----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 02:48:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.505086540000054 0.000000000000000 0.000000000000000 b 0.000000000000000 6.593853720000000 0.000000000000000 c -3.885574418086927 0.000000000000000 9.817337654670593 Atomic positions (fractional): *1 O 0.22330497591120 0.99970651921279 0.83905780057203 15.999 *2 O 0.92077436965011 0.74145619335044 0.53314658414037 15.999 3 O 0.07922563034989 0.24145619335043 0.96685341585963 15.999 *4 O 0.30224902043095 0.96935262513071 0.13663485728289 15.999 5 O 0.69775097956905 0.46935262513071 0.36336514271711 15.999 6 O 0.69775097956905 0.03064737486929 0.86336514271711 15.999 7 O 0.30224902043095 0.53064737486929 0.63663485728289 15.999 *8 O 0.36315392074068 0.33595541448667 0.01988203326357 15.999 9 O 0.63684607925932 0.83595541448667 0.48011796673643 15.999 10 O 0.63684607925932 0.66404458551333 0.98011796673644 15.999 11 O 0.36315392074068 0.16404458551333 0.51988203326356 15.999 12 O 0.22330497591120 0.50029348078721 0.33905780057203 15.999 13 O 0.07922563034989 0.25854380664957 0.46685341585963 15.999 14 O 0.77669502408880 0.00029348078721 0.16094219942797 15.999 15 O 0.77669502408880 0.49970651921279 0.66094219942797 15.999 16 O 0.92077436965011 0.75854380664956 0.03314658414037 15.999 *17 K 0.57109317138672 0.80322633035739 0.20229878544924 39.098 18 K 0.57109317138672 0.69677366964261 0.70229878544924 39.098 *19 K 0.83745518460135 0.39466124450853 0.91484852073963 39.098 *20 K 0.05816663968247 0.09067883093130 0.19490680021245 39.098 21 K 0.94183336031753 0.59067883093130 0.30509319978755 39.098 22 K 0.94183336031753 0.90932116906870 0.80509319978755 39.098 23 K 0.05816663968247 0.40932116906870 0.69490680021245 39.098 *24 K 0.36683029458950 0.83178376642772 0.38869931528214 39.098 25 K 0.63316970541050 0.33178376642772 0.11130068471786 39.098 26 K 0.63316970541050 0.16821623357228 0.61130068471786 39.098 27 K 0.36683029458950 0.66821623357228 0.88869931528214 39.098 28 K 0.83745518460135 0.10533875549147 0.41484852073963 39.098 29 K 0.16254481539865 0.60533875549147 0.08515147926037 39.098 30 K 0.16254481539865 0.89466124450853 0.58515147926037 39.098 31 K 0.42890682861328 0.30322633035739 0.29770121455076 39.098 32 K 0.42890682861328 0.19677366964261 0.79770121455076 39.098 *33 Ge 0.24183555437725 0.36618613619980 0.49120464720736 72.640 34 Ge 0.75816444562275 0.63381386380020 0.50879535279264 72.640 35 Ge 0.24183555437725 0.13381386380020 0.99120464720736 72.640 36 Ge 0.75816444562275 0.86618613619980 0.00879535279264 72.640 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.505086540000054 0.000000000000000 0.000000000000000 b 0.000000000000000 6.593853720000000 0.000000000000000 c -3.885574418086927 0.000000000000000 9.817337654670593 Atomic positions (fractional): *1 O 0.22330497591120 0.99970651921279 0.83905780057203 15.999 > 1 *2 O 0.92077436965011 0.74145619335044 0.53314658414037 15.999 > 2 3 O 0.07922563034989 0.24145619335043 0.96685341585963 15.999 > 3 *4 O 0.30224902043095 0.96935262513071 0.13663485728289 15.999 > 4 5 O 0.69775097956905 0.46935262513071 0.36336514271711 15.999 > 5 6 O 0.69775097956905 0.03064737486929 0.86336514271711 15.999 > 6 7 O 0.30224902043095 0.53064737486929 0.63663485728289 15.999 > 7 *8 O 0.36315392074068 0.33595541448667 0.01988203326357 15.999 > 8 9 O 0.63684607925932 0.83595541448667 0.48011796673643 15.999 > 9 10 O 0.63684607925932 0.66404458551333 0.98011796673644 15.999 > 10 11 O 0.36315392074068 0.16404458551333 0.51988203326356 15.999 > 11 12 O 0.22330497591120 0.50029348078721 0.33905780057203 15.999 > 12 13 O 0.07922563034989 0.25854380664957 0.46685341585963 15.999 > 13 14 O 0.77669502408880 0.00029348078721 0.16094219942797 15.999 > 14 15 O 0.77669502408880 0.49970651921279 0.66094219942797 15.999 > 15 16 O 0.92077436965011 0.75854380664956 0.03314658414037 15.999 > 16 *17 K 0.57109317138672 0.80322633035739 0.20229878544924 39.098 > 17 18 K 0.57109317138672 0.69677366964261 0.70229878544924 39.098 > 18 *19 K 0.83745518460135 0.39466124450853 0.91484852073963 39.098 > 19 *20 K 0.05816663968247 0.09067883093130 0.19490680021245 39.098 > 20 21 K 0.94183336031753 0.59067883093130 0.30509319978755 39.098 > 21 22 K 0.94183336031753 0.90932116906870 0.80509319978755 39.098 > 22 23 K 0.05816663968247 0.40932116906870 0.69490680021245 39.098 > 23 *24 K 0.36683029458950 0.83178376642772 0.38869931528214 39.098 > 24 25 K 0.63316970541050 0.33178376642772 0.11130068471786 39.098 > 25 26 K 0.63316970541050 0.16821623357228 0.61130068471786 39.098 > 26 27 K 0.36683029458950 0.66821623357228 0.88869931528214 39.098 > 27 28 K 0.83745518460135 0.10533875549147 0.41484852073963 39.098 > 28 29 K 0.16254481539865 0.60533875549147 0.08515147926037 39.098 > 29 30 K 0.16254481539865 0.89466124450853 0.58515147926037 39.098 > 30 31 K 0.42890682861328 0.30322633035739 0.29770121455076 39.098 > 31 32 K 0.42890682861328 0.19677366964261 0.79770121455076 39.098 > 32 *33 Ge 0.24183555437725 0.36618613619980 0.49120464720736 72.640 > 33 34 Ge 0.75816444562275 0.63381386380020 0.50879535279264 72.640 > 34 35 Ge 0.24183555437725 0.13381386380020 0.99120464720736 72.640 > 35 36 Ge 0.75816444562275 0.86618613619980 0.00879535279264 72.640 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 21.010173080000108 0.000000000000000 0.000000000000000 b 0.000000000000000 13.187707440000001 0.000000000000000 c -3.885574418086927 0.000000000000000 9.817337654670593 Atomic positions (fractional): *1 O 0.11165248795560 0.49985325960640 0.83905780057203 15.999 > 1 2 O 0.61165248795560 0.49985325960640 0.83905780057203 15.999 > 1 3 O 0.11165248795560 0.99985325960640 0.83905780057203 15.999 > 1 4 O 0.61165248795560 0.99985325960640 0.83905780057203 15.999 > 1 *5 O 0.46038718482506 0.37072809667522 0.53314658414037 15.999 > 2 6 O 0.96038718482506 0.37072809667522 0.53314658414037 15.999 > 2 7 O 0.46038718482506 0.87072809667522 0.53314658414037 15.999 > 2 8 O 0.96038718482506 0.87072809667522 0.53314658414037 15.999 > 2 9 O 0.03961281517494 0.12072809667522 0.96685341585963 15.999 > 3 10 O 0.53961281517494 0.12072809667522 0.96685341585963 15.999 > 3 11 O 0.03961281517494 0.62072809667522 0.96685341585963 15.999 > 3 12 O 0.53961281517494 0.62072809667522 0.96685341585963 15.999 > 3 *13 O 0.15112451021548 0.48467631256535 0.13663485728289 15.999 > 4 14 O 0.65112451021548 0.48467631256535 0.13663485728289 15.999 > 4 15 O 0.15112451021548 0.98467631256536 0.13663485728289 15.999 > 4 16 O 0.65112451021548 0.98467631256536 0.13663485728289 15.999 > 4 17 O 0.34887548978452 0.23467631256536 0.36336514271711 15.999 > 5 18 O 0.84887548978452 0.23467631256536 0.36336514271711 15.999 > 5 19 O 0.34887548978452 0.73467631256536 0.36336514271711 15.999 > 5 20 O 0.84887548978452 0.73467631256536 0.36336514271711 15.999 > 5 21 O 0.34887548978452 0.01532368743464 0.86336514271711 15.999 > 6 22 O 0.84887548978452 0.01532368743464 0.86336514271711 15.999 > 6 23 O 0.34887548978452 0.51532368743464 0.86336514271711 15.999 > 6 24 O 0.84887548978452 0.51532368743464 0.86336514271711 15.999 > 6 25 O 0.15112451021548 0.26532368743465 0.63663485728289 15.999 > 7 26 O 0.65112451021548 0.26532368743465 0.63663485728289 15.999 > 7 27 O 0.15112451021548 0.76532368743464 0.63663485728289 15.999 > 7 28 O 0.65112451021548 0.76532368743464 0.63663485728289 15.999 > 7 *29 O 0.18157696037034 0.16797770724333 0.01988203326357 15.999 > 8 30 O 0.68157696037034 0.16797770724333 0.01988203326357 15.999 > 8 31 O 0.18157696037034 0.66797770724333 0.01988203326357 15.999 > 8 32 O 0.68157696037034 0.66797770724333 0.01988203326357 15.999 > 8 33 O 0.31842303962966 0.41797770724333 0.48011796673643 15.999 > 9 34 O 0.81842303962966 0.41797770724333 0.48011796673643 15.999 > 9 35 O 0.31842303962966 0.91797770724333 0.48011796673643 15.999 > 9 36 O 0.81842303962966 0.91797770724333 0.48011796673643 15.999 > 9 37 O 0.31842303962966 0.33202229275667 0.98011796673644 15.999 > 10 38 O 0.81842303962966 0.33202229275667 0.98011796673644 15.999 > 10 39 O 0.31842303962966 0.83202229275667 0.98011796673644 15.999 > 10 40 O 0.81842303962966 0.83202229275667 0.98011796673644 15.999 > 10 41 O 0.18157696037034 0.08202229275667 0.51988203326356 15.999 > 11 42 O 0.68157696037034 0.08202229275667 0.51988203326356 15.999 > 11 43 O 0.18157696037034 0.58202229275667 0.51988203326356 15.999 > 11 44 O 0.68157696037034 0.58202229275667 0.51988203326356 15.999 > 11 45 O 0.11165248795560 0.25014674039360 0.33905780057203 15.999 > 12 46 O 0.61165248795560 0.25014674039360 0.33905780057203 15.999 > 12 47 O 0.11165248795560 0.75014674039360 0.33905780057203 15.999 > 12 48 O 0.61165248795560 0.75014674039360 0.33905780057203 15.999 > 12 49 O 0.03961281517494 0.12927190332478 0.46685341585963 15.999 > 13 50 O 0.53961281517494 0.12927190332478 0.46685341585963 15.999 > 13 51 O 0.03961281517494 0.62927190332478 0.46685341585963 15.999 > 13 52 O 0.53961281517494 0.62927190332478 0.46685341585963 15.999 > 13 53 O 0.38834751204440 0.00014674039360 0.16094219942797 15.999 > 14 54 O 0.88834751204440 0.00014674039360 0.16094219942797 15.999 > 14 55 O 0.38834751204440 0.50014674039360 0.16094219942797 15.999 > 14 56 O 0.88834751204440 0.50014674039360 0.16094219942797 15.999 > 14 57 O 0.38834751204440 0.24985325960640 0.66094219942797 15.999 > 15 58 O 0.88834751204440 0.24985325960640 0.66094219942797 15.999 > 15 59 O 0.38834751204440 0.74985325960640 0.66094219942797 15.999 > 15 60 O 0.88834751204440 0.74985325960640 0.66094219942797 15.999 > 15 61 O 0.46038718482506 0.37927190332478 0.03314658414037 15.999 > 16 62 O 0.96038718482506 0.37927190332478 0.03314658414037 15.999 > 16 63 O 0.46038718482506 0.87927190332478 0.03314658414037 15.999 > 16 64 O 0.96038718482506 0.87927190332478 0.03314658414037 15.999 > 16 *65 K 0.28554658569336 0.40161316517870 0.20229878544924 39.098 > 17 66 K 0.78554658569336 0.40161316517870 0.20229878544924 39.098 > 17 67 K 0.28554658569336 0.90161316517870 0.20229878544924 39.098 > 17 68 K 0.78554658569336 0.90161316517870 0.20229878544924 39.098 > 17 69 K 0.28554658569336 0.34838683482130 0.70229878544924 39.098 > 18 70 K 0.78554658569336 0.34838683482130 0.70229878544924 39.098 > 18 71 K 0.28554658569336 0.84838683482130 0.70229878544924 39.098 > 18 72 K 0.78554658569336 0.84838683482130 0.70229878544924 39.098 > 18 *73 K 0.41872759230067 0.19733062225427 0.91484852073963 39.098 > 19 74 K 0.91872759230067 0.19733062225427 0.91484852073963 39.098 > 19 75 K 0.41872759230067 0.69733062225427 0.91484852073963 39.098 > 19 76 K 0.91872759230067 0.69733062225427 0.91484852073963 39.098 > 19 *77 K 0.02908331984124 0.04533941546565 0.19490680021245 39.098 > 20 78 K 0.52908331984124 0.04533941546565 0.19490680021245 39.098 > 20 79 K 0.02908331984124 0.54533941546565 0.19490680021245 39.098 > 20 80 K 0.52908331984124 0.54533941546565 0.19490680021245 39.098 > 20 81 K 0.47091668015876 0.29533941546565 0.30509319978755 39.098 > 21 82 K 0.97091668015876 0.29533941546565 0.30509319978755 39.098 > 21 83 K 0.47091668015876 0.79533941546565 0.30509319978755 39.098 > 21 84 K 0.97091668015876 0.79533941546565 0.30509319978755 39.098 > 21 85 K 0.47091668015876 0.45466058453435 0.80509319978755 39.098 > 22 86 K 0.97091668015876 0.45466058453435 0.80509319978755 39.098 > 22 87 K 0.47091668015876 0.95466058453435 0.80509319978755 39.098 > 22 88 K 0.97091668015876 0.95466058453435 0.80509319978755 39.098 > 22 89 K 0.02908331984124 0.20466058453435 0.69490680021245 39.098 > 23 90 K 0.52908331984124 0.20466058453435 0.69490680021245 39.098 > 23 91 K 0.02908331984124 0.70466058453435 0.69490680021245 39.098 > 23 92 K 0.52908331984124 0.70466058453435 0.69490680021245 39.098 > 23 *93 K 0.18341514729475 0.41589188321386 0.38869931528214 39.098 > 24 94 K 0.68341514729475 0.41589188321386 0.38869931528214 39.098 > 24 95 K 0.18341514729475 0.91589188321386 0.38869931528214 39.098 > 24 96 K 0.68341514729475 0.91589188321386 0.38869931528214 39.098 > 24 97 K 0.31658485270525 0.16589188321386 0.11130068471786 39.098 > 25 98 K 0.81658485270525 0.16589188321386 0.11130068471786 39.098 > 25 99 K 0.31658485270525 0.66589188321386 0.11130068471786 39.098 > 25 100 K 0.81658485270525 0.66589188321386 0.11130068471786 39.098 > 25 101 K 0.31658485270525 0.08410811678614 0.61130068471786 39.098 > 26 102 K 0.81658485270525 0.08410811678614 0.61130068471786 39.098 > 26 103 K 0.31658485270525 0.58410811678614 0.61130068471786 39.098 > 26 104 K 0.81658485270525 0.58410811678614 0.61130068471786 39.098 > 26 105 K 0.18341514729475 0.33410811678614 0.88869931528214 39.098 > 27 106 K 0.68341514729475 0.33410811678614 0.88869931528214 39.098 > 27 107 K 0.18341514729475 0.83410811678614 0.88869931528214 39.098 > 27 108 K 0.68341514729475 0.83410811678614 0.88869931528214 39.098 > 27 109 K 0.41872759230067 0.05266937774573 0.41484852073963 39.098 > 28 110 K 0.91872759230067 0.05266937774573 0.41484852073963 39.098 > 28 111 K 0.41872759230067 0.55266937774573 0.41484852073963 39.098 > 28 112 K 0.91872759230067 0.55266937774573 0.41484852073963 39.098 > 28 113 K 0.08127240769933 0.30266937774573 0.08515147926037 39.098 > 29 114 K 0.58127240769933 0.30266937774573 0.08515147926037 39.098 > 29 115 K 0.08127240769933 0.80266937774573 0.08515147926037 39.098 > 29 116 K 0.58127240769933 0.80266937774573 0.08515147926037 39.098 > 29 117 K 0.08127240769933 0.44733062225427 0.58515147926037 39.098 > 30 118 K 0.58127240769933 0.44733062225427 0.58515147926037 39.098 > 30 119 K 0.08127240769933 0.94733062225427 0.58515147926037 39.098 > 30 120 K 0.58127240769933 0.94733062225427 0.58515147926037 39.098 > 30 121 K 0.21445341430664 0.15161316517870 0.29770121455076 39.098 > 31 122 K 0.71445341430664 0.15161316517870 0.29770121455076 39.098 > 31 123 K 0.21445341430664 0.65161316517870 0.29770121455076 39.098 > 31 124 K 0.71445341430664 0.65161316517870 0.29770121455076 39.098 > 31 125 K 0.21445341430664 0.09838683482130 0.79770121455076 39.098 > 32 126 K 0.71445341430664 0.09838683482130 0.79770121455076 39.098 > 32 127 K 0.21445341430664 0.59838683482130 0.79770121455076 39.098 > 32 128 K 0.71445341430664 0.59838683482130 0.79770121455076 39.098 > 32 *129 Ge 0.12091777718862 0.18309306809990 0.49120464720736 72.640 > 33 130 Ge 0.62091777718862 0.18309306809990 0.49120464720736 72.640 > 33 131 Ge 0.12091777718862 0.68309306809990 0.49120464720736 72.640 > 33 132 Ge 0.62091777718862 0.68309306809990 0.49120464720736 72.640 > 33 133 Ge 0.37908222281138 0.31690693190010 0.50879535279264 72.640 > 34 134 Ge 0.87908222281138 0.31690693190010 0.50879535279264 72.640 > 34 135 Ge 0.37908222281138 0.81690693190010 0.50879535279264 72.640 > 34 136 Ge 0.87908222281138 0.81690693190010 0.50879535279264 72.640 > 34 137 Ge 0.12091777718862 0.06690693190010 0.99120464720736 72.640 > 35 138 Ge 0.62091777718862 0.06690693190010 0.99120464720736 72.640 > 35 139 Ge 0.12091777718862 0.56690693190010 0.99120464720736 72.640 > 35 140 Ge 0.62091777718862 0.56690693190010 0.99120464720736 72.640 > 35 141 Ge 0.37908222281138 0.43309306809990 0.00879535279264 72.640 > 36 142 Ge 0.87908222281138 0.43309306809990 0.00879535279264 72.640 > 36 143 Ge 0.37908222281138 0.93309306809990 0.00879535279264 72.640 > 36 144 Ge 0.87908222281138 0.93309306809990 0.00879535279264 72.640 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7398648 0.0000000 -0.0024571 0.0000000 2.7548902 0.0000000 -0.0024572 0.0000000 2.7773297 -------------------------- Born effective charges -------------------------- 1 O -1.5300601 0.1019100 0.2190025 0.1337997 -1.7032295 -0.4316073 0.2333020 -0.3809577 -2.1202586 2 O -2.2135715 -0.3227498 -0.1110135 -0.3426121 -1.6126431 -0.0313918 -0.1037041 -0.0305032 -1.4818351 3 O -2.2135715 0.3227498 -0.1110135 0.3426121 -1.6126431 0.0313918 -0.1037041 0.0305032 -1.4818351 4 O -1.4400273 0.0313465 -0.0421422 0.0251498 -1.8424237 0.4935320 -0.0396202 0.4468497 -2.1153490 5 O -1.4400273 -0.0313465 -0.0421422 -0.0251498 -1.8424237 -0.4935320 -0.0396202 -0.4468497 -2.1153490 6 O -1.4400273 0.0313465 -0.0421422 0.0251498 -1.8424237 0.4935320 -0.0396202 0.4468497 -2.1153490 7 O -1.4400273 -0.0313465 -0.0421422 -0.0251498 -1.8424237 -0.4935320 -0.0396202 -0.4468497 -2.1153490 8 O -1.9040577 -0.4777979 -0.0317033 -0.5068260 -1.9581524 -0.0792586 -0.0648516 -0.0948401 -1.5516582 9 O -1.9040577 0.4777979 -0.0317033 0.5068260 -1.9581524 0.0792586 -0.0648516 0.0948401 -1.5516582 10 O -1.9040577 -0.4777979 -0.0317033 -0.5068260 -1.9581524 -0.0792586 -0.0648516 -0.0948401 -1.5516582 11 O -1.9040577 0.4777979 -0.0317033 0.5068260 -1.9581524 0.0792586 -0.0648516 0.0948401 -1.5516582 12 O -1.5300601 -0.1019100 0.2190025 -0.1337997 -1.7032295 0.4316073 0.2333020 0.3809577 -2.1202586 13 O -2.2135715 -0.3227498 -0.1110135 -0.3426121 -1.6126431 -0.0313918 -0.1037041 -0.0305032 -1.4818351 14 O -1.5300601 0.1019100 0.2190025 0.1337997 -1.7032295 -0.4316073 0.2333020 -0.3809577 -2.1202586 15 O -1.5300601 -0.1019100 0.2190025 -0.1337997 -1.7032295 0.4316073 0.2333020 0.3809577 -2.1202586 16 O -2.2135715 0.3227498 -0.1110135 0.3426121 -1.6126431 0.0313918 -0.1037041 0.0305032 -1.4818351 17 K 1.1710600 -0.0227723 -0.0428398 -0.0343382 1.0091246 -0.0730457 -0.0420119 -0.0965702 1.2157906 18 K 1.1710600 0.0227723 -0.0428398 0.0343382 1.0091246 0.0730457 -0.0420119 0.0965702 1.2157906 19 K 1.0941100 -0.0889095 -0.0102973 -0.0665263 1.2851893 -0.0167643 0.0027730 -0.0289521 1.0645375 20 K 1.1871758 0.1349322 -0.0397078 0.1264758 1.0326546 0.1346109 -0.0277853 0.1522220 1.2088280 21 K 1.1871758 -0.1349322 -0.0397078 -0.1264758 1.0326546 -0.1346109 -0.0277853 -0.1522220 1.2088280 22 K 1.1871758 0.1349322 -0.0397078 0.1264758 1.0326546 0.1346109 -0.0277853 0.1522220 1.2088280 23 K 1.1871758 -0.1349322 -0.0397078 -0.1264758 1.0326546 -0.1346109 -0.0277853 -0.1522220 1.2088280 24 K 1.0850076 0.0539209 0.0234353 0.0534623 1.2182542 -0.0063738 0.0128764 -0.0310165 1.1065383 25 K 1.0850076 -0.0539209 0.0234353 -0.0534623 1.2182542 0.0063738 0.0128764 0.0310165 1.1065383 26 K 1.0850076 0.0539209 0.0234353 0.0534623 1.2182542 -0.0063738 0.0128764 -0.0310165 1.1065383 27 K 1.0850076 -0.0539209 0.0234353 -0.0534623 1.2182542 0.0063738 0.0128764 0.0310165 1.1065383 28 K 1.0941100 0.0889095 -0.0102973 0.0665263 1.2851893 0.0167643 0.0027730 0.0289521 1.0645375 29 K 1.0941100 -0.0889095 -0.0102973 -0.0665263 1.2851893 -0.0167643 0.0027730 -0.0289521 1.0645375 30 K 1.0941100 0.0889095 -0.0102973 0.0665263 1.2851893 0.0167643 0.0027730 0.0289521 1.0645375 31 K 1.1710600 0.0227723 -0.0428398 0.0343382 1.0091246 0.0730457 -0.0420119 0.0965702 1.2157906 32 K 1.1710600 -0.0227723 -0.0428398 -0.0343382 1.0091246 -0.0730457 -0.0420119 -0.0965702 1.2157906 33 Ge 2.5503631 -0.0146081 0.0352662 -0.0192686 2.5712261 -0.0113414 0.0290218 -0.0077850 2.6734064 34 Ge 2.5503631 -0.0146081 0.0352662 -0.0192686 2.5712261 -0.0113414 0.0290218 -0.0077850 2.6734064 35 Ge 2.5503631 0.0146081 0.0352662 0.0192686 2.5712261 0.0113414 0.0290218 0.0077850 2.6734064 36 Ge 2.5503631 0.0146081 0.0352662 0.0192686 2.5712261 0.0113414 0.0290218 0.0077850 2.6734064 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.987 Solver_block: 200 / 1120 - Time: 1.787 Solver_block: 300 / 1120 - Time: 1.782 Solver_block: 400 / 1120 - Time: 1.780 Solver_block: 500 / 1120 - Time: 1.782 Solver_block: 600 / 1120 - Time: 1.783 Solver_block: 700 / 1120 - Time: 1.784 Solver_block: 800 / 1120 - Time: 1.780 Solver_block: 900 / 1120 - Time: 1.780 Solver_block: 1000 / 1120 - Time: 1.787 Solver_block: 1100 / 1120 - Time: 1.795 Solver_block: 1120 / 1120 - Time: 0.530 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 20.859 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), 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 02:49:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:49:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.505086540000054 0.000000000000000 0.000000000000000 b 0.000000000000000 6.593853720000000 0.000000000000000 c -3.885574418086927 0.000000000000000 9.817337654670593 Atomic positions (fractional): 1 O 0.22330497591120 0.99970651921279 0.83905780057203 15.999 2 O 0.92077436965011 0.74145619335044 0.53314658414037 15.999 3 O 0.07922563034989 0.24145619335043 0.96685341585963 15.999 4 O 0.30224902043095 0.96935262513071 0.13663485728289 15.999 5 O 0.69775097956905 0.46935262513071 0.36336514271711 15.999 6 O 0.69775097956905 0.03064737486929 0.86336514271711 15.999 7 O 0.30224902043095 0.53064737486929 0.63663485728289 15.999 8 O 0.36315392074068 0.33595541448667 0.01988203326357 15.999 9 O 0.63684607925932 0.83595541448667 0.48011796673643 15.999 10 O 0.63684607925932 0.66404458551333 0.98011796673644 15.999 11 O 0.36315392074068 0.16404458551333 0.51988203326356 15.999 12 O 0.22330497591120 0.50029348078721 0.33905780057203 15.999 13 O 0.07922563034989 0.25854380664957 0.46685341585963 15.999 14 O 0.77669502408880 0.00029348078721 0.16094219942797 15.999 15 O 0.77669502408880 0.49970651921279 0.66094219942797 15.999 16 O 0.92077436965011 0.75854380664956 0.03314658414037 15.999 17 K 0.57109317138672 0.80322633035739 0.20229878544924 39.098 18 K 0.57109317138672 0.69677366964261 0.70229878544924 39.098 19 K 0.83745518460135 0.39466124450853 0.91484852073963 39.098 20 K 0.05816663968247 0.09067883093130 0.19490680021245 39.098 21 K 0.94183336031753 0.59067883093130 0.30509319978755 39.098 22 K 0.94183336031753 0.90932116906870 0.80509319978755 39.098 23 K 0.05816663968247 0.40932116906870 0.69490680021245 39.098 24 K 0.36683029458950 0.83178376642772 0.38869931528214 39.098 25 K 0.63316970541050 0.33178376642772 0.11130068471786 39.098 26 K 0.63316970541050 0.16821623357228 0.61130068471786 39.098 27 K 0.36683029458950 0.66821623357228 0.88869931528214 39.098 28 K 0.83745518460135 0.10533875549147 0.41484852073963 39.098 29 K 0.16254481539865 0.60533875549147 0.08515147926037 39.098 30 K 0.16254481539865 0.89466124450853 0.58515147926037 39.098 31 K 0.42890682861328 0.30322633035739 0.29770121455076 39.098 32 K 0.42890682861328 0.19677366964261 0.79770121455076 39.098 33 Ge 0.24183555437725 0.36618613619980 0.49120464720736 72.640 34 Ge 0.75816444562275 0.63381386380020 0.50879535279264 72.640 35 Ge 0.24183555437725 0.13381386380020 0.99120464720736 72.640 36 Ge 0.75816444562275 0.86618613619980 0.00879535279264 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 21.010173080000108 0.000000000000000 0.000000000000000 b 0.000000000000000 13.187707440000001 0.000000000000000 c -3.885574418086927 0.000000000000000 9.817337654670593 Atomic positions (fractional): 1 O 0.11165248795560 0.49985325960640 0.83905780057203 15.999 > 1 2 O 0.61165248795560 0.49985325960640 0.83905780057203 15.999 > 1 3 O 0.11165248795560 0.99985325960640 0.83905780057203 15.999 > 1 4 O 0.61165248795560 0.99985325960640 0.83905780057203 15.999 > 1 5 O 0.46038718482506 0.37072809667522 0.53314658414037 15.999 > 5 6 O 0.96038718482506 0.37072809667522 0.53314658414037 15.999 > 5 7 O 0.46038718482506 0.87072809667522 0.53314658414037 15.999 > 5 8 O 0.96038718482506 0.87072809667522 0.53314658414037 15.999 > 5 9 O 0.03961281517494 0.12072809667522 0.96685341585963 15.999 > 9 10 O 0.53961281517494 0.12072809667522 0.96685341585963 15.999 > 9 11 O 0.03961281517494 0.62072809667522 0.96685341585963 15.999 > 9 12 O 0.53961281517494 0.62072809667522 0.96685341585963 15.999 > 9 13 O 0.15112451021548 0.48467631256535 0.13663485728289 15.999 > 13 14 O 0.65112451021548 0.48467631256535 0.13663485728289 15.999 > 13 15 O 0.15112451021548 0.98467631256536 0.13663485728289 15.999 > 13 16 O 0.65112451021548 0.98467631256536 0.13663485728289 15.999 > 13 17 O 0.34887548978452 0.23467631256536 0.36336514271711 15.999 > 17 18 O 0.84887548978452 0.23467631256536 0.36336514271711 15.999 > 17 19 O 0.34887548978452 0.73467631256536 0.36336514271711 15.999 > 17 20 O 0.84887548978452 0.73467631256536 0.36336514271711 15.999 > 17 21 O 0.34887548978452 0.01532368743464 0.86336514271711 15.999 > 21 22 O 0.84887548978452 0.01532368743464 0.86336514271711 15.999 > 21 23 O 0.34887548978452 0.51532368743464 0.86336514271711 15.999 > 21 24 O 0.84887548978452 0.51532368743464 0.86336514271711 15.999 > 21 25 O 0.15112451021548 0.26532368743465 0.63663485728289 15.999 > 25 26 O 0.65112451021548 0.26532368743465 0.63663485728289 15.999 > 25 27 O 0.15112451021548 0.76532368743464 0.63663485728289 15.999 > 25 28 O 0.65112451021548 0.76532368743464 0.63663485728289 15.999 > 25 29 O 0.18157696037034 0.16797770724333 0.01988203326357 15.999 > 29 30 O 0.68157696037034 0.16797770724333 0.01988203326357 15.999 > 29 31 O 0.18157696037034 0.66797770724333 0.01988203326357 15.999 > 29 32 O 0.68157696037034 0.66797770724333 0.01988203326357 15.999 > 29 33 O 0.31842303962966 0.41797770724333 0.48011796673643 15.999 > 33 34 O 0.81842303962966 0.41797770724333 0.48011796673643 15.999 > 33 35 O 0.31842303962966 0.91797770724333 0.48011796673643 15.999 > 33 36 O 0.81842303962966 0.91797770724333 0.48011796673643 15.999 > 33 37 O 0.31842303962966 0.33202229275667 0.98011796673644 15.999 > 37 38 O 0.81842303962966 0.33202229275667 0.98011796673644 15.999 > 37 39 O 0.31842303962966 0.83202229275667 0.98011796673644 15.999 > 37 40 O 0.81842303962966 0.83202229275667 0.98011796673644 15.999 > 37 41 O 0.18157696037034 0.08202229275667 0.51988203326356 15.999 > 41 42 O 0.68157696037034 0.08202229275667 0.51988203326356 15.999 > 41 43 O 0.18157696037034 0.58202229275667 0.51988203326356 15.999 > 41 44 O 0.68157696037034 0.58202229275667 0.51988203326356 15.999 > 41 45 O 0.11165248795560 0.25014674039360 0.33905780057203 15.999 > 45 46 O 0.61165248795560 0.25014674039360 0.33905780057203 15.999 > 45 47 O 0.11165248795560 0.75014674039360 0.33905780057203 15.999 > 45 48 O 0.61165248795560 0.75014674039360 0.33905780057203 15.999 > 45 49 O 0.03961281517494 0.12927190332478 0.46685341585963 15.999 > 49 50 O 0.53961281517494 0.12927190332478 0.46685341585963 15.999 > 49 51 O 0.03961281517494 0.62927190332478 0.46685341585963 15.999 > 49 52 O 0.53961281517494 0.62927190332478 0.46685341585963 15.999 > 49 53 O 0.38834751204440 0.00014674039360 0.16094219942797 15.999 > 53 54 O 0.88834751204440 0.00014674039360 0.16094219942797 15.999 > 53 55 O 0.38834751204440 0.50014674039360 0.16094219942797 15.999 > 53 56 O 0.88834751204440 0.50014674039360 0.16094219942797 15.999 > 53 57 O 0.38834751204440 0.24985325960640 0.66094219942797 15.999 > 57 58 O 0.88834751204440 0.24985325960640 0.66094219942797 15.999 > 57 59 O 0.38834751204440 0.74985325960640 0.66094219942797 15.999 > 57 60 O 0.88834751204440 0.74985325960640 0.66094219942797 15.999 > 57 61 O 0.46038718482506 0.37927190332478 0.03314658414037 15.999 > 61 62 O 0.96038718482506 0.37927190332478 0.03314658414037 15.999 > 61 63 O 0.46038718482506 0.87927190332478 0.03314658414037 15.999 > 61 64 O 0.96038718482506 0.87927190332478 0.03314658414037 15.999 > 61 65 K 0.28554658569336 0.40161316517870 0.20229878544924 39.098 > 65 66 K 0.78554658569336 0.40161316517870 0.20229878544924 39.098 > 65 67 K 0.28554658569336 0.90161316517870 0.20229878544924 39.098 > 65 68 K 0.78554658569336 0.90161316517870 0.20229878544924 39.098 > 65 69 K 0.28554658569336 0.34838683482130 0.70229878544924 39.098 > 69 70 K 0.78554658569336 0.34838683482130 0.70229878544924 39.098 > 69 71 K 0.28554658569336 0.84838683482130 0.70229878544924 39.098 > 69 72 K 0.78554658569336 0.84838683482130 0.70229878544924 39.098 > 69 73 K 0.41872759230067 0.19733062225427 0.91484852073963 39.098 > 73 74 K 0.91872759230067 0.19733062225427 0.91484852073963 39.098 > 73 75 K 0.41872759230067 0.69733062225427 0.91484852073963 39.098 > 73 76 K 0.91872759230067 0.69733062225427 0.91484852073963 39.098 > 73 77 K 0.02908331984124 0.04533941546565 0.19490680021245 39.098 > 77 78 K 0.52908331984124 0.04533941546565 0.19490680021245 39.098 > 77 79 K 0.02908331984124 0.54533941546565 0.19490680021245 39.098 > 77 80 K 0.52908331984124 0.54533941546565 0.19490680021245 39.098 > 77 81 K 0.47091668015876 0.29533941546565 0.30509319978755 39.098 > 81 82 K 0.97091668015876 0.29533941546565 0.30509319978755 39.098 > 81 83 K 0.47091668015876 0.79533941546565 0.30509319978755 39.098 > 81 84 K 0.97091668015876 0.79533941546565 0.30509319978755 39.098 > 81 85 K 0.47091668015876 0.45466058453435 0.80509319978755 39.098 > 85 86 K 0.97091668015876 0.45466058453435 0.80509319978755 39.098 > 85 87 K 0.47091668015876 0.95466058453435 0.80509319978755 39.098 > 85 88 K 0.97091668015876 0.95466058453435 0.80509319978755 39.098 > 85 89 K 0.02908331984124 0.20466058453435 0.69490680021245 39.098 > 89 90 K 0.52908331984124 0.20466058453435 0.69490680021245 39.098 > 89 91 K 0.02908331984124 0.70466058453435 0.69490680021245 39.098 > 89 92 K 0.52908331984124 0.70466058453435 0.69490680021245 39.098 > 89 93 K 0.18341514729475 0.41589188321386 0.38869931528214 39.098 > 93 94 K 0.68341514729475 0.41589188321386 0.38869931528214 39.098 > 93 95 K 0.18341514729475 0.91589188321386 0.38869931528214 39.098 > 93 96 K 0.68341514729475 0.91589188321386 0.38869931528214 39.098 > 93 97 K 0.31658485270525 0.16589188321386 0.11130068471786 39.098 > 97 98 K 0.81658485270525 0.16589188321386 0.11130068471786 39.098 > 97 99 K 0.31658485270525 0.66589188321386 0.11130068471786 39.098 > 97 100 K 0.81658485270525 0.66589188321386 0.11130068471786 39.098 > 97 101 K 0.31658485270525 0.08410811678614 0.61130068471786 39.098 > 101 102 K 0.81658485270525 0.08410811678614 0.61130068471786 39.098 > 101 103 K 0.31658485270525 0.58410811678614 0.61130068471786 39.098 > 101 104 K 0.81658485270525 0.58410811678614 0.61130068471786 39.098 > 101 105 K 0.18341514729475 0.33410811678614 0.88869931528214 39.098 > 105 106 K 0.68341514729475 0.33410811678614 0.88869931528214 39.098 > 105 107 K 0.18341514729475 0.83410811678614 0.88869931528214 39.098 > 105 108 K 0.68341514729475 0.83410811678614 0.88869931528214 39.098 > 105 109 K 0.41872759230067 0.05266937774573 0.41484852073963 39.098 > 109 110 K 0.91872759230067 0.05266937774573 0.41484852073963 39.098 > 109 111 K 0.41872759230067 0.55266937774573 0.41484852073963 39.098 > 109 112 K 0.91872759230067 0.55266937774573 0.41484852073963 