ( 0.453 -2.702 3.255) 4.255 3.295 ( 2.106 -3.309 -0.425) 3.946 3.354 ( -4.385 -2.953 -0.629) 5.324 3.448 ( -3.375 4.884 3.387) 6.835 3.499 ( 0.728 2.926 7.486) 8.071 3.645 ( 1.951 -5.462 0.998) 5.886 3.943 ( 6.020 -0.384 0.137) 6.034 4.076 ( 3.879 4.289 -5.436) 7.937 4.231 ( -1.176 2.675 -10.038) 10.454 4.314 ( 2.925 -3.611 5.258) 7.017 4.365 ( 2.489 -2.501 -6.388) 7.298 4.416 ( 0.004 2.559 -2.133) 3.331 4.552 ( -2.473 2.878 2.666) 4.638 4.604 ( -1.816 1.575 0.468) 2.449 4.685 ( 1.670 6.686 0.178) 6.894 4.724 ( -4.308 -0.980 1.391) 4.632 4.826 ( -3.016 -2.493 -4.358) 5.857 4.978 ( 1.825 2.118 0.529) 2.845 5.114 ( 0.094 -1.698 3.067) 3.507 5.149 ( -0.693 -7.224 -1.691) 7.451 5.300 ( -4.571 0.250 3.665) 5.864 5.470 ( 2.979 0.715 7.863) 8.439 5.509 ( -4.337 -2.602 -5.424) 7.416 5.723 ( 1.169 0.797 -3.784) 4.040 5.807 ( -1.233 -3.226 8.646) 9.310 5.909 ( 0.757 0.549 3.443) 3.568 6.051 ( 0.678 2.461 -2.330) 3.456 6.930 ( 0.588 -7.495 4.019) 8.525 7.193 ( -0.097 -5.515 -2.768) 6.172 7.460 ( 0.298 2.372 1.898) 3.053 7.811 ( -1.324 5.585 -5.140) 7.705 7.952 ( -3.490 5.790 1.672) 6.964 8.155 ( 3.627 1.177 1.590) 4.131 8.215 ( 1.771 1.024 -1.452) 2.508 8.331 ( 0.675 -7.378 1.312) 7.524 8.431 ( -4.315 -2.560 -3.010) 5.851 8.522 ( 1.529 -1.320 -1.293) 2.398 8.549 ( 0.736 1.696 -1.494) 2.377 8.624 ( 0.423 1.273 0.014) 1.342 8.717 ( 2.169 3.289 -1.094) 4.089 8.758 ( -0.811 2.446 -0.139) 2.581 9.144 ( 2.573 2.100 3.449) 4.788 9.302 ( -1.057 -0.531 -2.481) 2.749 9.468 ( 0.063 -5.261 1.840) 5.574 9.605 ( -4.857 -2.503 2.252) 5.910 10.017 ( 0.491 5.405 4.073) 6.786 10.250 ( -0.359 -0.376 -2.388) 2.444 10.656 ( 3.498 -3.928 12.731) 13.774 10.734 ( 6.308 -1.008 -16.770) 17.945 10.928 ( 0.158 4.117 -17.467) 17.946 11.104 ( -3.127 -2.332 0.705) 3.963 11.926 ( -5.432 0.584 19.633) 20.379 12.567 ( 1.209 0.474 -3.086) 3.348 13.318 ( -0.204 0.657 0.554) 0.883 13.371 ( 0.308 0.861 -0.738) 1.175 14.244 ( -1.415 1.172 0.350) 1.871 14.376 ( 3.201 1.249 3.265) 4.740 14.486 ( -0.906 3.418 -2.561) 4.366 14.693 ( -0.518 -3.377 -3.353) 4.787 20.886 ( -5.280 -1.344 0.735) 5.498 21.033 ( -0.356 1.958 6.256) 6.565 21.289 ( 6.163 4.153 -2.996) 8.013 21.573 ( 0.004 -0.030 0.074) 0.079 21.576 ( -0.314 -0.398 -0.209) 0.549 21.930 ( 4.116 -3.248 -20.347) 21.011 23.268 ( -1.589 -2.055 5.153) 5.770 23.441 ( 0.090 0.262 0.539) 0.606 23.818 ( -1.399 -2.236 10.989) 11.301 23.954 ( -1.710 -1.620 -2.637) 3.536 24.040 ( 0.125 1.235 -3.568) 3.778 24.216 ( 0.695 5.002 -1.921) 5.403 24.271 ( -3.789 2.015 5.756) 7.180 24.335 ( -0.179 1.478 1.381) 2.031 24.423 ( 2.115 3.519 2.392) 4.751 24.435 ( 2.453 1.486 1.198) 3.108 24.539 ( -1.775 -1.818 2.239) 3.387 25.024 ( 0.638 -14.131 -4.597) 14.874 ======================= Grid point 92 (42/93) ======================= q-point: (-0.12 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 2.634 18.159 12.071) 21.963 1.569 ( 5.827 25.776 -3.209) 26.621 2.083 ( -2.467 -1.008 -18.663) 18.852 2.208 ( -0.594 -3.076 -11.059) 11.495 2.407 ( -3.059 -6.128 -0.435) 6.862 2.490 ( 2.450 3.303 6.266) 7.495 2.641 ( 5.120 0.103 0.650) 5.162 2.784 ( -0.633 2.404 0.932) 2.655 2.901 ( -3.112 -4.977 -0.766) 5.920 2.979 ( -0.512 -4.306 3.201) 5.390 3.027 ( -2.548 -2.450 6.211) 7.147 3.064 ( 2.887 2.199 6.698) 7.618 3.164 ( -1.282 -3.539 -1.450) 4.033 3.261 ( -3.115 -2.275 0.412) 3.879 3.362 ( -0.978 -2.001 -1.104) 2.486 3.389 ( -0.086 -4.903 0.969) 4.999 3.455 ( 2.043 -3.162 -0.337) 3.780 3.554 ( 0.599 -5.997 8.209) 10.184 3.779 ( -0.645 -6.774 0.939) 6.870 4.001 ( 6.324 4.391 -8.243) 11.280 4.039 ( 5.318 -0.967 1.134) 5.523 4.132 ( -0.156 0.798 -10.025) 10.058 4.223 ( -4.699 6.359 -4.934) 9.320 4.382 ( 2.717 3.846 -1.468) 4.933 4.431 ( 1.228 2.230 1.720) 3.073 4.534 ( 3.292 -0.080 -2.385) 4.066 4.571 ( -5.945 0.304 -1.433) 6.122 4.619 ( 3.504 1.544 -0.559) 3.870 4.703 ( -1.274 -0.011 -1.394) 1.889 4.772 ( -1.627 1.353 -5.735) 6.113 5.006 ( -1.861 3.441 9.189) 9.987 5.087 ( -4.666 -3.528 4.938) 7.655 5.248 ( -1.667 -0.016 2.056) 2.646 5.315 ( -1.641 -9.368 2.385) 9.805 5.504 ( -2.395 -5.093 -1.787) 5.905 5.566 ( 0.683 -4.041 5.591) 6.933 5.714 ( 1.996 0.679 -1.972) 2.887 5.861 ( -2.334 -1.383 3.312) 4.282 5.920 ( 2.236 1.563 2.290) 3.562 6.007 ( 0.705 2.299 -0.694) 2.502 7.114 ( -0.134 -10.353 4.403) 11.251 7.287 ( -2.355 -7.401 -2.294) 8.098 7.424 ( 0.420 2.194 0.314) 2.256 7.654 ( -0.278 8.018 -5.665) 9.821 7.839 ( -2.611 4.587 2.064) 5.667 8.141 ( -0.368 3.737 -5.151) 6.375 8.183 ( 2.610 2.849 4.649) 6.045 8.404 ( -4.328 2.922 -5.661) 7.702 8.463 ( 1.520 -5.113 0.450) 5.354 8.475 ( 0.026 -2.501 -0.667) 2.589 8.593 ( 0.305 2.872 2.237) 3.654 8.617 ( 0.488 -1.006 -0.677) 1.307 8.671 ( 5.136 2.532 0.223) 5.730 8.752 ( 2.431 -0.155 -0.854) 2.582 9.117 ( -0.359 4.436 2.338) 5.028 9.295 ( 1.905 0.474 -0.092) 1.966 9.533 ( -3.184 -1.090 4.711) 5.790 9.657 ( -2.298 -7.549 -0.450) 7.904 9.918 ( 0.362 7.240 2.656) 7.721 10.257 ( 0.452 -1.046 -1.142) 1.613 10.675 ( 5.594 8.638 -25.773) 27.752 10.799 ( 0.880 -0.891 -11.694) 11.761 10.833 ( 1.468 -5.575 11.212) 12.608 11.140 ( -2.657 -4.812 0.647) 5.535 11.956 ( -5.701 -1.332 20.228) 21.058 12.541 ( 1.589 2.768 -2.429) 4.011 13.304 ( -0.117 0.921 0.498) 1.054 13.354 ( 0.447 1.123 -0.748) 1.422 14.206 ( -0.894 1.720 0.568) 2.020 14.395 ( 2.719 2.715 -1.034) 3.979 14.419 ( 1.355 2.703 2.701) 4.054 14.706 ( -1.641 -1.453 -7.518) 7.831 20.859 ( -4.737 -1.002 1.563) 5.088 21.014 ( -0.366 0.807 1.332) 1.600 21.277 ( 6.048 4.412 1.243) 7.589 21.574 ( -0.073 -0.115 0.105) 0.172 21.577 ( -0.460 -0.287 -0.646) 0.844 21.860 ( 2.920 4.272 -28.161) 28.633 23.299 ( -2.174 -1.284 4.272) 4.962 23.440 ( 0.577 0.465 0.815) 1.102 23.823 ( -3.797 -0.442 -2.458) 4.545 23.977 ( 0.089 -0.091 -3.657) 3.659 24.062 ( 1.946 -2.242 7.349) 7.926 24.147 ( 0.717 3.294 0.067) 3.371 24.253 ( -1.939 -0.466 6.825) 7.110 24.324 ( -0.922 0.050 2.768) 2.918 24.402 ( 1.243 2.473 4.093) 4.941 24.433 ( 3.370 2.576 0.694) 4.298 24.601 ( -1.429 -6.049 10.799) 12.460 25.258 ( -2.886 -15.887 -5.360) 17.013 ======================= Grid point 96 (43/93) ======================= q-point: ( 0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 5.223 0.000 -12.537) 13.582 1.761 ( 18.392 0.000 5.556) 19.213 1.878 ( 12.349 0.000 9.549) 15.611 1.932 ( 6.648 0.000 -13.080) 14.672 2.202 ( -12.416 -0.000 -1.188) 12.472 2.640 ( -0.658 -0.000 7.377) 7.406 2.748 ( -6.503 -0.000 -6.136) 8.941 2.936 ( -9.509 -0.000 -0.347) 9.515 2.947 ( -0.573 -0.000 1.221) 1.349 3.021 ( -9.843 -0.000 -1.419) 9.945 3.090 ( -5.663 -0.000 4.565) 7.274 3.204 ( -5.964 -0.000 4.824) 7.671 3.239 ( 3.379 0.000 6.849) 7.637 3.256 ( -1.097 -0.000 -4.544) 4.675 3.270 ( -4.550 -0.000 -6.240) 7.723 3.424 ( 3.071 0.000 5.525) 6.322 3.501 ( 0.829 0.000 0.405) 0.922 3.653 ( 4.398 0.000 13.243) 13.954 3.662 ( -4.248 -0.000 -3.331) 5.398 3.807 ( -5.695 -0.000 4.601) 7.321 3.836 ( 5.076 0.000 2.648) 5.725 4.012 ( 11.111 0.000 -8.278) 13.855 4.286 ( -8.840 -0.000 -10.380) 13.634 4.378 ( 7.628 0.000 -1.975) 7.880 4.463 ( 8.498 0.000 -1.350) 8.604 4.477 ( 4.419 0.000 -1.937) 4.825 4.627 ( 0.164 0.000 3.009) 3.013 4.681 ( 6.368 0.000 1.017) 6.448 4.775 ( 2.798 0.000 -1.497) 3.173 4.907 ( 1.302 0.000 -3.533) 3.765 4.935 ( -3.729 -0.000 6.922) 7.863 5.098 ( -9.191 -0.000 0.383) 9.199 5.176 ( -11.353 -0.000 0.071) 11.354 5.366 ( -4.200 -0.000 6.954) 8.124 5.498 ( -2.162 -0.000 0.734) 2.283 5.574 ( 1.651 0.000 -4.724) 5.005 5.619 ( -2.223 -0.000 1.371) 2.611 5.845 ( -1.487 -0.000 -5.557) 5.753 5.922 ( 4.237 0.000 -2.953) 5.165 6.026 ( 3.720 0.000 0.176) 3.724 7.093 ( -6.283 -0.000 -0.911) 6.349 7.176 ( -9.115 -0.000 1.010) 9.171 7.531 ( 4.537 0.000 0.914) 4.628 7.570 ( 2.574 0.000 0.947) 2.742 7.948 ( 2.154 0.000 2.375) 3.206 8.004 ( 8.000 0.000 -1.911) 8.225 8.290 ( 2.596 0.000 0.530) 2.650 8.319 ( -3.453 -0.000 1.116) 3.629 8.429 ( -2.334 -0.000 0.539) 2.395 8.443 ( -5.655 -0.000 -0.393) 5.669 8.600 ( 0.411 0.000 -2.151) 2.190 8.684 ( 0.142 0.000 3.529) 3.532 8.686 ( 2.507 0.000 1.390) 2.866 8.736 ( 1.063 0.000 -2.785) 2.981 9.160 ( 5.203 0.000 -0.445) 5.222 9.449 ( -5.856 -0.000 1.550) 6.058 9.468 ( -6.984 -0.000 -0.985) 7.054 9.543 ( 3.452 0.000 1.451) 3.744 10.054 ( 5.114 0.000 -5.248) 7.328 10.109 ( 4.049 0.000 0.557) 4.087 10.490 ( 2.287 0.000 10.260) 10.512 10.737 ( 8.736 0.000 -20.061) 21.881 11.007 ( -6.722 -0.000 1.380) 6.862 11.206 ( -0.899 -0.000 1.603) 1.838 12.068 ( -5.292 -0.000 9.717) 11.065 12.391 ( 1.404 0.000 -2.738) 3.077 13.305 ( 0.585 0.000 0.533) 0.792 13.357 ( 1.180 0.000 -0.649) 1.347 14.259 ( 1.772 0.000 1.809) 2.532 14.348 ( 1.318 0.000 -0.029) 1.318 14.562 ( 2.130 0.000 1.545) 2.631 14.616 ( 1.156 0.000 -3.381) 3.573 20.923 ( -2.621 -0.000 -1.039) 2.820 21.067 ( 1.801 0.000 9.639) 9.805 21.278 ( 3.824 0.000 -15.827) 16.282 21.565 ( 7.184 0.000 4.717) 8.594 21.571 ( -0.072 -0.000 -0.107) 0.129 21.589 ( 2.288 0.000 3.481) 4.165 23.205 ( -3.147 -0.000 1.969) 3.712 23.479 ( 1.894 0.000 -4.129) 4.543 23.840 ( -0.946 -0.000 4.137) 4.243 23.890 ( 1.131 0.000 0.469) 1.225 23.981 ( -0.542 -0.000 -9.664) 9.679 24.344 ( 2.066 0.000 -0.092) 2.068 24.356 ( 1.823 0.000 -1.563) 2.401 24.362 ( -0.362 -0.000 0.246) 0.438 24.439 ( 1.583 0.000 1.116) 1.937 24.495 ( 9.229 0.000 3.981) 10.051 24.795 ( -16.271 -0.000 15.749) 22.645 24.922 ( -17.477 -0.000 -12.728) 21.620 ======================= Grid point 97 (44/93) ======================= q-point: ( 0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 11.436 -5.256 -0.978) 12.624 1.877 ( 7.825 2.531 -5.504) 9.896 1.997 ( 6.054 -3.187 9.022) 11.323 2.079 ( 5.701 -1.359 5.652) 8.142 2.102 ( -2.174 -3.827 -4.283) 6.142 2.602 ( -3.572 6.821 5.847) 9.668 2.681 ( -4.796 -3.818 -3.872) 7.251 2.814 ( -3.485 2.074 -3.362) 5.267 2.880 ( -8.655 -1.855 -8.961) 12.596 2.966 ( -4.393 0.630 -3.693) 5.773 3.087 ( -10.584 4.104 -2.637) 11.654 3.123 ( 0.915 1.842 5.333) 5.716 3.159 ( -0.970 0.361 2.151) 2.387 3.200 ( -0.983 1.453 -0.670) 1.878 3.304 ( 0.022 1.493 1.386) 2.038 3.407 ( -3.738 4.483 -0.848) 5.898 3.466 ( 3.336 2.175 4.224) 5.806 3.660 ( -4.389 -0.592 -2.516) 5.094 3.748 ( -1.218 -3.632 2.726) 4.702 3.797 ( 1.042 -1.095 8.358) 8.493 3.968 ( 5.369 -6.229 5.283) 9.775 4.100 ( 9.625 -1.789 -7.002) 12.036 4.185 ( 3.120 2.707 -1.323) 4.337 4.428 ( 3.775 1.787 -5.455) 6.871 4.484 ( -0.371 -1.351 1.544) 2.085 4.557 ( 3.957 -1.171 -2.914) 5.052 4.667 ( 5.314 -1.398 1.837) 5.794 4.741 ( 1.494 -0.249 3.955) 4.235 4.851 ( 3.701 -4.935 -0.399) 6.181 4.858 ( -5.949 2.922 -4.821) 8.195 4.907 ( -5.918 1.210 9.240) 11.040 4.999 ( -3.169 3.367 -2.364) 5.194 5.099 ( -4.774 -2.913 -3.133) 6.410 5.324 ( -6.326 1.563 7.722) 10.104 5.488 ( 0.724 0.803 1.806) 2.105 5.568 ( 3.526 1.748 -5.279) 6.584 5.619 ( -1.185 -1.819 -0.085) 2.173 5.775 ( -0.742 1.826 -4.474) 4.889 5.993 ( 3.544 -0.966 -2.491) 4.439 6.023 ( 1.114 1.633 0.659) 2.084 6.980 ( -3.815 5.477 1.064) 6.759 7.128 ( -4.191 -1.118 -0.947) 4.439 7.511 ( 1.495 2.461 2.762) 3.990 7.703 ( 2.364 -7.583 -1.450) 8.074 7.991 ( 1.086 -2.464 2.811) 3.892 8.088 ( 7.063 -1.118 -1.248) 7.259 8.246 ( -2.833 1.704 0.257) 3.316 8.330 ( -0.999 2.523 0.564) 2.772 8.370 ( -2.976 -1.044 0.179) 3.159 8.444 ( -0.527 -1.396 1.623) 2.205 8.587 ( -2.317 0.131 -1.687) 2.869 8.677 ( 1.198 0.934 -0.634) 1.646 8.707 ( -0.681 0.010 1.073) 1.271 8.766 ( 1.560 -2.802 -1.998) 3.779 9.194 ( 6.279 2.444 -0.192) 6.741 9.368 ( -6.086 1.992 2.795) 6.987 9.413 ( -4.009 -0.089 -1.910) 4.442 9.575 ( -0.219 -0.540 0.712) 0.920 10.059 ( 3.365 0.876 -1.011) 3.621 10.199 ( 3.205 -3.208 0.965) 4.636 10.539 ( 1.914 1.420 11.422) 11.668 10.746 ( 7.347 0.077 -17.884) 19.335 10.947 ( -5.054 -1.160 -3.896) 6.486 11.197 ( 0.470 1.654 0.415) 1.769 12.019 ( -5.916 2.679 10.090) 12.000 12.434 ( 1.397 -3.771 -2.594) 4.785 13.315 ( 0.275 -0.266 0.605) 0.716 13.368 ( 0.798 -0.391 -0.625) 1.086 14.277 ( 0.953 0.493 2.087) 2.347 14.366 ( 0.514 -0.719 0.463) 0.997 14.577 ( 0.382 0.043 0.274) 0.472 14.616 ( 1.149 0.098 -2.127) 2.419 20.891 ( -2.615 0.246 -1.466) 3.008 21.099 ( 1.707 2.461 13.458) 13.787 21.299 ( 2.052 -4.252 -15.299) 16.011 21.569 ( -0.133 0.164 0.029) 0.213 21.577 ( -0.061 0.078 -0.131) 0.164 21.710 ( 10.165 -0.309 8.926) 13.532 23.190 ( -2.539 -0.600 2.524) 3.629 23.470 ( 1.120 0.787 -3.931) 4.163 23.812 ( -0.920 2.403 4.887) 5.523 23.926 ( -0.379 -1.926 -6.857) 7.133 23.972 ( 0.566 -3.265 -4.162) 5.320 24.346 ( -0.975 0.368 0.099) 1.047 24.360 ( 1.071 -0.148 -0.873) 1.390 24.388 ( 2.092 -1.565 -0.171) 2.618 24.450 ( -0.173 0.202 1.092) 1.124 24.565 ( 1.198 2.860 -2.436) 3.943 24.673 ( -12.786 3.105 11.135) 17.237 24.726 ( -3.408 0.980 -6.598) 7.490 ======================= Grid point 98 (45/93) ======================= q-point: (-0.38 -0.62 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -4.191 -3.464 -0.943) 5.519 1.973 ( 6.957 -4.175 4.599) 9.326 2.097 ( 0.384 5.608 8.062) 9.828 2.168 ( -0.696 -6.726 8.080) 10.536 2.185 ( 6.516 -5.802 -2.617) 9.109 2.505 ( -0.032 3.328 6.616) 7.406 2.646 ( -5.636 5.827 -8.847) 12.000 2.769 ( -5.100 -4.814 -3.921) 8.035 2.777 ( 4.945 4.252 -8.992) 11.108 2.888 ( -6.767 0.004 -10.351) 12.367 3.004 ( 2.071 -1.745 -1.267) 2.990 3.035 ( -1.845 2.288 -0.460) 2.975 3.136 ( -0.563 5.860 -1.156) 5.999 3.200 ( 1.592 -0.779 1.620) 2.401 3.290 ( -1.840 -1.576 2.572) 3.533 3.347 ( -0.628 0.149 0.998) 1.188 3.445 ( 0.322 3.742 2.951) 4.776 3.598 ( -0.757 2.525 2.405) 3.568 3.789 ( -9.660 -3.558 -0.506) 10.307 3.860 ( 7.636 -1.661 1.141) 7.898 4.133 ( 3.919 -4.849 2.381) 6.674 4.191 ( 5.596 0.591 -1.985) 5.967 4.235 ( 9.935 1.876 6.347) 11.938 4.389 ( 1.387 1.614 -4.440) 4.924 4.527 ( -1.674 3.062 -0.665) 3.552 4.546 ( 2.136 -3.045 -1.301) 3.940 4.656 ( -10.890 3.564 -6.299) 13.076 4.732 ( 0.699 1.246 1.085) 1.794 4.796 ( 0.656 -2.027 4.820) 5.270 4.854 ( -3.960 1.960 3.179) 5.443 4.940 ( -0.608 -1.178 0.828) 1.563 4.978 ( 3.957 -2.356 2.484) 5.232 5.094 ( -3.025 -1.602 -6.858) 7.665 5.274 ( -4.355 0.351 4.743) 6.449 5.514 ( 3.642 0.492 -1.659) 4.032 5.528 ( 2.298 3.039 -1.118) 3.971 5.660 ( -0.936 -3.646 1.430) 4.027 5.743 ( -0.868 0.210 -0.264) 0.931 5.949 ( -0.922 2.912 2.572) 3.993 6.064 ( 1.124 -1.985 -3.069) 3.824 6.880 ( 0.357 4.128 2.752) 4.974 7.111 ( 0.050 -0.301 -2.821) 2.837 7.509 ( 0.220 0.697 4.299) 4.360 7.814 ( -0.993 -4.929 -3.932) 6.383 8.060 ( -3.192 -3.712 1.702) 5.183 8.155 ( 2.033 -0.128 0.058) 2.038 8.193 ( 2.108 1.306 0.257) 2.494 8.262 ( 1.632 4.076 2.657) 5.132 8.399 ( -0.472 -2.113 -1.032) 2.398 8.471 ( 0.747 -0.970 1.433) 1.885 8.544 ( -4.012 -0.384 -1.392) 4.264 8.664 ( -1.114 -0.111 -2.463) 2.705 8.711 ( 0.954 -0.382 -0.460) 1.126 8.812 ( 0.373 -1.472 -1.514) 2.144 9.207 ( 5.682 2.837 0.281) 6.357 9.305 ( -4.047 0.650 4.555) 6.127 9.375 ( -0.610 0.089 -4.049) 4.096 9.565 ( -3.055 -0.186 0.917) 3.195 10.079 ( 0.722 -0.392 0.696) 1.077 10.269 ( 2.929 -0.059 3.725) 4.739 10.582 ( 1.614 0.247 11.342) 11.459 10.742 ( 6.741 0.662 -15.478) 16.896 10.914 ( -4.238 -2.800 -8.994) 10.329 11.158 ( 1.403 3.339 -2.754) 4.550 11.963 ( -6.511 1.607 13.443) 15.023 12.504 ( 1.329 -3.633 -3.022) 4.909 13.323 ( -0.163 -0.265 0.646) 0.717 13.378 ( 0.289 -0.348 -0.663) 0.803 14.277 ( -0.084 0.865 1.841) 2.036 14.386 ( 0.843 -0.595 1.220) 1.598 14.560 ( -1.584 0.762 -2.218) 2.830 14.627 ( 1.694 -0.243 -0.374) 1.752 20.856 ( -3.077 0.041 -0.098) 3.078 21.123 ( -0.114 2.713 13.652) 13.919 21.319 ( 1.805 -2.863 -13.612) 14.026 21.564 ( -0.328 -0.002 -0.008) 0.328 21.575 ( 0.078 0.095 -0.121) 0.173 21.849 ( 10.579 -0.240 3.682) 11.204 23.199 ( -2.023 -1.598 4.198) 4.926 23.454 ( 0.589 0.582 -1.758) 1.943 23.794 ( -1.335 0.846 6.311) 6.506 23.909 ( -1.004 -1.508 -10.646) 10.799 24.025 ( 0.230 -2.459 -1.666) 2.979 24.319 ( -4.019 0.556 2.061) 4.551 24.369 ( 1.798 2.083 -2.960) 4.042 24.413 ( -4.134 2.386 -5.590) 7.351 24.438 ( -1.611 -0.712 -0.991) 2.021 24.454 ( 0.646 -2.191 -0.210) 2.293 24.550 ( -7.463 2.782 7.634) 11.032 24.772 ( 9.270 0.395 0.293) 9.283 ======================= Grid point 99 (46/93) ======================= q-point: (-0.25 -0.62 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( -11.761 -8.879 -3.036) 15.046 1.972 ( 4.859 9.273 8.285) 13.350 2.086 ( 0.878 -0.833 6.037) 6.157 2.168 ( -1.581 2.475 -5.157) 5.934 2.422 ( 2.619 7.492 -1.227) 8.030 2.438 ( -0.733 -6.121 1.907) 6.453 2.530 ( 0.632 -3.380 4.135) 5.378 2.654 ( 2.147 7.024 -10.041) 12.441 2.791 ( -4.284 -3.755 -8.475) 10.211 2.862 ( -0.188 -4.577 -2.153) 5.062 3.007 ( 0.251 -4.433 0.903) 4.531 3.061 ( 2.081 1.975 -2.450) 3.772 3.156 ( 5.472 -2.112 0.912) 5.936 3.208 ( 1.465 1.073 -0.720) 1.953 3.298 ( -1.165 -1.213 0.461) 1.744 3.330 ( 1.477 1.695 1.002) 2.462 3.429 ( -3.762 -1.579 4.254) 5.894 3.594 ( 1.824 0.888 3.535) 4.075 3.704 ( -2.531 4.404 1.036) 5.184 3.986 ( 7.787 -1.512 4.843) 9.294 4.122 ( -0.575 4.810 -7.986) 9.340 4.237 ( 3.016 -0.039 -2.537) 3.941 4.321 ( 3.280 -0.911 3.799) 5.101 4.372 ( 1.507 0.851 -1.871) 2.549 4.449 ( -1.160 2.891 -0.724) 3.198 4.516 ( -3.969 -0.845 -3.167) 5.147 4.607 ( -2.168 -2.660 -2.261) 4.109 4.670 ( -3.160 4.457 5.132) 7.496 4.769 ( -1.919 1.539 -4.036) 4.727 4.832 ( 0.107 2.465 2.236) 3.330 5.002 ( -1.047 -3.527 2.953) 4.717 5.032 ( -1.703 -0.952 -1.024) 2.203 5.087 ( 1.794 -2.903 1.335) 3.664 5.264 ( -2.019 -1.122 1.537) 2.775 5.445 ( -0.712 1.781 -7.917) 8.146 5.559 ( 2.001 2.519 8.039) 8.659 5.715 ( 1.026 -1.774 -2.949) 3.591 5.762 ( -0.808 -2.722 5.095) 5.833 5.928 ( -0.770 -0.398 2.600) 2.741 6.075 ( 0.216 0.253 -1.474) 1.512 6.882 ( 2.803 -1.061 3.771) 4.817 7.121 ( 1.266 -1.547 -3.726) 4.228 7.509 ( -0.510 1.467 4.343) 4.613 7.818 ( -2.968 -0.063 -4.253) 5.186 7.995 ( -6.146 3.343 -0.404) 7.008 8.199 ( 1.263 -1.280 -0.543) 1.879 8.240 ( 0.501 -3.640 2.940) 4.706 8.255 ( 4.584 1.877 2.671) 5.628 8.382 ( -1.642 1.897 -2.126) 3.289 8.484 ( -2.311 -1.393 -3.300) 4.263 8.565 ( 3.377 -2.547 1.808) 4.600 8.648 ( -0.043 0.175 -2.383) 2.389 8.729 ( 0.823 -0.983 -1.356) 1.866 8.802 ( -0.276 1.826 -1.098) 2.148 9.208 ( 1.056 1.785 1.470) 2.542 9.299 ( 2.651 0.466 -0.439) 2.727 9.395 ( 0.456 -3.680 1.083) 3.864 9.534 ( -4.642 -0.335 0.849) 4.731 10.080 ( -1.206 0.677 1.229) 1.850 10.285 ( 1.897 2.840 6.005) 6.908 10.661 ( 2.174 -2.546 6.208) 7.053 10.746 ( 7.045 0.337 -11.493) 13.485 10.873 ( -3.623 -1.361 -11.331) 11.974 11.096 ( 1.121 3.053 -4.850) 5.840 11.941 ( -6.925 0.037 16.576) 17.964 12.555 ( 1.463 -1.941 -3.279) 4.082 13.324 ( -0.416 0.083 0.619) 0.751 13.379 ( 0.006 0.126 -0.724) 0.735 14.259 ( -1.016 1.359 1.535) 2.289 14.420 ( 2.308 -0.894 2.221) 3.325 14.510 ( -1.530 1.771 -3.285) 4.034 14.645 ( 0.523 -0.573 -0.976) 1.247 20.829 ( -3.466 -0.365 1.794) 3.920 21.091 ( -2.395 3.440 6.124) 7.421 21.347 ( 3.007 -1.787 -6.228) 7.143 21.563 ( -0.275 -0.229 -0.153) 0.389 21.574 ( 0.098 0.079 -0.006) 0.126 21.933 ( 9.688 2.256 -6.329) 11.790 23.234 ( -1.958 -2.212 6.213) 6.880 23.451 ( 0.573 0.194 0.537) 0.809 23.796 ( -2.263 -0.734 0.064) 2.380 23.894 ( -1.535 -2.230 -1.734) 3.215 24.042 ( 0.312 -0.342 -1.086) 1.180 24.240 ( -4.405 2.109 -2.292) 5.395 24.301 ( -3.267 1.997 2.685) 4.677 24.362 ( -0.288 2.090 -0.456) 2.158 24.455 ( -0.092 0.498 1.482) 1.566 24.478 ( -1.520 -2.620 -0.070) 3.030 24.540 ( 3.160 -0.830 1.453) 3.576 24.862 ( 5.806 -2.705 -1.868) 6.672 ======================= Grid point 100 (47/93) ======================= q-point: (-0.12 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( -0.260 9.906 6.546) 11.876 1.973 ( 4.796 11.929 -2.522) 13.102 2.026 ( -1.318 4.904 -6.022) 7.877 2.103 ( 0.820 -3.677 0.257) 3.776 2.329 ( 0.246 4.865 -6.802) 8.367 2.459 ( 1.255 -5.398 -4.147) 6.922 2.611 ( -0.301 -2.963 -3.959) 4.954 2.706 ( -2.332 -10.133 1.441) 10.497 2.781 ( -4.075 -4.385 -4.831) 7.693 2.944 ( -0.572 -0.007 9.186) 9.204 3.061 ( 2.832 -0.224 1.910) 3.423 3.112 ( 1.521 -1.486 -2.783) 3.502 3.155 ( -1.044 -2.711 -0.577) 2.961 3.245 ( 0.526 1.585 5.166) 5.429 3.300 ( -3.527 -0.590 2.635) 4.442 3.343 ( 0.196 -1.681 3.084) 3.518 3.428 ( 4.038 0.765 -1.770) 4.475 3.611 ( 2.971 0.931 6.332) 7.056 3.684 ( 0.038 -2.016 3.210) 3.791 4.003 ( -2.772 -0.672 -9.819) 10.225 4.104 ( 4.704 -1.200 -2.219) 5.338 4.158 ( 3.078 6.313 -6.837) 9.801 4.268 ( -2.719 6.109 -6.074) 9.033 4.391 ( -1.578 -0.344 -0.320) 1.646 4.442 ( 1.030 -2.171 -0.923) 2.574 4.544 ( -0.373 1.876 1.593) 2.489 4.584 ( 1.400 2.335 1.499) 3.107 4.633 ( -1.194 -4.589 2.613) 5.414 4.715 ( -0.116 1.976 -2.211) 2.968 4.783 ( 0.210 2.912 2.154) 3.628 5.019 ( -1.407 -0.488 0.494) 1.569 5.059 ( -3.052 -2.192 4.524) 5.881 5.144 ( -1.036 -2.366 0.421) 2.617 5.267 ( -1.649 -0.922 1.013) 2.143 5.418 ( 0.102 -1.793 -3.717) 4.128 5.565 ( -0.412 0.546 9.207) 9.232 5.734 ( 2.128 -0.235 -2.196) 3.067 5.803 ( -2.413 -2.325 0.558) 3.397 5.956 ( 0.606 -0.292 1.654) 1.785 6.060 ( 0.792 1.699 1.256) 2.256 6.981 ( 0.454 -5.737 3.523) 6.748 7.158 ( -0.319 -3.768 -3.233) 4.975 7.480 ( -0.460 2.732 2.760) 3.911 7.743 ( -0.455 4.126 -4.354) 6.016 7.886 ( -3.399 3.282 1.585) 4.984 8.184 ( 0.138 2.651 -2.969) 3.982 8.272 ( 0.962 2.632 4.759) 5.523 8.318 ( -3.228 -3.538 -2.299) 5.312 8.357 ( 0.878 -4.565 -0.138) 4.650 8.467 ( -0.251 0.308 -2.982) 3.008 8.626 ( 1.032 0.764 -1.108) 1.696 8.656 ( 3.663 0.026 0.782) 3.745 8.751 ( 0.638 -0.233 -2.062) 2.170 8.763 ( 2.657 1.064 0.091) 2.864 9.168 ( -1.821 2.710 -0.656) 3.330 9.335 ( 5.078 -0.010 0.488) 5.102 9.490 ( -2.720 -0.982 4.648) 5.474 9.508 ( -2.639 -6.286 0.324) 6.825 10.037 ( -1.036 3.702 1.678) 4.195 10.275 ( 1.140 2.287 5.814) 6.351 10.684 ( -1.197 0.312 -14.815) 14.866 10.762 ( 2.210 0.391 -12.900) 13.094 10.860 ( 5.433 -0.849 6.166) 8.261 11.065 ( 0.209 -1.192 -3.113) 3.340 11.946 ( -7.342 -1.015 17.406) 18.918 12.573 ( 1.645 0.217 -3.045) 3.468 13.317 ( -0.283 0.512 0.534) 0.792 13.370 ( 0.204 0.594 -0.745) 0.975 14.229 ( -0.849 1.406 1.673) 2.344 14.442 ( 0.165 2.211 -4.938) 5.413 14.481 ( 2.504 -0.326 4.893) 5.506 14.644 ( -0.828 -0.466 -3.554) 3.679 20.813 ( -3.000 -0.476 3.143) 4.371 21.037 ( -1.341 1.793 2.334) 3.235 21.368 ( 1.873 0.475 -3.702) 4.176 21.564 ( -0.068 -0.163 -0.421) 0.456 21.574 ( 0.010 0.029 0.103) 0.107 21.908 ( 8.120 6.029 -14.684) 17.830 23.271 ( -2.272 -1.432 5.536) 6.153 23.457 ( 0.291 0.277 1.878) 1.920 23.759 ( -3.759 -0.631 -5.583) 6.760 23.946 ( 0.417 -2.990 0.844) 3.135 24.065 ( 0.344 -1.545 5.433) 5.659 24.177 ( -1.509 1.087 -1.008) 2.115 24.256 ( -3.131 0.699 5.626) 6.477 24.333 ( -0.479 0.610 1.721) 1.888 24.446 ( -0.185 0.822 2.043) 2.209 24.513 ( 1.405 -0.560 -1.533) 2.153 24.583 ( 3.613 0.696 3.786) 