39.098 > 109 113 K 0.08127240769933 0.30266937774573 0.08515147926037 39.098 > 113 114 K 0.58127240769933 0.30266937774573 0.08515147926037 39.098 > 113 115 K 0.08127240769933 0.80266937774573 0.08515147926037 39.098 > 113 116 K 0.58127240769933 0.80266937774573 0.08515147926037 39.098 > 113 117 K 0.08127240769933 0.44733062225427 0.58515147926037 39.098 > 117 118 K 0.58127240769933 0.44733062225427 0.58515147926037 39.098 > 117 119 K 0.08127240769933 0.94733062225427 0.58515147926037 39.098 > 117 120 K 0.58127240769933 0.94733062225427 0.58515147926037 39.098 > 117 121 K 0.21445341430664 0.15161316517870 0.29770121455076 39.098 > 121 122 K 0.71445341430664 0.15161316517870 0.29770121455076 39.098 > 121 123 K 0.21445341430664 0.65161316517870 0.29770121455076 39.098 > 121 124 K 0.71445341430664 0.65161316517870 0.29770121455076 39.098 > 121 125 K 0.21445341430664 0.09838683482130 0.79770121455076 39.098 > 125 126 K 0.71445341430664 0.09838683482130 0.79770121455076 39.098 > 125 127 K 0.21445341430664 0.59838683482130 0.79770121455076 39.098 > 125 128 K 0.71445341430664 0.59838683482130 0.79770121455076 39.098 > 125 129 Ge 0.12091777718862 0.18309306809990 0.49120464720736 72.640 > 129 130 Ge 0.62091777718862 0.18309306809990 0.49120464720736 72.640 > 129 131 Ge 0.12091777718862 0.68309306809990 0.49120464720736 72.640 > 129 132 Ge 0.62091777718862 0.68309306809990 0.49120464720736 72.640 > 129 133 Ge 0.37908222281138 0.31690693190010 0.50879535279264 72.640 > 133 134 Ge 0.87908222281138 0.31690693190010 0.50879535279264 72.640 > 133 135 Ge 0.37908222281138 0.81690693190010 0.50879535279264 72.640 > 133 136 Ge 0.87908222281138 0.81690693190010 0.50879535279264 72.640 > 133 137 Ge 0.12091777718862 0.06690693190010 0.99120464720736 72.640 > 137 138 Ge 0.62091777718862 0.06690693190010 0.99120464720736 72.640 > 137 139 Ge 0.12091777718862 0.56690693190010 0.99120464720736 72.640 > 137 140 Ge 0.62091777718862 0.56690693190010 0.99120464720736 72.640 > 137 141 Ge 0.37908222281138 0.43309306809990 0.00879535279264 72.640 > 141 142 Ge 0.87908222281138 0.43309306809990 0.00879535279264 72.640 > 141 143 Ge 0.37908222281138 0.93309306809990 0.00879535279264 72.640 > 141 144 Ge 0.87908222281138 0.93309306809990 0.00879535279264 72.640 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7398648 0.0000000 -0.0024571 0.0000000 2.7548902 0.0000000 -0.0024572 0.0000000 2.7773297 -------------------------- Born effective charges -------------------------- 1 O -1.5300601 0.1019100 0.2190025 0.1337997 -1.7032295 -0.4316073 0.2333020 -0.3809577 -2.1202586 2 O -2.2135715 -0.3227498 -0.1110135 -0.3426121 -1.6126431 -0.0313918 -0.1037041 -0.0305032 -1.4818351 3 O -2.2135715 0.3227498 -0.1110135 0.3426121 -1.6126431 0.0313918 -0.1037041 0.0305032 -1.4818351 4 O -1.4400273 0.0313465 -0.0421422 0.0251498 -1.8424237 0.4935320 -0.0396202 0.4468497 -2.1153490 5 O -1.4400273 -0.0313465 -0.0421422 -0.0251498 -1.8424237 -0.4935320 -0.0396202 -0.4468497 -2.1153490 6 O -1.4400273 0.0313465 -0.0421422 0.0251498 -1.8424237 0.4935320 -0.0396202 0.4468497 -2.1153490 7 O -1.4400273 -0.0313465 -0.0421422 -0.0251498 -1.8424237 -0.4935320 -0.0396202 -0.4468497 -2.1153490 8 O -1.9040577 -0.4777979 -0.0317033 -0.5068260 -1.9581524 -0.0792586 -0.0648516 -0.0948401 -1.5516582 9 O -1.9040577 0.4777979 -0.0317033 0.5068260 -1.9581524 0.0792586 -0.0648516 0.0948401 -1.5516582 10 O -1.9040577 -0.4777979 -0.0317033 -0.5068260 -1.9581524 -0.0792586 -0.0648516 -0.0948401 -1.5516582 11 O -1.9040577 0.4777979 -0.0317033 0.5068260 -1.9581524 0.0792586 -0.0648516 0.0948401 -1.5516582 12 O -1.5300601 -0.1019100 0.2190025 -0.1337997 -1.7032295 0.4316073 0.2333020 0.3809577 -2.1202586 13 O -2.2135715 -0.3227498 -0.1110135 -0.3426121 -1.6126431 -0.0313918 -0.1037041 -0.0305032 -1.4818351 14 O -1.5300601 0.1019100 0.2190025 0.1337997 -1.7032295 -0.4316073 0.2333020 -0.3809577 -2.1202586 15 O -1.5300601 -0.1019100 0.2190025 -0.1337997 -1.7032295 0.4316073 0.2333020 0.3809577 -2.1202586 16 O -2.2135715 0.3227498 -0.1110135 0.3426121 -1.6126431 0.0313918 -0.1037041 0.0305032 -1.4818351 17 K 1.1710600 -0.0227723 -0.0428398 -0.0343382 1.0091246 -0.0730457 -0.0420119 -0.0965702 1.2157906 18 K 1.1710600 0.0227723 -0.0428398 0.0343382 1.0091246 0.0730457 -0.0420119 0.0965702 1.2157906 19 K 1.0941100 -0.0889095 -0.0102973 -0.0665263 1.2851893 -0.0167643 0.0027730 -0.0289521 1.0645375 20 K 1.1871758 0.1349322 -0.0397078 0.1264758 1.0326546 0.1346109 -0.0277853 0.1522220 1.2088280 21 K 1.1871758 -0.1349322 -0.0397078 -0.1264758 1.0326546 -0.1346109 -0.0277853 -0.1522220 1.2088280 22 K 1.1871758 0.1349322 -0.0397078 0.1264758 1.0326546 0.1346109 -0.0277853 0.1522220 1.2088280 23 K 1.1871758 -0.1349322 -0.0397078 -0.1264758 1.0326546 -0.1346109 -0.0277853 -0.1522220 1.2088280 24 K 1.0850076 0.0539209 0.0234353 0.0534623 1.2182542 -0.0063738 0.0128764 -0.0310165 1.1065383 25 K 1.0850076 -0.0539209 0.0234353 -0.0534623 1.2182542 0.0063738 0.0128764 0.0310165 1.1065383 26 K 1.0850076 0.0539209 0.0234353 0.0534623 1.2182542 -0.0063738 0.0128764 -0.0310165 1.1065383 27 K 1.0850076 -0.0539209 0.0234353 -0.0534623 1.2182542 0.0063738 0.0128764 0.0310165 1.1065383 28 K 1.0941100 0.0889095 -0.0102973 0.0665263 1.2851893 0.0167643 0.0027730 0.0289521 1.0645375 29 K 1.0941100 -0.0889095 -0.0102973 -0.0665263 1.2851893 -0.0167643 0.0027730 -0.0289521 1.0645375 30 K 1.0941100 0.0889095 -0.0102973 0.0665263 1.2851893 0.0167643 0.0027730 0.0289521 1.0645375 31 K 1.1710600 0.0227723 -0.0428398 0.0343382 1.0091246 0.0730457 -0.0420119 0.0965702 1.2157906 32 K 1.1710600 -0.0227723 -0.0428398 -0.0343382 1.0091246 -0.0730457 -0.0420119 -0.0965702 1.2157906 33 Ge 2.5503631 -0.0146081 0.0352662 -0.0192686 2.5712261 -0.0113414 0.0290218 -0.0077850 2.6734064 34 Ge 2.5503631 -0.0146081 0.0352662 -0.0192686 2.5712261 -0.0113414 0.0290218 -0.0077850 2.6734064 35 Ge 2.5503631 0.0146081 0.0352662 0.0192686 2.5712261 0.0113414 0.0290218 0.0077850 2.6734064 36 Ge 2.5503631 0.0146081 0.0352662 0.0192686 2.5712261 0.0113414 0.0290218 0.0077850 2.6734064 ---------------------------------------------------------------------------- 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] [-0.0037 0.0000 0.0093] [ 0.0037 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] [-0.0037 0.0000 0.0093] [ 0.0037 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 29, 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 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] [-0.0037 0.0000 0.0093] [ 0.0037 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 93, 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 129, 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] [-0.0037 0.0000 0.0093] [ 0.0037 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 02:50:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:51:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.505086540000054 0.000000000000000 0.000000000000000 b 0.000000000000000 6.593853720000000 0.000000000000000 c -3.885574418086927 0.000000000000000 9.817337654670593 Atomic positions (fractional): 1 O 0.22330497591120 0.99970651921279 0.83905780057203 15.999 2 O 0.92077436965011 0.74145619335044 0.53314658414037 15.999 3 O 0.07922563034989 0.24145619335043 0.96685341585963 15.999 4 O 0.30224902043095 0.96935262513071 0.13663485728289 15.999 5 O 0.69775097956905 0.46935262513071 0.36336514271711 15.999 6 O 0.69775097956905 0.03064737486929 0.86336514271711 15.999 7 O 0.30224902043095 0.53064737486929 0.63663485728289 15.999 8 O 0.36315392074068 0.33595541448667 0.01988203326357 15.999 9 O 0.63684607925932 0.83595541448667 0.48011796673643 15.999 10 O 0.63684607925932 0.66404458551333 0.98011796673644 15.999 11 O 0.36315392074068 0.16404458551333 0.51988203326356 15.999 12 O 0.22330497591120 0.50029348078721 0.33905780057203 15.999 13 O 0.07922563034989 0.25854380664957 0.46685341585963 15.999 14 O 0.77669502408880 0.00029348078721 0.16094219942797 15.999 15 O 0.77669502408880 0.49970651921279 0.66094219942797 15.999 16 O 0.92077436965011 0.75854380664956 0.03314658414037 15.999 17 K 0.57109317138672 0.80322633035739 0.20229878544924 39.098 18 K 0.57109317138672 0.69677366964261 0.70229878544924 39.098 19 K 0.83745518460135 0.39466124450853 0.91484852073963 39.098 20 K 0.05816663968247 0.09067883093130 0.19490680021245 39.098 21 K 0.94183336031753 0.59067883093130 0.30509319978755 39.098 22 K 0.94183336031753 0.90932116906870 0.80509319978755 39.098 23 K 0.05816663968247 0.40932116906870 0.69490680021245 39.098 24 K 0.36683029458950 0.83178376642772 0.38869931528214 39.098 25 K 0.63316970541050 0.33178376642772 0.11130068471786 39.098 26 K 0.63316970541050 0.16821623357228 0.61130068471786 39.098 27 K 0.36683029458950 0.66821623357228 0.88869931528214 39.098 28 K 0.83745518460135 0.10533875549147 0.41484852073963 39.098 29 K 0.16254481539865 0.60533875549147 0.08515147926037 39.098 30 K 0.16254481539865 0.89466124450853 0.58515147926037 39.098 31 K 0.42890682861328 0.30322633035739 0.29770121455076 39.098 32 K 0.42890682861328 0.19677366964261 0.79770121455076 39.098 33 Ge 0.24183555437725 0.36618613619980 0.49120464720736 72.640 34 Ge 0.75816444562275 0.63381386380020 0.50879535279264 72.640 35 Ge 0.24183555437725 0.13381386380020 0.99120464720736 72.640 36 Ge 0.75816444562275 0.86618613619980 0.00879535279264 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 21.010173080000108 0.000000000000000 0.000000000000000 b 0.000000000000000 13.187707440000001 0.000000000000000 c -3.885574418086927 0.000000000000000 9.817337654670593 Atomic positions (fractional): 1 O 0.11165248795560 0.49985325960640 0.83905780057203 15.999 > 1 2 O 0.61165248795560 0.49985325960640 0.83905780057203 15.999 > 1 3 O 0.11165248795560 0.99985325960640 0.83905780057203 15.999 > 1 4 O 0.61165248795560 0.99985325960640 0.83905780057203 15.999 > 1 5 O 0.46038718482506 0.37072809667522 0.53314658414037 15.999 > 5 6 O 0.96038718482506 0.37072809667522 0.53314658414037 15.999 > 5 7 O 0.46038718482506 0.87072809667522 0.53314658414037 15.999 > 5 8 O 0.96038718482506 0.87072809667522 0.53314658414037 15.999 > 5 9 O 0.03961281517494 0.12072809667522 0.96685341585963 15.999 > 9 10 O 0.53961281517494 0.12072809667522 0.96685341585963 15.999 > 9 11 O 0.03961281517494 0.62072809667522 0.96685341585963 15.999 > 9 12 O 0.53961281517494 0.62072809667522 0.96685341585963 15.999 > 9 13 O 0.15112451021548 0.48467631256535 0.13663485728289 15.999 > 13 14 O 0.65112451021548 0.48467631256535 0.13663485728289 15.999 > 13 15 O 0.15112451021548 0.98467631256536 0.13663485728289 15.999 > 13 16 O 0.65112451021548 0.98467631256536 0.13663485728289 15.999 > 13 17 O 0.34887548978452 0.23467631256536 0.36336514271711 15.999 > 17 18 O 0.84887548978452 0.23467631256536 0.36336514271711 15.999 > 17 19 O 0.34887548978452 0.73467631256536 0.36336514271711 15.999 > 17 20 O 0.84887548978452 0.73467631256536 0.36336514271711 15.999 > 17 21 O 0.34887548978452 0.01532368743464 0.86336514271711 15.999 > 21 22 O 0.84887548978452 0.01532368743464 0.86336514271711 15.999 > 21 23 O 0.34887548978452 0.51532368743464 0.86336514271711 15.999 > 21 24 O 0.84887548978452 0.51532368743464 0.86336514271711 15.999 > 21 25 O 0.15112451021548 0.26532368743465 0.63663485728289 15.999 > 25 26 O 0.65112451021548 0.26532368743465 0.63663485728289 15.999 > 25 27 O 0.15112451021548 0.76532368743464 0.63663485728289 15.999 > 25 28 O 0.65112451021548 0.76532368743464 0.63663485728289 15.999 > 25 29 O 0.18157696037034 0.16797770724333 0.01988203326357 15.999 > 29 30 O 0.68157696037034 0.16797770724333 0.01988203326357 15.999 > 29 31 O 0.18157696037034 0.66797770724333 0.01988203326357 15.999 > 29 32 O 0.68157696037034 0.66797770724333 0.01988203326357 15.999 > 29 33 O 0.31842303962966 0.41797770724333 0.48011796673643 15.999 > 33 34 O 0.81842303962966 0.41797770724333 0.48011796673643 15.999 > 33 35 O 0.31842303962966 0.91797770724333 0.48011796673643 15.999 > 33 36 O 0.81842303962966 0.91797770724333 0.48011796673643 15.999 > 33 37 O 0.31842303962966 0.33202229275667 0.98011796673644 15.999 > 37 38 O 0.81842303962966 0.33202229275667 0.98011796673644 15.999 > 37 39 O 0.31842303962966 0.83202229275667 0.98011796673644 15.999 > 37 40 O 0.81842303962966 0.83202229275667 0.98011796673644 15.999 > 37 41 O 0.18157696037034 0.08202229275667 0.51988203326356 15.999 > 41 42 O 0.68157696037034 0.08202229275667 0.51988203326356 15.999 > 41 43 O 0.18157696037034 0.58202229275667 0.51988203326356 15.999 > 41 44 O 0.68157696037034 0.58202229275667 0.51988203326356 15.999 > 41 45 O 0.11165248795560 0.25014674039360 0.33905780057203 15.999 > 45 46 O 0.61165248795560 0.25014674039360 0.33905780057203 15.999 > 45 47 O 0.11165248795560 0.75014674039360 0.33905780057203 15.999 > 45 48 O 0.61165248795560 0.75014674039360 0.33905780057203 15.999 > 45 49 O 0.03961281517494 0.12927190332478 0.46685341585963 15.999 > 49 50 O 0.53961281517494 0.12927190332478 0.46685341585963 15.999 > 49 51 O 0.03961281517494 0.62927190332478 0.46685341585963 15.999 > 49 52 O 0.53961281517494 0.62927190332478 0.46685341585963 15.999 > 49 53 O 0.38834751204440 0.00014674039360 0.16094219942797 15.999 > 53 54 O 0.88834751204440 0.00014674039360 0.16094219942797 15.999 > 53 55 O 0.38834751204440 0.50014674039360 0.16094219942797 15.999 > 53 56 O 0.88834751204440 0.50014674039360 0.16094219942797 15.999 > 53 57 O 0.38834751204440 0.24985325960640 0.66094219942797 15.999 > 57 58 O 0.88834751204440 0.24985325960640 0.66094219942797 15.999 > 57 59 O 0.38834751204440 0.74985325960640 0.66094219942797 15.999 > 57 60 O 0.88834751204440 0.74985325960640 0.66094219942797 15.999 > 57 61 O 0.46038718482506 0.37927190332478 0.03314658414037 15.999 > 61 62 O 0.96038718482506 0.37927190332478 0.03314658414037 15.999 > 61 63 O 0.46038718482506 0.87927190332478 0.03314658414037 15.999 > 61 64 O 0.96038718482506 0.87927190332478 0.03314658414037 15.999 > 61 65 K 0.28554658569336 0.40161316517870 0.20229878544924 39.098 > 65 66 K 0.78554658569336 0.40161316517870 0.20229878544924 39.098 > 65 67 K 0.28554658569336 0.90161316517870 0.20229878544924 39.098 > 65 68 K 0.78554658569336 0.90161316517870 0.20229878544924 39.098 > 65 69 K 0.28554658569336 0.34838683482130 0.70229878544924 39.098 > 69 70 K 0.78554658569336 0.34838683482130 0.70229878544924 39.098 > 69 71 K 0.28554658569336 0.84838683482130 0.70229878544924 39.098 > 69 72 K 0.78554658569336 0.84838683482130 0.70229878544924 39.098 > 69 73 K 0.41872759230067 0.19733062225427 0.91484852073963 39.098 > 73 74 K 0.91872759230067 0.19733062225427 0.91484852073963 39.098 > 73 75 K 0.41872759230067 0.69733062225427 0.91484852073963 39.098 > 73 76 K 0.91872759230067 0.69733062225427 0.91484852073963 39.098 > 73 77 K 0.02908331984124 0.04533941546565 0.19490680021245 39.098 > 77 78 K 0.52908331984124 0.04533941546565 0.19490680021245 39.098 > 77 79 K 0.02908331984124 0.54533941546565 0.19490680021245 39.098 > 77 80 K 0.52908331984124 0.54533941546565 0.19490680021245 39.098 > 77 81 K 0.47091668015876 0.29533941546565 0.30509319978755 39.098 > 81 82 K 0.97091668015876 0.29533941546565 0.30509319978755 39.098 > 81 83 K 0.47091668015876 0.79533941546565 0.30509319978755 39.098 > 81 84 K 0.97091668015876 0.79533941546565 0.30509319978755 39.098 > 81 85 K 0.47091668015876 0.45466058453435 0.80509319978755 39.098 > 85 86 K 0.97091668015876 0.45466058453435 0.80509319978755 39.098 > 85 87 K 0.47091668015876 0.95466058453435 0.80509319978755 39.098 > 85 88 K 0.97091668015876 0.95466058453435 0.80509319978755 39.098 > 85 89 K 0.02908331984124 0.20466058453435 0.69490680021245 39.098 > 89 90 K 0.52908331984124 0.20466058453435 0.69490680021245 39.098 > 89 91 K 0.02908331984124 0.70466058453435 0.69490680021245 39.098 > 89 92 K 0.52908331984124 0.70466058453435 0.69490680021245 39.098 > 89 93 K 0.18341514729475 0.41589188321386 0.38869931528214 39.098 > 93 94 K 0.68341514729475 0.41589188321386 0.38869931528214 39.098 > 93 95 K 0.18341514729475 0.91589188321386 0.38869931528214 39.098 > 93 96 K 0.68341514729475 0.91589188321386 0.38869931528214 39.098 > 93 97 K 0.31658485270525 0.16589188321386 0.11130068471786 39.098 > 97 98 K 0.81658485270525 0.16589188321386 0.11130068471786 39.098 > 97 99 K 0.31658485270525 0.66589188321386 0.11130068471786 39.098 > 97 100 K 0.81658485270525 0.66589188321386 0.11130068471786 39.098 > 97 101 K 0.31658485270525 0.08410811678614 0.61130068471786 39.098 > 101 102 K 0.81658485270525 0.08410811678614 0.61130068471786 39.098 > 101 103 K 0.31658485270525 0.58410811678614 0.61130068471786 39.098 > 101 104 K 0.81658485270525 0.58410811678614 0.61130068471786 39.098 > 101 105 K 0.18341514729475 0.33410811678614 0.88869931528214 39.098 > 105 106 K 0.68341514729475 0.33410811678614 0.88869931528214 39.098 > 105 107 K 0.18341514729475 0.83410811678614 0.88869931528214 39.098 > 105 108 K 0.68341514729475 0.83410811678614 0.88869931528214 39.098 > 105 109 K 0.41872759230067 0.05266937774573 0.41484852073963 39.098 > 109 110 K 0.91872759230067 0.05266937774573 0.41484852073963 39.098 > 109 111 K 0.41872759230067 0.55266937774573 0.41484852073963 39.098 > 109 112 K 0.91872759230067 0.55266937774573 0.41484852073963 39.098 > 109 113 K 0.08127240769933 0.30266937774573 0.08515147926037 39.098 > 113 114 K 0.58127240769933 0.30266937774573 0.08515147926037 39.098 > 113 115 K 0.08127240769933 0.80266937774573 0.08515147926037 39.098 > 113 116 K 0.58127240769933 0.80266937774573 0.08515147926037 39.098 > 113 117 K 0.08127240769933 0.44733062225427 0.58515147926037 39.098 > 117 118 K 0.58127240769933 0.44733062225427 0.58515147926037 39.098 > 117 119 K 0.08127240769933 0.94733062225427 0.58515147926037 39.098 > 117 120 K 0.58127240769933 0.94733062225427 0.58515147926037 39.098 > 117 121 K 0.21445341430664 0.15161316517870 0.29770121455076 39.098 > 121 122 K 0.71445341430664 0.15161316517870 0.29770121455076 39.098 > 121 123 K 0.21445341430664 0.65161316517870 0.29770121455076 39.098 > 121 124 K 0.71445341430664 0.65161316517870 0.29770121455076 39.098 > 121 125 K 0.21445341430664 0.09838683482130 0.79770121455076 39.098 > 125 126 K 0.71445341430664 0.09838683482130 0.79770121455076 39.098 > 125 127 K 0.21445341430664 0.59838683482130 0.79770121455076 39.098 > 125 128 K 0.71445341430664 0.59838683482130 0.79770121455076 39.098 > 125 129 Ge 0.12091777718862 0.18309306809990 0.49120464720736 72.640 > 129 130 Ge 0.62091777718862 0.18309306809990 0.49120464720736 72.640 > 129 131 Ge 0.12091777718862 0.68309306809990 0.49120464720736 72.640 > 129 132 Ge 0.62091777718862 0.68309306809990 0.49120464720736 72.640 > 129 133 Ge 0.37908222281138 0.31690693190010 0.50879535279264 72.640 > 133 134 Ge 0.87908222281138 0.31690693190010 0.50879535279264 72.640 > 133 135 Ge 0.37908222281138 0.81690693190010 0.50879535279264 72.640 > 133 136 Ge 0.87908222281138 0.81690693190010 0.50879535279264 72.640 > 133 137 Ge 0.12091777718862 0.06690693190010 0.99120464720736 72.640 > 137 138 Ge 0.62091777718862 0.06690693190010 0.99120464720736 72.640 > 137 139 Ge 0.12091777718862 0.56690693190010 0.99120464720736 72.640 > 137 140 Ge 0.62091777718862 0.56690693190010 0.99120464720736 72.640 > 137 141 Ge 0.37908222281138 0.43309306809990 0.00879535279264 72.640 > 141 142 Ge 0.87908222281138 0.43309306809990 0.00879535279264 72.640 > 141 143 Ge 0.37908222281138 0.93309306809990 0.00879535279264 72.640 > 141 144 Ge 0.87908222281138 0.93309306809990 0.00879535279264 72.640 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7398648 0.0000000 -0.0024571 0.0000000 2.7548902 0.0000000 -0.0024572 0.0000000 2.7773297 -------------------------- Born effective charges -------------------------- 1 O -1.5300601 0.1019100 0.2190025 0.1337997 -1.7032295 -0.4316073 0.2333020 -0.3809577 -2.1202586 2 O -2.2135715 -0.3227498 -0.1110135 -0.3426121 -1.6126431 -0.0313918 -0.1037041 -0.0305032 -1.4818351 3 O -2.2135715 0.3227498 -0.1110135 0.3426121 -1.6126431 0.0313918 -0.1037041 0.0305032 -1.4818351 4 O -1.4400273 0.0313465 -0.0421422 0.0251498 -1.8424237 0.4935320 -0.0396202 0.4468497 -2.1153490 5 O -1.4400273 -0.0313465 -0.0421422 -0.0251498 -1.8424237 -0.4935320 -0.0396202 -0.4468497 -2.1153490 6 O -1.4400273 0.0313465 -0.0421422 0.0251498 -1.8424237 0.4935320 -0.0396202 0.4468497 -2.1153490 7 O -1.4400273 -0.0313465 -0.0421422 -0.0251498 -1.8424237 -0.4935320 -0.0396202 -0.4468497 -2.1153490 8 O -1.9040577 -0.4777979 -0.0317033 -0.5068260 -1.9581524 -0.0792586 -0.0648516 -0.0948401 -1.5516582 9 O -1.9040577 0.4777979 -0.0317033 0.5068260 -1.9581524 0.0792586 -0.0648516 0.0948401 -1.5516582 10 O -1.9040577 -0.4777979 -0.0317033 -0.5068260 -1.9581524 -0.0792586 -0.0648516 -0.0948401 -1.5516582 11 O -1.9040577 0.4777979 -0.0317033 0.5068260 -1.9581524 0.0792586 -0.0648516 0.0948401 -1.5516582 12 O -1.5300601 -0.1019100 0.2190025 -0.1337997 -1.7032295 0.4316073 0.2333020 0.3809577 -2.1202586 13 O -2.2135715 -0.3227498 -0.1110135 -0.3426121 -1.6126431 -0.0313918 -0.1037041 -0.0305032 -1.4818351 14 O -1.5300601 0.1019100 0.2190025 0.1337997 -1.7032295 -0.4316073 0.2333020 -0.3809577 -2.1202586 15 O -1.5300601 -0.1019100 0.2190025 -0.1337997 -1.7032295 0.4316073 0.2333020 0.3809577 -2.1202586 16 O -2.2135715 0.3227498 -0.1110135 0.3426121 -1.6126431 0.0313918 -0.1037041 0.0305032 -1.4818351 17 K 1.1710600 -0.0227723 -0.0428398 -0.0343382 1.0091246 -0.0730457 -0.0420119 -0.0965702 1.2157906 18 K 1.1710600 0.0227723 -0.0428398 0.0343382 1.0091246 0.0730457 -0.0420119 0.0965702 1.2157906 19 K 1.0941100 -0.0889095 -0.0102973 -0.0665263 1.2851893 -0.0167643 0.0027730 -0.0289521 1.0645375 20 K 1.1871758 0.1349322 -0.0397078 0.1264758 1.0326546 0.1346109 -0.0277853 0.1522220 1.2088280 21 K 1.1871758 -0.1349322 -0.0397078 -0.1264758 1.0326546 -0.1346109 -0.0277853 -0.1522220 1.2088280 22 K 1.1871758 0.1349322 -0.0397078 0.1264758 1.0326546 0.1346109 -0.0277853 0.1522220 1.2088280 23 K 1.1871758 -0.1349322 -0.0397078 -0.1264758 1.0326546 -0.1346109 -0.0277853 -0.1522220 1.2088280 24 K 1.0850076 0.0539209 0.0234353 0.0534623 1.2182542 -0.0063738 0.0128764 -0.0310165 1.1065383 25 K 1.0850076 -0.0539209 0.0234353 -0.0534623 1.2182542 0.0063738 0.0128764 0.0310165 1.1065383 26 K 1.0850076 0.0539209 0.0234353 0.0534623 1.2182542 -0.0063738 0.0128764 -0.0310165 1.1065383 27 K 1.0850076 -0.0539209 0.0234353 -0.0534623 1.2182542 0.0063738 0.0128764 0.0310165 1.1065383 28 K 1.0941100 0.0889095 -0.0102973 0.0665263 1.2851893 0.0167643 0.0027730 0.0289521 1.0645375 29 K 1.0941100 -0.0889095 -0.0102973 -0.0665263 1.2851893 -0.0167643 0.0027730 -0.0289521 1.0645375 30 K 1.0941100 0.0889095 -0.0102973 0.0665263 1.2851893 0.0167643 0.0027730 0.0289521 1.0645375 31 K 1.1710600 0.0227723 -0.0428398 0.0343382 1.0091246 0.0730457 -0.0420119 0.0965702 1.2157906 32 K 1.1710600 -0.0227723 -0.0428398 -0.0343382 1.0091246 -0.0730457 -0.0420119 -0.0965702 1.2157906 33 Ge 2.5503631 -0.0146081 0.0352662 -0.0192686 2.5712261 -0.0113414 0.0290218 -0.0077850 2.6734064 34 Ge 2.5503631 -0.0146081 0.0352662 -0.0192686 2.5712261 -0.0113414 0.0290218 -0.0077850 2.6734064 35 Ge 2.5503631 0.0146081 0.0352662 0.0192686 2.5712261 0.0113414 0.0290218 0.0077850 2.6734064 36 Ge 2.5503631 0.0146081 0.0352662 0.0192686 2.5712261 0.0113414 0.0290218 0.0077850 2.6734064 ---------------------------------------------------------------------------- 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 ... [ 5 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: 0.47, Number of G-points: 295, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/65) ======================= 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.093 ( 0.000 0.000 0.000) 0.000 1.320 ( 0.000 0.000 0.000) 0.000 1.450 ( 0.000 0.000 0.000) 0.000 1.701 ( 0.000 0.000 0.000) 0.000 1.921 ( 0.000 0.000 0.000) 0.000 2.091 ( 0.000 0.000 0.000) 0.000 2.166 ( 0.000 0.000 0.000) 0.000 2.269 ( 0.000 0.000 0.000) 0.000 2.446 ( 0.000 0.000 0.000) 0.000 2.449 ( 0.000 0.000 0.000) 0.000 2.522 ( 0.000 0.000 0.000) 0.000 2.525 ( 0.000 0.000 0.000) 0.000 2.710 ( 0.000 0.000 0.000) 0.000 2.824 ( 0.000 0.000 0.000) 0.000 2.843 ( 0.000 0.000 0.000) 0.000 2.916 ( 0.000 0.000 0.000) 0.000 2.968 ( 0.000 0.000 0.000) 0.000 2.975 ( 0.000 0.000 0.000) 0.000 3.072 ( 0.000 0.000 0.000) 0.000 3.156 ( 0.000 0.000 0.000) 0.000 3.173 ( 0.000 0.000 0.000) 0.000 3.332 ( 0.000 0.000 0.000) 0.000 3.384 ( 0.000 0.000 0.000) 0.000 3.511 ( 0.000 0.000 0.000) 0.000 3.585 ( 0.000 0.000 0.000) 0.000 3.629 ( 0.000 0.000 0.000) 0.000 3.675 ( 0.000 0.000 0.000) 0.000 3.698 ( 0.000 0.000 0.000) 0.000 3.732 ( 0.000 0.000 0.000) 0.000 3.781 ( 0.000 0.000 0.000) 0.000 3.980 ( 0.000 0.000 0.000) 0.000 4.022 ( 0.000 0.000 0.000) 0.000 4.037 ( 0.000 0.000 0.000) 0.000 4.048 ( 0.000 0.000 0.000) 0.000 4.078 ( 0.000 0.000 0.000) 0.000 4.265 ( 0.000 0.000 0.000) 0.000 4.300 ( 0.000 0.000 0.000) 0.000 4.332 ( 0.000 0.000 0.000) 0.000 4.420 ( 0.000 0.000 0.000) 0.000 4.471 ( 0.000 0.000 0.000) 0.000 4.496 ( 0.000 0.000 0.000) 0.000 4.634 ( 0.000 0.000 0.000) 0.000 4.677 ( 0.000 0.000 0.000) 0.000 4.692 ( 0.000 0.000 0.000) 0.000 4.777 ( 0.000 0.000 0.000) 0.000 4.862 ( 0.000 0.000 0.000) 0.000 4.887 ( 0.000 0.000 0.000) 0.000 5.041 ( 0.000 0.000 0.000) 0.000 5.087 ( 0.000 0.000 0.000) 0.000 5.133 ( 0.000 0.000 0.000) 0.000 5.166 ( 0.000 0.000 0.000) 0.000 5.184 ( 0.000 0.000 0.000) 0.000 5.241 ( 0.000 0.000 0.000) 0.000 5.343 ( 0.000 0.000 0.000) 0.000 5.378 ( 0.000 0.000 0.000) 0.000 5.446 ( 0.000 0.000 0.000) 0.000 5.520 ( 0.000 0.000 0.000) 0.000 5.527 ( 0.000 0.000 0.000) 0.000 5.597 ( 0.000 0.000 0.000) 0.000 5.727 ( 0.000 0.000 0.000) 0.000 5.837 ( 0.000 0.000 0.000) 0.000 5.995 ( 0.000 0.000 0.000) 0.000 5.999 ( 0.000 0.000 0.000) 0.000 6.049 ( 0.000 0.000 0.000) 0.000 6.059 ( 0.000 0.000 0.000) 0.000 6.361 ( 0.000 0.000 0.000) 0.000 6.385 ( 0.000 0.000 0.000) 0.000 6.551 ( 0.000 0.000 0.000) 0.000 6.692 ( 0.000 0.000 0.000) 0.000 8.271 ( 0.000 0.000 0.000) 0.000 8.350 ( 0.000 0.000 0.000) 0.000 8.395 ( 0.000 0.000 0.000) 0.000 8.988 ( 0.000 0.000 0.000) 0.000 9.244 ( 0.000 0.000 0.000) 0.000 9.473 ( 0.000 0.000 0.000) 0.000 9.568 ( 0.000 0.000 0.000) 0.000 9.858 ( 0.000 0.000 0.000) 0.000 9.933 ( 0.000 0.000 0.000) 0.000 9.997 ( 0.000 0.000 0.000) 0.000 10.107 ( 0.000 0.000 0.000) 0.000 10.280 ( 0.000 0.000 0.000) 0.000 10.455 ( 0.000 0.000 0.000) 0.000 10.519 ( 0.000 0.000 0.000) 0.000 10.563 ( 0.000 0.000 0.000) 0.000 10.660 ( 0.000 0.000 0.000) 0.000 10.810 ( 0.000 0.000 0.000) 0.000 11.009 ( 0.000 0.000 0.000) 0.000 11.542 ( 0.000 0.000 0.000) 0.000 11.732 ( 0.000 0.000 0.000) 0.000 18.724 ( 0.000 0.000 0.000) 0.000 18.800 ( 0.000 0.000 0.000) 0.000 18.847 ( 0.000 0.000 0.000) 0.000 19.260 ( 0.000 0.000 0.000) 0.000 19.271 ( 0.000 0.000 0.000) 0.000 19.389 ( 0.000 0.000 0.000) 0.000 19.433 ( 0.000 0.000 0.000) 0.000 19.581 ( 0.000 0.000 0.000) 0.000 19.907 ( 0.000 0.000 0.000) 0.000 20.040 ( 0.000 0.000 0.000) 0.000 20.253 ( 0.000 0.000 0.000) 0.000 20.465 ( 0.000 0.000 0.000) 0.000 20.759 ( 0.000 0.000 0.000) 0.000 20.768 ( 0.000 0.000 0.000) 0.000 20.801 ( 0.000 0.000 0.000) 0.000 20.951 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/65) ======================= q-point: ( 0.20 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.341 ( 16.531 0.000 -1.657) 16.614 0.509 ( 21.892 0.000 11.179) 24.581 0.903 ( 39.041 0.000 15.385) 41.963 1.071 ( -0.270 0.000 -1.999) 2.018 1.451 ( 7.774 0.000 9.779) 12.492 1.538 ( 3.571 0.000 1.784) 3.992 1.712 ( 4.081 0.000 1.120) 4.232 1.974 ( 1.917 0.000 6.473) 6.751 2.069 ( -0.018 0.000 -4.252) 4.252 2.167 ( -5.112 0.000 -10.748) 11.902 2.250 ( 11.074 0.000 -9.659) 14.695 2.383 ( -8.765 0.000 8.520) 12.223 2.431 ( -6.840 0.000 15.801) 17.218 2.500 ( -1.776 0.000 -4.027) 4.401 2.559 ( -8.215 0.000 2.083) 8.475 2.623 ( 0.019 0.000 0.018) 0.027 2.789 ( 2.032 0.000 0.593) 2.117 2.811 ( -2.085 0.000 -3.645) 4.199 2.933 ( 4.745 0.000 3.166) 5.704 3.045 ( 4.613 0.000 -1.825) 4.961 3.076 ( 3.466 0.000 1.395) 3.736 3.147 ( 7.259 0.000 0.062) 7.260 3.157 ( -1.819 0.000 -4.514) 4.867 3.258 ( -6.458 0.000 -3.575) 7.382 3.268 ( 8.528 0.000 1.284) 8.624 3.406 ( 0.384 0.000 -6.418) 6.430 3.432 ( -7.167 0.000 1.362) 7.295 3.512 ( -9.284 0.000 3.920) 10.078 3.606 ( 0.462 0.000 -1.011) 1.111 3.668 ( -16.341 0.000 -2.584) 16.544 3.675 ( -7.078 0.000 0.648) 7.107 3.686 ( 1.633 0.000 -9.738) 9.874 3.734 ( 3.412 0.000 -0.536) 3.454 3.896 ( 0.077 0.000 10.005) 10.005 3.969 ( -1.945 0.000 -1.955) 2.758 4.081 ( 0.565 0.000 5.211) 5.242 4.091 ( 1.861 0.000 -0.569) 1.947 4.120 ( -4.312 0.000 -4.814) 6.463 4.218 ( 0.377 0.000 3.247) 3.269 4.276 ( -13.037 0.000 -1.101) 13.084 4.374 ( -0.911 0.000 0.196) 0.932 4.398 ( 6.028 0.000 -10.340) 11.969 4.465 ( 3.766 0.000 -4.017) 5.506 4.564 ( -4.036 0.000 -1.583) 4.335 4.577 ( 4.249 0.000 -6.811) 8.027 4.776 ( 2.820 0.000 1.673) 3.279 4.806 ( 1.587 0.000 0.464) 1.654 4.811 ( -1.899 0.000 -0.896) 2.099 4.834 ( 3.857 0.000 7.818) 8.718 5.000 ( -1.458 0.000 3.526) 3.815 5.017 ( -3.782 0.000 -3.495) 5.150 5.036 ( -0.824 0.000 0.413) 0.922 5.103 ( -2.988 0.000 2.376) 3.818 5.159 ( -1.924 0.000 6.022) 6.322 5.277 ( 0.831 0.000 4.239) 4.320 5.371 ( -0.165 0.000 -1.116) 1.129 5.433 ( 1.738 0.000 -7.096) 7.305 5.443 ( 3.275 0.000 5.065) 6.031 5.509 ( -0.230 0.000 0.893) 0.923 5.562 ( 3.869 0.000 1.353) 4.099 5.625 ( 11.747 0.000 2.724) 12.059 5.716 ( -1.390 0.000 -4.375) 4.591 5.817 ( -0.225 0.000 1.618) 1.633 5.998 ( 0.043 0.000 0.043) 0.061 5.999 ( 1.142 0.000 -1.390) 1.799 6.052 ( -0.598 0.000 0.712) 0.930 6.053 ( -0.440 0.000 0.968) 1.063 6.174 ( -4.194 0.000 5.224) 6.699 6.388 ( 2.455 0.000 -0.242) 2.467 6.539 ( -0.478 0.000 -7.523) 7.539 6.545 ( -0.459 0.000 -0.202) 0.501 6.696 ( 0.288 0.000 0.013) 0.288 8.253 ( -0.732 0.000 -1.501) 1.671 8.370 ( 0.778 0.000 1.747) 1.913 8.458 ( 5.095 0.000 3.487) 6.174 8.960 ( -2.125 0.000 -2.913) 3.606 9.258 ( 0.638 0.000 1.503) 1.633 9.503 ( 1.537 0.000 -4.115) 4.392 9.568 ( 0.591 0.000 -1.409) 1.528 9.882 ( -5.791 0.000 -3.046) 6.543 9.990 ( 8.568 0.000 -22.380) 23.964 9.994 ( -1.544 0.000 3.165) 3.522 10.069 ( -0.196 0.000 0.709) 0.736 10.261 ( -0.886 0.000 -2.550) 2.699 10.458 ( -0.382 0.000 1.658) 1.702 10.525 ( 0.538 0.000 -2.732) 2.784 10.593 ( 2.526 0.000 -0.138) 2.530 