5.280 24.976 ( -0.784 -9.045 -5.180) 10.453 ======================= Grid point 105 (48/93) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 6.247 0.000 2.992) 6.927 1.950 ( -1.820 -0.000 0.593) 1.914 2.015 ( 11.216 0.000 -8.123) 13.849 2.063 ( -0.163 -0.000 10.924) 10.925 2.167 ( 8.120 0.000 8.272) 11.592 2.533 ( -5.779 -0.000 -7.296) 9.308 2.703 ( -7.576 -0.000 -9.766) 12.360 2.709 ( 0.795 0.000 2.593) 2.712 2.795 ( -2.287 -0.000 -2.995) 3.768 2.889 ( -7.163 -0.000 -2.385) 7.550 3.084 ( -3.131 -0.000 0.501) 3.171 3.098 ( -7.960 -0.000 -10.642) 13.290 3.158 ( 2.522 0.000 7.536) 7.947 3.270 ( -2.004 -0.000 0.219) 2.016 3.299 ( 4.081 0.000 2.442) 4.756 3.430 ( -2.566 -0.000 -3.159) 4.070 3.543 ( 3.335 0.000 5.835) 6.721 3.580 ( -0.972 -0.000 -4.128) 4.241 3.624 ( -12.313 -0.000 1.563) 12.412 3.863 ( 2.496 0.000 11.842) 12.102 3.975 ( 4.042 0.000 8.437) 9.355 4.161 ( 10.715 0.000 -9.178) 14.109 4.285 ( 12.052 0.000 1.719) 12.174 4.420 ( -5.223 -0.000 -5.710) 7.739 4.505 ( 6.310 0.000 0.286) 6.316 4.586 ( 2.356 0.000 1.567) 2.829 4.692 ( -0.962 -0.000 4.667) 4.765 4.753 ( -4.680 -0.000 -3.295) 5.724 4.771 ( -2.616 -0.000 0.488) 2.661 4.892 ( -5.485 -0.000 7.315) 9.143 4.897 ( 5.826 0.000 -0.220) 5.831 4.994 ( 0.191 0.000 -3.009) 3.015 5.009 ( -3.972 -0.000 -4.003) 5.639 5.308 ( -6.681 -0.000 8.007) 10.428 5.511 ( 1.703 0.000 2.987) 3.438 5.595 ( 3.286 0.000 -7.728) 8.398 5.597 ( -0.952 -0.000 1.371) 1.669 5.744 ( -1.761 -0.000 -8.659) 8.836 5.993 ( 3.460 0.000 -0.529) 3.500 6.084 ( 1.441 0.000 -0.579) 1.553 7.034 ( 1.094 0.000 0.459) 1.186 7.072 ( -1.105 -0.000 0.389) 1.172 7.588 ( -1.369 -0.000 -0.463) 1.445 7.597 ( 0.729 0.000 1.578) 1.738 7.976 ( -0.934 -0.000 2.548) 2.714 8.137 ( 3.441 0.000 -1.072) 3.604 8.224 ( -1.273 -0.000 0.173) 1.284 8.332 ( -0.720 -0.000 0.280) 0.772 8.391 ( 1.885 0.000 1.450) 2.378 8.424 ( -0.474 -0.000 2.276) 2.325 8.549 ( -3.544 -0.000 -2.999) 4.643 8.681 ( -4.113 -0.000 -0.824) 4.195 8.710 ( -0.020 -0.000 2.024) 2.024 8.739 ( 2.752 0.000 -3.203) 4.223 9.285 ( 4.779 0.000 1.604) 5.041 9.349 ( -2.628 -0.000 0.818) 2.753 9.362 ( -2.438 -0.000 -1.488) 2.856 9.571 ( -0.782 -0.000 -0.092) 0.788 10.074 ( 0.295 0.000 -3.492) 3.504 10.240 ( 6.145 0.000 8.094) 10.162 10.611 ( 0.152 0.000 12.733) 12.734 10.747 ( 7.223 0.000 -18.796) 20.136 10.860 ( -5.670 -0.000 -6.326) 8.495 11.225 ( 1.542 0.000 0.197) 1.555 12.014 ( -7.062 -0.000 8.005) 10.675 12.406 ( 1.797 0.000 -1.865) 2.590 13.315 ( -0.167 -0.000 0.647) 0.668 13.368 ( 0.308 0.000 -0.586) 0.662 14.296 ( -0.179 -0.000 2.717) 2.723 14.367 ( 0.522 0.000 0.730) 0.897 14.572 ( -1.595 -0.000 -0.371) 1.637 14.627 ( 2.485 0.000 -1.709) 3.017 20.873 ( -1.387 -0.000 -0.574) 1.501 21.194 ( 0.350 0.000 14.606) 14.610 21.213 ( 1.300 0.000 -13.035) 13.100 21.572 ( 0.158 0.000 0.025) 0.160 21.575 ( -0.209 -0.000 -0.061) 0.217 21.857 ( 10.633 0.000 11.858) 15.927 23.172 ( -1.745 -0.000 2.222) 2.825 23.469 ( 0.844 0.000 -5.094) 5.163 23.839 ( -1.971 -0.000 2.666) 3.315 23.868 ( -0.543 -0.000 -12.487) 12.499 23.937 ( 1.254 0.000 1.154) 1.704 24.343 ( -1.935 -0.000 0.766) 2.082 24.356 ( -0.303 -0.000 -0.352) 0.464 24.373 ( 0.235 0.000 -3.139) 3.147 24.458 ( -0.338 -0.000 0.420) 0.539 24.482 ( -10.153 -0.000 -9.360) 13.810 24.620 ( -10.858 -0.000 8.556) 13.824 24.816 ( 14.437 0.000 2.084) 14.587 ======================= Grid point 106 (49/93) ======================= q-point: (-0.38 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -16.144 -0.305 -4.330) 16.717 2.033 ( -12.348 -1.582 10.317) 16.168 2.094 ( 11.779 -0.576 3.337) 12.256 2.189 ( 13.722 -4.738 4.326) 15.148 2.244 ( 5.096 4.087 8.958) 11.086 2.517 ( 0.175 -2.717 -1.938) 3.342 2.594 ( -3.297 2.033 -9.375) 10.144 2.700 ( -5.871 -0.301 -5.927) 8.348 2.760 ( -0.716 -3.597 -9.406) 10.096 2.847 ( -3.892 2.187 -5.752) 7.281 2.948 ( 1.693 -0.311 -0.706) 1.861 3.071 ( -1.781 0.723 -1.627) 2.518 3.204 ( 0.571 1.816 -0.276) 1.923 3.248 ( 3.318 -0.620 2.862) 4.426 3.303 ( 0.245 5.544 -0.625) 5.584 3.384 ( 2.205 1.320 2.889) 3.866 3.483 ( -5.466 2.185 -0.270) 5.893 3.567 ( -1.494 1.056 1.158) 2.165 3.657 ( -0.128 -5.052 3.129) 5.944 3.940 ( 4.882 -0.428 9.989) 11.127 4.111 ( 3.904 -5.430 8.671) 10.950 4.232 ( 8.547 -0.377 -7.824) 11.594 4.348 ( -5.220 -1.366 -5.754) 7.888 4.410 ( 10.048 2.212 4.600) 11.270 4.539 ( -2.794 1.705 -0.888) 3.392 4.567 ( 3.714 1.641 -1.381) 4.289 4.620 ( -5.997 5.000 -4.275) 8.902 4.736 ( -0.928 -2.193 1.139) 2.640 4.753 ( -4.899 -1.942 6.734) 8.551 4.845 ( -5.075 1.586 4.423) 6.916 4.927 ( 0.773 -0.463 -4.536) 4.624 5.001 ( -1.739 -1.495 -5.002) 5.502 5.026 ( 5.856 -1.037 3.007) 6.664 5.258 ( -5.352 0.901 4.373) 6.970 5.546 ( 2.695 1.259 -5.936) 6.639 5.582 ( 2.572 -0.268 0.810) 2.710 5.610 ( 0.600 -2.268 0.395) 2.379 5.721 ( -0.824 -1.097 -2.738) 3.062 6.018 ( 0.360 4.260 -3.149) 5.309 6.038 ( -0.220 0.192 1.530) 1.558 7.002 ( 4.560 5.153 2.141) 7.207 7.112 ( 3.713 -0.783 -1.753) 4.180 7.532 ( -1.774 1.159 2.860) 3.560 7.681 ( -2.640 -6.151 -1.605) 6.883 7.987 ( -2.964 -1.539 2.310) 4.061 8.129 ( -3.011 -0.992 -0.424) 3.198 8.245 ( 2.384 0.960 1.230) 2.849 8.339 ( 2.321 -1.380 -0.284) 2.715 8.404 ( 3.853 1.668 2.218) 4.748 8.451 ( 0.366 -0.936 0.352) 1.065 8.489 ( -5.205 0.139 -2.130) 5.626 8.629 ( -4.425 -0.324 -1.948) 4.845 8.710 ( 0.217 0.092 0.357) 0.428 8.777 ( 0.957 -2.088 -1.796) 2.915 9.285 ( -4.331 -0.495 5.076) 6.691 9.304 ( 1.118 3.132 -2.148) 3.959 9.393 ( 7.013 0.892 -2.546) 7.514 9.549 ( -2.296 0.783 0.499) 2.477 10.059 ( -2.054 -0.614 -1.378) 2.548 10.347 ( 6.629 0.153 10.262) 12.218 10.645 ( -0.521 0.886 11.523) 11.569 10.748 ( 6.440 -0.485 -16.665) 17.873 10.793 ( -3.876 -1.625 -10.159) 10.994 11.218 ( 1.810 2.536 -2.203) 3.816 11.959 ( -7.939 0.925 9.823) 12.664 12.446 ( 1.412 -3.093 -2.069) 3.980 13.316 ( -0.629 -0.274 0.653) 0.947 13.369 ( -0.207 -0.357 -0.618) 0.743 14.294 ( -1.070 0.549 2.486) 2.762 14.382 ( 0.468 -0.821 1.096) 1.447 14.540 ( -3.045 0.471 -1.516) 3.434 14.652 ( 3.442 0.188 -0.643) 3.507 20.850 ( -0.869 1.247 0.511) 1.603 21.210 ( 0.748 -3.366 -6.500) 7.358 21.219 ( -1.907 2.533 8.473) 9.047 21.568 ( 0.048 0.366 0.117) 0.387 21.576 ( 0.152 -0.048 -0.081) 0.179 22.006 ( 11.544 0.996 10.467) 15.615 23.174 ( -1.195 -0.880 3.118) 3.453 23.456 ( 0.579 0.062 -3.465) 3.513 23.800 ( -1.623 0.727 -6.505) 6.743 23.836 ( -1.279 -1.194 -5.025) 5.321 23.982 ( 0.738 -2.390 1.636) 2.989 24.300 ( -6.873 0.571 -6.538) 9.503 24.309 ( -3.806 -0.118 -3.766) 5.356 24.377 ( 0.552 -1.508 -0.464) 1.671 24.427 ( -1.352 -0.856 1.156) 1.974 24.440 ( -0.213 0.615 0.159) 0.670 24.535 ( -7.703 1.715 5.219) 9.461 24.954 ( 15.775 3.041 1.668) 16.152 ======================= Grid point 107 (50/93) ======================= q-point: (-0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -18.742 -7.717 -2.893) 20.474 1.998 ( -15.425 -7.717 6.893) 18.574 2.186 ( 7.060 3.999 2.758) 8.570 2.244 ( 8.087 4.355 11.106) 14.412 2.347 ( 3.165 0.540 -6.226) 7.006 2.481 ( -1.905 -0.468 -3.708) 4.195 2.573 ( -1.775 -0.891 2.176) 2.946 2.656 ( -0.527 -0.246 -4.608) 4.645 2.759 ( 2.971 -0.473 -2.069) 3.651 2.816 ( 3.387 -0.537 -7.765) 8.488 2.984 ( -1.035 1.206 -1.987) 2.544 3.051 ( 0.957 -0.073 -3.035) 3.183 3.178 ( 5.212 -2.830 -0.624) 5.963 3.234 ( -0.340 2.112 -6.003) 6.373 3.312 ( 5.105 2.290 4.649) 7.275 3.361 ( -2.615 1.718 3.706) 4.850 3.434 ( -1.730 1.617 4.790) 5.344 3.557 ( 1.426 -1.059 -1.366) 2.241 3.726 ( 0.391 -0.783 3.325) 3.439 4.069 ( 8.583 -2.442 4.583) 10.031 4.200 ( 2.069 4.310 -5.075) 6.972 4.281 ( 3.272 -1.092 3.277) 4.758 4.333 ( -3.111 -4.272 -2.677) 5.924 4.364 ( -3.893 5.877 1.883) 7.297 4.422 ( -6.256 2.395 -3.400) 7.512 4.535 ( 4.007 2.477 1.156) 4.850 4.572 ( 0.104 0.163 -3.865) 3.870 4.727 ( -3.990 2.339 7.106) 8.478 4.747 ( 0.024 0.711 -4.288) 4.346 4.854 ( -0.947 0.270 3.912) 4.034 4.935 ( -1.154 -3.013 4.282) 5.361 4.971 ( -3.669 -2.669 -5.105) 6.830 5.108 ( 4.564 -0.569 3.433) 5.739 5.225 ( -2.498 -0.851 -1.158) 2.882 5.479 ( 2.205 3.749 -9.305) 10.271 5.630 ( 0.176 -0.175 6.825) 6.830 5.696 ( 2.440 -0.711 -2.281) 3.415 5.737 ( 2.433 -3.025 3.069) 4.949 5.909 ( -3.566 2.038 -1.144) 4.264 6.060 ( -0.305 -1.154 0.281) 1.226 6.979 ( 6.322 4.792 2.778) 8.405 7.141 ( 5.175 1.447 -3.250) 6.280 7.522 ( -2.392 -0.252 3.893) 4.576 7.729 ( -3.928 -4.124 -2.402) 6.181 7.957 ( -5.966 0.309 1.263) 6.106 8.149 ( -1.089 -3.134 -0.312) 3.332 8.234 ( -0.888 0.636 3.081) 3.269 8.372 ( 0.689 4.063 -1.705) 4.459 8.417 ( 2.309 -1.619 -1.591) 3.237 8.429 ( 2.268 2.308 0.592) 3.290 8.522 ( 0.486 -5.632 2.240) 6.080 8.600 ( -3.300 -2.052 -3.257) 5.070 8.716 ( 0.129 -0.536 -0.729) 0.914 8.799 ( -0.448 -0.727 -1.687) 1.891 9.239 ( -1.119 2.556 -2.162) 3.530 9.311 ( -1.069 -2.908 4.748) 5.669 9.419 ( 6.997 3.074 -2.174) 7.946 9.516 ( -1.410 1.129 1.862) 2.594 10.045 ( -3.861 -1.407 0.364) 4.126 10.410 ( 3.788 3.872 10.796) 12.079 10.659 ( -0.280 -0.098 -4.165) 4.175 10.758 ( 4.191 -0.897 -14.674) 15.287 10.791 ( 2.486 -2.872 1.424) 4.057 11.156 ( 1.444 4.367 -6.082) 7.625 11.918 ( -8.572 -0.522 13.639) 16.117 12.508 ( 1.155 -3.415 -2.696) 4.502 13.317 ( -0.845 -0.381 0.630) 1.120 13.370 ( -0.471 -0.431 -0.706) 0.952 14.276 ( -1.501 1.074 2.103) 2.798 14.413 ( 0.564 -1.710 0.546) 1.882 14.492 ( -3.280 0.328 -1.858) 3.784 14.675 ( 3.556 1.264 -0.078) 3.774 20.824 ( -0.888 1.269 2.457) 2.905 21.148 ( -3.646 4.177 3.321) 6.463 21.268 ( -0.328 -4.601 -3.982) 6.094 21.565 ( 0.246 0.211 0.158) 0.360 21.577 ( 0.180 0.098 -0.042) 0.209 22.112 ( 12.874 4.538 2.167) 13.821 23.205 ( -1.229 -1.977 6.146) 6.572 23.458 ( 0.452 -0.313 -0.114) 0.562 23.744 ( -2.334 -0.281 -10.456) 10.717 23.841 ( -1.281 -2.071 1.178) 2.705 24.029 ( 0.366 -1.464 1.587) 2.190 24.206 ( -4.578 0.130 -5.134) 6.879 24.274 ( -4.024 -0.486 0.760) 4.124 24.378 ( -3.412 1.256 -0.622) 3.689 24.421 ( 2.169 -1.868 -1.504) 3.234 24.464 ( -4.074 0.978 2.834) 5.058 24.491 ( 0.040 -3.842 0.720) 3.909 25.027 ( 13.963 6.387 0.587) 15.365 ======================= Grid point 108 (51/93) ======================= q-point: (-0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -13.055 -14.125 -1.033) 19.262 2.056 ( -9.136 -10.715 1.903) 14.208 2.167 ( 3.263 7.251 6.703) 10.399 2.218 ( 7.785 9.760 3.434) 12.948 2.345 ( 3.295 -0.993 -4.059) 5.322 2.460 ( -2.299 8.476 -4.206) 9.737 2.557 ( 1.212 -5.056 -1.807) 5.504 2.646 ( -0.235 -2.883 -8.465) 8.945 2.678 ( 2.670 7.318 -1.139) 7.872 2.954 ( 5.366 -6.533 4.335) 9.501 2.996 ( -2.280 -3.940 0.261) 4.560 3.059 ( 1.007 -1.998 -3.209) 3.913 3.184 ( 2.246 1.155 -2.986) 3.911 3.280 ( -2.280 0.275 -0.550) 2.362 3.298 ( -1.225 3.575 6.981) 7.938 3.351 ( -0.224 1.313 2.349) 2.701 3.409 ( 2.523 -3.456 -1.261) 4.461 3.601 ( -0.191 -2.109 2.443) 3.234 3.730 ( 1.257 2.146 3.258) 4.099 4.037 ( -0.681 6.037 -11.708) 13.190 4.084 ( -1.919 6.265 -8.905) 11.056 4.264 ( -1.544 3.491 1.034) 3.954 4.347 ( 5.915 4.975 -2.444) 8.106 4.365 ( -1.322 -4.628 0.557) 4.845 4.413 ( 0.761 -4.604 3.989) 6.139 4.551 ( -1.210 -1.255 3.304) 3.736 4.570 ( 3.235 -0.422 0.666) 3.330 4.665 ( -2.225 3.107 6.487) 7.529 4.687 ( -2.480 1.760 -5.870) 6.611 4.823 ( -1.634 -0.374 0.918) 1.911 4.994 ( -2.783 -2.098 2.935) 4.556 5.004 ( 1.050 -1.769 3.053) 3.681 5.161 ( 2.799 1.236 1.514) 3.414 5.219 ( -2.195 -2.455 -1.203) 3.506 5.418 ( 2.236 2.148 -4.355) 5.346 5.632 ( -0.552 2.703 9.448) 9.843 5.720 ( 1.518 -2.301 -2.702) 3.860 5.768 ( -0.835 0.969 -2.486) 2.796 5.925 ( -0.501 -3.723 1.593) 4.080 6.075 ( -0.555 -0.680 1.562) 1.792 6.980 ( 3.521 2.239 1.830) 4.556 7.147 ( 4.231 1.616 -2.732) 5.289 7.508 ( -2.729 0.691 2.775) 3.953 7.737 ( -2.065 -1.812 -1.627) 3.193 7.897 ( -3.311 1.159 1.662) 3.882 8.181 ( -0.982 -2.094 -1.723) 2.884 8.231 ( -3.163 -0.430 -0.646) 3.256 8.317 ( 0.169 0.939 1.870) 2.100 8.392 ( 2.669 3.866 -0.956) 4.794 8.461 ( 2.519 -0.674 0.768) 2.718 8.603 ( -1.883 -2.539 -2.949) 4.323 8.655 ( 2.936 -4.971 0.968) 5.854 8.721 ( -0.437 -0.876 -1.763) 2.017 8.786 ( -0.587 0.278 -1.629) 1.753 9.179 ( -1.618 1.480 -3.237) 3.910 9.385 ( 1.019 -2.579 3.251) 4.273 9.416 ( 0.376 0.907 -0.386) 1.055 9.507 ( 2.617 1.169 4.835) 5.621 10.031 ( -4.035 -1.151 0.972) 4.308 10.393 ( 1.697 5.179 10.180) 11.547 10.602 ( -3.295 -0.033 -13.713) 14.103 10.757 ( 5.680 0.534 -14.405) 15.494 10.915 ( 5.908 -2.641 8.740) 10.875 11.073 ( 1.320 2.786 -7.388) 8.006 11.907 ( -8.904 -1.502 15.664) 18.080 12.558 ( 1.157 -2.147 -2.921) 3.805 13.317 ( -0.678 -0.225 0.582) 0.921 13.370 ( -0.280 -0.264 -0.768) 0.859 14.248 ( -1.350 1.162 2.189) 2.822 14.426 ( -1.818 -0.459 -5.529) 5.838 14.482 ( -0.324 -2.055 3.202) 3.818 14.675 ( 3.245 2.695 -0.344) 4.232 20.812 ( -0.480 0.706 4.418) 4.500 21.063 ( -2.672 2.452 2.292) 4.290 21.309 ( -1.910 -3.422 -6.309) 7.427 21.566 ( 0.360 0.056 0.082) 0.373 21.577 ( 0.105 0.142 0.100) 0.203 22.108 ( 11.927 9.035 -7.582) 16.774 23.253 ( -1.374 -1.314 7.173) 7.420 23.467 ( -0.263 -0.140 1.837) 1.861 23.686 ( -3.497 -0.736 -6.630) 7.532 23.898 ( 0.776 -3.854 2.623) 4.726 24.058 ( -0.305 -1.148 2.752) 2.997 24.165 ( -1.596 -0.133 -1.249) 2.031 24.244 ( -4.113 -0.110 3.507) 5.406 24.330 ( -2.313 0.016 -1.170) 2.593 24.443 ( -1.990 -0.797 1.368) 2.543 24.474 ( 1.299 -2.878 -2.336) 3.927 24.563 ( -0.699 -4.325 0.037) 4.382 25.019 ( 9.763 7.836 -0.866) 12.549 ======================= Grid point 114 (52/93) ======================= q-point: (-0.38 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -21.480 -0.000 -6.217) 22.362 1.842 ( -24.327 -0.000 6.993) 25.312 2.207 ( 9.769 0.000 -4.460) 10.739 2.341 ( 11.680 0.000 8.337) 14.351 2.406 ( -15.800 -0.000 -13.179) 20.574 2.439 ( 14.390 0.000 17.186) 22.415 2.555 ( -0.367 -0.000 -6.886) 6.896 2.570 ( -9.665 -0.000 -2.991) 10.117 2.681 ( 4.721 0.000 -7.276) 8.673 2.802 ( 1.848 0.000 -7.269) 7.500 3.025 ( 5.686 0.000 6.191) 8.406 3.063 ( 1.156 0.000 -2.810) 3.038 3.236 ( 3.258 0.000 0.499) 3.296 3.254 ( -0.387 -0.000 -1.138) 1.202 3.396 ( -0.749 -0.000 3.939) 4.009 3.413 ( 4.747 0.000 1.688) 5.038 3.521 ( 2.430 0.000 2.764) 3.680 3.568 ( 1.403 0.000 -0.003) 1.403 3.655 ( 3.495 0.000 2.434) 4.259 4.001 ( 1.228 0.000 9.148) 9.230 4.121 ( 2.745 0.000 11.067) 11.403 4.211 ( -7.621 -0.000 -3.574) 8.417 4.314 ( 8.338 0.000 -9.422) 12.582 4.526 ( 2.994 0.000 0.651) 3.064 4.551 ( -0.580 -0.000 -1.158) 1.295 4.594 ( 0.153 0.000 -6.381) 6.383 4.620 ( -2.234 -0.000 -4.049) 4.625 4.657 ( -5.222 -0.000 7.759) 9.353 4.745 ( 0.604 0.000 9.477) 9.496 4.848 ( -3.703 -0.000 3.767) 5.282 4.874 ( -1.027 -0.000 -4.973) 5.078 4.965 ( -0.855 -0.000 -7.456) 7.505 5.082 ( 2.533 0.000 5.065) 5.663 5.225 ( -3.569 -0.000 -0.984) 3.702 5.543 ( 1.257 0.000 -12.134) 12.199 5.600 ( 1.932 0.000 1.764) 2.616 5.615 ( 3.798 0.000 4.481) 5.874 5.701 ( 1.058 0.000 -1.676) 1.982 6.037 ( 0.713 0.000 1.185) 1.383 6.060 ( -2.431 -0.000 -3.075) 3.920 7.138 ( 7.129 0.000 -0.618) 7.155 7.141 ( 8.242 0.000 1.159) 8.323 7.522 ( -4.028 -0.000 -0.653) 4.081 7.591 ( -2.504 -0.000 2.360) 3.441 7.964 ( -2.254 -0.000 2.793) 3.589 8.080 ( -3.746 -0.000 0.003) 3.746 8.282 ( -0.416 -0.000 -0.479) 0.634 8.288 ( -2.776 -0.000 0.348) 2.798 8.424 ( -6.218 -0.000 -0.196) 6.221 8.478 ( 6.545 0.000 -0.840) 6.599 8.485 ( 3.583 0.000 1.177) 3.771 8.558 ( -5.508 -0.000 -2.631) 6.104 8.715 ( -1.293 -0.000 2.394) 2.721 8.762 ( 1.752 0.000 -2.346) 2.928 9.249 ( -4.857 -0.000 5.094) 7.039 9.319 ( 0.264 0.000 -5.733) 5.739 9.496 ( 10.643 0.000 -0.434) 10.652 9.538 ( -2.460 -0.000 1.917) 3.119 10.019 ( -3.748 -0.000 -0.832) 3.839 10.474 ( 7.749 0.000 14.653) 16.576 10.673 ( -4.141 -0.000 5.459) 6.852 10.722 ( 0.095 0.000 -4.400) 4.401 10.730 ( 6.628 0.000 -20.684) 21.720 11.252 ( 1.796 0.000 -2.908) 3.418 11.915 ( -9.192 -0.000 8.864) 12.770 12.422 ( 0.816 0.000 -1.326) 1.557 13.308 ( -1.024 -0.000 0.604) 1.189 13.359 ( -0.602 -0.000 -0.623) 0.866 14.292 ( -2.084 -0.000 2.487) 3.245 14.381 ( 0.010 0.000 1.191) 1.192 14.503 ( -4.103 -0.000 -1.603) 4.405 14.694 ( 4.682 0.000 -0.278) 4.690 20.869 ( 0.964 0.000 1.007) 1.394 21.138 ( 0.280 0.000 -9.478) 9.482 21.278 ( -2.915 -0.000 12.583) 12.916 21.573 ( 0.084 0.000 -0.159) 0.180 21.578 ( 0.287 0.000 0.234) 0.370 22.172 ( 11.022 0.000 11.898) 16.219 23.171 ( -0.167 -0.000 2.333) 2.339 23.444 ( 0.541 0.000 -4.327) 4.360 23.737 ( -1.295 -0.000 -15.202) 15.257 23.808 ( -2.215 -0.000 1.050) 2.452 23.982 ( 0.961 0.000 4.179) 4.288 24.183 ( -5.634 -0.000 -10.655) 12.053 24.297 ( -3.784 -0.000 2.136) 4.345 24.355 ( -0.101 -0.000 0.138) 0.171 24.414 ( -1.042 -0.000 1.330) 1.690 24.431 ( -2.690 -0.000 0.324) 2.709 24.500 ( -4.837 -0.000 1.750) 5.144 25.157 ( 17.316 0.000 0.918) 17.341 ======================= Grid point 115 (53/93) ======================= q-point: (-0.25 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -23.381 -3.012 -3.164) 23.786 1.658 ( -25.761 -7.507 0.225) 26.834 2.156 ( -23.435 -9.253 -7.547) 26.302 2.329 ( 9.988 2.303 -0.496) 10.262 2.411 ( 1.022 1.588 -0.672) 2.004 2.531 ( 5.542 0.877 -13.860) 14.953 2.547 ( 2.756 -1.013 5.510) 6.243 2.573 ( 3.966 2.694 11.282) 12.258 2.797 ( 9.145 -1.751 5.472) 10.800 2.861 ( 5.111 -5.333 -4.495) 8.647 3.013 ( 2.961 5.986 2.517) 7.137 3.098 ( 4.204 1.025 -1.614) 4.619 3.184 ( -0.629 3.462 -3.483) 4.951 3.262 ( 1.900 1.977 -1.096) 2.953 3.416 ( 2.605 1.995 4.703) 5.734 3.451 ( 3.393 2.610 1.515) 4.541 3.494 ( 3.869 4.443 4.991) 7.721 3.613 ( 5.888 0.985 1.048) 6.061 3.704 ( 1.808 -2.188 -1.317) 3.129 4.079 ( 0.801 -4.982 5.703) 7.615 4.170 ( -6.221 -5.657 -1.798) 8.599 4.235 ( 0.799 -4.217 7.780) 8.885 4.305 ( 2.309 6.818 -8.068) 10.812 4.434 ( -3.620 3.798 1.487) 5.453 4.456 ( -2.792 6.173 -3.902) 7.818 4.555 ( -2.552 0.500 -3.587) 4.431 4.621 ( 5.556 1.273 -1.008) 5.789 4.697 ( -3.026 -2.723 3.795) 5.566 4.765 ( -1.087 1.296 4.119) 4.453 4.849 ( -5.277 -2.726 -1.573) 6.144 4.897 ( -1.337 -3.008 0.880) 3.408 4.914 ( 4.996 2.498 -0.981) 5.671 5.099 ( -4.970 -2.391 3.046) 6.300 5.215 ( 4.660 0.106 -4.419) 6.423 5.515 ( 3.401 1.337 -8.315) 9.082 5.629 ( 0.582 -1.242 1.990) 2.417 5.704 ( 1.857 0.050 -0.033) 1.858 5.725 ( 4.766 -3.638 3.732) 7.062 5.949 ( -4.145 6.259 -3.333) 8.214 6.046 ( -0.443 -0.281 1.406) 1.501 7.159 ( 8.774 5.413 0.736) 10.335 7.233 ( 8.871 1.464 -1.152) 9.065 7.488 ( -3.739 -0.904 0.847) 3.939 7.609 ( -3.844 -3.927 0.811) 5.555 7.926 ( -4.497 1.644 2.823) 5.558 8.080 ( -1.817 -2.824 -0.608) 3.413 8.243 ( -2.095 0.178 3.532) 4.110 8.297 ( -5.749 -2.332 -3.329) 7.040 8.407 ( -3.284 -5.170 1.436) 6.291 8.472 ( -3.994 -0.716 -3.119) 5.117 8.529 ( 1.452 1.276 -0.717) 2.062 8.539 ( 8.081 1.707 0.288) 8.264 8.708 ( -1.329 -0.088 1.649) 2.119 8.777 ( 0.771 -0.430 -1.698) 1.914 9.252 ( -3.317 -2.677 6.387) 7.679 9.263 ( -0.858 2.633 -7.740) 8.221 9.507 ( -1.333 2.096 3.398) 4.209 9.586 ( 9.752 1.873 -0.117) 9.931 9.981 ( -4.876 -0.666 0.969) 5.016 10.556 ( 1.103 3.578 10.596) 11.239 10.624 ( 1.522 1.140 -10.770) 10.937 10.736 ( 7.967 -1.430 -19.726) 21.322 10.783 ( 2.345 -4.166 11.859) 12.787 11.218 ( 1.258 3.702 -6.557) 7.634 11.864 ( -9.713 -0.731 12.648) 15.964 12.449 ( 0.176 -2.913 -1.672) 3.364 13.302 ( -1.142 -0.376 0.562) 1.327 13.354 ( -0.740 -0.393 -0.694) 1.088 14.277 ( -2.318 0.212 2.195) 3.199 14.390 ( -0.746 -0.801 -0.269) 1.127 14.451 ( -4.215 0.073 -0.570) 4.254 14.737 ( 5.080 0.630 -0.395) 5.135 20.868 ( 1.616 2.071 2.063) 3.340 21.134 ( -0.207 -2.182 -7.926) 8.223 21.242 ( -4.974 3.652 9.136) 11.025 21.572 ( 0.245 0.200 -0.011) 0.316 21.581 ( 0.186 0.066 0.095) 0.219 22.310 ( 12.547 1.646 1.868) 12.792 23.193 ( 0.029 -1.262 5.376) 5.522 23.446 ( 0.480 -1.039 -2.100) 2.392 23.669 ( -2.573 -0.276 -10.321) 10.641 23.804 ( -1.173 -1.375 1.226) 2.184 24.020 ( 0.657 -1.054 4.031) 4.218 24.115 ( -3.417 -1.703 -7.401) 8.328 24.250 ( -3.889 1.148 2.194) 4.610 24.365 ( -3.402 1.795 0.173) 3.850 24.388 ( -0.872 -2.611 0.717) 2.845 24.439 ( -1.302 -2.270 0.558) 2.675 24.457 ( -2.119 1.051 0.352) 2.392 25.286 ( 16.142 5.024 0.041) 16.906 ======================= Grid point 116 (54/93) ======================= q-point: (-0.12 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -16.964 -14.590 2.502) 22.515 1.634 ( -19.867 -17.574 -3.819) 26.798 2.149 ( -15.783 -13.052 0.163) 20.482 2.347 ( 4.219 3.863 1.728) 5.976 2.436 ( 6.066 -1.918 -6.897) 9.383 2.520 ( 3.927 -1.101 -14.350) 14.918 2.555 ( 2.582 6.765 1.593) 7.414 2.606 ( 1.651 2.457 13.076) 13.407 2.852 ( 3.881 4.963 1.054) 6.387 2.910 ( 5.293 4.240 2.626) 7.272 3.027 ( 0.358 1.021 -3.632) 3.790 3.061 ( 6.154 -0.227 6.945) 9.282 3.171 ( -0.272 -0.714 -4.161) 4.231 3.283 ( 4.724 -1.358 -1.714) 5.206 3.349 ( -0.036 4.625 4.729) 6.615 3.408 ( -1.510 3.064 1.373) 3.682 3.488 ( 5.969 7.177 1.622) 9.475 3.643 ( 1.890 2.628 4.515) 5.556 3.750 ( 1.969 -2.081 -3.528) 4.544 4.079 ( -2.634 8.971 -10.296) 13.907 4.152 ( -3.790 2.799 -7.697) 9.025 4.223 ( -6.122 -4.545 -0.274) 7.629 4.300 ( 0.845 -4.312 4.712) 6.443 4.332 ( -0.445 0.851 3.651) 3.775 4.457 ( 4.681 0.086 -3.029) 5.576 4.509 ( -1.727 -0.573 -3.878) 4.283 4.622 ( 0.225 1.148 1.491) 1.896 4.680 ( -2.911 2.575 2.370) 4.552 4.768 ( -2.397 -1.153 -3.519) 4.411 4.788 ( 3.100 4.000 5.208) 7.261 4.927 ( 0.176 -2.771 1.421) 3.119 4.994 ( -0.649 -3.849 7.318) 8.294 5.126 ( -2.779 -4.381 -0.009) 5.188 5.244 ( 4.864 2.641 0.536) 5.561 5.485 ( 3.936 3.748 -5.428) 7.682 5.670 ( 0.151 -2.411 1.351) 2.767 5.700 ( 1.314 1.025 0.866) 1.878 5.797 ( -2.428 4.511 -3.155) 6.016 5.864 ( 2.473 -4.233 2.948) 5.720 6.051 ( -1.465 -0.901 1.351) 2.187 7.122 ( 5.924 7.379 -0.240) 9.466 7.260 ( 7.878 4.405 -0.880) 9.069 7.475 ( -3.643 -1.128 0.839) 3.905 7.647 ( -3.199 -4.520 -0.018) 5.538 7.878 ( -3.445 -0.161 3.565) 4.961 8.101 ( -2.852 -2.790 -3.303) 5.179 8.226 ( -1.519 0.981 0.776) 1.968 8.301 ( -1.079 -2.874 2.622) 4.037 8.448 ( -2.875 -2.898 -4.483) 6.063 8.479 ( 0.425 -0.843 -0.073) 0.947 8.524 ( -0.972 -1.428 1.891) 2.562 8.601 ( 6.304 -1.646 -0.630) 6.546 8.706 ( -0.943 -0.324 1.147) 1.520 8.767 ( -0.994 0.499 -2.332) 2.584 9.163 ( -3.284 2.040 -6.780) 7.805 9.328 ( -1.240 -4.615 5.776) 7.497 9.472 ( -0.565 2.316 4.416) 5.019 9.622 ( 7.846 4.095 0.515) 8.865 9.956 ( -5.376 -1.739 2.082) 6.021 10.504 ( -2.180 1.131 -5.414) 5.945 10.568 ( 1.881 5.319 -0.333) 5.651 10.766 ( 7.906 -0.801 -17.674) 19.379 10.957 ( 6.429 -3.722 9.769) 12.272 11.116 ( 0.541 4.577 -7.729) 8.999 11.847 ( -9.525 -1.606 16.496) 19.116 12.503 ( 0.163 -3.696 -2.149) 4.278 13.302 ( -0.963 -0.644 0.550) 1.282 13.353 ( -0.566 -0.657 -0.773) 1.162 14.257 ( -1.961 0.548 2.422) 3.163 14.369 ( -3.064 -0.640 -4.492) 5.475 14.443 ( -2.131 -2.053 2.310) 3.754 14.762 ( 5.042 2.222 -1.117) 5.622 20.860 ( 1.795 1.930 4.181) 4.943 21.086 ( -3.278 2.919 0.461) 4.414 21.205 ( -3.447 -2.632 -2.852) 5.191 21.572 ( 0.274 0.149 0.072) 0.320 21.581 ( 0.135 0.106 0.035) 0.175 22.337 ( 11.877 6.894 -15.126) 20.430 23.255 ( 0.374 -1.435 8.600) 8.727 23.459 ( -0.488 -0.789 -0.127) 0.936 23.626 ( -3.005 -0.437 1.365) 3.330 23.852 ( 1.001 -3.640 2.325) 4.433 24.043 ( -0.435 -0.705 -0.229) 0.859 24.120 ( -1.278 -2.699 -0.721) 3.072 24.211 ( -3.692 0.020 3.166) 4.863 24.296 ( -3.211 1.026 -1.584) 3.725 24.405 ( -3.041 -0.847 1.467) 3.481 24.446 ( 0.331 -1.123 -1.070) 1.586 24.492 ( -0.159 -3.788 1.227) 3.985 25.299 ( 12.732 10.056 -0.841) 16.246 ======================= Grid point 123 (55/93) ======================= q-point: (-0.25 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -24.504 -0.000 -0.996) 24.524 1.267 ( -31.312 -0.000 -12.444) 33.694 1.734 ( -35.713 -0.000 11.889) 37.640 2.404 ( -1.549 -0.000 -9.011) 9.143 2.451 ( 2.502 0.000 -7.986) 8.369 2.487 ( 10.412 0.000 1.680) 10.546 2.640 ( 8.511 0.000 1.361) 8.620 2.733 ( 3.965 0.000 -2.832) 4.873 2.831 ( 8.749 0.000 2.176) 9.016 2.895 ( 6.623 0.000 11.672) 13.420 3.082 ( 3.668 0.000 -4.171) 5.554 3.174 ( 3.076 0.000 0.699) 3.154 3.238 ( 2.029 0.000 0.381) 2.065 3.324 ( 2.939 0.000 2.370) 3.776 3.450 ( 0.913 0.000 7.199) 7.257 3.520 ( 6.429 0.000 1.161) 6.533 3.617 ( 3.955 0.000 -2.470) 4.663 3.669 ( 1.732 0.000 0.041) 1.733 3.719 ( 7.282 0.000 -0.249) 7.287 4.026 ( -7.290 -0.000 -1.012) 7.360 4.038 ( -1.181 -0.000 5.389) 5.517 4.240 ( 0.812 0.000 8.403) 8.442 4.391 ( -6.713 -0.000 -5.882) 8.925 4.411 ( 6.368 0.000 -4.974) 8.081 4.488 ( -4.345 -0.000 -4.089) 5.966 4.521 ( -1.806 -0.000 2.725) 3.269 4.626 ( -1.823 -0.000 3.337) 3.802 4.696 ( 4.922 0.000 -5.555) 7.422 4.749 ( -8.739 -0.000 -5.711) 10.439 4.769 ( -3.379 -0.000 -0.282) 3.391 4.837 ( -0.905 -0.000 -5.176) 5.254 5.009 ( -7.421 -0.000 1.872) 7.653 5.025 ( 10.459 0.000 8.752) 13.637 5.257 ( 6.152 0.000 0.100) 6.152 5.547 ( 6.037 0.000 -5.322) 8.048 5.631 ( 0.379 0.000 1.833) 1.872 5.716 ( 1.229 0.000 -1.321) 1.804 5.770 ( 6.024 0.000 4.507) 7.524 5.949 ( -5.241 -0.000 -4.044) 6.620 6.045 ( -0.700 -0.000 1.923) 2.046 7.312 ( 10.460 0.000 -1.860) 10.624 7.332 ( 7.686 0.000 0.899) 7.739 7.445 ( -1.816 -0.000 -0.525) 1.890 7.542 ( -4.027 -0.000 2.101) 4.542 7.931 ( -2.787 -0.000 1.978) 3.417 8.027 ( -1.873 -0.000 -0.256) 1.890 8.188 ( -5.790 -0.000 -0.729) 5.835 8.234 ( -4.310 -0.000 3.151) 5.339 8.308 ( -6.072 -0.000 1.680) 6.300 8.380 ( -6.690 -0.000 -3.218) 7.423 8.556 ( 0.664 0.000 -2.243) 2.340 8.645 ( 7.847 0.000 0.445) 7.859 8.694 ( -1.779 -0.000 1.421) 2.277 8.796 ( 3.325 0.000 -0.662) 3.390 9.205 ( -4.125 -0.000 6.134) 7.392 9.253 ( -0.905 -0.000 -9.828) 9.870 9.525 ( -2.462 -0.000 7.229) 7.637 9.710 ( 10.698 0.000 -0.547) 10.712 9.940 ( -3.336 -0.000 1.181) 3.539 10.580 ( 1.490 0.000 -14.323) 14.400 10.599 ( -0.504 -0.000 -19.279) 19.286 10.777 ( -0.620 -0.000 12.656) 12.671 10.821 ( 12.604 0.000 6.931) 14.384 11.236 ( 1.107 0.000 -9.258) 9.324 11.816 ( -9.191 -0.000 16.955) 19.286 12.411 ( -0.917 -0.000 -1.124) 1.451 13.289 ( -1.126 -0.000 0.507) 1.235 13.340 ( -0.729 -0.000 -0.731) 1.032 14.259 ( -2.681 -0.000 1.868) 3.268 14.367 ( -2.151 -0.000 -1.961) 2.911 14.413 ( -3.438 -0.000 1.408) 3.715 14.785 ( 4.551 0.000 -2.668) 5.275 20.922 ( 3.012 0.000 1.469) 3.351 21.084 ( 0.429 0.000 -5.756) 5.772 21.274 ( -4.926 -0.000 7.274) 8.785 21.575 ( 0.237 0.000 -0.212) 0.318 21.584 ( 0.085 0.000 0.271) 0.284 22.403 ( 8.954 0.000 -17.938) 20.049 23.210 ( 1.215 0.000 6.827) 6.934 23.428 ( 0.599 0.000 -2.683) 2.749 23.624 ( -2.767 -0.000 4.910) 5.636 23.785 ( -0.587 -0.000 1.212) 1.346 24.042 ( 0.999 0.000 6.090) 6.171 24.046 ( -1.741 -0.000 -6.271) 6.509 24.233 ( -4.122 -0.000 3.576) 5.457 24.356 ( -0.221 -0.000 0.418) 0.473 24.369 ( -3.072 -0.000 0.465) 3.107 24.378 ( -3.301 -0.000 0.629) 3.360 24.455 ( -0.652 -0.000 1.024) 1.214 25.493 ( 15.518 0.000 -0.541) 15.527 ======================= Grid point 124 (56/93) ======================= q-point: (-0.12 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -20.212 -9.114 8.260) 23.660 1.061 ( -26.852 -17.315 -11.334) 33.901 1.628 ( -30.703 -18.701 20.638) 41.453 2.346 ( -1.540 -0.683 -9.546) 9.694 2.451 ( 2.648 -1.767 -15.388) 15.714 2.558 ( 11.590 5.183 -0.658) 12.714 2.691 ( 2.685 3.910 3.067) 5.648 2.754 ( 6.768 1.678 4.403) 8.247 2.933 ( 4.594 -1.778 2.429) 5.493 2.998 ( 4.948 0.971 1.020) 5.144 3.108 ( 2.668 -1.136 1.738) 3.381 3.163 ( 2.595 5.908 -1.055) 6.538 3.205 ( 4.219 4.577 3.998) 7.398 3.308 ( 1.939 1.865 -0.144) 2.695 3.451 ( -2.040 3.277 5.150) 6.436 3.506 ( 2.198 7.274 0.211) 7.601 3.650 ( -0.222 0.592 -1.972) 2.071 3.675 ( 6.933 0.534 -2.923) 7.542 3.759 ( 3.307 2.013 3.603) 5.288 4.003 ( -4.478 -5.167 -1.768) 7.062 4.130 ( -2.485 -3.006 0.564) 3.941 4.205 ( -1.250 6.733 -4.350) 8.113 4.301 ( -0.948 0.761 6.778) 6.886 4.370 ( -2.544 5.334 -2.489) 6.412 4.440 ( -0.259 -0.115 -8.712) 8.717 4.487 ( -0.311 0.876 -6.860) 6.923 4.603 ( -5.107 -1.474 -3.096) 6.151 4.664 ( -1.605 1.932 -1.571) 2.963 4.740 ( 2.336 -5.615 0.287) 6.088 4.801 ( -0.109 -1.925 -2.207) 2.931 4.832 ( -4.034 -7.669 -3.322) 9.280 4.985 ( -2.921 -2.907 3.210) 5.224 5.128 ( 8.198 5.235 9.691) 13.731 5.362 ( 8.010 1.572 11.583) 14.170 5.580 ( 7.322 2.455 -3.581) 8.512 5.648 ( 0.327 -0.852 1.130) 1.453 5.715 ( 0.365 0.117 -1.017) 1.086 5.804 ( -4.092 2.439 -1.320) 4.944 5.879 ( 2.157 -0.229 2.088) 3.011 6.044 ( -0.058 0.753 1.348) 1.545 7.307 ( 4.015 6.393 -1.665) 7.730 7.395 ( 5.449 1.156 -1.234) 5.705 7.450 ( 3.235 1.675 0.852) 3.741 7.542 ( -3.222 -3.337 1.239) 4.801 7.869 ( -3.802 2.074 3.291) 5.439 8.015 ( -2.848 -1.712 -5.289) 6.246 8.199 ( -2.438 -3.544 1.213) 4.469 8.230 ( -3.534 -4.044 4.337) 6.903 8.326 ( -4.212 -1.889 -2.466) 5.233 8.347 ( -3.470 -8.703 2.111) 9.604 8.536 ( -0.632 0.584 -2.417) 2.566 8.674 ( -2.278 -1.029 2.155) 3.301 8.707 ( 6.619 2.673 -1.199) 7.238 8.806 ( 3.060 2.674 -0.747) 4.132 9.147 ( -4.082 4.346 -9.066) 10.851 9.241 ( -3.113 -5.071 6.136) 8.548 9.512 ( -3.067 1.704 8.229) 8.946 9.777 ( 8.671 3.548 -0.621) 9.389 9.912 ( -2.591 0.621 1.917) 3.283 10.443 ( -2.706 0.536 -22.920) 23.086 10.609 ( 2.073 -4.156 -18.396) 18.973 10.789 ( 2.952 2.912 5.579) 6.951 11.007 ( 8.365 -1.990 4.758) 9.828 11.174 ( 1.556 3.360 -4.569) 5.881 11.819 ( -6.530 0.110 22.991) 23.900 12.428 ( -0.983 -3.359 -1.199) 3.699 13.285 ( -0.894 -0.462 0.517) 1.132 13.334 ( -0.522 -0.456 -0.788) 1.050 14.245 ( -2.275 -0.433 1.909) 3.001 14.319 ( -3.556 0.762 -3.639) 5.145 14.397 ( -3.022 -0.953 2.226) 3.873 14.814 ( 3.723 -0.742 -6.738) 7.734 20.937 ( 3.098 2.160 2.326) 4.435 21.084 ( -0.156 -0.581 -4.164) 4.207 21.168 ( -7.242 5.241 3.507) 9.603 21.576 ( 0.244 0.062 -0.082) 0.264 21.583 ( 0.010 0.115 0.111) 0.160 22.360 ( 3.128 -3.186 -46.150) 46.366 23.272 ( 1.983 -1.386 5.814) 6.297 23.434 ( -0.022 -0.942 -1.716) 1.957 23.670 ( 1.557 1.392 26.692) 26.774 23.813 ( 0.740 -2.599 1.639) 3.160 24.020 ( -0.246 -0.494 -3.736) 3.776 24.081 ( -0.521 -1.179 3.033) 3.295 24.208 ( -1.831 1.270 7.438) 7.765 24.298 ( -2.821 2.502 1.141) 3.939 24.369 ( -1.743 -0.745 0.764) 2.044 24.393 ( -3.290 -3.081 0.593) 4.546 24.475 ( 3.232 -0.204 6.298) 7.082 25.574 ( 12.420 6.751 -1.016) 14.173 ======================= Grid point 132 (57/93) ======================= q-point: (-0.12 -0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( -25.523 -0.000 2.568) 25.652 0.595 ( -18.639 -0.000 18.344) 26.152 1.206 ( -36.334 -0.000 37.704) 52.361 2.285 ( -0.936 -0.000 -10.324) 10.366 2.397 ( 2.354 0.000 -16.948) 17.111 2.747 ( 0.178 0.000 1.923) 1.931 2.753 ( 12.250 0.000 1.783) 12.380 2.820 ( 7.771 0.000 -0.047) 7.772 2.956 ( 1.153 0.000 -1.601) 1.973 3.062 ( -1.882 -0.000 2.601) 3.211 3.115 ( 6.634 0.000 0.227) 6.638 3.223 ( 2.649 0.000 2.873) 3.907 3.298 ( 2.060 0.000 -1.747) 2.701 3.356 ( 0.039 0.000 1.264) 1.265 3.501 ( -1.928 -0.000 1.822) 2.652 3.585 ( -0.017 -0.000 -2.014) 2.015 3.586 ( -3.067 -0.000 -3.017) 4.302 3.744 ( 4.727 0.000 2.619) 5.404 3.809 ( -1.876 -0.000 -1.871) 2.649 3.942 ( 1.284 0.000 0.346) 1.330 4.124 ( 4.183 0.000 4.190) 5.920 4.256 ( -1.701 -0.000 -2.832) 3.304 4.296 ( -0.423 -0.000 -1.126) 1.202 4.343 ( -3.129 -0.000 -7.635) 8.251 4.421 ( -7.894 -0.000 -13.857) 15.947 4.483 ( -2.264 -0.000 -4.692) 5.210 4.534 ( 1.924 0.000 4.227) 4.644 4.646 ( -7.949 -0.000 -14.231) 16.300 4.669 ( 1.019 0.000 0.278) 1.056 4.693 ( -2.655 -0.000 -2.472) 3.628 4.705 ( -1.026 -0.000 -5.214) 5.314 4.932 ( -2.016 -0.000 4.751) 5.161 5.376 ( 11.780 0.000 19.211) 22.535 5.550 ( 12.884 0.000 16.625) 21.033 5.639 ( -0.654 -0.000 1.274) 1.432 5.658 ( 6.641 0.000 -4.369) 7.950 5.763 ( 3.199 0.000 3.160) 4.497 5.836 ( -4.546 -0.000 4.319) 6.270 5.874 ( 9.938 0.000 11.715) 15.362 6.086 ( 3.943 0.000 1.520) 4.226 7.332 ( -2.548 -0.000 -0.669) 2.634 7.450 ( -0.701 -0.000 -2.260) 2.366 7.522 ( 6.299 0.000 0.552) 6.323 7.543 ( 6.089 0.000 1.065) 6.181 7.887 ( -2.096 -0.000 -1.156) 2.393 7.940 ( -3.820 -0.000 -8.314) 9.150 8.124 ( -7.704 -0.000 -0.248) 7.708 8.143 ( -2.311 -0.000 9.700) 9.972 8.200 ( -5.601 -0.000 0.441) 5.619 8.287 ( -1.402 -0.000 1.441) 2.011 8.519 ( -1.135 -0.000 -2.237) 2.509 8.635 ( -3.504 -0.000 0.951) 3.631 8.797 ( 5.913 0.000 -1.231) 6.040 8.859 ( 2.595 0.000 -2.012) 3.283 9.153 ( -0.355 -0.000 -9.806) 9.813 9.172 ( -4.202 -0.000 5.790) 7.154 9.545 ( -2.849 -0.000 11.690) 12.032 9.885 ( 6.025 0.000 -3.244) 6.843 9.919 ( 0.096 0.000 0.680) 0.687 10.097 ( -30.301 -0.000 -53.922) 61.853 10.508 ( 2.612 0.000 -15.573) 15.791 10.888 ( 0.869 0.000 14.722) 14.747 11.056 ( 3.350 0.000 -11.390) 11.873 11.244 ( 6.740 0.000 7.319) 9.950 11.948 ( 9.103 0.000 31.214) 32.514 12.378 ( -1.380 -0.000 -0.689) 1.543 13.275 ( -0.607 -0.000 0.567) 0.831 13.323 ( -0.258 -0.000 -0.735) 0.779 14.221 ( -2.232 -0.000 1.012) 2.451 14.291 ( -1.947 -0.000 -3.543) 4.043 14.376 ( -2.580 -0.000 2.282) 3.444 14.710 ( -9.995 -0.000 -21.476) 23.688 20.991 ( 2.581 0.000 0.277) 2.596 21.070 ( 1.379 0.000 -2.291) 2.674 21.214 ( -4.481 -0.000 2.693) 5.228 21.577 ( 0.079 0.000 -0.443) 0.450 21.585 ( -0.106 -0.000 0.149) 0.183 21.873 ( -31.735 -0.000 -71.378) 78.115 23.294 ( 1.674 0.000 2.359) 2.893 23.421 ( 0.218 0.000 -1.342) 1.360 23.802 ( 0.945 0.000 1.263) 1.577 23.860 ( 7.603 0.000 22.459) 23.711 24.006 ( 0.760 0.000 -2.112) 2.245 24.062 ( -2.539 -0.000 -1.129) 2.779 24.269 ( 1.417 0.000 6.376) 6.532 24.296 ( -4.110 -0.000 0.193) 4.114 24.330 ( -1.767 -0.000 1.161) 2.115 24.358 ( -0.140 -0.000 0.025) 0.142 24.741 ( 31.052 0.000 51.365) 60.022 25.744 ( 9.570 0.000 -0.795) 9.603 ======================= Grid point 133 (58/93) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -4.509 -0.000 31.500) 31.821 1.275 ( 1.028 0.000 30.786) 30.803 1.815 ( 0.401 0.000 -24.442) 24.445 1.837 ( 3.985 0.000 -27.825) 28.109 2.166 ( 3.441 0.000 52.944) 53.055 2.811 ( 2.560 0.000 2.226) 3.392 2.847 ( -4.226 -0.000 -1.348) 4.436 2.917 ( -4.384 -0.000 2.002) 4.820 2.961 ( 4.864 0.000 -1.619) 5.127 3.008 ( -0.905 -0.000 -1.390) 1.659 3.075 ( -1.060 -0.000 -4.515) 4.638 3.145 ( -1.388 -0.000 -43.430) 43.452 3.271 ( -1.618 -0.000 1.333) 2.096 3.317 ( 5.502 0.000 -1.288) 5.651 3.353 ( 0.533 0.000 -0.622) 0.819 3.393 ( -5.022 -0.000 -2.129) 5.454 3.623 ( 3.735 0.000 3.111) 4.861 3.626 ( -4.244 -0.000 2.011) 4.696 3.771 ( -4.873 -0.000 0.833) 4.943 3.777 ( 3.117 0.000 2.173) 3.800 4.058 ( 3.889 0.000 -3.622) 5.314 4.059 ( -2.258 -0.000 -2.077) 3.068 4.260 ( 3.618 0.000 3.098) 4.764 4.334 ( -2.204 -0.000 -2.981) 3.707 4.389 ( -7.588 -0.000 3.421) 8.324 4.468 ( 0.880 0.000 5.543) 5.613 4.487 ( 4.178 0.000 -2.806) 5.033 4.568 ( -2.468 -0.000 -3.992) 4.693 4.590 ( -2.761 -0.000 1.842) 3.320 4.677 ( 8.852 0.000 -4.930) 10.132 4.799 ( -3.865 -0.000 12.248) 12.844 5.008 ( 4.753 0.000 -6.897) 8.376 5.624 ( -2.476 -0.000 1.483) 2.886 5.670 ( 3.134 0.000 -3.078) 4.393 5.697 ( 4.210 0.000 0.650) 4.260 5.724 ( -5.945 -0.000 -1.095) 6.045 5.853 ( 1.414 0.000 6.864) 7.008 5.938 ( 0.141 0.000 -0.223) 0.264 6.353 ( -4.995 -0.000 20.150) 20.760 6.731 ( 4.433 0.000 -17.706) 18.252 7.337 ( 1.635 0.000 1.199) 2.028 7.369 ( -0.824 -0.000 -2.069) 2.227 7.606 ( 2.140 0.000 2.250) 3.106 7.652 ( -1.594 -0.000 1.502) 2.191 7.687 ( -2.219 -0.000 -1.148) 2.498 7.696 ( -0.694 -0.000 -5.695) 5.737 7.958 ( -1.826 -0.000 0.080) 1.828 7.971 ( 1.842 0.000 -1.389) 2.307 8.318 ( -2.289 -0.000 5.423) 5.886 8.356 ( 1.635 0.000 1.045) 1.940 8.490 ( -0.760 -0.000 -1.157) 1.384 8.511 ( 3.061 0.000 -2.120) 3.723 8.762 ( -0.816 -0.000 -1.157) 1.416 8.786 ( -0.349 -0.000 -2.782) 2.804 8.932 ( -0.659 -0.000 4.167) 4.219 9.013 ( 1.629 0.000 -4.387) 4.679 9.439 ( -3.537 -0.000 13.599) 14.051 9.665 ( 2.896 0.000 -7.447) 7.990 9.950 ( -3.242 -0.000 2.209) 3.923 9.968 ( 1.619 0.000 -0.185) 1.629 10.375 ( 2.387 0.000 7.145) 7.533 10.631 ( -1.329 -0.000 -16.591) 16.644 11.262 ( 0.552 0.000 10.015) 10.030 11.389 ( -0.624 -0.000 -2.973) 3.038 12.349 ( -1.721 -0.000 0.124) 1.725 12.353 ( 0.528 0.000 -0.287) 0.601 13.291 ( -0.221 -0.000 1.023) 1.047 13.309 ( 0.233 0.000 -0.823) 0.855 14.140 ( -0.943 -0.000 1.093) 1.443 14.183 ( 0.831 0.000 -3.173) 3.280 14.324 ( 1.173 0.000 2.474) 2.738 14.355 ( -0.839 -0.000 -0.763) 1.134 20.938 ( -0.986 -0.000 1.697) 1.963 20.974 ( -0.376 -0.000 -1.975) 2.010 21.129 ( 4.668 0.000 1.117) 4.800 21.146 ( -4.430 -0.000 -0.642) 4.477 21.582 ( 0.241 0.000 0.006) 0.241 21.582 ( -0.254 -0.000 -0.012) 0.255 23.358 ( -0.525 -0.000 2.100) 2.165 23.395 ( 0.666 0.000 -1.670) 1.799 23.859 ( 1.365 0.000 2.244) 2.627 23.908 ( -3.339 -0.000 -2.826) 4.374 24.042 ( 1.109 0.000 0.861) 1.404 24.056 ( 1.706 0.000 -0.448) 1.764 24.263 ( 0.739 0.000 0.668) 0.997 24.277 ( -1.034 -0.000 -0.787) 1.300 24.325 ( 0.590 0.000 0.766) 0.966 24.340 ( -0.520 -0.000 -0.752) 0.914 25.814 ( 0.776 0.000 0.565) 0.960 25.827 ( -0.229 -0.000 -0.711) 0.747 ======================= Grid point 134 (59/93) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -2.507 -0.955 28.252) 28.379 1.439 ( 1.656 -3.907 26.417) 26.756 1.687 ( 0.486 2.842 -27.028) 27.181 1.772 ( 2.133 -2.558 -25.796) 26.010 2.541 ( 8.001 -7.627 38.664) 40.213 2.748 ( -6.697 8.187 -1.386) 10.667 2.792 ( -0.940 2.648 -2.729) 3.917 2.853 ( 4.622 2.008 3.340) 6.046 2.899 ( -2.507 -1.704 -4.095) 5.094 3.026 ( 0.244 1.024 -7.704) 7.775 3.085 ( 2.498 -4.727 -4.070) 6.719 3.165 ( 3.838 -7.595 -17.939) 19.856 3.226 ( -0.665 3.053 1.585) 3.504 3.261 ( -0.611 4.485 -1.685) 4.830 3.384 ( -2.731 -1.640 -0.512) 3.227 3.428 ( 4.671 -1.572 0.378) 4.943 3.551 ( -4.149 2.688 -1.285) 5.107 3.628 ( 3.727 4.609 4.065) 7.187 3.740 ( -4.825 -1.335 -1.281) 5.168 3.809 ( 3.249 0.416 1.645) 3.665 4.053 ( -2.500 -4.016 0.286) 4.739 4.115 ( 1.203 -4.270 -2.279) 4.987 4.197 ( -6.984 6.103 -3.793) 10.020 4.321 ( 1.964 3.126 0.525) 3.729 4.335 ( -2.525 3.028 5.045) 6.402 4.431 ( -0.744 -2.024 0.237) 2.170 4.502 ( 2.714 2.972 -3.641) 5.427 4.560 ( 0.034 -1.449 2.280) 2.702 4.622 ( 3.246 -3.098 -1.594) 4.762 4.738 ( 3.849 -0.587 -3.414) 5.178 4.879 ( -2.481 -6.494 10.269) 12.401 5.077 ( 5.881 -5.044 -8.515) 11.512 5.572 ( -5.825 3.208 1.579) 6.835 5.638 ( 0.281 0.296 -0.096) 0.419 5.736 ( -0.981 -2.569 0.158) 2.754 5.798 ( 3.251 -2.577 0.974) 4.261 5.867 ( -0.035 1.562 2.918) 3.310 5.908 ( -0.004 1.547 -1.654) 2.265 6.066 ( -14.640 20.331 9.118) 26.661 6.189 ( -14.554 29.626 -2.590) 33.109 7.353 ( -0.327 -0.297 -1.252) 1.327 7.366 ( 2.044 -1.627 -0.032) 2.613 7.524 ( -5.747 6.272 -0.839) 8.549 7.577 ( -1.282 7.717 1.547) 7.974 7.717 ( 0.194 -5.008 3.921) 6.363 7.837 ( 5.167 -7.038 -5.540) 10.340 8.015 ( -3.336 -6.858 -0.781) 7.666 8.249 ( 15.962 -6.510 -0.064) 17.239 8.394 ( -0.521 -8.160 2.930) 8.686 8.464 ( 3.997 -4.263 -1.993) 6.175 8.507 ( 2.558 -3.404 2.397) 4.887 8.545 ( 2.250 -2.700 -5.551) 6.570 8.734 ( -4.144 0.562 1.407) 4.412 8.795 ( -0.711 2.625 -0.940) 2.877 8.963 ( -0.866 -1.695 -0.080) 1.905 9.116 ( 12.286 -10.461 -4.720) 16.813 9.497 ( -2.460 -3.388 12.520) 13.202 9.717 ( 3.890 -4.503 -10.351) 11.940 9.894 ( -4.703 2.412 1.694) 5.550 9.970 ( 1.834 -0.702 -0.029) 1.964 10.415 ( 0.660 1.508 9.852) 9.989 10.549 ( -0.507 0.388 -15.742) 15.755 11.245 ( -2.710 5.056 6.826) 8.917 11.319 ( -1.011 4.259 -2.739) 5.163 12.300 ( -4.879 1.620 4.664) 6.941 12.384 ( 1.428 -2.417 -1.360) 3.120 13.294 ( -0.234 -0.189 0.824) 0.878 13.310 ( 0.430 -0.259 -0.812) 0.954 14.164 ( 0.171 -1.741 1.515) 2.314 14.233 ( 3.874 -3.282 -2.685) 5.743 14.374 ( 0.685 -3.290 0.732) 3.440 14.429 ( 4.832 -5.224 -1.992) 7.389 20.932 ( -0.595 1.309 2.075) 2.524 20.994 ( 2.964 -1.223 -0.395) 3.230 21.159 ( -2.475 -5.407 -4.620) 7.530 21.211 ( 5.183 -3.461 0.694) 6.271 21.580 ( -0.221 0.025 0.033) 0.224 21.585 ( 0.226 -0.008 -0.030) 0.228 23.353 ( -2.409 0.102 1.468) 2.823 23.410 ( 1.512 -1.473 -1.084) 2.373 23.850 ( -2.462 1.401 0.711) 2.921 23.897 ( 1.322 -0.933 0.389) 1.664 24.065 ( 0.942 -0.825 -1.001) 1.603 24.076 ( 1.146 -1.377 -1.079) 2.091 24.270 ( 0.212 0.314 -0.714) 0.808 24.292 ( 2.742 -0.997 0.645) 2.988 24.353 ( 0.578 -1.963 0.779) 2.189 24.362 ( 0.722 -2.716 -0.395) 2.838 25.604 ( -9.224 16.726 8.417) 20.873 25.670 ( -7.325 12.117 -4.902) 14.984 ======================= Grid point 135 (60/93) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 2.052 -5.648 -3.828) 7.125 1.535 ( 0.349 -9.134 8.752) 12.655 1.710 ( 10.251 -3.604 -0.335) 10.871 1.815 ( 3.109 -8.617 -7.829) 12.050 2.475 ( -8.930 9.512 0.602) 13.061 2.679 ( 0.798 7.900 1.159) 8.024 2.760 ( 0.999 1.600 -1.564) 2.450 2.799 ( 1.167 5.609 -0.471) 5.748 2.930 ( -2.807 0.076 -2.629) 3.847 3.057 ( 0.016 -1.409 9.001) 9.111 3.124 ( -1.059 2.623 1.671) 3.285 3.194 ( 3.009 1.499 -0.260) 3.371 3.240 ( 3.048 -0.840 -0.434) 3.192 3.304 ( -1.534 -3.259 -1.273) 3.820 3.325 ( 1.525 -3.576 0.613) 3.935 3.428 ( -0.051 3.481 -0.070) 3.482 3.504 ( -0.526 -1.617 -3.036) 3.480 3.624 ( 0.519 0.306 1.333) 1.463 3.725 ( 0.474 -1.594 -4.911) 5.185 3.831 ( 1.751 1.751 2.683) 3.651 3.989 ( -5.336 7.199 -2.696) 9.358 4.061 ( -5.416 4.700 -3.059) 7.796 4.179 ( -1.262 -6.409 1.662) 6.740 4.276 ( 2.017 -7.396 -0.933) 7.722 4.371 ( -0.886 3.934 -0.108) 4.034 4.460 ( 8.823 0.787 -2.248) 9.139 4.491 ( -2.537 -2.222 -1.057) 3.534 4.602 ( 1.964 -3.037 4.035) 5.419 4.727 ( 5.190 -3.890 -1.694) 6.703 4.747 ( 1.321 1.472 0.973) 2.204 5.011 ( -2.637 -6.728 6.505) 9.723 5.197 ( 3.578 -4.190 -4.583) 7.167 5.435 ( -6.141 7.070 4.015) 10.189 5.522 ( -8.705 18.696 2.006) 20.721 5.632 ( -6.699 13.182 -2.157) 14.943 5.651 ( 1.376 0.434 0.456) 1.514 5.785 ( -5.637 2.690 -4.505) 7.701 5.830 ( -3.152 -4.336 -1.284) 5.512 5.867 ( 0.337 2.216 6.093) 6.492 5.981 ( 3.333 -3.152 -0.699) 4.640 7.274 ( -7.440 6.475 -2.222) 10.111 7.365 ( -2.600 3.619 -1.329) 4.650 7.433 ( -1.108 4.245 2.280) 4.944 7.492 ( 6.373 -3.971 1.438) 7.645 7.820 ( -0.419 -5.044 4.274) 6.625 7.978 ( 5.345 -4.821 -1.627) 7.379 8.087 ( -3.081 -5.546 -2.601) 6.857 8.396 ( 6.778 -0.948 3.806) 7.831 8.455 ( 0.289 0.913 -1.999) 2.217 8.511 ( 1.464 -0.276 -3.474) 3.780 8.619 ( 0.171 -1.796 -0.216) 1.817 8.647 ( 2.717 -0.294 -3.120) 4.147 8.658 ( -0.650 1.474 2.763) 3.199 8.739 ( 0.479 -1.092 -0.400) 1.258 8.998 ( -2.936 -5.075 -0.321) 5.871 9.379 ( 10.294 -2.243 -0.448) 10.545 9.578 ( -3.776 -2.225 6.505) 7.844 9.728 ( 0.429 1.707 -2.957) 3.441 9.851 ( -3.690 -5.415 3.023) 7.217 10.098 ( 6.607 -8.388 -7.061) 12.801 10.411 ( -0.952 0.936 5.200) 5.369 10.508 ( 2.223 0.267 -7.626) 7.948 11.095 ( -5.118 6.986 -2.011) 8.891 11.243 ( 1.048 4.954 3.016) 5.894 12.250 ( -5.875 0.670 7.171) 9.295 12.439 ( 2.258 -2.562 -3.342) 4.779 13.303 ( -0.035 -0.702 0.748) 1.027 13.323 ( 0.821 -0.837 -0.911) 1.485 14.205 ( 0.138 -2.155 1.279) 2.510 14.314 ( 3.977 -1.577 -0.592) 4.319 14.449 ( 0.456 -4.503 -2.388) 5.118 14.545 ( 3.806 -2.852 0.988) 4.858 20.918 ( -0.411 0.932 4.539) 4.652 21.046 ( 1.887 -1.235 2.300) 3.222 21.206 ( -0.849 -4.119 -7.689) 8.764 21.351 ( 6.169 -5.977 -1.017) 8.650 21.578 ( -0.159 0.015 0.093) 0.185 21.587 ( 0.340 -0.114 -0.324) 0.483 23.324 ( -3.324 0.030 0.546) 3.369 23.456 ( 1.220 -2.135 0.257) 2.472 23.807 ( -1.906 1.436 2.766) 3.653 23.935 ( 2.885 -0.499 0.834) 3.044 24.073 ( -1.414 -1.335 -2.423) 3.107 24.116 ( 1.973 -1.428 -1.454) 2.837 24.262 ( -0.224 0.099 -1.149) 1.175 24.359 ( 3.840 -2.681 0.632) 4.725 24.395 ( 0.382 -2.183 -0.340) 2.242 24.432 ( 1.838 -2.903 0.969) 3.570 25.238 ( -10.198 17.829 14.173) 24.955 25.282 ( -9.865 16.530 -12.466) 22.934 ======================= Grid point 136 (61/93) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 4.421 -15.641 -3.429) 16.611 1.845 ( 9.586 -12.013 6.705) 16.767 1.855 ( 8.972 -5.583 -11.635) 15.718 2.038 ( 3.590 -8.719 9.221) 13.189 2.233 ( -7.818 7.738 2.423) 11.264 2.543 ( 0.139 7.119 -0.159) 7.122 2.672 ( -2.837 4.971 -5.362) 7.843 2.690 ( -3.984 5.789 1.404) 7.166 2.860 ( -0.499 5.021 1.818) 5.364 3.004 ( 0.139 5.274 -7.148) 8.884 3.114 ( -0.779 1.729 4.023) 4.448 3.134 ( -3.809 3.748 -4.736) 7.141 3.220 ( 2.964 1.260 2.792) 4.263 3.244 ( -1.811 0.781 1.405) 2.421 3.360 ( -1.364 4.006 -0.630) 4.278 3.509 ( -0.902 -0.785 1.506) 1.923 3.543 ( -2.164 -3.868 5.068) 6.733 3.663 ( -2.128 -5.555 -2.894) 6.616 3.709 ( 2.131 0.431 -6.446) 6.802 3.828 ( -1.411 5.572 -4.883) 7.543 3.846 ( 2.737 -1.735 4.619) 5.643 4.003 ( 1.974 -2.587 -7.334) 8.023 4.162 ( -6.981 7.909 3.106) 10.997 4.303 ( 2.971 -2.081 0.945) 3.748 4.436 ( 2.362 -1.742 -4.373) 5.266 4.507 ( 2.865 -7.109 1.203) 7.759 4.607 ( 6.311 -3.531 0.330) 7.240 4.657 ( -0.443 0.024 2.453) 2.492 4.762 ( 1.397 -2.801 5.299) 6.155 4.861 ( 5.170 -4.961 0.497) 7.182 5.069 ( -5.345 0.690 2.731) 6.042 5.123 ( -5.648 5.979 -1.734) 8.406 5.208 ( -4.487 8.754 -0.409) 9.846 5.322 ( 0.104 5.351 2.636) 5.966 5.509 ( 1.253 0.406 2.141) 2.514 5.639 ( -2.029 1.538 -5.731) 6.271 5.711 ( -1.992 -2.008 1.691) 3.295 5.868 ( 0.665 1.184 3.097) 3.381 5.881 ( -1.370 -3.504 0.427) 3.786 6.048 ( 1.134 -2.457 -1.334) 3.017 7.080 ( -6.376 5.585 -0.735) 8.508 7.212 ( -2.615 6.892 -0.210) 7.374 7.447 ( -0.180 -2.459 -0.086) 2.467 7.653 ( 7.086 -4.716 1.598) 8.660 7.906 ( -0.442 -3.108 4.268) 5.298 8.084 ( 3.038 -2.041 -0.218) 3.666 8.124 ( -1.953 -4.100 -4.395) 6.320 8.395 ( -1.556 4.271 -0.783) 4.613 8.450 ( -2.202 3.342 0.359) 4.019 8.485 ( 4.049 -0.388 3.738) 5.524 8.582 ( 0.002 -0.870 -2.825) 2.956 8.652 ( 0.565 -0.125 -2.476) 2.543 8.698 ( 1.111 -0.655 0.381) 1.345 8.793 ( 3.546 -0.845 -2.244) 4.280 9.062 ( -2.096 -4.860 0.187) 5.296 9.410 ( 2.115 2.607 -0.771) 3.445 9.501 ( -4.625 4.689 1.223) 6.699 9.714 ( 1.680 1.202 4.451) 4.907 10.000 ( -2.060 -8.302 3.945) 9.420 10.224 ( 2.984 -3.512 -8.385) 9.568 10.453 ( 1.494 -4.064 -3.959) 5.867 10.511 ( 2.584 0.662 4.397) 5.143 10.933 ( -2.324 4.833 -6.574) 8.484 11.193 ( 1.268 3.502 4.018) 5.478 12.211 ( -5.932 0.556 8.023) 9.993 12.484 ( 2.370 -1.514 -4.224) 5.075 13.320 ( -0.022 -0.774 0.876) 1.170 13.342 ( 0.808 -0.720 -1.014) 1.483 14.247 ( 0.005 -1.880 1.486) 2.397 14.347 ( 1.141 0.381 -1.460) 1.891 14.515 ( 1.991 -3.071 -3.537) 5.090 14.604 ( 0.995 -0.352 3.665) 3.814 20.929 ( 0.726 0.448 6.300) 6.357 21.080 ( -0.669 -0.759 1.646) 1.932 21.221 ( -0.693 -1.329 -4.126) 4.390 21.508 ( 4.855 -5.268 -3.313) 7.893 21.577 ( -0.029 0.028 0.062) 0.074 21.604 ( 2.127 -1.989 -2.748) 4.004 23.297 ( -2.778 -0.332 0.050) 2.798 23.500 ( -0.013 -1.660 1.307) 2.113 23.796 ( -0.432 0.449 7.587) 7.613 23.975 ( 4.315 0.563 1.100) 4.489 24.063 ( -2.818 -1.135 -3.045) 4.301 24.138 ( 0.942 -0.109 -2.581) 2.750 24.254 ( -0.806 -0.294 -1.414) 1.654 24.421 ( 0.546 -0.592 0.082) 0.810 24.460 ( 2.940 -3.432 -1.034) 4.636 24.487 ( 1.205 -0.842 0.654) 1.609 24.895 ( -6.490 10.498 -12.172) 17.334 24.927 ( -7.551 12.851 11.489) 18.819 ======================= Grid point 137 (62/93) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -4.424 10.928 4.824) 12.739 1.942 ( 1.166 -3.770 -3.099) 5.017 2.037 ( 1.211 -4.965 -6.978) 8.649 2.176 ( 8.591 -6.821 -3.157) 11.415 2.294 ( 2.512 -6.953 5.869) 9.439 2.470 ( -1.066 5.894 6.221) 8.635 2.536 ( 0.312 1.204 -1.832) 2.215 2.551 ( -3.608 0.322 -2.106) 4.190 2.806 ( 2.007 2.336 3.316) 4.526 2.890 ( -2.406 1.120 -6.687) 7.194 3.029 ( 0.522 1.264 -3.983) 4.211 3.129 ( -0.081 -1.273 -1.028) 1.639 3.230 ( -0.975 -0.227 0.398) 1.077 3.255 ( 2.506 0.343 3.383) 4.224 3.276 ( -3.592 1.557 1.362) 4.145 3.506 ( -0.789 1.119 5.969) 6.124 3.525 ( -0.131 3.978 5.900) 7.117 3.671 ( -3.576 -0.373 -9.267) 9.940 3.698 ( -3.317 0.117 -1.410) 3.606 3.752 ( 4.383 -0.980 -8.400) 9.526 3.874 ( -1.909 3.393 9.618) 10.376 4.101 ( 2.183 -4.372 -8.331) 9.658 4.135 ( 3.072 -10.164 1.057) 10.670 4.259 ( -1.164 3.579 -6.904) 7.863 4.476 ( 0.613 0.791 -1.846) 2.099 4.609 ( 0.143 0.518 2.418) 2.477 4.683 ( 0.813 -0.908 2.029) 2.366 4.718 ( 3.435 -1.314 2.973) 4.729 4.837 ( -2.671 -1.227 7.441) 8.000 4.869 ( -1.747 2.949 -0.543) 3.471 5.023 ( 2.588 -2.074 -2.875) 4.389 5.039 ( -2.331 4.002 -1.615) 4.905 5.089 ( -0.590 -2.171 1.502) 2.705 5.281 ( 2.384 1.790 2.389) 3.820 5.525 ( 2.424 1.947 3.140) 4.418 5.579 ( -4.905 -1.216 -4.948) 7.073 5.749 ( 1.191 0.153 2.659) 2.917 5.854 ( 0.152 2.176 4.396) 4.908 5.919 ( -1.666 -2.283 -0.196) 2.833 6.072 ( -0.581 -0.580 -2.032) 2.191 6.984 ( -2.108 -0.060 0.764) 2.243 7.135 ( 1.620 0.308 -0.916) 1.887 7.471 ( -1.425 -0.841 -0.233) 1.671 7.759 ( 3.033 0.241 0.198) 3.049 7.948 ( 0.416 -0.360 3.355) 3.400 8.102 ( 0.499 -0.684 -3.139) 3.251 8.148 ( -2.110 0.090 -1.740) 2.736 8.327 ( -0.184 -0.676 -0.191) 0.726 8.427 ( 0.627 -0.206 2.585) 2.668 8.527 ( 1.128 -0.224 0.298) 1.188 8.563 ( 0.785 2.973 -0.416) 3.103 8.656 ( -0.428 -1.274 -4.193) 4.403 8.704 ( -0.774 -0.185 0.575) 0.982 8.800 ( 0.450 1.779 -0.309) 1.861 9.105 ( -0.903 -0.819 -0.010) 1.219 9.383 ( -1.605 0.618 -0.340) 1.753 9.427 ( 1.062 -0.425 0.149) 1.154 9.732 ( 1.692 1.362 5.371) 5.794 10.068 ( -4.341 -1.648 4.499) 6.466 10.240 ( 0.774 -0.101 -7.842) 7.880 10.476 ( 2.919 -0.416 -10.324) 10.736 10.599 ( 1.278 -3.788 11.070) 11.770 10.834 ( 0.203 2.201 -10.306) 10.540 11.185 ( 1.381 0.759 3.412) 3.758 12.178 ( -4.938 0.848 9.780) 10.988 12.502 ( 1.857 0.020 -4.307) 4.691 13.330 ( -0.370 -0.114 0.941) 1.018 13.350 ( 0.412 0.078 -1.088) 1.166 14.280 ( -0.333 -1.352 1.816) 2.289 14.325 ( -0.284 1.448 -1.925) 2.425 14.540 ( -0.715 0.854 -0.796) 1.369 14.638 ( 1.974 -1.851 0.047) 2.707 20.964 ( 2.029 0.209 6.781) 7.081 21.069 ( -1.864 0.177 -2.147) 2.849 21.206 ( -2.654 0.745 2.122) 3.479 21.564 ( 0.593 -0.651 -0.613) 1.073 21.577 ( 0.100 -0.056 -0.075) 0.138 21.690 ( 5.094 -5.015 -14.011) 15.729 23.284 ( -1.084 -0.475 -0.095) 1.188 23.518 ( -1.115 -0.325 1.687) 2.048 23.854 ( 1.489 -1.919 13.551) 13.767 24.007 ( 5.118 1.927 2.006) 5.825 24.026 ( -3.264 0.553 -4.509) 5.593 24.110 ( -1.744 1.033 -5.103) 5.491 24.242 ( -0.935 -0.105 -1.347) 1.643 24.405 ( -0.383 2.535 0.108) 2.566 24.464 ( -0.334 1.198 -1.811) 2.197 24.498 ( -1.490 0.581 2.653) 3.097 24.692 ( -4.386 7.470 6.462) 10.807 24.870 ( 4.685 -7.673 -5.601) 10.593 ======================= Grid point 138 (63/93) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -7.804 14.542 12.744) 20.851 1.677 ( -9.831 20.295 -4.321) 22.960 2.037 ( -4.034 1.608 -13.132) 13.832 2.274 ( 4.994 1.236 -11.558) 12.651 2.323 ( 3.615 -0.734 -6.719) 7.665 2.483 ( 2.460 -3.197 7.806) 8.787 2.544 ( -1.025 -3.691 6.705) 7.722 2.777 ( 3.613 -9.561 -3.537) 10.815 2.851 ( 0.334 -4.214 6.527) 7.776 2.880 ( 0.533 -3.273 1.577) 3.672 3.020 ( 0.582 1.968 2.389) 3.149 3.176 ( 0.505 -4.261 -2.106) 4.780 3.215 ( 0.085 -1.602 1.030) 1.906 3.262 ( 0.184 0.169 1.766) 1.784 3.308 ( -1.509 -4.128 3.541) 5.644 3.444 ( 1.975 5.635 3.686) 7.017 3.537 ( 4.184 1.680 8.420) 9.552 3.610 ( 0.373 -0.303 -3.241) 3.276 3.738 ( -2.824 -7.016 -4.295) 8.698 3.814 ( 0.978 -7.117 -4.598) 8.530 3.865 ( -0.730 -0.046 5.790) 5.836 4.068 ( -0.795 3.852 -14.643) 15.162 4.264 ( 3.996 -4.333 -4.999) 7.729 4.342 ( 1.609 -6.181 0.716) 6.427 4.371 ( -1.529 4.985 -2.831) 5.933 4.526 ( -3.390 6.761 0.352) 7.572 4.633 ( -6.934 4.539 -1.603) 8.441 4.678 ( -1.746 0.097 0.879) 1.957 4.800 ( -1.695 3.326 3.410) 5.056 4.900 ( -1.711 4.710 -5.036) 7.105 5.009 ( 0.498 -3.187 4.741) 5.734 5.075 ( 6.875 -5.095 3.635) 9.297 5.236 ( 3.718 -7.751 -0.794) 8.633 5.324 ( 4.908 0.129 4.550) 6.693 5.488 ( -2.629 2.828 4.242) 5.736 5.569 ( 0.981 -2.553 -2.090) 3.442 5.729 ( 0.768 2.730 -1.249) 3.098 5.837 ( -0.751 1.598 3.646) 4.051 5.933 ( -0.790 -1.000 1.216) 1.762 6.042 ( -1.755 1.425 -2.175) 3.137 7.050 ( 2.888 -5.901 1.806) 6.813 7.223 ( 4.984 -6.005 -0.988) 7.866 7.446 ( -2.019 1.015 -0.457) 2.305 7.698 ( -2.225 5.611 -1.974) 6.351 7.950 ( -0.434 1.877 0.604) 2.019 8.066 ( -0.906 3.541 0.628) 3.709 8.126 ( -0.433 -0.670 -4.200) 4.275 8.383 ( 0.436 -2.928 0.609) 3.022 8.466 ( 1.190 0.309 -1.493) 1.934 8.491 ( 1.128 2.127 4.576) 5.171 8.552 ( 0.770 -0.807 -1.309) 1.720 8.654 ( -2.076 -1.447 -2.730) 3.722 8.680 ( -2.931 1.696 1.738) 3.806 8.758 ( -0.755 1.979 1.256) 2.463 9.065 ( -0.403 3.662 -0.350) 3.701 9.387 ( -1.827 -2.279 1.318) 3.205 9.513 ( 3.787 -5.053 0.102) 6.316 9.735 ( 1.309 2.073 3.576) 4.336 10.017 ( -6.037 2.670 2.968) 7.238 10.194 ( 0.686 2.857 -5.727) 6.437 10.450 ( 1.923 2.477 -10.754) 11.202 10.729 ( 1.390 -3.338 -2.800) 4.573 10.779 ( 0.883 -2.455 -0.260) 2.622 11.217 ( 1.179 -1.737 2.006) 2.904 12.167 ( -2.791 0.633 12.071) 12.406 12.486 ( 1.012 1.646 -3.898) 4.351 13.323 ( -0.732 0.670 0.911) 1.347 13.340 ( 0.022 0.793 -1.103) 1.358 14.274 ( -1.517 1.363 -1.837) 2.744 14.311 ( 0.156 -0.026 2.686) 2.691 14.483 ( -3.242 2.579 0.160) 4.146 14.684 ( 1.881 -1.175 -4.390) 4.919 21.011 ( 2.527 0.018 5.085) 5.679 21.033 ( -0.836 0.920 -2.452) 2.749 21.156 ( -5.512 1.573 3.679) 6.811 21.572 ( 0.288 -0.192 -0.215) 0.407 21.579 ( 0.158 -0.091 -0.355) 0.399 21.706 ( 1.754 -0.366 -22.614) 22.685 23.292 ( 1.143 -0.416 0.287) 1.250 23.500 ( -1.799 1.349 1.251) 2.573 23.940 ( -1.570 3.222 -5.791) 6.810 23.971 ( 2.762 -1.668 10.799) 11.271 24.024 ( 1.688 1.393 0.239) 2.201 24.061 ( -2.099 -0.198 -1.045) 2.353 24.237 ( 0.363 0.001 -0.120) 0.383 24.392 ( 0.195 0.201 4.875) 4.883 24.431 ( -2.717 2.310 1.349) 3.812 24.468 ( -2.304 0.049 2.849) 3.664 24.633 ( 1.735 -0.606 9.863) 10.033 25.113 ( 8.341 -13.823 -6.777) 17.509 ======================= Grid point 139 (64/93) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -7.818 17.965 9.762) 21.889 1.350 ( -6.665 12.003 20.743) 24.875 1.914 ( -0.445 0.364 -21.847) 21.855 2.122 ( 0.747 6.364 -18.053) 19.156 2.416 ( -7.307 11.112 21.942) 25.658 2.527 ( 7.181 -4.924 4.160) 9.650 2.652 ( 0.895 -7.847 2.755) 8.365 2.820 ( -2.475 -4.397 -3.615) 6.207 2.951 ( 1.616 -1.716 -2.091) 3.151 3.009 ( -0.185 -4.863 1.224) 5.019 3.039 ( 1.465 -3.266 6.040) 7.021 3.207 ( -1.880 0.369 0.969) 2.147 3.268 ( 1.954 -1.226 -3.676) 4.340 3.316 ( 5.139 -2.565 1.516) 5.940 3.382 ( -1.936 -5.122 2.080) 5.858 3.451 ( 1.778 -2.467 -1.239) 3.283 3.592 ( 0.047 -0.979 4.224) 4.336 3.617 ( 1.163 -0.316 -3.208) 3.427 3.770 ( -3.156 -0.655 -12.849) 13.247 3.896 ( -1.426 -1.222 -2.428) 3.070 3.982 ( 3.191 -5.162 -2.640) 6.618 3.992 ( 3.842 -7.797 -0.944) 8.743 4.184 ( -0.977 5.856 2.377) 6.395 4.316 ( -3.836 6.733 -6.540) 10.140 4.385 ( 2.375 3.326 -1.925) 4.518 4.457 ( 3.701 1.465 3.200) 5.107 4.511 ( -6.365 -5.438 -4.872) 9.686 4.663 ( -3.562 2.178 2.624) 4.931 4.702 ( -4.160 4.366 -4.228) 7.365 4.783 ( -1.260 3.130 -3.601) 4.935 4.996 ( 0.359 5.322 5.032) 7.333 5.181 ( -2.531 9.047 1.004) 9.448 5.388 ( 8.076 -13.331 9.852) 18.439 5.504 ( 7.954 -10.843 2.303) 13.644 5.567 ( 4.713 -7.896 4.006) 10.031 5.655 ( 2.701 -5.559 2.655) 6.727 5.701 ( 1.913 -0.131 -0.917) 2.125 5.798 ( -0.555 3.601 2.461) 4.397 5.947 ( -1.242 0.375 1.860) 2.268 5.992 ( -1.120 -0.689 -4.134) 4.338 7.218 ( 4.375 -6.533 2.331) 8.201 7.370 ( 3.600 -3.636 -1.178) 5.250 7.444 ( 1.251 -4.020 0.158) 4.213 7.555 ( -3.747 4.583 -3.336) 6.795 7.869 ( -3.927 4.058 -0.788) 5.702 8.013 ( 2.377 4.918 -0.538) 5.489 8.070 ( -2.822 2.518 -5.183) 6.416 8.394 ( -1.621 3.866 3.755) 5.629 8.422 ( -0.130 0.375 2.020) 2.059 8.494 ( -0.523 1.369 -1.195) 1.891 8.547 ( -6.236 6.885 5.527) 10.809 8.626 ( 1.608 -3.615 -2.243) 4.548 8.691 ( 0.927 -1.433 -0.459) 1.767 8.758 ( 0.647 -3.287 -1.100) 3.526 8.993 ( 0.660 4.449 0.030) 4.498 9.377 ( -6.490 1.472 1.413) 6.803 9.603 ( -0.132 0.670 2.912) 2.991 9.740 ( 2.609 -1.628 -3.025) 4.314 9.916 ( -2.540 2.750 -3.040) 4.822 10.086 ( -1.710 8.299 -3.496) 9.166 10.348 ( 0.415 3.861 -6.524) 7.593 10.709 ( -0.219 -2.428 -14.609) 14.811 10.958 ( 3.971 -7.678 10.429) 13.546 11.281 ( 1.078 -3.561 0.656) 3.778 12.203 ( 0.272 -1.001 12.120) 12.165 12.438 ( 0.139 2.795 -2.885) 4.019 13.305 ( -0.714 0.806 0.863) 1.380 13.320 ( -0.029 0.816 -0.997) 1.288 14.222 ( -1.881 1.715 -1.146) 2.791 14.309 ( -0.587 1.467 1.664) 2.294 14.403 ( -3.831 2.359 0.555) 4.533 14.647 ( -1.177 3.832 -8.422) 9.327 21.000 ( -0.789 0.113 -3.418) 3.510 21.058 ( 3.965 1.027 4.758) 6.278 21.077 ( -7.436 1.066 1.682) 7.698 21.544 ( -1.741 6.041 -20.458) 21.402 21.578 ( 0.004 -0.077 -0.069) 0.103 21.588 ( -0.763 0.679 -2.459) 2.663 23.321 ( 2.533 -0.382 0.827) 2.692 23.452 ( -1.868 2.193 0.521) 2.927 23.867 ( -0.198 1.938 -2.993) 3.571 23.990 ( -2.588 -0.141 -4.144) 4.888 24.023 ( 2.829 1.195 2.957) 4.263 24.060 ( -0.274 1.147 4.321) 4.479 24.244 ( 0.365 -0.300 0.503) 0.690 24.356 ( -3.085 2.188 0.832) 3.873 24.389 ( -0.656 1.559 0.728) 1.842 24.436 ( -2.436 2.445 0.828) 3.549 24.930 ( 10.794 -17.493 24.644) 32.091 25.424 ( 8.586 -14.550 -6.174) 17.988 ======================= Grid point 140 (65/93) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 1.617 0.604 30.031) 30.081 1.231 ( -4.277 6.257 28.510) 29.501 1.856 ( 3.083 -2.252 -25.491) 25.776 1.957 ( 0.082 3.646 -23.717) 23.996 2.172 ( -8.822 16.467 43.987) 47.790 2.732 ( 5.019 -6.098 1.390) 8.019 2.807 ( 5.837 -5.778 1.038) 8.279 2.858 ( -2.922 -3.625 -2.112) 5.113 2.948 ( -3.096 -0.912 -2.891) 4.333 3.031 ( -0.340 0.769 0.628) 1.050 3.142 ( -2.900 2.451 -3.303) 5.033 3.175 ( 2.271 -5.920 3.326) 7.160 3.289 ( 2.270 -0.354 -5.851) 6.286 3.362 ( 0.094 0.478 0.159) 0.513 3.432 ( -7.396 0.815 -15.514) 17.206 3.461 ( -1.914 1.823 -13.916) 14.165 3.531 ( 2.788 -3.425 0.539) 4.449 3.648 ( 1.032 1.767 0.565) 2.122 3.719 ( -1.236 -3.848 -0.629) 4.090 3.834 ( -2.770 2.276 -1.128) 3.759 4.061 ( -0.641 1.666 3.118) 3.593 4.111 ( 2.555 2.715 -4.793) 6.073 4.185 ( 2.806 -3.863 -1.832) 5.114 4.299 ( 2.771 -6.297 5.014) 8.513 4.327 ( 0.691 -3.865 -1.060) 4.067 4.468 ( 1.769 2.671 0.279) 3.216 4.538 ( -4.538 4.016 -0.302) 6.067 4.550 ( -2.200 -2.275 -5.518) 6.361 4.623 ( -1.606 0.749 2.294) 2.899 4.702 ( -0.279 4.569 -1.804) 4.920 4.879 ( -3.362 8.226 8.779) 12.491 5.038 ( 2.381 5.415 -3.358) 6.802 5.602 ( 4.408 -2.267 -2.386) 5.501 5.650 ( -0.785 -1.159 -1.303) 1.912 5.702 ( -0.561 1.231 4.445) 4.646 5.772 ( 4.203 -1.714 6.253) 7.727 5.791 ( 1.115 -2.217 5.430) 5.970 5.903 ( -0.833 -0.736 2.694) 2.914 6.093 ( 3.555 -14.699 3.784) 15.589 6.161 ( 18.889 -30.318 2.033) 35.779 7.311 ( 0.976 -1.174 1.487) 2.131 7.402 ( -0.956 2.379 -2.700) 3.724 7.509 ( 3.597 -5.346 0.681) 6.480 7.594 ( 1.994 -5.856 0.010) 6.186 7.756 ( -5.073 3.103 -0.020) 5.947 7.876 ( -2.149 7.986 -8.673) 11.984 8.005 ( 2.221 4.289 0.042) 4.830 8.247 ( -11.934 9.038 -0.406) 14.975 8.382 ( -1.923 6.250 7.656) 10.069 8.411 ( 0.555 4.586 1.011) 4.729 8.476 ( 0.281 -0.515 -1.156) 1.297 8.577 ( -2.836 4.061 -2.978) 5.780 8.776 ( 3.108 -2.632 -2.161) 4.610 8.813 ( 0.599 -0.236 -2.945) 3.014 8.942 ( -1.559 0.691 1.693) 2.403 9.154 ( -10.941 11.220 -7.810) 17.510 9.498 ( -7.121 6.196 9.282) 13.238 9.713 ( 3.388 5.124 -8.447) 10.444 9.913 ( 3.689 -2.256 -0.328) 4.337 9.964 ( -3.470 0.262 2.670) 4.386 10.329 ( 2.469 0.194 2.287) 3.371 10.688 ( -0.459 -1.866 -15.923) 16.038 11.156 ( 2.785 -5.536 10.619) 12.295 11.356 ( 1.037 -3.564 -1.182) 3.896 12.297 ( 2.431 -3.276 5.838) 7.122 12.380 ( -0.310 2.443 -1.322) 2.795 13.292 ( -0.394 0.336 0.924) 1.059 13.309 ( 0.267 0.161 -0.744) 0.806 14.173 ( -2.283 1.222 -0.035) 2.590 14.250 ( -1.909 3.519 -3.160) 5.101 14.342 ( -2.177 1.717 2.179) 3.527 14.468 ( -4.031 8.388 -5.297) 10.708 20.982 ( -1.652 0.121 -2.936) 3.371 20.992 ( -5.818 0.435 0.229) 5.839 21.093 ( 4.156 1.163 2.094) 4.797 21.289 ( -4.762 9.012 -8.859) 13.505 21.580 ( 0.197 0.010 -0.007) 0.197 21.584 ( -0.202 -0.070 0.016) 0.215 23.352 ( 1.365 0.077 1.697) 2.179 23.405 ( -0.508 1.286 -0.832) 1.614 23.845 ( 0.907 0.648 0.404) 1.186 23.951 ( -3.399 -0.500 -3.820) 5.138 24.035 ( 2.232 1.234 1.485) 2.951 24.049 ( 0.556 1.135 2.047) 2.406 24.256 ( -0.235 -0.616 0.537) 0.850 24.303 ( -2.314 0.846 -0.335) 2.487 24.348 ( -1.176 2.242 0.618) 2.606 24.370 ( -0.729 2.455 -0.458) 2.602 25.506 ( 12.966 -21.130 14.233) 28.586 25.704 ( 5.973 -10.392 -3.156) 12.395 ======================= Grid point 142 (66/93) ======================= q-point: ( 0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -3.731 -0.000 27.156) 27.411 1.542 ( 3.429 0.000 10.661) 11.199 1.617 ( -3.153 -0.000 -16.512) 16.810 1.644 ( 3.756 0.000 -24.795) 25.078 2.717 ( 1.331 0.000 14.897) 14.956 2.751 ( -10.514 -0.000 -0.228) 10.517 2.800 ( 4.799 0.000 -20.549) 21.101 2.841 ( 10.185 0.000 28.370) 30.143 2.921 ( -2.876 -0.000 -0.977) 3.037 2.965 ( 9.865 0.000 -13.661) 16.850 3.105 ( 4.082 0.000 -1.300) 4.284 3.135 ( 6.236 0.000 -2.452) 6.701 3.238 ( -1.827 -0.000 -2.089) 2.775 3.302 ( -1.524 -0.000 -0.089) 1.526 3.327 ( -1.716 -0.000 1.462) 2.255 3.482 ( 5.056 0.000 1.847) 5.383 3.540 ( -4.264 -0.000 1.056) 4.393 3.623 ( -7.403 -0.000 -4.936) 8.898 3.761 ( 4.588 0.000 7.983) 9.208 3.809 ( -3.222 -0.000 1.461) 3.537 3.990 ( 0.653 0.000 -0.138) 0.668 4.088 ( 2.574 0.000 -2.267) 3.430 4.189 ( -8.744 -0.000 0.745) 8.776 4.343 ( -7.637 -0.000 -5.123) 9.196 4.359 ( -5.831 -0.000 7.184) 9.253 4.362 ( 3.221 0.000 0.881) 3.340 4.552 ( 3.593 0.000 -2.711) 4.501 4.596 ( 4.618 0.000 4.443) 6.409 4.630 ( 5.657 0.000 -3.719) 6.770 4.735 ( 1.854 0.000 -6.153) 6.426 4.859 ( 1.358 0.000 9.937) 10.030 5.056 ( 8.118 0.000 -13.043) 15.363 5.529 ( -6.812 -0.000 -0.032) 6.812 5.678 ( 0.452 0.000 1.792) 1.848 5.681 ( -0.259 -0.000 1.103) 1.133 5.806 ( 1.601 0.000 -0.401) 1.650 5.878 ( -2.907 -0.000 -5.339) 6.079 5.902 ( 0.486 0.000 2.045) 2.102 6.079 ( -28.510 -0.000 9.665) 30.104 6.213 ( -28.733 -0.000 -3.518) 28.947 7.347 ( 1.679 0.000 -1.510) 2.258 7.357 ( -1.571 -0.000 -0.131) 1.576 7.539 ( -4.654 -0.000 0.156) 4.656 7.591 ( -7.672 -0.000 -0.525) 7.690 7.731 ( 5.503 0.000 2.857) 6.200 7.770 ( 5.404 0.000 0.983) 5.492 8.135 ( 8.054 0.000 1.584) 8.209 8.159 ( 12.655 0.000 -2.515) 12.903 8.388 ( 5.805 0.000 -0.348) 5.815 8.476 ( 8.200 0.000 2.826) 8.674 8.489 ( 0.922 0.000 -1.907) 2.118 8.554 ( 3.747 0.000 -4.840) 6.121 8.740 ( -3.328 -0.000 2.172) 3.975 8.792 ( 0.270 0.000 -1.715) 1.736 8.982 ( 3.152 0.000 0.186) 3.157 9.110 ( 13.247 0.000 -0.040) 13.247 9.530 ( 2.391 0.000 8.746) 9.067 9.667 ( 3.199 0.000 -8.147) 8.753 9.877 ( -4.401 -0.000 -0.007) 4.401 9.976 ( -0.109 -0.000 2.417) 2.419 10.475 ( -0.711 -0.000 -16.573) 16.588 10.484 ( 0.634 0.000 12.562) 12.578 11.292 ( -4.443 -0.000 6.529) 7.897 11.306 ( -3.447 -0.000 -5.257) 6.286 12.293 ( -4.100 -0.000 4.703) 6.239 12.350 ( -0.433 -0.000 -1.927) 1.975 13.293 ( -0.203 -0.000 0.795) 0.821 13.309 ( 0.569 0.000 -0.881) 1.049 14.174 ( 2.087 0.000 1.400) 2.513 14.223 ( 4.414 0.000 -0.943) 4.513 14.391 ( 4.893 0.000 0.319) 4.903 14.431 ( 6.875 0.000 -1.409) 7.018 20.992 ( 2.764 0.000 3.202) 4.230 21.005 ( 5.167 0.000 -2.150) 5.596 21.055 ( -3.831 -0.000 -1.410) 4.082 21.247 ( 6.327 0.000 1.395) 6.479 21.577 ( -0.225 -0.000 -0.037) 0.228 21.587 ( 0.196 0.000 0.061) 0.206 23.345 ( -2.384 -0.000 2.219) 3.257 23.393 ( 0.982 0.000 -2.607) 2.786 23.851 ( -0.478 -0.000 -1.457) 1.533 23.895 ( -0.673 -0.000 4.585) 4.634 24.040 ( -2.028 -0.000 -3.358) 3.923 24.095 ( 5.136 0.000 -1.209) 5.276 24.303 ( 3.769 0.000 -0.044) 3.769 24.311 ( 1.850 0.000 0.051) 1.851 24.334 ( 1.380 0.000 0.070) 1.382 24.347 ( 0.894 0.000 0.449) 1.000 25.636 ( -17.014 -0.000 6.505) 18.216 25.643 ( -15.979 -0.000 -6.157) 17.124 ======================= Grid point 143 (67/93) ======================= q-point: ( 0.25 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 0.356 0.177 -19.563) 19.567 1.552 ( 4.052 -5.829 13.850) 15.563 1.627 ( 3.761 -4.319 -15.409) 16.438 1.777 ( 7.465 -4.956 14.559) 17.095 2.540 ( -11.379 8.076 1.422) 14.026 2.702 ( -3.729 1.828 -2.690) 4.948 2.778 ( 2.590 1.325 -7.819) 8.343 2.912 ( 0.153 1.730 2.532) 3.070 2.991 ( 7.929 -1.141 -16.894) 18.697 3.087 ( 3.272 2.301 1.055) 4.137 3.162 ( 1.784 -0.586 3.704) 4.153 3.179 ( 4.357 1.870 12.112) 13.007 3.210 ( 1.413 -2.375 -3.034) 4.105 3.279 ( 0.385 -0.843 5.961) 6.033 3.339 ( -2.662 0.759 3.288) 4.298 3.467 ( -4.828 -1.533 1.139) 5.192 3.474 ( -1.004 2.184 0.628) 2.485 3.615 ( -0.919 -0.360 -4.266) 4.379 3.735 ( 1.091 2.497 4.268) 5.064 3.839 ( -0.438 -0.036 3.277) 3.307 4.048 ( -6.850 -2.378 3.361) 7.993 4.075 ( -2.838 2.697 4.439) 5.919 4.135 ( -1.722 6.468 -0.803) 6.741 4.191 ( 4.933 -4.890 -0.946) 7.011 4.312 ( -2.113 -1.789 -4.946) 5.668 4.454 ( 3.679 -0.129 0.251) 3.690 4.556 ( 0.799 -0.722 2.057) 2.322 4.684 ( 6.586 0.374 -0.322) 6.604 4.702 ( 3.911 -3.521 0.379) 5.276 4.728 ( 0.208 -0.904 -3.067) 3.204 4.954 ( 2.998 -3.558 5.395) 7.124 5.138 ( 7.967 -4.977 -11.250) 14.656 5.447 ( -8.080 1.739 2.141) 8.538 5.617 ( -14.820 4.776 -4.422) 16.186 5.654 ( -5.795 6.719 -0.068) 8.873 5.713 ( -13.599 7.614 1.899) 15.700 5.756 ( -5.438 0.743 -2.161) 5.899 5.798 ( -2.121 3.109 -1.652) 4.111 5.938 ( -2.546 2.665 6.062) 7.095 5.956 ( 0.059 -1.933 -1.338) 2.352 7.279 ( -7.062 3.867 -1.438) 8.179 7.376 ( -0.175 0.961 -0.684) 1.192 7.473 ( -4.461 1.773 0.260) 4.807 7.522 ( 2.042 -0.218 1.653) 2.636 7.797 ( 4.258 -1.420 4.530) 6.377 7.908 ( 3.788 -6.493 -0.095) 7.518 8.088 ( 7.024 3.800 0.422) 7.997 8.412 ( 1.003 -4.715 1.531) 5.058 8.480 ( 1.718 -1.008 0.944) 2.204 8.504 ( 4.674 -1.382 -7.877) 9.263 8.545 ( 4.808 -6.704 -6.070) 10.242 8.602 ( 0.398 -1.467 2.425) 2.862 8.690 ( -0.843 1.829 2.187) 2.973 8.743 ( -3.408 3.348 1.346) 4.963 8.993 ( 4.251 1.645 -0.933) 4.652 9.384 ( 12.159 -9.412 1.952) 15.500 9.553 ( -0.838 1.106 5.893) 6.054 9.682 ( -3.462 -1.450 -2.424) 4.468 9.831 ( 1.453 0.966 -1.212) 2.124 10.038 ( 4.881 -4.465 1.897) 6.882 10.404 ( 0.801 0.630 -13.072) 13.111 10.538 ( 0.933 0.279 10.454) 10.499 11.154 ( -5.233 6.810 -2.826) 9.042 11.288 ( -3.467 0.222 0.721) 3.548 12.244 ( -3.988 1.993 4.834) 6.576 12.384 ( 0.154 -3.857 -2.499) 4.598 13.298 ( 0.186 -0.298 0.754) 0.832 13.317 ( 1.031 -0.478 -0.911) 1.457 14.200 ( 2.266 -0.262 1.546) 2.756 14.304 ( 2.918 -3.343 -0.436) 4.459 14.437 ( 5.564 0.358 0.522) 5.600 14.532 ( 4.550 -3.471 -0.132) 5.725 20.979 ( 1.500 2.429 2.176) 3.589 21.038 ( -0.287 -0.897 3.757) 3.874 21.117 ( 3.890 -4.434 -4.371) 7.341 21.345 ( 6.994 -2.553 2.330) 7.801 21.576 ( -0.204 -0.049 0.017) 0.211 21.588 ( 0.131 0.039 -0.036) 0.141 23.312 ( -2.409 1.165 1.154) 2.914 23.419 ( 0.421 -2.405 -1.423) 2.826 23.832 ( 0.057 1.415 1.641) 2.168 23.929 ( 0.115 -2.216 2.791) 3.566 24.012 ( -3.031 -1.441 -4.177) 5.358 24.146 ( 6.349 0.462 -1.712) 6.592 24.286 ( 1.462 2.064 -0.984) 2.714 24.362 ( 3.587 -1.384 0.454) 3.872 24.369 ( 0.737 -1.401 0.223) 1.598 24.401 ( 2.493 -3.259 0.782) 4.177 25.327 ( -18.498 10.021 -13.643) 25.074 25.394 ( -17.154 9.822 10.470) 22.369 ======================= Grid point 144 (68/93) ======================= q-point: ( 0.38 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 9.908 -12.130 -5.679) 16.660 1.730 ( 5.027 -10.648 -18.782) 22.168 1.820 ( 11.106 -7.898 13.069) 18.882 1.995 ( 7.386 -5.158 12.589) 15.481 2.301 ( -9.732 7.566 2.480) 12.574 2.591 ( -4.164 4.849 -1.632) 6.597 2.701 ( -2.596 4.129 -5.629) 7.448 2.823 ( 0.142 8.436 3.179) 9.016 3.004 ( 3.229 6.201 2.022) 7.279 3.051 ( -4.430 0.678 -6.382) 7.798 3.103 ( 2.806 2.877 -10.140) 10.908 3.182 ( -3.605 0.153 -2.035) 4.142 3.221 ( -3.157 0.539 -0.480) 3.239 3.246 ( -1.662 -0.949 -1.359) 2.347 3.363 ( -3.180 0.811 3.236) 4.608 3.439 ( 0.654 2.548 0.831) 2.759 3.464 ( -4.968 -0.526 0.229) 5.001 3.615 ( -1.123 0.055 2.010) 2.303 3.752 ( 4.417 -1.117 4.985) 6.754 3.833 ( -1.547 -0.966 5.220) 5.529 3.933 ( -0.924 5.583 -1.935) 5.981 4.016 ( 3.485 2.441 0.303) 4.266 4.143 ( -3.631 -2.880 1.988) 5.043 4.342 ( 3.690 -1.850 -0.136) 4.130 4.406 ( 5.170 -4.284 2.395) 7.129 4.449 ( 2.225 -1.330 -2.306) 3.469 4.610 ( 4.953 -2.709 2.516) 6.181 4.721 ( -0.115 1.736 -0.496) 1.809 4.745 ( 3.957 -0.641 2.164) 4.555 4.816 ( 4.070 -5.107 -0.886) 6.590 5.035 ( 0.932 -1.188 2.633) 3.035 5.177 ( -7.626 7.489 -2.784) 11.045 5.255 ( -8.579 5.148 -4.280) 10.882 5.374 ( -4.021 -2.178 -1.514) 4.817 5.491 ( -4.174 3.047 -0.246) 5.174 5.615 ( -4.997 0.207 -0.779) 5.062 5.661 ( -1.280 1.311 -3.382) 3.846 5.834 ( 0.948 -2.440 4.691) 5.372 5.926 ( 1.095 1.199 4.481) 4.766 