10.819 ( -2.119 0.000 4.098) 4.614 11.097 ( 7.752 0.000 2.770) 8.232 11.517 ( -3.630 0.000 4.377) 5.687 11.642 ( -4.798 0.000 16.022) 16.725 11.697 ( -3.294 0.000 -0.878) 3.409 18.725 ( -0.075 0.000 0.327) 0.336 18.805 ( 0.212 0.000 0.586) 0.623 18.876 ( 2.564 0.000 -6.642) 7.119 19.289 ( 0.853 0.000 3.416) 3.521 19.412 ( 2.983 0.000 0.250) 2.993 19.445 ( 1.045 0.000 0.287) 1.084 19.604 ( 2.735 0.000 -1.703) 3.222 19.658 ( -8.561 0.000 16.274) 18.389 19.966 ( -6.661 0.000 -1.210) 6.770 20.262 ( 0.284 0.000 1.226) 1.259 20.479 ( 1.345 0.000 -0.456) 1.420 20.537 ( 5.128 0.000 -11.564) 12.650 20.770 ( 0.982 0.000 0.466) 1.087 20.802 ( 0.034 0.000 0.032) 0.046 20.936 ( -1.194 0.000 -1.094) 1.619 21.154 ( -1.100 0.000 1.264) 1.676 ======================= Grid point 2 (3/65) ======================= q-point: ( 0.40 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 6.758 0.000 -0.667) 6.791 0.981 ( 17.958 0.000 9.487) 20.310 1.063 ( 0.020 0.000 -0.176) 0.177 1.420 ( -8.393 0.000 -6.934) 10.887 1.605 ( 13.958 0.000 10.482) 17.456 1.682 ( 6.641 0.000 7.650) 10.130 1.943 ( 13.175 0.000 2.237) 13.363 2.001 ( -2.535 0.000 -0.338) 2.557 2.054 ( 2.757 0.000 -4.787) 5.524 2.145 ( 11.985 0.000 1.949) 12.142 2.268 ( -6.404 0.000 -5.189) 8.242 2.308 ( -3.930 0.000 9.629) 10.400 2.402 ( -3.441 0.000 -8.785) 9.435 2.428 ( 1.117 0.000 6.188) 6.288 2.475 ( -1.032 0.000 -2.039) 2.285 2.561 ( -3.526 0.000 4.309) 5.568 2.837 ( 2.259 0.000 -0.512) 2.316 2.850 ( -13.483 0.000 -7.555) 15.455 2.893 ( -3.606 0.000 2.151) 4.199 2.996 ( -4.997 0.000 -6.156) 7.929 3.086 ( 7.486 0.000 0.416) 7.497 3.106 ( -5.536 0.000 -1.413) 5.714 3.149 ( 2.694 0.000 -1.589) 3.128 3.271 ( -0.012 0.000 0.884) 0.884 3.339 ( 1.656 0.000 0.998) 1.933 3.347 ( -4.939 0.000 6.733) 8.351 3.399 ( 2.239 0.000 -2.492) 3.349 3.475 ( 2.677 0.000 -3.064) 4.069 3.485 ( 4.011 0.000 4.178) 5.792 3.541 ( -6.222 0.000 4.172) 7.492 3.619 ( 0.548 0.000 -9.471) 9.487 3.641 ( -0.131 0.000 -0.454) 0.472 3.777 ( 2.133 0.000 0.743) 2.259 3.923 ( -1.638 0.000 -4.094) 4.409 3.961 ( -4.112 0.000 -1.543) 4.392 3.980 ( -12.607 0.000 0.187) 12.608 4.052 ( 2.095 0.000 15.340) 15.482 4.106 ( 0.045 0.000 -1.825) 1.825 4.142 ( 1.276 0.000 1.020) 1.633 4.233 ( 1.290 0.000 -8.536) 8.633 4.300 ( -3.089 0.000 -0.332) 3.107 4.329 ( -2.896 0.000 -3.732) 4.724 4.474 ( -1.783 0.000 -2.552) 3.113 4.577 ( 6.040 0.000 -3.548) 7.005 4.710 ( 6.289 0.000 -0.136) 6.290 4.779 ( -0.851 0.000 1.650) 1.856 4.814 ( -1.864 0.000 1.025) 2.128 4.855 ( 2.764 0.000 1.721) 3.256 4.943 ( -0.814 0.000 -1.329) 1.558 4.951 ( 2.396 0.000 2.552) 3.501 4.966 ( -2.018 0.000 -1.665) 2.616 5.019 ( -1.004 0.000 0.444) 1.098 5.127 ( 4.691 0.000 5.058) 6.898 5.180 ( -0.439 0.000 3.450) 3.477 5.298 ( 0.002 0.000 0.657) 0.657 5.303 ( -6.503 0.000 -1.959) 6.791 5.414 ( 0.133 0.000 -1.978) 1.983 5.504 ( 1.140 0.000 0.525) 1.255 5.505 ( -0.247 0.000 0.032) 0.249 5.531 ( -4.155 0.000 -2.288) 4.743 5.750 ( 5.602 0.000 -1.288) 5.748 5.840 ( -0.474 0.000 2.695) 2.736 5.893 ( 10.912 0.000 5.110) 12.049 6.001 ( 0.137 0.000 0.256) 0.290 6.008 ( 0.206 0.000 0.091) 0.225 6.029 ( -1.128 0.000 -0.507) 1.237 6.058 ( -0.816 0.000 0.143) 0.828 6.102 ( -4.415 0.000 -2.123) 4.899 6.428 ( 1.340 0.000 -0.119) 1.345 6.471 ( -1.726 0.000 -2.160) 2.765 6.536 ( -0.251 0.000 -0.057) 0.258 6.700 ( 0.099 0.000 0.014) 0.100 8.234 ( -0.250 0.000 -0.670) 0.715 8.392 ( 0.311 0.000 0.807) 0.865 8.625 ( 7.437 0.000 6.085) 9.609 8.852 ( -5.441 0.000 -5.800) 7.953 9.280 ( 0.377 0.000 1.069) 1.134 9.501 ( 0.521 0.000 -1.527) 1.614 9.568 ( 0.570 0.000 -1.558) 1.659 9.743 ( -4.232 0.000 -1.387) 4.453 9.986 ( 4.003 0.000 -10.422) 11.164 9.988 ( -2.564 0.000 5.831) 6.370 10.119 ( 2.077 0.000 3.625) 4.178 10.211 ( -1.549 0.000 -3.654) 3.968 10.464 ( -0.317 0.000 1.383) 1.419 10.514 ( 0.353 0.000 -1.910) 1.942 10.639 ( 2.254 0.000 -0.931) 2.439 10.791 ( -2.506 0.000 2.241) 3.362 11.278 ( 6.550 0.000 2.924) 7.173 11.488 ( -1.507 0.000 1.622) 2.214 11.607 ( -4.112 0.000 -1.421) 4.351 11.665 ( -0.646 0.000 3.271) 3.334 18.726 ( -0.046 0.000 0.206) 0.211 18.813 ( 0.124 0.000 0.351) 0.373 18.874 ( 0.642 0.000 -1.725) 1.841 19.313 ( -0.158 0.000 1.432) 1.441 19.470 ( 1.043 0.000 0.145) 1.053 19.522 ( 5.617 0.000 4.316) 7.084 19.616 ( -3.004 0.000 3.404) 4.540 19.633 ( 1.898 0.000 -4.965) 5.316 19.809 ( -7.258 0.000 -0.303) 7.265 20.275 ( 0.150 0.000 0.695) 0.711 20.498 ( 0.706 0.000 -0.233) 0.743 20.547 ( 1.489 0.000 -2.846) 3.212 20.800 ( 1.341 0.000 0.717) 1.520 20.803 ( 0.028 0.000 0.021) 0.035 20.897 ( -1.490 0.000 -1.157) 1.887 21.143 ( -0.474 0.000 0.218) 0.522 ======================= Grid point 5 (4/65) ======================= q-point: ( 0.00 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.341 ( 0.000 19.000 0.000) 19.000 0.420 ( 0.000 22.503 0.000) 22.503 0.893 ( 0.000 44.019 0.000) 44.019 1.402 ( 0.000 27.070 0.000) 27.070 1.407 ( 0.000 2.329 0.000) 2.329 1.567 ( 0.000 11.037 0.000) 11.037 1.854 ( 0.000 14.456 0.000) 14.456 1.964 ( 0.000 2.349 0.000) 2.349 2.141 ( 0.000 3.221 0.000) 3.221 2.142 ( 0.000 -2.025 0.000) 2.025 2.247 ( 0.000 -2.071 0.000) 2.071 2.371 ( 0.000 0.201 0.000) 0.201 2.518 ( 0.000 0.361 0.000) 0.361 2.520 ( 0.000 3.114 0.000) 3.114 2.557 ( 0.000 1.731 0.000) 1.731 2.747 ( 0.000 -0.416 0.000) 0.416 2.828 ( 0.000 -2.292 0.000) 2.292 2.852 ( 0.000 -4.795 0.000) 4.795 2.924 ( 0.000 6.211 0.000) 6.211 2.996 ( 0.000 1.491 0.000) 1.491 3.056 ( 0.000 1.591 0.000) 1.591 3.139 ( 0.000 -1.672 0.000) 1.672 3.168 ( 0.000 0.341 0.000) 0.341 3.215 ( 0.000 2.364 0.000) 2.364 3.253 ( 0.000 -5.617 0.000) 5.617 3.364 ( 0.000 -2.410 0.000) 2.410 3.491 ( 0.000 -1.708 0.000) 1.708 3.577 ( 0.000 -0.673 0.000) 0.673 3.612 ( 0.000 -6.674 0.000) 6.674 3.694 ( 0.000 2.712 0.000) 2.712 3.731 ( 0.000 2.020 0.000) 2.020 3.736 ( 0.000 -2.035 0.000) 2.035 3.815 ( 0.000 -4.944 0.000) 4.944 3.948 ( 0.000 -1.655 0.000) 1.655 4.033 ( 0.000 -1.183 0.000) 1.183 4.048 ( 0.000 -1.883 0.000) 1.883 4.105 ( 0.000 -2.325 0.000) 2.325 4.106 ( 0.000 7.231 0.000) 7.231 4.207 ( 0.000 -4.394 0.000) 4.394 4.239 ( 0.000 -3.913 0.000) 3.913 4.388 ( 0.000 -3.235 0.000) 3.235 4.420 ( 0.000 2.205 0.000) 2.205 4.506 ( 0.000 0.770 0.000) 0.770 4.530 ( 0.000 2.894 0.000) 2.894 4.611 ( 0.000 -4.259 0.000) 4.259 4.662 ( 0.000 -5.749 0.000) 5.749 4.667 ( 0.000 0.773 0.000) 0.773 4.847 ( 0.000 4.296 0.000) 4.296 4.898 ( 0.000 -2.183 0.000) 2.183 4.950 ( 0.000 5.008 0.000) 5.008 4.987 ( 0.000 -2.310 0.000) 2.310 5.085 ( 0.000 -7.035 0.000) 7.035 5.086 ( 0.000 -0.772 0.000) 0.772 5.142 ( 0.000 -0.981 0.000) 0.981 5.199 ( 0.000 1.776 0.000) 1.776 5.206 ( 0.000 -4.078 0.000) 4.078 5.340 ( 0.000 -2.378 0.000) 2.378 5.347 ( 0.000 -2.518 0.000) 2.518 5.377 ( 0.000 -6.992 0.000) 6.992 5.435 ( 0.000 -1.962 0.000) 1.962 5.511 ( 0.000 0.455 0.000) 0.455 5.637 ( 0.000 2.616 0.000) 2.616 5.807 ( 0.000 -2.866 0.000) 2.866 5.931 ( 0.000 -3.942 0.000) 3.942 5.988 ( 0.000 0.099 0.000) 0.099 5.993 ( 0.000 0.837 0.000) 0.837 6.098 ( 0.000 5.961 0.000) 5.961 6.176 ( 0.000 4.041 0.000) 4.041 6.359 ( 0.000 -0.865 0.000) 0.865 6.642 ( 0.000 6.702 0.000) 6.702 6.698 ( 0.000 0.335 0.000) 0.335 6.922 ( 0.000 -9.933 0.000) 9.933 8.275 ( 0.000 0.378 0.000) 0.378 8.348 ( 0.000 -0.179 0.000) 0.179 8.400 ( 0.000 0.383 0.000) 0.383 8.907 ( 0.000 -8.196 0.000) 8.196 9.257 ( 0.000 1.021 0.000) 1.021 9.391 ( 0.000 -6.938 0.000) 6.938 9.494 ( 0.000 -6.896 0.000) 6.896 9.827 ( 0.000 -2.394 0.000) 2.394 9.872 ( 0.000 -4.343 0.000) 4.343 9.972 ( 0.000 -3.901 0.000) 3.901 10.144 ( 0.000 3.240 0.000) 3.240 10.456 ( 0.000 -2.992 0.000) 2.992 10.558 ( 0.000 9.535 0.000) 9.535 10.652 ( 0.000 3.340 0.000) 3.340 10.770 ( 0.000 12.059 0.000) 12.059 10.850 ( 0.000 4.008 0.000) 4.008 11.066 ( 0.000 5.145 0.000) 5.145 11.331 ( 0.000 -2.882 0.000) 2.882 11.517 ( 0.000 -2.345 0.000) 2.345 11.712 ( 0.000 -2.444 0.000) 2.444 18.737 ( 0.000 1.315 0.000) 1.315 18.856 ( 0.000 0.863 0.000) 0.863 19.188 ( 0.000 -3.568 0.000) 3.568 19.197 ( 0.000 1.137 0.000) 1.137 19.328 ( 0.000 2.308 0.000) 2.308 19.432 ( 0.000 -0.159 0.000) 0.159 19.555 ( 0.000 -1.602 0.000) 1.602 19.919 ( 0.000 -2.275 0.000) 2.275 19.994 ( 0.000 7.700 0.000) 7.700 20.210 ( 0.000 -4.111 0.000) 4.111 20.434 ( 0.000 -3.090 0.000) 3.090 20.649 ( 0.000 -0.170 0.000) 0.170 20.724 ( 0.000 -1.098 0.000) 1.098 20.806 ( 0.000 0.474 0.000) 0.474 20.820 ( 0.000 2.779 0.000) 2.779 20.940 ( 0.000 -1.200 0.000) 1.200 ======================= Grid point 6 (5/65) ======================= q-point: ( 0.20 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 16.907 9.337 8.635) 21.156 0.707 ( 14.211 17.738 7.691) 23.995 1.124 ( 21.789 25.955 3.141) 34.034 1.294 ( -1.988 16.005 -4.537) 16.754 1.535 ( 3.552 6.729 7.256) 10.514 1.663 ( 5.011 13.477 7.025) 16.003 1.806 ( 0.694 7.166 -3.315) 7.926 2.013 ( 2.530 4.965 1.245) 5.710 2.129 ( -1.510 4.181 0.207) 4.450 2.160 ( -2.315 0.055 -6.353) 6.762 2.225 ( 7.515 -2.399 -7.395) 10.813 2.358 ( -4.907 -0.629 2.871) 5.720 2.457 ( -5.674 2.031 7.807) 9.862 2.514 ( -0.965 4.387 -0.765) 4.557 2.600 ( 0.223 -0.338 1.506) 1.559 2.649 ( -6.888 -0.145 -1.496) 7.051 2.735 ( -5.358 2.728 -0.518) 6.034 2.841 ( -2.077 1.684 2.234) 3.485 2.957 ( 3.660 0.372 4.313) 5.669 3.016 ( 5.834 -0.596 -2.797) 6.498 3.085 ( 0.083 -4.841 -2.719) 5.553 3.122 ( 1.921 1.113 0.140) 2.224 3.202 ( 3.164 4.136 -0.305) 5.216 3.253 ( -0.388 1.167 -0.242) 1.254 3.281 ( 4.504 -1.857 -0.685) 4.919 3.336 ( 0.092 -1.288 -0.828) 1.534 3.473 ( -2.662 -0.082 -0.626) 2.736 3.519 ( -4.566 -2.054 -3.300) 5.997 3.609 ( -0.795 0.048 -0.270) 0.841 3.618 ( -6.653 0.918 -0.736) 6.756 3.683 ( -4.564 2.651 -0.547) 5.307 3.741 ( -4.794 0.949 -1.359) 5.073 3.823 ( -3.688 5.918 -5.858) 9.107 3.854 ( 0.418 -3.100 8.900) 9.433 3.973 ( -2.351 -6.746 -0.272) 7.149 3.995 ( -0.460 -1.685 1.208) 2.124 4.092 ( -2.240 -0.654 -0.561) 2.400 4.117 ( -1.196 -3.867 -0.822) 4.130 4.161 ( -1.059 1.280 3.343) 3.733 4.293 ( -4.572 -2.024 -0.567) 5.032 4.336 ( 3.741 -4.120 -4.118) 6.923 4.390 ( 1.884 -1.243 -5.754) 6.181 4.470 ( -7.200 1.306 2.727) 7.809 4.561 ( 0.816 -0.900 -9.935) 10.009 4.564 ( 1.638 0.078 -1.314) 2.102 4.697 ( 0.912 -4.091 2.166) 4.718 4.736 ( 5.050 -2.319 0.028) 5.557 4.841 ( -0.789 -1.091 4.700) 4.889 4.916 ( 0.631 4.710 2.182) 5.229 4.994 ( -0.123 -0.806 -2.137) 2.288 5.008 ( -1.084 -0.724 0.909) 1.589 5.035 ( -0.755 -1.400 0.846) 1.802 5.102 ( -1.819 -4.263 -1.015) 4.745 5.154 ( -4.587 1.217 4.540) 6.568 5.204 ( 2.461 -7.466 4.369) 8.993 5.253 ( 2.880 -7.901 -4.506) 9.541 5.389 ( 2.222 -4.586 1.228) 5.241 5.394 ( 3.327 -3.687 1.416) 5.164 5.475 ( 3.860 -1.702 1.404) 4.446 5.515 ( 3.311 -2.578 0.367) 4.213 5.551 ( 9.199 -4.843 3.772) 11.058 5.712 ( 6.304 -1.002 0.706) 6.422 5.738 ( -4.378 -1.947 -2.186) 5.267 5.929 ( -0.289 -5.102 0.707) 5.159 5.987 ( -0.266 -0.499 0.650) 0.861 6.036 ( 1.526 0.785 1.556) 2.316 6.101 ( -0.058 4.434 0.675) 4.485 6.187 ( 0.785 3.522 -2.056) 4.153 6.366 ( 0.928 -0.889 -0.523) 1.388 6.554 ( -6.273 5.062 1.148) 8.142 6.710 ( 0.573 1.137 0.414) 1.339 6.802 ( -4.234 3.904 -5.625) 8.050 8.254 ( -1.061 0.344 -0.688) 1.311 8.372 ( 0.875 0.168 1.519) 1.761 8.449 ( 4.269 -1.127 2.668) 5.159 8.883 ( -1.859 -7.454 -2.140) 7.975 9.221 ( -0.777 -1.290 0.917) 1.763 9.412 ( 1.478 -7.086 -2.556) 7.677 9.508 ( 1.530 -6.226 -1.254) 6.533 9.821 ( -4.212 -4.712 -3.161) 7.067 9.877 ( 3.850 -4.648 -7.603) 9.707 9.954 ( 0.661 -2.860 -0.257) 2.947 10.141 ( 0.113 4.716 2.383) 5.285 10.430 ( -2.796 3.412 -1.117) 4.550 10.558 ( -0.817 8.373 -0.062) 8.413 10.582 ( -0.545 10.491 -5.007) 11.637 10.723 ( -1.662 8.231 -1.132) 8.473 10.842 ( -1.517 4.389 0.764) 4.706 11.068 ( 5.638 -1.437 2.639) 6.389 11.456 ( -0.179 -4.745 4.545) 6.573 11.597 ( 1.361 -3.103 8.764) 9.397 11.689 ( -1.782 -1.493 0.544) 2.387 18.735 ( -0.389 1.233 0.389) 1.349 18.855 ( -0.356 1.388 1.239) 1.895 18.983 ( -5.071 9.131 -7.346) 12.769 19.221 ( -0.128 -4.835 3.774) 6.135 19.398 ( 2.954 -0.591 2.048) 3.643 19.464 ( 2.285 0.812 1.249) 2.728 19.536 ( 0.456 -1.072 0.020) 1.165 19.848 ( -7.920 8.726 4.057) 12.463 19.942 ( -4.582 -1.835 -3.199) 5.882 20.255 ( 1.312 0.114 4.670) 4.852 20.357 ( 1.775 -8.338 -7.344) 11.252 20.585 ( 1.597 2.067 -5.219) 5.836 20.743 ( 0.364 -1.634 0.846) 1.876 20.805 ( 0.157 0.348 -0.089) 0.392 20.923 ( -1.244 -1.090 -0.890) 1.878 21.090 ( 6.898 -3.586 5.393) 9.462 ======================= Grid point 7 (6/65) ======================= q-point: ( 0.40 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 7.023 24.081 0.091) 25.084 0.997 ( 13.659 4.027 8.964) 16.827 1.243 ( -2.190 13.333 -1.502) 13.595 1.455 ( -2.906 5.448 -4.618) 7.711 1.591 ( 8.880 0.401 8.517) 12.311 1.827 ( 3.955 12.360 5.163) 13.966 1.956 ( 7.134 -1.209 4.100) 8.316 2.022 ( 1.423 0.629 -4.686) 4.937 2.083 ( -0.205 4.853 2.356) 5.398 2.153 ( 6.393 -1.764 -2.669) 7.149 2.261 ( -8.917 -0.138 -2.782) 9.342 2.309 ( 5.747 -0.492 -7.383) 9.369 2.340 ( -2.875 2.554 4.106) 5.626 2.474 ( -3.785 2.042 -7.360) 8.525 2.538 ( -0.593 2.506 5.289) 5.883 2.622 ( 0.044 9.646 7.540) 12.243 2.719 ( 1.338 -7.895 -2.765) 8.472 2.866 ( -6.187 2.528 4.481) 8.047 2.958 ( -7.553 3.122 -3.097) 8.740 2.966 ( -2.093 0.237 -4.106) 4.614 3.123 ( 3.750 3.047 -0.565) 4.865 3.149 ( -0.771 1.470 2.248) 2.795 3.189 ( 0.099 3.278 -3.572) 4.849 3.273 ( 0.443 0.234 0.145) 0.521 3.311 ( 2.994 -1.745 -1.407) 3.740 3.360 ( -2.211 1.672 6.486) 7.054 3.420 ( 1.286 0.734 -3.279) 3.598 3.484 ( -0.829 1.647 0.077) 1.845 3.525 ( 0.224 -0.036 1.783) 1.797 3.565 ( 2.202 4.516 6.362) 8.107 3.624 ( -0.579 1.312 -4.163) 4.403 3.667 ( -2.933 1.591 -4.375) 5.502 3.803 ( 2.092 2.642 -0.052) 3.370 3.905 ( -2.516 -5.066 -1.040) 5.751 3.926 ( -1.020 -2.164 -4.815) 5.377 3.975 ( -3.879 -3.160 2.183) 5.459 4.006 ( -4.835 2.352 2.240) 5.825 4.086 ( -0.280 -0.574 6.147) 6.180 4.172 ( -1.731 -4.369 2.653) 5.396 4.205 ( 1.079 0.967 -4.056) 4.307 4.280 ( -2.131 0.940 -5.895) 6.338 4.382 ( -2.904 1.523 0.193) 3.284 4.429 ( 1.559 -9.857 -1.708) 10.125 4.524 ( 0.252 1.392 -3.686) 3.948 4.645 ( 4.516 -4.098 0.514) 6.120 4.712 ( 3.299 -4.045 -1.044) 5.323 4.788 ( -3.038 -3.524 1.275) 4.825 4.884 ( 2.678 -0.159 4.097) 4.897 4.958 ( -0.028 0.508 -1.651) 1.727 4.979 ( -0.350 0.062 -1.712) 1.748 4.998 ( -0.339 1.864 -0.875) 2.087 5.037 ( 3.517 -4.279 1.895) 5.854 5.061 ( -1.318 -1.007 0.156) 1.667 5.136 ( 0.132 -2.983 3.096) 4.301 5.217 ( -4.293 -5.404 1.346) 7.032 5.248 ( 0.501 -4.353 0.576) 4.419 5.400 ( -1.039 -1.851 -2.425) 3.223 5.443 ( 0.258 -3.351 1.149) 3.552 5.469 ( -0.553 -2.837 0.947) 3.042 5.557 ( -1.224 1.617 -1.829) 2.731 5.696 ( 3.633 -6.504 -0.025) 7.450 5.746 ( 3.124 -8.311 2.684) 9.276 5.848 ( 7.054 -3.054 0.213) 7.690 5.928 ( -0.968 -5.458 0.485) 5.565 5.993 ( 1.299 -0.208 -0.297) 1.348 6.041 ( -2.784 0.985 1.791) 3.453 6.103 ( -0.024 3.254 1.054) 3.420 6.141 ( -2.147 3.475 -3.193) 5.185 6.381 ( 0.604 -1.192 -0.172) 1.347 6.509 ( 0.079 4.430 0.266) 4.438 6.717 ( -1.887 7.759 -1.587) 8.141 6.720 ( 0.218 1.598 0.086) 1.615 8.237 ( -0.289 0.385 -0.436) 0.650 8.391 ( 0.190 -0.044 0.780) 0.804 8.586 ( 5.963 -4.055 4.362) 8.428 8.798 ( -4.142 -5.313 -3.996) 7.833 9.234 ( 0.515 -3.124 0.879) 3.286 9.408 ( 0.079 -6.751 -1.433) 6.901 9.544 ( 2.985 -4.019 -0.442) 5.026 9.672 ( -6.059 -5.291 -2.218) 8.344 9.903 ( 2.243 -3.879 -3.258) 5.540 9.966 ( 0.236 -1.632 0.145) 1.655 10.195 ( 2.023 5.936 4.244) 7.573 10.348 ( -2.713 9.101 -4.072) 10.333 10.531 ( -0.183 0.785 -1.306) 1.534 10.587 ( 0.308 10.825 1.038) 10.879 10.693 ( -0.669 5.550 -0.818) 5.650 10.819 ( -1.006 2.978 0.402) 3.169 11.207 ( 3.967 -5.780 3.428) 7.803 11.483 ( 2.979 -1.242 -1.049) 3.394 11.568 ( -5.605 -2.074 1.513) 6.165 11.702 ( 0.334 1.285 2.182) 2.554 18.730 ( -0.235 0.830 0.174) 0.880 18.868 ( 0.217 2.081 2.498) 3.258 18.902 ( -0.789 5.470 -3.681) 6.640 19.239 ( -0.022 -5.617 1.116) 5.727 19.478 ( 1.941 -0.125 3.122) 3.679 19.518 ( 2.927 0.118 -1.209) 3.169 19.583 ( 2.862 -0.648 5.102) 5.886 19.717 ( -4.834 3.878 -6.830) 9.222 19.813 ( -5.512 0.316 0.438) 5.538 20.303 ( 0.669 3.216 2.071) 3.883 20.363 ( 1.390 -11.337 -2.073) 11.608 20.585 ( 0.734 1.671 -1.499) 2.362 20.759 ( 0.522 -2.539 0.549) 2.650 20.807 ( 0.120 0.482 -0.083) 0.503 20.890 ( -1.053 -0.446 -0.694) 1.338 21.170 ( 0.940 1.349 0.948) 1.898 ======================= Grid point 10 (7/65) ======================= q-point: ( 0.00 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 0.000 15.918 0.000) 15.918 0.841 ( 0.000 21.325 0.000) 21.325 1.413 ( 0.000 -0.763 0.000) 0.763 1.610 ( 0.000 27.051 0.000) 27.051 1.769 ( 0.000 6.668 0.000) 6.668 1.915 ( 0.000 15.384 0.000) 15.384 2.008 ( 0.000 11.055 0.000) 11.055 2.095 ( 0.000 7.671 0.000) 7.671 2.131 ( 0.000 -0.517 0.000) 0.517 2.218 ( 0.000 3.143 0.000) 3.143 2.263 ( 0.000 16.191 0.000) 16.191 2.494 ( 0.000 5.853 0.000) 5.853 2.540 ( 0.000 0.419 0.000) 0.419 2.589 ( 0.000 3.995 0.000) 3.995 2.600 ( 0.000 3.291 0.000) 3.291 2.735 ( 0.000 -3.527 0.000) 3.527 2.745 ( 0.000 0.622 0.000) 0.622 2.789 ( 0.000 -3.013 0.000) 3.013 2.995 ( 0.000 -0.382 0.000) 0.382 3.015 ( 0.000 0.857 0.000) 0.857 3.086 ( 0.000 -0.230 0.000) 0.230 3.096 ( 0.000 -2.679 0.000) 2.679 3.187 ( 0.000 -1.092 0.000) 1.092 3.207 ( 0.000 2.532 0.000) 2.532 3.257 ( 0.000 1.636 0.000) 1.636 3.326 ( 0.000 2.276 0.000) 2.276 3.473 ( 0.000 0.357 0.000) 0.357 3.517 ( 0.000 -1.532 0.000) 1.532 3.546 ( 0.000 -2.736 0.000) 2.736 3.606 ( 0.000 -8.036 0.000) 8.036 3.687 ( 0.000 -1.216 0.000) 1.216 3.781 ( 0.000 -1.980 0.000) 1.980 3.805 ( 0.000 2.896 0.000) 2.896 3.883 ( 0.000 -4.149 0.000) 4.149 3.980 ( 0.000 -3.761 0.000) 3.761 3.998 ( 0.000 -3.554 0.000) 3.554 4.098 ( 0.000 1.563 0.000) 1.563 4.141 ( 0.000 -0.372 0.000) 0.372 4.188 ( 0.000 -1.098 0.000) 1.098 4.242 ( 0.000 -4.425 0.000) 4.425 4.264 ( 0.000 -1.215 0.000) 1.215 4.448 ( 0.000 0.647 0.000) 0.647 4.463 ( 0.000 -3.909 0.000) 3.909 4.536 ( 0.000 -2.807 0.000) 2.807 4.549 ( 0.000 -1.577 0.000) 1.577 4.606 ( 0.000 0.200 0.000) 0.200 4.689 ( 0.000 -1.989 0.000) 1.989 4.770 ( 0.000 -11.553 0.000) 11.553 4.896 ( 0.000 -3.377 0.000) 3.377 4.924 ( 0.000 3.130 0.000) 3.130 4.981 ( 0.000 -4.271 0.000) 4.271 5.003 ( 0.000 -0.044 0.000) 0.044 5.055 ( 0.000 -1.193 0.000) 1.193 5.069 ( 0.000 -1.080 0.000) 1.080 5.192 ( 0.000 2.452 0.000) 2.452 5.231 ( 0.000 0.880 0.000) 0.880 5.285 ( 0.000 -0.989 0.000) 0.989 5.308 ( 0.000 -1.597 0.000) 1.597 5.361 ( 0.000 0.418 0.000) 0.418 5.455 ( 0.000 5.990 0.000) 5.990 5.546 ( 0.000 2.629 0.000) 2.629 5.659 ( 0.000 -1.560 0.000) 1.560 5.742 ( 0.000 -3.051 0.000) 3.051 5.859 ( 0.000 -4.866 0.000) 4.866 5.949 ( 0.000 -3.530 0.000) 3.530 5.982 ( 0.000 -2.239 0.000) 2.239 6.177 ( 0.000 1.740 0.000) 1.740 6.244 ( 0.000 2.154 0.000) 2.154 6.376 ( 0.000 2.557 0.000) 2.557 6.672 ( 0.000 -9.412 0.000) 9.412 6.699 ( 0.000 -5.535 0.000) 5.535 6.738 ( 0.000 2.623 0.000) 2.623 8.284 ( 0.000 0.504 0.000) 0.504 8.341 ( 0.000 -0.628 0.000) 0.628 8.409 ( 0.000 0.653 0.000) 0.653 8.733 ( 0.000 -9.195 0.000) 9.195 9.272 ( 0.000 0.326 0.000) 0.326 9.286 ( 0.000 -2.810 0.000) 2.810 9.354 ( 0.000 -6.446 0.000) 6.446 9.784 ( 0.000 -5.798 0.000) 5.798 9.797 ( 0.000 -0.659 0.000) 0.659 9.876 ( 0.000 -4.791 0.000) 4.791 10.204 ( 0.000 2.678 0.000) 2.678 10.376 ( 0.000 -4.572 0.000) 4.572 10.762 ( 0.000 10.882 0.000) 10.882 10.785 ( 0.000 8.696 0.000) 8.696 10.916 ( 0.000 6.228 0.000) 6.228 11.003 ( 0.000 8.419 0.000) 8.419 11.174 ( 0.000 5.958 0.000) 5.958 11.261 ( 0.000 -4.267 0.000) 4.267 11.463 ( 0.000 -3.238 0.000) 3.238 11.632 ( 0.000 -5.980 0.000) 5.980 18.771 ( 0.000 2.186 0.000) 2.186 18.874 ( 0.000 0.838 0.000) 0.838 19.147 ( 0.000 -0.336 0.000) 0.336 19.226 ( 0.000 1.779 0.000) 1.779 19.351 ( 0.000 0.169 0.000) 0.169 19.421 ( 0.000 -1.304 0.000) 1.304 19.547 ( 0.000 0.931 0.000) 0.931 19.857 ( 0.000 -4.271 0.000) 4.271 20.123 ( 0.000 -4.327 0.000) 4.327 20.137 ( 0.000 5.598 0.000) 5.598 20.375 ( 0.000 -1.688 0.000) 1.688 20.636 ( 0.000 -1.305 0.000) 1.305 20.721 ( 0.000 0.674 0.000) 0.674 20.816 ( 0.000 0.457 0.000) 0.457 20.862 ( 0.000 1.629 0.000) 1.629 20.910 ( 0.000 -1.680 0.000) 1.680 ======================= Grid point 11 (8/65) ======================= q-point: ( 0.20 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 9.756 11.496 3.751) 15.537 0.977 ( 11.690 13.344 5.857) 18.682 1.413 ( -0.949 -0.946 0.514) 1.435 1.663 ( 5.310 22.709 -4.086) 23.677 1.700 ( -3.039 5.794 -2.320) 6.942 1.885 ( -1.699 5.638 -2.841) 6.538 2.035 ( 1.908 18.106 3.161) 18.479 2.113 ( -1.912 0.262 -1.335) 2.346 2.143 ( 5.465 5.074 -4.213) 8.565 2.227 ( -0.118 6.997 -1.148) 7.091 2.257 ( -0.904 7.033 -4.874) 8.605 2.391 ( -3.398 2.385 3.072) 5.165 2.491 ( -0.784 1.974 -2.563) 3.329 2.576 ( -4.065 -0.789 -1.574) 4.430 2.618 ( -8.265 -0.561 -3.400) 8.955 2.686 ( 3.384 9.649 6.619) 12.180 2.815 ( -0.714 3.729 4.747) 6.079 2.903 ( 0.087 2.125 9.233) 9.474 2.946 ( 0.394 1.135 3.630) 3.823 2.993 ( 1.864 -2.101 -2.497) 3.758 3.042 ( 5.501 -0.371 -1.926) 5.841 3.130 ( 0.010 0.848 -2.309) 2.460 3.212 ( 1.717 -4.723 2.054) 5.429 3.266 ( 3.048 3.157 -0.166) 4.391 3.310 ( 1.038 2.966 0.637) 3.206 3.325 ( 2.078 0.437 0.053) 2.124 3.474 ( -1.766 -1.277 0.615) 2.265 3.495 ( -0.485 4.349 -2.437) 5.009 3.577 ( 2.690 -2.332 -0.090) 3.561 3.635 ( -0.994 -1.877 2.397) 3.202 3.701 ( 5.098 -1.132 -6.521) 8.354 3.769 ( 1.020 -4.666 1.806) 5.106 3.796 ( -13.505 -0.078 -2.762) 13.785 3.846 ( -3.287 0.688 6.382) 7.211 3.890 ( -1.639 -6.292 2.367) 6.920 3.940 ( -4.457 1.546 -1.645) 4.996 4.037 ( 0.951 -4.534 3.180) 5.619 4.081 ( 0.237 0.751 -6.487) 6.535 4.186 ( 1.299 -7.247 -3.639) 8.212 4.219 ( -4.807 2.737 1.828) 5.826 4.288 ( -4.011 -0.812 2.221) 4.657 4.365 ( -1.172 -1.824 -1.103) 2.433 4.450 ( -6.917 -3.667 2.796) 8.314 4.559 ( 2.181 1.232 -5.565) 6.103 4.573 ( 1.678 -0.610 0.145) 1.792 4.614 ( 3.564 -3.511 0.403) 5.019 4.709 ( -0.476 -1.919 -1.439) 2.445 4.781 ( 1.899 -15.672 -3.088) 16.086 4.861 ( -3.747 2.544 1.055) 4.650 4.955 ( -0.289 -6.062 -5.273) 8.040 4.999 ( 1.925 3.180 2.003) 4.223 5.005 ( 2.787 0.041 2.435) 3.701 5.032 ( 0.399 1.349 -1.969) 2.420 5.097 ( 1.423 -4.908 2.309) 5.608 5.183 ( 1.117 0.803 -2.491) 2.845 5.224 ( -5.046 3.766 6.528) 9.069 5.310 ( 2.922 -2.539 -1.583) 4.182 5.349 ( 2.309 -2.046 6.809) 7.475 5.446 ( 6.583 -2.273 0.004) 6.964 5.498 ( 0.978 2.491 1.973) 3.325 5.527 ( 0.044 0.980 -1.073) 1.454 5.657 ( -2.731 -4.845 -1.565) 5.778 5.738 ( 2.578 0.673 -0.900) 2.812 5.833 ( -1.459 -5.617 1.842) 6.089 5.948 ( 0.039 -4.305 0.501) 4.334 6.045 ( 3.717 -0.184 -0.535) 3.760 6.158 ( -1.458 0.996 -0.003) 1.766 6.226 ( -1.435 -0.833 -3.030) 3.455 6.386 ( 1.159 2.673 -0.594) 2.973 6.578 ( -4.787 -2.584 0.436) 5.457 6.708 ( 0.680 -2.452 0.750) 2.653 6.776 ( 1.437 -2.225 -1.609) 3.099 8.267 ( -0.993 0.900 -0.301) 1.374 8.372 ( 1.803 -0.511 1.106) 2.176 8.420 ( 1.226 -1.317 1.071) 2.094 8.721 ( -1.001 -8.646 -1.262) 8.795 9.223 ( -2.432 0.926 0.774) 2.715 9.305 ( 1.242 -3.327 -1.434) 3.830 9.384 ( 2.668 -5.226 -0.522) 5.890 9.731 ( -4.735 -5.357 -2.435) 7.553 9.822 ( 3.524 -1.374 -3.694) 5.286 9.900 ( 2.818 -2.520 -0.977) 3.905 10.219 ( 0.693 3.266 3.619) 4.924 10.407 ( 0.683 -3.384 5.188) 6.232 10.736 ( -4.404 8.238 -2.814) 9.755 10.773 ( 0.899 9.168 -1.833) 9.393 10.864 ( -4.154 7.590 -3.004) 9.159 10.974 ( -2.345 6.852 -2.106) 7.542 11.067 ( 0.240 1.211 -0.506) 1.334 11.385 ( 3.551 -2.090 2.791) 4.977 11.536 ( 2.469 -3.442 5.202) 6.708 11.625 ( -0.344 -5.338 1.927) 5.686 18.767 ( -0.620 2.111 0.510) 2.259 18.876 ( 0.037 0.764 0.657) 1.008 19.123 ( -2.635 5.036 -4.677) 7.360 19.166 ( -3.095 0.327 4.366) 5.362 19.383 ( 1.613 -1.104 2.428) 3.117 19.458 ( 2.807 -1.486 3.117) 4.450 19.546 ( 0.793 1.569 -1.879) 2.574 19.853 ( -2.981 -4.425 3.765) 6.530 19.957 ( -5.229 0.509 -11.519) 12.661 20.191 ( -1.551 -7.301 -7.723) 10.740 20.329 ( 0.421 5.875 6.474) 8.753 20.608 ( 0.543 0.431 -2.973) 3.053 20.729 ( -0.112 0.132 0.899) 0.916 20.814 ( 0.251 0.448 -0.171) 0.541 20.902 ( -0.741 -0.964 -0.182) 1.230 21.037 ( 7.912 -2.489 6.137) 10.317 ======================= Grid point 12 (9/65) ======================= q-point: ( 0.40 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 7.996 2.233 3.869) 9.159 1.283 ( 12.411 6.682 0.120) 14.096 1.361 ( -3.992 3.967 4.312) 7.090 1.631 ( -5.114 2.546 -0.295) 5.720 1.730 ( 3.774 16.658 -2.142) 17.214 1.883 ( 3.637 0.111 4.581) 5.850 2.016 ( -2.823 -4.747 -4.385) 7.052 2.053 ( -2.059 -0.255 -6.646) 6.963 2.143 ( -2.173 6.076 -2.012) 6.759 2.183 ( -2.143 15.838 -3.377) 16.335 2.288 ( 2.886 4.113 1.153) 5.155 2.365 ( -0.062 2.502 -6.272) 6.753 2.439 ( -2.277 5.798 1.579) 6.426 2.513 ( -2.463 -1.022 0.497) 2.713 2.549 ( 5.629 4.080 4.124) 8.083 2.776 ( -0.243 8.869 2.660) 9.262 2.805 ( 0.724 8.024 3.335) 8.720 2.913 ( -1.644 0.307 -0.246) 1.690 2.960 ( -6.214 4.257 1.982) 7.789 3.047 ( 0.254 3.330 2.300) 4.055 3.102 ( 4.090 -4.633 0.773) 6.229 3.150 ( 1.182 0.345 -0.963) 1.564 3.258 ( 1.640 -1.870 0.706) 2.586 3.276 ( -1.211 2.137 -1.536) 2.897 3.338 ( 1.184 3.656 -1.164) 4.016 3.387 ( 3.809 -1.691 0.741) 4.233 3.439 ( -1.967 1.859 -0.754) 2.809 3.466 ( -4.211 2.010 2.514) 5.300 3.569 ( -0.599 0.203 3.914) 3.965 3.600 ( 1.614 2.679 -2.305) 3.885 3.664 ( 1.432 2.319 -1.474) 3.098 3.709 ( -3.274 2.180 -1.618) 4.254 3.824 ( -0.737 -3.116 0.119) 3.204 3.851 ( -1.992 -6.622 -2.316) 7.293 3.864 ( 4.454 3.026 2.575) 5.969 3.898 ( 4.096 -1.777 -0.854) 4.545 4.063 ( -2.834 1.556 -4.047) 5.180 4.083 ( -2.141 1.124 2.578) 3.535 4.128 ( -2.009 -2.111 5.147) 5.914 4.187 ( 0.494 -5.026 -2.722) 5.737 4.237 ( -3.841 -4.200 1.547) 5.898 4.272 ( -2.062 -1.612 -2.502) 3.621 4.356 ( -3.187 -2.714 1.032) 4.311 4.569 ( 2.769 -0.219 -3.223) 4.254 4.636 ( 1.545 2.656 0.214) 3.081 4.652 ( -2.103 -0.894 -0.931) 2.467 4.667 ( 1.188 -8.686 0.351) 8.773 4.752 ( -1.339 -12.739 -1.423) 12.888 4.854 ( 0.187 -3.816 3.049) 4.888 4.905 ( -0.490 -6.309 -4.821) 7.955 5.009 ( 1.550 2.438 -2.043) 3.539 5.047 ( -0.064 3.099 -0.587) 3.155 5.096 ( 4.116 1.412 2.853) 5.203 5.135 ( 0.034 1.456 0.930) 1.728 5.186 ( 0.192 -1.121 3.469) 3.651 5.192 ( -1.942 1.553 -0.198) 2.494 5.333 ( 0.713 -3.468 0.990) 3.677 5.406 ( -3.667 -1.273 -0.665) 3.938 5.456 ( -0.665 0.303 2.112) 2.235 5.556 ( 2.756 -5.080 0.922) 5.853 5.565 ( 1.629 -2.256 -1.892) 3.365 5.611 ( 0.815 -4.858 0.537) 4.955 5.782 ( 2.317 -5.869 -2.024) 6.626 5.838 ( -1.008 -4.293 2.832) 5.241 5.964 ( 1.461 -2.542 -0.110) 2.934 6.055 ( -1.663 -0.240 -0.434) 1.735 6.147 ( -1.061 0.055 0.952) 1.426 6.161 ( -0.472 -1.645 -3.078) 3.522 6.402 ( 0.678 2.764 -0.338) 2.866 6.548 ( 0.092 0.486 0.446) 0.666 6.726 ( 0.428 -1.664 0.471) 1.782 6.772 ( -0.218 -1.185 -0.728) 1.407 8.253 ( -0.246 1.327 -0.198) 1.364 8.393 ( 0.048 0.293 0.490) 0.573 8.486 ( 3.221 -5.767 1.815) 6.850 8.673 ( -2.210 -7.192 -1.777) 7.731 9.209 ( -0.061 0.608 0.496) 0.786 9.303 ( -0.143 -3.692 -0.866) 3.795 9.460 ( 5.203 -3.427 0.983) 6.307 9.593 ( -6.681 -3.004 -2.603) 7.774 9.862 ( 2.181 -0.997 -1.894) 3.056 9.936 ( 1.223 -1.480 -0.590) 2.009 10.298 ( 3.450 4.480 5.405) 7.822 10.451 ( 0.137 0.829 2.213) 2.367 10.565 ( -6.235 3.985 -5.810) 9.408 10.802 ( 1.449 9.754 1.396) 9.959 10.810 ( -0.091 4.902 -1.324) 5.078 10.883 ( -3.673 3.998 -2.610) 6.024 11.123 ( 1.707 -1.627 2.403) 3.367 11.452 ( 3.550 -1.428 -2.037) 4.335 11.533 ( -3.552 -1.914 2.730) 4.871 11.675 ( 1.449 -4.281 2.208) 5.030 18.757 ( -0.513 1.918 0.217) 1.998 18.886 ( 0.250 0.355 0.737) 0.855 19.048 ( -1.728 8.536 -1.203) 8.792 19.161 ( -0.322 -1.739 0.760) 1.925 19.444 ( 2.089 -3.009 2.904) 4.675 19.536 ( -0.501 1.201 -1.530) 2.008 19.568 ( 4.651 -1.480 5.471) 7.331 19.758 ( -5.704 0.902 -8.690) 10.434 19.814 ( -2.905 -0.114 1.254) 3.166 20.121 ( 0.174 -12.894 -4.427) 13.634 20.394 ( 0.846 5.782 3.091) 6.611 20.605 ( 0.446 0.513 -0.978) 1.191 20.734 ( 0.048 -0.229 0.362) 0.431 20.817 ( 0.140 0.239 -0.185) 0.333 20.888 ( -0.457 0.563 0.018) 0.726 21.163 ( 2.288 -2.141 1.858) 3.643 ======================= Grid point 15 (10/65) ======================= q-point: ( 0.00 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 0.000 12.508 0.000) 12.508 1.213 ( 0.000 17.626 0.000) 17.626 1.329 ( 0.000 -7.160 0.000) 7.160 1.698 ( 0.000 -7.197 0.000) 7.197 1.970 ( 0.000 3.356 0.000) 3.356 2.016 ( 0.000 10.062 0.000) 10.062 2.144 ( 0.000 2.269 0.000) 2.269 2.257 ( 0.000 3.154 0.000) 3.154 2.290 ( 0.000 10.975 0.000) 10.975 2.379 ( 0.000 11.348 0.000) 11.348 2.457 ( 0.000 -5.736 0.000) 5.736 2.529 ( 0.000 -0.930 0.000) 0.930 2.574 ( 0.000 0.041 0.000) 0.041 2.596 ( 0.000 5.870 0.000) 5.870 2.697 ( 0.000 5.905 0.000) 5.905 2.734 ( 0.000 1.095 0.000) 1.095 2.797 ( 0.000 5.098 0.000) 5.098 2.812 ( 0.000 5.245 0.000) 5.245 2.891 ( 0.000 -0.511 0.000) 0.511 2.983 ( 0.000 -4.832 0.000) 4.832 3.072 ( 0.000 -0.829 0.000) 0.829 3.118 ( 0.000 3.158 0.000) 3.158 3.204 ( 0.000 2.585 0.000) 2.585 3.229 ( 0.000 -0.383 0.000) 0.383 3.327 ( 0.000 0.691 0.000) 0.691 3.398 ( 0.000 1.866 0.000) 1.866 3.459 ( 0.000 -3.790 0.000) 3.790 3.514 ( 0.000 -0.052 0.000) 0.052 3.515 ( 0.000 3.958 0.000) 3.958 3.541 ( 0.000 -3.323 0.000) 3.323 3.663 ( 0.000 -0.930 0.000) 0.930 3.680 ( 0.000 2.986 0.000) 2.986 3.775 ( 0.000 -8.038 0.000) 8.038 3.891 ( 0.000 1.265 0.000) 1.265 3.941 ( 0.000 -1.586 0.000) 1.586 3.981 ( 0.000 2.540 0.000) 2.540 4.000 ( 0.000 -10.673 0.000) 10.673 4.115 ( 0.000 -6.646 0.000) 6.646 4.144 ( 0.000 4.615 0.000) 4.615 4.209 ( 0.000 3.438 0.000) 3.438 4.316 ( 0.000 0.121 0.000) 0.121 4.389 ( 0.000 -4.775 0.000) 4.775 4.439 ( 0.000 -1.189 0.000) 1.189 4.441 ( 0.000 -3.749 0.000) 3.749 4.531 ( 0.000 -3.703 0.000) 3.703 4.539 ( 0.000 -0.410 0.000) 0.410 4.593 ( 0.000 -0.522 0.000) 0.522 4.756 ( 0.000 1.464 0.000) 1.464 4.830 ( 0.000 -5.969 0.000) 5.969 4.936 ( 0.000 -2.988 0.000) 2.988 4.964 ( 0.000 3.628 0.000) 3.628 4.980 ( 0.000 0.318 0.000) 0.318 5.067 ( 0.000 0.562 0.000) 0.562 5.088 ( 0.000 3.928 0.000) 3.928 5.240 ( 0.000 -0.477 0.000) 0.477 5.248 ( 0.000 0.034 0.000) 0.034 5.282 ( 0.000 -0.681 0.000) 0.681 5.330 ( 0.000 7.690 0.000) 7.690 5.365 ( 0.000 0.360 0.000) 0.360 5.555 ( 0.000 -6.521 0.000) 6.521 5.571 ( 0.000 1.733 0.000) 1.733 5.624 ( 0.000 2.997 0.000) 2.997 5.709 ( 0.000 -4.297 0.000) 4.297 5.727 ( 0.000 0.648 0.000) 0.648 5.922 ( 0.000 -3.812 0.000) 3.812 5.928 ( 0.000 0.009 0.000) 0.009 6.137 ( 0.000 -13.117 0.000) 13.117 6.151 ( 0.000 -4.256 0.000) 4.256 6.448 ( 0.000 4.719 0.000) 4.719 6.563 ( 0.000 2.257 