6.000 ( -0.148 -2.519 -3.059) 3.966 7.101 ( -8.202 5.716 0.001) 9.997 7.271 ( -5.970 5.111 -1.134) 7.941 7.444 ( 1.907 0.123 1.607) 2.497 7.646 ( 7.007 -5.099 -0.531) 8.682 7.892 ( 3.862 -2.239 4.894) 6.624 8.030 ( 1.718 -4.550 -1.568) 5.110 8.120 ( 5.153 0.801 1.487) 5.422 8.440 ( 0.096 2.163 -1.230) 2.490 8.468 ( -4.129 2.692 -1.551) 5.167 8.500 ( -1.165 -2.228 -2.393) 3.471 8.561 ( 1.964 0.700 -0.098) 2.087 8.666 ( -2.353 1.147 0.340) 2.640 8.699 ( 1.974 -1.188 -0.116) 2.306 8.742 ( 1.811 -5.347 -1.983) 5.983 9.019 ( 3.627 -0.375 0.223) 3.654 9.471 ( -0.211 3.316 -0.438) 3.352 9.529 ( -4.931 3.014 2.337) 6.234 9.673 ( -3.925 -4.681 -1.096) 6.207 9.927 ( 6.430 -4.201 6.224) 9.886 10.185 ( 4.740 -4.051 -0.353) 6.245 10.386 ( 2.793 -2.216 -10.703) 11.281 10.580 ( 2.046 1.046 10.189) 10.445 10.977 ( -2.935 6.042 -6.365) 9.254 11.238 ( -3.148 1.528 0.182) 3.504 12.202 ( -3.692 0.909 6.260) 7.324 12.442 ( 0.820 -3.384 -3.585) 4.997 13.313 ( 0.407 -0.615 0.888) 1.155 13.336 ( 1.210 -0.704 -0.967) 1.701 14.237 ( 1.744 -0.749 1.786) 2.606 14.355 ( 1.073 -0.589 -1.613) 2.025 14.497 ( 4.380 -1.311 -0.305) 4.583 14.607 ( 0.549 -1.454 2.005) 2.537 20.974 ( -0.216 0.064 2.781) 2.790 21.064 ( 1.549 0.095 1.784) 2.364 21.198 ( 2.734 -1.888 -0.922) 3.448 21.475 ( 5.923 -3.444 1.823) 7.090 21.576 ( -0.151 -0.112 0.132) 0.229 21.590 ( 0.319 -0.348 -0.559) 0.732 23.281 ( -1.402 0.503 0.959) 1.772 23.460 ( -0.855 -2.569 0.445) 2.744 23.830 ( 0.542 0.417 5.626) 5.667 23.976 ( -1.296 -1.972 -1.049) 2.582 24.001 ( -1.239 -2.334 -2.881) 3.909 24.182 ( 6.130 1.901 -2.308) 6.820 24.266 ( 1.560 1.504 -1.200) 2.477 24.398 ( 0.130 -1.665 -0.725) 1.820 24.438 ( 3.627 -2.486 0.153) 4.400 24.474 ( 1.233 -2.257 1.244) 2.857 24.912 ( -13.576 9.720 -17.494) 24.183 25.089 ( -13.990 11.619 11.646) 21.595 ======================= Grid point 145 (69/93) ======================= q-point: ( 0.50 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 9.839 -11.917 3.961) 15.954 1.919 ( 7.092 -10.519 -13.755) 18.712 2.033 ( 0.644 4.530 5.591) 7.225 2.125 ( 2.811 -0.783 2.175) 3.639 2.230 ( 4.404 -6.509 8.787) 11.789 2.488 ( -1.361 0.858 -1.008) 1.899 2.567 ( -3.644 3.956 -5.344) 7.582 2.646 ( -4.367 11.589 4.179) 13.070 2.890 ( -0.312 5.275 -0.174) 5.287 2.934 ( -1.475 6.913 -7.165) 10.065 3.019 ( -3.212 -0.448 -6.594) 7.348 3.106 ( -2.934 2.786 1.206) 4.222 3.209 ( -1.132 -1.283 0.481) 1.777 3.248 ( -1.592 -1.055 -1.219) 2.266 3.317 ( -4.392 1.932 2.355) 5.345 3.427 ( -3.215 -4.339 -2.934) 6.146 3.498 ( -0.291 -4.532 3.398) 5.672 3.566 ( -2.642 -0.829 -1.033) 2.955 3.737 ( -2.484 3.926 -1.858) 5.004 3.828 ( 5.174 5.836 -2.835) 8.298 3.997 ( 7.543 -2.956 10.852) 13.542 4.045 ( 5.105 -1.644 -6.928) 8.761 4.114 ( -1.154 4.432 7.524) 8.808 4.318 ( 0.253 5.104 -1.990) 5.484 4.456 ( 1.701 -3.159 -2.169) 4.193 4.603 ( 3.806 -4.200 0.565) 5.696 4.691 ( 0.173 0.582 -0.497) 0.785 4.731 ( 2.995 -3.834 0.045) 4.865 4.785 ( -0.117 0.492 4.353) 4.383 4.916 ( -5.091 3.570 0.025) 6.218 4.953 ( 1.267 -3.972 -1.598) 4.465 5.054 ( -1.184 -1.263 1.693) 2.421 5.104 ( -5.765 6.093 -1.890) 8.598 5.347 ( 3.274 2.065 -2.353) 4.530 5.477 ( -5.107 -2.607 -1.868) 6.030 5.572 ( -0.767 0.323 2.471) 2.607 5.690 ( -1.438 -4.822 -2.485) 5.612 5.901 ( 1.803 -1.044 6.043) 6.392 5.928 ( 0.960 1.914 4.032) 4.565 6.018 ( -1.901 -2.248 -4.000) 4.966 6.965 ( -5.133 1.736 2.123) 5.820 7.145 ( -2.826 2.178 -2.297) 4.244 7.477 ( 2.199 0.272 2.626) 3.436 7.772 ( 4.175 -2.518 -3.256) 5.863 7.974 ( 4.077 -0.640 2.611) 4.884 8.092 ( 2.088 -1.574 -1.274) 2.909 8.154 ( 2.766 1.190 1.477) 3.354 8.327 ( -5.407 3.022 0.714) 6.235 8.431 ( 0.570 -0.038 0.633) 0.853 8.508 ( -2.120 -1.319 -1.695) 3.018 8.601 ( 2.738 -0.562 -5.401) 6.082 8.639 ( 0.045 0.585 2.180) 2.258 8.692 ( -2.309 0.810 0.423) 2.483 8.807 ( 0.677 -1.194 -2.548) 2.894 9.078 ( 2.185 -2.199 1.429) 3.414 9.406 ( -1.946 3.306 1.169) 4.011 9.426 ( -2.938 1.408 -0.444) 3.288 9.706 ( -3.688 -3.521 -0.978) 5.192 10.056 ( 2.450 -1.572 7.603) 8.141 10.244 ( 2.729 0.419 -0.710) 2.851 10.430 ( 2.780 -3.077 -10.706) 11.482 10.629 ( 1.944 0.171 11.518) 11.682 10.851 ( 0.333 3.632 -10.230) 10.861 11.188 ( -3.134 0.182 -0.690) 3.214 12.188 ( -2.873 0.449 9.392) 9.831 12.482 ( 0.942 -1.932 -4.660) 5.132 13.329 ( 0.166 -0.324 0.979) 1.044 13.352 ( 0.950 -0.219 -1.039) 1.425 14.270 ( 0.759 -0.650 2.048) 2.279 14.348 ( 0.839 1.258 -1.576) 2.184 14.547 ( 1.550 -0.014 -0.711) 1.705 14.621 ( -0.657 -0.984 0.674) 1.362 20.985 ( -2.117 -1.292 1.615) 2.959 21.084 ( 4.966 1.571 0.443) 5.227 21.219 ( -1.047 1.164 3.779) 4.090 21.558 ( 1.894 -0.784 -0.458) 2.101 21.577 ( -0.037 -0.061 0.065) 0.097 21.621 ( 2.635 -2.692 -5.234) 6.449 23.278 ( 0.358 -0.263 1.760) 1.816 23.490 ( -1.949 -1.794 2.029) 3.336 23.880 ( 0.657 -1.949 9.459) 9.680 23.963 ( -2.986 -1.481 -3.403) 4.763 24.024 ( -0.591 -0.976 -4.058) 4.215 24.176 ( 5.507 4.294 -3.037) 7.615 24.259 ( 2.610 1.187 -0.095) 2.869 24.419 ( 0.044 -0.758 -1.121) 1.354 24.459 ( -2.621 1.973 -3.194) 4.579 24.504 ( -0.218 -0.240 1.548) 1.581 24.711 ( -2.092 -3.015 -8.036) 8.834 24.836 ( -8.643 7.062 7.810) 13.622 ======================= Grid point 146 (70/93) ======================= q-point: (-0.38 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -3.136 13.460 8.181) 16.060 1.924 ( -0.124 13.986 -3.632) 14.451 2.040 ( -0.803 6.342 -4.313) 7.712 2.148 ( 1.341 -9.751 -9.808) 13.896 2.360 ( 0.721 0.218 -5.724) 5.773 2.417 ( -5.871 0.538 -1.801) 6.164 2.532 ( 2.465 -2.887 4.194) 5.657 2.691 ( 8.834 -11.249 6.667) 15.780 2.823 ( 0.161 1.405 -6.462) 6.615 2.873 ( 3.517 0.054 2.892) 4.554 3.007 ( 0.992 -1.894 -0.365) 2.169 3.091 ( -3.813 -5.108 -0.960) 6.446 3.201 ( -3.535 1.170 0.896) 3.830 3.251 ( 1.265 -0.984 1.175) 1.988 3.285 ( -1.212 -0.840 4.072) 4.331 3.455 ( -6.569 -5.823 -1.870) 8.976 3.585 ( -1.821 -1.766 2.386) 3.483 3.611 ( -0.033 -2.450 5.787) 6.284 3.626 ( -1.064 3.644 4.389) 5.803 3.804 ( 6.074 2.890 -2.310) 7.113 3.964 ( 3.819 6.743 4.375) 8.899 4.076 ( 2.003 1.507 -11.999) 12.258 4.202 ( 3.502 -3.124 -6.440) 7.968 4.275 ( 5.701 -2.884 4.958) 8.087 4.440 ( -3.418 4.335 -2.380) 6.012 4.600 ( -1.999 3.102 -1.213) 3.885 4.669 ( -1.810 1.159 -0.690) 2.257 4.675 ( -2.721 6.049 -1.287) 6.756 4.846 ( -2.939 0.311 4.355) 5.263 4.886 ( -3.964 -2.610 -0.588) 4.783 4.958 ( 0.803 0.944 1.039) 1.617 5.071 ( 3.822 -4.533 1.321) 6.075 5.121 ( 1.477 -6.143 -0.670) 6.354 5.379 ( 6.540 -0.453 -3.566) 7.463 5.454 ( -4.854 -1.218 1.122) 5.129 5.573 ( -2.087 -0.771 2.758) 3.543 5.716 ( -2.487 -0.811 -0.442) 2.653 5.911 ( 0.960 2.746 4.459) 5.324 5.944 ( 3.099 1.043 2.484) 4.106 6.007 ( -4.056 -1.358 -2.356) 4.883 6.978 ( -0.257 -4.979 3.935) 6.351 7.149 ( 0.966 -4.757 -2.923) 5.666 7.478 ( 0.847 2.785 2.771) 4.019 7.757 ( -0.724 4.067 -5.820) 7.137 8.004 ( 2.650 2.748 0.827) 3.906 8.114 ( -0.618 1.743 -1.236) 2.224 8.136 ( 3.402 1.273 2.093) 4.192 8.327 ( 0.564 -4.257 0.525) 4.326 8.445 ( -0.244 -1.438 -1.862) 2.365 8.513 ( -0.760 -1.242 1.306) 1.956 8.563 ( -2.403 2.093 -4.603) 5.598 8.629 ( -0.056 1.268 1.482) 1.951 8.676 ( -0.615 0.126 0.337) 0.712 8.784 ( -1.528 2.173 -0.534) 2.710 9.124 ( 2.184 0.648 2.170) 3.146 9.345 ( -3.006 0.024 0.486) 3.045 9.456 ( 1.987 -4.240 0.293) 4.692 9.710 ( -4.451 -2.446 -2.013) 5.464 10.081 ( -0.166 3.754 8.366) 9.172 10.243 ( 2.617 2.354 0.572) 3.566 10.444 ( 2.057 -0.452 -10.929) 11.130 10.708 ( 2.351 -0.800 -0.426) 2.520 10.766 ( 0.808 0.681 -2.125) 2.374 11.168 ( -3.317 -2.253 -2.027) 4.493 12.201 ( -1.882 0.248 12.615) 12.757 12.489 ( 0.832 -0.177 -5.438) 5.505 13.331 ( -0.279 0.451 0.964) 1.100 13.351 ( 0.520 0.654 -1.079) 1.365 14.280 ( -0.827 0.759 1.389) 1.786 14.335 ( 1.997 0.936 -0.310) 2.227 14.509 ( -1.935 2.974 0.759) 3.629 14.651 ( 0.470 -2.055 -3.323) 3.935 20.984 ( -2.553 -1.067 -0.056) 2.767 21.112 ( 5.679 1.716 -2.589) 6.473 21.173 ( -3.364 3.622 9.403) 10.623 21.572 ( 0.390 -0.160 -0.054) 0.425 21.578 ( 0.280 -0.080 -0.441) 0.529 21.639 ( 1.538 -0.464 -14.379) 14.468 23.309 ( 2.330 -0.528 2.663) 3.577 23.492 ( -2.806 -0.153 2.118) 3.519 23.913 ( -4.142 -1.154 -2.754) 5.106 23.973 ( -2.436 0.821 -9.269) 9.619 24.008 ( 3.038 -2.261 9.680) 10.394 24.147 ( 4.032 3.521 -0.022) 5.353 24.277 ( 4.087 1.605 1.671) 4.698 24.392 ( -1.775 -0.475 1.310) 2.257 24.437 ( -0.827 -0.546 0.185) 1.008 24.478 ( -2.738 2.726 2.864) 4.809 24.660 ( -3.955 1.289 7.685) 8.738 24.906 ( 3.669 -12.764 -7.707) 15.356 ======================= Grid point 147 (71/93) ======================= q-point: (-0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -2.779 20.677 5.396) 21.550 1.598 ( -1.669 14.479 12.621) 19.280 1.877 ( -0.402 4.988 -15.824) 16.596 2.117 ( -6.050 4.283 -18.606) 20.028 2.414 ( 6.862 -7.644 -1.508) 10.383 2.490 ( -2.437 -8.986 2.291) 9.589 2.630 ( -0.354 -2.738 5.462) 6.121 2.768 ( 0.124 1.855 -3.782) 4.215 2.913 ( 3.804 -1.266 4.042) 5.694 2.982 ( 6.889 -5.041 3.528) 9.237 3.086 ( 1.032 0.751 9.360) 9.447 3.159 ( -2.783 -0.498 1.558) 3.228 3.164 ( -3.251 -7.089 -2.222) 8.109 3.305 ( -0.125 -3.615 2.746) 4.541 3.329 ( 2.820 -1.421 0.732) 3.242 3.476 ( -1.732 0.983 4.167) 4.618 3.505 ( -9.555 -3.040 -1.208) 10.100 3.606 ( -0.731 -2.322 0.376) 2.463 3.753 ( 6.973 0.431 -1.536) 7.153 3.797 ( 1.058 -1.942 -0.823) 2.360 3.958 ( 2.051 1.848 -8.489) 8.926 4.019 ( 6.280 -1.167 2.964) 7.042 4.264 ( -5.113 0.238 -9.808) 11.063 4.306 ( 0.353 -0.900 -2.227) 2.427 4.401 ( 4.935 1.244 2.010) 5.472 4.484 ( -2.557 6.994 -0.686) 7.478 4.524 ( 0.418 4.027 -0.673) 4.104 4.674 ( -0.046 -0.130 2.233) 2.237 4.739 ( -5.659 5.537 -4.377) 9.046 4.783 ( -3.171 2.460 -1.574) 4.310 5.092 ( 2.838 -0.775 7.931) 8.460 5.202 ( 0.757 -8.116 4.114) 9.130 5.270 ( 0.795 -6.217 -1.684) 6.490 5.349 ( -2.507 -3.273 -1.613) 4.427 5.527 ( 4.894 -4.651 -0.112) 6.753 5.587 ( -3.736 -3.426 0.630) 5.108 5.707 ( 0.496 0.005 5.256) 5.280 5.894 ( 2.314 2.972 2.753) 4.665 5.948 ( 2.235 0.910 -4.174) 4.822 5.968 ( -4.255 0.771 1.940) 4.739 7.139 ( 3.046 -8.933 4.761) 10.570 7.276 ( 1.137 -8.763 -2.416) 9.161 7.434 ( 0.030 3.018 1.914) 3.574 7.608 ( -2.718 7.052 -6.606) 10.038 7.932 ( -1.842 5.577 2.846) 6.526 8.064 ( 0.025 3.427 -6.758) 7.578 8.152 ( 5.054 2.902 4.173) 7.168 8.415 ( 1.502 -2.657 -0.109) 3.054 8.439 ( -4.551 3.561 -3.995) 7.025 8.475 ( -1.210 -2.372 -1.429) 3.022 8.576 ( 2.993 -2.807 2.041) 4.583 8.629 ( 0.412 3.184 2.009) 3.787 8.645 ( -2.517 -1.949 1.067) 3.357 8.724 ( -1.581 1.913 -1.467) 2.883 9.124 ( 4.587 4.140 3.632) 7.167 9.321 ( -5.304 -0.433 -0.735) 5.372 9.578 ( 2.265 -5.422 1.135) 5.984 9.697 ( -3.524 -2.395 -2.820) 5.110 9.998 ( -1.386 7.623 7.792) 10.988 10.218 ( 4.577 5.748 -2.816) 7.869 10.383 ( -1.019 3.502 -7.446) 8.291 10.633 ( 0.069 0.766 -14.528) 14.548 10.910 ( 3.905 -6.843 10.488) 13.117 11.186 ( -3.198 -4.844 -3.030) 6.548 12.238 ( -1.528 -0.360 13.756) 13.846 12.464 ( 0.898 1.504 -5.591) 5.859 13.318 ( -0.486 0.957 0.881) 1.389 13.335 ( 0.333 1.108 -1.037) 1.554 14.246 ( -1.058 2.230 1.534) 2.906 14.331 ( 0.634 1.569 -2.276) 2.837 14.446 ( -0.354 3.211 3.914) 5.075 14.645 ( -1.048 0.693 -6.981) 7.093 20.976 ( -1.827 -0.588 0.164) 1.927 21.056 ( -4.130 2.805 -1.619) 5.249 21.170 ( 5.400 3.245 7.654) 9.913 21.545 ( -0.222 4.110 -19.146) 19.583 21.577 ( 0.173 -0.113 -0.014) 0.207 21.582 ( -0.138 -0.128 -0.036) 0.192 23.355 ( 3.229 -0.083 2.822) 4.289 23.457 ( -3.121 1.199 0.948) 3.475 23.870 ( -1.834 0.302 -3.205) 3.705 23.919 ( -2.509 -0.841 -6.075) 6.626 24.082 ( 2.346 0.613 4.442) 5.060 24.125 ( 1.689 2.822 0.898) 3.409 24.281 ( 2.792 2.146 1.374) 3.780 24.368 ( -3.638 2.446 0.446) 4.407 24.421 ( 0.516 1.614 1.099) 2.020 24.444 ( -1.773 0.411 2.163) 2.827 24.796 ( 1.754 -13.583 18.433) 22.964 25.173 ( 3.431 -16.962 -9.110) 19.557 ======================= Grid point 148 (72/93) ======================= q-point: (-0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 0.882 9.681 20.690) 22.860 1.448 ( 0.761 10.019 22.126) 24.300 1.759 ( 0.880 0.383 -23.440) 23.460 1.911 ( -1.835 3.904 -23.582) 23.973 2.547 ( 2.067 6.422 18.457) 19.651 2.641 ( -4.916 -10.732 0.333) 11.809 2.690 ( 5.114 -5.166 3.520) 8.076 2.760 ( -0.857 -2.804 -2.260) 3.702 2.931 ( 2.118 4.568 7.778) 9.265 3.088 ( 0.213 0.298 4.598) 4.612 3.108 ( -1.045 -2.220 2.069) 3.210 3.146 ( -0.327 -0.476 -1.114) 1.254 3.216 ( -2.560 -4.409 -4.617) 6.878 3.349 ( -0.773 -0.970 -5.208) 5.354 3.394 ( -1.699 1.604 -4.193) 4.800 3.421 ( -0.147 -2.622 -3.916) 4.715 3.512 ( 1.865 -1.637 3.333) 4.156 3.614 ( -0.331 2.882 -13.235) 13.549 3.722 ( 3.187 -1.379 3.031) 4.609 3.809 ( -2.499 0.512 -5.212) 5.803 4.085 ( 5.057 -4.904 3.548) 7.887 4.134 ( 1.470 -4.215 4.475) 6.321 4.188 ( -4.828 -2.017 1.432) 5.425 4.256 ( 3.835 4.201 -2.181) 6.092 4.313 ( -2.356 6.125 -0.830) 6.614 4.407 ( -0.373 -3.234 -10.103) 10.615 4.561 ( -1.681 4.185 2.550) 5.181 4.589 ( 1.509 1.867 -1.122) 2.650 4.663 ( 1.770 2.696 1.795) 3.691 4.724 ( -1.735 0.358 -3.650) 4.057 5.024 ( -3.507 9.043 8.095) 12.634 5.161 ( 2.669 6.592 -4.242) 8.281 5.486 ( -2.528 -13.834 8.206) 16.282 5.599 ( 0.554 -7.160 -4.223) 8.331 5.650 ( -2.525 -10.084 2.629) 10.722 5.683 ( 2.235 -18.421 1.566) 18.622 5.780 ( 1.805 -3.682 7.930) 8.927 5.867 ( 2.873 3.874 1.875) 5.175 5.905 ( -3.362 0.853 0.012) 3.469 5.951 ( -0.024 -2.264 -4.410) 4.957 7.321 ( 2.894 -3.127 4.910) 6.501 7.406 ( 0.216 -4.074 -2.313) 4.690 7.438 ( -2.093 -4.981 -0.051) 5.403 7.463 ( -1.481 0.168 -3.836) 4.115 7.822 ( -2.380 6.227 4.237) 7.898 7.943 ( 0.477 6.160 -8.150) 10.227 8.173 ( 5.553 4.149 4.762) 8.410 8.266 ( -5.659 6.044 -4.988) 9.666 8.467 ( 2.865 0.775 -0.345) 2.988 8.476 ( 0.069 0.516 -1.220) 1.326 8.545 ( 1.182 6.728 6.273) 9.274 8.626 ( 0.303 2.853 -1.461) 3.219 8.713 ( -0.515 -6.056 -0.140) 6.079 8.726 ( -0.327 -4.627 -2.194) 5.131 9.084 ( 0.645 7.645 5.485) 9.432 9.214 ( -0.477 6.081 -6.837) 9.162 9.595 ( -3.627 5.135 7.238) 9.587 9.740 ( 1.991 -3.513 -6.057) 7.280 9.907 ( -2.771 1.869 4.589) 5.677 10.049 ( 4.255 11.763 -10.279) 16.190 10.354 ( 0.021 -0.803 6.477) 6.527 10.592 ( 0.211 -1.519 -15.192) 15.269 11.109 ( 2.147 -7.088 10.005) 12.448 11.245 ( -2.246 -6.460 -3.858) 7.852 12.283 ( -2.950 -1.534 10.770) 11.272 12.419 ( 1.709 2.536 -4.352) 5.318 13.301 ( -0.355 0.739 0.807) 1.150 13.317 ( 0.428 0.825 -0.883) 1.282 14.202 ( -0.959 2.555 2.611) 3.777 14.276 ( 0.447 2.866 -4.486) 5.342 14.418 ( 1.890 3.860 5.354) 6.865 14.544 ( -1.394 5.587 -8.368) 10.157 20.953 ( -5.189 0.426 2.272) 5.680 20.991 ( 1.808 1.343 -1.600) 2.762 21.191 ( 4.861 3.199 4.540) 7.381 21.359 ( -1.522 7.680 -14.861) 16.797 21.580 ( -0.118 -0.113 0.174) 0.239 21.583 ( 0.212 0.005 -0.189) 0.284 23.379 ( -1.051 0.877 2.889) 3.197 23.416 ( 0.821 1.085 -1.066) 1.729 23.852 ( -1.934 -0.648 0.607) 2.128 23.898 ( -0.106 -0.496 -3.907) 3.939 24.088 ( 1.118 1.536 0.835) 2.075 24.090 ( 0.949 2.495 0.489) 2.714 24.279 ( 1.559 1.330 1.352) 2.454 24.301 ( -1.212 1.704 -0.939) 2.292 24.391 ( 0.141 2.715 1.148) 2.951 24.407 ( -0.414 2.464 -0.272) 2.513 25.224 ( 0.151 -22.960 18.449) 29.454 25.462 ( -0.023 -17.494 -7.861) 19.179 ======================= Grid point 151 (73/93) ======================= q-point: ( 0.25 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 4.410 0.000 -23.329) 23.743 1.467 ( 7.442 0.000 -13.479) 15.397 1.726 ( 8.586 0.000 12.791) 15.406 1.843 ( 6.383 0.000 17.994) 19.092 2.485 ( -15.096 -0.000 0.497) 15.105 2.721 ( -0.641 -0.000 4.060) 4.111 2.789 ( -5.191 -0.000 -5.026) 7.225 2.843 ( 12.180 0.000 -20.537) 23.877 3.026 ( 4.774 0.000 -10.349) 11.397 3.113 ( -8.076 -0.000 -4.737) 9.362 3.187 ( 2.154 0.000 5.025) 5.467 3.193 ( 1.577 0.000 -3.878) 4.187 3.224 ( -9.437 -0.000 -4.349) 10.391 3.282 ( 1.490 0.000 9.770) 9.883 3.354 ( -5.716 -0.000 3.330) 6.615 3.443 ( 5.298 0.000 13.239) 14.260 3.502 ( 0.613 0.000 4.869) 4.907 3.640 ( 5.672 0.000 -3.031) 6.431 3.745 ( -0.678 -0.000 7.862) 7.891 3.878 ( -5.997 -0.000 -1.714) 6.237 3.977 ( -4.978 -0.000 12.507) 13.461 4.037 ( -8.950 -0.000 7.968) 11.983 4.209 ( 8.875 0.000 -0.866) 8.917 4.219 ( 6.740 0.000 1.083) 6.826 4.364 ( 3.102 0.000 0.020) 3.102 4.387 ( -2.567 -0.000 -4.617) 5.282 4.614 ( 0.100 0.000 0.323) 0.338 4.623 ( 2.371 0.000 0.882) 2.530 4.701 ( 3.719 0.000 -1.919) 4.185 4.791 ( 5.726 0.000 -2.907) 6.422 4.959 ( 2.434 0.000 3.283) 4.087 5.139 ( 10.983 0.000 -15.145) 18.709 5.369 ( -11.737 -0.000 1.698) 11.860 5.495 ( -18.699 -0.000 -3.785) 19.079 5.633 ( -12.427 -0.000 -0.008) 12.427 5.678 ( -3.556 -0.000 0.447) 3.584 5.698 ( -4.825 -0.000 0.341) 4.837 5.828 ( 1.815 0.000 -1.933) 2.652 5.879 ( -4.830 -0.000 -2.155) 5.289 5.965 ( 0.817 0.000 4.076) 4.157 7.240 ( -8.251 -0.000 0.089) 8.252 7.376 ( -6.440 -0.000 -1.228) 6.556 7.442 ( 1.416 0.000 0.738) 1.597 7.533 ( 2.000 0.000 1.271) 2.370 7.863 ( 5.683 0.000 2.692) 6.288 7.899 ( 5.510 0.000 2.899) 6.226 8.242 ( 3.056 0.000 0.616) 3.117 8.325 ( 4.512 0.000 1.136) 4.653 8.469 ( -1.205 -0.000 -2.842) 3.087 8.500 ( 6.254 0.000 -3.448) 7.142 8.526 ( -0.482 -0.000 -7.316) 7.331 8.611 ( -0.035 -0.000 1.756) 1.756 8.713 ( 1.379 0.000 1.754) 2.231 8.745 ( -3.495 -0.000 1.140) 3.676 9.059 ( 4.559 0.000 -0.387) 4.575 9.423 ( 10.077 0.000 2.394) 10.357 9.572 ( -3.206 -0.000 2.519) 4.077 9.621 ( -6.507 -0.000 1.530) 6.685 9.877 ( 7.780 0.000 -0.932) 7.835 10.059 ( 4.531 0.000 6.553) 7.967 10.371 ( 4.088 0.000 -17.196) 17.675 10.598 ( 0.561 0.000 14.174) 14.185 11.184 ( -8.867 -0.000 0.822) 8.905 11.203 ( -1.841 -0.000 -6.284) 6.548 12.267 ( -3.650 -0.000 7.099) 7.982 12.316 ( 0.712 0.000 -5.772) 5.815 13.302 ( 0.452 0.000 0.846) 0.960 13.321 ( 1.304 0.000 -0.935) 1.605 14.239 ( 2.727 0.000 2.707) 3.842 14.300 ( 3.229 0.000 -0.156) 3.233 14.522 ( 3.934 0.000 -3.545) 5.296 14.527 ( 4.969 0.000 4.261) 6.546 20.976 ( -3.308 -0.000 -0.308) 3.322 21.057 ( 3.472 0.000 -7.213) 8.005 21.152 ( 5.231 0.000 15.762) 16.607 21.416 ( 9.641 0.000 1.363) 9.737 21.573 ( -0.187 -0.000 -0.021) 0.189 21.590 ( 0.067 0.000 0.080) 0.104 23.305 ( -3.376 -0.000 3.107) 4.588 23.393 ( 1.511 0.000 -4.107) 4.376 23.862 ( 1.935 0.000 -0.355) 1.968 23.909 ( -1.196 -0.000 4.005) 4.180 23.947 ( -3.729 -0.000 -4.324) 5.710 24.216 ( 7.370 0.000 -2.099) 7.663 24.324 ( 0.964 0.000 -0.464) 1.070 24.360 ( 0.447 0.000 0.135) 0.467 24.391 ( 3.831 0.000 0.127) 3.833 24.402 ( 4.017 0.000 1.231) 4.202 25.142 ( -22.091 -0.000 -17.787) 28.361 25.328 ( -19.428 -0.000 9.881) 21.796 ======================= Grid point 152 (74/93) ======================= q-point: ( 0.38 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 15.397 -7.402 -6.459) 18.264 1.562 ( 9.512 -6.295 -14.999) 18.844 1.893 ( 11.282 -2.882 14.318) 18.455 2.033 ( 6.727 -5.284 12.945) 15.516 2.297 ( -12.624 4.039 1.249) 13.314 2.684 ( 0.695 6.236 2.296) 6.681 2.710 ( -3.550 1.452 -6.362) 7.429 2.898 ( 1.554 -3.926 -18.265) 18.747 2.927 ( -5.452 3.190 0.448) 6.332 3.047 ( -11.726 1.305 -5.325) 12.944 3.082 ( -0.627 1.243 -9.459) 9.561 3.167 ( -1.307 0.190 1.119) 1.731 3.186 ( -1.095 2.966 -1.821) 3.649 3.268 ( -1.160 3.575 3.071) 4.853 3.409 ( -3.333 -1.133 7.019) 7.852 3.457 ( 0.195 2.530 3.536) 4.352 3.479 ( -2.453 2.821 -0.232) 3.746 3.653 ( 2.630 2.591 -4.588) 5.889 3.760 ( -7.397 0.101 -0.099) 7.399 3.853 ( 7.004 -2.447 14.474) 16.265 3.991 ( 0.318 1.219 9.540) 9.623 4.039 ( -2.753 -3.409 8.130) 9.236 4.138 ( 0.424 5.757 -3.365) 6.682 4.353 ( 7.099 -2.862 1.610) 7.822 4.409 ( 7.547 -4.037 -0.221) 8.562 4.485 ( -3.697 0.673 1.966) 4.240 4.543 ( 5.352 -2.170 -1.543) 5.978 4.733 ( 2.919 -1.295 3.325) 4.611 4.761 ( 3.936 -4.282 -1.685) 6.055 4.822 ( 3.455 0.303 -2.365) 4.198 5.027 ( 0.117 -3.157 1.301) 3.417 5.174 ( -12.075 4.471 -7.615) 14.959 5.210 ( 1.377 1.001 -7.135) 7.336 5.277 ( -7.129 1.394 -3.036) 7.873 5.525 ( -3.627 3.340 1.318) 5.104 5.607 ( -3.826 2.661 2.767) 5.420 5.652 ( -3.681 1.007 -1.888) 4.258 5.807 ( -1.521 -1.645 2.525) 3.376 5.918 ( 0.287 -4.052 -2.788) 4.927 5.983 ( 1.740 1.145 1.680) 2.676 7.115 ( -7.831 4.606 0.847) 9.125 7.259 ( -8.780 2.391 -1.023) 9.157 7.484 ( 3.817 0.400 1.742) 4.215 7.610 ( 4.376 -4.849 -0.943) 6.599 7.935 ( 5.876 -0.766 3.553) 6.909 7.994 ( 3.798 -3.068 1.578) 5.131 8.216 ( 4.569 3.304 1.347) 5.797 8.406 ( -3.381 -3.866 -2.909) 5.903 8.454 ( -2.671 0.776 1.115) 2.997 8.462 ( -1.625 1.431 -2.382) 3.219 8.583 ( 0.837 -2.389 -3.017) 3.939 8.607 ( 2.779 -1.056 -2.199) 3.698 8.708 ( -0.463 0.667 0.189) 0.834 8.733 ( 1.259 0.154 1.015) 1.625 9.085 ( 4.890 1.915 0.553) 5.280 9.505 ( -1.379 1.549 -1.096) 2.345 9.526 ( -3.471 0.984 1.283) 3.829 9.553 ( -5.360 -2.413 -0.090) 5.879 9.980 ( 7.138 -1.320 6.650) 9.844 10.171 ( 4.067 -3.733 7.017) 8.928 10.361 ( 6.875 -0.184 -16.669) 18.032 10.659 ( 1.613 0.418 13.241) 13.345 11.021 ( -5.517 5.707 -5.097) 9.433 11.191 ( -3.619 -1.170 -4.173) 5.646 12.221 ( -2.464 2.101 5.497) 6.380 12.363 ( 0.441 -4.380 -3.743) 5.778 13.314 ( 0.608 -0.328 0.966) 1.188 13.335 ( 1.405 -0.453 -0.950) 1.755 14.269 ( 2.562 0.601 2.876) 3.898 14.344 ( 1.789 -1.295 -0.694) 2.315 14.534 ( 3.480 0.297 -1.492) 3.798 14.593 ( 0.673 -1.191 2.391) 2.754 20.948 ( -3.012 -0.434 0.958) 3.190 21.076 ( 3.078 -1.877 -8.240) 8.994 21.257 ( 4.077 1.480 17.508) 18.037 21.526 ( 8.474 -0.511 1.767) 8.671 21.572 ( -0.164 -0.089 0.066) 0.198 21.592 ( 1.002 0.103 0.022) 1.007 23.281 ( -2.157 0.353 2.971) 3.689 23.410 ( 0.384 -2.014 -2.630) 3.335 23.862 ( 0.182 0.701 0.831) 1.102 23.909 ( -3.119 -1.125 -1.922) 3.832 23.944 ( 0.069 -2.801 0.015) 2.802 24.267 ( 6.171 0.914 -2.890) 6.875 24.311 ( 1.786 1.784 -0.786) 2.643 24.376 ( 0.171 -0.962 -0.029) 0.977 24.443 ( 2.760 -1.872 0.498) 3.372 24.464 ( 4.468 -0.811 1.173) 4.690 24.810 ( -17.174 4.918 -19.849) 26.704 25.123 ( -17.572 5.762 9.875) 20.964 ======================= Grid point 153 (75/93) ======================= q-point: ( 0.50 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 9.186 -9.543 -9.984) 16.587 1.781 ( 16.117 -11.734 6.834) 21.075 2.123 ( 8.041 -4.287 8.145) 12.222 2.136 ( -4.645 2.130 0.566) 5.142 2.241 ( 5.482 -4.136 12.166) 13.971 2.562 ( -0.400 7.664 1.463) 7.813 2.593 ( -1.184 5.436 -8.047) 9.783 2.787 ( -8.836 8.953 0.405) 12.585 2.848 ( -7.262 -3.166 -7.869) 11.166 2.926 ( -5.174 -1.786 -5.381) 7.675 3.004 ( -4.209 5.094 -9.004) 11.169 3.093 ( -4.052 0.180 -1.204) 4.231 3.160 ( -4.097 3.347 -1.946) 5.636 3.186 ( -0.372 -1.057 -1.500) 1.872 3.328 ( -3.025 2.453 0.620) 3.944 3.411 ( -2.734 1.072 0.966) 3.092 3.458 ( 1.574 1.218 2.487) 3.186 3.623 ( 3.794 3.903 3.008) 6.219 3.727 ( -1.427 -1.851 -2.293) 3.274 3.928 ( -1.855 3.610 0.564) 4.097 4.055 ( 7.479 -2.206 4.600) 9.053 4.119 ( 7.611 1.582 7.344) 10.694 4.162 ( 1.007 -3.816 8.144) 9.050 4.372 ( -2.295 1.991 0.978) 3.192 4.454 ( 3.579 1.741 -1.500) 4.254 4.539 ( 2.143 -5.341 -2.298) 6.197 4.650 ( 1.320 -2.130 -1.568) 2.956 4.756 ( -0.496 2.037 -4.240) 4.730 4.816 ( -1.996 1.081 2.708) 3.533 4.872 ( 4.315 -3.853 -2.521) 6.310 4.953 ( -0.912 1.926 2.461) 3.256 5.046 ( -2.098 0.853 2.655) 3.490 5.108 ( -7.830 3.126 -3.321) 9.061 5.324 ( 3.250 -4.994 -10.221) 11.831 5.453 ( -0.744 3.219 3.059) 4.503 5.544 ( -4.654 1.150 2.729) 5.516 5.638 ( 1.545 -1.834 -0.266) 2.413 5.855 ( -4.426 -4.743 3.760) 7.498 5.967 ( 0.886 -0.592 0.650) 1.248 5.982 ( 2.565 0.032 -2.158) 3.353 6.971 ( -5.305 4.046 2.748) 7.216 7.133 ( -5.467 2.406 -2.776) 6.586 7.526 ( 3.264 0.182 4.105) 5.248 7.730 ( 3.266 -4.575 -4.618) 7.275 8.024 ( 6.266 -0.732 1.803) 6.561 8.082 ( 2.903 -2.897 1.306) 4.304 8.230 ( 3.880 1.426 2.420) 4.790 8.316 ( -8.073 4.146 1.060) 9.137 8.433 ( -3.124 -2.845 -2.245) 4.785 8.458 ( 1.804 1.035 0.275) 2.098 8.579 ( -0.716 -0.147 -5.587) 5.635 8.638 ( -0.463 -1.242 1.617) 2.091 8.708 ( 0.099 1.423 0.386) 1.477 8.769 ( 1.732 -2.795 -2.351) 4.042 9.108 ( 4.601 1.079 1.471) 4.950 9.411 ( -6.137 2.482 -1.056) 6.704 9.445 ( -2.975 2.550 3.026) 4.951 9.592 ( -2.045 -3.799 -3.916) 5.827 10.088 ( 2.546 -1.649 8.516) 9.040 10.283 ( 2.595 -1.606 7.919) 8.486 10.380 ( 6.910 -1.073 -15.596) 17.092 10.714 ( 1.937 1.254 12.664) 12.873 10.868 ( -2.466 3.622 -9.999) 10.917 11.140 ( -3.803 0.390 -4.558) 5.949 12.206 ( -2.298 0.294 9.085) 9.376 12.422 ( 0.820 -3.527 -5.300) 6.419 13.330 ( 0.385 -0.383 1.048) 1.181 13.353 ( 1.146 -0.441 -1.015) 1.593 14.291 ( 1.417 0.551 2.946) 3.315 14.364 ( 1.316 0.074 -1.449) 1.959 14.565 ( 2.391 -0.219 -0.791) 2.528 14.599 ( -1.934 -0.149 0.753) 2.080 20.938 ( -3.156 -1.189 2.504) 4.201 21.110 ( 3.562 -2.146 -10.648) 11.431 21.308 ( 2.012 3.939 17.103) 17.666 21.572 ( 0.526 0.140 0.369) 0.658 21.573 ( -0.336 -0.216 0.323) 0.513 21.629 ( 6.654 0.795 -2.203) 7.054 23.285 ( -0.162 -0.699 3.824) 3.891 23.442 ( -0.919 -2.342 0.094) 2.517 23.849 ( -3.393 -1.426 -2.699) 4.564 23.919 ( -0.904 -1.752 4.471) 4.886 23.983 ( 0.798 -1.597 -3.710) 4.118 24.277 ( 4.063 2.747 -4.285) 6.513 24.310 ( 3.178 0.295 -1.379) 3.476 24.396 ( 0.459 -0.976 0.147) 1.089 24.459 ( -4.083 3.250 -5.470) 7.560 24.491 ( -1.079 -1.465 0.977) 2.065 24.608 ( 1.401 -1.818 -8.015) 8.337 24.886 ( -13.806 6.933 8.459) 17.613 ======================= Grid point 154 (76/93) ======================= q-point: ( 0.62 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 3.501 -6.603 -2.490) 7.878 2.023 ( 4.700 1.232 3.538) 6.010 2.105 ( 2.928 3.600 5.224) 6.987 2.143 ( -4.841 5.140 -1.089) 7.144 2.372 ( 3.014 4.609 0.771) 5.561 2.440 ( 0.664 7.351 -8.876) 11.544 2.536 ( -1.310 -0.563 3.097) 3.409 2.594 ( 1.855 -5.391 6.512) 8.655 2.817 ( -4.973 2.810 -8.192) 9.987 2.871 ( -5.484 -7.643 -2.987) 9.870 2.941 ( 5.103 -2.506 -3.008) 6.432 3.040 ( -0.052 2.602 0.411) 2.634 3.125 ( -7.185 -7.427 -0.668) 10.355 3.180 ( -1.632 0.840 -3.926) 4.334 3.306 ( 1.295 0.895 2.522) 2.973 3.371 ( -2.637 0.851 1.149) 2.999 3.495 ( 0.602 -3.950 0.621) 4.044 3.615 ( -1.002 0.252 1.874) 2.140 3.761 ( 4.273 3.767 6.791) 8.864 3.873 ( 2.494 0.147 -0.419) 2.533 4.080 ( 2.490 3.670 -4.878) 6.593 4.144 ( 0.428 5.981 2.291) 6.419 4.244 ( 7.388 1.295 1.861) 7.728 4.338 ( 0.804 1.603 4.173) 4.542 4.438 ( -0.281 1.045 -0.824) 1.360 4.584 ( -4.406 1.660 -4.289) 6.369 4.634 ( -2.296 -5.216 -3.648) 6.766 4.681 ( -1.997 0.689 -4.365) 4.849 4.825 ( 0.969 2.046 4.731) 5.245 4.910 ( -2.674 3.277 2.334) 4.831 4.979 ( -1.315 -1.481 -1.268) 2.352 5.004 ( 1.821 -0.392 -2.895) 3.442 5.084 ( 3.216 -4.155 5.677) 7.736 5.365 ( -1.889 -2.356 -6.952) 7.579 5.439 ( 1.658 -0.025 2.334) 2.863 5.499 ( -3.562 -0.535 0.182) 3.607 5.703 ( 1.840 -1.960 2.545) 3.702 5.890 ( -5.948 -4.264 0.368) 7.328 5.967 ( -0.132 1.230 4.136) 4.317 6.012 ( 3.799 0.503 -1.918) 4.285 6.924 ( -1.527 -1.440 4.816) 5.253 7.072 ( -1.524 -1.618 -4.547) 5.062 7.557 ( 1.890 1.995 5.652) 6.285 7.766 ( 0.255 0.182 -7.305) 7.312 8.086 ( 5.474 1.347 -0.547) 5.664 8.140 ( -2.220 1.688 0.122) 2.791 8.194 ( 1.729 1.072 4.004) 4.491 8.271 ( 0.658 -2.106 2.213) 3.125 8.414 ( -2.692 0.014 -2.225) 3.492 8.482 ( -0.472 -1.175 -0.377) 1.322 8.544 ( -0.615 0.435 -2.905) 3.001 8.634 ( -2.259 0.114 -1.626) 2.786 8.706 ( 2.479 0.713 2.184) 3.380 8.791 ( -0.517 0.244 -2.073) 2.151 9.156 ( 4.229 -0.557 2.295) 4.844 9.316 ( -4.952 1.088 -1.794) 5.379 9.431 ( 0.565 -1.098 3.708) 3.908 9.602 ( -3.886 -2.726 -4.005) 6.211 10.144 ( -0.800 0.118 8.266) 8.305 10.339 ( 3.618 2.504 8.695) 9.745 10.404 ( 4.452 -1.551 -13.959) 14.733 10.736 ( 0.175 2.781 -5.432) 6.105 10.787 ( 1.544 -0.086 3.232) 3.583 11.082 ( -4.166 -0.772 -5.093) 6.625 12.227 ( -2.846 -0.521 12.880) 13.201 12.457 ( 1.540 -1.950 -7.089) 7.512 13.339 ( -0.076 0.090 1.049) 1.055 13.361 ( 0.688 0.161 -1.088) 1.297 14.298 ( -0.187 0.894 3.034) 3.168 14.367 ( 2.242 0.591 -2.158) 3.167 14.542 ( -1.784 2.170 1.760) 3.315 14.609 ( 0.459 -1.454 -2.784) 3.174 20.942 ( -3.217 -1.285 4.039) 5.321 21.119 ( 1.511 -0.223 -10.801) 10.908 21.310 ( 1.756 4.736 15.634) 16.430 21.572 ( -0.309 -0.088 -0.108) 0.339 21.574 ( -0.499 -0.207 0.386) 0.664 21.638 ( 5.627 2.626 -10.336) 12.058 23.330 ( 1.514 -1.405 5.355) 5.740 23.463 ( -1.810 -1.093 1.016) 2.346 23.827 ( -4.378 -1.861 -2.706) 5.474 23.927 ( -1.915 -0.229 -7.070) 7.329 24.032 ( 2.917 -2.436 7.461) 8.373 24.229 ( 1.532 3.206 -4.019) 5.364 24.346 ( 2.840 -0.893 -0.466) 3.013 24.362 ( -2.937 0.397 -0.375) 2.988 24.431 ( 2.913 -0.115 -0.022) 2.915 24.492 ( -2.159 0.312 1.151) 2.467 24.660 ( -3.497 0.949 3.580) 5.093 24.740 ( -1.124 -3.757 -2.635) 4.725 ======================= Grid point 155 (77/93) ======================= q-point: (-0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 1.423 15.291 8.165) 17.392 1.899 ( -0.442 15.745 1.061) 15.787 1.947 ( -0.525 7.419 -6.551) 9.911 2.084 ( -1.991 4.695 -8.258) 9.706 2.322 ( -3.683 -3.903 -1.010) 5.461 2.359 ( 4.387 -4.838 -3.814) 7.563 2.592 ( 0.786 -1.996 4.327) 4.830 2.722 ( -2.685 -1.898 -7.803) 8.467 2.890 ( 1.896 -11.677 7.461) 13.986 2.968 ( -1.495 -8.280 -1.801) 8.604 3.000 ( 2.533 0.294 2.635) 3.667 3.071 ( 0.656 -1.313 -3.746) 4.023 3.189 ( 2.945 -6.492 0.909) 7.187 3.237 ( -1.315 -9.249 -0.578) 9.360 3.300 ( 0.200 2.344 3.867) 4.527 3.355 ( -1.468 -1.621 -0.330) 2.212 3.551 ( -7.017 5.181 5.463) 10.292 3.588 ( 3.731 -1.844 1.027) 4.287 3.740 ( 0.876 0.504 9.456) 9.510 3.945 ( 5.809 1.704 -5.261) 8.021 3.987 ( -1.887 2.079 -4.206) 5.058 4.017 ( 1.847 6.757 -5.481) 8.894 4.253 ( 5.575 2.220 -2.267) 6.415 4.305 ( -5.208 2.945 -5.237) 7.952 4.458 ( 6.410 -1.876 5.995) 8.975 4.565 ( -0.130 3.332 0.256) 3.345 4.582 ( -6.673 -0.965 -3.924) 7.801 4.626 ( -0.472 3.000 -4.877) 5.745 4.792 ( -1.206 3.477 4.544) 5.847 4.818 ( -2.123 4.552 2.240) 5.499 5.027 ( 1.548 -5.660 3.011) 6.595 5.094 ( 0.130 -8.906 -3.798) 9.683 5.203 ( 2.777 -0.991 6.057) 6.737 5.320 ( -4.727 0.863 -4.390) 6.508 5.453 ( -6.264 -3.822 2.872) 7.880 5.535 ( 6.326 -1.776 -3.121) 7.274 5.749 ( 1.075 0.329 7.132) 7.220 5.881 ( -4.724 -1.881 -4.263) 6.635 5.964 ( 0.031 1.117 4.292) 4.436 6.014 ( 2.955 2.151 -1.214) 3.851 7.025 ( 0.662 -7.645 5.391) 9.378 7.122 ( -0.490 -6.742 -4.549) 8.148 7.532 ( 0.609 4.750 5.920) 7.614 7.675 ( -0.931 5.672 -8.284) 10.083 8.015 ( -4.234 4.737 4.696) 7.901 8.112 ( 3.198 2.944 -4.889) 6.542 8.254 ( 5.174 0.444 4.359) 6.780 8.336 ( -2.183 -3.587 -2.909) 5.108 8.391 ( -2.164 -2.367 0.815) 3.309 8.443 ( -1.666 0.586 -4.007) 4.379 8.573 ( 2.974 -1.447 1.873) 3.801 8.609 ( -0.750 0.224 -1.587) 1.769 8.716 ( 2.365 2.047 1.132) 3.326 8.744 ( -1.460 2.602 -1.354) 3.276 9.215 ( 2.796 0.269 3.453) 4.451 9.265 ( -2.414 -0.587 -1.855) 3.101 9.516 ( 2.564 -4.691 3.297) 6.281 9.588 ( -4.781 -2.846 -3.481) 6.563 10.129 ( -2.328 4.054 9.060) 10.195 10.348 ( 4.322 3.844 6.204) 8.482 10.392 ( 1.799 1.659 -11.775) 12.027 10.618 ( -0.629 3.616 -14.835) 15.282 10.894 ( 3.683 -4.087 10.654) 11.991 11.055 ( -3.695 -3.461 -5.792) 7.692 12.257 ( -4.414 -0.636 14.288) 14.968 12.466 ( 2.713 -0.181 -7.829) 8.288 13.333 ( -0.376 0.750 0.966) 1.279 13.353 ( 0.440 0.851 -1.087) 1.449 14.280 ( -1.158 1.713 3.348) 3.935 14.361 ( 1.810 1.606 -4.420) 5.039 14.510 ( 0.399 1.629 4.808) 5.092 14.610 ( -0.817 -0.271 -5.122) 5.194 20.945 ( -3.872 -0.763 5.464) 6.741 21.067 ( -0.378 2.213 -5.188) 5.653 21.313 ( 2.806 3.412 8.765) 9.816 21.544 ( 0.582 2.773 -9.962) 10.358 21.575 ( -0.100 -0.137 0.184) 0.250 21.595 ( 3.546 1.936 -6.465) 7.623 23.388 ( 0.223 -0.729 5.919) 5.968 23.451 ( -0.712 0.528 -0.496) 1.016 23.807 ( -4.290 -1.701 -0.508) 4.643 23.888 ( 0.977 -0.023 -7.212) 7.278 24.120 ( 1.252 -0.613 5.582) 5.753 24.180 ( 0.132 2.254 -1.858) 2.924 24.356 ( 1.194 1.390 2.192) 2.857 24.362 ( -2.300 0.068 1.112) 2.556 24.452 ( 2.033 1.254 0.579) 2.457 24.456 ( -0.221 1.108 0.429) 1.209 24.672 ( -2.272 -6.815 11.426) 13.497 24.887 ( 1.407 -12.591 -9.676) 15.942 ======================= Grid point 156 (78/93) ======================= q-point: (-0.12 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 4.557 16.218 7.913) 18.612 1.732 ( 3.180 10.963 12.954) 17.266 1.748 ( -1.271 8.958 -13.280) 16.069 1.934 ( 4.236 6.382 -13.371) 15.410 2.396 ( -7.816 -9.528 0.051) 12.324 2.518 ( 2.626 -8.036 -0.969) 8.510 2.668 ( 2.486 -4.251 3.701) 6.160 2.726 ( 0.821 -2.450 -5.698) 6.257 2.990 ( -8.597 -4.474 0.343) 9.697 3.063 ( 0.632 -1.208 3.803) 4.040 3.075 ( -0.962 -3.375 -2.807) 4.494 3.115 ( 2.882 -4.414 3.682) 6.430 3.249 ( -1.950 4.419 4.788) 6.801 3.285 ( -4.183 -2.230 2.427) 5.326 3.335 ( 1.751 -0.816 0.597) 2.022 3.406 ( 3.954 -1.703 2.174) 4.823 3.488 ( 0.025 -2.895 4.025) 4.958 3.646 ( 6.505 -0.061 -4.173) 7.729 3.778 ( -0.782 5.979 -5.924) 8.453 3.805 ( 0.442 2.485 -0.713) 2.623 3.953 ( -7.229 -5.945 -7.806) 12.188 4.077 ( 9.231 -4.457 4.452) 11.175 4.147 ( -8.070 1.806 -3.761) 9.085 4.316 ( 4.910 -0.155 -3.738) 6.173 4.423 ( -2.043 7.863 -0.058) 8.125 4.491 ( 3.935 6.796 -1.817) 8.061 4.533 ( -5.246 -0.017 -2.247) 5.707 4.637 ( 6.308 -2.094 3.964) 7.739 4.709 ( -3.881 3.967 -0.571) 5.579 4.764 ( 3.472 4.086 2.150) 5.777 5.154 ( -5.296 5.913 5.029) 9.397 5.215 ( -3.630 -11.129 3.953) 12.355 5.256 ( 2.885 -1.763 1.840) 3.849 5.289 ( -1.658 -13.019 -3.398) 13.556 5.503 ( -2.606 -5.848 1.676) 6.619 5.613 ( 3.587 -1.847 -1.655) 4.361 5.783 ( -0.984 -0.870 7.668) 7.780 5.845 ( -2.608 -0.911 -4.499) 5.279 5.935 ( -1.729 2.867 -0.313) 3.362 6.002 ( 3.605 2.834 -0.434) 4.606 7.195 ( -3.240 -9.497 2.274) 10.289 7.240 ( -0.643 -9.342 -1.572) 9.496 7.464 ( -0.758 4.777 3.022) 5.703 7.538 ( 2.683 6.544 -4.294) 8.274 7.914 ( -3.281 5.040 5.103) 7.887 8.039 ( 2.710 5.506 -4.719) 7.741 8.238 ( -5.469 3.873 -2.707) 7.228 8.331 ( 5.820 0.813 2.473) 6.376 8.446 ( -1.334 -2.212 -1.679) 3.080 8.471 ( 1.188 -4.151 0.066) 4.319 8.600 ( -1.256 -2.058 -0.395) 2.443 8.643 ( 2.072 -1.203 0.330) 2.418 8.672 ( 0.892 4.164 0.750) 4.324 8.714 ( 3.895 0.907 -2.307) 4.617 9.157 ( -6.509 4.380 0.982) 7.907 9.306 ( 7.137 0.098 0.471) 7.154 9.587 ( -4.040 -3.021 1.012) 5.145 9.646 ( 1.616 -5.746 0.546) 5.994 10.019 ( -3.458 9.204 8.548) 13.028 10.253 ( 4.845 9.556 -17.042) 20.130 10.373 ( 0.179 0.695 11.364) 11.386 10.533 ( 1.321 0.265 -13.727) 13.793 11.028 ( -2.761 -5.748 3.955) 7.503 11.109 ( 2.139 -6.196 -0.588) 6.581 12.266 ( -6.076 -0.559 11.680) 13.178 12.460 ( 3.502 1.314 -6.097) 7.153 13.317 ( -0.300 0.993 0.840) 1.335 13.336 ( 0.571 1.067 -1.001) 1.571 14.245 ( -1.262 2.296 2.995) 3.979 14.323 ( 2.190 2.318 -3.666) 4.859 14.518 ( 1.749 2.605 5.112) 5.998 14.563 ( -0.460 1.509 -6.308) 6.502 20.924 ( -4.302 0.319 4.715) 6.390 21.035 ( 2.257 1.304 0.375) 2.633 21.295 ( -0.430 2.947 1.007) 3.144 21.433 ( 4.999 6.787 -12.157) 14.793 21.577 ( -0.100 -0.124 0.135) 0.209 21.588 ( 0.929 0.363 -1.088) 1.476 23.370 ( -4.450 0.843 1.831) 4.885 23.459 ( 2.986 0.945 0.846) 3.244 23.799 ( -3.508 -1.566 1.985) 4.324 23.898 ( 3.278 -0.738 -2.991) 4.499 24.118 ( -1.051 1.632 0.186) 1.950 24.140 ( 0.548 1.918 -0.757) 2.134 24.297 ( -2.658 1.920 -0.068) 3.280 24.366 ( 3.794 2.603 1.037) 4.717 24.432 ( 0.168 1.914 -0.324) 1.949 24.451 ( 1.502 1.588 0.822) 2.336 24.925 ( -3.401 -17.022 16.962) 24.270 25.097 ( -2.760 -16.664 -11.967) 20.700 ======================= Grid point 160 (79/93) ======================= q-point: ( 0.38 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 21.792 0.000 2.163) 21.899 1.596 ( 15.815 0.000 -12.087) 19.905 2.045 ( 11.152 0.000 14.106) 17.982 2.070 ( 1.544 0.000 8.801) 8.935 2.215 ( -8.909 -0.000 3.831) 9.698 2.622 ( -7.294 -0.000 -6.299) 9.638 2.779 ( 1.665 0.000 5.153) 5.415 2.789 ( -7.444 -0.000 -10.778) 13.098 2.861 ( -11.729 -0.000 -4.485) 12.557 2.912 ( -0.753 -0.000 -16.780) 16.797 3.097 ( -4.683 -0.000 -9.424) 10.524 3.120 ( 0.052 0.000 -0.551) 0.553 3.256 ( 1.764 0.000 2.768) 3.282 3.331 ( -6.875 -0.000 9.979) 12.118 3.340 ( -1.396 -0.000 3.620) 3.879 3.448 ( -5.280 -0.000 -6.918) 8.703 3.522 ( 2.039 0.000 4.110) 4.588 3.616 ( -6.290 -0.000 -0.512) 6.311 3.751 ( 8.892 0.000 -8.422) 12.247 3.919 ( -4.335 -0.000 11.523) 12.312 4.001 ( -0.603 -0.000 13.524) 13.537 4.082 ( 2.010 0.000 8.879) 9.104 4.151 ( -3.407 -0.000 -2.432) 4.186 4.348 ( 4.584 0.000 -0.038) 4.584 4.469 ( 2.084 0.000 0.057) 2.084 4.489 ( 10.030 0.000 3.930) 10.773 4.664 ( 2.458 0.000 -0.678) 2.550 4.694 ( 4.971 0.000 0.080) 4.971 4.775 ( 4.546 0.000 4.301) 6.258 4.829 ( 1.429 0.000 -3.619) 3.891 4.990 ( -1.043 -0.000 0.090) 1.047 5.118 ( -8.964 -0.000 -5.937) 10.752 5.131 ( -10.695 -0.000 2.387) 10.958 5.274 ( 7.444 0.000 -14.031) 15.884 5.536 ( -0.885 -0.000 1.348) 1.612 5.598 ( -7.009 -0.000 4.396) 8.274 5.621 ( -1.298 -0.000 -0.666) 1.459 5.750 ( -4.965 -0.000 -3.369) 6.000 5.901 ( 4.326 0.000 1.378) 4.541 6.022 ( 2.335 0.000 -0.263) 2.350 7.093 ( -5.864 -0.000 0.970) 5.944 7.182 ( -8.714 -0.000 -0.440) 8.725 7.543 ( 4.963 0.000 -0.350) 4.975 7.586 ( 1.587 0.000 0.886) 1.818 8.002 ( 6.464 0.000 1.451) 6.625 8.005 ( 2.079 0.000 3.231) 3.842 8.297 ( 2.803 0.000 -0.059) 2.803 8.309 ( -4.430 -0.000 -1.701) 4.746 8.438 ( -4.049 -0.000 -0.291) 4.060 8.461 ( 0.154 0.000 2.412) 2.417 8.566 ( 2.003 0.000 -1.602) 2.565 8.615 ( 3.081 0.000 -5.786) 6.555 8.704 ( -0.638 -0.000 -0.427) 0.768 8.743 ( -0.832 -0.000 1.014) 1.311 9.162 ( 5.585 0.000 1.097) 5.692 9.467 ( -7.203 -0.000 -0.115) 7.204 9.492 ( -5.771 -0.000 3.141) 6.571 9.520 ( 2.178 0.000 -4.384) 4.895 10.054 ( 3.574 0.000 7.735) 8.521 10.211 ( 4.479 0.000 8.585) 9.683 10.378 ( 9.168 0.000 -16.226) 18.637 10.724 ( 1.013 0.000 11.364) 11.410 10.979 ( -9.789 -0.000 -2.660) 10.144 11.144 ( 1.229 0.000 -7.486) 7.586 12.242 ( -4.972 -0.000 8.107) 9.510 12.308 ( 3.292 0.000 -6.376) 7.176 13.321 ( 0.529 0.000 1.038) 1.166 13.341 ( 1.328 0.000 -0.944) 1.629 14.314 ( 1.932 0.000 3.577) 4.066 14.349 ( 1.867 0.000 -0.131) 1.872 14.549 ( 2.296 0.000 -3.385) 4.090 14.601 ( -0.432 -0.000 2.736) 2.770 20.922 ( -2.599 -0.000 1.656) 3.082 21.044 ( 1.974 0.000 -8.890) 9.106 21.392 ( 1.750 0.000 23.730) 23.794 21.570 ( -0.074 -0.000 0.034) 0.081 21.575 ( 0.809 0.000 -0.282) 0.857 21.658 ( 11.659 0.000 -1.155) 11.716 23.271 ( -2.937 -0.000 4.840) 5.662 23.386 ( 1.338 0.000 -5.044) 5.218 23.825 ( -3.540 -0.000 -5.001) 6.128 23.901 ( -1.858 -0.000 0.974) 2.098 23.923 ( 2.149 0.000 2.685) 3.439 24.300 ( 2.484 0.000 -5.521) 6.054 24.345 ( 1.000 0.000 -0.531) 1.133 24.361 ( -0.239 -0.000 -0.139) 0.276 24.447 ( 1.569 0.000 -0.152) 1.577 24.528 ( 3.270 0.000 -1.767) 3.716 24.629 ( -7.159 -0.000 -14.308) 16.000 25.027 ( -17.738 -0.000 8.551) 19.692 ======================= Grid point 161 (80/93) ======================= q-point: ( 0.50 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 15.472 -2.289 -6.231) 16.836 1.834 ( 18.132 -5.852 9.195) 21.156 2.041 ( -6.772 -2.410 0.375) 7.198 2.220 ( 9.145 -0.973 9.576) 13.277 2.268 ( 3.904 -2.765 12.765) 13.632 2.541 ( -9.417 -3.488 -6.710) 12.078 2.653 ( -4.231 3.832 -4.920) 7.536 2.710 ( -7.751 1.284 -5.978) 9.872 2.803 ( -5.888 -0.833 -5.045) 7.798 2.836 ( -3.531 1.911 -6.291) 7.463 2.953 ( -3.726 3.866 -5.485) 7.676 3.118 ( -3.365 0.623 -3.390) 4.817 3.200 ( 2.725 5.819 1.454) 6.588 3.241 ( -1.844 3.990 0.886) 4.484 3.318 ( -3.650 2.167 0.747) 4.311 3.379 ( -4.695 -0.579 -1.375) 4.926 3.540 ( 2.605 2.551 2.708) 4.541 3.609 ( -4.171 -1.746 -1.549) 4.779 3.781 ( 7.939 1.824 -1.003) 8.208 3.900 ( -7.787 -1.041 2.286) 8.182 4.096 ( 1.145 -5.365 10.962) 12.258 4.129 ( 6.486 -0.800 6.808) 9.437 4.226 ( 7.332 -2.607 2.979) 8.332 4.374 ( -2.505 -0.053 -0.201) 2.513 4.492 ( 2.315 -0.948 -2.437) 3.492 4.548 ( 2.795 4.093 2.915) 5.750 4.633 ( 3.752 -0.515 -4.738) 6.065 4.738 ( -5.094 3.458 -4.714) 7.754 4.837 ( 3.473 -0.484 -0.033) 3.506 4.881 ( 5.232 -2.688 6.888) 9.058 4.971 ( -1.653 -0.370 1.516) 2.274 5.020 ( -4.769 -1.158 -3.825) 6.222 5.046 ( -7.366 1.283 4.025) 8.492 5.278 ( 5.139 0.002 -14.592) 15.470 5.508 ( -3.256 2.799 5.361) 6.868 5.553 ( -0.569 0.786 0.417) 1.056 5.621 ( 0.390 -1.332 1.336) 1.927 5.739 ( -3.354 -3.905 -2.122) 5.568 5.957 ( 2.630 -1.059 0.615) 2.901 6.017 ( 1.266 1.680 -1.290) 2.468 7.014 ( -2.817 3.928 2.345) 5.373 7.101 ( -4.765 1.061 -1.859) 5.223 7.569 ( 2.024 0.093 2.923) 3.557 7.656 ( 1.612 -4.661 -3.011) 5.778 8.053 ( 0.161 -2.658 3.086) 4.076 8.078 ( 6.047 -0.976 -0.471) 6.143 8.253 ( -2.858 0.758 1.359) 3.255 8.347 ( 1.341 -2.112 -0.319) 2.522 8.368 ( -2.361 3.580 0.521) 4.320 8.474 ( -0.991 -0.525 0.490) 1.223 8.561 ( -0.714 0.626 -0.853) 1.276 8.624 ( 0.860 0.166 -3.124) 3.245 8.719 ( 1.136 -0.799 -0.909) 1.660 8.733 ( -0.847 -1.304 -0.371) 1.599 9.204 ( 6.363 2.330 1.347) 6.909 9.379 ( -6.657 1.740 -1.220) 6.988 9.446 ( -4.979 0.485 4.687) 6.855 9.531 ( 1.506 -1.000 -5.353) 5.650 10.110 ( -0.302 -0.993 8.333) 8.397 10.306 ( 5.233 -1.782 3.102) 6.339 10.412 ( 8.378 0.441 -9.054) 12.343 10.761 ( -1.694 -1.133 0.860) 2.212 10.860 ( -5.476 3.309 3.387) 7.239 11.117 ( 0.829 1.486 -8.025) 8.204 12.215 ( -4.499 0.252 9.203) 10.248 12.353 ( 2.641 -3.147 -6.006) 7.277 13.331 ( 0.165 -0.274 1.073) 1.120 13.352 ( 0.930 -0.342 -0.994) 1.403 14.331 ( 0.784 0.967 3.194) 3.428 14.370 ( 1.289 -0.349 -0.445) 1.408 14.570 ( 2.675 -0.779 -2.510) 3.750 14.589 ( -2.404 0.609 1.316) 2.808 20.909 ( -2.431 -0.342 3.358) 4.159 21.050 ( 2.061 -2.353 -9.913) 10.395 21.459 ( -1.230 2.956 22.183) 22.413 21.570 ( -0.091 0.044 0.121) 0.158 21.575 ( -0.165 0.104 -0.015) 0.196 21.748 ( 12.200 2.711 -5.517) 13.661 23.276 ( -1.737 -1.221 5.828) 6.203 23.397 ( 0.752 -1.879 -3.670) 4.191 23.780 ( -3.640 -0.706 -2.534) 4.491 23.887 ( -2.262 -0.885 -0.796) 2.556 23.971 ( 2.368 -1.374 2.378) 3.626 24.265 ( -3.087 -0.735 -13.022) 13.403 24.341 ( 1.888 0.841 -0.879) 2.246 24.368 ( -2.548 -0.792 -0.897) 2.815 24.438 ( -1.818 1.179 -2.128) 3.037 24.462 ( -0.691 -0.573 -0.171) 0.915 24.672 ( 12.098 1.292 -1.321) 12.239 24.858 ( -15.384 3.342 7.023) 17.238 ======================= Grid point 162 (81/93) ======================= q-point: (-0.38 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -5.006 -4.847 3.543) 7.817 1.974 ( 6.155 -4.808 -5.261) 9.417 2.189 ( 8.445 0.374 7.513) 11.309 2.260 ( 0.919 6.152 5.920) 8.587 2.415 ( 2.262 -8.053 10.534) 13.451 2.467 ( -12.687 0.236 -7.038) 14.510 2.573 ( 3.926 2.376 -3.178) 5.582 2.605 ( 0.236 1.132 -4.471) 4.618 2.722 ( -8.145 -1.452 -4.407) 9.374 2.742 ( 0.284 3.825 -0.565) 3.877 2.938 ( 4.045 -3.483 -2.321) 5.821 2.991 ( -2.899 4.305 -4.299) 6.739 3.143 ( 0.425 4.891 1.099) 5.031 3.185 ( 0.595 2.366 -3.324) 4.123 3.305 ( -0.490 -2.273 2.830) 3.663 3.363 ( 0.797 -0.619 -1.464) 1.778 3.507 ( 0.030 2.374 3.527) 4.252 3.576 ( -3.254 -0.635 -3.303) 4.680 3.840 ( -6.700 -1.733 3.219) 7.632 3.875 ( 9.648 0.528 -0.311) 9.667 4.184 ( -0.759 2.097 4.881) 5.366 4.217 ( 5.929 1.386 3.473) 7.009 4.337 ( -1.080 0.470 -0.251) 1.204 4.364 ( 6.443 0.422 1.533) 6.636 4.469 ( -1.428 2.287 -2.144) 3.445 4.520 ( -0.473 -2.931 -5.185) 5.974 4.575 ( -6.327 3.024 1.128) 7.102 4.658 ( 2.424 0.893 -4.768) 5.423 4.872 ( 0.830 1.104 1.683) 2.177 4.923 ( -6.239 -0.287 1.354) 6.390 4.960 ( 2.299 1.107 0.792) 2.672 5.003 ( -0.359 -0.391 -1.439) 1.534 5.065 ( 1.840 -4.407 8.112) 9.413 5.269 ( -1.159 -1.951 -11.031) 11.262 5.438 ( -5.110 2.680 6.177) 8.453 5.555 ( 6.700 1.966 -3.999) 8.047 5.685 ( 1.420 -3.302 4.386) 5.671 5.767 ( -3.383 -3.808 -2.027) 5.482 5.969 ( -2.401 -0.500 2.596) 3.571 6.028 ( 2.743 -0.948 -2.099) 3.581 6.952 ( 0.559 2.920 4.476) 5.374 7.040 ( -0.322 1.197 -4.451) 4.621 7.604 ( 0.050 -0.494 5.484) 5.506 7.716 ( 0.036 -2.857 -5.952) 6.603 8.096 ( -4.773 -1.698 2.173) 5.512 8.138 ( 3.540 -1.099 -1.823) 4.131 8.239 ( 2.000 0.824 4.165) 4.693 8.303 ( 0.276 2.090 -0.522) 2.172 8.387 ( 1.454 -0.073 1.289) 1.945 8.449 ( -3.148 -0.109 -3.569) 4.761 8.554 ( -0.182 -0.244 2.293) 2.314 8.605 ( -0.277 0.324 -3.050) 3.080 8.724 ( -0.926 -0.762 1.802) 2.165 8.770 ( 0.966 -1.465 -2.628) 3.160 9.229 ( 4.914 2.142 1.969) 5.710 9.282 ( -3.114 1.787 -3.538) 5.040 9.430 ( -2.374 -0.854 6.071) 6.575 9.533 ( -0.362 -0.668 -4.146) 4.215 10.146 ( -2.709 -1.184 8.054) 8.580 10.374 ( 5.733 -1.337 -11.228) 12.678 10.462 ( 5.679 1.892 7.323) 9.458 10.696 ( -5.440 0.083 -12.745) 13.857 10.844 ( 1.377 0.833 12.163) 12.269 11.048 ( -0.214 2.601 -8.607) 8.994 12.220 ( -5.438 -1.334 12.220) 13.442 12.408 ( 3.136 -2.809 -7.333) 8.456 13.340 ( -0.328 -0.253 1.074) 1.151 13.361 ( 0.403 -0.283 -1.091) 1.197 14.326 ( -0.519 1.139 3.077) 3.322 14.382 ( 1.421 -0.008 -2.125) 2.556 14.552 ( -2.855 0.815 1.731) 3.437 14.599 ( 2.501 -0.260 -2.402) 3.477 20.912 ( -2.758 -0.845 5.826) 6.501 21.073 ( 2.100 -2.037 -10.840) 11.228 21.441 ( -4.792 4.310 17.913) 19.037 21.566 ( -0.240 0.186 0.130) 0.330 21.573 ( -0.001 0.008 -0.011) 0.014 21.759 ( 11.831 5.535 -12.548) 18.113 23.325 ( -0.579 -2.506 7.314) 7.753 23.427 ( 0.350 -1.966 -2.671) 3.335 23.757 ( -3.383 -0.989 1.235) 3.735 23.873 ( -1.643 -1.049 -5.136) 5.494 24.041 ( 2.256 -2.396 6.018) 6.858 24.203 ( -3.555 -1.960 -10.323) 11.092 24.335 ( -2.346 -0.031 0.359) 2.374 24.349 ( 2.386 0.485 -1.188) 2.709 24.454 ( -1.149 -0.727 0.821) 1.588 24.461 ( 0.964 -1.293 0.133) 1.618 24.680 ( -10.951 3.618 5.431) 12.748 24.754 ( 11.449 2.632 -2.358) 11.982 ======================= Grid point 163 (82/93) ======================= q-point: (-0.25 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( -12.491 -6.802 1.434) 