0.000) 2.257 6.635 ( 0.000 -4.166 0.000) 4.166 6.735 ( 0.000 -2.641 0.000) 2.641 8.294 ( 0.000 0.574 0.000) 0.574 8.325 ( 0.000 -1.025 0.000) 1.025 8.430 ( 0.000 1.783 0.000) 1.783 8.581 ( 0.000 -6.648 0.000) 6.648 9.261 ( 0.000 -1.679 0.000) 1.679 9.268 ( 0.000 -0.711 0.000) 0.711 9.317 ( 0.000 4.200 0.000) 4.200 9.632 ( 0.000 -9.523 0.000) 9.523 9.795 ( 0.000 0.261 0.000) 0.261 9.821 ( 0.000 -1.488 0.000) 1.488 10.242 ( 0.000 1.470 0.000) 1.470 10.304 ( 0.000 -2.804 0.000) 2.804 10.941 ( 0.000 7.635 0.000) 7.635 10.945 ( 0.000 8.096 0.000) 8.096 11.058 ( 0.000 7.445 0.000) 7.445 11.099 ( 0.000 2.769 0.000) 2.769 11.176 ( 0.000 -4.711 0.000) 4.711 11.287 ( 0.000 5.707 0.000) 5.707 11.385 ( 0.000 -5.557 0.000) 5.557 11.500 ( 0.000 -7.109 0.000) 7.109 18.815 ( 0.000 2.370 0.000) 2.370 18.879 ( 0.000 -0.491 0.000) 0.491 19.178 ( 0.000 3.279 0.000) 3.279 19.258 ( 0.000 1.288 0.000) 1.288 19.344 ( 0.000 -0.670 0.000) 0.670 19.378 ( 0.000 -3.020 0.000) 3.020 19.587 ( 0.000 3.139 0.000) 3.139 19.762 ( 0.000 -5.441 0.000) 5.441 20.071 ( 0.000 -0.835 0.000) 0.835 20.152 ( 0.000 -2.948 0.000) 2.948 20.421 ( 0.000 5.523 0.000) 5.523 20.598 ( 0.000 -2.821 0.000) 2.821 20.744 ( 0.000 1.619 0.000) 1.619 20.812 ( 0.000 -1.147 0.000) 1.147 20.882 ( 0.000 0.483 0.000) 0.483 20.887 ( 0.000 -0.572 0.000) 0.572 ======================= Grid point 16 (11/65) ======================= q-point: ( 0.20 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 4.922 9.538 0.368) 10.739 1.224 ( 3.191 10.756 -1.083) 11.272 1.339 ( 1.037 -3.607 0.710) 3.820 1.676 ( -0.864 -6.666 -4.590) 8.140 1.943 ( -3.563 8.443 -6.643) 11.319 1.948 ( -0.443 2.769 -3.607) 4.569 2.168 ( 0.427 2.007 -1.281) 2.419 2.232 ( -2.715 6.501 -4.911) 8.588 2.258 ( 0.968 2.936 -4.790) 5.701 2.331 ( -2.204 3.787 -3.808) 5.806 2.421 ( 0.677 1.627 2.620) 3.158 2.534 ( 0.756 4.646 4.293) 6.370 2.541 ( -5.377 5.801 -4.122) 8.919 2.567 ( -2.563 9.299 -2.165) 9.886 2.634 ( -3.906 -0.017 -0.247) 3.914 2.770 ( 3.734 -0.852 4.913) 6.230 2.808 ( -0.299 -2.543 3.018) 3.958 2.919 ( 4.191 2.376 7.806) 9.174 2.985 ( 1.494 -1.921 2.035) 3.172 3.005 ( 1.765 3.883 4.863) 6.469 3.041 ( -0.517 2.808 0.603) 2.918 3.156 ( 2.122 1.753 2.816) 3.938 3.196 ( 2.051 1.189 -2.075) 3.151 3.267 ( -0.520 -1.526 3.924) 4.243 3.352 ( -0.493 2.089 -2.368) 3.196 3.408 ( 0.528 2.533 3.334) 4.221 3.478 ( -0.493 2.891 3.859) 4.847 3.520 ( 2.724 -3.495 -0.823) 4.506 3.582 ( 5.590 -4.705 -3.370) 8.046 3.592 ( 4.191 -1.347 2.857) 5.248 3.617 ( -3.767 1.318 -0.214) 3.997 3.706 ( 3.423 0.688 -3.857) 5.202 3.764 ( -8.699 -1.189 2.525) 9.135 3.783 ( -0.620 -5.747 -4.714) 7.459 3.886 ( 0.946 0.224 -0.803) 1.261 3.930 ( -3.448 -2.077 1.672) 4.359 4.000 ( -1.380 -0.015 1.377) 1.950 4.068 ( -1.974 -4.964 0.100) 5.343 4.148 ( -0.598 5.994 -5.924) 8.449 4.247 ( -5.430 1.031 -1.191) 5.654 4.280 ( 0.556 -0.059 4.067) 4.106 4.320 ( -2.698 -4.494 4.351) 6.812 4.397 ( -5.838 -0.551 6.268) 8.584 4.427 ( -1.177 -5.002 -2.785) 5.845 4.554 ( 4.788 -3.997 -7.738) 9.939 4.594 ( 4.200 -1.798 -0.647) 4.614 4.665 ( 3.879 -1.653 -1.271) 4.404 4.689 ( -3.649 5.137 0.874) 6.361 4.819 ( -0.610 -7.158 -3.774) 8.115 4.937 ( -2.497 0.155 1.482) 2.908 5.024 ( 4.106 2.939 0.429) 5.068 5.037 ( -1.352 0.316 2.048) 2.474 5.046 ( 5.698 1.356 -1.093) 5.958 5.084 ( 1.272 3.980 -1.725) 4.520 5.234 ( -2.065 2.435 1.558) 3.553 5.262 ( 0.950 -3.101 0.289) 3.256 5.280 ( -0.537 2.323 1.417) 2.773 5.345 ( 1.115 2.662 3.230) 4.331 5.416 ( 3.814 -0.804 0.530) 3.934 5.529 ( -1.407 -6.324 -2.799) 7.058 5.541 ( -4.885 0.522 1.290) 5.079 5.587 ( -1.329 3.867 -0.322) 4.102 5.676 ( -1.949 -8.450 1.109) 8.743 5.761 ( -0.526 0.601 0.131) 0.809 5.883 ( 1.999 -1.807 0.139) 2.698 6.032 ( 4.778 -0.994 -0.963) 4.974 6.078 ( -3.297 -12.524 -3.430) 13.397 6.133 ( -1.363 -4.243 -0.990) 4.565 6.457 ( 0.941 4.486 -0.241) 4.590 6.565 ( 0.007 2.807 0.464) 2.845 6.639 ( 0.631 -4.352 0.232) 4.404 6.731 ( -0.454 -3.388 -0.291) 3.431 8.286 ( -0.389 1.079 -0.073) 1.150 8.343 ( 1.400 -2.059 0.761) 2.603 8.424 ( -0.472 1.624 -0.206) 1.704 8.575 ( -0.506 -6.543 -0.940) 6.630 9.239 ( -0.782 0.662 0.091) 1.029 9.276 ( 0.373 -0.942 -1.252) 1.610 9.354 ( 2.935 2.811 1.282) 4.261 9.608 ( -2.296 -7.492 -0.588) 7.858 9.816 ( 2.985 0.543 -1.800) 3.527 9.862 ( 3.752 -1.636 -1.450) 4.342 10.266 ( 1.143 1.909 4.454) 4.979 10.343 ( 1.627 -2.944 5.872) 6.767 10.859 ( -7.142 5.268 -4.881) 10.128 10.909 ( -2.108 4.711 -4.329) 6.736 10.994 ( -3.733 4.249 -3.740) 6.781 11.051 ( -3.838 1.063 -3.666) 5.413 11.132 ( 1.224 6.983 2.566) 7.539 11.382 ( 4.002 1.397 2.318) 4.831 11.461 ( 3.533 -5.327 5.003) 8.117 11.499 ( -0.608 -6.666 1.885) 6.954 18.810 ( -0.768 2.302 0.554) 2.489 18.877 ( -0.355 -0.751 0.567) 1.005 19.178 ( 0.048 3.419 0.046) 3.420 19.238 ( -2.607 4.103 2.403) 5.423 19.355 ( 0.077 -1.858 1.830) 2.609 19.411 ( 2.474 -3.249 2.597) 4.840 19.586 ( 0.247 2.653 -0.720) 2.760 19.753 ( -1.463 -5.663 2.289) 6.281 19.958 ( -4.250 0.544 -11.186) 11.978 20.069 ( -4.352 -5.304 -9.987) 12.117 20.453 ( 0.991 6.302 5.287) 8.285 20.599 ( 0.450 -1.387 -0.704) 1.619 20.744 ( -0.204 1.355 0.397) 1.427 20.810 ( 0.017 -1.144 -0.427) 1.222 20.899 ( 0.774 1.009 1.479) 1.950 20.987 ( 5.740 -2.774 5.030) 8.121 ======================= Grid point 17 (12/65) ======================= q-point: ( 0.40 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 2.113 3.885 0.103) 4.424 1.270 ( 0.884 -3.910 -1.883) 4.429 1.465 ( 9.326 5.175 6.212) 12.343 1.609 ( -1.930 -3.288 -3.778) 5.367 1.833 ( -1.536 0.357 -3.394) 3.743 1.918 ( -4.099 -3.200 -4.610) 6.950 2.020 ( -5.415 3.517 -5.024) 8.182 2.150 ( -1.189 14.760 -3.651) 15.252 2.310 ( 0.669 4.881 6.887) 8.467 2.342 ( 3.279 5.958 -4.191) 7.989 2.384 ( 1.549 1.279 -3.072) 3.671 2.485 ( -0.009 1.736 -0.264) 1.756 2.523 ( -5.151 1.501 -1.358) 5.534 2.548 ( -1.130 9.627 0.295) 9.698 2.626 ( 3.596 2.731 2.847) 5.338 2.836 ( 0.904 -2.144 0.608) 2.404 2.885 ( 2.891 4.296 4.846) 7.092 2.956 ( -2.931 2.648 2.928) 4.917 3.000 ( 2.606 -2.846 -1.895) 4.299 3.013 ( -3.979 0.095 3.206) 5.111 3.046 ( -2.371 -1.846 2.811) 4.115 3.160 ( -1.933 -0.260 -2.662) 3.300 3.249 ( 5.046 0.782 0.305) 5.115 3.304 ( 1.114 -0.242 2.267) 2.537 3.375 ( 0.210 3.221 1.560) 3.585 3.400 ( -0.246 -0.766 1.745) 1.922 3.450 ( -2.636 -1.085 0.478) 2.891 3.528 ( -5.235 -0.016 -2.682) 5.882 3.552 ( -1.516 -1.270 6.294) 6.597 3.571 ( 0.713 -2.991 -6.776) 7.441 3.691 ( 4.543 1.166 -1.233) 4.850 3.716 ( 1.270 -3.634 0.559) 3.890 3.791 ( 4.067 0.709 0.308) 4.139 3.807 ( 3.730 4.897 -0.767) 6.204 3.895 ( -3.745 -0.795 0.703) 3.892 3.950 ( 5.114 4.308 0.972) 6.757 4.019 ( 1.391 -6.653 3.965) 7.869 4.034 ( 2.307 -4.479 -0.681) 5.084 4.108 ( -1.004 3.994 -5.999) 7.276 4.151 ( -2.597 2.871 1.566) 4.176 4.222 ( -3.879 1.041 0.138) 4.019 4.274 ( -9.086 -0.073 2.109) 9.328 4.373 ( -0.071 4.129 -0.499) 4.159 4.401 ( -0.022 -11.546 4.833) 12.517 4.552 ( -0.877 -4.616 -2.069) 5.134 4.590 ( 0.506 -0.437 -4.364) 4.415 4.704 ( 3.328 3.463 -0.648) 4.846 4.732 ( 1.322 1.729 -0.355) 2.205 4.791 ( 2.472 -4.073 -4.815) 6.774 4.850 ( -6.240 3.943 3.361) 8.111 5.061 ( 1.639 2.612 0.234) 3.092 5.085 ( 3.320 -2.107 0.031) 3.933 5.115 ( 2.128 3.660 -2.329) 4.832 5.154 ( 3.640 1.015 1.487) 4.061 5.198 ( -2.746 0.130 3.362) 4.342 5.234 ( -2.090 1.481 -2.276) 3.427 5.290 ( 0.710 -0.931 1.112) 1.615 5.361 ( -4.866 -3.794 1.132) 6.273 5.452 ( -1.214 -1.503 -0.130) 1.937 5.501 ( 2.437 -0.866 2.400) 3.529 5.522 ( 2.993 -1.591 -0.561) 3.436 5.567 ( -0.796 0.417 -0.102) 0.904 5.643 ( -1.841 -6.080 -0.812) 6.404 5.714 ( -3.061 -7.255 -0.096) 7.875 5.946 ( 2.629 -1.066 0.601) 2.900 5.998 ( -1.486 -6.952 -2.524) 7.544 6.068 ( -0.087 -3.947 -1.141) 4.109 6.124 ( 0.716 -2.683 0.102) 2.779 6.473 ( 0.637 4.399 -0.202) 4.449 6.571 ( 0.189 2.295 0.317) 2.324 6.661 ( 1.033 -4.510 0.331) 4.638 6.714 ( -0.782 -4.065 -0.299) 4.150 8.284 ( 0.114 1.847 -0.044) 1.851 8.382 ( 1.541 -3.439 0.725) 3.838 8.414 ( -0.263 0.650 -0.021) 0.702 8.546 ( -1.318 -5.924 -0.957) 6.144 9.238 ( 0.362 1.754 0.003) 1.791 9.268 ( -0.359 -0.495 -0.475) 0.774 9.433 ( 3.829 0.634 1.305) 4.095 9.541 ( -3.579 -2.944 -1.034) 4.748 9.859 ( 1.900 0.666 -1.099) 2.293 9.910 ( 1.851 -1.394 -1.061) 2.549 10.364 ( 4.205 2.575 6.161) 7.891 10.435 ( 2.371 -1.538 4.888) 5.647 10.648 ( -7.761 4.245 -6.701) 11.097 10.798 ( -4.032 -3.304 -4.194) 6.691 10.942 ( -0.584 4.636 -0.024) 4.673 10.985 ( -0.996 3.645 -2.064) 4.305 11.176 ( 0.823 7.322 1.677) 7.556 11.440 ( 1.498 0.196 -0.684) 1.659 11.496 ( -0.537 -1.910 2.240) 2.992 11.549 ( 1.537 -8.470 2.126) 8.867 18.798 ( -0.617 2.258 0.256) 2.354 18.876 ( -0.187 -1.415 0.459) 1.500 19.180 ( 0.163 3.577 -0.141) 3.584 19.209 ( -1.567 7.830 1.245) 8.082 19.374 ( 0.458 -4.144 1.228) 4.346 19.493 ( 2.381 -5.308 4.076) 7.104 19.581 ( -0.216 2.769 -0.575) 2.836 19.751 ( -1.072 -2.579 -0.254) 2.805 19.817 ( -2.034 0.691 -2.103) 3.006 19.917 ( -2.562 -7.419 -9.273) 12.148 20.499 ( 0.403 4.822 2.125) 5.285 20.603 ( 0.231 -0.845 -0.295) 0.925 20.744 ( -0.045 1.187 0.159) 1.198 20.806 ( -0.071 -1.353 -0.284) 1.385 20.925 ( 0.573 3.391 0.985) 3.577 21.098 ( 2.283 -4.448 2.083) 5.416 ======================= Grid point 20 (13/65) ======================= q-point: ( 0.00 -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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 0.000 -10.345 0.000) 10.345 1.160 ( 0.000 10.345 0.000) 10.345 1.504 ( 0.000 -12.996 0.000) 12.996 1.504 ( 0.000 12.996 0.000) 12.996 2.054 ( 0.000 -2.985 0.000) 2.985 2.054 ( 0.000 2.985 0.000) 2.985 2.245 ( 0.000 -10.125 0.000) 10.125 2.245 ( 0.000 10.125 0.000) 10.125 2.365 ( 0.000 -5.668 0.000) 5.668 2.365 ( 0.000 5.668 0.000) 5.668 2.464 ( 0.000 -6.649 0.000) 6.649 2.464 ( 0.000 6.649 0.000) 6.649 2.636 ( 0.000 -1.848 0.000) 1.848 2.636 ( 0.000 1.848 0.000) 1.848 2.762 ( 0.000 -1.477 0.000) 1.477 2.762 ( 0.000 1.477 0.000) 1.477 2.871 ( 0.000 -5.347 0.000) 5.347 2.871 ( 0.000 5.347 0.000) 5.347 2.996 ( 0.000 -12.830 0.000) 12.830 2.996 ( 0.000 12.830 0.000) 12.830 3.026 ( 0.000 -4.181 0.000) 4.181 3.026 ( 0.000 4.181 0.000) 4.181 3.228 ( 0.000 -0.145 0.000) 0.145 3.228 ( 0.000 0.145 0.000) 0.145 3.367 ( 0.000 -6.177 0.000) 6.177 3.367 ( 0.000 6.177 0.000) 6.177 3.477 ( 0.000 -1.784 0.000) 1.784 3.477 ( 0.000 1.784 0.000) 1.784 3.535 ( 0.000 -12.588 0.000) 12.588 3.535 ( 0.000 12.588 0.000) 12.588 3.659 ( 0.000 -2.291 0.000) 2.291 3.659 ( 0.000 2.291 0.000) 2.291 3.792 ( 0.000 -7.876 0.000) 7.876 3.792 ( 0.000 7.876 0.000) 7.876 3.960 ( 0.000 -5.380 0.000) 5.380 3.960 ( 0.000 5.380 0.000) 5.380 3.990 ( 0.000 -0.437 0.000) 0.437 3.990 ( 0.000 0.437 0.000) 0.437 4.267 ( 0.000 -6.937 0.000) 6.937 4.267 ( 0.000 6.937 0.000) 6.937 4.305 ( 0.000 -3.871 0.000) 3.871 4.305 ( 0.000 3.871 0.000) 3.871 4.443 ( 0.000 -3.112 0.000) 3.112 4.443 ( 0.000 3.112 0.000) 3.112 4.478 ( 0.000 -3.983 0.000) 3.983 4.478 ( 0.000 3.983 0.000) 3.983 4.661 ( 0.000 -6.636 0.000) 6.636 4.661 ( 0.000 6.636 0.000) 6.636 4.857 ( 0.000 -4.642 0.000) 4.642 4.857 ( 0.000 4.642 0.000) 4.642 4.993 ( 0.000 -0.493 0.000) 0.493 4.993 ( 0.000 0.493 0.000) 0.493 5.133 ( 0.000 -3.575 0.000) 3.575 5.133 ( 0.000 3.575 0.000) 3.575 5.218 ( 0.000 -1.864 0.000) 1.864 5.218 ( 0.000 1.864 0.000) 1.864 5.306 ( 0.000 -3.138 0.000) 3.138 5.306 ( 0.000 3.138 0.000) 3.138 5.486 ( 0.000 -5.614 0.000) 5.614 5.486 ( 0.000 5.614 0.000) 5.614 5.566 ( 0.000 -5.254 0.000) 5.254 5.566 ( 0.000 5.254 0.000) 5.254 5.795 ( 0.000 -8.175 0.000) 8.175 5.795 ( 0.000 8.175 0.000) 8.175 5.830 ( 0.000 -5.507 0.000) 5.507 5.830 ( 0.000 5.507 0.000) 5.507 6.052 ( 0.000 -4.415 0.000) 4.415 6.052 ( 0.000 4.415 0.000) 4.415 6.544 ( 0.000 -5.164 0.000) 5.164 6.544 ( 0.000 5.164 0.000) 5.164 6.654 ( 0.000 -5.391 0.000) 5.391 6.654 ( 0.000 5.391 0.000) 5.391 8.307 ( 0.000 -0.820 0.000) 0.820 8.307 ( 0.000 0.820 0.000) 0.820 8.482 ( 0.000 -3.839 0.000) 3.839 8.482 ( 0.000 3.839 0.000) 3.839 9.252 ( 0.000 -0.564 0.000) 0.564 9.252 ( 0.000 0.564 0.000) 0.564 9.451 ( 0.000 -8.974 0.000) 8.974 9.451 ( 0.000 8.974 0.000) 8.974 9.803 ( 0.000 -0.596 0.000) 0.596 9.803 ( 0.000 0.596 0.000) 0.596 10.267 ( 0.000 -1.379 0.000) 1.379 10.267 ( 0.000 1.379 0.000) 1.379 11.059 ( 0.000 -3.005 0.000) 3.005 11.059 ( 0.000 3.005 0.000) 3.005 11.075 ( 0.000 -5.345 0.000) 5.345 11.075 ( 0.000 5.345 0.000) 5.345 11.242 ( 0.000 -8.930 0.000) 8.930 11.242 ( 0.000 8.930 0.000) 8.930 11.387 ( 0.000 -5.092 0.000) 5.092 11.387 ( 0.000 5.092 0.000) 5.092 18.856 ( 0.000 -1.792 0.000) 1.792 18.856 ( 0.000 1.792 0.000) 1.792 19.248 ( 0.000 -3.023 0.000) 3.023 19.248 ( 0.000 3.023 0.000) 3.023 19.336 ( 0.000 -0.464 0.000) 0.464 19.336 ( 0.000 0.464 0.000) 0.464 19.663 ( 0.000 -4.787 0.000) 4.787 19.663 ( 0.000 4.787 0.000) 4.787 20.090 ( 0.000 -2.613 0.000) 2.613 20.090 ( 0.000 2.613 0.000) 2.613 20.526 ( 0.000 -4.832 0.000) 4.832 20.526 ( 0.000 4.832 0.000) 4.832 20.779 ( 0.000 -1.965 0.000) 1.965 20.779 ( 0.000 1.965 0.000) 1.965 20.884 ( 0.000 -0.044 0.000) 0.044 20.884 ( 0.000 0.044 0.000) 0.044 ======================= Grid point 22 (14/65) ======================= q-point: ( 0.20 -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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 1.271 -8.075 -1.384) 8.291 1.172 ( 1.271 8.075 -1.384) 8.291 1.495 ( 1.676 -11.596 -3.906) 12.350 1.495 ( 1.676 11.596 -3.906) 12.350 2.013 ( -2.887 -1.772 -5.464) 6.429 2.013 ( -2.887 1.772 -5.464) 6.429 2.227 ( 0.389 -5.379 -0.502) 5.417 2.227 ( 0.389 5.379 -0.502) 5.417 2.286 ( -3.003 -0.276 -5.978) 6.695 2.286 ( -3.003 0.276 -5.978) 6.695 2.503 ( -0.874 -6.148 0.258) 6.215 2.503 ( -0.874 6.148 0.258) 6.215 2.637 ( -0.902 -1.353 3.651) 3.997 2.637 ( -0.902 1.353 3.651) 3.997 2.717 ( 0.552 -3.913 -2.162) 4.505 2.717 ( 0.552 3.913 -2.162) 4.505 2.896 ( 0.027 -7.670 5.430) 9.397 2.896 ( 0.027 7.670 5.430) 9.397 2.977 ( 0.819 -3.832 0.614) 3.966 2.977 ( 0.819 3.832 0.614) 3.966 3.143 ( 1.502 -7.589 3.849) 8.641 3.143 ( 1.502 7.589 3.849) 8.641 3.222 ( 0.768 -2.598 1.957) 3.342 3.222 ( 0.768 2.598 1.957) 3.342 3.408 ( -0.080 -5.355 1.967) 5.706 3.408 ( -0.080 5.355 1.967) 5.706 3.473 ( -1.823 -3.633 2.038) 4.547 3.473 ( -1.823 3.633 2.038) 4.547 3.565 ( 0.949 -6.593 -0.757) 6.704 3.565 ( 0.949 6.593 -0.757) 6.704 3.645 ( 3.871 -2.023 -0.768) 4.434 3.645 ( 3.871 2.023 -0.768) 4.434 3.759 ( -0.404 -1.766 -1.628) 2.436 3.759 ( -0.404 1.766 -1.628) 2.436 3.926 ( -3.743 -4.648 -1.112) 6.070 3.926 ( -3.743 4.648 -1.112) 6.070 3.982 ( 0.899 -5.522 -0.462) 5.614 3.982 ( 0.899 5.522 -0.462) 5.614 4.228 ( -4.549 -1.017 4.770) 6.670 4.228 ( -4.549 1.017 4.770) 6.670 4.301 ( -1.922 -3.323 0.547) 3.878 4.301 ( -1.922 3.323 0.547) 3.878 4.429 ( -0.714 -4.109 -2.604) 4.916 4.429 ( -0.714 4.109 -2.604) 4.916 4.498 ( 3.584 -5.975 -3.135) 7.641 4.498 ( 3.584 5.975 -3.135) 7.641 4.686 ( 2.233 -3.482 -0.697) 4.195 4.686 ( 2.233 3.482 -0.697) 4.195 4.847 ( -0.923 -7.258 1.328) 7.436 4.847 ( -0.923 7.258 1.328) 7.436 5.043 ( 3.803 -0.759 -0.104) 3.879 5.043 ( 3.803 0.759 -0.104) 3.879 5.156 ( 1.774 -6.414 -0.269) 6.660 5.156 ( 1.774 6.414 -0.269) 6.660 5.190 ( -2.501 -5.274 1.488) 6.024 5.190 ( -2.501 5.274 1.488) 6.024 5.331 ( 1.596 -2.986 0.368) 3.405 5.331 ( 1.596 2.986 0.368) 3.405 5.484 ( -3.428 -2.118 -1.109) 4.180 5.484 ( -3.428 2.118 -1.109) 4.180 5.539 ( 0.629 -4.318 1.867) 4.746 5.539 ( 0.629 4.318 1.867) 4.746 5.701 ( -5.033 -7.470 -1.496) 9.130 5.701 ( -5.033 7.470 -1.496) 9.130 5.892 ( 1.985 -4.140 -0.407) 4.609 5.892 ( 1.985 4.140 -0.407) 4.610 6.051 ( 1.080 -3.071 -1.439) 3.560 6.051 ( 1.080 3.071 -1.439) 3.560 6.548 ( 0.531 -4.932 -0.045) 4.961 6.548 ( 0.531 4.932 -0.045) 4.961 6.649 ( -0.454 -4.893 -0.083) 4.915 6.649 ( -0.454 4.893 -0.083) 4.915 8.309 ( 0.302 -1.450 0.289) 1.509 8.309 ( 0.302 1.450 0.289) 1.509 8.476 ( -0.465 -3.931 -0.714) 4.022 8.476 ( -0.465 3.931 -0.714) 4.022 9.256 ( 0.523 -1.101 -0.572) 1.346 9.256 ( 0.523 1.101 -0.572) 1.346 9.461 ( 0.509 -7.407 1.058) 7.499 9.461 ( 0.509 7.407 1.058) 7.499 9.835 ( 3.378 -1.240 -1.438) 3.875 9.835 ( 3.378 1.240 -1.438) 3.875 10.299 ( 1.541 -1.823 5.261) 5.777 10.299 ( 1.541 1.823 5.261) 5.777 10.934 ( -7.866 -2.030 -6.911) 10.666 10.934 ( -7.866 2.030 -6.911) 10.666 11.040 ( -1.570 -1.671 -2.693) 3.537 11.040 ( -1.570 1.671 -2.693) 3.537 11.302 ( 2.235 -9.675 4.165) 10.768 11.302 ( 2.235 9.675 4.165) 10.768 11.422 ( 1.938 -2.695 2.299) 4.038 11.422 ( 1.938 2.695 2.299) 4.038 18.851 ( -0.731 -1.864 0.535) 2.073 18.851 ( -0.731 1.864 0.535) 2.073 19.253 ( -0.233 -3.308 1.904) 3.824 19.253 ( -0.233 3.308 1.904) 3.824 19.351 ( 0.659 -2.497 1.775) 3.134 19.351 ( 0.659 2.497 1.775) 3.134 19.653 ( -0.852 -4.570 0.631) 4.692 19.653 ( -0.852 4.570 0.631) 4.692 19.991 ( -4.270 -2.980 -10.370) 11.604 19.991 ( -4.270 2.980 -10.370) 11.604 20.551 ( 0.756 -3.847 2.157) 4.475 20.551 ( 0.756 3.847 2.157) 4.475 20.777 ( -0.138 -1.961 -0.128) 1.970 20.777 ( -0.138 1.961 -0.128) 1.970 20.935 ( 3.073 -2.553 3.287) 5.173 20.935 ( 3.073 2.553 3.287) 5.173 ======================= Grid point 24 (15/65) ======================= q-point: ( 0.40 -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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 0.297 -5.647 -1.595) 5.875 1.173 ( 0.297 5.647 -1.595) 5.875 1.546 ( 4.442 -3.487 0.035) 5.648 1.546 ( 4.442 3.487 0.035) 5.648 1.856 ( -6.126 -2.589 -6.433) 9.253 1.856 ( -6.126 2.589 -6.433) 9.253 2.199 ( 0.026 -13.710 -1.878) 13.838 2.199 ( 0.026 13.710 -1.878) 13.838 2.329 ( 4.915 -2.401 3.538) 6.514 2.329 ( 4.915 2.401 3.538) 6.514 2.491 ( -0.261 -1.671 -3.198) 3.617 2.491 ( -0.261 1.671 -3.198) 3.617 2.543 ( -5.835 -6.291 0.655) 8.606 2.543 ( -5.835 6.291 0.655) 8.606 2.753 ( 1.435 -6.705 -0.238) 6.861 2.753 ( 1.435 6.705 -0.238) 6.861 2.979 ( 1.656 -2.474 4.534) 5.424 2.979 ( 1.656 2.474 4.534) 5.424 2.993 ( -0.260 -1.508 -0.534) 1.621 2.993 ( -0.260 1.508 -0.534) 1.621 3.120 ( -1.794 -8.952 3.130) 9.652 3.120 ( -1.794 8.952 3.130) 9.652 3.252 ( -0.110 -4.758 -1.800) 5.088 3.252 ( -0.110 4.758 -1.800) 5.088 3.360 ( -2.846 -2.871 2.977) 5.020 3.360 ( -2.846 2.871 2.977) 5.020 3.448 ( -0.985 -3.256 -0.320) 3.417 3.448 ( -0.985 3.256 -0.320) 3.417 3.586 ( 2.221 -1.644 -3.718) 4.632 3.586 ( 2.221 1.644 -3.718) 4.632 3.722 ( 1.209 -3.032 2.977) 4.418 3.722 ( 1.209 3.032 2.977) 4.418 3.782 ( -0.969 -5.333 -0.432) 5.437 3.782 ( -0.969 5.333 -0.432) 5.437 3.931 ( 6.256 -3.017 1.319) 7.070 3.931 ( 6.256 3.017 1.319) 7.070 3.996 ( 2.253 -1.408 -1.683) 3.145 3.996 ( 2.253 1.408 -1.683) 3.145 4.185 ( -6.304 -2.377 5.207) 8.514 4.185 ( -6.304 2.377 5.207) 8.514 4.239 ( -1.946 -3.121 -0.543) 3.717 4.239 ( -1.946 3.121 -0.543) 3.717 4.382 ( -1.197 -6.331 -3.331) 7.253 4.382 ( -1.197 6.331 -3.331) 7.253 4.530 ( 1.268 -4.147 -1.321) 4.533 4.530 ( 1.268 4.147 -1.321) 4.533 4.732 ( 2.568 -0.636 -1.050) 2.846 4.732 ( 2.568 0.636 -1.050) 2.846 4.858 ( 0.803 -6.534 1.356) 6.722 4.858 ( 0.803 6.534 1.356) 6.722 5.093 ( -0.909 -4.976 1.124) 5.181 5.093 ( -0.909 4.976 1.124) 5.181 5.143 ( 1.653 -1.541 -1.193) 2.555 5.143 ( 1.653 1.541 -1.193) 2.555 5.204 ( 1.459 -4.883 -0.952) 5.184 5.204 ( 1.459 4.883 -0.952) 5.184 5.294 ( -5.688 -3.463 1.264) 6.778 5.294 ( -5.688 3.463 1.264) 6.778 5.448 ( 1.577 -2.133 0.418) 2.686 5.448 ( 1.577 2.133 0.418) 2.686 5.581 ( 0.018 -1.615 0.787) 1.796 5.581 ( 0.018 1.615 0.787) 1.796 5.612 ( -1.810 -5.231 -1.174) 5.658 5.612 ( -1.810 5.231 -1.174) 5.658 5.894 ( -0.242 -0.779 -0.802) 1.144 5.894 ( -0.242 0.779 -0.802) 1.144 6.072 ( 1.146 -2.470 -0.451) 2.760 6.072 ( 1.146 2.470 -0.451) 2.760 6.562 ( 0.661 -4.729 -0.009) 4.775 6.562 ( 0.661 4.729 -0.009) 4.775 6.639 ( -0.429 -3.566 -0.035) 3.592 6.639 ( -0.429 3.566 -0.035) 3.592 8.324 ( 0.714 -2.479 0.250) 2.592 8.324 ( 0.714 2.479 0.250) 2.592 8.456 ( -0.790 -3.463 -0.504) 3.588 8.456 ( -0.790 3.463 -0.504) 3.588 9.261 ( 0.338 -0.665 -0.333) 0.817 9.261 ( 0.338 0.665 -0.333) 0.817 9.477 ( 0.264 -3.461 0.646) 3.531 9.477 ( 0.264 3.461 0.646) 3.531 9.882 ( 1.924 -1.516 -1.041) 2.662 9.882 ( 1.924 1.516 -1.041) 2.662 10.403 ( 3.830 -1.777 6.006) 7.342 10.403 ( 3.830 1.777 6.006) 7.342 10.726 ( -6.926 -4.006 -6.076) 10.047 10.726 ( -6.926 4.006 -6.076) 10.047 10.998 ( -0.763 -1.420 -1.375) 2.119 10.998 ( -0.763 1.420 -1.375) 2.119 11.356 ( 0.791 -10.166 1.815) 10.357 11.356 ( 0.791 10.166 1.815) 10.357 11.466 ( 0.912 -1.328 1.055) 1.926 11.466 ( 0.912 1.328 1.055) 1.926 18.840 ( -0.536 -2.143 0.311) 2.230 18.840 ( -0.536 2.143 0.311) 2.230 19.264 ( 0.027 -4.269 1.084) 4.404 19.264 ( 0.027 4.269 1.084) 4.404 19.374 ( 0.105 -6.430 1.515) 6.607 19.374 ( 0.105 6.430 1.515) 6.607 19.659 ( 0.402 -5.400 1.997) 5.772 19.659 ( 0.402 5.400 1.997) 5.772 19.843 ( -2.682 -1.936 -7.418) 8.122 19.843 ( -2.682 1.936 -7.418) 8.122 20.570 ( 0.138 -2.689 0.739) 2.792 20.570 ( 0.138 2.689 0.739) 2.792 20.774 ( -0.071 -1.805 -0.084) 1.809 20.774 ( -0.071 1.805 -0.084) 1.809 21.006 ( 1.557 -4.873 1.732) 5.401 21.006 ( 1.557 4.873 1.732) 5.401 ======================= Grid point 45 (16/65) ======================= 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.270 ( -5.791 0.000 16.861) 17.828 0.496 ( 2.511 0.000 24.219) 24.349 0.903 ( -0.987 0.000 42.373) 42.384 1.070 ( -1.646 0.000 3.553) 3.916 1.524 ( 1.732 0.000 11.791) 11.917 1.550 ( 1.091 0.000 -13.043) 13.089 1.662 ( 1.512 0.000 16.803) 16.871 1.951 ( 2.907 0.000 -0.485) 2.948 1.958 ( -0.032 0.000 -12.627) 12.628 2.088 ( 3.021 0.000 -13.175) 13.518 2.140 ( -4.623 0.000 0.956) 4.721 2.382 ( 17.510 0.000 -0.598) 17.521 2.518 ( -3.886 0.000 2.200) 4.466 2.571 ( -5.257 0.000 2.413) 5.784 2.627 ( -0.864 0.000 1.555) 1.779 2.727 ( -4.595 0.000 -1.748) 4.917 2.825 ( 8.909 0.000 -1.599) 9.051 2.877 ( 3.517 0.000 3.844) 5.210 2.948 ( -5.852 0.000 3.070) 6.608 2.958 ( -6.887 0.000 -1.411) 7.030 3.032 ( 2.892 0.000 5.495) 6.209 3.079 ( 0.715 0.000 -0.772) 1.052 3.133 ( -0.942 0.000 -3.664) 3.784 3.202 ( -1.549 0.000 5.732) 5.938 3.271 ( 0.642 0.000 -5.642) 5.678 3.377 ( 4.940 0.000 -4.643) 6.779 3.382 ( -6.889 0.000 0.220) 6.892 3.555 ( -2.030 0.000 -2.891) 3.533 3.585 ( -1.379 0.000 -1.340) 1.923 3.658 ( 1.137 0.000 -4.903) 5.033 3.741 ( 0.784 0.000 3.153) 3.249 3.822 ( 0.294 0.000 -4.871) 4.880 3.839 ( -9.386 0.000 3.231) 9.926 3.944 ( 7.998 0.000 -6.591) 10.364 3.992 ( -1.586 0.000 -4.452) 4.726 4.028 ( 0.021 0.000 -4.005) 4.005 4.042 ( -0.516 0.000 2.501) 2.554 4.099 ( 1.134 0.000 -2.290) 2.556 4.186 ( 2.255 0.000 -3.149) 3.873 4.280 ( -7.023 0.000 2.684) 7.519 4.282 ( 6.737 0.000 -8.235) 10.639 4.418 ( -0.779 0.000 -1.685) 1.856 4.471 ( -3.132 0.000 9.306) 9.819 4.509 ( -0.203 0.000 -7.009) 7.011 4.563 ( 6.563 0.000 1.623) 6.760 4.658 ( -6.126 0.000 1.080) 6.221 4.806 ( 2.198 0.000 4.593) 5.092 4.812 ( -0.124 0.000 -4.736) 4.738 4.873 ( 2.881 0.000 1.809) 3.401 4.937 ( -0.314 0.000 0.132) 0.341 4.985 ( -2.949 0.000 -1.455) 3.288 5.037 ( 11.255 0.000 3.120) 11.679 5.095 ( -0.517 0.000 -5.534) 5.558 5.206 ( 3.311 0.000 -0.312) 3.326 5.291 ( 1.516 0.000 0.795) 1.712 5.371 ( -5.228 0.000 2.876) 5.967 5.421 ( 1.393 0.000 0.444) 1.462 5.449 ( -0.011 0.000 -0.913) 0.913 5.511 ( 1.974 0.000 3.021) 3.609 5.619 ( -0.100 0.000 9.936) 9.936 5.660 ( -5.831 0.000 6.803) 8.960 5.718 ( -4.607 0.000 -0.600) 4.646 5.806 ( 2.643 0.000 -0.319) 2.662 5.956 ( 0.769 0.000 -1.541) 1.722 5.987 ( 0.370 0.000 -1.198) 1.254 6.043 ( 1.525 0.000 -0.891) 1.766 6.067 ( 0.503 0.000 1.047) 1.162 6.351 ( 7.685 0.000 -0.046) 7.685 6.374 ( -0.650 0.000 1.110) 1.286 6.553 ( -13.570 0.000 -4.610) 14.331 6.570 ( -0.982 0.000 1.735) 1.994 6.684 ( 0.902 0.000 -0.834) 1.228 8.281 ( -5.185 0.000 1.016) 5.283 8.383 ( 3.893 0.000 -1.182) 4.069 8.398 ( 0.811 0.000 4.679) 4.749 8.927 ( -0.548 0.000 -6.025) 6.050 9.286 ( 0.405 0.000 3.850) 3.871 9.529 ( -4.168 0.000 2.133) 4.682 9.545 ( -0.690 0.000 -2.234) 2.338 9.872 ( 0.100 0.000 -6.481) 6.482 9.984 ( -17.804 0.000 -0.433) 17.810 10.034 ( -4.852 0.000 1.647) 5.124 10.036 ( 2.004 0.000 -3.674) 4.185 10.246 ( -1.495 0.000 -3.081) 3.425 10.464 ( 1.208 0.000 1.333) 1.799 10.575 ( -1.033 0.000 -0.142) 1.043 10.589 ( -3.547 0.000 5.544) 6.582 10.927 ( 0.644 0.000 9.298) 9.320 10.976 ( 4.701 0.000 -2.394) 5.276 11.500 ( -0.302 0.000 -4.141) 4.152 11.655 ( 21.299 0.000 0.745) 21.312 11.724 ( -0.728 0.000 -0.771) 1.061 18.739 ( -0.133 0.000 1.266) 1.273 18.797 ( 0.898 0.000 -0.370) 0.971 18.974 ( -12.623 0.000 2.089) 12.795 19.239 ( 4.372 0.000 -2.705) 5.141 19.413 ( -1.277 0.000 2.747) 3.030 19.448 ( 0.491 0.000 1.317) 1.406 19.564 ( 0.124 0.000 -1.040) 1.047 19.756 ( 17.195 0.000 -2.560) 17.384 20.074 ( -3.342 0.000 2.821) 4.373 20.230 ( 6.186 0.000 -2.052) 6.517 20.466 ( -0.323 0.000 0.142) 0.353 20.510 ( -18.451 0.000 -0.604) 18.461 20.761 ( 0.479 0.000 0.233) 0.532 20.793 ( -1.290 0.000 -0.673) 1.455 20.956 ( -1.477 0.000 0.474) 1.551 21.036 ( 8.927 0.000 -1.369) 9.032 ======================= Grid point 46 (17/65) ======================= q-point: ( 0.20 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( 8.163 0.000 13.567) 15.833 0.857 ( 14.941 0.000 21.240) 25.969 1.081 ( -0.730 0.000 4.388) 4.449 1.392 ( 9.997 0.000 15.931) 18.808 1.555 ( 14.109 0.000 2.774) 14.379 1.691 ( 7.204 0.000 7.582) 10.459 1.788 ( -1.045 0.000 2.141) 2.383 1.920 ( -6.071 0.000 -3.722) 7.121 1.924 ( 4.270 0.000 -11.480) 12.248 2.059 ( 6.781 0.000 0.096) 6.782 2.088 ( -0.631 0.000 0.038) 0.633 2.413 ( -6.598 0.000 -2.749) 7.148 2.521 ( -2.445 0.000 3.998) 4.686 2.580 ( -5.415 0.000 1.702) 5.676 2.602 ( -3.484 0.000 -6.741) 7.588 2.688 ( -5.317 0.000 3.020) 6.115 2.769 ( 6.641 0.000 1.186) 6.746 2.823 ( -2.838 0.000 2.165) 3.570 2.947 ( 3.558 0.000 2.592) 4.402 2.988 ( 2.798 0.000 -3.366) 4.377 3.074 ( -5.052 0.000 -1.774) 5.354 3.117 ( 3.565 0.000 4.278) 5.569 3.175 ( 6.277 0.000 -0.471) 6.295 3.204 ( -4.765 0.000 -2.193) 5.246 3.290 ( 2.618 0.000 -3.248) 4.172 3.296 ( 3.791 0.000 0.914) 3.900 3.432 ( 3.520 0.000 -0.374) 3.540 3.485 ( -8.145 0.000 -7.364) 10.981 3.504 ( -3.937 0.000 0.157) 3.940 3.623 ( -2.278 0.000 -1.031) 2.501 3.640 ( -4.868 0.000 -3.683) 6.105 3.654 ( -11.085 0.000 2.871) 11.450 3.746 ( -0.828 0.000 -6.606) 6.658 3.948 ( -1.958 0.000 0.863) 2.139 4.041 ( 4.774 0.000 -2.381) 5.335 4.043 ( -0.527 0.000 -3.469) 3.508 4.063 ( 3.051 0.000 -9.852) 10.314 4.100 ( -1.365 0.000 2.005) 2.426 4.145 ( -4.296 0.000 -5.206) 6.750 4.183 ( 2.553 0.000 3.564) 4.385 4.297 ( -2.698 0.000 0.536) 2.750 4.418 ( -0.462 0.000 0.275) 0.538 4.446 ( -3.399 0.000 -3.315) 4.748 4.469 ( -0.847 0.000 11.206) 11.238 4.596 ( 5.172 0.000 0.202) 5.176 4.710 ( 5.223 0.000 -3.662) 6.379 4.798 ( 1.456 0.000 -0.643) 1.592 4.838 ( -1.261 0.000 1.260) 1.782 4.914 ( -1.050 0.000 -6.165) 6.253 4.944 ( 1.356 0.000 -0.235) 1.376 5.006 ( 5.572 0.000 4.670) 7.270 5.037 ( -1.479 0.000 -3.446) 3.750 5.158 ( 1.435 0.000 -0.550) 1.537 5.246 ( -8.390 0.000 8.686) 12.076 5.327 ( 6.764 0.000 -1.828) 7.007 5.328 ( -0.781 0.000 -3.538) 3.623 5.449 ( 2.164 0.000 -4.177) 4.704 5.460 ( -0.317 0.000 3.823) 3.837 5.527 ( -3.001 0.000 2.936) 4.198 5.589 ( -4.826 0.000 -4.857) 6.847 5.672 ( 0.286 0.000 4.212) 4.222 5.754 ( 8.728 0.000 6.905) 11.129 5.892 ( 2.881 0.000 5.759) 6.439 5.964 ( 0.972 0.000 -1.469) 1.762 5.986 ( 0.706 0.000 -1.397) 1.565 6.054 ( 0.379 0.000 -1.325) 1.378 6.064 ( -2.104 0.000 1.849) 2.801 6.254 ( -11.930 0.000 0.258) 11.933 6.404 ( 1.854 0.000 1.754) 2.552 6.445 ( 2.734 0.000 -1.895) 3.326 6.562 ( -1.058 0.000 1.769) 2.061 6.692 ( 0.327 0.000 -0.756) 0.824 8.243 ( -0.597 0.000 -0.098) 0.605 8.450 ( -0.094 0.000 6.171) 6.171 8.515 ( 9.352 0.000 1.979) 9.559 8.836 ( -3.198 0.000 -8.969) 9.522 9.327 ( -0.079 0.000 5.002) 5.002 9.488 ( -1.575 0.000 2.489) 2.945 9.520 ( 0.581 0.000 -3.087) 3.141 9.777 ( -3.397 0.000 -5.674) 6.613 9.818 ( -0.628 0.000 -1.071) 1.241 10.089 ( 1.598 0.000 4.574) 4.845 10.101 ( 4.307 0.000 2.191) 4.832 10.184 ( -1.638 0.000 -4.767) 5.040 10.504 ( 1.293 0.000 2.889) 3.165 10.552 ( -4.059 0.000 4.851) 6.325 10.566 ( 1.232 0.000 -2.240) 2.556 10.908 ( -3.534 0.000 1.929) 4.026 11.167 ( 8.983 0.000 5.364) 10.463 11.454 ( -0.490 0.000 -6.656) 6.674 11.662 ( -4.308 0.000 -2.752) 5.112 11.757 ( -1.947 0.000 -0.871) 2.133 18.733 ( -0.942 0.000 0.575) 1.103 18.808 ( 0.439 0.000 -0.363) 0.570 18.892 ( -1.462 0.000 4.430) 4.665 19.327 ( 4.776 0.000 -1.639) 5.049 19.399 ( 0.271 0.000 -0.214) 0.345 19.468 ( 0.504 0.000 1.827) 1.895 19.600 ( 2.526 0.000 2.190) 3.343 19.725 ( -6.182 0.000 -5.318) 8.155 19.963 ( -8.360 0.000 0.387) 8.369 20.331 ( -4.562 0.000 2.181) 5.057 20.414 ( 9.459 0.000 -0.657) 9.482 20.489 ( 1.442 0.000 1.577) 2.137 20.780 ( 0.284 0.000 -1.591) 1.616 20.786 ( 1.573 0.000 1.181) 1.967 20.918 ( -2.268 0.000 -0.678) 2.367 21.114 ( 2.235 0.000 -3.086) 3.810 ======================= Grid point 47 (18/65) ======================= q-point: ( 0.40 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 2.577 0.000 11.197) 11.490 1.082 ( -2.118 0.000 2.285) 3.116 1.243 ( -5.266 0.000 9.943) 11.251 1.345 ( 3.016 0.000 2.908) 4.190 1.713 ( 6.003 0.000 -11.840) 13.275 1.778 ( -3.035 0.000 -3.045) 4.299 1.790 ( -5.861 0.000 2.923) 6.549 1.951 ( 11.565 0.000 -17.130) 20.668 2.026 ( 6.497 0.000 -0.058) 6.497 2.125 ( 3.973 0.000 3.386) 5.220 2.220 ( -10.423 0.000 -3.054) 10.862 2.328 ( 19.283 0.000 9.668) 21.571 2.409 ( -11.428 0.000 2.293) 11.656 2.489 ( -10.431 0.000 7.453) 12.820 2.522 ( -2.769 0.000 -4.519) 5.300 2.577 ( 3.389 0.000 -0.887) 3.503 2.751 ( -7.123 0.000 -0.929) 7.183 2.916 ( -2.904 0.000 -0.801) 3.013 2.939 ( 1.016 0.000 6.433) 6.513 3.005 ( 1.686 0.000 6.391) 6.609 3.098 ( 7.872 0.000 1.009) 7.937 3.100 ( -3.853 0.000 2.750) 4.734 3.143 ( -6.027 0.000 -0.046) 6.027 3.236 ( 1.284 0.000 -4.124) 4.320 3.330 ( 3.565 0.000 -3.965) 5.331 3.336 ( -3.411 0.000 0.337) 3.428 3.396 ( 5.886 0.000 -5.898) 8.332 3.420 ( 3.752 0.000 -4.722) 6.031 3.459 ( -5.438 0.000 0.851) 5.505 3.540 ( -2.602 0.000 -3.307) 4.208 3.587 ( 4.513 0.000 4.589) 6.436 3.630 ( 0.949 0.000 -2.151) 2.351 3.688 ( 2.441 0.000 -12.639) 12.872 3.905 ( -1.870 0.000 2.890) 3.442 3.910 ( -6.600 0.000 -0.274) 6.606 3.982 ( -1.709 0.000 -5.212) 5.485 4.050 ( -2.446 0.000 5.085) 5.643 4.127 ( 2.344 0.000 -6.251) 6.676 4.136 ( 2.052 0.000 5.188) 5.579 4.222 ( -3.137 0.000 0.629) 3.199 4.354 ( 6.339 0.000 5.877) 8.645 4.391 ( -2.990 0.000 2.205) 3.715 4.416 ( 1.681 0.000 -0.965) 1.938 4.561 ( 2.341 0.000 6.803) 7.194 4.724 ( 4.975 0.000 -1.045) 5.084 4.730 ( 0.578 0.000 -4.965) 4.999 4.802 ( -1.790 0.000 -1.689) 2.461 4.815 ( 0.535 0.000 -5.955) 5.979 4.884 ( 3.315 0.000 -3.454) 4.788 4.969 ( 0.437 0.000 1.814) 1.866 4.996 ( -0.260 0.000 -1.411) 1.434 5.117 ( -0.799 0.000 8.846) 8.882 5.150 ( -1.535 0.000 0.412) 1.589 5.162 ( -7.351 0.000 -7.130) 10.241 5.216 ( -0.894 0.000 1.640) 1.868 5.396 ( 1.862 0.000 -1.248) 2.242 5.448 ( 2.186 0.000 -3.503) 4.129 5.462 ( -3.827 0.000 7.328) 8.267 5.508 ( -0.218 0.000 0.554) 0.595 5.530 ( 0.513 0.000 -0.042) 0.515 5.717 ( 1.876 0.000 0.230) 1.890 5.938 ( 2.992 0.000 -0.987) 3.151 5.949 ( 0.397 0.000 -3.696) 3.718 5.954 ( -1.171 0.000 4.048) 4.214 6.001 ( 1.491 0.000 -1.342) 2.006 6.016 ( -3.455 0.000 2.196) 4.093 6.035 ( -0.331 0.000 -1.685) 1.717 6.116 ( -2.022 0.000 1.438) 2.481 6.444 ( 0.674 0.000 1.556) 1.696 6.473 ( 1.033 0.000 1.559) 1.870 6.558 ( -0.926 0.000 2.038) 2.238 6.690 ( 0.303 0.000 -1.085) 1.126 8.244 ( 0.376 0.000 1.153) 1.213 8.475 ( -2.651 0.000 7.361) 7.824 8.647 ( -3.809 0.000 -7.126) 8.080 8.763 ( 8.211 0.000 0.591) 8.232 9.335 ( -2.968 0.000 4.308) 5.231 9.504 ( 1.363 0.000 1.862) 2.308 9.539 ( 3.679 0.000 -1.499) 3.972 9.701 ( -1.004 0.000 -2.509) 2.703 9.833 ( 3.107 0.000 -2.959) 4.290 10.099 ( -1.990 0.000 -5.134) 5.506 10.160 ( 1.394 0.000 7.382) 7.513 10.213 ( 3.282 0.000 3.715) 4.957 10.516 ( -3.208 0.000 5.242) 6.146 10.559 ( 0.983 0.000 5.215) 5.306 10.590 ( 3.169 0.000 -2.692) 4.158 10.841 ( -4.417 0.000 1.278) 4.599 11.314 ( 0.921 0.000 0.375) 0.995 11.377 ( -0.766 0.000 -10.661) 10.688 11.561 ( -0.887 0.000 -2.780) 2.919 11.694 ( -3.491 0.000 -0.621) 3.546 18.721 ( -0.350 0.000 -0.156) 0.383 18.806 ( -0.087 0.000 -1.075) 1.078 18.924 ( 0.547 0.000 5.420) 5.448 19.322 ( -2.231 0.000 -0.611) 2.313 19.447 ( 3.505 0.000 -6.300) 7.210 19.489 ( 0.114 0.000 1.522) 1.526 19.583 ( -4.379 0.000 -5.105) 6.725 19.692 ( 5.337 0.000 3.286) 6.267 19.814 ( -7.192 0.000 2.995) 7.791 20.283 ( -1.558 0.000 -1.114) 1.915 20.523 ( 0.156 0.000 2.589) 2.593 20.555 ( 4.808 0.000 3.127) 5.736 20.774 ( 0.575 0.000 -2.294) 2.365 20.821 ( -0.440 0.000 1.213) 1.291 20.884 ( 0.586 0.000 0.054) 0.589 21.115 ( 0.551 0.000 -2.532) 2.591 ======================= Grid point 48 (19/65) ======================= q-point: (-0.40 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( -10.459 0.000 10.600) 14.891 0.854 ( -23.190 0.000 -2.748) 23.352 1.058 ( -0.083 0.000 -0.352) 0.362 1.543 ( -12.059 0.000 4.043) 12.719 1.608 ( -1.693 0.000 6.896) 7.101 1.612 ( -11.581 0.000 2.861) 11.929 1.845 ( 6.533 0.000 -3.884) 7.600 1.894 ( -23.101 0.000 -2.064) 23.193 2.010 ( 10.591 0.000 -20.451) 23.031 2.017 ( 2.445 0.000 -11.699) 11.952 2.221 ( -5.281 0.000 7.857) 9.466 2.261 ( 2.258 0.000 3.325) 4.020 2.348 ( 7.695 0.000 -3.667) 8.524 2.482 ( 0.252 0.000 2.280) 2.293 2.580 ( -1.860 0.000 7.508) 7.734 2.653 ( -1.158 0.000 6.361) 6.466 2.828 ( -7.390 0.000 -8.424) 11.206 2.831 ( -1.473 0.000 -4.920) 5.136 2.989 ( 13.333 0.000 4.078) 13.943 3.007 ( -3.438 0.000 -1.864) 3.911 3.148 ( 7.067 0.000 3.897) 8.070 3.155 ( -7.766 0.000 0.034) 7.766 3.167 ( 3.641 0.000 7.149) 8.023 3.248 ( 3.406 0.000 -2.261) 4.088 3.285 ( 4.852 0.000 1.931) 5.222 3.373 ( -5.987 0.000 3.005) 6.699 3.376 ( 4.321 0.000 -6.103) 7.478 3.429 ( -4.477 0.000 0.402) 4.495 3.452 ( 8.073 0.000 -3.818) 8.930 3.521 ( 1.330 0.000 3.217) 3.481 3.611 ( -0.430 0.000 -4.501) 4.521 3.698 ( 6.915 0.000 -2.755) 7.443 3.727 ( 10.531 0.000 -6.532) 12.393 3.862 ( -1.249 0.000 0.012) 1.249 3.941 ( 2.730 0.000 -1.172) 2.971 3.995 ( 5.670 0.000 1.052) 5.767 4.081 ( -2.047 0.000 10.178) 10.382 4.099 ( -0.572 0.000 -3.729) 3.773 4.146 ( -1.639 0.000 -1.423) 2.171 4.230 ( 1.910 0.000 0.815) 2.077 4.327 ( -4.490 0.000 4.463) 6.331 4.484 ( 4.648 0.000 1.848) 5.002 4.493 ( 4.372 0.000 0.832) 4.450 4.610 ( -1.101 0.000 -1.503) 1.863 4.676 ( -2.663 0.000 -2.898) 3.935 4.726 ( -3.482 0.000 -2.340) 4.195 4.756 ( -0.481 0.000 -6.730) 6.747 4.766 ( 0.255 0.000 -3.008) 3.019 4.911 ( 2.616 0.000 -5.862) 6.419 4.914 ( -6.714 0.000 -5.440) 8.641 4.987 ( -1.281 0.000 2.503) 2.812 5.021 ( 0.632 0.000 4.466) 4.510 5.134 ( -0.416 0.000 1.732) 1.781 5.183 ( 0.113 0.000 12.352) 12.352 5.286 ( 4.542 0.000 -2.499) 5.184 5.351 ( -4.752 0.000 -1.910) 5.122 5.442 ( -0.482 0.000 -3.777) 3.808 5.485 ( 1.128 0.000 4.029) 4.184 5.502 ( -0.729 0.000 -0.283) 0.782 5.598 ( 3.419 0.000 3.112) 4.623 5.725 ( -0.381 0.000 -1.135) 1.197 5.812 ( -7.587 0.000 -0.662) 7.615 5.891 ( -6.468 0.000 3.994) 7.602 5.984 ( 1.265 0.000 -1.641) 2.072 5.988 ( 0.351 0.000 -0.985) 1.045 6.015 ( -0.015 0.000 -3.208) 3.208 6.029 ( 0.731 0.000 -0.036) 0.732 6.148 ( 1.450 0.000 1.340) 1.974 6.447 ( -1.644 0.000 1.556) 2.264 6.527 ( 3.417 0.000 1.636) 3.789 6.559 ( -0.475 0.000 1.954) 2.011 6.692 ( 0.797 0.000 -0.828) 1.149 8.276 ( 1.404 0.000 2.816) 3.147 8.461 ( -4.811 0.000 7.837) 9.196 8.484 ( -4.971 0.000 -7.074) 8.646 8.912 ( 4.972 0.000 -0.193) 4.976 9.297 ( -3.249 0.000 2.824) 4.305 9.546 ( 0.814 0.000 2.339) 2.476 9.592 ( 0.108 0.000 0.208) 0.234 9.743 ( 7.998 0.000 -1.893) 8.219 9.882 ( 3.891 0.000 -2.058) 4.402 10.032 ( -0.490 0.000 -4.730) 4.756 10.269 ( 3.864 0.000 9.318) 10.088 10.277 ( 0.735 0.000 2.458) 2.566 10.516 ( -2.020 0.000 9.066) 9.288 10.623 ( 0.115 0.000 9.382) 9.382 10.626 ( 0.664 0.000 -0.140) 0.679 10.783 ( -1.360 0.000 0.686) 1.523 11.188 ( -7.812 0.000 -6.154) 9.945 11.246 ( -2.396 0.000 -19.344) 19.492 11.618 ( -3.469 0.000 -1.813) 3.914 11.623 ( 5.124 0.000 0.459) 5.144 18.718 ( 0.109 0.000 0.041) 0.116 18.793 ( -0.041 0.000 -1.507) 1.508 18.998 ( 2.085 0.000 9.132) 9.367 19.265 ( -1.968 0.000 -3.290) 3.833 19.423 ( -0.435 0.000 -3.520) 3.547 19.470 ( -2.557 0.000 -8.452) 8.830 19.488 ( -1.969 0.000 2.002) 2.808 19.693 ( -3.811 0.000 -1.794) 4.213 19.881 ( 6.170 0.000 7.902) 10.025 20.248 ( -0.462 0.000 -2.947) 2.983 20.527 ( -1.714 0.000 2.292) 2.862 20.659 ( 2.643 0.000 6.819) 7.313 20.767 ( 0.885 0.000 -3.148) 3.270 20.789 ( -1.780 0.000 -0.537) 1.860 20.931 ( 1.779 0.000 2.282) 2.894 21.098 ( -0.201 0.000 -3.957) 3.962 ======================= Grid point 49 (20/65) ======================= q-point: (-0.20 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( -17.432 0.000 12.204) 21.280 0.462 ( -18.454 0.000 8.706) 20.405 1.073 ( 0.006 0.000 1.754) 1.754 1.076 ( -37.074 0.000 25.745) 45.136 1.478 ( -6.371 0.000 10.038) 11.889 1.598 ( -6.145 0.000 8.843) 10.768 1.638 ( -0.404 0.000 -10.990) 10.998 1.894 ( 1.580 0.000 2.032) 2.574 2.048 ( 10.045 0.000 -14.938) 18.001 2.077 ( 6.028 0.000 -14.192) 15.419 2.164 ( 0.588 0.000 0.130) 0.602 2.256 ( -7.009 0.000 -6.210) 9.364 2.487 ( 7.531 0.000 12.233) 14.366 2.579 ( -1.566 0.000 3.807) 4.117 2.609 ( 0.493 0.000 3.185) 3.223 2.682 ( 8.955 0.000 6.012) 10.786 2.724 ( -1.523 0.000 -5.664) 5.865 2.795 ( 2.903 0.000 -5.124) 5.889 2.937 ( -2.807 0.000 5.760) 6.408 3.039 ( -3.046 0.000 -0.970) 3.196 3.067 ( -5.061 0.000 0.170) 5.064 3.180 ( -1.255 0.000 -2.973) 3.227 3.189 ( -8.098 0.000 1.058) 8.166 3.294 ( -8.419 0.000 4.520) 9.555 3.300 ( 4.888 0.000 -2.939) 5.704 3.327 ( 3.067 0.000 -4.874) 5.759 3.410 ( 3.254 0.000 -3.467) 4.755 3.482 ( 10.155 0.000 -0.758) 10.183 3.580 ( 1.283 0.000 -2.307) 2.640 3.644 ( 10.725 0.000 2.581) 11.031 3.688 ( 5.230 0.000 -1.465) 5.431 3.750 ( -1.668 0.000 2.188) 2.751 3.820 ( 3.281 0.000 -0.272) 3.292 3.903 ( 3.733 0.000 4.256) 5.661 4.026 ( 4.268 0.000 -5.271) 6.782 4.032 ( -1.754 0.000 2.228) 2.835 4.079 ( -3.030 0.000 -3.464) 4.602 4.086 ( 1.339 0.000 0.253) 1.363 4.152 ( 9.781 0.000 -9.907) 13.922 4.224 ( -0.135 0.000 -6.010) 6.012 4.336 ( 0.030 0.000 10.774) 10.774 4.461 ( -8.148 0.000 -9.050) 12.178 4.529 ( -4.637 0.000 2.319) 5.184 4.594 ( -0.856 0.000 -0.288) 0.903 4.612 ( 2.147 0.000 -1.948) 2.898 4.615 ( -2.310 0.000 -1.262) 2.632 4.729 ( 4.094 0.000 -1.603) 4.397 4.772 ( 0.899 0.000 1.337) 1.611 4.854 ( -1.316 0.000 3.662) 3.891 4.912 ( 2.851 0.000 -7.187) 7.732 4.969 ( -1.476 0.000 -1.703) 2.254 5.041 ( -2.856 0.000 5.036) 5.790 5.148 ( 0.141 0.000 -0.941) 0.952 5.224 ( -4.617 0.000 -3.347) 5.703 5.267 ( -0.134 0.000 2.963) 2.966 5.346 ( 3.339 0.000 2.233) 4.016 5.423 ( -0.651 0.000 3.955) 4.008 5.475 ( -0.974 0.000 -2.238) 2.440 5.507 ( -1.562 0.000 0.728) 1.723 5.584 ( -4.427 0.000 3.583) 5.695 5.717 ( -4.297 0.000 6.454) 7.753 5.762 ( 3.760 0.000 -1.650) 4.106 5.808 ( -5.378 0.000 2.724) 6.028 5.967 ( -0.314 0.000 -2.864) 2.881 5.987 ( 0.407 0.000 -1.039) 1.116 6.018 ( 1.749 0.000 -1.497) 2.302 6.044 ( 1.221 0.000 -0.380) 1.279 6.194 ( 3.417 0.000 4.040) 5.291 6.409 ( -3.171 0.000 1.442) 3.484 6.568 ( -0.278 0.000 1.898) 1.918 6.609 ( 4.467 0.000 -1.647) 4.761 6.708 ( 0.890 0.000 -0.830) 1.217 8.333 ( 1.197 0.000 4.403) 4.563 8.380 ( -1.305 0.000 -3.970) 4.179 8.408 ( -6.205 0.000 5.170) 8.077 8.954 ( 1.386 0.000 -3.354) 3.629 9.270 ( -1.443 0.000 2.571) 2.948 9.563 ( -0.758 0.000 1.664) 1.829 9.573 ( -1.020 0.000 -0.903) 1.362 9.863 ( 4.835 0.000 -4.380) 6.524 9.948 ( 3.788 0.000 -0.140) 3.791 10.030 ( 3.307 0.000 -4.633) 5.692 10.282 ( -0.736 0.000 -0.542) 0.914 10.404 ( 3.862 0.000 0.049) 3.862 10.579 ( -0.678 0.000 7.263) 7.294 10.603 ( -2.540 0.000 1.550) 2.976 10.714 ( -9.482 0.000 -7.502) 12.091 10.815 ( 2.313 0.000 4.020) 4.638 11.016 ( 5.905 0.000 8.673) 10.492 11.022 ( -4.093 0.000 -4.697) 6.230 11.546 ( -2.095 0.000 -2.300) 3.111 11.705 ( 2.831 0.000 0.100) 2.833 18.726 ( 0.328 0.000 0.815) 0.879 18.787 ( 0.544 0.000 -1.116) 1.242 19.206 ( 11.628 0.000 15.085) 19.047 19.218 ( 0.417 0.000 -3.670) 3.693 19.295 ( -8.501 0.000 -9.302) 12.602 19.407 ( -0.110 0.000 0.595) 0.605 19.470 ( -1.309 0.000 3.280) 3.532 19.610 ( -3.310 0.000 -1.436) 3.608 20.034 ( 3.729 0.000 5.333) 6.507 20.222 ( 0.467 0.000 -4.004) 4.031 20.496 ( -2.536 0.000 0.923) 2.698 20.745 ( -0.111 0.000 -2.848) 2.850 20.763 ( -0.592 0.000 -0.340) 0.683 20.791 ( 4.763 0.000 5.901) 7.584 20.963 ( -0.042 0.000 1.631) 1.631 21.006 ( -5.847 0.000 -8.638) 10.430 ======================= Grid point 50 (21/65) ======================= q-point: ( 0.00 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 3.848 13.620 17.874) 22.798 0.761 ( 0.154 21.140 16.072) 26.556 0.992 ( -4.631 21.152 17.260) 27.690 1.359 ( -4.018 19.143 7.029) 20.785 1.635 ( 2.041 9.697 11.164) 14.928 1.693 ( 0.145 8.613 -9.551) 12.862 1.723 ( 0.734 12.130 9.226) 15.258 1.952 ( 0.434 1.930 -10.153) 10.344 2.034 ( 2.520 -1.043 -2.375) 3.617 2.060 ( 2.657 4.470 -9.228) 10.592 2.169 ( -4.831 2.931 -0.107) 5.652 2.411 ( 12.735 2.541 0.475) 12.994 2.481 ( -2.358 -2.395 0.210) 3.368 2.548 ( -2.017 -0.312 1.655) 2.627 2.634 ( -2.372 0.932 -0.098) 2.551 2.753 ( -0.821 1.334 0.448) 1.629 2.816 ( -1.462 -4.605 -0.002) 4.832 2.863 ( 4.496 0.380 1.536) 4.767 2.968 ( -6.936 1.263 -0.326) 7.058 2.978 ( 3.019 3.357 0.264) 4.523 3.037 ( -1.321 -0.407 -1.239) 1.857 3.117 ( -0.612 2.962 2.453) 3.895 3.144 ( 3.851 1.652 -0.946) 4.296 3.208 ( 0.062 -1.190 1.015) 1.565 3.232 ( 0.065 -0.217 -0.936) 0.963 3.357 ( -2.282 -1.553 -0.188) 2.766 3.454 ( 1.033 4.617 -4.351) 6.427 3.526 ( -3.111 -2.616 -2.341) 4.691 3.583 ( -4.584 -5.402 -3.112) 7.738 3.674 ( 4.304 -0.810 -0.147) 4.382 3.697 ( 1.399 2.426 -2.138) 3.523 3.778 ( 0.285 -2.738 -0.813) 2.870 3.815 ( 3.328 -2.699 -0.946) 4.388 3.948 ( -1.890 -0.831 -2.574) 3.300 3.957 ( 2.689 0.433 -3.605) 4.519 4.015 ( -0.193 -0.977 1.106) 1.489 4.101 ( -2.647 -0.216 1.367) 2.987 4.123 ( -0.483 -2.161 3.364) 4.027 4.166 ( 1.844 3.619 -10.572) 11.326 4.249 ( -5.933 -3.174 1.718) 6.944 4.309 ( 4.176 2.445 -6.417) 8.037 4.401 ( -2.908 -2.850 -0.571) 4.111 4.435 ( 1.265 -1.717 -3.875) 4.423 4.512 ( -6.850 0.131 2.689) 7.360 4.562 ( 9.487 -1.233 1.670) 9.711 4.684 ( -5.931 1.996 0.030) 6.258 4.725 ( 0.833 -4.875 -0.754) 5.003 4.842 ( 3.539 3.725 1.321) 5.305 4.885 ( 2.506 -3.453 -3.757) 5.685 4.931 ( 2.974 1.096 -1.710) 3.602 4.999 ( -1.208 -3.605 3.670) 5.285 5.029 ( 2.431 0.803 -2.979) 3.929 5.081 ( -0.233 0.528 0.296) 0.649 5.119 ( -0.448 -6.980 -2.093) 7.301 5.256 ( 4.165 -7.747 -3.322) 9.402 5.288 ( -0.131 -5.772 2.170) 6.168 5.372 ( -3.162 0.077 3.750) 4.905 5.442 ( 3.197 -3.717 -1.023) 5.008 5.512 ( -5.876 -6.960 14.138) 16.818 5.522 ( -1.997 2.704 3.462) 4.825 5.590 ( -1.165 -6.410 10.040) 11.969 5.724 ( -1.023 1.567 5.925) 6.214 5.765 ( 0.381 -2.337 -3.274) 4.041 5.939 ( 1.068 -6.262 -0.270) 6.358 5.973 ( -1.011 0.539 -0.255) 1.174 6.043 ( 0.751 -1.645 2.188) 2.838 6.096 ( 2.024 5.683 1.000) 6.115 6.181 ( -2.484 1.476 0.835) 3.008 6.384 ( -1.680 -0.008 2.336) 2.878 6.623 ( 4.708 5.379 -1.738) 7.357 6.689 ( 0.715 0.306 -0.943) 1.222 6.767 ( -5.418 1.143 -9.090) 10.644 8.270 ( -2.368 -0.426 0.498) 2.457 8.368 ( 2.592 -1.143 0.147) 2.836 8.407 ( 1.306 0.528 2.480) 2.853 8.854 ( -0.168 -7.123 -5.190) 8.815 9.231 ( 0.461 -2.499 1.116) 2.776 9.416 ( -1.815 -7.672 0.654) 7.911 9.490 ( -1.882 -6.498 0.092) 6.765 9.817 ( -0.002 -4.593 -6.165) 7.688 9.898 ( -11.056 -4.189 2.871) 12.167 9.952 ( 0.818 -3.731 -0.749) 3.892 10.130 ( 3.164 5.690 0.873) 6.569 10.459 ( -2.590 6.591 -3.801) 8.037 10.564 ( -0.397 8.494 1.421) 8.621 10.608 ( -4.261 9.600 -0.559) 10.518 10.764 ( -2.912 10.657 0.382) 11.054 10.903 ( -1.332 -0.102 3.089) 3.365 10.973 ( 5.637 0.892 1.116) 5.815 11.446 ( 0.626 -5.284 -2.822) 6.023 11.580 ( 12.444 -4.166 6.578) 14.679 11.709 ( -0.165 -1.930 -0.311) 1.962 18.752 ( -0.122 1.500 1.413) 2.064 18.849 ( 1.335 2.972 -1.023) 3.415 19.022 ( -4.914 3.149 -2.334) 6.285 19.288 ( -1.406 3.694 -2.188) 4.517 19.376 ( 0.290 -2.761 4.239) 5.068 19.449 ( 1.234 -0.054 1.174) 1.704 19.529 ( -0.266 -1.969 -0.545) 2.060 19.770 ( 11.198 1.081 -5.582) 12.559 20.041 ( -3.593 -3.103 1.042) 4.860 20.226 ( 1.312 -1.129 -3.296) 3.723 20.407 ( -4.241 -2.452 1.873) 5.245 20.562 ( -7.166 2.252 -2.245) 7.840 20.761 ( -1.446 0.120 0.627) 1.581 20.793 ( -0.184 0.117 -0.459) 0.508 20.948 ( -0.573 -0.748 0.985) 1.363 20.986 ( 8.204 -2.728 4.833) 9.905 ======================= Grid point 51 (22/65) ======================= q-point: ( 0.20 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 3.997 19.660 11.127) 22.942 0.961 ( 10.058 15.549 16.349) 24.703 1.244 ( 6.308 13.566 6.343) 16.250 1.432 ( 3.455 4.713 14.372) 15.514 1.617 ( 4.738 8.304 -5.142) 10.855 1.769 ( 2.216 0.112 3.909) 4.495 1.881 ( 5.637 7.155 -10.962) 14.253 1.890 ( 4.807 3.931 6.299) 8.846 2.012 ( -3.913 5.201 -0.259) 6.514 2.063 ( 3.644 1.474 -5.415) 6.691 2.108 ( 0.481 3.604 -1.192) 3.826 2.412 ( -4.427 -1.503 -1.019) 4.785 2.465 ( -5.676 -0.982 1.906) 6.067 2.555 ( -6.350 -2.997 1.822) 7.254 2.613 ( 0.736 -5.309 -0.632) 5.397 2.656 ( -2.290 5.575 -6.383) 8.779 2.740 ( -3.967 2.172 4.514) 6.390 2.918 ( 6.752 4.729 0.410) 8.254 2.955 ( -0.486 -1.708 -2.542) 3.101 3.020 ( 1.411 0.656 1.088) 1.899 3.068 ( -1.377 3.314 6.371) 7.312 3.164 ( 0.004 4.376 -0.306) 4.387 3.187 ( 6.950 1.482 -1.574) 7.279 3.211 ( 2.364 -1.773 -1.326) 3.239 3.274 ( -0.792 -0.547 -1.048) 1.423 3.286 ( -0.194 1.123 -0.029) 1.140 3.467 ( 1.739 1.532 -0.354) 2.345 3.506 ( 1.888 -1.238 -0.493) 2.312 3.539 ( 0.209 3.167 -4.598) 5.588 3.611 ( -9.695 3.165 2.273) 10.448 3.670 ( -4.048 2.508 -2.960) 5.607 3.707 ( -10.327 2.683 -1.695) 10.803 3.741 ( 0.372 -0.101 -4.655) 4.671 3.915 ( 1.189 -4.611 -0.926) 4.851 3.982 ( 1.368 -4.243 -2.127) 4.940 4.003 ( -3.042 -2.867 -0.674) 4.234 4.068 ( 2.007 1.736 -4.688) 5.387 4.089 ( -3.430 -0.540 3.193) 4.717 4.182 ( 1.200 0.372 -5.517) 5.658 4.215 ( 3.589 2.450 -1.794) 4.701 4.264 ( -4.343 -3.723 -0.010) 5.720 4.356 ( -0.079 -3.218 -3.411) 4.690 4.440 ( -3.098 -0.720 9.730) 10.236 4.504 ( 3.305 0.930 -1.115) 3.610 4.541 ( -3.799 -2.443 1.126) 4.655 4.697 ( -0.653 -3.608 -1.621) 4.009 4.721 ( 5.970 -2.581 -2.550) 6.986 4.891 ( 1.206 -2.125 -6.351) 6.804 4.924 ( -2.290 1.610 1.288) 3.082 4.941 ( 2.892 -0.662 2.812) 4.088 4.964 ( 1.481 -2.031 -1.499) 2.927 5.030 ( -0.901 -3.904 -3.697) 5.451 5.132 ( 0.553 -1.936 0.509) 2.077 5.151 ( 4.851 -8.932 -2.809) 10.545 5.248 ( -6.134 -1.688 7.036) 9.486 5.318 ( 2.958 -6.495 -1.629) 7.320 5.401 ( 2.816 2.404 -1.819) 4.125 5.458 ( -4.670 -3.721 7.135) 9.304 5.493 ( 0.498 -0.105 1.564) 1.644 5.574 ( -2.182 -2.120 -3.924) 4.965 5.634 ( 3.802 -4.330 6.313) 8.548 5.758 ( 2.554 -1.920 2.471) 4.039 5.779 ( 0.175 -5.185 8.206) 9.709 5.939 ( -0.168 -4.216 -0.133) 4.222 5.989 ( 1.226 0.721 -0.471) 1.499 6.058 ( 1.172 1.757 -0.699) 2.225 6.122 ( -0.672 1.705 -0.948) 2.063 6.160 ( -2.343 -0.323 2.724) 3.607 6.384 ( 0.250 -0.321 2.097) 2.136 6.556 ( -5.895 4.526 -1.018) 7.501 6.685 ( 1.906 6.009 -2.915) 6.945 6.711 ( 0.992 1.204 -1.499) 2.163 8.245 ( -0.559 0.310 -0.236) 0.682 8.438 ( 0.177 -1.153 5.064) 5.197 8.489 ( 7.464 -2.654 1.116) 8.000 8.784 ( -2.313 -5.214 -7.404) 9.346 9.264 ( 0.914 -4.115 3.347) 5.382 9.399 ( -0.803 -5.982 1.383) 6.192 9.474 ( 1.252 -5.688 -1.594) 6.038 9.718 ( -3.937 -4.607 -5.927) 8.477 9.801 ( -1.064 -0.985 0.099) 1.453 10.005 ( 2.860 -4.085 3.200) 5.925 10.212 ( 2.784 6.474 4.597) 8.414 10.338 ( -3.683 11.725 -6.482) 13.895 10.546 ( -1.773 3.316 1.596) 4.085 10.613 ( 1.100 8.922 2.688) 9.383 10.706 ( -2.835 8.567 -0.226) 9.027 10.884 ( -2.152 -0.985 1.741) 2.938 11.148 ( 7.149 -1.755 5.225) 9.027 11.404 ( -0.109 -4.053 -6.255) 7.454 11.663 ( -3.714 -0.981 -1.335) 4.066 11.721 ( 0.849 -2.777 0.583) 2.962 18.748 ( -1.142 1.592 0.830) 2.128 18.860 ( 0.550 3.234 -1.726) 3.707 18.939 ( -2.807 5.557 3.307) 7.049 19.272 ( -0.587 -4.434 0.185) 4.476 19.404 ( 3.189 0.821 -1.573) 3.649 19.480 ( 1.045 0.768 1.730) 2.163 19.586 ( 3.288 -1.087 4.004) 5.294 19.740 ( -4.682 0.578 -8.054) 9.334 19.940 ( -7.432 -2.184 -0.602) 7.769 20.267 ( 5.893 -10.212 -1.477) 11.882 20.376 ( -3.016 2.915 4.945) 6.484 20.534 ( 2.449 2.230 -0.469) 3.346 20.757 ( -0.015 -1.053 0.416) 1.132 20.798 ( 0.754 0.594 -0.075) 0.963 20.912 ( -2.290 -0.404 -0.240) 2.338 21.123 ( 4.056 0.276 -1.189) 4.236 ======================= Grid point 52 (23/65) ======================= q-point: ( 0.40 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 2.316 22.256 5.964) 23.157 1.224 ( -3.324 2.931 8.613) 9.686 1.267 ( -6.818 12.893 1.840) 14.700 1.419 ( 5.668 8.399 4.748) 11.190 1.757 ( 4.966 0.767 -7.660) 9.161 1.775 ( -1.537 1.839 -2.772) 3.665 1.881 ( -5.526 7.561 1.241) 9.447 1.943 ( 6.294 -0.003 -10.674) 12.391 2.059 ( 0.899 3.157 -4.854) 5.859 2.187 ( 4.932 4.510 3.756) 7.667 2.225 ( 10.802 -6.739 6.749) 14.410 2.271 ( -5.188 -3.415 3.829) 7.297 2.342 ( -0.567 7.443 -2.712) 7.942 2.503 ( -1.348 0.191 4.154) 4.371 2.557 ( -4.213 2.217 -1.471) 4.982 2.667 ( 3.910 2.653 1.211) 4.878 2.724 ( -3.968 0.816 -0.438) 4.075 2.858 ( -9.245 -1.665 -2.021) 9.609 2.928 ( -0.448 -0.360 1.664) 1.760 3.053 ( -3.553 2.298 5.645) 7.055 3.129 ( 1.227 -0.367 -2.210) 2.555 3.145 ( 4.564 4.165 1.228) 6.300 3.174 ( -2.984 6.286 1.872) 7.206 3.261 ( 2.404 0.894 0.276) 2.579 3.294 ( 1.015 -1.829 -1.693) 2.691 3.356 ( 2.626 3.010 -1.096) 4.142 3.424 ( -0.224 1.457 -3.132) 3.461 3.481 ( -1.794 2.522 -1.316) 3.363 3.498 ( -1.065 5.336 -3.251) 6.338 3.530 ( -1.530 -0.333 -3.614) 3.939 3.595 ( 0.860 -0.130 -1.294) 1.559 3.681 ( 2.732 5.268 2.198) 6.328 3.713 ( 2.699 1.854 -9.222) 9.786 3.893 ( -1.753 -1.725 3.566) 4.332 3.911 ( -4.910 -0.524 0.609) 4.976 3.964 ( -1.178 -1.130 -1.104) 1.971 4.041 ( -0.479 0.883 1.338) 1.673 4.091 ( -0.002 -1.750 -0.241) 1.766 4.137 ( -0.682 -2.847 -0.819) 3.040 4.200 ( -0.943 -2.376 -3.442) 4.287 4.329 ( 4.905 -2.761 2.919) 6.341 4.356 ( 1.523 -2.396 0.178) 2.845 4.443 ( -2.939 0.206 1.672) 3.387 4.502 ( -0.397 -4.107 8.346) 9.310 4.615 ( 4.509 -5.651 -3.214) 7.911 4.687 ( 1.162 -5.640 -3.905) 6.958 4.759 ( 0.584 -1.657 -2.102) 2.740 4.865 ( 1.654 -1.742 -7.492) 7.868 4.926 ( 1.224 2.679 -0.849) 3.065 4.961 ( -0.289 -3.608 -3.324) 4.915 4.989 ( 0.897 -0.594 2.297) 2.536 5.048 ( 3.604 -5.130 2.106) 6.614 5.125 ( -0.305 -4.008 -0.940) 4.128 5.133 ( -4.064 -2.702 -5.908) 7.663 5.193 ( -5.024 1.307 9.195) 10.559 5.325 ( -1.916 -5.324 0.460) 5.676 5.399 ( 1.214 -2.155 -4.141) 4.823 5.444 ( -1.311 -1.614 5.409) 5.795 5.481 ( -1.040 -1.662 0.070) 1.961 5.560 ( 1.275 1.417 1.762) 2.596 5.699 ( 0.648 -2.534 0.625) 2.689 5.804 ( -2.577 -10.261 1.910) 10.750 5.875 ( 4.882 -5.874 1.389) 7.763 5.949 ( 0.150 -1.703 1.351) 2.178 5.988 ( -0.341 2.173 -0.041) 2.200 6.064 ( -2.471 3.323 -2.417) 4.795 6.086 ( -1.231 -1.579 1.515) 2.511 6.125 ( 0.346 3.525 0.431) 3.568 6.409 ( -0.190 -1.257 2.669) 2.956 6.512 ( -0.013 4.277 0.113) 4.279 6.693 ( 0.802 6.390 -0.456) 6.456 6.714 ( 0.454 1.938 -0.945) 2.203 8.244 ( 0.274 0.170 0.965) 1.018 8.452 ( -2.491 -1.972 5.078) 5.991 8.605 ( -1.431 -4.540 -3.960) 6.192 8.719 ( 5.351 -4.154 -1.812) 7.012 9.287 ( -2.136 -3.662 4.235) 5.992 9.409 ( 1.146 -6.475 1.552) 6.756 9.526 ( 5.178 -3.067 -1.383) 6.175 9.619 ( -2.402 -6.450 -2.721) 7.401 9.820 ( 2.803 -0.211 -1.178) 3.048 10.083 ( 1.340 -3.939 6.257) 7.514 10.190 ( -3.764 7.250 -5.260) 9.715 10.340 ( 3.154 8.142 3.772) 9.511 10.544 ( 0.597 0.040 2.788) 2.851 10.632 ( -2.303 9.527 2.858) 10.209 10.684 ( 1.083 7.731 1.394) 7.930 10.852 ( -2.134 1.129 1.567) 2.878 11.217 ( -2.264 -6.140 -3.583) 7.461 11.410 ( 4.980 0.218 -3.960) 6.367 11.559 ( -4.146 -0.259 -2.660) 4.933 11.697 ( -2.024 -0.249 -2.237) 3.027 18.732 ( -0.687 1.288 0.259) 1.483 18.843 ( -0.310 3.179 -2.215) 3.887 18.955 ( 0.107 3.437 5.528) 6.510 19.251 ( -1.679 -5.644 0.010) 5.888 19.434 ( 1.350 -0.478 -5.211) 5.404 19.517 ( 1.542 0.911 0.415) 1.839 19.589 ( -4.648 0.391 -5.671) 7.343 19.703 ( 5.428 1.205 3.578) 6.612 19.817 ( -4.586 -0.181 2.643) 5.296 20.308 ( -1.636 1.904 -1.591) 2.972 20.400 ( 2.239 -9.296 4.710) 10.659 20.586 ( 2.277 1.070 1.216) 2.794 20.754 ( -0.201 -1.416 -0.860) 1.669 20.814 ( -0.117 0.046 0.849) 0.858 20.882 ( 0.133 -0.145 -0.100) 0.221 21.148 ( 0.625 1.873 -2.778) 3.408 ======================= Grid point 53 (24/65) ======================= q-point: (-0.40 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -19.829 5.567 -1.629) 20.660 0.964 ( -8.689 20.463 4.694) 22.722 1.310 ( 2.674 21.453 2.824) 21.802 1.539 ( -11.899 1.772 6.650) 13.746 1.638 ( -3.810 2.530 9.128) 10.210 1.748 ( -7.937 10.424 -2.159) 13.278 1.861 ( 0.295 1.083 -0.792) 1.374 1.955 ( 6.400 2.832 -7.961) 10.600 2.021 ( 2.611 -0.290 -10.435) 10.761 2.086 ( -2.941 12.300 -9.727) 15.955 2.199 ( -3.155 4.292 6.660) 8.528 2.372 ( -0.534 3.520 -2.431) 4.310 2.421 ( 3.133 6.092 -3.431) 7.662 2.490 ( -0.985 4.124 0.836) 4.322 2.548 ( -2.024 -5.062 8.431) 10.040 2.626 ( 3.416 -2.558 4.975) 6.554 2.757 ( -1.458 -1.637 -0.919) 2.377 2.825 ( -3.432 -3.291 -1.673) 5.040 2.939 ( 3.598 -1.588 -3.544) 5.294 3.022 ( 5.936 -1.461 0.182) 6.116 3.117 ( -1.840 2.408 2.926) 4.213 3.188 ( 1.598 1.328 3.754) 4.290 3.230 ( -6.923 5.764 -0.557) 9.026 3.290 ( 3.431 -0.502 -1.493) 3.775 3.310 ( 1.044 1.142 3.717) 4.026 3.339 ( -4.647 -3.124 1.049) 5.697 3.408 ( 4.833 0.775 -3.882) 6.247 3.457 ( 6.013 4.527 -3.708) 8.391 3.470 ( 3.098 4.138 0.022) 5.170 3.524 ( -2.981 0.204 1.307) 3.261 3.624 ( 2.734 1.080 -3.686) 4.715 3.706 ( 2.186 0.417 -2.007) 2.997 3.753 ( 9.177 3.642 -4.337) 10.784 3.882 ( 0.981 -0.339 -0.340) 1.092 3.938 ( -0.518 0.301 1.057) 1.215 4.004 ( -2.588 -1.938 2.555) 4.120 4.013 ( 3.927 -1.094 -0.195) 4.081 4.073 ( 0.498 -4.514 -2.390) 5.132 4.143 ( -0.577 -0.390 4.436) 4.491 4.217 ( 3.965 -1.113 -1.901) 4.536 4.324 ( -4.393 -1.527 2.366) 5.218 4.429 ( 3.855 -8.121 -1.174) 9.066 4.445 ( 1.739 -2.768 1.060) 3.437 4.561 ( 0.547 -3.052 4.129) 5.164 4.618 ( -1.239 -4.776 -3.558) 6.083 4.672 ( 0.952 -2.610 -4.847) 5.586 4.744 ( 0.128 -0.789 -2.487) 2.613 4.806 ( -2.086 -0.789 -4.121) 4.686 4.916 ( -0.092 0.904 -6.288) 6.354 4.957 ( -0.083 2.652 -3.384) 4.300 4.963 ( -1.958 0.530 -1.006) 2.264 5.061 ( 0.574 -0.404 3.881) 3.943 5.083 ( -1.009 -2.304 2.911) 3.847 5.169 ( 3.695 -10.102 -0.614) 10.775 5.210 ( 0.286 0.170 4.513) 4.525 5.274 ( -3.695 -5.048 2.501) 6.737 5.387 ( -0.493 -3.640 -1.730) 4.060 5.446 ( -0.949 -2.979 1.036) 3.294 5.505 ( 0.863 -0.163 3.183) 3.302 5.611 ( 0.889 0.636 3.115) 3.301 5.689 ( -0.581 -2.614 -0.988) 2.855 5.713 ( -6.678 -8.166 0.600) 10.566 5.893 ( -6.926 -1.234 3.195) 7.727 5.924 ( -0.225 -6.578 0.107) 6.582 6.002 ( -1.767 0.219 0.579) 1.873 6.010 ( 1.452 2.935 -1.007) 3.426 6.082 ( 0.432 1.834 -1.004) 2.135 6.173 ( 3.654 3.906 -0.395) 5.363 6.413 ( -1.439 -0.984 2.590) 3.122 6.507 ( -0.788 3.345 0.347) 3.454 6.693 ( 0.038 1.871 -1.835) 2.621 6.753 ( 3.911 5.378 0.563) 6.673 8.270 ( 0.825 -0.489 2.601) 2.772 8.421 ( -3.513 -2.273 2.205) 4.729 8.485 ( -4.915 -1.282 -3.206) 6.006 8.833 ( 4.561 -7.338 -0.784) 8.675 9.256 ( -3.266 -2.863 3.076) 5.322 9.451 ( 0.717 -7.254 2.318) 7.649 9.541 ( -1.716 -5.909 -0.788) 6.203 9.687 ( 9.221 -4.393 -1.497) 10.323 9.871 ( 2.772 -0.099 -0.210) 2.781 10.093 ( -0.907 4.725 -5.664) 7.432 10.148 ( -1.755 -5.138 9.914) 11.303 10.390 ( 1.336 2.945 -0.769) 3.323 10.592 ( -1.814 5.334 2.685) 6.241 10.651 ( 3.081 7.075 9.733) 12.421 10.727 ( 0.706 6.785 3.768) 7.793 10.841 ( -0.040 5.552 1.763) 5.825 11.095 ( -3.889 -4.009 -7.126) 9.054 11.347 ( -4.176 4.585 -12.872) 14.289 11.563 ( 1.299 -3.580 0.360) 3.826 11.638 ( 0.067 -0.579 -2.986) 3.043 18.729 ( 0.071 1.207 0.375) 1.266 18.826 ( 0.306 2.792 -1.978) 3.435 19.017 ( 1.673 2.096 7.006) 7.502 19.209 ( -1.725 -4.151 -1.640) 4.785 19.397 ( -0.779 -1.416 -3.293) 3.668 19.472 ( -2.359 -0.402 -5.444) 5.947 19.542 ( -0.092 3.194 1.173) 3.404 19.731 ( -0.481 2.309 -4.827) 5.372 19.906 ( 5.779 2.913 9.060) 11.134 20.244 ( -2.247 0.185 -3.858) 4.468 20.460 ( -0.678 -6.962 5.747) 9.053 20.645 ( 2.401 -1.105 3.901) 4.712 20.739 ( -0.513 -1.327 -1.102) 1.799 20.801 ( -0.575 0.723 -0.830) 1.242 20.916 ( 1.728 -1.138 2.087) 2.938 21.103 ( -2.637 -0.202 -5.345) 5.963 ======================= Grid point 54 (25/65) ======================= q-point: (-0.20 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( -11.539 14.253 8.847) 20.362 0.785 ( -12.943 19.176 10.065) 25.229 1.225 ( -24.220 17.784 11.446) 32.154 1.394 ( -1.690 24.013 3.703) 24.356 1.519 ( -2.658 6.051 10.320) 12.255 1.683 ( -4.947 8.125 6.922) 11.764 1.827 ( -2.252 16.163 -7.975) 18.164 1.953 ( 1.491 5.248 2.287) 5.915 2.007 ( 5.805 -2.415 -12.933) 14.381 2.154 ( -2.570 5.460 -6.243) 8.683 2.178 ( 9.997 2.631 -7.881) 12.999 2.265 ( -5.612 0.806 -2.211) 6.085 2.446 ( 5.786 -2.275 5.985) 8.630 2.569 ( -0.550 -0.862 2.273) 2.492 2.645 ( 0.212 2.354 2.944) 3.775 2.664 ( 1.441 -2.121 -2.038) 3.276 2.744 ( 7.938 1.946 2.084) 8.435 2.833 ( 4.383 3.422 -0.062) 5.561 2.933 ( -3.313 -0.046 3.674) 4.947 3.031 ( -4.112 -2.929 -0.142) 5.051 3.108 ( -3.326 4.479 -1.992) 5.924 3.141 ( -0.125 -3.141 1.131) 3.340 3.176 ( -1.851 0.577 -3.536) 4.033 3.218 ( -4.007 -1.892 -0.862) 4.514 3.304 ( -5.515 -0.272 1.763) 5.796 3.348 ( 2.136 -2.501 -0.861) 3.400 3.457 ( 1.750 2.480 -2.579) 3.982 3.521 ( 7.962 -0.779 -1.779) 8.195 3.593 ( 3.308 0.265 -1.871) 3.809 3.646 ( 7.521 2.572 -0.165) 7.951 3.670 ( 5.775 0.826 -0.710) 5.877 3.718 ( -2.287 -0.582 -0.383) 2.391 3.832 ( -2.193 -3.099 -1.467) 4.070 3.885 ( 0.881 -4.372 -0.616) 4.503 3.918 ( 3.682 -0.338 2.205) 4.305 4.028 ( -0.153 -2.290 0.651) 2.385 4.049 ( 2.518 -2.953 0.346) 3.896 4.125 ( 5.403 1.124 -5.047) 7.479 4.197 ( -2.594 -0.617 1.008) 2.850 4.234 ( 8.062 3.896 -0.034) 8.954 4.318 ( 2.644 -1.552 -6.169) 6.889 4.403 ( -4.626 -4.094 0.637) 6.210 4.486 ( -1.758 -4.067 2.509) 5.092 4.520 ( -1.975 -5.331 -6.423) 8.578 4.615 ( 2.669 -1.563 2.656) 4.077 4.660 ( -2.723 1.320 -0.842) 3.141 4.710 ( 0.993 0.099 -2.932) 3.097 4.808 ( 2.711 2.175 0.829) 3.574 4.876 ( 0.910 1.483 -2.050) 2.689 4.910 ( -1.762 0.385 -1.353) 2.255 4.956 ( 1.375 1.184 -4.453) 4.808 5.069 ( -1.640 -4.439 0.177) 4.735 5.097 ( -0.752 0.581 2.442) 2.620 5.188 ( -3.243 -4.084 -1.925) 5.559 5.222 ( 3.227 -10.399 -3.780) 11.526 5.262 ( -0.780 -2.601 3.571) 4.486 5.394 ( -0.467 -2.125 7.365) 7.680 5.437 ( -0.318 -2.729 -1.938) 3.362 5.501 ( -3.781 -2.639 3.565) 5.829 5.563 ( -5.516 0.490 3.004) 6.301 5.611 ( -6.263 -9.908 11.044) 16.105 5.742 ( 3.814 -1.882 -2.421) 4.894 5.754 ( -7.580 -0.400 3.732) 8.459 5.926 ( 0.259 -5.720 0.136) 5.727 6.000 ( 0.189 -0.470 2.385) 2.439 6.009 ( -0.592 1.978 -1.038) 2.311 6.081 ( 0.591 5.326 -1.615) 5.596 6.216 ( -0.668 2.888 1.060) 3.148 6.400 ( -1.701 0.283 2.424) 2.975 6.526 ( 4.353 3.378 -1.037) 5.607 6.683 ( 0.627 0.620 -2.009) 2.194 6.831 ( 3.591 2.580 -2.935) 5.307 8.299 ( -0.980 -2.385 3.524) 4.367 8.381 ( -1.442 -0.121 1.449) 2.048 8.388 ( -2.898 -0.803 -1.847) 3.529 8.873 ( 1.502 -7.694 -3.040) 8.408 9.228 ( -1.383 -2.237 1.808) 3.191 9.449 ( -1.791 -8.057 0.634) 8.278 9.518 ( -0.806 -6.626 0.067) 6.676 9.811 ( 4.464 -4.322 -3.953) 7.364 9.920 ( 2.557 -2.488 0.232) 3.576 10.081 ( 2.673 4.128 -3.196) 5.865 10.115 ( -9.350 -8.301 5.170) 13.530 10.434 ( 3.677 -1.520 0.540) 4.015 10.574 ( -1.984 7.361 3.002) 8.193 10.729 ( -3.503 2.543 2.505) 5.001 10.776 ( 1.112 10.104 2.952) 10.585 10.857 ( 0.135 4.813 1.297) 4.986 11.070 ( -4.083 4.409 -5.695) 8.279 11.175 ( 8.436 6.791 -0.135) 10.830 11.517 ( -2.182 -2.585 -2.432) 4.167 11.683 ( 2.847 -2.530 -0.083) 3.810 18.739 ( 0.358 1.382 0.965) 1.723 18.830 ( 1.462 3.127 -1.480) 3.756 19.089 ( 0.194 -3.073 -0.884) 3.204 19.237 ( 5.716 -1.064 7.628) 9.591 19.354 ( -2.119 1.042 -2.573) 3.492 19.423 ( 0.494 0.010 -1.435) 1.518 19.563 ( 1.481 2.503 2.090) 3.582 19.654 ( -1.401 7.762 -8.437) 11.550 20.055 ( 2.276 2.879 4.938) 6.153 20.194 ( 0.759 -2.798 -2.186) 3.631 20.460 ( -2.070 -3.665 1.694) 4.537 20.710 ( -0.804 -2.652 -2.806) 3.944 20.765 ( 4.446 -1.380 8.284) 9.503 20.790 ( 0.666 0.718 -0.832) 1.286 20.931 ( -9.526 -3.068 -6.785) 12.091 20.956 ( -0.859 -1.433 2.124) 2.703 ======================= Grid point 55 (26/65) ======================= q-point: ( 0.00 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 0.147 15.314 10.650) 18.654 1.010 ( -2.745 11.210 23.016) 25.747 1.530 ( -3.506 2.917 7.992) 9.202 1.541 ( -2.297 24.579 -1.848) 24.755 1.715 ( -3.483 -0.041 -3.677) 5.065 1.942 ( -1.460 4.592 -3.028) 5.691 1.970 ( 5.241 7.162 -8.132) 12.037 2.072 ( -3.741 10.974 2.431) 11.846 2.085 ( 0.115 10.870 -4.360) 11.712 2.143 ( -3.593 11.468 -4.350) 12.780 2.284 ( -0.326 7.583 2.202) 7.902 2.450 ( -0.170 1.096 -1.026) 1.511 2.486 ( 1.659 3.161 -1.914) 4.050 2.586 ( 7.331 3.227 -1.842) 8.219 2.649 ( -6.215 -1.478 -3.325) 7.202 2.740 ( 1.296 2.001 2.570) 3.506 2.753 ( 7.650 -3.260 3.874) 9.174 2.860 ( 1.466 0.302 3.644) 3.939 2.996 ( -1.316 0.814 -1.677) 2.282 3.035 ( -2.956 0.951 1.365) 3.392 3.048 ( -1.154 1.963 -0.047) 2.278 3.124 ( 0.164 -1.894 -0.879) 2.094 3.219 ( 6.202 2.382 3.776) 7.641 3.233 ( -1.919 7.585 2.288) 8.152 3.269 ( 2.230 2.758 -1.202) 3.745 3.304 ( -2.727 -3.043 0.100) 4.088 3.410 ( 1.100 -4.424 -3.171) 5.553 3.490 ( 3.848 -3.690 -4.541) 7.003 3.525 ( -4.225 0.988 0.010) 4.339 3.656 ( 0.267 -3.807 0.808) 3.901 3.667 ( 2.187 -1.607 1.478) 3.091 3.778 ( 2.384 -0.686 1.707) 3.011 3.806 ( -0.269 0.639 -5.160) 5.206 3.900 ( 1.632 -2.225 1.047) 2.951 3.937 ( 1.895 -7.184 -0.895) 7.483 3.985 ( -1.007 2.499 1.261) 2.974 4.066 ( -1.303 -0.316 -0.867) 1.597 4.101 ( -4.468 -2.285 1.207) 5.161 4.162 ( -4.432 -4.485 -2.410) 6.751 4.223 ( 3.239 -0.563 -2.255) 3.986 4.333 ( 1.545 -1.906 -8.836) 9.171 4.380 ( -0.237 1.811 2.282) 2.923 4.391 ( 3.374 -3.111 -6.049) 7.593 4.504 ( -5.019 -1.350 2.810) 5.908 4.525 ( 4.186 -0.602 -1.118) 4.374 4.651 ( 0.911 -2.370 3.263) 4.135 4.708 ( -3.615 -0.445 -3.522) 5.067 4.786 ( -1.883 -12.431 0.456) 12.581 4.855 ( -0.425 1.520 -3.259) 3.621 4.915 ( 6.728 -3.110 -1.346) 7.533 4.949 ( -2.552 -1.132 -0.211) 2.799 4.966 ( -0.443 0.156 -2.349) 2.395 5.058 ( -1.137 0.186 0.853) 1.433 5.096 ( 1.718 -2.044 1.332) 2.984 5.144 ( -0.353 2.864 -1.224) 3.135 5.258 ( 3.426 -1.277 -0.283) 3.667 5.351 ( 0.206 -1.887 3.429) 3.920 5.392 ( -0.836 -1.204 4.238) 4.484 5.465 ( -2.141 1.837 4.851) 5.612 5.503 ( 0.855 -2.711 9.775) 10.180 5.583 ( -3.989 3.231 3.827) 6.403 5.711 ( -0.508 -2.566 -2.644) 3.719 5.745 ( -1.284 -0.737 5.232) 5.437 5.861 ( 2.304 -2.944 -0.322) 3.752 5.940 ( 0.681 -4.518 -1.327) 4.758 5.979 ( -1.117 -5.133 0.693) 5.298 6.175 ( -0.139 1.533 -0.058) 1.540 6.222 ( -1.956 0.367 -1.748) 2.649 6.404 ( -1.712 2.267 2.575) 3.834 6.628 ( 3.017 -7.726 -3.938) 9.182 6.681 ( 0.421 -1.421 -0.668) 1.626 6.728 ( -1.824 1.043 -1.194) 2.417 8.271 ( -0.621 0.424 -0.515) 0.912 8.345 ( 1.803 -1.289 -0.271) 2.233 8.415 ( 0.521 0.357 1.169) 1.329 8.697 ( 0.144 -8.488 -3.536) 9.197 9.212 ( 0.888 -0.074 -2.421) 2.580 9.308 ( 0.335 -2.909 -0.235) 2.937 9.356 ( -1.999 -6.143 1.527) 6.638 9.718 ( 0.085 -5.953 -6.156) 8.564 9.851 ( -6.509 -1.166 3.147) 7.323 9.887 ( -0.008 -2.819 1.177) 3.055 10.227 ( 3.010 4.319 3.253) 6.188 10.464 ( 2.170 -3.175 6.643) 7.676 10.747 ( -0.402 9.266 -1.111) 9.341 10.794 ( -3.775 8.561 -0.689) 9.382 10.906 ( -5.131 5.393 -5.586) 9.307 10.997 ( -0.812 6.600 1.041) 6.730 11.028 ( 1.877 5.352 -1.724) 5.928 11.346 ( 1.750 -4.253 -0.734) 4.657 11.516 ( 6.215 -3.142 5.414) 8.821 11.641 ( 0.740 -5.339 0.716) 5.438 18.792 ( -0.204 2.593 1.946) 3.248 18.894 ( 0.168 1.790 1.461) 2.317 19.069 ( 0.984 2.340 -3.163) 4.056 19.309 ( -2.635 -0.784 3.626) 4.551 19.364 ( 2.274 0.747 0.527) 2.451 19.434 ( 2.406 -1.839 1.419) 3.344 19.524 ( -1.216 1.588 -1.583) 2.551 19.785 ( 4.799 0.271 -5.982) 7.674 19.962 ( -4.850 -4.610 -4.584) 8.111 20.174 ( -6.053 -4.319 -6.182) 9.670 20.408 ( 1.995 2.468 4.863) 5.807 20.586 ( -2.789 0.475 -2.278) 3.632 20.765 ( -2.010 0.280 1.575) 2.569 20.801 ( 0.536 0.583 -0.572) 0.977 20.931 ( -1.109 -0.999 1.994) 2.490 20.955 ( 7.452 -0.890 5.351) 9.217 ======================= Grid point 56 (27/65) ======================= q-point: ( 0.20 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 2.437 10.656 16.230) 19.568 1.227 ( 5.989 5.704 17.823) 19.649 1.519 ( -4.511 0.761 7.175) 8.509 1.553 ( 7.805 17.970 -2.785) 19.789 1.684 ( 2.563 -6.407 -4.102) 8.028 1.866 ( -3.777 15.641 -0.417) 16.096 1.952 ( -0.673 0.087 -5.495) 5.537 2.023 ( 1.778 10.213 -8.428) 13.360 2.055 ( 2.695 1.076 -3.951) 4.902 2.161 ( -1.896 4.809 3.488) 6.236 2.256 ( -1.830 10.370 0.874) 10.566 2.407 ( -1.921 3.803 -3.236) 5.350 2.466 ( -5.096 -2.368 -5.022) 7.536 2.550 ( 1.764 3.929 8.203) 9.265 2.586 ( -4.325 2.642 -1.583) 5.310 2.778 ( 2.189 5.262 -4.640) 7.349 2.836 ( 0.423 5.865 1.980) 6.204 2.918 ( -3.060 0.020 -2.092) 3.707 2.987 ( 4.516 2.866 -1.123) 5.465 3.030 ( 2.889 1.229 1.225) 3.370 3.109 ( 1.774 -1.934 3.370) 4.271 3.163 ( 3.249 -0.168 1.335) 3.516 3.181 ( -4.530 -3.009 -4.979) 7.373 3.280 ( 3.798 7.555 7.100) 11.042 3.293 ( 0.984 2.546 0.425) 2.763 3.350 ( 3.492 3.244 1.762) 5.081 3.420 ( 1.357 -0.647 -3.079) 3.426 3.547 ( 4.709 2.707 1.453) 5.622 3.560 ( 5.493 -2.613 -3.852) 7.200 3.651 ( -3.599 -0.592 3.274) 4.901 3.690 ( -8.330 -1.958 -1.291) 8.654 3.705 ( -1.746 0.258 0.060) 1.766 3.800 ( -4.734 0.039 -4.352) 6.431 3.816 ( -1.084 -0.001 0.048) 1.085 3.919 ( -2.504 -2.785 0.566) 3.788 3.959 ( -0.731 -2.731 0.691) 2.910 4.012 ( -1.870 -3.825 3.245) 5.354 4.097 ( 1.867 -2.173 0.621) 2.931 4.127 ( 0.841 -4.783 -2.468) 5.448 4.217 ( -2.920 2.086 -5.448) 6.524 4.274 ( 3.018 1.678 -4.507) 5.678 4.335 ( -4.844 0.308 -0.729) 4.909 4.436 ( 1.094 -0.799 0.443) 1.426 4.464 ( -2.177 -2.721 1.175) 3.678 4.555 ( -2.900 0.679 -0.107) 2.980 4.608 ( 2.938 -6.218 -4.409) 8.169 4.664 ( -0.722 0.165 -2.717) 2.816 4.758 ( -1.778 -12.872 0.175) 12.996 4.814 ( 0.097 -5.757 -5.537) 7.988 4.905 ( -0.293 -0.508 1.105) 1.251 4.974 ( 1.356 0.327 -0.725) 1.572 4.997 ( 0.712 1.416 -0.910) 1.827 5.087 ( 4.686 0.202 -0.383) 4.706 5.117 ( -0.549 -1.138 0.922) 1.564 5.151 ( 1.399 -2.301 0.431) 2.727 5.311 ( 0.493 0.446 2.069) 2.173 5.413 ( -1.025 -0.208 6.787) 6.867 5.444 ( 2.193 -0.143 -0.795) 2.337 5.459 ( -0.016 -1.039 2.371) 2.589 5.551 ( -2.403 0.620 0.497) 2.531 5.568 ( 0.168 -2.709 6.398) 6.950 5.655 ( -1.901 -3.876 2.155) 4.825 5.764 ( -1.029 -1.715 3.435) 3.975 5.867 ( 1.071 -3.151 0.678) 3.397 5.976 ( -0.355 -5.573 1.679) 5.831 6.021 ( 5.023 -2.344 -1.353) 5.705 6.140 ( -1.832 -0.970 -2.760) 3.452 6.166 ( -2.883 -1.938 -0.237) 3.482 6.408 ( 0.025 2.728 2.428) 3.652 6.578 ( -2.831 -1.327 -0.178) 3.132 6.697 ( 2.195 -2.516 -1.685) 3.740 6.738 ( 1.444 0.445 -1.689) 2.267 8.256 ( -0.340 0.854 -0.498) 1.045 8.408 ( 3.144 -2.430 1.988) 4.443 8.432 ( 1.119 -2.198 0.581) 2.534 8.661 ( -0.832 -7.001 -4.506) 8.367 9.217 ( 1.145 -1.104 -0.613) 1.705 9.322 ( -1.784 -2.089 3.465) 4.422 9.359 ( 3.975 -4.511 -1.886) 6.301 9.634 ( -3.379 -4.175 -6.072) 8.106 9.799 ( -0.399 0.755 1.368) 1.612 9.937 ( 2.719 -3.003 3.048) 5.070 10.321 ( 2.786 4.859 6.810) 8.817 10.503 ( -2.289 3.560 0.823) 4.312 10.620 ( -6.933 4.647 -4.887) 9.672 10.769 ( 1.903 4.763 0.141) 5.131 10.843 ( -1.611 7.912 1.492) 8.211 10.928 ( -3.543 4.332 -1.754) 5.865 11.123 ( 3.031 0.111 4.127) 5.122 11.347 ( 2.025 -1.060 -4.806) 5.322 11.610 ( -1.332 -3.977 1.384) 4.417 11.660 ( 1.681 -4.506 0.485) 4.834 18.789 ( -1.486 2.573 1.417) 3.292 18.907 ( -0.205 1.820 1.348) 2.274 19.057 ( -0.735 5.196 -0.659) 5.289 19.222 ( -4.748 0.500 0.350) 4.787 19.406 ( 2.186 -1.173 -1.370) 2.834 19.504 ( 2.400 1.822 0.426) 3.044 19.560 ( 3.460 -1.689 4.794) 6.149 19.737 ( -3.124 -0.397 -8.978) 9.514 19.891 ( -4.449 -2.853 -0.684) 5.329 20.054 ( 2.223 -11.246 -2.221) 11.677 20.452 ( -1.853 4.298 3.469) 5.826 20.564 ( 1.673 1.040 -1.237) 2.326 20.751 ( -0.850 0.289 1.077) 1.402 20.809 ( 0.565 0.417 -0.124) 0.713 20.910 ( -1.773 0.357 0.747) 1.957 21.110 ( 4.993 -1.709 0.861) 5.347 ======================= Grid point 57 (28/65) ======================= q-point: ( 0.40 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -2.997 3.170 11.053) 11.882 1.296 ( -2.169 6.941 2.358) 7.645 1.551 ( -0.629 11.888 8.597) 14.684 1.654 ( -3.375 0.919 3.459) 4.919 1.733 ( 5.562 13.326 4.135) 15.020 1.860 ( -1.542 -0.073 -7.550) 7.706 1.948 ( 3.440 3.254 -8.397) 9.640 2.002 ( 0.908 -4.410 1.898) 4.887 2.073 ( 1.425 4.306 -0.205) 4.540 2.117 ( 7.434 6.078 6.408) 11.544 2.324 ( 5.312 7.234 1.002) 9.030 2.353 ( -0.881 8.367 1.381) 8.526 2.451 ( 2.036 1.809 -0.137) 2.727 2.487 ( -3.011 -0.073 -2.898) 4.180 2.611 ( -2.273 2.823 0.086) 3.625 2.730 ( 0.430 8.237 -6.622) 10.578 2.839 ( -3.668 4.312 0.473) 5.681 2.864 ( -1.532 2.446 -1.572) 3.286 2.944 ( -5.686 2.538 -1.493) 6.403 3.034 ( -2.834 -3.321 -2.871) 5.225 3.116 ( 3.946 0.692 -1.509) 4.281 3.195 ( 1.015 0.184 3.733) 3.873 3.251 ( 3.943 -1.144 0.899) 4.203 3.309 ( 0.225 0.386 0.594) 0.744 3.339 ( -2.543 6.898 1.423) 7.488 3.404 ( -2.573 -0.968 -3.523) 4.468 3.420 ( 1.600 -0.004 0.532) 1.686 3.498 ( -1.449 2.138 2.924) 3.902 3.540 ( -1.644 3.032 -1.430) 3.733 3.588 ( -2.547 -0.757 -4.989) 5.652 3.619 ( 2.269 4.480 -2.611) 5.660 3.739 ( 0.048 2.140 -4.192) 4.707 3.776 ( 2.818 2.440 3.861) 5.367 3.846 ( -0.093 -2.138 4.613) 5.085 3.898 ( 0.791 -0.845 2.818) 3.046 3.955 ( -0.870 -0.388 1.983) 2.200 4.007 ( -0.026 -4.888 -0.038) 4.888 4.077 ( -1.204 -5.417 -3.576) 6.602 4.119 ( -2.836 5.775 0.240) 6.438 4.146 ( 2.394 -0.257 -9.437) 9.739 4.227 ( -2.505 -5.961 -0.021) 6.466 4.314 ( -0.441 -0.890 2.746) 2.920 4.402 ( -4.128 -5.218 4.764) 8.183 4.453 ( 1.258 -3.216 -2.227) 4.109 4.560 ( 3.483 0.701 -5.779) 6.784 4.600 ( 0.910 -4.227 -3.111) 5.327 4.671 ( 2.311 -5.316 -1.950) 6.116 4.729 ( 0.295 -8.728 -1.285) 8.827 4.814 ( 2.960 -6.784 -2.917) 7.956 4.942 ( 0.789 -3.383 2.348) 4.193 4.982 ( 2.220 3.236 -2.104) 4.453 5.034 ( 2.012 0.983 2.070) 3.050 5.090 ( -1.659 0.260 -1.045) 1.977 5.123 ( 0.520 1.293 -3.933) 4.173 5.189 ( -0.010 -1.350 2.340) 2.702 5.290 ( -4.809 1.107 3.979) 6.339 5.389 ( -2.640 0.309 -4.010) 4.811 5.424 ( -0.858 -0.768 7.398) 7.487 5.449 ( -2.356 -0.632 0.324) 2.461 5.566 ( 2.391 -1.523 1.615) 3.263 5.637 ( -0.051 -3.756 4.662) 5.987 5.646 ( -2.074 -4.773 1.824) 5.515 5.772 ( 0.677 -5.784 1.494) 6.012 5.907 ( -0.504 -2.770 2.144) 3.539 5.976 ( -0.548 -5.416 1.962) 5.787 6.044 ( -1.380 -1.083 -0.113) 1.758 6.092 ( 0.961 -1.047 -2.418) 2.805 6.161 ( 1.842 -0.902 -0.571) 2.129 6.427 ( -0.225 2.584 2.541) 3.631 6.558 ( -0.353 1.149 0.527) 1.313 6.714 ( 0.296 -1.707 -1.282) 2.155 6.747 ( 1.472 -1.071 -1.703) 2.493 8.255 ( 0.243 1.011 0.471) 1.141 8.420 ( -1.572 -1.149 1.846) 2.683 8.492 ( 0.926 -6.366 -1.028) 6.515 8.623 ( 1.887 -5.632 -2.837) 6.583 9.239 ( -0.261 -1.120 2.388) 2.651 9.308 ( -0.715 -3.631 1.716) 4.079 9.460 ( 7.095 -3.111 -1.226) 7.844 9.523 ( -3.876 -3.051 -3.729) 6.183 9.834 ( 2.476 1.514 0.964) 3.058 10.016 ( 1.675 -3.160 5.621) 6.662 10.320 ( -6.125 5.806 -5.807) 10.244 10.463 ( -1.059 3.715 0.596) 3.909 10.551 ( 1.662 1.572 5.582) 6.033 10.804 ( 0.360 5.056 0.738) 5.123 10.853 ( 1.261 10.029 3.102) 10.574 10.868 ( -1.593 1.311 1.197) 2.385 11.140 ( -2.415 -1.209 -1.180) 2.947 11.393 ( 5.667 -1.033 -2.999) 6.494 11.543 ( -4.624 -1.630 -1.908) 5.261 11.659 ( -0.932 -4.134 -3.357) 5.406 18.768 ( -1.232 2.345 0.881) 2.792 18.897 ( -1.034 1.973 -0.630) 2.315 19.049 ( -0.329 5.562 2.146) 5.971 19.169 ( -1.329 -1.676 -0.309) 2.161 19.409 ( 0.176 -2.438 -4.774) 5.363 19.526 ( -0.340 0.268 -1.528) 1.588 19.579 ( -1.801 -1.617 -3.389) 4.165 19.741 ( 5.107 2.786 3.565) 6.823 19.796 ( -1.795 -2.021 1.301) 3.000 20.163 ( 4.443 -11.491 7.466) 14.406 20.403 ( -3.333 4.751 -2.089) 6.168 20.595 ( 1.616 -0.021 -0.246) 1.634 20.742 ( -0.722 0.162 0.516) 0.902 20.820 ( 0.308 0.193 0.485) 0.606 20.885 ( -0.591 0.886 -0.302) 1.107 21.151 ( 0.255 -1.667 -2.850) 3.311 ======================= Grid point 58 (29/65) ======================= q-point: (-0.40 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -12.340 11.095 3.123) 16.886 1.294 ( -12.447 11.265 5.251) 17.590 1.493 ( -4.859 -0.629 12.449) 13.379 1.691 ( -0.254 4.705 6.059) 7.676 1.774 ( 2.353 13.891 0.857) 14.114 1.892 ( 2.505 4.865 4.036) 6.800 1.977 ( 6.858 10.093 -11.042) 16.457 2.025 ( 3.459 8.993 -3.890) 10.391 2.095 ( 1.932 8.675 0.867) 8.930 2.315 ( -2.534 4.548 1.206) 5.344 2.337 ( -3.863 3.324 0.205) 5.100 2.398 ( -4.914 7.369 2.317) 9.155 2.433 ( 4.785 -0.843 -1.917) 5.223 2.540 ( 2.825 -2.175 3.141) 4.752 2.575 ( 4.651 3.592 5.269) 7.893 2.624 ( -2.618 6.891 -6.442) 9.789 2.777 ( -2.018 2.998 -1.464) 3.899 2.788 ( 1.209 1.401 -4.499) 4.864 2.926 ( -1.822 -1.873 -5.468) 6.061 2.976 ( 3.450 -1.983 -0.058) 3.980 3.158 ( -5.316 -1.453 2.619) 6.102 3.182 ( 1.028 -1.538 0.793) 2.012 3.260 ( -3.349 -0.718 0.619) 3.481 3.283 ( 0.754 0.278 -2.704) 2.820 3.346 ( 0.917 -0.342 -0.618) 1.157 3.380 ( -6.744 5.766 1.551) 9.007 3.424 ( 0.684 1.816 -2.079) 2.844 3.454 ( 1.237 -0.571 1.844) 2.293 3.518 ( 0.721 0.908 -1.431) 1.842 3.612 ( 1.527 4.743 1.525) 5.211 3.647 ( 7.124 2.070 -6.488) 9.855 3.749 ( 0.880 2.812 -2.831) 4.087 3.808 ( 5.051 1.639 0.592) 5.343 3.837 ( -5.300 -3.248 3.527) 7.147 3.893 ( -2.397 -7.261 2.145) 7.942 3.930 ( -0.547 -2.804 0.139) 2.860 4.009 ( -5.355 2.717 -2.145) 6.376 4.074 ( 2.876 -4.399 0.067) 5.256 4.115 ( 6.370 5.278 -1.673) 8.440 4.184 ( 5.145 -2.522 -3.767) 6.857 4.236 ( 1.865 -9.529 0.731) 9.737 4.274 ( -2.513 -4.002 1.103) 4.853 4.399 ( -0.461 -3.009 3.056) 4.313 4.470 ( 3.449 -4.780 -6.568) 8.825 4.589 ( 3.369 -0.724 -2.212) 4.095 4.607 ( 1.399 -4.187 -3.362) 5.549 4.691 ( 0.350 -3.857 -0.416) 3.895 4.760 ( 3.751 -1.316 -1.138) 4.135 4.854 ( 1.585 -6.702 0.868) 6.942 4.946 ( 0.988 -2.496 -4.293) 5.063 5.013 ( -0.384 0.906 1.031) 1.425 5.033 ( -2.056 1.565 -4.643) 5.313 5.057 ( -0.900 2.254 -0.144) 2.431 5.114 ( 0.819 1.556 2.763) 3.275 5.150 ( -3.805 -2.137 0.380) 4.381 5.250 ( -0.933 0.055 1.036) 1.396 5.353 ( -3.953 0.074 7.278) 8.282 5.420 ( 0.683 0.032 -0.686) 0.968 5.487 ( 0.864 -1.395 3.368) 3.747 5.564 ( -5.923 -6.543 2.286) 9.117 5.612 ( -0.266 -1.279 2.920) 3.199 5.650 ( -1.134 -1.524 2.559) 3.187 5.794 ( 0.626 -6.719 0.039) 6.748 5.849 ( -5.615 -3.132 2.440) 6.877 5.973 ( -1.337 -3.526 0.996) 3.900 6.058 ( 1.595 0.862 -0.032) 1.814 6.114 ( 2.176 0.649 -1.630) 2.795 6.199 ( 3.036 -2.238 -0.370) 3.790 6.437 ( -0.830 2.565 2.682) 3.803 6.545 ( -1.360 0.995 0.427) 1.738 6.694 ( -0.485 -1.712 -2.327) 2.929 6.773 ( 1.897 -2.419 -0.751) 3.165 8.268 ( 0.107 0.452 1.453) 1.526 8.399 ( -1.050 -0.111 0.171) 1.070 8.434 ( -3.642 -3.696 -2.027) 5.571 8.681 ( 3.510 -7.862 -1.272) 8.703 9.227 ( -2.223 -0.056 2.412) 3.280 9.330 ( 0.697 -4.703 1.610) 5.020 9.428 ( -3.147 -4.610 -1.956) 5.915 9.604 ( 8.222 -4.293 -1.908) 9.469 9.881 ( 0.352 0.999 2.340) 2.568 10.071 ( -2.497 -3.274 9.138) 10.023 10.176 ( -2.264 3.752 -6.400) 7.757 10.378 ( -3.042 -2.620 -4.268) 5.859 10.710 ( 4.772 5.701 7.261) 10.392 10.812 ( 0.007 8.974 2.360) 9.279 10.863 ( 0.042 6.675 3.930) 7.746 10.950 ( 4.657 4.961 3.667) 7.729 11.067 ( -1.814 1.144 -2.298) 3.143 11.393 ( -4.620 0.703 -9.458) 10.550 11.492 ( 2.281 -3.720 0.075) 4.365 11.591 ( -1.564 -4.472 -4.729) 6.693 18.763 ( -0.044 2.233 0.889) 2.404 18.875 ( -0.217 1.979 -0.780) 2.138 19.069 ( 0.780 2.669 0.658) 2.857 19.158 ( 0.443 -0.238 0.709) 0.869 19.368 ( -0.504 -1.850 -3.004) 3.564 19.454 ( -1.973 -1.652 -4.700) 5.359 19.582 ( -0.099 1.181 1.636) 2.020 19.736 ( 1.493 -1.635 -4.704) 5.199 19.967 ( 7.440 2.515 10.317) 12.966 20.273 ( -2.454 -0.864 1.085) 2.819 20.316 ( -0.627 -2.823 3.108) 4.245 20.622 ( 1.615 -1.436 0.062) 2.162 20.733 ( -0.568 0.576 0.711) 1.077 20.816 ( -0.489 0.821 -0.611) 1.134 20.896 ( 1.088 -0.896 1.250) 1.883 21.077 ( -4.518 -2.492 -6.160) 8.036 ======================= Grid point 59 (30/65) ======================= q-point: (-0.20 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -4.939 18.897 6.457) 20.572 1.054 ( -16.255 10.735 15.438) 24.856 1.521 ( -2.958 2.186 10.014) 10.669 1.643 ( -6.694 16.217 -0.008) 17.544 1.842 ( 3.005 6.849 0.049) 7.479 1.862 ( -3.306 11.167 -4.731) 12.571 2.017 ( 1.327 12.802 5.330) 13.931 2.101 ( 3.842 6.270 -5.679) 9.291 2.134 ( -6.838 14.132 -0.872) 15.724 2.251 ( -1.925 9.110 -4.674) 10.419 2.290 ( 2.580 1.402 1.792) 3.440 2.304 ( 4.803 9.171 -0.168) 10.354 2.457 ( 1.543 3.211 -4.767) 5.951 2.561 ( 3.391 -0.490 -2.278) 4.115 2.610 ( 0.211 -0.825 -3.645) 3.743 2.719 ( 0.174 2.928 0.510) 2.978 2.732 ( 0.694 -1.451 2.313) 2.817 2.851 ( -0.963 -5.054 3.567) 6.261 2.925 ( 6.834 3.410 1.206) 7.732 3.008 ( -0.268 -0.946 1.745) 2.003 3.088 ( -1.084 -3.066 1.465) 3.567 3.150 ( -0.275 -1.932 -2.281) 3.002 3.207 ( -5.397 1.935 -1.050) 5.828 3.269 ( -0.360 0.303 2.499) 2.543 3.291 ( -3.066 9.579 -0.321) 10.063 3.333 ( -6.037 -1.114 -0.034) 6.139 3.409 ( 3.360 -5.502 -3.549) 7.359 3.465 ( 2.999 -1.865 -3.922) 5.278 3.587 ( 1.584 -1.872 -1.604) 2.930 3.628 ( 0.489 -4.225 0.470) 4.280 3.714 ( 1.783 0.963 -4.774) 5.186 3.734 ( -2.475 0.290 -0.574) 2.557 3.795 ( 1.059 0.544 -3.130) 3.349 3.860 ( 0.048 -1.745 5.496) 5.767 3.898 ( 2.172 -1.203 4.174) 4.857 3.949 ( 0.861 -2.929 -1.520) 3.410 3.980 ( 5.443 -1.086 2.207) 5.973 4.125 ( 1.601 -1.569 -1.547) 2.724 4.221 ( 3.108 -4.352 -2.582) 5.939 4.234 ( 0.712 1.501 2.939) 3.376 4.271 ( 5.233 -7.713 -7.099) 11.717 4.323 ( 5.073 -0.691 1.753) 5.412 4.400 ( 0.831 -4.046 0.195) 4.135 4.460 ( 0.709 0.763 -6.520) 6.603 4.578 ( -1.639 -0.935 -0.796) 2.048 4.645 ( 0.237 -3.998 1.190) 4.178 4.705 ( 2.741 -1.591 -1.503) 3.507 4.812 ( 2.190 -6.973 -3.158) 7.962 4.868 ( -1.274 0.080 -0.664) 1.439 4.926 ( -0.979 -4.049 -3.105) 5.195 4.954 ( -0.738 2.107 -0.913) 2.412 4.989 ( 0.355 1.781 -2.750) 3.296 5.053 ( -1.688 0.078 0.331) 1.722 5.094 ( -1.424 -1.617 3.430) 4.051 5.159 ( 0.214 0.320 0.790) 0.879 5.232 ( 0.368 -0.800 -3.197) 3.316 5.349 ( -3.130 -1.718 8.436) 9.161 5.436 ( -0.951 0.362 1.789) 2.058 5.448 ( -5.238 -1.649 4.035) 6.814 5.475 ( -4.159 -2.287 5.278) 7.098 5.615 ( -2.383 2.301 5.456) 6.383 5.700 ( 3.558 -2.651 -0.784) 4.506 5.753 ( -4.194 -0.429 1.948) 4.644 5.817 ( 1.030 -5.915 0.469) 6.022 5.957 ( -1.179 -5.020 1.171) 5.288 6.033 ( -2.951 0.021 -1.473) 3.298 6.154 ( 2.198 1.479 -0.495) 2.695 6.248 ( 0.984 -0.851 -0.697) 1.476 6.428 ( -2.581 2.199 3.087) 4.586 6.556 ( 4.090 -1.136 -1.464) 4.490 6.675 ( 0.467 -1.666 -2.146) 2.757 6.784 ( -0.831 -3.965 -0.924) 4.156 8.276 ( -0.183 -0.185 1.012) 1.045 8.359 ( -2.552 -1.658 -0.877) 3.167 8.396 ( 0.798 1.021 -0.276) 1.325 8.709 ( 1.077 -8.520 -2.388) 8.914 9.212 ( -0.243 0.257 0.135) 0.378 9.326 ( -1.700 -3.878 0.290) 4.244 9.383 ( -1.204 -6.390 -0.053) 6.503 9.713 ( 4.804 -6.282 -4.244) 8.975 9.877 ( -1.594 -1.431 2.132) 3.022 10.008 ( -9.781 -3.801 5.363) 11.784 10.160 ( 2.999 3.681 -1.666) 5.031 10.366 ( 2.936 -4.216 2.298) 5.628 10.766 ( -0.603 10.740 0.843) 10.790 10.818 ( -1.193 5.808 1.841) 6.209 10.920 ( 1.658 7.077 3.584) 8.104 11.002 ( 0.166 7.758 0.290) 7.765 11.158 ( 0.071 4.325 -2.259) 4.880 11.214 ( 2.212 -1.152 -2.820) 3.765 11.463 ( -1.722 -3.073 -2.378) 4.250 11.604 ( 2.736 -5.823 -0.128) 6.434 18.776 ( 0.373 2.400 1.419) 2.813 18.880 ( 0.567 1.863 0.424) 1.992 19.073 ( 1.138 0.873 -3.530) 3.811 19.225 ( 4.169 0.007 4.603) 6.210 19.355 ( -0.005 -0.632 -0.089) 0.638 19.409 ( 0.199 -1.493 -1.966) 2.477 19.573 ( -1.757 0.398 0.472) 1.863 19.746 ( 3.386 0.573 -5.773) 6.718 20.120 ( -5.300 -1.423 -6.679) 8.644 20.173 ( 4.001 5.540 7.442) 10.104 20.374 ( 0.016 -4.541 3.013) 5.450 20.652 ( 0.204 -3.211 -1.403) 3.510 20.751 ( 1.366 0.236 4.979) 5.168 20.806 ( 0.190 0.795 -1.100) 1.370 20.902 ( -5.586 -0.905 -4.244) 7.073 20.930 ( -0.882 -1.338 1.907) 2.490 ======================= Grid point 60 (31/65) ======================= q-point: ( 0.00 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -6.096 9.924 17.287) 20.844 1.225 ( -1.401 12.715 4.564) 13.582 1.459 ( -5.539 -6.075 10.682) 13.479 1.650 ( -4.495 -6.696 -4.677) 9.322 1.939 ( -5.301 9.314 -3.520) 11.280 1.970 ( 0.508 8.161 -3.085) 8.739 2.097 ( -0.911 2.571 -1.664) 3.196 2.177 ( -0.348 9.104 -6.252) 11.050 2.279 ( -2.356 2.515 0.703) 3.517 2.292 ( -4.538 -0.406 -7.761) 9.000 2.466 ( -1.476 9.448 -0.032) 9.563 2.479 ( 0.523 -2.361 -6.291) 6.739 2.587 ( -3.342 9.638 -2.410) 10.481 2.638 ( 5.874 2.656 0.904) 6.510 2.662 ( -5.301 2.336 -1.240) 5.924 2.695 ( 9.979 -1.726 5.003) 11.296 2.805 ( 3.391 4.825 -0.338) 5.907 2.882 ( 2.334 -0.089 2.224) 3.225 2.965 ( 0.350 -0.825 1.948) 2.144 3.016 ( 1.584 -0.799 4.410) 4.753 3.052 ( 0.152 -2.318 -2.564) 3.460 3.147 ( 4.103 3.831 0.446) 5.631 3.216 ( 0.011 -1.699 3.287) 3.700 3.247 ( 4.312 -1.425 -4.234) 6.209 3.315 ( 5.187 1.147 -1.661) 5.566 3.355 ( 1.416 -2.240 -1.515) 3.052 3.393 ( 0.882 0.720 0.799) 1.391 3.491 ( 0.568 1.524 -3.300) 3.679 3.557 ( -1.320 3.288 2.392) 4.275 3.599 ( -0.536 -0.845 1.856) 2.109 3.620 ( -0.352 1.626 -0.872) 1.878 3.724 ( 1.357 -4.659 0.311) 4.862 3.758 ( -3.327 -0.721 2.445) 4.192 3.865 ( -0.679 -4.101 -3.264) 5.285 3.890 ( 0.044 -5.676 2.516) 6.209 4.003 ( 2.339 -5.153 -4.535) 7.251 4.018 ( -1.580 1.664 0.114) 2.298 4.066 ( -1.658 -2.106 -0.039) 2.681 4.097 ( -2.784 0.366 -0.617) 2.875 4.170 ( 7.354 1.423 0.383) 7.500 4.310 ( 3.909 -0.769 -4.411) 5.943 4.333 ( -2.071 -0.908 -1.217) 2.568 4.446 ( -1.287 1.330 -0.000) 1.851 4.457 ( -1.512 -1.218 -1.180) 2.272 4.498 ( -1.187 -2.785 0.326) 3.045 4.616 ( -0.742 -3.963 1.122) 4.185 4.665 ( -3.097 -0.231 3.379) 4.590 4.721 ( 0.771 5.599 -2.586) 6.216 4.799 ( -0.515 -5.184 -0.646) 5.250 4.932 ( 4.031 1.223 -0.686) 4.268 4.954 ( -0.691 -1.516 -0.547) 1.753 4.991 ( -1.689 2.374 0.619) 2.978 5.052 ( -0.230 0.446 0.298) 0.583 5.115 ( -2.182 5.488 1.436) 6.078 5.219 ( 2.603 -1.459 0.472) 3.022 5.242 ( 0.389 4.067 -2.864) 4.990 5.342 ( 0.345 1.021 4.591) 4.716 5.398 ( -1.774 1.264 2.759) 3.515 5.440 ( -0.853 -1.846 7.650) 7.916 5.514 ( -0.180 -0.811 0.301) 0.883 5.631 ( -1.709 -1.315 2.508) 3.308 5.648 ( -1.042 -3.290 -0.730) 3.527 5.709 ( 0.142 -1.871 2.066) 2.791 5.763 ( 0.567 -3.117 2.832) 4.249 5.866 ( 3.393 -3.162 -4.595) 6.529 5.927 ( -2.273 0.270 -0.694) 2.392 6.087 ( -2.442 -13.201 -3.305) 13.826 6.140 ( -0.475 -4.941 -1.029) 5.069 6.469 ( -0.948 4.261 1.872) 4.750 6.565 ( 0.466 2.416 0.025) 2.461 6.634 ( 0.057 -3.397 0.086) 3.398 6.721 ( 0.216 -2.301 -1.277) 2.641 8.282 ( 0.041 0.724 -0.726) 1.026 8.320 ( 1.110 -1.221 -0.562) 1.743 8.428 ( -0.211 1.246 0.004) 1.264 8.556 ( 0.023 -6.064 -2.265) 6.473 9.218 ( 0.473 0.545 -2.687) 2.782 9.260 ( -0.190 -2.636 -0.910) 2.795 9.329 ( 0.714 3.499 1.453) 3.855 9.587 ( 0.996 -7.717 -4.070) 8.781 9.841 ( -4.128 -0.137 3.088) 5.157 9.851 ( -1.118 -1.029 2.329) 2.781 10.293 ( 2.750 2.782 5.311) 6.596 10.396 ( 2.747 -3.412 8.105) 9.213 10.887 ( -1.565 5.627 -4.180) 7.182 10.929 ( -5.250 5.466 -3.597) 8.389 10.984 ( -2.441 2.653 -6.562) 7.487 11.085 ( -3.954 0.534 -3.793) 5.505 11.146 ( 1.681 8.078 3.919) 9.134 11.313 ( 4.284 0.945 0.310) 4.398 11.451 ( 3.909 -3.792 4.345) 6.967 11.515 ( 1.128 -7.413 1.462) 7.639 18.844 ( -0.424 2.702 2.641) 3.802 18.910 ( -0.410 -0.227 2.969) 3.006 19.131 ( 1.941 4.341 -3.121) 5.688 19.293 ( 1.708 -1.631 0.989) 2.560 19.365 ( 0.894 -0.500 0.953) 1.399 19.389 ( 2.377 -2.159 2.636) 4.154 19.576 ( -0.522 3.664 -0.933) 3.817 19.753 ( 2.617 -4.138 -0.433) 4.916 19.918 ( -7.171 0.968 -10.278) 12.570 20.077 ( -8.043 -5.505 -7.710) 12.428 20.476 ( 3.219 4.008 3.575) 6.261 20.581 ( -0.230 -1.096 -1.143) 1.600 20.774 ( -1.210 0.757 1.642) 2.176 20.806 ( 0.088 -0.233 -0.243) 0.348 20.918 ( -0.068 -0.190 2.910) 2.917 20.940 ( 5.168 -0.819 4.232) 6.730 ======================= Grid point 61 (32/65) ======================= q-point: ( 0.20 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -3.205 7.147 18.909) 20.467 1.298 ( 2.797 3.502 9.340) 10.360 1.474 ( 0.510 -3.785 11.263) 11.893 1.558 ( 0.613 -6.391 -5.490) 8.447 1.779 ( -2.476 7.010 -6.631) 9.962 1.988 ( -2.830 0.768 4.882) 5.695 2.066 ( -4.687 1.745 -3.518) 6.115 2.124 ( -1.175 10.745 -5.070) 11.939 2.191 ( 2.533 7.032 -7.468) 10.566 2.262 ( 0.182 4.330 1.125) 4.478 2.391 ( 1.883 2.317 -6.259) 6.935 2.453 ( -3.191 2.743 -0.236) 4.215 2.535 ( 0.283 6.924 -1.996) 7.211 2.610 ( -2.812 -0.423 -0.326) 2.862 2.646 ( -1.020 5.249 1.864) 5.663 2.838 ( 1.911 -3.214 1.727) 4.119 2.878 ( 3.375 5.899 0.879) 6.853 2.930 ( -0.060 0.630 -4.315) 4.361 2.997 ( 5.578 0.289 -1.079) 5.689 3.071 ( 2.041 -3.875 2.259) 4.928 3.107 ( -2.439 3.886 -2.010) 5.009 3.171 ( 2.301 3.333 0.513) 4.083 3.186 ( -0.737 -0.199 -4.834) 4.894 3.235 ( -3.391 -1.547 3.015) 4.794 3.362 ( 4.740 -2.783 -1.459) 5.687 3.429 ( 2.164 -0.795 -2.692) 3.544 3.449 ( 1.817 -3.203 -1.862) 4.127 3.514 ( 0.204 6.230 0.729) 6.276 3.585 ( 3.633 -3.118 -3.478) 5.917 3.625 ( 2.123 -0.355 2.272) 3.130 3.641 ( 0.988 2.262 4.805) 5.402 3.703 ( -2.431 -3.354 -0.309) 4.154 3.716 ( -0.392 -3.101 1.101) 3.314 3.813 ( -4.200 1.071 3.327) 5.464 3.903 ( -2.070 -2.112 3.568) 4.634 3.968 ( -0.627 1.375 -2.800) 3.182 3.979 ( -0.254 -5.165 -2.254) 5.641 4.012 ( -1.914 0.323 2.958) 3.538 4.093 ( 0.726 1.885 1.095) 2.297 4.229 ( -2.948 -0.197 -1.481) 3.305 4.298 ( 3.402 -0.474 -8.594) 9.255 4.329 ( -1.837 0.791 -0.926) 2.204 4.396 ( -4.499 -1.935 1.145) 5.030 4.426 ( 1.928 -1.294 1.940) 3.025 4.503 ( -0.371 -2.072 -0.141) 2.110 4.591 ( 1.080 -1.252 -4.621) 4.908 4.627 ( -3.446 -1.393 1.112) 3.880 4.719 ( 0.953 2.886 0.790) 3.140 4.720 ( -3.806 -0.665 -2.914) 4.840 4.940 ( -1.451 2.142 -0.906) 2.742 4.987 ( 3.142 2.969 -2.490) 4.989 5.039 ( -0.236 2.093 -0.134) 2.110 5.070 ( 4.970 -0.568 2.294) 5.503 5.109 ( 0.828 1.279 2.749) 3.143 5.204 ( -0.626 5.615 -3.735) 6.773 5.284 ( 0.936 -2.638 2.767) 3.936 5.391 ( -1.075 -3.740 4.537) 5.977 5.420 ( 2.611 0.323 1.026) 2.824 5.479 ( 0.392 -0.710 3.603) 3.693 5.496 ( -2.694 -4.209 3.601) 6.160 5.567 ( -4.036 -0.226 0.579) 4.083 5.635 ( -2.222 1.898 1.720) 3.391 5.701 ( -2.719 -3.853 3.343) 5.780 5.791 ( -0.110 -5.677 2.252) 6.108 5.870 ( 2.556 -2.490 -1.676) 3.942 5.971 ( 0.540 -6.122 -4.039) 7.355 6.012 ( 1.918 -6.297 -1.040) 6.664 6.106 ( -1.457 -5.137 -1.573) 5.566 6.476 ( 0.003 4.088 1.884) 4.501 6.579 ( 0.420 2.189 0.576) 2.302 6.636 ( 0.686 -3.769 -0.253) 3.839 6.712 ( -0.203 -2.838 -1.465) 3.200 8.277 ( 0.155 1.344 -0.550) 1.460 8.351 ( 2.224 -2.812 -0.206) 3.591 8.422 ( -0.455 0.688 0.361) 0.900 8.539 ( -0.205 -5.558 -2.413) 6.062 9.212 ( 1.169 0.543 -1.748) 2.171 9.268 ( 0.502 -2.584 0.243) 2.644 9.367 ( 2.662 3.612 0.349) 4.501 9.552 ( -1.205 -4.699 -4.382) 6.537 9.823 ( 0.474 1.601 2.156) 2.727 9.890 ( 2.208 -2.074 2.972) 4.243 10.397 ( 2.593 3.226 8.370) 9.337 10.497 ( 0.676 -2.189 8.058) 8.377 10.713 ( -8.838 4.320 -9.029) 13.352 10.808 ( -3.028 -0.101 -5.222) 6.037 10.960 ( -0.071 3.267 0.866) 3.380 10.990 ( -2.457 1.999 -1.959) 3.724 11.194 ( 0.235 7.555 2.586) 7.989 11.371 ( 2.876 3.028 -2.468) 4.851 11.529 ( 0.019 -4.598 1.203) 4.753 11.540 ( 1.369 -7.705 1.288) 7.931 18.840 ( -1.872 2.717 2.164) 3.946 18.918 ( -1.347 -0.715 3.185) 3.532 19.137 ( 1.048 4.491 -2.740) 5.364 19.279 ( -2.743 2.909 -0.946) 4.109 19.366 ( -0.562 -1.744 -0.425) 1.881 19.488 ( 3.713 -3.517 3.569) 6.236 19.576 ( 0.215 3.689 0.563) 3.738 19.742 ( -2.615 0.612 -7.005) 7.502 19.824 ( 3.494 -5.008 4.276) 7.455 19.873 ( -5.202 -6.337 -8.086) 11.515 20.524 ( -0.483 3.050 1.227) 3.323 20.575 ( 0.973 0.090 -1.268) 1.601 20.763 ( -0.954 1.002 1.149) 1.799 20.806 ( -0.010 -0.715 0.100) 0.722 20.935 ( -0.198 2.407 1.626) 2.911 21.061 ( 3.903 -3.241 1.646) 5.333 ======================= Grid point 62 (33/65) ======================= q-point: ( 0.40 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -5.914 4.681 16.440) 18.088 1.385 ( -1.183 2.526 10.469) 10.834 1.585 ( 1.207 -1.695 4.078) 4.578 1.677 ( 1.367 -0.499 11.768) 11.858 1.799 ( -1.137 -2.837 -2.491) 3.943 1.858 ( 7.166 -4.453 5.610) 10.132 2.018 ( -1.014 9.997 1.823) 10.212 2.129 ( 3.386 11.662 -6.168) 13.620 2.181 ( 1.135 10.399 -0.531) 10.474 2.307 ( 4.340 5.926 -3.360) 8.077 2.421 ( 2.508 0.329 -1.055) 2.741 2.455 ( 2.677 -0.960 -0.367) 2.868 2.503 ( -3.909 1.911 -0.263) 4.359 2.543 ( -0.242 9.548 0.024) 9.551 2.660 ( 0.685 3.380 -1.767) 3.875 2.827 ( -2.194 -4.281 -4.286) 6.443 2.855 ( -1.243 4.886 -8.959) 10.280 2.936 ( 1.370 2.457 -1.483) 3.181 2.979 ( -4.009 1.204 -0.609) 4.230 3.017 ( -4.976 2.111 0.841) 5.471 3.071 ( -3.817 -5.719 -0.203) 6.879 3.162 ( 2.334 -1.042 0.054) 2.556 3.238 ( 3.790 0.353 0.234) 3.814 3.265 ( 1.916 -2.502 -0.875) 3.270 3.348 ( -4.065 -4.327 -7.629) 9.667 3.411 ( 0.078 -2.577 -0.601) 2.647 3.444 ( 0.479 -2.140 -2.824) 3.575 3.508 ( -1.524 2.006 2.930) 3.865 3.542 ( -3.847 -3.959 1.299) 5.671 3.609 ( 2.099 0.990 -2.605) 3.489 3.682 ( 0.624 2.420 1.477) 2.903 3.753 ( 4.256 1.518 0.492) 4.546 3.790 ( 2.779 2.233 0.463) 3.595 3.819 ( 0.351 -2.277 1.511) 2.755 3.889 ( -0.653 1.234 -2.530) 2.890 3.931 ( -2.616 -3.748 -1.837) 4.926 3.995 ( -2.231 1.664 0.332) 2.803 4.014 ( 5.155 0.541 -1.543) 5.408 4.098 ( -0.045 -3.771 0.908) 3.879 4.162 ( -1.330 1.176 0.124) 1.780 4.237 ( -7.754 -6.740 -1.402) 10.369 4.285 ( -2.139 6.507 -0.858) 6.903 4.364 ( 1.931 -2.069 -0.626) 2.899 4.382 ( -4.031 4.136 0.206) 5.779 4.510 ( 2.493 -0.685 -1.074) 2.800 4.591 ( 0.152 -4.803 0.471) 4.828 4.653 ( 3.233 4.360 -4.441) 7.013 4.669 ( 4.740 -1.355 -4.033) 6.370 4.756 ( 1.816 3.862 1.588) 4.553 4.901 ( -3.207 -0.222 2.499) 4.072 5.045 ( 4.325 2.447 -1.891) 5.317 5.060 ( 1.730 1.666 0.771) 2.523 5.098 ( -1.179 0.411 -1.021) 1.613 5.171 ( 0.396 3.202 -2.545) 4.109 5.185 ( 1.589 0.735 1.544) 2.334 5.270 ( -2.679 -2.260 2.651) 4.395 5.396 ( -2.211 -5.956 3.060) 7.052 5.413 ( -4.681 0.600 1.710) 5.020 5.439 ( -0.680 -0.055 1.928) 2.045 5.519 ( -0.393 -1.212 1.010) 1.626 5.582 ( 1.905 -1.927 3.429) 4.371 5.600 ( -2.644 0.032 2.564) 3.683 5.669 ( -2.844 -2.904 5.056) 6.487 5.769 ( -4.531 -10.037 4.557) 11.918 5.914 ( 3.353 -3.968 -2.983) 5.990 5.971 ( 2.307 -4.452 -0.002) 5.014 6.049 ( 1.214 -3.150 -0.647) 3.438 6.099 ( 1.827 -4.127 -2.571) 5.194 6.491 ( -0.024 3.880 1.826) 4.288 6.585 ( -0.403 2.001 0.887) 2.225 6.654 ( 0.903 -4.129 -0.866) 4.315 6.695 ( 0.079 -3.414 -1.492) 3.727 8.282 ( 0.434 1.790 0.031) 1.842 8.387 ( 1.036 -4.250 -0.981) 4.483 8.416 ( -0.680 0.505 0.962) 1.282 8.520 ( 0.677 -4.849 -1.477) 5.114 9.235 ( 1.617 0.432 -0.023) 1.674 9.269 ( -0.791 -1.061 0.921) 1.612 9.428 ( 3.255 -0.004 -1.747) 3.694 9.486 ( -1.402 -1.568 -3.858) 4.395 9.872 ( 2.013 2.324 2.750) 4.125 9.963 ( 1.973 -2.469 4.742) 5.698 10.405 ( -7.362 3.297 -5.092) 9.539 10.478 ( -6.050 -0.805 -1.773) 6.356 10.614 ( 4.411 4.155 6.724) 9.051 10.778 ( 2.785 -4.063 2.973) 5.753 10.948 ( -0.557 4.168 0.679) 4.260 10.999 ( 1.109 3.470 3.106) 4.787 11.185 ( -1.796 6.582 -0.840) 6.874 11.399 ( 2.639 1.801 -3.263) 4.567 11.497 ( -2.603 -3.546 -2.320) 4.973 11.543 ( -1.009 -7.390 -2.408) 7.837 18.816 ( -1.683 2.654 1.526) 3.493 18.904 ( -1.945 -1.196 1.854) 2.941 19.130 ( 0.561 3.917 -3.094) 5.023 19.218 ( -1.604 4.732 -2.074) 5.410 19.349 ( -0.204 -3.007 -2.474) 3.900 19.487 ( -2.836 -4.788 -4.395) 7.091 19.576 ( 0.819 2.141 0.407) 2.329 19.734 ( -2.535 -4.306 -4.250) 6.560 19.807 ( 6.000 3.636 7.448) 10.232 19.981 ( 5.193 -7.237 10.772) 