14.295 2.079 ( 5.549 2.571 -1.414) 6.277 2.133 ( 1.442 9.453 2.276) 9.830 2.198 ( 5.108 8.398 4.466) 10.797 2.290 ( -6.805 -0.303 -4.329) 8.071 2.434 ( 2.769 12.992 -5.937) 14.550 2.585 ( -5.240 -5.464 0.601) 7.595 2.645 ( 4.151 2.076 7.065) 8.453 2.675 ( -7.637 -7.099 -1.002) 10.475 2.834 ( 7.986 -10.858 0.135) 13.479 2.967 ( -0.721 -3.648 -4.451) 5.800 3.059 ( -0.867 -0.154 -0.347) 0.947 3.121 ( 1.771 1.545 0.956) 2.537 3.154 ( 7.785 -6.767 -4.995) 11.460 3.323 ( -1.397 0.106 0.977) 1.708 3.377 ( 2.795 1.978 2.059) 3.996 3.514 ( -4.726 0.378 1.979) 5.137 3.576 ( 2.099 -4.720 -0.132) 5.168 3.809 ( -3.089 0.912 6.033) 6.839 3.924 ( 0.863 0.916 -7.511) 7.615 4.069 ( -3.764 7.823 -1.746) 8.855 4.181 ( 6.075 7.946 -1.870) 10.175 4.290 ( -2.865 3.060 -3.716) 5.602 4.360 ( 4.901 1.364 0.607) 5.123 4.466 ( -5.297 0.579 -0.450) 5.347 4.533 ( 3.340 -1.438 2.676) 4.515 4.572 ( 0.011 -2.306 1.590) 2.801 4.636 ( 1.365 0.563 -3.789) 4.067 4.818 ( -4.640 1.997 5.914) 7.778 4.909 ( -1.217 3.034 4.412) 5.491 4.954 ( 0.082 -4.268 -4.088) 5.910 5.027 ( 3.653 0.810 -1.683) 4.103 5.200 ( 0.108 -4.366 8.085) 9.189 5.233 ( -4.702 -1.880 -7.964) 9.437 5.385 ( -2.301 0.009 4.500) 5.054 5.581 ( 6.722 0.663 -5.003) 8.405 5.768 ( -1.996 -2.787 2.903) 4.492 5.788 ( -0.292 -1.653 1.813) 2.471 5.974 ( -2.121 -1.191 2.806) 3.714 6.051 ( 1.901 0.079 -2.346) 3.020 6.968 ( 1.087 -1.638 4.405) 4.824 7.033 ( 2.331 -1.547 -4.645) 5.423 7.608 ( -2.488 1.691 5.208) 6.014 7.706 ( 0.469 1.166 -5.948) 6.080 8.032 ( -6.471 1.938 3.585) 7.647 8.170 ( 1.611 0.693 -1.985) 2.649 8.271 ( -0.407 -0.190 -0.620) 0.765 8.289 ( 2.152 -0.489 -1.426) 2.627 8.384 ( -0.695 1.282 3.512) 3.803 8.424 ( 0.723 -0.071 -0.996) 1.233 8.572 ( -0.886 -2.296 -2.897) 3.801 8.611 ( 3.685 0.173 0.772) 3.769 8.730 ( -1.771 -0.331 0.646) 1.914 8.774 ( 0.628 0.657 -1.280) 1.570 9.201 ( -3.677 -0.034 -1.971) 4.172 9.288 ( 6.345 0.693 0.680) 6.419 9.471 ( -2.189 -2.819 2.983) 4.651 9.527 ( 0.989 -0.805 0.245) 1.299 10.158 ( -3.972 -0.189 8.337) 9.237 10.385 ( 4.490 -0.017 -15.564) 16.199 10.487 ( 2.010 4.262 11.628) 12.546 10.592 ( -2.610 1.065 -13.158) 13.456 10.918 ( 2.080 -1.182 7.095) 7.488 10.983 ( 0.840 0.104 -5.511) 5.576 12.234 ( -6.835 -1.486 12.685) 14.485 12.453 ( 3.873 -1.681 -7.223) 8.367 13.340 ( -0.609 0.144 1.029) 1.205 13.360 ( 0.125 0.137 -1.142) 1.157 14.306 ( -1.408 1.349 3.258) 3.797 14.376 ( 0.769 0.550 -4.688) 4.783 14.536 ( -1.007 -0.249 3.845) 3.983 14.603 ( 1.802 1.094 -3.015) 3.679 20.921 ( -3.397 -0.560 7.446) 8.203 21.071 ( 1.538 0.002 -6.821) 6.992 21.374 ( -6.210 2.639 8.163) 10.591 21.561 ( 0.351 0.493 -0.269) 0.663 21.574 ( 0.111 -0.047 -0.029) 0.124 21.711 ( 11.299 6.794 -14.922) 19.912 23.376 ( -2.912 -1.151 4.417) 5.414 23.454 ( 2.150 -1.310 -0.521) 2.571 23.754 ( -2.893 -0.784 5.209) 6.009 23.865 ( 1.288 -1.107 -5.154) 5.426 24.124 ( -0.952 -2.061 5.401) 5.858 24.175 ( -1.406 -0.572 -3.518) 3.831 24.335 ( -1.024 -2.524 0.713) 2.816 24.361 ( -0.418 0.594 0.122) 0.736 24.438 ( -2.252 -1.272 -1.065) 2.797 24.500 ( 1.553 0.348 0.468) 1.659 24.599 ( -4.404 -2.844 4.871) 7.156 24.800 ( 8.723 1.926 -4.440) 9.975 ======================= Grid point 164 (83/93) ======================= q-point: (-0.12 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( -1.905 -0.068 2.563) 3.194 1.937 ( 0.691 15.033 -1.458) 15.119 1.983 ( 6.911 12.856 0.430) 14.602 2.080 ( 4.460 6.443 -3.627) 8.635 2.222 ( -3.633 0.943 2.493) 4.506 2.414 ( 2.266 -4.964 0.236) 5.462 2.610 ( -1.702 -4.794 -3.906) 6.414 2.668 ( -2.575 -1.461 3.885) 4.884 2.773 ( -5.731 -9.624 0.685) 11.222 2.986 ( -0.651 -1.705 -7.411) 7.633 3.044 ( -0.058 -2.217 -1.192) 2.518 3.087 ( 4.856 -7.545 1.182) 9.051 3.172 ( 0.624 -2.014 1.827) 2.790 3.255 ( -1.171 -0.368 -1.345) 1.821 3.351 ( -2.740 1.856 0.817) 3.409 3.406 ( 6.245 -6.122 2.132) 9.002 3.484 ( -1.120 -2.199 6.326) 6.790 3.690 ( 3.691 -2.628 0.418) 4.550 3.799 ( -1.680 -0.209 1.076) 2.006 3.846 ( -2.918 1.575 -0.186) 3.321 3.884 ( -5.372 5.236 -10.511) 12.914 4.080 ( 3.801 6.849 -5.579) 9.617 4.163 ( -2.453 4.963 -3.020) 6.306 4.367 ( -5.570 1.287 -3.679) 6.799 4.415 ( 6.649 0.895 0.618) 6.738 4.585 ( 0.596 1.156 -0.415) 1.365 4.608 ( 2.194 4.120 1.982) 5.071 4.643 ( 2.321 -1.940 3.256) 4.445 4.785 ( 0.414 2.922 6.276) 6.935 4.871 ( 1.799 2.183 3.520) 4.516 5.030 ( -2.380 -3.416 -2.268) 4.741 5.065 ( -0.057 -8.275 -0.495) 8.290 5.176 ( -5.362 0.301 -2.708) 6.015 5.254 ( -1.933 -2.155 4.389) 5.258 5.443 ( 2.610 -2.739 3.227) 4.972 5.627 ( 4.289 -0.566 -2.167) 4.838 5.757 ( -3.995 -0.595 -2.996) 5.029 5.819 ( -1.154 -0.460 8.693) 8.782 5.962 ( -1.305 1.850 -1.105) 2.519 6.062 ( 2.873 0.613 -2.046) 3.580 7.035 ( -2.558 -4.992 0.152) 5.611 7.105 ( 1.599 -5.299 -0.409) 5.550 7.530 ( -3.429 4.107 -0.123) 5.352 7.669 ( 4.101 4.029 0.203) 5.753 7.959 ( -4.162 2.190 4.654) 6.616 8.124 ( 0.376 3.366 -2.723) 4.345 8.225 ( -2.587 1.955 -5.581) 6.455 8.335 ( -0.301 -3.432 0.264) 3.455 8.402 ( -0.395 -2.270 3.650) 4.317 8.444 ( 3.553 0.755 2.196) 4.244 8.585 ( -0.014 -1.074 -2.864) 3.059 8.660 ( 3.817 -0.009 -0.696) 3.880 8.702 ( -0.582 0.857 -2.568) 2.769 8.770 ( 2.027 0.717 0.717) 2.266 9.155 ( -3.630 1.389 -0.872) 3.983 9.348 ( 4.719 -0.797 0.339) 4.798 9.474 ( -4.389 -3.144 -1.562) 5.620 9.616 ( 3.713 -3.254 6.182) 7.912 10.124 ( -4.911 3.311 7.998) 9.952 10.320 ( 1.152 3.740 -14.896) 15.402 10.476 ( 2.021 2.282 7.077) 7.706 10.518 ( 1.445 2.373 -8.193) 8.651 10.918 ( -2.228 -2.229 -6.158) 6.918 11.077 ( 4.628 -3.598 6.291) 8.599 12.230 ( -7.210 -0.935 10.554) 12.816 12.483 ( 3.658 -0.189 -5.651) 6.734 13.331 ( -0.466 0.613 0.943) 1.217 13.352 ( 0.329 0.541 -1.098) 1.267 14.278 ( -1.306 1.700 2.819) 3.541 14.350 ( 0.533 0.642 -3.921) 4.009 14.556 ( -0.209 -0.190 -1.107) 1.142 14.583 ( 2.156 1.766 1.450) 3.141 20.917 ( -2.684 0.359 6.592) 7.127 21.071 ( 1.466 0.135 0.640) 1.606 21.293 ( -4.975 1.562 -2.159) 5.643 21.550 ( 2.171 2.090 -1.818) 3.519 21.576 ( 0.070 -0.050 -0.019) 0.088 21.646 ( 7.898 5.765 -10.172) 14.109 23.343 ( -4.141 0.690 0.141) 4.200 23.498 ( 1.969 -0.151 1.732) 2.626 23.768 ( -1.873 -0.611 7.737) 7.984 23.904 ( 4.065 -1.769 -1.778) 4.777 24.116 ( -3.020 0.337 -1.347) 3.324 24.156 ( -0.739 0.754 -0.909) 1.393 24.302 ( -3.285 2.124 -0.375) 3.930 24.397 ( 0.604 -2.375 2.100) 3.228 24.465 ( 1.644 -1.583 -2.518) 3.399 24.493 ( 0.903 1.778 0.913) 2.194 24.713 ( -2.997 -10.222 9.334) 14.163 24.842 ( 2.340 -3.507 -8.058) 9.094 ======================= Grid point 169 (84/93) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -14.330 -0.000 -0.505) 14.339 1.869 ( 16.489 0.000 -5.481) 17.376 2.120 ( 21.098 0.000 12.645) 24.597 2.318 ( -11.669 -0.000 7.067) 13.642 2.340 ( 5.720 0.000 8.605) 10.333 2.364 ( 2.076 0.000 -5.234) 5.631 2.602 ( -3.260 -0.000 0.021) 3.260 2.630 ( -7.325 -0.000 -4.728) 8.718 2.726 ( -8.462 -0.000 -8.530) 12.015 2.751 ( -3.343 -0.000 -11.135) 11.626 2.996 ( 2.648 0.000 2.133) 3.400 3.064 ( -3.193 -0.000 -3.140) 4.478 3.234 ( -3.132 -0.000 2.594) 4.067 3.271 ( -1.760 -0.000 -0.589) 1.856 3.338 ( 3.317 0.000 1.286) 3.558 3.369 ( 0.666 0.000 -2.708) 2.789 3.583 ( -1.033 -0.000 2.426) 2.636 3.600 ( 2.721 0.000 0.952) 2.883 3.746 ( -13.406 -0.000 9.034) 16.166 3.930 ( 14.552 0.000 -9.887) 17.593 4.102 ( 0.198 0.000 11.193) 11.194 4.175 ( 1.856 0.000 5.017) 5.349 4.279 ( 10.228 0.000 -0.645) 10.249 4.309 ( -6.213 -0.000 -3.813) 7.289 4.517 ( 2.592 0.000 -0.203) 2.600 4.592 ( -0.426 -0.000 -5.547) 5.563 4.707 ( 4.117 0.000 0.751) 4.185 4.713 ( -4.101 -0.000 1.895) 4.518 4.853 ( 0.574 0.000 -1.762) 1.853 4.898 ( -6.902 -0.000 0.813) 6.950 4.923 ( 2.357 0.000 6.213) 6.645 4.999 ( 3.175 0.000 0.883) 3.295 5.016 ( -4.977 -0.000 4.978) 7.040 5.256 ( 1.212 0.000 -16.481) 16.525 5.506 ( -5.495 -0.000 5.085) 7.487 5.568 ( 2.825 0.000 0.723) 2.916 5.618 ( 0.532 0.000 1.734) 1.814 5.668 ( -0.763 -0.000 -2.474) 2.589 5.989 ( 3.210 0.000 0.751) 3.297 6.034 ( 0.083 0.000 -3.495) 3.496 7.051 ( 1.336 0.000 1.218) 1.808 7.071 ( -1.281 -0.000 -0.597) 1.414 7.589 ( -2.020 -0.000 0.688) 2.134 7.607 ( 1.802 0.000 -0.680) 1.926 8.036 ( -1.153 -0.000 3.538) 3.721 8.101 ( 1.607 0.000 -2.878) 3.296 8.254 ( 1.012 0.000 3.230) 3.384 8.317 ( -1.263 -0.000 -2.278) 2.604 8.422 ( 3.074 0.000 1.610) 3.470 8.446 ( -2.379 -0.000 -0.600) 2.454 8.550 ( -3.591 -0.000 3.120) 4.757 8.629 ( 0.628 0.000 -4.444) 4.488 8.704 ( -1.868 -0.000 0.126) 1.872 8.718 ( 2.050 0.000 -0.750) 2.183 9.304 ( 7.923 0.000 0.834) 7.966 9.329 ( -5.503 -0.000 -1.711) 5.762 9.415 ( -5.121 -0.000 5.545) 7.548 9.524 ( 2.175 0.000 -4.899) 5.360 10.117 ( -2.812 -0.000 8.489) 8.942 10.348 ( 7.500 0.000 -9.841) 12.374 10.483 ( 7.406 0.000 4.443) 8.637 10.675 ( -6.875 -0.000 -10.087) 12.207 10.889 ( -2.720 -0.000 13.136) 13.415 11.120 ( 2.641 0.000 -9.929) 10.275 12.193 ( -6.654 -0.000 9.328) 11.458 12.338 ( 3.974 0.000 -5.536) 6.815 13.332 ( -0.340 -0.000 1.044) 1.098 13.352 ( 0.426 0.000 -1.011) 1.097 14.352 ( -0.784 -0.000 2.560) 2.677 14.377 ( 1.061 0.000 -0.077) 1.064 14.568 ( -3.482 -0.000 0.244) 3.490 14.589 ( 3.989 0.000 -1.901) 4.419 20.901 ( -1.422 -0.000 3.594) 3.865 21.012 ( 1.665 0.000 -8.048) 8.218 21.539 ( -4.841 -0.000 19.196) 19.797 21.573 ( -0.209 -0.000 -0.099) 0.231 21.574 ( 0.353 0.000 1.203) 1.253 21.875 ( 12.959 0.000 -10.957) 16.970 23.268 ( -1.890 -0.000 6.536) 6.804 23.371 ( 1.202 0.000 -4.875) 5.021 23.741 ( -2.784 -0.000 2.282) 3.599 23.848 ( -2.157 -0.000 -3.231) 3.885 23.995 ( 2.316 0.000 4.196) 4.793 24.152 ( -5.031 -0.000 -13.505) 14.412 24.350 ( -0.913 -0.000 0.171) 0.929 24.352 ( 0.402 0.000 -0.170) 0.436 24.436 ( -0.169 -0.000 0.697) 0.717 24.452 ( -0.459 -0.000 -0.719) 0.853 24.758 ( -14.491 -0.000 5.349) 15.447 24.822 ( 15.345 0.000 -1.466) 15.415 ======================= Grid point 170 (85/93) ======================= q-point: (-0.38 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -18.519 -3.025 0.521) 18.772 2.008 ( 6.593 -3.695 -6.567) 10.013 2.135 ( -16.498 -2.688 -7.218) 18.208 2.330 ( 4.841 1.092 2.964) 5.780 2.397 ( 3.517 1.791 6.420) 7.536 2.423 ( 2.095 -1.588 -0.458) 2.668 2.563 ( -2.234 -0.964 1.061) 2.655 2.621 ( -1.125 1.028 2.520) 2.945 2.653 ( 5.963 -0.695 2.766) 6.610 2.758 ( 3.867 -4.923 -2.941) 6.917 3.012 ( -2.792 1.974 -4.777) 5.874 3.021 ( 4.430 3.206 5.640) 7.856 3.197 ( -2.301 2.996 0.534) 3.815 3.250 ( -3.235 6.168 -0.910) 7.024 3.310 ( 6.405 1.131 1.283) 6.630 3.390 ( 8.517 -0.984 -1.454) 8.696 3.538 ( -3.387 3.291 3.013) 5.601 3.594 ( 0.003 2.858 0.979) 3.021 3.720 ( -6.808 -4.552 3.377) 8.859 4.000 ( 11.256 2.769 -6.071) 13.085 4.178 ( -1.287 -2.332 3.975) 4.785 4.248 ( -2.345 -4.712 -0.960) 5.350 4.258 ( -1.081 -2.893 -1.377) 3.381 4.410 ( 9.135 -2.762 -2.495) 9.864 4.501 ( -3.114 4.743 -5.026) 7.580 4.515 ( -0.249 1.183 -0.376) 1.266 4.592 ( -5.389 5.249 2.307) 7.868 4.723 ( 4.446 3.291 -1.003) 5.621 4.844 ( -5.902 -1.103 -1.779) 6.262 4.899 ( 0.824 -1.597 1.801) 2.544 4.941 ( -4.135 -0.116 3.971) 5.734 5.005 ( -2.706 -1.713 10.781) 11.246 5.066 ( 6.002 -1.040 0.180) 6.094 5.188 ( -2.361 -0.216 -13.388) 13.596 5.465 ( -3.185 1.832 4.946) 6.162 5.608 ( 3.771 -0.555 -1.932) 4.274 5.668 ( 2.487 -2.739 3.757) 5.272 5.682 ( 0.232 -2.540 -2.571) 3.621 5.968 ( -2.132 2.879 -0.670) 3.645 6.030 ( 1.764 -0.480 -2.134) 2.810 7.045 ( 3.152 3.267 1.300) 4.722 7.075 ( 4.648 1.770 -1.230) 5.123 7.581 ( -3.309 -1.799 2.232) 4.378 7.643 ( -0.229 -2.871 -2.228) 3.642 8.039 ( -3.702 -0.726 2.871) 4.741 8.105 ( -1.121 -2.061 -2.022) 3.098 8.285 ( 0.643 0.289 1.528) 1.683 8.317 ( 3.226 -1.731 -1.006) 3.797 8.403 ( -2.795 1.778 -2.289) 4.026 8.453 ( 4.002 1.232 2.020) 4.649 8.524 ( -4.526 -0.111 2.781) 5.313 8.606 ( -2.113 -0.736 -0.361) 2.266 8.700 ( 0.128 -0.307 -0.395) 0.517 8.748 ( 1.164 -1.239 -1.111) 2.031 9.248 ( -4.323 2.178 -3.109) 5.753 9.367 ( 8.808 2.468 -0.121) 9.148 9.403 ( -3.851 -1.228 6.871) 7.972 9.528 ( 1.932 0.262 -3.013) 3.588 10.123 ( -4.337 -0.911 8.610) 9.684 10.365 ( 5.668 -0.499 -16.580) 17.529 10.567 ( -4.621 -0.464 -8.531) 9.713 10.591 ( 5.355 0.335 7.444) 9.176 10.909 ( -1.006 0.671 12.285) 12.345 11.076 ( 2.081 2.971 -10.895) 11.483 12.175 ( -6.965 -1.375 10.828) 12.948 12.373 ( 3.555 -2.025 -5.614) 6.946 13.333 ( -0.847 -0.295 1.011) 1.352 13.353 ( -0.104 -0.304 -1.086) 1.133 14.342 ( -1.564 0.599 2.180) 2.749 14.383 ( 0.374 0.085 -1.555) 1.601 14.531 ( -3.582 -0.047 1.077) 3.741 14.625 ( 4.201 0.109 -2.005) 4.656 20.906 ( -1.222 -0.057 5.204) 5.346 21.019 ( 1.972 -1.988 -7.989) 8.466 21.509 ( -7.963 3.698 14.391) 16.857 21.571 ( -0.199 0.079 0.302) 0.370 21.576 ( 0.305 0.434 0.629) 0.823 21.907 ( 11.656 3.420 -18.822) 22.401 23.298 ( -1.353 -2.198 6.551) 7.041 23.385 ( 1.360 -1.985 -4.357) 4.978 23.743 ( -1.366 -0.091 8.616) 8.724 23.825 ( -0.866 -0.881 -3.553) 3.762 24.048 ( 1.241 -1.219 4.923) 5.221 24.086 ( -2.518 -2.368 -7.917) 8.638 24.325 ( -2.137 1.095 0.806) 2.533 24.368 ( 1.456 -0.743 -0.461) 1.699 24.432 ( -1.962 0.776 -0.172) 2.117 24.453 ( 0.666 -1.336 0.821) 1.704 24.626 ( -11.700 1.652 3.656) 12.369 24.946 ( 15.937 3.279 -2.431) 16.452 ======================= Grid point 171 (86/93) ======================= q-point: (-0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -16.904 -8.874 4.382) 19.588 1.977 ( -20.618 -11.247 -11.069) 25.964 2.152 ( 7.855 1.093 -2.271) 8.249 2.288 ( -0.760 0.097 -5.015) 5.073 2.366 ( -1.839 4.790 5.275) 7.359 2.453 ( 0.217 -2.836 -2.088) 3.529 2.573 ( -3.299 4.169 2.045) 5.696 2.659 ( 3.831 0.281 5.083) 6.371 2.757 ( 10.314 0.577 3.551) 10.924 2.851 ( 5.184 4.049 5.725) 8.721 2.951 ( 3.639 0.751 -1.713) 4.092 3.051 ( 2.179 -1.176 2.090) 3.240 3.108 ( 0.705 0.958 -1.513) 1.925 3.173 ( 2.340 0.478 -0.615) 2.466 3.339 ( 3.567 1.420 -0.555) 3.879 3.443 ( -2.296 3.683 2.726) 5.125 3.497 ( 0.893 2.861 -4.236) 5.189 3.579 ( 5.652 -1.729 7.639) 9.659 3.737 ( -4.595 -3.160 -2.306) 6.035 3.982 ( 2.320 6.148 -5.886) 8.822 4.136 ( -3.928 3.533 -4.606) 7.009 4.268 ( -3.396 1.362 -6.060) 7.079 4.314 ( 1.989 -2.796 -4.329) 5.524 4.365 ( 0.105 0.872 1.855) 2.052 4.438 ( -4.140 0.521 2.503) 4.866 4.514 ( -0.165 0.038 -0.639) 0.662 4.596 ( 4.575 -1.328 3.983) 6.209 4.679 ( 2.521 3.804 -1.587) 4.832 4.812 ( -4.318 -0.552 3.061) 5.321 4.882 ( -1.449 -1.411 -3.601) 4.130 4.932 ( -2.991 1.014 7.362) 8.010 5.105 ( 5.882 -0.650 5.472) 8.059 5.114 ( -4.925 -2.731 -6.551) 8.639 5.150 ( 2.094 -2.700 0.328) 3.433 5.419 ( -0.441 2.620 3.351) 4.277 5.629 ( 3.390 0.670 -4.303) 5.519 5.694 ( -1.276 -1.747 -3.682) 4.270 5.797 ( 4.474 -3.005 6.039) 8.095 5.916 ( -4.545 -1.520 2.621) 5.463 6.046 ( 1.100 -0.720 -2.819) 3.111 7.019 ( 3.671 3.559 -0.492) 5.137 7.091 ( 7.230 2.986 -0.020) 7.823 7.579 ( -5.101 -1.352 0.753) 5.330 7.677 ( -0.700 -2.626 -1.259) 2.995 8.002 ( -5.408 0.494 2.919) 6.165 8.127 ( -2.399 -2.762 -2.097) 4.217 8.273 ( -2.638 1.529 -0.779) 3.147 8.345 ( 2.224 1.363 -0.562) 2.668 8.386 ( 3.377 -0.039 0.104) 3.379 8.477 ( 3.799 0.525 1.704) 4.197 8.493 ( -3.785 -1.353 -0.558) 4.059 8.629 ( -0.506 -2.596 3.185) 4.140 8.705 ( -0.162 -0.224 -0.039) 0.279 8.761 ( -0.681 -0.664 -1.762) 2.002 9.161 ( -3.560 1.128 -3.942) 5.430 9.401 ( 8.092 3.360 0.157) 8.763 9.428 ( -2.351 -1.539 5.147) 5.864 9.540 ( 2.863 -0.377 0.651) 2.961 10.128 ( -5.503 -1.288 8.986) 10.615 10.348 ( 1.471 -0.766 -17.361) 17.440 10.497 ( -2.004 -1.586 -12.721) 12.975 10.647 ( 3.703 4.417 12.219) 13.510 10.932 ( -0.089 1.097 -3.403) 3.576 11.022 ( 4.226 1.068 1.761) 4.702 12.178 ( -7.194 -1.859 11.265) 13.495 12.428 ( 3.348 -2.591 -5.255) 6.748 13.333 ( -1.072 -0.395 0.988) 1.511 13.352 ( -0.356 -0.386 -1.152) 1.266 14.322 ( -1.730 0.822 2.455) 3.114 14.363 ( -1.165 0.383 -4.095) 4.274 14.520 ( -2.339 -1.064 3.037) 3.978 14.646 ( 3.937 1.153 -2.736) 4.931 20.919 ( -1.538 -0.161 7.042) 7.209 21.044 ( 1.938 -1.822 -6.620) 7.134 21.383 ( -9.676 4.485 7.771) 13.196 21.569 ( 0.058 0.198 0.394) 0.445 21.576 ( 0.326 0.124 -0.077) 0.357 21.863 ( 10.389 4.774 -22.378) 25.129 23.334 ( -2.305 -1.430 0.968) 2.881 23.435 ( 2.000 -3.033 -0.101) 3.634 23.774 ( -0.255 0.651 12.988) 13.007 23.841 ( 1.659 -1.689 -1.596) 2.855 24.054 ( -3.187 -2.682 -4.771) 6.334 24.146 ( 0.827 -2.361 5.384) 5.937 24.289 ( -2.263 -0.061 0.750) 2.385 24.381 ( -2.706 2.137 1.307) 3.687 24.402 ( 1.351 -1.056 -0.454) 1.774 24.499 ( 0.802 -2.120 0.225) 2.277 24.523 ( -7.059 -0.609 2.977) 7.685 24.998 ( 14.241 6.921 -3.555) 16.228 ======================= Grid point 172 (87/93) ======================= q-point: (-0.12 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -10.717 -13.190 8.919) 19.193 1.964 ( -12.297 -9.450 -7.930) 17.418 2.146 ( 4.907 4.096 -4.663) 7.912 2.236 ( 0.015 5.653 -9.252) 10.842 2.324 ( 3.094 1.817 2.205) 4.212 2.436 ( -1.274 2.847 0.306) 3.134 2.518 ( -1.827 -2.630 1.143) 3.400 2.612 ( 5.072 9.006 6.499) 12.209 2.781 ( 2.973 5.053 7.127) 9.229 2.931 ( -1.970 -2.971 -3.829) 5.232 2.961 ( 3.903 -3.609 -1.974) 5.670 3.105 ( 7.315 0.299 4.015) 8.350 3.180 ( 2.585 -2.428 2.261) 4.206 3.242 ( 0.768 0.089 -2.001) 2.145 3.364 ( 3.277 -4.792 1.493) 5.994 3.379 ( -2.922 4.705 -2.230) 5.971 3.433 ( -1.329 -2.782 5.021) 5.892 3.687 ( 5.627 -0.709 2.937) 6.387 3.709 ( -6.274 -2.056 -6.854) 9.517 3.838 ( -2.146 6.141 -4.012) 7.643 3.964 ( -4.597 7.230 -1.099) 8.638 4.201 ( -1.933 2.198 -7.592) 8.137 4.263 ( 3.851 4.305 -7.342) 9.342 4.318 ( -3.462 6.688 -2.296) 7.873 4.441 ( -1.615 -4.271 -0.716) 4.622 4.578 ( -2.435 -4.154 2.167) 5.280 4.650 ( 4.922 -0.174 4.021) 6.358 4.685 ( 2.235 -0.221 4.084) 4.661 4.792 ( -2.038 -0.480 4.765) 5.204 4.900 ( -2.195 1.999 5.398) 6.160 4.937 ( 1.784 -4.876 -3.049) 6.021 5.081 ( -2.040 -0.971 -6.681) 7.053 5.130 ( 4.268 4.790 2.462) 6.871 5.227 ( 0.296 -1.707 4.382) 4.712 5.441 ( 2.421 -2.533 3.628) 5.044 5.638 ( 0.139 -0.159 -3.654) 3.660 5.695 ( 0.577 -2.164 -3.337) 4.019 5.842 ( -3.050 0.866 9.155) 9.688 5.948 ( -1.068 -1.699 0.438) 2.054 6.063 ( 1.611 -1.469 -3.579) 4.191 6.999 ( 1.760 1.646 -0.590) 2.481 7.113 ( 5.731 2.027 0.152) 6.081 7.527 ( -4.872 0.818 -1.515) 5.168 7.716 ( 0.530 -2.003 1.132) 2.361 7.957 ( -3.338 0.638 3.477) 4.862 8.128 ( -1.966 -1.000 -3.489) 4.128 8.193 ( -4.206 1.240 -2.321) 4.961 8.357 ( 4.258 3.569 -2.164) 5.962 8.398 ( 0.539 -0.702 4.582) 4.667 8.500 ( 1.098 -0.423 3.205) 3.414 8.520 ( 0.155 -2.663 -3.209) 4.172 8.686 ( 0.075 -1.302 -0.419) 1.370 8.701 ( 1.739 0.912 -0.598) 2.053 8.762 ( -1.695 -2.041 0.687) 2.740 9.118 ( -2.702 -1.149 -2.684) 3.978 9.415 ( -1.631 1.460 0.320) 2.212 9.418 ( 4.867 2.179 0.376) 5.346 9.627 ( 4.133 -3.241 6.025) 7.993 10.118 ( -6.707 -0.331 8.172) 10.577 10.289 ( -1.113 -0.314 -15.567) 15.610 10.481 ( 2.707 -0.930 -11.126) 11.488 10.626 ( 1.527 5.345 11.000) 12.325 10.864 ( -0.578 0.791 -10.757) 10.801 11.111 ( 5.064 -1.263 6.921) 8.668 12.179 ( -6.688 -1.370 10.444) 12.477 12.480 ( 2.812 -1.721 -4.503) 5.581 13.332 ( -0.881 -0.203 0.959) 1.318 13.350 ( -0.148 -0.279 -1.147) 1.190 14.300 ( -1.312 1.048 2.866) 3.322 14.330 ( -1.364 -0.311 -4.141) 4.371 14.532 ( -2.027 -1.494 1.714) 3.046 14.646 ( 3.751 2.009 -2.038) 4.718 20.933 ( -0.709 0.269 7.072) 7.112 21.068 ( 0.587 -1.318 -1.878) 2.368 21.258 ( -7.103 1.796 1.420) 7.463 21.568 ( 0.225 0.241 0.123) 0.352 21.577 ( 0.224 0.057 -0.106) 0.254 21.784 ( 8.147 5.324 -20.361) 22.568 23.314 ( -2.536 0.222 -1.465) 2.937 23.502 ( 0.885 -1.859 1.326) 2.449 23.815 ( 0.824 1.465 15.318) 15.410 23.904 ( 4.144 -2.700 0.227) 4.951 24.050 ( -3.150 -2.427 -4.889) 6.302 24.153 ( -2.610 0.929 -0.083) 2.772 24.285 ( -3.726 0.180 -2.565) 4.527 24.349 ( -0.649 -2.099 5.721) 6.128 24.436 ( 1.510 -1.313 -0.720) 2.126 24.495 ( -2.559 -0.952 2.812) 3.919 24.583 ( -0.730 -5.328 3.135) 6.225 24.965 ( 10.421 9.084 -4.850) 14.650 ======================= Grid point 178 (88/93) ======================= q-point: (-0.38 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -20.257 -0.000 2.346) 20.392 1.710 ( -28.492 -0.000 -14.856) 32.132 2.174 ( 12.157 0.000 -3.523) 12.657 2.304 ( -3.709 -0.000 -11.890) 12.455 2.361 ( -5.527 -0.000 -4.728) 7.273 2.490 ( -13.089 -0.000 11.608) 17.495 2.510 ( 7.829 0.000 5.999) 9.863 2.695 ( 9.099 0.000 5.543) 10.655 2.715 ( 2.606 0.000 4.038) 4.806 2.842 ( 15.276 0.000 12.069) 19.468 2.979 ( -1.314 -0.000 -4.684) 4.865 3.106 ( 4.218 0.000 1.914) 4.632 3.260 ( -2.275 -0.000 1.201) 2.573 3.288 ( 4.841 0.000 6.748) 8.305 3.401 ( 3.621 0.000 -2.510) 4.406 3.458 ( 9.890 0.000 -0.494) 9.903 3.571 ( -0.631 -0.000 -0.826) 1.040 3.601 ( -4.836 -0.000 6.110) 7.792 3.637 ( 1.069 0.000 -2.503) 2.722 4.114 ( 2.660 0.000 -9.193) 9.570 4.146 ( -2.179 -0.000 3.996) 4.552 4.147 ( 2.877 0.000 -3.837) 4.796 4.234 ( 3.204 0.000 -4.332) 5.388 4.411 ( -0.798 -0.000 -7.273) 7.317 4.505 ( -3.943 -0.000 0.568) 3.983 4.509 ( 2.539 0.000 -4.352) 5.039 4.613 ( -3.440 -0.000 3.254) 4.735 4.762 ( -5.508 -0.000 -3.809) 6.697 4.789 ( -1.528 -0.000 -1.214) 1.951 4.854 ( -3.054 -0.000 -0.309) 3.069 4.941 ( -4.330 -0.000 10.822) 11.657 5.016 ( 1.137 0.000 11.299) 11.356 5.080 ( -0.096 -0.000 -10.012) 10.013 5.150 ( 4.567 0.000 -0.403) 4.584 5.474 ( -1.174 -0.000 4.847) 4.987 5.630 ( 2.580 0.000 0.724) 2.680 5.658 ( 1.473 0.000 -3.100) 3.432 5.693 ( 5.011 0.000 3.362) 6.034 5.971 ( -2.778 -0.000 -5.180) 5.878 6.033 ( 1.429 0.000 -1.096) 1.801 7.120 ( 6.317 0.000 -1.384) 6.466 7.164 ( 8.335 0.000 1.202) 8.421 7.525 ( -4.593 -0.000 0.885) 4.678 7.605 ( -1.402 -0.000 -0.732) 1.582 8.012 ( -3.514 -0.000 1.359) 3.768 8.058 ( -2.338 -0.000 -2.098) 3.141 8.285 ( -3.020 -0.000 0.851) 3.138 8.290 ( 0.558 0.000 0.057) 0.561 8.428 ( 0.281 0.000 0.634) 0.693 8.493 ( 0.800 0.000 -0.580) 0.988 8.516 ( 0.343 0.000 4.040) 4.055 8.538 ( -5.618 -0.000 0.705) 5.662 8.714 ( 2.677 0.000 -1.925) 3.297 8.745 ( 0.079 0.000 0.753) 0.757 9.216 ( -3.691 -0.000 -4.493) 5.814 9.373 ( -4.376 -0.000 7.475) 8.662 9.488 ( 10.055 0.000 -0.265) 10.058 9.547 ( 2.876 0.000 -1.591) 3.287 10.101 ( -5.488 -0.000 9.588) 11.047 10.330 ( 2.180 0.000 -19.440) 19.562 10.449 ( -5.254 -0.000 -13.227) 14.232 10.724 ( 9.089 0.000 10.123) 13.605 10.947 ( -1.729 -0.000 12.474) 12.593 11.081 ( 2.284 0.000 -11.669) 11.890 12.136 ( -6.583 -0.000 11.476) 13.230 12.366 ( 2.631 0.000 -4.712) 5.397 13.323 ( -1.260 -0.000 0.940) 1.572 13.342 ( -0.510 -0.000 -1.114) 1.225 14.333 ( -2.344 -0.000 1.586) 2.830 14.376 ( -0.982 -0.000 -2.215) 2.423 14.497 ( -3.355 -0.000 1.580) 3.708 14.660 ( 4.080 0.000 -2.928) 5.022 20.921 ( 0.119 0.000 4.388) 4.389 20.992 ( 1.873 0.000 -5.715) 6.014 21.513 ( -8.280 -0.000 10.036) 13.011 21.570 ( -0.002 -0.000 -0.106) 0.106 21.587 ( -0.367 -0.000 1.319) 1.369 21.931 ( 6.393 0.000 -28.938) 29.636 23.291 ( -0.888 -0.000 5.727) 5.795 23.363 ( 1.647 0.000 -4.310) 4.614 23.790 ( 1.314 0.000 14.024) 14.085 23.803 ( 0.120 0.000 -1.250) 1.256 24.005 ( -2.291 -0.000 -6.721) 7.100 24.092 ( 2.530 0.000 9.568) 9.897 24.326 ( -1.875 -0.000 1.193) 2.222 24.358 ( 0.171 0.000 0.151) 0.228 24.436 ( -1.315 -0.000 0.911) 1.600 24.439 ( 0.080 0.000 1.561) 1.563 24.541 ( -9.653 -0.000 1.864) 9.832 25.136 ( 17.445 0.000 -3.195) 17.735 ======================= Grid point 179 (89/93) ======================= q-point: (-0.25 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -18.502 -5.634 8.190) 21.003 1.479 ( -26.225 -11.782 -10.601) 30.642 2.189 ( -4.533 -0.090 -14.449) 15.143 2.252 ( 3.857 0.223 -6.810) 7.830 2.341 ( 2.986 0.293 -3.513) 4.620 2.412 ( -13.937 -2.977 17.875) 22.861 2.629 ( 5.829 -1.088 4.790) 7.623 2.708 ( 4.253 2.883 3.729) 6.349 2.884 ( 6.007 -4.871 5.580) 9.536 2.954 ( 2.982 3.271 4.665) 6.430 3.002 ( 10.446 -0.369 0.085) 10.453 3.132 ( -0.460 1.771 -0.149) 1.836 3.166 ( 3.060 6.385 3.912) 8.089 3.270 ( 2.624 6.606 2.851) 7.659 3.435 ( 6.649 2.641 0.121) 7.155 3.511 ( -0.618 4.613 0.999) 4.760 3.568 ( 4.077 2.843 -6.151) 7.908 3.585 ( -2.154 -3.783 0.784) 4.423 3.691 ( 7.273 -1.575 5.114) 9.029 4.049 ( -5.714 -0.580 -5.443) 7.912 4.123 ( 3.602 7.131 -8.274) 11.501 4.187 ( -2.862 -2.881 -1.974) 4.515 4.247 ( 3.070 -3.684 -9.631) 10.759 4.385 ( -1.597 1.210 -0.287) 2.024 4.436 ( -5.919 1.101 -0.486) 6.040 4.499 ( -6.446 3.408 -4.095) 8.362 4.583 ( 4.828 -3.608 -4.044) 7.258 4.724 ( -3.805 -1.417 -0.520) 4.094 4.758 ( -1.926 -0.221 2.475) 3.144 4.853 ( -3.505 -3.275 -3.606) 6.001 4.930 ( -6.620 -2.459 12.565) 14.414 5.028 ( 0.545 1.435 -1.541) 2.175 5.100 ( 3.867 -0.718 5.572) 6.821 5.240 ( 10.935 0.689 2.742) 11.294 5.477 ( 1.210 2.120 4.085) 4.758 5.643 ( 1.049 0.835 -1.301) 1.868 5.675 ( 2.291 -0.383 -2.208) 3.205 5.798 ( 5.152 -3.911 3.093) 7.170 5.890 ( -3.929 2.399 -1.170) 4.750 6.039 ( 0.838 -0.009 -2.476) 2.614 7.145 ( 7.389 4.469 -1.883) 8.838 7.236 ( 9.335 2.769 1.176) 9.807 7.498 ( -5.029 -1.639 0.229) 5.294 7.606 ( -2.494 -2.649 -0.690) 3.703 7.969 ( -4.351 0.373 0.839) 4.446 8.041 ( -3.591 -2.221 -2.876) 5.109 8.253 ( -3.760 0.702 -2.225) 4.426 8.326 ( 0.523 -2.598 4.731) 5.423 8.413 ( -4.565 -0.670 1.257) 4.782 8.467 ( 0.626 0.010 0.440) 0.765 8.536 ( -1.976 -2.939 1.937) 4.036 8.558 ( 3.364 0.602 1.797) 3.861 8.724 ( 2.230 1.048 -0.841) 2.604 8.744 ( -1.032 0.040 -0.579) 1.184 9.137 ( -3.805 2.134 -4.911) 6.569 9.389 ( -3.419 -2.759 7.706) 8.870 9.540 ( 6.180 3.269 -0.083) 6.992 9.586 ( 6.981 0.607 -0.772) 7.050 10.086 ( -6.835 -0.670 10.445) 12.501 10.252 ( -3.030 -0.809 -20.080) 20.324 10.389 ( -0.890 -3.190 -14.262) 14.641 10.811 ( 5.956 3.179 7.162) 9.843 10.943 ( -1.124 3.311 -2.202) 4.133 11.085 ( 5.185 -0.767 2.616) 5.858 12.132 ( -5.532 -0.897 12.138) 13.369 12.392 ( 1.992 -2.354 -4.079) 5.113 13.316 ( -1.358 -0.403 0.910) 1.684 13.335 ( -0.634 -0.365 -1.141) 1.356 14.314 ( -2.473 -0.058 1.188) 2.744 14.340 ( -2.492 0.676 -3.144) 4.068 14.485 ( -2.783 -0.933 2.840) 4.084 14.679 ( 2.947 -0.058 -4.975) 5.783 20.938 ( 0.331 0.233 5.140) 5.156 21.008 ( 1.976 -1.633 -4.799) 5.440 21.398 ( -10.252 5.571 5.562) 12.926 21.571 ( 0.091 -0.058 -0.052) 0.120 21.584 ( 0.124 0.344 0.214) 0.424 21.857 ( 2.704 -1.343 -32.682) 32.821 23.305 ( -0.841 -0.307 1.675) 1.899 23.395 ( 1.723 -3.078 -1.457) 3.817 23.818 ( 1.046 -1.125 2.239) 2.716 23.863 ( 2.502 0.152 11.999) 12.258 23.975 ( -1.245 -1.138 -5.357) 5.616 24.156 ( -0.387 -0.358 9.031) 9.047 24.290 ( -1.785 1.699 1.778) 3.039 24.375 ( -1.273 -0.030 0.348) 1.320 24.437 ( -2.251 -2.308 3.882) 5.046 24.460 ( 1.468 0.745 6.417) 6.625 24.471 ( -1.579 0.506 1.154) 2.021 25.250 ( 16.557 5.268 -3.962) 17.821 ======================= Grid point 180 (90/93) ======================= q-point: (-0.12 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -11.648 -13.268 15.266) 23.340 1.493 ( -19.057 -18.969 -5.937) 27.536 2.113 ( -3.586 -2.070 -16.619) 17.127 2.216 ( -1.433 -2.045 -8.007) 8.387 2.354 ( 7.737 3.988 -2.750) 9.129 2.460 ( -8.316 -4.969 11.876) 15.326 2.597 ( 3.759 6.753 3.130) 8.339 2.814 ( 2.680 -4.393 8.259) 9.731 2.924 ( 5.266 8.055 3.638) 10.288 2.934 ( -1.884 4.287 -2.392) 5.259 2.992 ( 4.017 4.962 4.878) 8.034 3.166 ( 4.053 -2.277 3.339) 5.723 3.201 ( 3.754 0.439 4.920) 6.204 3.234 ( 4.173 -0.770 -2.899) 5.140 3.410 ( 2.306 5.100 -0.422) 5.613 3.423 ( -1.494 4.744 0.073) 4.975 3.492 ( 4.035 5.807 1.560) 7.241 3.612 ( -0.876 -2.082 -6.174) 6.575 3.800 ( 6.660 1.442 7.547) 10.168 3.917 ( -2.796 7.101 -5.545) 9.434 4.018 ( -3.011 5.866 -5.371) 8.504 4.099 ( -4.766 -0.786 -13.791) 14.613 4.284 ( -2.298 -3.104 -8.946) 9.745 4.363 ( -2.489 -0.230 -1.911) 3.147 4.379 ( 0.275 2.136 2.600) 3.376 4.450 ( -3.332 -5.942 0.393) 6.824 4.655 ( -2.447 -2.855 -0.232) 3.767 4.698 ( -2.095 1.599 0.386) 2.663 4.767 ( -2.533 -1.582 1.552) 3.366 4.856 ( -1.778 -3.995 -4.716) 6.431 4.988 ( -2.929 -3.475 3.680) 5.848 5.053 ( 11.588 5.341 9.786) 16.080 5.192 ( 0.341 -6.090 2.983) 6.790 5.313 ( 9.485 5.329 3.697) 11.491 5.458 ( 2.396 2.660 2.498) 4.365 5.623 ( -0.011 1.410 -2.432) 2.811 5.681 ( 2.197 -0.154 -3.486) 4.123 5.835 ( -4.615 -0.787 4.000) 6.158 5.918 ( 2.226 -2.297 3.107) 4.459 6.035 ( 0.215 -0.697 -3.587) 3.661 7.109 ( 5.713 6.164 -0.806) 8.443 7.257 ( 7.880 5.124 0.378) 9.407 7.470 ( -4.105 -0.690 -1.071) 4.298 7.640 ( -2.969 -4.513 -0.171) 5.405 7.939 ( -2.798 -0.749 1.547) 3.284 8.037 ( -3.995 -3.268 -2.859) 5.901 8.180 ( -3.143 1.459 -4.138) 5.397 8.403 ( -2.402 -4.546 3.027) 5.966 8.404 ( -0.707 -0.514 3.719) 3.820 8.467 ( 3.415 2.193 -0.607) 4.104 8.567 ( 2.579 2.111 0.589) 3.384 8.627 ( -2.005 -6.421 4.151) 7.904 8.710 ( -0.859 1.567 -3.027) 3.515 8.729 ( 0.701 -0.145 0.666) 0.978 9.057 ( -3.724 -0.198 -3.772) 5.304 9.423 ( -2.024 -0.115 4.357) 4.806 9.537 ( 4.652 3.202 1.363) 5.810 9.646 ( 5.960 -0.676 1.393) 6.158 10.057 ( -8.701 -0.807 6.759) 11.047 10.184 ( -2.075 -3.057 -14.825) 15.278 10.413 ( 1.714 -4.500 -13.102) 13.959 10.803 ( 3.170 7.091 11.048) 13.505 10.833 ( -0.974 2.241 -13.703) 13.919 11.181 ( 5.583 -0.063 6.189) 8.336 12.144 ( -4.331 -0.788 11.766) 12.562 12.445 ( 1.595 -2.922 -3.361) 4.730 13.317 ( -1.147 -0.668 0.897) 1.602 13.334 ( -0.442 -0.643 -1.127) 1.370 14.288 ( -2.527 -0.424 -3.384) 4.245 14.309 ( -1.558 0.114 2.606) 3.039 14.483 ( -3.662 -1.403 1.548) 4.216 14.688 ( 2.695 -0.052 -5.502) 6.127 20.964 ( 0.991 0.025 6.142) 6.221 21.035 ( 0.537 -1.480 -3.349) 3.701 21.226 ( -8.996 3.077 2.138) 9.745 21.573 ( 0.181 0.035 -0.077) 0.199 21.581 ( 0.137 0.186 -0.031) 0.234 21.783 ( 2.100 -1.068 -29.186) 29.281 23.298 ( -0.369 0.330 -0.836) 0.971 23.465 ( 0.338 -3.202 0.314) 3.235 23.881 ( 1.471 -3.332 2.360) 4.340 23.924 ( 2.563 0.763 10.277) 10.619 23.976 ( 0.492 -1.573 -3.723) 4.072 24.135 ( -5.060 1.289 1.287) 5.378 24.258 ( -1.652 0.872 -0.177) 1.876 24.363 ( -0.602 0.039 5.345) 5.379 24.429 ( -3.301 -1.046 0.971) 3.597 24.472 ( -1.273 -0.459 2.733) 3.050 24.558 ( 6.913 0.742 12.339) 14.163 25.244 ( 13.219 10.685 -5.119) 17.751 ======================= Grid point 187 (91/93) ======================= q-point: (-0.25 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -24.338 -0.000 0.791) 24.351 1.135 ( -16.367 -0.000 14.615) 21.943 2.114 ( -0.726 -0.000 -21.720) 21.732 2.142 ( -6.241 -0.000 -6.054) 8.695 2.268 ( -21.900 -0.000 23.962) 32.462 2.491 ( 14.408 0.000 -0.188) 14.409 2.692 ( 6.846 0.000 4.262) 8.065 2.769 ( -0.538 -0.000 0.850) 1.006 2.925 ( 5.021 0.000 5.843) 7.704 3.017 ( 6.086 0.000 3.137) 6.847 3.101 ( 3.339 0.000 5.094) 6.091 3.164 ( 4.011 0.000 0.364) 4.027 3.254 ( 0.962 0.000 -0.373) 1.032 3.354 ( -0.700 -0.000 -0.677) 0.974 3.486 ( -0.582 -0.000 -7.214) 7.237 3.554 ( 0.858 0.000 -3.580) 3.681 3.569 ( 10.652 0.000 2.636) 10.973 3.610 ( -0.927 -0.000 0.249) 0.960 3.796 ( 9.163 0.000 6.002) 10.953 3.967 ( -4.938 -0.000 -7.927) 9.339 4.105 ( -1.003 -0.000 0.047) 1.004 4.224 ( 4.635 0.000 -10.777) 11.731 4.260 ( -4.363 -0.000 -4.759) 6.456 4.313 ( -5.006 -0.000 -12.089) 13.084 4.337 ( 1.723 0.000 0.986) 1.985 4.481 ( -4.014 -0.000 -9.184) 10.023 4.619 ( -3.461 -0.000 -1.344) 3.713 4.637 ( 0.967 0.000 -0.424) 1.056 4.703 ( -5.958 -0.000 -3.862) 7.100 4.732 ( -4.026 -0.000 3.170) 5.124 4.855 ( -10.683 -0.000 12.359) 16.336 4.998 ( -2.069 -0.000 -1.559) 2.591 5.306 ( 14.576 0.000 14.424) 20.506 5.380 ( 14.935 0.000 3.325) 15.301 5.542 ( 4.043 0.000 6.343) 7.522 5.675 ( 0.158 0.000 2.361) 2.366 5.685 ( 4.258 0.000 -1.214) 4.428 5.836 ( 5.956 0.000 2.516) 6.466 5.863 ( -3.353 -0.000 -4.366) 5.505 6.041 ( 1.287 0.000 -2.581) 2.884 7.269 ( 9.137 0.000 -2.449) 9.460 7.351 ( 6.107 0.000 1.211) 6.226 7.444 ( -1.262 -0.000 0.244) 1.286 7.552 ( -2.733 -0.000 -0.605) 2.799 7.927 ( -3.963 -0.000 -2.537) 4.706 7.965 ( -4.997 -0.000 -3.877) 6.324 8.236 ( -2.208 -0.000 1.919) 2.925 8.327 ( 0.339 0.000 2.833) 2.853 8.350 ( -10.799 -0.000 3.499) 11.352 8.379 ( -5.566 -0.000 6.491) 8.550 8.511 ( -0.858 -0.000 -2.208) 2.369 8.640 ( 7.039 0.000 -0.928) 7.100 8.722 ( -2.690 -0.000 0.878) 2.829 8.769 ( 3.804 0.000 -1.600) 4.127 9.106 ( -3.308 -0.000 -5.234) 6.192 9.346 ( -4.816 -0.000 7.880) 9.235 9.610 ( 3.316 0.000 0.503) 3.354 9.686 ( 9.874 0.000 -2.446) 10.173 10.051 ( -7.355 -0.000 10.239) 12.607 10.082 ( -11.793 -0.000 -23.194) 26.020 10.298 ( 1.122 0.000 -12.782) 12.831 10.863 ( 2.516 0.000 -10.939) 11.225 11.025 ( 0.307 0.000 11.801) 11.805 11.141 ( 9.152 0.000 3.498) 9.798 12.139 ( -2.021 -0.000 13.449) 13.600 12.367 ( 0.852 0.000 -3.638) 3.736 13.303 ( -1.283 -0.000 0.889) 1.561 13.321 ( -0.585 -0.000 -1.099) 1.245 14.290 ( -3.026 -0.000 1.139) 3.233 14.303 ( -3.056 -0.000 -3.762) 4.847 14.462 ( -2.858 -0.000 2.899) 4.071 14.654 ( -1.803 -0.000 -8.615) 8.802 20.965 ( 0.999 0.000 3.148) 3.303 21.000 ( 2.387 0.000 -2.894) 3.752 21.389 ( -8.886 -0.000 4.118) 9.794 21.568 ( -0.322 -0.000 -2.009) 2.035 21.589 ( -0.046 -0.000 0.206) 0.211 21.650 ( -7.625 -0.000 -35.433) 36.244 23.316 ( -0.319 -0.000 3.911) 3.924 23.371 ( 2.091 0.000 -3.397) 3.989 23.821 ( -0.007 -0.000 2.695) 2.695 23.923 ( 2.485 0.000 5.454) 5.993 23.949 ( 1.126 0.000 -3.494) 3.670 24.157 ( -4.915 -0.000 4.380) 6.583 24.311 ( -1.016 -0.000 1.605) 1.899 24.360 ( -0.132 -0.000 0.077) 0.153 24.388 ( -3.881 -0.000 0.376) 3.899 24.408 ( -4.666 -0.000 0.982) 4.768 24.685 ( 18.733 0.000 27.013) 32.873 25.452 ( 16.565 0.000 -3.892) 17.016 ======================= Grid point 188 (92/93) ======================= q-point: (-0.12 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -13.918 -12.028 11.104) 21.487 1.153 ( -10.275 -9.046 22.931) 26.707 2.003 ( 0.157 0.160 -21.120) 21.121 2.112 ( -2.830 -1.586 -13.651) 14.031 2.222 ( -20.164 -11.093 28.825) 36.885 2.559 ( 11.727 6.814 -0.163) 13.563 2.725 ( 1.450 3.828 0.758) 4.163 2.826 ( 6.080 -2.786 3.493) 7.545 2.946 ( -1.274 1.019 -1.065) 1.948 3.068 ( 4.345 3.655 5.544) 7.935 3.127 ( -1.316 0.997 1.048) 1.956 3.190 ( 1.853 1.883 0.777) 2.753 3.255 ( 5.016 -0.414 0.444) 5.053 3.300 ( 1.828 4.671 0.123) 5.018 3.495 ( -0.864 3.507 -2.542) 4.417 3.497 ( -0.743 1.509 -1.282) 2.115 3.550 ( 3.724 0.707 -2.482) 4.531 3.664 ( 5.015 3.010 -2.305) 6.287 3.842 ( -2.432 0.499 -1.857) 3.100 3.907 ( -2.732 -2.896 -9.256) 10.076 4.073 ( 1.511 7.508 -3.325) 8.349 4.134 ( -2.952 3.151 -4.319) 6.107 4.177 ( -1.152 1.920 -4.882) 5.371 4.280 ( 1.772 -3.605 -4.038) 5.695 4.324 ( -3.942 -0.230 -9.463) 10.254 4.430 ( -1.244 0.103 3.029) 3.276 4.596 ( -0.071 -0.948 0.056) 0.952 4.644 ( -5.106 -2.710 0.807) 5.837 4.717 ( -3.628 -2.473 -3.432) 5.573 4.738 ( -2.297 -3.928 -1.849) 4.912 4.875 ( -5.120 -7.126 9.401) 12.860 5.038 ( -1.186 -6.955 1.547) 7.223 5.414 ( 15.869 9.922 15.013) 23.993 5.499 ( 9.454 1.746 -3.777) 10.329 5.632 ( 9.936 3.539 10.342) 14.771 5.674 ( 1.856 3.063 0.426) 3.607 5.711 ( 6.259 4.181 1.224) 7.626 5.782 ( -3.754 0.846 0.038) 3.848 5.922 ( 2.056 -1.811 1.874) 3.320 6.034 ( 1.683 1.814 -2.826) 3.757 7.276 ( 5.007 5.573 -1.154) 7.580 7.376 ( 2.265 0.509 -0.619) 2.403 7.466 ( 4.086 1.747 0.739) 4.504 7.545 ( -1.893 -1.619 -0.676) 2.581 7.879 ( -4.790 -1.064 -2.786) 5.643 7.935 ( -2.984 -3.634 -2.375) 5.268 8.134 ( -6.554 1.905 -4.797) 8.342 8.342 ( -3.029 -1.581 7.702) 8.426 8.390 ( -0.912 -2.396 5.325) 5.910 8.420 ( -5.791 -10.271 4.915) 12.774 8.496 ( -1.287 -0.803 -1.524) 2.150 8.662 ( 1.214 0.948 -3.035) 3.404 8.707 ( 1.444 1.546 0.465) 2.166 8.777 ( 3.428 1.971 -1.869) 4.374 9.021 ( -4.002 2.575 -3.922) 6.167 9.365 ( -5.494 -4.332 5.830) 9.107 9.607 ( 0.061 2.132 0.419) 2.174 9.738 ( 6.238 1.182 -5.027) 8.099 9.931 ( -9.259 -5.469 -15.069) 18.512 10.031 ( -6.885 -2.775 5.343) 9.146 10.303 ( 2.218 -2.900 -9.236) 9.932 10.810 ( 0.362 1.838 -14.902) 15.020 11.009 ( 2.987 6.893 10.964) 13.291 11.262 ( 6.819 -0.155 4.396) 8.115 12.174 ( 0.561 1.331 12.055) 12.141 12.391 ( 0.577 -2.986 -2.430) 3.892 13.299 ( -0.997 -0.456 0.885) 1.409 13.316 ( -0.332 -0.400 -1.008) 1.134 14.244 ( -3.184 0.289 -2.770) 4.230 14.288 ( -2.091 -1.444 1.218) 2.818 14.432 ( -4.767 0.112 1.260) 4.932 14.622 ( -3.332 -4.482 -9.496) 11.017 20.990 ( 0.855 -0.642 2.912) 3.102 21.019 ( 2.155 -0.186 -1.948) 2.911 21.204 ( -10.589 5.698 -1.823) 12.162 21.538 ( -5.610 -7.868 -21.668) 23.725 21.580 ( -0.307 -0.408 -1.554) 1.636 21.591 ( -0.928 -1.178 -3.315) 3.639 23.314 ( 0.859 1.011 1.052) 1.693 23.412 ( 0.611 -2.963 -0.738) 3.114 23.841 ( -0.513 -1.696 0.969) 2.019 23.966 ( 2.640 -0.666 1.132) 2.948 23.969 ( 2.703 -1.014 0.089) 2.889 24.102 ( -6.417 0.751 1.835) 6.716 24.272 ( -1.285 2.180 0.546) 2.589 24.356 ( -2.454 -0.452 1.065) 2.713 24.376 ( -1.829 -1.395 -0.054) 2.301 24.406 ( -2.958 -3.438 0.262) 4.543 24.926 ( 21.775 11.439 29.221) 38.196 25.526 ( 13.738 7.644 -4.184) 16.269 ======================= Grid point 196 (93/93) ======================= q-point: (-0.12 -0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 1.721 0.000 32.016) 32.062 1.079 ( -6.263 -0.000 28.607) 29.284 1.956 ( 4.025 0.000 -26.919) 27.219 1.973 ( -8.865 -0.000 3.457) 9.516 2.038 ( -16.591 -0.000 21.727) 27.337 2.763 ( 1.059 0.000 -0.260) 1.090 2.772 ( 12.488 0.000 0.052) 12.488 2.855 ( 5.903 0.000 2.752) 6.513 2.935 ( -2.924 -0.000 -0.337) 2.943 3.079 ( -5.388 -0.000 2.018) 5.754 3.181 ( 5.690 0.000 3.504) 6.683 3.199 ( -3.254 -0.000 -6.983) 7.704 3.287 ( 0.406 0.000 1.594) 1.645 3.356 ( 0.885 0.000 -1.120) 1.428 3.494 ( 2.841 0.000 1.258) 3.107 3.553 ( 1.562 0.000 -2.520) 2.965 3.562 ( -0.200 -0.000 -0.559) 0.594 3.614 ( -4.202 -0.000 -32.442) 32.713 3.815 ( -6.338 -0.000 1.299) 6.470 3.819 ( 0.052 0.000 -1.023) 1.024 4.054 ( -3.834 -0.000 -0.181) 3.838 4.126 ( -4.583 -0.000 -11.277) 12.172 4.229 ( 6.504 0.000 5.996) 8.846 4.261 ( 1.160 0.000 -5.825) 5.940 4.401 ( 3.659 0.000 -1.017) 3.797 4.405 ( 6.095 0.000 0.380) 6.107 4.545 ( -7.470 -0.000 0.483) 7.486 4.621 ( -1.775 -0.000 -4.945) 5.253 4.624 ( -1.772 -0.000 4.714) 5.036 4.659 ( -3.642 -0.000 -1.648) 3.998 4.779 ( -5.192 -0.000 12.701) 13.721 4.979 ( 1.177 0.000 -1.516) 1.919 5.563 ( 6.254 0.000 -4.012) 7.431 5.659 ( -2.187 -0.000 4.090) 4.638 5.709 ( 2.181 0.000 1.251) 2.515 5.725 ( 10.204 0.000 9.550) 13.976 5.761 ( -0.441 -0.000 3.673) 3.699 5.898 ( -1.385 -0.000 2.270) 2.659 6.123 ( 9.263 0.000 3.329) 9.843 6.137 ( 37.329 0.000 5.572) 37.743 7.329 ( -2.137 -0.000 0.359) 2.167 7.385 ( 2.620 0.000 -3.077) 4.041 7.538 ( 2.955 0.000 0.442) 2.988 7.570 ( 6.494 0.000 1.475) 6.659 7.820 ( -5.774 -0.000 -4.264) 7.178 7.821 ( -3.901 -0.000 -5.162) 6.470 8.117 ( -12.387 -0.000 0.884) 12.419 8.167 ( -6.566 -0.000 -1.618) 6.762 8.351 ( -1.666 -0.000 3.508) 3.883 8.356 ( -4.208 -0.000 10.021) 10.869 8.483 ( 0.442 0.000 -1.165) 1.246 8.606 ( -5.911 -0.000 -4.234) 7.271 8.779 ( 4.936 0.000 -1.170) 5.073 8.801 ( 0.021 0.000 -2.633) 2.633 9.027 ( -0.248 -0.000 -4.075) 4.083 9.194 ( -18.939 -0.000 -7.480) 20.363 9.517 ( -16.252 -0.000 0.288) 16.254 9.660 ( 1.784 0.000 -1.813) 2.543 9.890 ( 6.014 0.000 -0.850) 6.074 9.988 ( -3.977 -0.000 4.374) 5.912 10.293 ( 3.626 0.000 -2.672) 4.504 10.771 ( 0.193 0.000 -15.973) 15.975 11.143 ( 2.114 0.000 11.429) 11.623 11.343 ( 6.355 0.000 1.340) 6.495 12.274 ( 5.558 0.000 7.505) 9.339 12.353 ( 0.259 0.000 -1.986) 2.003 13.290 ( -0.616 -0.000 0.952) 1.134 13.308 ( 0.173 0.000 -0.769) 0.789 14.223 ( -1.912 -0.000 -3.384) 3.887 14.226 ( -4.205 -0.000 -0.604) 4.248 14.409 ( -3.840 -0.000 1.269) 4.045 14.432 ( -11.305 -0.000 -6.111) 12.851 20.992 ( 0.135 0.000 -0.033) 0.139 21.044 ( 3.190 0.000 -0.436) 3.220 21.148 ( -15.106 -0.000 -15.880) 21.917 21.251 ( -6.484 -0.000 0.967) 6.555 21.578 ( 0.221 0.000 -0.086) 0.237 21.587 ( -0.203 -0.000 0.060) 0.212 23.340 ( 0.132 0.000 2.736) 2.739 23.388 ( 1.549 0.000 -2.104) 2.612 23.829 ( 0.026 0.000 1.247) 1.247 23.978 ( 1.650 0.000 -3.006) 3.430 23.993 ( 3.012 0.000 1.033) 3.184 24.054 ( -5.394 -0.000 2.604) 5.989 24.300 ( -4.233 -0.000 0.209) 4.238 24.304 ( -0.484 -0.000 0.624) 0.789 24.340 ( -2.788 -0.000 -0.142) 2.792 24.355 ( -0.433 -0.000 -0.348) 0.555 25.431 ( 28.813 0.000 18.854) 34.433 25.714 ( 11.411 0.000 -2.472) 11.675 =================== 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 3/28800 10.0 949.982 1173.707 903.754 -0.000 -77.660 0.000 3/28800 20.0 175.262 186.549 239.630 0.000 5.589 0.000 3/28800 30.0 50.395 52.142 71.214 0.000 3.245 0.000 3/28800 40.0 23.262 23.767 33.368 0.000 1.814 0.000 3/28800 50.0 13.982 14.179 20.290 0.000 1.190 0.000 3/28800 60.0 9.739 9.827 14.244 0.000 0.867 0.000 3/28800 70.0 7.410 7.451 10.893 0.000 0.676 0.000 3/28800 80.0 5.967 5.985 8.805 0.000 0.551 0.000 3/28800 90.0 4.997 5.002 7.394 0.000 0.464 0.000 3/28800 100.0 4.302 4.300 6.383 0.000 0.400 0.000 3/28800 110.0 3.782 3.775 5.627 0.000 0.351 0.000 3/28800 120.0 3.379 3.368 5.041 0.000 0.313 0.000 3/28800 130.0 3.057 3.044 4.575 0.000 0.281 0.000 3/28800 140.0 2.794 2.779 4.195 0.000 0.256 0.000 3/28800 150.0 2.576 2.559 3.880 0.000 0.234 0.000 3/28800 160.0 2.391 2.373 3.614 0.000 0.215 0.000 3/28800 170.0 2.233 2.215 3.388 0.000 0.199 0.000 3/28800 180.0 2.097 2.077 3.193 0.000 0.186 0.000 3/28800 190.0 1.977 1.957 3.023 0.000 0.173 0.000 3/28800 200.0 1.872 1.851 2.873 0.000 0.163 0.000 3/28800 210.0 1.779 1.756 2.740 0.000 0.153 0.000 3/28800 220.0 1.695 1.672 2.621 0.000 0.144 0.000 3/28800 230.0 1.620 1.596 2.514 0.000 0.137 0.000 3/28800 240.0 1.552 1.528 2.417 0.000 0.130 0.000 3/28800 250.0 1.490 1.465 2.329 0.000 0.123 0.000 3/28800 260.0 1.433 1.408 2.249 0.000 0.118 0.000 3/28800 270.0 1.381 1.355 2.174 0.000 0.112 0.000 3/28800 280.0 1.333 1.307 2.106 0.000 0.107 0.000 3/28800 290.0 1.289 1.262 2.042 0.000 0.103 0.000 3/28800 300.0 1.248 1.221 1.983 0.000 0.099 0.000 3/28800 310.0 1.209 1.182 1.927 0.000 0.095 0.000 3/28800 320.0 1.173 1.146 1.875 0.000 0.092 0.000 3/28800 330.0 1.140 1.112 1.826 0.000 0.088 0.000 3/28800 340.0 1.108 1.080 1.780 0.000 0.085 0.000 3/28800 350.0 1.078 1.050 1.736 0.000 0.082 0.000 3/28800 360.0 1.050 1.022 1.695 0.000 0.080 0.000 3/28800 370.0 1.024 0.995 1.655 0.000 0.077 0.000 3/28800 380.0 0.998 0.970 1.618 0.000 0.075 0.000 3/28800 390.0 0.975 0.946 1.582 0.000 0.073 0.000 3/28800 400.0 0.952 0.923 1.548 0.000 0.071 0.000 3/28800 410.0 0.930 0.902 1.516 0.000 0.069 0.000 3/28800 420.0 0.910 0.881 1.485 0.000 0.067 0.000 3/28800 430.0 0.890 0.862 1.455 0.000 0.065 0.000 3/28800 440.0 0.871 0.843 1.427 0.000 0.063 0.000 3/28800 450.0 0.853 0.825 1.399 0.000 0.062 0.000 3/28800 460.0 0.836 0.808 1.373 0.000 0.060 0.000 3/28800 470.0 0.819 0.791 1.347 0.000 0.059 0.000 3/28800 480.0 0.803 0.776 1.323 0.000 0.057 0.000 3/28800 490.0 0.788 0.760 1.299 0.000 0.056 0.000 3/28800 500.0 0.773 0.746 1.277 0.000 0.055 0.000 3/28800 510.0 0.759 0.732 1.255 0.000 0.054 0.000 3/28800 520.0 0.745 0.718 1.233 0.000 0.052 0.000 3/28800 530.0 0.732 0.705 1.213 0.000 0.051 0.000 3/28800 540.0 0.719 0.693 1.193 0.000 0.050 0.000 3/28800 550.0 0.707 0.681 1.174 0.000 0.049 0.000 3/28800 560.0 0.695 0.669 1.155 0.000 0.048 0.000 3/28800 570.0 0.684 0.658 1.137 0.000 0.047 0.000 3/28800 580.0 0.673 0.647 1.120 0.000 0.047 0.000 3/28800 590.0 0.662 0.636 1.103 0.000 0.046 0.000 3/28800 600.0 0.652 0.626 1.086 0.000 0.045 0.000 3/28800 610.0 0.642 0.616 1.070 0.000 0.044 0.000 3/28800 620.0 0.632 0.607 1.055 0.000 0.043 0.000 3/28800 630.0 0.622 0.598 1.040 0.000 0.043 0.000 3/28800 640.0 0.613 0.589 1.025 0.000 0.042 0.000 3/28800 650.0 0.604 0.580 1.011 0.000 0.041 0.000 3/28800 660.0 0.596 0.571 0.997 0.000 0.040 0.000 3/28800 670.0 0.587 0.563 0.983 0.000 0.040 0.000 3/28800 680.0 0.579 0.555 0.970 0.000 0.039 0.000 3/28800 690.0 0.571 0.547 0.957 0.000 0.039 0.000 3/28800 700.0 0.563 0.540 0.945 0.000 0.038 0.000 3/28800 710.0 0.556 0.532 0.933 0.000 0.037 0.000 3/28800 720.0 0.548 0.525 0.921 0.000 0.037 0.000 3/28800 730.0 0.541 0.518 0.909 0.000 0.036 0.000 3/28800 740.0 0.534 0.512 0.898 0.000 0.036 0.000 3/28800 750.0 0.527 0.505 0.887 0.000 0.035 0.000 3/28800 760.0 0.521 0.499 0.876 0.000 0.035 0.000 3/28800 770.0 0.514 0.492 0.866 0.000 0.034 0.000 3/28800 780.0 0.508 0.486 0.855 0.000 0.034 0.000 3/28800 790.0 0.502 0.480 0.845 0.000 0.033 0.000 3/28800 800.0 0.496 0.474 0.836 0.000 0.033 0.000 3/28800 810.0 0.490 0.469 0.826 0.000 0.033 0.000 3/28800 820.0 0.484 0.463 0.817 0.000 0.032 0.000 3/28800 830.0 0.479 0.458 0.808 0.000 0.032 0.000 3/28800 840.0 0.473 0.452 0.799 0.000 0.031 0.000 3/28800 850.0 0.468 0.447 0.790 0.000 0.031 0.000 3/28800 860.0 0.463 0.442 0.781 0.000 0.031 0.000 3/28800 870.0 0.458 0.437 0.773 0.000 0.030 0.000 3/28800 880.0 0.453 0.432 0.765 0.000 0.030 0.000 3/28800 890.0 0.448 0.428 0.757 0.000 0.030 0.000 3/28800 900.0 0.443 0.423 0.749 0.000 0.029 0.000 3/28800 910.0 0.438 0.418 0.741 0.000 0.029 0.000 3/28800 920.0 0.434 0.414 0.733 0.000 0.029 0.000 3/28800 930.0 0.429 0.410 0.726 0.000 0.028 0.000 3/28800 940.0 0.425 0.405 0.719 0.000 0.028 0.000 3/28800 950.0 0.420 0.401 0.712 0.000 0.028 0.000 3/28800 960.0 0.416 0.397 0.705 0.000 0.027 0.000 3/28800 970.0 0.412 0.393 0.698 0.000 0.027 0.000 3/28800 980.0 0.408 0.389 0.691 0.000 0.027 0.000 3/28800 990.0 0.404 0.385 0.684 0.000 0.026 0.000 3/28800 1000.0 0.400 0.382 0.678 0.000 0.026 0.000 3/28800 Thermal conductivity related properties were written into "kappa-m885.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:27:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|