13.978 20.490 ( -2.048 4.073 -2.635) 5.266 20.585 ( 0.809 -1.074 -1.422) 1.957 20.756 ( -0.633 1.183 0.906) 1.619 20.810 ( 0.191 -1.141 0.643) 1.324 20.927 ( -0.961 3.420 -0.918) 3.670 21.093 ( -0.339 -4.152 -2.516) 4.867 ======================= Grid point 63 (34/65) ======================= q-point: (-0.40 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -7.496 11.171 13.677) 19.185 1.431 ( -10.874 6.569 4.842) 13.595 1.458 ( -5.437 -2.143 14.276) 15.426 1.736 ( 0.042 -2.018 7.912) 8.166 1.930 ( 8.147 5.414 3.021) 10.238 1.995 ( 0.764 5.396 6.664) 8.609 2.108 ( 3.932 5.773 -9.738) 11.983 2.209 ( 6.670 1.715 4.409) 8.178 2.247 ( 3.835 4.609 4.282) 7.368 2.336 ( 2.451 2.468 1.264) 3.701 2.420 ( 0.099 9.302 -6.074) 11.110 2.456 ( -1.323 -2.161 0.298) 2.551 2.540 ( 1.395 4.723 -0.214) 4.929 2.554 ( 2.368 2.999 1.870) 4.254 2.620 ( -2.359 5.885 2.166) 6.700 2.722 ( -0.328 0.078 -8.690) 8.696 2.828 ( -0.838 1.392 -2.708) 3.158 2.851 ( -3.226 0.239 -4.859) 5.838 2.897 ( 2.040 5.090 -7.496) 9.288 2.951 ( -1.767 -0.165 -0.806) 1.949 3.087 ( -2.482 -2.597 2.866) 4.595 3.173 ( 0.331 -0.317 -2.202) 2.249 3.196 ( -2.058 -7.627 -1.853) 8.114 3.277 ( 3.334 -4.425 -4.906) 7.400 3.320 ( 1.174 0.045 -0.153) 1.185 3.369 ( -4.235 -1.360 -0.748) 4.511 3.391 ( -1.008 -3.698 -1.893) 4.275 3.516 ( 2.078 1.810 0.255) 2.767 3.594 ( 4.367 2.909 2.753) 5.926 3.648 ( -6.348 2.618 -0.609) 6.893 3.701 ( -7.278 -2.608 -9.211) 12.025 3.711 ( 6.102 0.909 1.515) 6.353 3.784 ( -0.950 -3.537 3.610) 5.143 3.826 ( 0.260 3.800 -1.137) 3.975 3.857 ( -0.038 -4.537 -0.293) 4.546 3.874 ( 1.212 0.337 -1.837) 2.227 3.989 ( 2.126 -2.707 -1.485) 3.749 4.035 ( -8.271 -5.602 0.071) 9.989 4.072 ( 5.068 -3.535 -10.156) 11.888 4.142 ( 2.788 -3.088 0.898) 4.256 4.219 ( 2.868 3.317 3.584) 5.663 4.274 ( -0.515 7.342 1.463) 7.504 4.324 ( 1.339 -0.930 -0.979) 1.902 4.441 ( 2.266 2.638 1.691) 3.867 4.549 ( 3.595 1.096 -0.310) 3.771 4.610 ( -0.169 -4.681 -0.286) 4.693 4.657 ( 0.755 3.807 -4.773) 6.152 4.720 ( 2.352 -2.533 -3.531) 4.941 4.853 ( 0.135 -5.057 2.503) 5.645 4.864 ( 3.230 6.591 4.073) 8.395 5.012 ( -4.016 -2.941 -2.805) 5.713 5.088 ( -1.545 1.631 -1.205) 2.550 5.109 ( 3.226 3.646 -1.109) 4.992 5.149 ( -1.259 2.468 1.080) 2.974 5.175 ( -2.032 3.604 0.281) 4.146 5.265 ( -0.823 1.732 0.031) 1.918 5.356 ( -3.859 -1.239 6.659) 7.795 5.415 ( 2.794 -3.459 1.003) 4.558 5.459 ( -1.409 -0.648 3.884) 4.182 5.476 ( -3.001 -0.710 0.231) 3.093 5.568 ( -1.889 -2.914 3.490) 4.924 5.626 ( -0.287 -1.367 4.455) 4.668 5.672 ( -0.946 -4.347 2.657) 5.182 5.745 ( -0.694 -7.271 2.200) 7.628 5.920 ( -1.045 -1.917 -1.607) 2.711 6.028 ( 3.405 -5.288 0.323) 6.298 6.083 ( 0.689 -6.701 -0.478) 6.754 6.095 ( 1.408 -2.095 -2.291) 3.409 6.498 ( -0.947 3.674 2.022) 4.299 6.575 ( -1.117 2.452 0.691) 2.781 6.640 ( -0.660 -3.444 -1.506) 3.816 6.707 ( 1.557 -3.850 -0.934) 4.256 8.285 ( -0.320 1.292 0.321) 1.370 8.364 ( -1.825 -3.221 -1.270) 3.914 8.414 ( 0.229 1.628 0.303) 1.671 8.551 ( 2.326 -5.772 -0.712) 6.263 9.242 ( -1.286 1.162 0.731) 1.881 9.278 ( 1.164 -1.265 0.611) 1.824 9.385 ( -3.011 0.217 -2.955) 4.225 9.519 ( 4.708 -4.723 -3.009) 7.317 9.911 ( -1.641 2.266 4.527) 5.322 10.015 ( -2.412 -2.762 7.723) 8.550 10.235 ( -3.268 2.553 -6.177) 7.440 10.324 ( -4.566 -2.728 -5.409) 7.586 10.802 ( 6.765 4.323 7.867) 11.241 10.916 ( 5.634 -0.483 7.353) 9.276 10.963 ( 1.431 6.034 1.414) 6.360 11.047 ( 1.443 3.779 3.176) 5.143 11.131 ( -1.919 6.081 -2.121) 6.720 11.390 ( -3.468 -0.933 -8.222) 8.972 11.431 ( 1.693 -2.602 -1.500) 3.448 11.477 ( -2.636 -6.745 -3.962) 8.255 18.809 ( -0.227 2.534 1.414) 2.910 18.887 ( -0.791 -0.831 1.210) 1.668 19.117 ( 1.023 3.199 -3.948) 5.183 19.196 ( 0.932 2.493 -1.796) 3.211 19.330 ( 0.098 -1.589 -1.460) 2.160 19.409 ( -1.643 -2.956 -3.500) 4.867 19.597 ( 0.253 0.802 0.776) 1.144 19.684 ( 0.859 -3.378 -3.222) 4.747 20.007 ( 5.771 2.291 11.239) 12.840 20.156 ( 2.944 -5.982 12.535) 14.198 20.409 ( -2.635 6.321 -6.287) 9.296 20.585 ( 0.824 -2.695 -2.458) 3.739 20.755 ( -0.322 1.578 1.296) 2.067 20.819 ( -0.089 -0.916 0.675) 1.141 20.898 ( -0.702 1.504 -1.173) 2.032 21.016 ( -4.105 -3.667 -5.350) 7.676 ======================= Grid point 64 (35/65) ======================= q-point: (-0.20 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -10.417 9.638 16.850) 22.030 1.267 ( -5.883 16.273 3.306) 17.617 1.482 ( -5.453 -4.716 12.883) 14.763 1.743 ( -3.916 -4.103 2.968) 6.401 1.949 ( 0.815 7.391 -4.958) 8.937 2.057 ( -1.861 8.379 2.387) 8.909 2.177 ( -5.878 0.475 -0.698) 5.938 2.253 ( 3.967 3.787 -6.028) 8.149 2.295 ( -1.385 8.841 -1.614) 9.093 2.350 ( 9.520 1.871 -2.546) 10.031 2.420 ( 1.880 6.795 3.356) 7.808 2.465 ( -1.277 2.989 0.200) 3.257 2.508 ( 1.911 0.198 1.089) 2.208 2.601 ( -1.238 7.551 -5.886) 9.654 2.670 ( 0.998 7.092 -3.182) 7.837 2.726 ( 1.302 0.945 -1.430) 2.153 2.774 ( 3.127 -0.296 3.823) 4.948 2.800 ( -1.934 5.527 0.632) 5.890 2.897 ( 0.302 -6.134 0.801) 6.193 3.010 ( 7.411 3.489 1.060) 8.260 3.022 ( -1.253 -2.734 -1.702) 3.455 3.132 ( 0.361 -1.872 1.655) 2.524 3.211 ( -2.905 -8.657 -2.444) 9.453 3.236 ( -4.548 -1.430 -3.539) 5.937 3.282 ( 2.057 -0.649 -7.319) 7.630 3.368 ( -0.452 1.460 -1.689) 2.278 3.379 ( 2.160 0.173 -0.530) 2.231 3.522 ( 0.012 -2.494 -0.225) 2.505 3.542 ( -1.667 -5.266 -3.031) 6.301 3.594 ( 0.086 8.106 3.474) 8.820 3.661 ( 1.228 1.633 -1.492) 2.530 3.710 ( -3.087 -2.004 -1.381) 3.931 3.806 ( -4.505 -1.338 3.912) 6.115 3.859 ( 4.551 2.781 -2.543) 5.909 3.880 ( -0.445 -5.418 3.572) 6.504 3.939 ( 7.190 -5.489 -0.002) 9.046 3.975 ( 2.371 2.664 0.825) 3.660 4.026 ( 2.315 -6.026 -2.175) 6.812 4.082 ( 4.294 -4.609 -8.684) 10.728 4.172 ( -1.253 -2.957 -0.408) 3.237 4.268 ( 2.398 4.742 -0.327) 5.324 4.331 ( 2.328 1.249 4.840) 5.514 4.386 ( 4.040 2.190 1.446) 4.817 4.485 ( 1.350 0.118 -2.049) 2.457 4.553 ( -3.767 -1.486 -1.312) 4.256 4.600 ( -0.218 -2.226 0.254) 2.251 4.658 ( 5.611 1.292 -2.865) 6.432 4.710 ( -1.794 -2.016 0.045) 2.699 4.833 ( -1.576 -4.610 -2.127) 5.316 4.924 ( -1.491 -1.365 0.110) 2.024 4.989 ( 0.399 2.495 -0.855) 2.667 5.022 ( -0.727 3.059 0.955) 3.286 5.082 ( -6.387 0.853 2.014) 6.751 5.140 ( -2.064 4.567 2.729) 5.707 5.170 ( 3.597 1.799 -2.807) 4.905 5.252 ( 0.406 3.032 -2.466) 3.929 5.334 ( -3.261 -0.767 5.949) 6.828 5.414 ( -3.406 0.350 8.185) 8.872 5.438 ( -3.505 0.633 1.964) 4.067 5.495 ( 2.817 0.705 -1.124) 3.113 5.602 ( 1.752 -5.479 2.825) 6.409 5.661 ( -0.076 -5.145 2.831) 5.873 5.675 ( 0.174 -2.141 3.566) 4.163 5.742 ( 0.476 -1.148 -1.864) 2.240 5.871 ( -2.136 -2.105 -0.978) 3.155 6.020 ( -4.056 -1.502 -2.048) 4.785 6.097 ( 2.789 -10.992 -0.933) 11.378 6.136 ( 1.801 -5.236 -1.035) 5.633 6.484 ( -1.910 3.627 2.071) 4.592 6.564 ( -0.336 3.320 0.254) 3.347 6.628 ( 0.368 -3.205 -0.638) 3.289 6.723 ( 0.705 -3.247 -1.016) 3.475 8.282 ( 0.097 0.637 -0.169) 0.666 8.325 ( -0.962 -1.710 -0.942) 2.176 8.425 ( 0.522 2.063 0.001) 2.128 8.570 ( 0.457 -6.074 -1.519) 6.277 9.225 ( -0.213 0.883 -0.844) 1.240 9.292 ( -0.968 -3.195 -0.068) 3.339 9.320 ( -1.020 3.075 -1.035) 3.401 9.574 ( 3.355 -8.031 -3.573) 9.408 9.874 ( -4.080 0.935 3.309) 5.336 9.950 ( -8.315 -2.625 4.650) 9.882 10.216 ( 2.694 2.313 0.023) 3.550 10.297 ( 2.527 -2.898 2.209) 4.434 10.931 ( 1.519 6.150 1.368) 6.481 10.949 ( -0.638 8.119 -0.690) 8.174 11.059 ( 1.635 5.409 3.042) 6.418 11.098 ( 0.066 3.545 0.177) 3.550 11.155 ( 4.052 -3.290 2.931) 5.986 11.245 ( -2.050 3.454 -7.932) 8.890 11.399 ( -1.199 -3.648 -1.008) 3.971 11.476 ( 2.248 -6.909 -0.117) 7.267 18.825 ( 0.344 2.608 2.014) 3.313 18.894 ( 0.054 -0.419 1.996) 2.040 19.116 ( 2.117 3.528 -4.001) 5.739 19.229 ( 3.170 -0.231 -0.048) 3.179 19.338 ( 0.962 -0.856 0.805) 1.519 19.371 ( -0.312 -2.152 -1.699) 2.760 19.592 ( -0.607 1.761 -0.095) 1.865 19.710 ( 3.008 -3.456 -1.889) 4.956 20.099 ( -3.795 0.486 -1.037) 3.964 20.215 ( -3.708 -3.354 3.320) 6.002 20.377 ( 3.878 5.803 0.244) 6.984 20.586 ( 0.963 -3.997 -1.903) 4.531 20.768 ( 0.093 1.318 2.809) 3.104 20.814 ( -0.380 -0.207 -0.428) 0.609 20.885 ( -1.062 -0.492 -0.567) 1.301 20.909 ( -1.714 -0.971 -0.218) 1.982 ======================= Grid point 65 (36/65) ======================= q-point: ( 0.00 -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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -6.167 -7.214 14.600) 17.414 1.330 ( -6.167 7.214 14.600) 17.414 1.467 ( -4.451 -11.885 -2.935) 13.026 1.467 ( -4.451 11.885 -2.935) 13.026 2.055 ( -3.765 -3.678 1.106) 5.378 2.055 ( -3.765 3.678 1.106) 5.378 2.162 ( 0.764 -6.316 -5.139) 8.179 2.162 ( 0.764 6.316 -5.139) 8.179 2.294 ( -5.373 -4.031 -5.999) 9.006 2.294 ( -5.373 4.031 -5.999) 9.006 2.533 ( 1.870 -5.975 3.272) 7.064 2.533 ( 1.870 5.975 3.272) 7.064 2.623 ( 0.097 -4.436 -3.352) 5.561 2.623 ( 0.097 4.436 -3.352) 5.561 2.708 ( -0.531 -0.951 -0.520) 1.207 2.708 ( -0.531 0.951 -0.520) 1.207 2.923 ( 1.623 -3.856 -0.748) 4.250 2.923 ( 1.623 3.856 -0.748) 4.250 2.986 ( 5.068 -11.202 -0.942) 12.331 2.986 ( 5.068 11.202 -0.942) 12.331 3.033 ( 2.913 -3.936 0.714) 4.949 3.033 ( 2.913 3.936 0.714) 4.949 3.233 ( 4.467 -4.523 1.754) 6.595 3.233 ( 4.467 4.523 1.754) 6.595 3.356 ( 2.016 -4.406 -0.634) 4.887 3.356 ( 2.016 4.406 -0.634) 4.887 3.472 ( -0.310 -8.442 -1.956) 8.671 3.472 ( -0.310 8.442 -1.956) 8.671 3.516 ( 3.424 -8.356 -1.966) 9.242 3.516 ( 3.424 8.356 -1.966) 9.242 3.669 ( -3.454 -4.536 -3.989) 6.958 3.669 ( -3.454 4.536 -3.989) 6.958 3.810 ( 0.060 -2.472 7.437) 7.838 3.810 ( 0.060 2.472 7.437) 7.838 3.864 ( -0.457 -3.691 -1.135) 3.889 3.864 ( -0.457 3.691 -1.135) 3.889 4.057 ( -2.382 -1.588 0.571) 2.919 4.057 ( -2.382 1.588 0.571) 2.919 4.173 ( 6.711 -6.085 -3.711) 9.790 4.173 ( 6.711 6.085 -3.711) 9.790 4.312 ( -1.934 -3.692 0.246) 4.175 4.312 ( -1.934 3.692 0.246) 4.175 4.440 ( -4.040 -0.261 0.814) 4.129 4.440 ( -4.040 0.261 0.814) 4.129 4.526 ( 1.118 -4.152 -1.424) 4.530 4.526 ( 1.118 4.152 -1.424) 4.530 4.706 ( -2.385 -4.087 3.264) 5.748 4.706 ( -2.385 4.087 3.264) 5.748 4.859 ( 0.986 -6.567 1.362) 6.779 4.859 ( 0.986 6.567 1.362) 6.779 4.975 ( 0.666 -2.297 -1.029) 2.604 4.975 ( 0.666 2.297 -1.029) 2.604 5.124 ( 1.168 -5.199 -0.068) 5.329 5.124 ( 1.168 5.199 -0.068) 5.329 5.268 ( -2.409 -4.759 -0.279) 5.342 5.268 ( -2.409 4.759 -0.279) 5.342 5.357 ( -0.501 -1.676 6.358) 6.595 5.357 ( -0.501 1.676 6.358) 6.595 5.487 ( -0.840 -5.809 0.615) 5.902 5.487 ( -0.840 5.809 0.615) 5.902 5.579 ( 1.104 -5.869 0.914) 6.041 5.579 ( 1.104 5.869 0.914) 6.041 5.750 ( -0.839 -4.123 -4.702) 6.310 5.750 ( -0.839 4.123 -4.702) 6.310 5.840 ( 0.663 -4.566 2.111) 5.074 5.840 ( 0.663 4.566 2.111) 5.074 6.026 ( -1.217 -5.564 -2.252) 6.124 6.026 ( -1.217 5.564 -2.252) 6.124 6.554 ( -0.411 -4.412 0.876) 4.516 6.554 ( -0.411 4.412 0.876) 4.516 6.650 ( 0.009 -4.710 -0.330) 4.721 6.650 ( 0.009 4.710 -0.330) 4.721 8.299 ( 0.553 -1.031 -0.640) 1.333 8.299 ( 0.553 1.031 -0.640) 1.333 8.469 ( -0.295 -3.245 -1.135) 3.450 8.469 ( -0.295 3.245 -1.135) 3.450 9.230 ( 0.070 -0.853 -1.524) 1.748 9.230 ( 0.070 0.853 -1.524) 1.748 9.439 ( 1.509 -7.416 -1.122) 7.651 9.439 ( 1.509 7.416 -1.122) 7.651 9.841 ( -2.472 -0.188 2.816) 3.752 9.841 ( -2.472 0.188 2.816) 3.752 10.341 ( 2.695 -2.503 7.077) 7.976 10.341 ( 2.695 2.503 7.077) 7.976 10.963 ( -4.576 -1.911 -7.946) 9.366 10.963 ( -4.576 1.911 -7.946) 9.366 11.043 ( -2.354 -3.663 -2.452) 4.997 11.043 ( -2.354 3.663 -2.452) 4.997 11.300 ( 3.522 -6.307 3.947) 8.232 11.300 ( 3.522 6.307 3.947) 8.232 11.407 ( 1.951 -2.388 1.470) 3.415 11.407 ( 1.951 2.388 1.470) 3.415 18.889 ( -0.562 -1.877 3.105) 3.671 18.889 ( -0.562 1.877 3.105) 3.671 19.224 ( 2.474 -5.024 -2.543) 6.151 19.224 ( 2.474 5.024 -2.543) 6.151 19.365 ( 1.532 -0.681 2.940) 3.385 19.365 ( 1.532 0.681 2.940) 3.385 19.659 ( 0.671 -4.999 -0.187) 5.048 19.659 ( 0.671 4.999 -0.187) 5.048 19.978 ( -7.780 -4.634 -9.097) 12.836 19.978 ( -7.780 4.634 -9.097) 12.836 20.543 ( 1.893 -2.879 0.928) 3.569 20.543 ( 1.893 2.879 0.928) 3.569 20.792 ( -0.624 -1.008 0.825) 1.445 20.792 ( -0.624 1.008 0.825) 1.445 20.924 ( 2.407 -0.736 3.437) 4.260 20.924 ( 2.407 0.736 3.437) 4.260 ======================= Grid point 67 (37/65) ======================= q-point: ( 0.20 -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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -5.412 -2.281 14.725) 15.853 1.330 ( -5.412 2.281 14.725) 15.853 1.454 ( 5.119 -3.630 1.551) 6.464 1.454 ( 5.119 3.630 1.551) 6.464 1.916 ( -8.811 -7.083 -4.476) 12.159 1.916 ( -8.811 7.083 -4.476) 12.159 2.158 ( 2.698 -8.733 0.403) 9.149 2.158 ( 2.698 8.733 0.403) 9.149 2.263 ( 2.965 -1.755 -0.774) 3.532 2.263 ( 2.965 1.755 -0.774) 3.532 2.472 ( -3.206 -4.984 -4.380) 7.369 2.472 ( -3.206 4.984 -4.380) 7.369 2.607 ( -0.951 -3.958 -1.856) 4.474 2.607 ( -0.951 3.958 -1.856) 4.474 2.753 ( 0.341 -5.631 1.330) 5.796 2.753 ( 0.341 5.631 1.330) 5.796 2.939 ( 3.426 -3.896 -2.423) 5.726 2.939 ( 3.426 3.896 -2.423) 5.726 3.042 ( -0.617 -5.944 3.947) 7.161 3.042 ( -0.617 5.944 3.947) 7.161 3.117 ( 4.926 -5.072 -5.419) 8.908 3.117 ( 4.926 5.072 -5.419) 8.908 3.234 ( -3.170 -3.043 -0.390) 4.412 3.234 ( -3.170 3.043 -0.390) 4.412 3.376 ( -1.444 -4.369 -4.754) 6.616 3.376 ( -1.444 4.369 -4.754) 6.616 3.438 ( 1.653 -6.762 -0.346) 6.969 3.438 ( 1.653 6.762 -0.346) 6.969 3.565 ( -0.162 -4.248 -3.686) 5.627 3.565 ( -0.162 4.248 -3.686) 5.627 3.685 ( 7.582 -1.863 0.923) 7.862 3.685 ( 7.582 1.863 0.923) 7.862 3.822 ( -2.494 -8.453 6.530) 10.969 3.822 ( -2.494 8.453 6.530) 10.969 3.873 ( -1.896 -2.629 3.749) 4.956 3.873 ( -1.896 2.629 3.749) 4.956 3.984 ( -1.566 -0.401 -0.344) 1.653 3.984 ( -1.566 0.401 -0.344) 1.653 4.213 ( -2.113 -6.478 -6.476) 9.401 4.213 ( -2.113 6.478 -6.476) 9.401 4.294 ( 2.174 -4.609 -0.886) 5.173 4.294 ( 2.174 4.609 -0.886) 5.173 4.401 ( -1.574 -0.989 4.019) 4.429 4.401 ( -1.574 0.989 4.019) 4.429 4.529 ( -0.115 -3.713 -0.168) 3.718 4.529 ( -0.115 3.713 -0.168) 3.718 4.649 ( -2.665 -3.152 -1.246) 4.312 4.649 ( -2.665 3.152 -1.246) 4.312 4.876 ( 0.982 -7.852 1.164) 7.998 4.876 ( 0.982 7.852 1.164) 7.998 5.037 ( 3.430 -1.263 -0.219) 3.662 5.037 ( 3.430 1.263 -0.219) 3.662 5.152 ( 0.223 -4.778 -0.489) 4.809 5.152 ( 0.223 4.778 -0.489) 4.809 5.213 ( -1.709 -6.080 0.537) 6.339 5.213 ( -1.709 6.080 0.537) 6.339 5.399 ( 0.030 -5.227 3.683) 6.394 5.399 ( 0.030 5.227 3.683) 6.394 5.475 ( -1.913 -1.524 0.993) 2.640 5.475 ( -1.913 1.524 0.993) 2.640 5.590 ( 0.013 -6.678 1.473) 6.838 5.590 ( 0.013 6.678 1.473) 6.838 5.678 ( -3.205 -4.279 1.020) 5.443 5.678 ( -3.205 4.279 1.020) 5.443 5.876 ( 0.392 -3.400 -0.478) 3.456 5.876 ( 0.392 3.400 -0.478) 3.456 6.005 ( 2.021 -3.346 -2.719) 4.761 6.005 ( 2.021 3.346 -2.719) 4.761 6.557 ( 0.140 -4.355 0.860) 4.442 6.557 ( 0.140 4.355 0.860) 4.442 6.644 ( -0.346 -3.958 -0.363) 3.990 6.644 ( -0.346 3.958 -0.363) 3.990 8.307 ( 0.853 -1.883 -0.429) 2.111 8.307 ( 0.853 1.883 -0.429) 2.111 8.457 ( -0.226 -3.056 -0.949) 3.208 8.457 ( -0.226 3.056 -0.949) 3.208 9.232 ( 1.175 -1.426 -1.162) 2.183 9.232 ( 1.175 1.426 -1.162) 2.183 9.456 ( 1.082 -5.271 -1.573) 5.606 9.456 ( 1.082 5.271 -1.573) 5.606 9.855 ( 1.419 -1.721 2.704) 3.505 9.855 ( 1.419 1.721 2.704) 3.505 10.450 ( 2.011 -2.601 9.036) 9.616 10.450 ( 2.011 2.601 9.036) 9.616 10.779 ( -7.287 -2.648 -8.160) 11.256 10.779 ( -7.287 2.648 -8.160) 11.256 10.997 ( -0.727 -0.985 -0.926) 1.535 10.997 ( -0.727 0.985 -0.926) 1.535 11.365 ( 0.796 -9.235 1.619) 9.409 11.365 ( 0.796 9.235 1.619) 9.409 11.448 ( 1.344 -3.939 0.058) 4.163 11.448 ( 1.344 3.939 0.058) 4.163 18.888 ( -1.945 -2.220 2.927) 4.157 18.888 ( -1.945 2.220 2.927) 4.157 19.235 ( 1.070 -5.263 -3.467) 6.393 19.235 ( 1.070 5.263 -3.467) 6.393 19.412 ( -0.500 -4.311 2.760) 5.143 19.412 ( -0.500 4.311 2.760) 5.143 19.672 ( 0.160 -6.218 0.848) 6.278 19.672 ( 0.160 6.218 0.848) 6.278 19.803 ( -1.931 -2.457 -5.628) 6.437 19.803 ( -1.931 2.457 -5.628) 6.437 20.564 ( 0.317 -1.287 -0.499) 1.416 20.564 ( 0.317 1.287 -0.499) 1.416 20.786 ( -0.608 -1.270 0.733) 1.588 20.786 ( -0.608 1.270 0.733) 1.588 20.994 ( 1.927 -3.576 1.843) 4.461 20.994 ( 1.927 3.576 1.843) 4.461 ======================= Grid point 69 (38/65) ======================= q-point: ( 0.40 -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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -4.277 -3.692 18.581) 19.421 1.372 ( -4.277 3.692 18.581) 19.421 1.609 ( 2.575 -4.218 5.623) 7.486 1.609 ( 2.575 4.218 5.623) 7.486 1.802 ( 3.743 -2.057 1.418) 4.500 1.802 ( 3.743 2.057 1.418) 4.500 2.220 ( 0.603 -11.699 3.522) 12.232 2.220 ( 0.603 11.699 3.522) 12.232 2.305 ( 0.603 -5.262 -6.370) 8.284 2.305 ( 0.603 5.262 -6.370) 8.284 2.409 ( 2.599 -5.243 -0.862) 5.915 2.409 ( 2.599 5.243 -0.862) 5.915 2.583 ( -1.826 -6.098 0.978) 6.440 2.583 ( -1.826 6.098 0.978) 6.440 2.740 ( 0.949 -3.945 -2.670) 4.857 2.740 ( 0.949 3.945 -2.670) 4.857 2.935 ( -1.219 -3.456 -8.017) 8.815 2.935 ( -1.219 3.456 -8.017) 8.815 3.022 ( -2.917 -2.296 1.446) 3.984 3.022 ( -2.917 2.296 1.446) 3.984 3.102 ( -1.556 -5.602 -3.150) 6.613 3.102 ( -1.556 5.602 -3.150) 6.613 3.218 ( 1.224 -1.998 -0.605) 2.420 3.218 ( 1.224 1.998 -0.605) 2.420 3.317 ( -1.718 -3.977 -2.813) 5.165 3.317 ( -1.718 3.977 -2.813) 5.165 3.439 ( 0.297 -3.668 -1.110) 3.844 3.439 ( 0.297 3.668 -1.110) 3.844 3.578 ( 3.882 -2.489 -1.641) 4.895 3.578 ( 3.882 2.489 -1.641) 4.895 3.755 ( -0.686 -3.869 1.827) 4.333 3.755 ( -0.686 3.869 1.827) 4.333 3.825 ( -2.243 -5.620 3.239) 6.864 3.825 ( -2.243 5.620 3.239) 6.864 3.873 ( 1.790 -3.380 -5.737) 6.895 3.873 ( 1.790 3.380 -5.737) 6.895 4.023 ( 2.890 -1.002 -1.367) 3.351 4.023 ( 2.890 1.002 -1.367) 3.351 4.082 ( -4.662 -3.892 -1.194) 6.189 4.082 ( -4.662 3.892 -1.194) 6.189 4.282 ( -4.337 -4.819 -0.644) 6.516 4.282 ( -4.337 4.819 -0.644) 6.516 4.417 ( 1.688 -5.270 3.335) 6.461 4.417 ( 1.688 5.270 3.335) 6.461 4.539 ( 1.216 -1.972 1.591) 2.811 4.539 ( 1.216 1.972 1.591) 2.811 4.653 ( 3.975 -2.021 -4.186) 6.116 4.653 ( 3.975 2.021 -4.186) 6.116 4.897 ( -0.765 -4.452 2.421) 5.125 4.897 ( -0.765 4.452 2.421) 5.125 5.072 ( -1.353 -3.273 -2.745) 4.481 5.072 ( -1.353 3.273 -2.745) 4.481 5.114 ( 2.367 -3.701 -0.524) 4.424 5.114 ( 2.367 3.701 -0.524) 4.424 5.231 ( 0.184 -5.032 2.112) 5.460 5.231 ( 0.184 5.032 2.112) 5.460 5.370 ( -4.829 -6.733 4.280) 9.325 5.370 ( -4.829 6.733 4.280) 9.325 5.471 ( 0.371 -3.652 0.704) 3.738 5.471 ( 0.371 3.652 0.704) 3.738 5.595 ( 0.244 -3.517 0.848) 3.626 5.595 ( 0.244 3.517 0.848) 3.626 5.655 ( -3.663 -0.478 5.861) 6.928 5.655 ( -3.663 0.478 5.861) 6.928 5.872 ( 1.309 -4.225 -1.216) 4.587 5.872 ( 1.309 4.225 -1.216) 4.587 6.041 ( 2.695 -2.109 -2.322) 4.135 6.041 ( 2.695 2.109 -2.322) 4.135 6.570 ( 0.296 -4.315 0.700) 4.381 6.570 ( 0.296 4.315 0.700) 4.381 6.635 ( -0.241 -2.886 -0.319) 2.914 6.635 ( -0.241 2.886 -0.319) 2.914 8.323 ( 0.666 -2.601 -0.312) 2.703 8.323 ( 0.666 2.601 -0.312) 2.703 8.447 ( 0.041 -2.764 -0.252) 2.776 8.447 ( 0.041 2.764 -0.252) 2.776 9.251 ( 1.139 -1.007 -0.363) 1.564 9.251 ( 1.139 1.007 -0.363) 1.564 9.451 ( 0.272 -1.979 -2.853) 3.483 9.451 ( 0.272 1.979 -2.853) 3.483 9.918 ( 1.972 -2.414 3.932) 5.017 9.918 ( 1.972 2.414 3.932) 5.017 10.453 ( -7.178 -1.857 -3.375) 8.146 10.453 ( -7.178 1.857 -3.375) 8.146 10.695 ( 3.692 -4.391 5.190) 7.736 10.695 ( 3.692 4.392 5.190) 7.736 11.003 ( 0.892 -1.745 1.812) 2.669 11.003 ( 0.892 1.745 1.812) 2.669 11.354 ( -1.582 -9.723 -1.999) 10.052 11.354 ( -1.582 9.723 -1.999) 10.052 11.451 ( -0.125 -3.290 -2.386) 4.066 11.451 ( -0.125 3.290 -2.386) 4.066 18.866 ( -1.995 -2.481 2.061) 3.792 18.866 ( -1.995 2.481 2.061) 3.792 19.215 ( 0.375 -4.373 -5.053) 6.693 19.215 ( 0.375 4.373 -5.053) 6.693 19.381 ( -2.036 -5.589 -1.055) 6.041 19.381 ( -2.036 5.589 -1.055) 6.041 19.643 ( -1.062 -4.634 -2.278) 5.272 19.643 ( -1.062 4.634 -2.278) 5.272 19.880 ( 5.476 -4.146 9.320) 11.578 19.880 ( 5.476 4.146 9.320) 11.578 20.552 ( -0.440 -2.464 -2.250) 3.366 20.552 ( -0.440 2.464 -2.250) 3.366 20.783 ( -0.256 -1.565 0.853) 1.801 20.783 ( -0.256 1.565 0.853) 1.801 21.006 ( -0.814 -4.676 -1.795) 5.074 21.006 ( -0.814 4.676 -1.795) 5.074 ======================= Grid point 71 (39/65) ======================= q-point: (-0.40 -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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -7.457 -3.900 17.413) 19.339 1.402 ( -7.457 3.900 17.413) 19.339 1.611 ( -3.283 -9.899 6.178) 12.122 1.611 ( -3.283 9.899 6.178) 12.122 2.031 ( 8.213 -4.007 9.341) 13.068 2.031 ( 8.213 4.007 9.341) 13.068 2.182 ( -1.186 -1.960 -7.740) 8.072 2.182 ( -1.186 1.960 -7.740) 8.072 2.305 ( 2.990 -6.020 5.614) 8.758 2.305 ( 2.990 6.020 5.614) 8.758 2.490 ( 1.758 -4.514 -1.880) 5.196 2.490 ( 1.758 4.514 -1.880) 5.196 2.563 ( 1.277 -2.055 0.402) 2.453 2.563 ( 1.277 2.055 0.402) 2.453 2.737 ( -0.717 -1.916 -3.875) 4.382 2.737 ( -0.717 1.916 -3.875) 4.382 2.842 ( -0.813 -3.120 -5.290) 6.195 2.842 ( -0.813 3.120 -5.290) 6.195 2.980 ( -0.001 -2.183 -3.948) 4.512 2.980 ( -0.001 2.183 -3.948) 4.512 3.054 ( -1.186 -1.111 -0.854) 1.836 3.054 ( -1.186 1.111 -0.854) 1.836 3.225 ( 1.007 -1.611 -4.890) 5.246 3.225 ( 1.007 1.611 -4.890) 5.246 3.275 ( 0.902 -4.142 -1.344) 4.447 3.275 ( 0.902 4.142 -1.344) 4.447 3.456 ( -0.157 -5.708 0.572) 5.739 3.456 ( -0.157 5.708 0.572) 5.739 3.650 ( 1.840 -2.170 -1.632) 3.280 3.650 ( 1.840 2.170 -1.632) 3.280 3.714 ( -7.681 -4.595 0.730) 8.981 3.714 ( -7.681 4.595 0.730) 8.981 3.771 ( 2.595 -3.025 -5.961) 7.171 3.771 ( 2.595 3.025 -5.961) 7.171 3.842 ( 0.879 -0.230 1.300) 1.587 3.842 ( 0.879 0.230 1.300) 1.587 3.979 ( -0.850 -0.858 -4.676) 4.829 3.979 ( -0.850 0.858 -4.676) 4.829 4.086 ( 1.592 -2.796 -1.297) 3.469 4.086 ( 1.592 2.796 -1.297) 3.469 4.277 ( 2.861 -2.474 2.875) 4.751 4.277 ( 2.861 2.474 2.875) 4.751 4.459 ( -0.451 -7.855 3.304) 8.534 4.459 ( -0.451 7.855 3.304) 8.534 4.567 ( 0.208 -4.050 -0.623) 4.103 4.567 ( 0.208 4.050 -0.623) 4.103 4.681 ( 2.050 -2.643 -3.483) 4.829 4.681 ( 2.050 2.643 -3.483) 4.829 4.868 ( -4.064 -7.505 3.092) 9.077 4.868 ( -4.064 7.505 3.092) 9.077 5.046 ( 1.626 -6.393 -2.104) 6.924 5.046 ( 1.626 6.393 -2.104) 6.924 5.170 ( -0.232 -2.136 0.213) 2.159 5.170 ( -0.232 2.136 0.213) 2.159 5.244 ( 1.263 -5.880 1.388) 6.172 5.244 ( 1.263 5.880 1.388) 6.172 5.344 ( -1.392 -4.764 5.712) 7.567 5.344 ( -1.392 4.764 5.712) 7.567 5.461 ( -1.119 -1.488 0.815) 2.032 5.461 ( -1.119 1.488 0.815) 2.032 5.601 ( -4.670 -4.282 2.646) 6.866 5.601 ( -4.670 4.282 2.646) 6.866 5.640 ( 2.808 -3.402 1.899) 4.802 5.640 ( 2.808 3.402 1.899) 4.802 5.899 ( 1.134 -2.461 -0.410) 2.741 5.899 ( 1.134 2.461 -0.410) 2.741 6.058 ( 0.769 -1.402 -1.704) 2.337 6.058 ( 0.769 1.402 -1.704) 2.337 6.569 ( -0.829 -3.702 0.600) 3.841 6.569 ( -0.829 3.702 0.600) 3.841 6.637 ( 0.623 -3.502 -0.183) 3.562 6.637 ( 0.623 3.502 -0.183) 3.562 8.315 ( -0.924 -1.950 -0.436) 2.202 8.315 ( -0.924 1.950 -0.436) 2.202 8.462 ( 1.313 -3.554 0.016) 3.789 8.462 ( 1.313 3.554 0.016) 3.789 9.261 ( -0.030 -0.827 -0.092) 0.832 9.261 ( -0.030 0.827 -0.092) 0.832 9.432 ( 0.377 -4.122 -3.297) 5.292 9.432 ( 0.377 4.122 -3.297) 5.292 9.962 ( -2.387 -2.871 6.237) 7.269 9.962 ( -2.387 2.871 6.237) 7.269 10.278 ( -4.257 -2.200 -5.793) 7.518 10.278 ( -4.257 2.200 -5.793) 7.518 10.876 ( 7.623 -3.273 8.140) 11.623 10.876 ( 7.623 3.273 8.140) 11.623 11.047 ( 1.334 -2.755 2.695) 4.078 11.047 ( 1.334 2.755 2.695) 4.078 11.288 ( -2.348 -8.881 -4.496) 10.227 11.288 ( -2.348 8.881 -4.496) 10.227 11.412 ( -1.149 -0.930 -3.842) 4.116 11.412 ( -1.149 0.930 -3.842) 4.116 18.855 ( -0.512 -2.212 1.699) 2.835 18.855 ( -0.512 2.212 1.699) 2.835 19.186 ( 1.078 -3.317 -5.140) 6.212 19.186 ( 1.078 3.317 -5.140) 6.212 19.347 ( -0.655 -3.127 -0.990) 3.345 19.347 ( -0.655 3.127 -0.990) 3.345 19.626 ( 0.554 -2.396 -0.992) 2.651 19.626 ( 0.554 2.396 -0.992) 2.651 20.064 ( 3.957 -3.809 12.154) 13.338 20.064 ( 3.957 3.809 12.154) 13.338 20.516 ( -0.513 -4.677 -4.640) 6.608 20.516 ( -0.513 4.677 -4.640) 6.608 20.789 ( -0.075 -1.909 1.322) 2.323 20.789 ( -0.075 1.909 1.322) 2.323 20.947 ( -2.606 -3.389 -3.537) 5.548 20.947 ( -2.606 3.389 -3.537) 5.548 ======================= Grid point 73 (40/65) ======================= q-point: (-0.20 -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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -8.536 -7.002 14.894) 18.540 1.363 ( -8.536 7.002 14.894) 18.540 1.571 ( -5.199 -13.435 3.031) 14.721 1.571 ( -5.199 13.435 3.031) 14.721 2.097 ( -0.851 -5.065 -1.039) 5.240 2.097 ( -0.851 5.065 -1.039) 5.240 2.193 ( 0.130 -8.541 -0.017) 8.542 2.193 ( 0.130 8.541 -0.017) 8.542 2.377 ( 3.080 -5.563 1.485) 6.530 2.377 ( 3.080 5.563 1.485) 6.530 2.482 ( -5.052 -5.716 -6.669) 10.132 2.482 ( -5.052 5.716 -6.669) 10.132 2.592 ( 6.616 -9.262 4.329) 12.177 2.592 ( 6.616 9.262 4.329) 12.177 2.761 ( 1.748 -1.640 0.065) 2.397 2.761 ( 1.748 1.640 0.065) 2.397 2.818 ( 0.873 -8.289 -0.171) 8.336 2.818 ( 0.873 8.289 -0.171) 8.336 2.967 ( 1.625 -9.193 -1.757) 9.499 2.967 ( 1.625 9.193 -1.757) 9.499 3.033 ( -0.584 -4.568 -5.343) 7.054 3.033 ( -0.584 4.568 -5.343) 7.054 3.155 ( 0.207 -3.085 -3.251) 4.486 3.155 ( 0.207 3.085 -3.251) 4.486 3.349 ( 3.226 -5.489 -2.535) 6.853 3.349 ( 3.226 5.489 -2.535) 6.853 3.420 ( 0.199 -3.263 -1.082) 3.444 3.420 ( 0.199 3.263 -1.082) 3.444 3.576 ( -2.782 -9.370 -2.475) 10.083 3.576 ( -2.782 9.370 -2.475) 10.083 3.677 ( 1.730 -2.554 0.705) 3.164 3.677 ( 1.730 2.554 0.705) 3.164 3.823 ( -3.282 -3.829 -0.265) 5.050 3.823 ( -3.282 3.829 -0.265) 5.050 3.858 ( 2.490 -4.447 1.903) 5.441 3.858 ( 2.490 4.447 1.903) 5.441 3.998 ( 5.566 -1.363 -1.171) 5.848 3.998 ( 5.566 1.363 -1.171) 5.848 4.107 ( 2.852 -4.377 -3.171) 6.111 4.107 ( 2.852 4.377 -3.171) 6.111 4.346 ( -0.786 -1.123 3.778) 4.019 4.346 ( -0.786 1.123 3.778) 4.019 4.476 ( 1.144 -7.142 2.288) 7.586 4.476 ( 1.144 7.142 2.288) 7.586 4.521 ( -2.113 -3.360 -3.716) 5.437 4.521 ( -2.113 3.360 -3.716) 5.437 4.697 ( 1.082 -2.694 0.022) 2.903 4.697 ( 1.082 2.694 0.022) 2.903 4.834 ( -0.676 -6.520 0.928) 6.620 4.834 ( -0.676 6.520 0.928) 6.620 5.041 ( -3.357 -1.965 0.104) 3.891 5.041 ( -3.357 1.965 0.104) 3.891 5.123 ( -1.119 -3.091 -1.660) 3.683 5.123 ( -1.119 3.091 -1.660) 3.683 5.278 ( -1.071 -4.277 5.779) 7.269 5.278 ( -1.071 4.277 5.779) 7.269 5.351 ( -2.021 -6.485 2.589) 7.270 5.351 ( -2.021 6.485 2.589) 7.270 5.501 ( 2.798 -4.016 0.327) 4.905 5.501 ( 2.798 4.016 0.327) 4.905 5.536 ( -1.913 -5.818 1.544) 6.316 5.536 ( -1.913 5.818 1.544) 6.316 5.716 ( 4.083 -2.813 -0.210) 4.962 5.716 ( 4.083 2.813 -0.210) 4.962 5.881 ( -2.597 -4.512 -0.986) 5.299 5.881 ( -2.597 4.512 -0.986) 5.299 6.053 ( -0.141 -2.987 -1.245) 3.239 6.053 ( -0.141 2.987 -1.245) 3.239 6.558 ( -0.711 -3.979 0.797) 4.120 6.558 ( -0.711 3.979 0.797) 4.120 6.648 ( 0.512 -4.626 -0.217) 4.660 6.648 ( 0.512 4.626 -0.217) 4.660 8.298 ( -0.175 -1.140 -0.615) 1.307 8.298 ( -0.175 1.140 -0.615) 1.307 8.478 ( 0.290 -3.696 -0.544) 3.747 8.478 ( 0.290 3.696 -0.544) 3.747 9.248 ( -0.744 -1.629 -0.925) 2.015 9.248 ( -0.744 1.629 -0.925) 2.015 9.425 ( 1.107 -7.266 -2.137) 7.654 9.425 ( 1.107 7.266 -2.137) 7.655 9.905 ( -6.271 -2.120 4.047) 7.759 9.905 ( -6.271 2.120 4.047) 7.759 10.254 ( 2.436 -1.879 1.368) 3.367 10.254 ( 2.436 1.879 1.368) 3.367 11.041 ( 2.219 -4.844 0.918) 5.406 11.041 ( 2.219 4.844 0.918) 5.406 11.069 ( 0.643 -4.660 0.216) 4.709 11.069 ( 0.643 4.660 0.216) 4.709 11.229 ( 0.166 -6.141 -1.294) 6.278 11.229 ( 0.166 6.141 -1.294) 6.278 11.377 ( 0.331 -2.933 -1.235) 3.199 11.377 ( 0.331 2.933 -1.235) 3.199 18.869 ( 0.217 -1.963 2.328) 3.053 18.869 ( 0.217 1.963 2.328) 3.053 19.191 ( 2.766 -3.652 -3.419) 5.717 19.191 ( 2.766 3.652 -3.419) 5.717 19.339 ( 0.133 -1.074 0.221) 1.105 19.339 ( 0.133 1.074 0.221) 1.105 19.641 ( 1.395 -3.341 -0.567) 3.665 19.641 ( 1.395 3.341 -0.567) 3.665 20.139 ( -3.674 -3.517 1.884) 5.423 20.139 ( -3.674 3.517 1.884) 5.423 20.495 ( 2.061 -5.693 -1.751) 6.303 20.495 ( 2.061 5.693 -1.751) 6.303 20.795 ( -0.439 -1.459 1.323) 2.018 20.795 ( -0.439 1.459 1.323) 2.018 20.891 ( -0.741 -0.838 -0.385) 1.183 20.891 ( -0.741 0.838 -0.385) 1.183 ======================= Grid point 90 (41/65) ======================= 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( -5.431 0.000 23.233) 23.859 0.965 ( 3.816 0.000 19.398) 19.769 1.183 ( 2.465 0.000 -19.434) 19.590 1.220 ( -4.772 0.000 5.924) 7.607 1.526 ( 0.427 0.000 -9.362) 9.371 1.599 ( 1.523 0.000 4.549) 4.797 1.765 ( 3.241 0.000 12.031) 12.460 1.860 ( 2.501 0.000 4.692) 5.317 1.982 ( -0.953 0.000 -0.323) 1.006 2.109 ( -0.893 0.000 15.030) 15.056 2.180 ( -1.578 0.000 1.195) 1.979 2.318 ( 6.711 0.000 -16.748) 18.043 2.503 ( 8.063 0.000 0.360) 8.071 2.538 ( -7.214 0.000 0.354) 7.223 2.621 ( -2.525 0.000 5.041) 5.638 2.782 ( 0.728 0.000 6.766) 6.805 2.815 ( 0.829 0.000 1.601) 1.803 2.844 ( -1.994 0.000 -9.168) 9.382 2.934 ( -2.000 0.000 -6.122) 6.440 2.944 ( -1.008 0.000 -5.612) 5.702 3.026 ( -0.427 0.000 2.255) 2.295 3.078 ( 1.420 0.000 -0.886) 1.674 3.179 ( 0.473 0.000 -0.608) 0.771 3.193 ( 0.073 0.000 4.686) 4.687 3.316 ( 0.112 0.000 2.184) 2.187 3.370 ( -2.655 0.000 -2.134) 3.406 3.402 ( -0.171 0.000 6.122) 6.125 3.499 ( -4.760 0.000 -3.032) 5.644 3.563 ( 0.288 0.000 -7.479) 7.484 3.599 ( 3.738 0.000 -0.961) 3.860 3.601 ( 3.686 0.000 -3.397) 5.013 3.653 ( -2.569 0.000 -7.712) 8.129 3.770 ( -2.783 0.000 -0.186) 2.789 3.815 ( 3.710 0.000 -5.153) 6.350 4.037 ( -0.024 0.000 6.987) 6.987 4.048 ( 0.916 0.000 1.920) 2.127 4.079 ( -7.674 0.000 1.955) 7.919 4.113 ( 1.508 0.000 -0.591) 1.619 4.126 ( 4.520 0.000 -0.991) 4.628 4.243 ( 2.435 0.000 -6.658) 7.089 4.292 ( 5.597 0.000 2.554) 6.152 4.318 ( -8.317 0.000 -3.362) 8.970 4.418 ( -4.018 0.000 1.774) 4.392 4.543 ( 6.862 0.000 -5.051) 8.520 4.689 ( -5.848 0.000 1.351) 6.002 4.694 ( 1.272 0.000 1.311) 1.827 4.758 ( -2.886 0.000 7.046) 7.614 4.834 ( 2.616 0.000 -1.105) 2.840 4.849 ( 2.139 0.000 -0.609) 2.224 4.889 ( 0.054 0.000 -6.117) 6.117 5.045 ( -0.817 0.000 5.605) 5.664 5.086 ( -4.076 0.000 5.164) 6.579 5.120 ( 3.016 0.000 2.134) 3.695 5.199 ( 2.176 0.000 1.609) 2.707 5.265 ( 4.132 0.000 -3.088) 5.158 5.286 ( 1.406 0.000 -9.136) 9.244 5.441 ( 2.138 0.000 0.299) 2.159 5.446 ( -3.646 0.000 0.560) 3.689 5.580 ( 2.224 0.000 2.904) 3.657 5.629 ( -3.685 0.000 -2.544) 4.478 5.766 ( 0.048 0.000 2.843) 2.843 5.772 ( -3.768 0.000 1.776) 4.166 5.926 ( 0.316 0.000 5.378) 5.387 5.934 ( 0.795 0.000 -0.282) 0.843 5.959 ( -0.021 0.000 -0.202) 0.203 6.010 ( 1.574 0.000 -2.200) 2.705 6.145 ( 0.845 0.000 8.030) 8.075 6.315 ( 4.691 0.000 -5.226) 7.023 6.398 ( 0.763 0.000 1.179) 1.404 6.442 ( -7.540 0.000 -4.424) 8.742 6.614 ( -1.375 0.000 2.343) 2.716 6.657 ( 1.343 0.000 -1.784) 2.233 8.311 ( -7.342 0.000 1.841) 7.569 8.351 ( 6.693 0.000 -1.886) 6.954 8.542 ( 1.203 0.000 9.326) 9.403 8.753 ( -1.311 0.000 -10.394) 10.476 9.383 ( 0.974 0.000 5.170) 5.261 9.480 ( -1.134 0.000 -4.074) 4.229 9.596 ( -2.656 0.000 4.458) 5.189 9.716 ( 0.988 0.000 -7.348) 7.414 9.982 ( -12.458 0.000 0.169) 12.459 9.994 ( 7.432 0.000 -1.089) 7.512 10.083 ( 3.089 0.000 3.390) 4.586 10.166 ( -2.756 0.000 -4.391) 5.184 10.505 ( 1.962 0.000 2.372) 3.078 10.551 ( -2.103 0.000 -1.909) 2.840 10.726 ( -4.711 0.000 7.365) 8.743 10.869 ( 3.649 0.000 -6.299) 7.280 11.167 ( 3.211 0.000 11.471) 11.912 11.373 ( -1.409 0.000 -8.360) 8.478 11.676 ( 7.686 0.000 1.251) 7.787 11.703 ( -2.756 0.000 -1.269) 3.034 18.766 ( -0.760 0.000 1.225) 1.442 18.786 ( 1.221 0.000 -0.720) 1.418 19.042 ( -7.197 0.000 4.578) 8.530 19.149 ( 5.589 0.000 -5.445) 7.803 19.476 ( 1.784 0.000 1.168) 2.132 19.478 ( -3.655 0.000 1.855) 4.099 19.573 ( 3.490 0.000 3.192) 4.730 19.675 ( 1.214 0.000 -5.215) 5.354 20.133 ( -7.303 0.000 2.667) 7.775 20.183 ( 9.328 0.000 -2.394) 9.630 20.474 ( 1.634 0.000 0.690) 1.774 20.493 ( -6.816 0.000 -0.993) 6.888 20.768 ( 1.291 0.000 0.454) 1.369 20.779 ( -1.853 0.000 -0.618) 1.953 20.972 ( -3.063 0.000 1.137) 3.267 21.002 ( 4.964 0.000 -1.754) 5.265 ======================= Grid point 91 (42/65) ======================= q-point: ( 0.20 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 0.792 0.000 18.813) 18.830 1.145 ( 9.059 0.000 -18.884) 20.945 1.219 ( -1.469 0.000 5.603) 5.792 1.309 ( 15.845 0.000 17.683) 23.744 1.505 ( 5.622 0.000 -13.069) 14.227 1.561 ( -4.260 0.000 -9.847) 10.729 1.800 ( -6.792 0.000 -3.717) 7.743 1.938 ( 0.131 0.000 4.865) 4.867 2.064 ( -5.865 0.000 4.808) 7.584 2.135 ( -3.987 0.000 -0.784) 4.064 2.145 ( 10.419 0.000 11.612) 15.601 2.221 ( 9.317 0.000 -21.035) 23.006 2.408 ( -6.639 0.000 3.385) 7.453 2.643 ( -6.819 0.000 -5.788) 8.944 2.671 ( 0.771 0.000 10.036) 10.066 2.672 ( -6.036 0.000 0.618) 6.067 2.805 ( -1.032 0.000 -1.836) 2.106 2.872 ( 10.165 0.000 6.090) 11.850 2.955 ( 2.263 0.000 1.665) 2.810 2.995 ( 7.196 0.000 -3.318) 7.924 3.048 ( 1.535 0.000 -0.809) 1.735 3.089 ( -0.703 0.000 -1.023) 1.241 3.183 ( -4.039 0.000 2.997) 5.029 3.212 ( 0.303 0.000 -6.024) 6.032 3.249 ( -1.842 0.000 -3.477) 3.935 3.283 ( 0.858 0.000 -0.311) 0.913 3.417 ( -4.043 0.000 2.502) 4.754 3.437 ( -4.385 0.000 5.155) 6.768 3.525 ( -4.566 0.000 1.134) 4.705 3.548 ( -2.138 0.000 -5.417) 5.824 3.589 ( -5.541 0.000 -1.605) 5.769 3.649 ( -0.389 0.000 6.459) 6.471 3.686 ( -2.668 0.000 0.302) 2.685 3.829 ( 5.596 0.000 -10.636) 12.019 3.963 ( -2.654 0.000 -0.597) 2.720 3.976 ( -3.766 0.000 0.778) 3.845 4.103 ( -0.313 0.000 2.002) 2.026 4.156 ( -7.772 0.000 0.359) 7.780 4.183 ( 1.676 0.000 7.521) 7.706 4.200 ( 5.771 0.000 -6.430) 8.640 4.339 ( 9.480 0.000 -0.298) 9.485 4.362 ( -1.431 0.000 -0.300) 1.463 4.396 ( -0.527 0.000 4.924) 4.952 4.611 ( 4.405 0.000 -6.215) 7.618 4.628 ( 1.898 0.000 3.178) 3.701 4.697 ( -1.298 0.000 -1.277) 1.821 4.744 ( -4.148 0.000 2.502) 4.845 4.832 ( -2.659 0.000 -1.410) 3.010 4.871 ( 1.839 0.000 2.308) 2.951 4.927 ( 5.386 0.000 -1.720) 5.654 5.027 ( -3.665 0.000 2.790) 4.606 5.079 ( 0.977 0.000 1.964) 2.193 5.173 ( -3.964 0.000 -10.259) 10.998 5.173 ( 0.592 0.000 1.902) 1.992 5.277 ( 4.539 0.000 -2.451) 5.159 5.331 ( 4.222 0.000 -4.777) 6.376 5.396 ( -2.934 0.000 2.863) 4.099 5.494 ( 2.209 0.000 1.166) 2.497 5.523 ( -3.610 0.000 -0.722) 3.682 5.608 ( -1.883 0.000 3.616) 4.077 5.754 ( -0.750 0.000 3.638) 3.714 5.846 ( 4.698 0.000 1.303) 4.875 5.937 ( -0.669 0.000 -0.956) 1.167 5.946 ( 1.195 0.000 -1.849) 2.201 5.968 ( 0.141 0.000 1.358) 1.365 6.010 ( 0.283 0.000 -2.803) 2.817 6.160 ( -3.798 0.000 5.969) 7.075 6.179 ( -6.686 0.000 -6.800) 9.537 6.435 ( 3.803 0.000 0.253) 3.811 6.458 ( 1.276 0.000 3.533) 3.757 6.608 ( -0.916 0.000 2.580) 2.738 6.663 ( 0.593 0.000 -2.060) 2.144 8.255 ( -0.845 0.000 1.487) 1.711 8.532 ( 11.788 0.000 -0.512) 11.799 8.625 ( -0.539 0.000 10.381) 10.395 8.629 ( -2.727 0.000 -10.245) 10.602 9.441 ( 0.360 0.000 5.533) 5.545 9.444 ( 1.350 0.000 -4.376) 4.580 9.573 ( -3.698 0.000 5.820) 6.896 9.677 ( -0.171 0.000 -4.141) 4.144 9.839 ( -3.979 0.000 2.631) 4.770 10.075 ( -2.842 0.000 -5.233) 5.955 10.165 ( 8.124 0.000 4.220) 9.155 10.173 ( 3.174 0.000 3.777) 4.934 10.517 ( 0.660 0.000 -2.320) 2.412 10.570 ( 2.433 0.000 3.017) 3.876 10.694 ( -3.985 0.000 8.385) 9.284 10.869 ( 0.454 0.000 -4.858) 4.879 11.266 ( -2.187 0.000 -11.337) 11.547 11.308 ( 3.149 0.000 7.177) 7.837 11.579 ( -6.619 0.000 -5.526) 8.622 11.726 ( -0.864 0.000 -1.360) 1.611 18.746 ( -1.646 0.000 0.749) 1.808 18.790 ( 0.061 0.000 -1.401) 1.402 19.004 ( -1.600 0.000 6.173) 6.377 19.245 ( 7.384 0.000 -4.341) 8.566 19.410 ( -4.381 0.000 0.205) 4.386 19.512 ( 0.377 0.000 2.258) 2.289 19.584 ( -3.228 0.000 -7.166) 7.860 19.646 ( 1.628 0.000 0.443) 1.687 19.993 ( -7.051 0.000 3.472) 7.859 20.275 ( 0.409 0.000 -4.976) 4.993 20.474 ( 5.011 0.000 3.074) 5.878 20.544 ( 2.516 0.000 3.728) 4.498 20.755 ( -0.566 0.000 -0.621) 0.841 20.819 ( 3.258 0.000 2.031) 3.839 20.907 ( -3.812 0.000 -0.430) 3.836 21.053 ( 2.263 0.000 -2.814) 3.611 ======================= Grid point 92 (43/65) ======================= q-point: ( 0.40 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 0.479 0.000 14.251) 14.259 1.175 ( -8.373 0.000 7.559) 11.280 1.213 ( 2.463 0.000 -10.462) 10.748 1.313 ( -6.396 0.000 -6.665) 9.237 1.531 ( 9.765 0.000 -18.109) 20.574 1.630 ( -3.196 0.000 -10.963) 11.419 1.754 ( 14.545 0.000 15.056) 20.934 1.874 ( -8.647 0.000 3.894) 9.483 1.955 ( -3.230 0.000 -3.231) 4.569 2.134 ( 5.570 0.000 -5.517) 7.839 2.259 ( -4.845 0.000 5.551) 7.368 2.371 ( 15.562 0.000 -8.941) 17.948 2.476 ( 0.693 0.000 3.577) 3.643 2.481 ( -6.472 0.000 2.083) 6.799 2.596 ( -3.332 0.000 3.067) 4.529 2.690 ( -15.036 0.000 12.040) 19.263 2.763 ( 0.723 0.000 -1.060) 1.283 2.862 ( 2.693 0.000 -3.083) 4.094 2.922 ( -5.273 0.000 -15.968) 16.817 3.008 ( 1.929 0.000 -1.430) 2.401 3.121 ( 2.442 0.000 1.470) 2.851 3.170 ( 1.075 0.000 0.416) 1.152 3.195 ( 6.575 0.000 5.764) 8.744 3.203 ( 6.305 0.000 -5.277) 8.221 3.253 ( 3.761 0.000 -4.661) 5.989 3.301 ( -8.554 0.000 8.213) 11.859 3.314 ( -3.431 0.000 -1.401) 3.707 3.362 ( -4.432 0.000 1.784) 4.777 3.448 ( 1.162 0.000 7.338) 7.429 3.506 ( 0.589 0.000 -7.771) 7.793 3.536 ( 2.686 0.000 2.022) 3.363 3.632 ( -7.417 0.000 -0.416) 7.429 3.690 ( -0.631 0.000 5.431) 5.468 3.862 ( 3.699 0.000 -9.619) 10.306 3.937 ( 2.451 0.000 1.547) 2.899 3.951 ( -1.161 0.000 2.960) 3.179 4.060 ( -1.265 0.000 1.760) 2.168 4.137 ( -0.341 0.000 2.436) 2.460 4.211 ( -2.697 0.000 2.700) 3.816 4.244 ( 5.592 0.000 -9.842) 11.319 4.377 ( -0.056 0.000 6.708) 6.708 4.442 ( 2.049 0.000 6.580) 6.891 4.465 ( 0.064 0.000 4.061) 4.061 4.623 ( 2.535 0.000 -6.681) 7.146 4.665 ( 0.651 0.000 -0.432) 0.781 4.688 ( -0.941 0.000 -3.017) 3.161 4.703 ( -0.424 0.000 -4.211) 4.232 4.754 ( -1.407 0.000 0.292) 1.437 4.888 ( -4.296 0.000 1.880) 4.689 4.896 ( -2.508 0.000 -9.310) 9.642 5.042 ( 3.074 0.000 3.561) 4.704 5.072 ( -0.636 0.000 2.615) 2.692 5.144 ( 3.322 0.000 -1.690) 3.727 5.184 ( -1.033 0.000 2.899) 3.078 5.308 ( 1.413 0.000 -5.140) 5.331 5.356 ( 1.956 0.000 -4.174) 4.609 5.377 ( -2.017 0.000 6.343) 6.656 5.512 ( -1.174 0.000 -0.641) 1.338 5.533 ( 4.219 0.000 0.497) 4.249 5.579 ( -3.435 0.000 3.868) 5.173 5.769 ( -1.183 0.000 4.013) 4.183 5.857 ( -0.645 0.000 -4.433) 4.479 5.944 ( 1.410 0.000 0.599) 1.532 5.957 ( 0.887 0.000 -1.357) 1.621 5.971 ( -0.078 0.000 -0.769) 0.773 5.984 ( -0.532 0.000 -2.680) 2.732 6.111 ( -4.999 0.000 4.083) 6.454 6.112 ( 1.788 0.000 -1.959) 2.652 6.483 ( -0.295 0.000 2.139) 2.160 6.494 ( 2.057 0.000 0.119) 2.060 6.609 ( -1.325 0.000 2.689) 2.998 6.656 ( 0.632 0.000 -2.198) 2.287 8.278 ( 1.480 0.000 2.488) 2.895 8.473 ( -4.212 0.000 -7.991) 9.033 8.669 ( -3.193 0.000 10.339) 10.821 8.757 ( 9.569 0.000 -2.582) 9.911 9.451 ( -4.798 0.000 6.633) 8.186 9.487 ( 6.502 0.000 -3.969) 7.618 9.564 ( -0.387 0.000 3.689) 3.710 9.647 ( -0.273 0.000 -2.665) 2.679 9.837 ( 0.858 0.000 2.789) 2.918 9.986 ( -2.033 0.000 -5.406) 5.776 10.261 ( 3.322 0.000 3.053) 4.512 10.300 ( 1.314 0.000 4.079) 4.285 10.575 ( 5.683 0.000 2.495) 6.207 10.627 ( 0.729 0.000 4.152) 4.215 10.741 ( 1.378 0.000 11.390) 11.473 10.820 ( -1.802 0.000 -3.109) 3.593 11.110 ( -4.356 0.000 -13.693) 14.369 11.251 ( -8.934 0.000 -7.759) 11.833 11.531 ( 4.647 0.000 0.668) 4.695 11.665 ( -3.734 0.000 -1.682) 4.095 18.729 ( -0.666 0.000 0.978) 1.183 18.773 ( -0.276 0.000 -1.951) 1.971 19.055 ( 1.740 0.000 6.759) 6.979 19.285 ( -3.847 0.000 -3.102) 4.942 19.350 ( 2.853 0.000 -2.839) 4.025 19.454 ( -3.626 0.000 -4.765) 5.988 19.550 ( -0.453 0.000 2.830) 2.866 19.650 ( 1.312 0.000 -4.712) 4.891 19.969 ( -1.059 0.000 9.316) 9.376 20.210 ( -1.627 0.000 -5.798) 6.022 20.593 ( -0.613 0.000 4.051) 4.097 20.611 ( 6.244 0.000 0.550) 6.268 20.744 ( -0.258 0.000 0.322) 0.413 20.827 ( -3.318 0.000 -0.991) 3.463 20.917 ( 3.689 0.000 3.308) 4.955 21.054 ( 0.275 0.000 -3.259) 3.271 ======================= Grid point 93 (44/65) ======================= q-point: (-0.40 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -15.832 0.000 12.655) 20.268 0.954 ( -16.454 0.000 11.497) 20.073 1.159 ( 1.412 0.000 10.757) 10.850 1.392 ( 7.393 0.000 -13.109) 15.050 1.529 ( 5.495 0.000 -13.888) 14.936 1.636 ( 13.899 0.000 -13.146) 19.131 1.750 ( -8.027 0.000 8.404) 11.622 1.898 ( -1.173 0.000 2.006) 2.324 1.973 ( -2.735 0.000 9.441) 9.829 2.095 ( -31.604 0.000 15.811) 35.338 2.145 ( -0.430 0.000 -14.032) 14.038 2.343 ( -7.810 0.000 1.214) 7.904 2.382 ( 10.013 0.000 10.869) 14.778 2.567 ( 5.830 0.000 -9.058) 10.771 2.633 ( 6.148 0.000 9.257) 11.113 2.659 ( 1.533 0.000 -2.674) 3.082 2.724 ( -2.678 0.000 -0.500) 2.724 2.756 ( -4.389 0.000 2.520) 5.061 2.984 ( 1.312 0.000 -6.505) 6.636 3.007 ( 6.554 0.000 -1.674) 6.765 3.169 ( 2.719 0.000 -3.724) 4.611 3.171 ( -5.271 0.000 0.875) 5.343 3.171 ( -3.867 0.000 0.470) 3.895 3.216 ( 2.944 0.000 -4.625) 5.482 3.276 ( 0.861 0.000 0.633) 1.069 3.323 ( 4.578 0.000 -2.375) 5.157 3.378 ( 2.598 0.000 1.300) 2.905 3.454 ( 5.851 0.000 -4.628) 7.460 3.487 ( -0.069 0.000 -3.404) 3.405 3.503 ( 8.164 0.000 2.943) 8.678 3.539 ( 2.389 0.000 2.059) 3.154 3.594 ( 2.675 0.000 1.287) 2.968 3.721 ( 1.133 0.000 1.510) 1.888 3.829 ( 0.395 0.000 -8.209) 8.219 3.940 ( -3.624 0.000 3.577) 5.092 4.017 ( 1.732 0.000 2.514) 3.052 4.073 ( -3.686 0.000 -6.677) 7.627 4.108 ( 2.897 0.000 2.903) 4.101 4.150 ( -4.377 0.000 0.555) 4.412 4.283 ( 5.061 0.000 -5.606) 7.553 4.396 ( -4.519 0.000 11.171) 12.050 4.488 ( 1.046 0.000 -0.570) 1.191 4.567 ( 4.357 0.000 6.239) 7.610 4.573 ( -2.245 0.000 -3.800) 4.414 4.616 ( -2.439 0.000 -7.869) 8.239 4.627 ( -0.472 0.000 -3.230) 3.265 4.709 ( -1.166 0.000 -1.511) 1.909 4.718 ( -0.727 0.000 6.423) 6.464 4.817 ( -0.910 0.000 -3.540) 3.655 4.886 ( 2.825 0.000 1.650) 3.271 5.055 ( -3.500 0.000 3.090) 4.669 5.111 ( 1.551 0.000 1.553) 2.195 5.165 ( -2.699 0.000 -1.862) 3.279 5.194 ( 3.092 0.000 -2.761) 4.145 5.262 ( -2.868 0.000 0.256) 2.879 5.342 ( 0.130 0.000 -4.071) 4.073 5.440 ( 3.100 0.000 6.664) 7.349 5.474 ( -0.816 0.000 -2.641) 2.764 5.539 ( -2.690 0.000 0.672) 2.773 5.630 ( 4.642 0.000 -0.854) 4.720 5.754 ( -3.630 0.000 4.626) 5.880 5.829 ( -1.076 0.000 -0.482) 1.180 5.943 ( -1.670 0.000 1.285) 2.107 5.945 ( -0.754 0.000 -1.061) 1.302 5.966 ( -0.084 0.000 -1.065) 1.068 5.972 ( 0.878 0.000 -0.838) 1.214 6.056 ( -2.912 0.000 2.744) 4.001 6.157 ( 3.476 0.000 -0.603) 3.528 6.480 ( -1.789 0.000 1.377) 2.258 6.523 ( 1.838 0.000 -1.503) 2.374 6.606 ( -0.781 0.000 2.514) 2.633 6.660 ( 1.522 0.000 -2.233) 2.702 8.345 ( 2.733 0.000 4.528) 5.288 8.356 ( -2.592 0.000 -5.221) 5.829 8.646 ( -7.203 0.000 8.218) 10.928 8.845 ( 3.747 0.000 -6.246) 7.284 9.386 ( -5.661 0.000 5.352) 7.790 9.563 ( 1.478 0.000 -3.343) 3.655 9.594 ( 0.391 0.000 2.506) 2.536 9.660 ( 6.203 0.000 -5.543) 8.319 9.896 ( 2.805 0.000 3.011) 4.115 9.926 ( 0.168 0.000 -5.360) 5.362 10.298 ( -1.769 0.000 -0.524) 1.845 10.338 ( 3.074 0.000 0.375) 3.097 10.664 ( -1.185 0.000 1.797) 2.153 10.665 ( -1.123 0.000 1.419) 1.809 10.793 ( -6.496 0.000 -4.868) 8.118 10.821 ( 3.031 0.000 4.440) 5.376 11.021 ( 6.397 0.000 10.232) 12.067 11.030 ( -5.346 0.000 -8.216) 9.802 11.572 ( -4.128 0.000 -2.541) 4.848 11.637 ( 4.680 0.000 1.002) 4.786 18.735 ( 0.200 0.000 1.537) 1.550 18.758 ( 0.352 0.000 -1.736) 1.771 19.179 ( -2.504 0.000 -5.161) 5.736 19.180 ( 5.976 0.000 7.496) 9.587 19.347 ( -4.881 0.000 -2.939) 5.698 19.394 ( 2.272 0.000 0.768) 2.399 19.553 ( -1.853 0.000 4.278) 4.662 19.623 ( -0.911 0.000 -3.990) 4.093 20.060 ( 2.584 0.000 8.575) 8.956 20.143 ( -0.066 0.000 -7.223) 7.223 20.579 ( -3.558 0.000 2.580) 4.395 20.680 ( 1.911 0.000 -4.274) 4.681 20.771 ( -1.386 0.000 -1.344) 1.931 20.780 ( 3.010 0.000 3.799) 4.847 20.988 ( 0.914 0.000 3.125) 3.256 21.003 ( -2.830 0.000 -4.811) 5.582 ======================= Grid point 94 (45/65) ======================= q-point: (-0.20 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( -14.846 0.000 18.198) 23.486 0.858 ( -6.928 0.000 20.135) 21.294 1.250 ( -3.599 0.000 13.597) 14.065 1.315 ( -0.694 0.000 -16.110) 16.125 1.583 ( -0.781 0.000 -1.653) 1.828 1.645 ( -6.752 0.000 -0.571) 6.776 1.708 ( -10.983 0.000 13.881) 17.701 1.811 ( 6.193 0.000 -9.715) 11.521 1.959 ( -1.702 0.000 16.749) 16.835 1.999 ( 1.019 0.000 2.666) 2.854 2.036 ( 8.856 0.000 -2.610) 9.232 2.261 ( -2.836 0.000 0.903) 2.976 2.579 ( 4.124 0.000 -4.180) 5.872 2.609 ( -1.582 0.000 -11.283) 11.393 2.654 ( -2.052 0.000 2.661) 3.360 2.668 ( 2.939 0.000 3.353) 4.458 2.753 ( 1.363 0.000 12.429) 12.503 2.837 ( 4.613 0.000 3.330) 5.690 2.999 ( 0.794 0.000 2.060) 2.208 3.015 ( -1.509 0.000 -4.913) 5.140 3.078 ( -3.821 0.000 -1.433) 4.081 3.098 ( -3.249 0.000 -3.192) 4.555 3.160 ( -1.211 0.000 1.315) 1.788 3.210 ( -0.309 0.000 -4.582) 4.593 3.272 ( -0.031 0.000 -2.599) 2.599 3.338 ( 5.875 0.000 -3.824) 7.010 3.441 ( -6.810 0.000 6.005) 9.080 3.479 ( 6.022 0.000 2.523) 6.529 3.519 ( 6.712 0.000 -3.579) 7.606 3.617 ( 1.205 0.000 -3.629) 3.824 3.664 ( 2.496 0.000 -14.002) 14.222 3.705 ( -0.322 0.000 -1.826) 1.854 3.773 ( 3.869 0.000 -4.122) 5.654 3.774 ( 9.104 0.000 -6.983) 11.474 3.943 ( 5.070 0.000 1.505) 5.289 3.951 ( 1.228 0.000 3.258) 3.481 4.054 ( -2.144 0.000 -0.340) 2.170 4.120 ( 0.949 0.000 3.989) 4.100 4.151 ( -2.144 0.000 1.017) 2.373 4.271 ( -2.027 0.000 -5.455) 5.819 4.349 ( -10.473 0.000 8.376) 13.410 4.433 ( 3.869 0.000 -5.192) 6.475 4.478 ( -3.520 0.000 -3.224) 4.773 4.512 ( -4.646 0.000 -4.214) 6.272 4.679 ( 3.757 0.000 2.392) 4.454 4.704 ( -1.835 0.000 -1.301) 2.250 4.759 ( 0.850 0.000 11.773) 11.804 4.767 ( 5.450 0.000 -1.114) 5.563 4.813 ( 6.355 0.000 -0.024) 6.355 4.901 ( -4.291 0.000 0.660) 4.342 5.021 ( -1.245 0.000 4.252) 4.430 5.069 ( -2.393 0.000 -3.644) 4.360 5.129 ( -0.567 0.000 0.602) 0.827 5.215 ( -4.563 0.000 4.370) 6.318 5.220 ( 2.330 0.000 -2.760) 3.612 5.315 ( 0.809 0.000 -4.863) 4.930 5.429 ( -0.945 0.000 -1.538) 1.805 5.504 ( -1.480 0.000 0.762) 1.665 5.526 ( 1.270 0.000 0.316) 1.308 5.670 ( 0.624 0.000 -1.880) 1.981 5.777 ( 1.914 0.000 7.004) 7.261 5.793 ( -2.796 0.000 0.692) 2.880 5.905 ( -4.854 0.000 5.809) 7.569 5.927 ( -0.007 0.000 -0.517) 0.517 5.960 ( 0.503 0.000 -1.013) 1.131 5.991 ( 1.657 0.000 -1.235) 2.067 6.059 ( 1.483 0.000 2.862) 3.223 6.233 ( 4.887 0.000 -0.726) 4.941 6.433 ( -3.538 0.000 0.686) 3.604 6.542 ( 1.541 0.000 -4.259) 4.529 6.614 ( -0.591 0.000 2.510) 2.579 6.662 ( 0.200 0.000 -2.691) 2.698 8.304 ( 0.752 0.000 -3.252) 3.337 8.441 ( 2.195 0.000 6.897) 7.238 8.501 ( -11.787 0.000 3.379) 12.262 8.829 ( 0.854 0.000 -8.681) 8.723 9.348 ( -1.791 0.000 4.681) 5.012 9.531 ( -1.164 0.000 -3.194) 3.399 9.606 ( -1.204 0.000 2.827) 3.073 9.725 ( 4.831 0.000 -8.340) 9.638 9.917 ( 3.254 0.000 -5.012) 5.975 9.983 ( 3.588 0.000 3.414) 4.953 10.244 ( -2.404 0.000 -2.964) 3.817 10.298 ( -10.512 0.000 -9.117) 13.915 10.486 ( -4.336 0.000 -0.412) 4.355 10.614 ( -3.046 0.000 -1.006) 3.208 10.741 ( -2.544 0.000 7.120) 7.561 10.857 ( 1.771 0.000 -6.228) 6.475 11.026 ( 2.470 0.000 10.343) 10.634 11.359 ( 14.387 0.000 8.701) 16.813 11.486 ( -1.252 0.000 -1.530) 1.977 11.709 ( 2.003 0.000 0.398) 2.042 18.755 ( 0.377 0.000 1.826) 1.864 18.764 ( 1.354 0.000 -1.044) 1.710 19.126 ( 1.241 0.000 -5.451) 5.591 19.192 ( -8.867 0.000 0.190) 8.870 19.390 ( 7.820 0.000 2.661) 8.261 19.458 ( 2.280 0.000 4.501) 5.045 19.564 ( -2.180 0.000 -2.555) 3.359 19.585 ( 3.068 0.000 5.940) 6.686 20.106 ( 2.299 0.000 -6.618) 7.006 20.158 ( 0.767 0.000 6.256) 6.303 20.506 ( -4.213 0.000 -0.230) 4.219 20.636 ( -3.169 0.000 -5.324) 6.195 20.755 ( 0.175 0.000 -0.371) 0.410 20.854 ( -3.322 0.000 -0.301) 3.336 20.909 ( 2.936 0.000 -1.488) 3.291 21.002 ( -1.346 0.000 2.164) 2.549 ======================= Grid point 95 (46/65) ======================= q-point: ( 0.00 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 1.740 21.764 14.375) 26.141 1.052 ( -0.233 9.776 17.682) 20.206 1.344 ( -3.745 12.022 5.730) 13.834 1.371 ( -0.112 15.418 -12.609) 19.917 1.533 ( 1.196 3.168 -7.804) 8.507 1.644 ( 1.630 2.200 -5.022) 5.720 1.850 ( -2.245 5.932 9.555) 11.468 1.930 ( 2.887 6.672 7.364) 10.348 2.044 ( -0.293 5.097 -0.292) 5.114 2.066 ( 2.134 -0.260 11.677) 11.873 2.179 ( -5.241 0.029 0.180) 5.244 2.275 ( 2.487 -2.960 -16.412) 16.861 2.509 ( 9.408 2.052 4.881) 10.795 2.567 ( -0.025 0.821 2.722) 2.843 2.642 ( -5.377 2.999 1.210) 6.274 2.801 ( -2.230 -0.100 3.207) 3.907 2.822 ( 0.270 -1.156 0.771) 1.415 2.842 ( -2.424 0.304 -9.095) 9.417 2.905 ( -1.365 0.489 1.225) 1.898 2.986 ( -2.455 1.666 -3.929) 4.924 3.038 ( 1.294 -0.304 -1.204) 1.793 3.072 ( 4.888 2.993 -0.435) 5.748 3.126 ( 1.363 -1.406 0.794) 2.113 3.236 ( -1.055 1.354 -1.993) 2.630 3.327 ( -2.242 0.514 3.512) 4.198 3.347 ( 1.934 -1.458 1.212) 2.708 3.439 ( 3.288 3.025 3.150) 5.467 3.477 ( -2.039 -2.756 -1.586) 3.777 3.508 ( -1.647 -6.884 -3.599) 7.941 3.584 ( 0.942 1.970 -7.808) 8.107 3.668 ( -1.266 4.565 -0.461) 4.760 3.686 ( 1.882 4.575 -2.338) 5.472 3.792 ( 3.395 0.891 0.448) 3.538 3.851 ( -3.908 3.595 -5.027) 7.312 4.011 ( 0.350 -1.522 4.512) 4.774 4.046 ( -0.674 -0.707 1.124) 1.489 4.072 ( -1.097 0.848 2.806) 3.130 4.135 ( 2.102 1.473 -2.680) 3.711 4.153 ( -2.841 -0.337 1.416) 3.192 4.237 ( 3.862 -2.590 0.432) 4.670 4.241 ( 0.891 -5.103 -2.555) 5.776 4.302 ( -4.570 -0.503 -6.273) 7.777 4.412 ( -2.724 -0.330 3.536) 4.476 4.542 ( 5.888 -0.821 -5.628) 8.187 4.663 ( -0.847 -3.041 2.791) 4.214 4.674 ( -1.549 -1.779 0.126) 2.362 4.709 ( -4.224 -3.063 5.399) 7.508 4.803 ( 2.673 -2.422 -3.093) 4.752 4.877 ( 3.972 2.109 -1.066) 4.622 4.894 ( -0.173 -0.591 -3.468) 3.522 4.965 ( 0.058 -5.190 3.147) 6.070 5.056 ( 0.177 -9.642 -3.804) 10.367 5.106 ( -6.673 -1.104 4.457) 8.100 5.149 ( 1.690 0.941 4.157) 4.585 5.194 ( 4.493 -5.691 -1.970) 7.513 5.268 ( 2.448 -1.947 -3.793) 4.916 5.435 ( 3.289 -2.191 0.704) 4.015 5.444 ( -3.362 0.723 1.515) 3.758 5.569 ( -0.156 -0.606 1.537) 1.659 5.628 ( -1.492 0.515 -3.101) 3.480 5.710 ( -5.370 -4.231 4.802) 8.355 5.737 ( 2.380 -3.128 0.762) 4.003 5.872 ( 1.416 -5.074 5.660) 7.732 5.926 ( 0.090 -5.876 -1.044) 5.969 5.982 ( -0.839 1.875 1.406) 2.489 6.023 ( 0.474 3.020 -2.214) 3.775 6.149 ( 2.721 1.175 3.169) 4.339 6.198 ( -2.680 -2.037 -0.492) 3.402 6.450 ( -2.246 2.235 4.093) 5.176 6.551 ( 3.743 3.189 -5.392) 7.297 6.659 ( -0.522 2.449 -0.965) 2.683 6.668 ( -1.833 1.923 -1.322) 2.967 8.297 ( -5.432 -1.155 1.945) 5.884 8.340 ( 5.502 -1.018 -2.057) 5.961 8.522 ( 0.872 -1.951 8.002) 8.283 8.704 ( -0.740 -4.759 -8.982) 10.192 9.296 ( 0.154 -6.343 4.352) 7.694 9.381 ( -0.244 -7.579 -3.556) 8.376 9.538 ( -2.417 -5.491 4.512) 7.506 9.662 ( 0.729 -4.733 -7.467) 8.871 9.930 ( -8.289 -2.894 0.864) 8.822 9.943 ( 4.612 -2.679 -0.494) 5.357 10.200 ( 4.836 8.690 5.472) 11.351 10.332 ( -4.740 11.957 -7.014) 14.651 10.598 ( 1.349 7.743 1.712) 8.044 10.622 ( -2.591 5.904 -0.070) 6.448 10.794 ( -3.628 6.192 2.968) 7.766 10.868 ( 2.669 0.427 -3.561) 4.470 11.139 ( 3.931 -2.028 10.233) 11.148 11.329 ( -1.750 -3.850 -7.943) 8.998 11.664 ( 5.958 -1.558 2.385) 6.604 11.696 ( -1.737 -1.103 -1.030) 2.301 18.786 ( -0.801 2.086 1.698) 2.807 18.819 ( 1.439 3.144 -1.615) 3.816 19.062 ( -3.367 1.763 4.864) 6.172 19.185 ( 1.652 3.340 -6.498) 7.490 19.451 ( -3.494 -2.357 2.378) 4.839 19.468 ( 2.355 -0.906 0.383) 2.553 19.567 ( 3.780 -0.618 4.157) 5.653 19.670 ( 0.482 -0.345 -5.115) 5.149 20.067 ( -0.532 -6.044 2.024) 6.396 20.133 ( -1.350 -4.854 -4.381) 6.676 20.468 ( 2.681 0.607 3.017) 4.081 20.520 ( -4.410 1.593 -2.173) 5.168 20.773 ( 0.233 0.492 0.544) 0.770 20.783 ( -0.851 0.371 -0.487) 1.048 20.977 ( -2.367 0.424 1.806) 3.007 21.011 ( 4.388 0.483 -1.020) 4.530 ======================= Grid point 96 (47/65) ======================= q-point: ( 0.20 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 0.472 17.524 9.076) 19.741 1.278 ( 4.754 15.377 -12.691) 20.496 1.330 ( 6.434 6.741 16.592) 19.030 1.427 ( 6.963 13.403 1.702) 15.199 1.507 ( 0.645 1.666 -10.216) 10.371 1.578 ( -3.046 0.818 -4.142) 5.206 1.885 ( -0.464 5.904 -6.200) 8.574 2.020 ( 0.379 6.649 4.811) 8.216 2.051 ( -2.193 0.346 0.665) 2.318 2.090 ( 3.646 0.897 11.727) 12.314 2.190 ( 0.531 1.615 3.289) 3.703 2.276 ( 9.016 3.591 -10.863) 14.567 2.465 ( -3.053 5.547 -5.438) 8.346 2.497 ( -11.352 -7.344 -0.411) 13.526 2.646 ( 2.637 -4.548 3.242) 6.176 2.694 ( -9.156 -0.041 5.258) 10.558 2.806 ( -2.082 2.049 1.846) 3.455 2.894 ( 5.901 -0.703 1.729) 6.189 2.961 ( 2.081 2.130 2.052) 3.617 2.981 ( 2.615 -1.171 -0.098) 2.867 3.066 ( 3.739 1.440 -5.915) 7.144 3.118 ( 0.608 4.285 -3.943) 5.854 3.186 ( 2.566 -1.496 -3.003) 4.224 3.225 ( 2.306 -0.313 -0.063) 2.328 3.249 ( 1.268 0.275 0.198) 1.313 3.316 ( -4.748 5.536 0.004) 7.293 3.414 ( -3.668 0.082 -2.313) 4.337 3.452 ( -3.551 1.538 0.453) 3.897 3.548 ( 2.539 -0.166 -1.775) 3.103 3.589 ( -2.594 3.348 2.779) 5.066 3.643 ( 4.064 0.740 -1.691) 4.464 3.676 ( -9.701 6.940 3.249) 12.362 3.699 ( -3.557 1.810 -0.485) 4.021 3.838 ( 3.105 1.316 -2.477) 4.184 3.955 ( -4.718 0.422 -1.142) 4.873 4.008 ( -0.677 2.351 0.169) 2.452 4.070 ( -1.155 -3.711 1.269) 4.089 4.136 ( -2.074 -1.687 1.351) 2.995 4.154 ( -4.256 -2.461 4.019) 6.350 4.192 ( 3.903 -1.460 -6.626) 7.827 4.308 ( 4.147 -3.045 2.410) 5.681 4.336 ( -1.099 -4.173 3.398) 5.492 4.410 ( 3.440 1.306 -0.192) 3.684 4.547 ( 0.108 -2.575 -1.870) 3.184 4.610 ( 0.052 -4.263 -2.848) 5.127 4.685 ( 2.299 -3.669 1.268) 4.512 4.709 ( -3.004 -2.894 5.311) 6.753 4.788 ( -2.395 -1.358 -2.376) 3.637 4.875 ( 1.245 -4.276 -5.223) 6.863 4.944 ( 2.763 1.884 -0.359) 3.363 5.001 ( -1.807 -2.386 2.360) 3.812 5.032 ( 0.690 -5.092 1.286) 5.297 5.062 ( 1.091 -5.545 -2.356) 6.123 5.169 ( -1.707 -2.161 2.618) 3.800 5.258 ( 1.566 1.040 -7.608) 7.837 5.276 ( 3.714 -5.390 -1.893) 6.814 5.395 ( -1.934 -0.525 1.562) 2.541 5.485 ( -0.403 -1.571 0.221) 1.637 5.536 ( -0.451 0.987 1.787) 2.091 5.592 ( -2.594 0.265 3.151) 4.090 5.704 ( 0.579 -4.017 1.364) 4.282 5.813 ( 4.313 -3.285 2.344) 5.907 5.891 ( -2.969 -8.965 -0.831) 9.480 5.933 ( 1.639 -2.807 0.770) 3.340 5.988 ( 0.226 3.815 1.000) 3.951 6.019 ( 0.866 2.678 -2.172) 3.555 6.089 ( -2.380 1.014 -1.500) 2.990 6.230 ( -2.241 -0.981 2.270) 3.337 6.435 ( -0.063 1.732 2.288) 2.870 6.529 ( -1.434 3.405 -1.148) 3.869 6.647 ( 1.999 2.093 -1.190) 3.129 6.699 ( 1.062 2.834 0.779) 3.125 8.255 ( -0.741 0.057 1.383) 1.570 8.485 ( 9.534 -4.377 -1.489) 10.596 8.568 ( -1.937 -4.070 2.557) 5.182 8.623 ( -0.693 -1.993 -2.758) 3.473 9.339 ( 1.366 -7.321 2.345) 7.808 9.389 ( 3.359 -4.830 -1.568) 6.089 9.516 ( -4.059 -5.164 5.872) 8.810 9.613 ( -0.892 -5.455 -4.194) 6.939 9.836 ( -2.777 0.026 2.819) 3.957 10.064 ( 6.025 -4.253 2.664) 7.841 10.188 ( -4.460 9.193 -6.772) 12.258 10.333 ( 3.990 9.431 5.776) 11.757 10.576 ( -0.989 4.461 0.813) 4.641 10.664 ( 2.792 8.232 2.414) 9.021 10.748 ( -3.440 5.218 4.390) 7.637 10.877 ( 0.276 1.054 -2.234) 2.486 11.204 ( -3.168 -4.049 -7.823) 9.361 11.299 ( 4.781 -1.819 3.750) 6.343 11.597 ( -5.807 0.982 -5.183) 7.845 11.707 ( -0.893 -2.106 -1.182) 2.575 18.768 ( -1.860 2.186 1.132) 3.086 18.818 ( 0.026 2.809 -2.174) 3.553 19.039 ( -1.856 3.408 4.976) 6.310 19.231 ( 4.479 -1.680 -2.210) 5.269 19.388 ( -3.409 -1.520 -0.438) 3.758 19.513 ( 0.880 0.105 1.305) 1.578 19.576 ( -2.632 -0.992 -7.051) 7.591 19.656 ( 2.207 1.056 0.856) 2.592 19.953 ( -5.396 -3.817 2.966) 7.244 20.259 ( 6.486 -3.983 -0.535) 7.630 20.424 ( -1.808 -1.486 1.066) 2.571 20.560 ( 2.643 0.664 2.348) 3.597 20.758 ( -0.753 0.310 -0.072) 0.817 20.814 ( 2.164 -0.286 1.377) 2.581 20.907 ( -3.834 0.245 -0.468) 3.870 21.078 ( 2.865 1.561 -2.741) 4.262 ======================= Grid point 97 (48/65) ======================= q-point: ( 0.40 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 0.751 13.780 7.164) 15.549 1.269 ( -12.471 3.681 0.938) 13.037 1.316 ( -2.745 12.945 0.309) 13.237 1.379 ( 6.304 9.521 -10.293) 15.373 1.586 ( 8.135 7.498 -9.249) 14.421 1.767 ( 10.611 1.793 13.631) 17.367 1.788 ( -1.823 12.716 -10.587) 16.647 1.961 ( -5.598 6.825 2.750) 9.246 1.984 ( -6.114 4.835 2.492) 8.183 2.191 ( 6.097 4.839 -4.210) 8.849 2.314 ( -1.597 -1.367 0.804) 2.251 2.333 ( -3.436 0.272 1.221) 3.656 2.407 ( 6.997 -2.213 2.391) 7.719 2.471 ( 3.594 1.014 -6.482) 7.481 2.556 ( -1.599 -3.736 8.346) 9.283 2.711 ( -11.462 1.281 0.883) 11.567 2.765 ( 5.279 -3.166 1.776) 6.407 2.828 ( -3.778 -0.507 -4.782) 6.116 2.944 ( -5.833 1.608 -4.449) 7.510 2.997 ( -0.049 -1.520 1.941) 2.465 3.124 ( 6.029 -1.010 0.532) 6.136 3.194 ( 4.635 2.883 -4.431) 7.031 3.227 ( 3.302 2.734 -3.473) 5.517 3.250 ( 1.747 0.678 -2.930) 3.478 3.261 ( -4.183 3.558 3.321) 6.417 3.298 ( 2.918 4.531 3.205) 6.271 3.376 ( -0.605 2.683 3.915) 4.785 3.412 ( 2.462 2.813 -2.740) 4.635 3.466 ( -6.023 1.503 2.528) 6.703 3.514 ( -1.001 1.139 -4.410) 4.664 3.577 ( -2.852 5.734 3.968) 7.533 3.618 ( -4.387 0.173 -3.392) 5.548 3.724 ( -0.144 2.875 3.882) 4.833 3.867 ( 1.662 -0.122 -6.793) 6.995 3.947 ( 2.857 0.741 3.689) 4.725 3.980 ( -0.635 2.732 -0.527) 2.854 4.031 ( -1.443 -2.146 2.613) 3.676 4.121 ( -4.057 -5.853 3.304) 7.851 4.137 ( 1.583 -3.264 -1.334) 3.865 4.218 ( 3.586 -2.047 -8.287) 9.259 4.319 ( -2.403 -6.803 7.339) 10.292 4.401 ( 4.789 -3.044 1.297) 5.821 4.462 ( -1.500 -2.811 3.069) 4.424 4.556 ( 0.262 -3.858 -2.060) 4.381 4.615 ( 1.424 -4.551 0.988) 4.870 4.671 ( -3.284 -2.738 2.421) 4.914 4.710 ( 1.863 -1.915 -7.563) 8.021 4.758 ( -1.512 -0.836 0.412) 1.776 4.860 ( 1.936 -3.347 -5.912) 7.064 4.902 ( -1.648 0.087 -0.666) 1.780 5.001 ( -1.297 -1.029 0.562) 1.749 5.065 ( 0.433 -4.213 -1.480) 4.487 5.077 ( 2.488 -2.730 0.500) 3.727 5.146 ( -1.923 -3.177 1.527) 4.015 5.236 ( 1.335 -3.045 -1.566) 3.675 5.319 ( 1.379 -3.412 -2.290) 4.334 5.402 ( 0.104 0.694 4.581) 4.634 5.478 ( -0.510 -2.399 0.357) 2.479 5.554 ( -1.310 0.117 4.178) 4.381 5.584 ( 1.079 2.311 0.159) 2.555 5.721 ( -0.185 -3.230 1.329) 3.498 5.798 ( -3.701 -6.845 -2.500) 8.173 5.904 ( 2.741 -4.912 1.532) 5.830 5.960 ( 0.883 -1.461 -0.491) 1.776 5.995 ( -0.003 3.942 0.762) 4.015 6.026 ( 0.779 3.350 -1.201) 3.643 6.083 ( 2.131 1.374 -1.575) 2.985 6.146 ( -6.047 -0.473 1.097) 6.164 6.470 ( 0.310 -0.074 2.627) 2.646 6.512 ( 0.101 2.415 -0.313) 2.437 6.682 ( 2.840 3.499 -1.454) 4.736 6.700 ( -1.575 2.975 0.689) 3.437 8.276 ( 1.320 -0.125 2.360) 2.707 8.450 ( -3.706 -2.294 -6.364) 7.713 8.622 ( -3.461 -4.456 7.759) 9.594 8.682 ( 8.604 -6.765 -3.223) 11.410 9.392 ( -0.234 -5.223 4.586) 6.954 9.445 ( 1.952 -3.176 0.128) 3.730 9.498 ( 1.735 -5.728 1.041) 6.075 9.567 ( -1.293 -6.739 -2.260) 7.224 9.852 ( 1.316 1.692 3.774) 4.340 10.050 ( -3.428 5.446 -6.565) 9.192 10.207 ( 4.772 -3.483 5.023) 7.754 10.383 ( -1.543 4.401 -0.270) 4.671 10.633 ( 3.490 5.525 5.268) 8.395 10.709 ( 0.051 7.364 3.019) 7.959 10.789 ( 2.503 4.716 9.323) 10.744 10.853 ( -0.458 3.106 -1.121) 3.334 11.058 ( -3.916 -2.291 -9.819) 10.816 11.312 ( -6.169 3.318 -8.311) 10.869 11.510 ( 3.252 -2.014 -0.143) 3.828 11.645 ( -3.604 -2.151 -2.329) 4.800 18.748 ( -0.973 1.883 1.279) 2.475 18.796 ( -0.232 2.354 -2.400) 3.370 19.073 ( 1.311 1.711 5.216) 5.644 19.239 ( -3.447 -4.136 -1.186) 5.513 19.347 ( 1.623 -0.381 -2.542) 3.040 19.449 ( -3.115 -0.635 -5.036) 5.956 19.565 ( 0.734 1.314 2.086) 2.572 19.669 ( 0.819 1.468 -4.062) 4.396 19.965 ( 1.250 -0.438 8.903) 9.001 20.235 ( -3.079 2.744 -5.483) 6.861 20.519 ( 4.283 -6.859 5.739) 9.916 20.606 ( 1.580 -0.842 0.437) 1.842 20.747 ( -0.415 0.313 0.630) 0.817 20.820 ( -2.590 -0.342 -0.836) 2.743 20.900 ( 3.209 -1.058 2.342) 4.111 21.072 ( -0.739 0.742 -4.412) 4.534 ======================= Grid point 98 (49/65) ======================= q-point: (-0.40 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -16.805 6.412 12.517) 21.913 1.106 ( -9.983 15.263 9.060) 20.364 1.358 ( 5.226 16.274 0.819) 17.112 1.502 ( 11.896 8.456 -12.093) 18.954 1.627 ( -3.356 8.725 -6.627) 11.459 1.694 ( 6.457 6.831 -6.262) 11.294 1.839 ( -5.846 9.381 2.906) 11.429 1.942 ( 2.949 3.907 5.840) 7.620 2.039 ( -0.229 6.028 8.438) 10.372 2.123 ( -22.794 3.848 12.640) 26.346 2.184 ( -2.301 3.709 -13.769) 14.445 2.352 ( -7.816 1.267 0.137) 7.920 2.386 ( 5.638 -0.020 10.506) 11.923 2.498 ( 5.692 -3.206 -5.589) 8.597 2.593 ( 0.314 -3.333 -7.493) 8.207 2.665 ( 7.826 0.865 6.518) 10.221 2.735 ( -6.229 -1.134 2.285) 6.731 2.819 ( -0.811 5.538 0.099) 5.598 2.961 ( 6.022 -3.725 0.779) 7.123 3.004 ( 1.737 0.539 -3.464) 3.912 3.136 ( -5.040 -0.623 0.526) 5.106 3.163 ( 0.608 -1.409 -3.436) 3.763 3.235 ( -6.632 6.836 -0.301) 9.529 3.271 ( -0.014 -0.580 0.737) 0.938 3.284 ( 5.117 2.406 -7.124) 9.095 3.340 ( 4.529 -0.802 0.830) 4.673 3.404 ( -1.009 4.923 -0.139) 5.027 3.432 ( 3.747 -1.392 1.451) 4.252 3.462 ( 3.407 -0.495 -1.538) 3.771 3.529 ( 1.704 3.289 1.032) 3.846 3.558 ( 1.026 -1.729 -2.739) 3.398 3.658 ( 12.184 9.230 -2.452) 15.481 3.720 ( -1.467 -0.100 3.313) 3.625 3.845 ( -0.027 1.091 -4.923) 5.043 3.967 ( -3.050 1.893 2.205) 4.213 3.985 ( -0.304 -2.692 1.571) 3.132 4.056 ( -3.656 -3.252 -0.253) 4.900 4.084 ( 1.892 -1.821 3.490) 4.368 4.121 ( -0.901 -2.205 -3.979) 4.637 4.223 ( 4.771 -4.916 -5.059) 8.516 4.357 ( 1.225 -5.549 5.033) 7.591 4.419 ( -1.268 -5.746 0.961) 5.962 4.506 ( -2.331 -5.448 -4.632) 7.521 4.536 ( 0.061 -4.899 4.733) 6.813 4.592 ( -0.080 0.205 1.042) 1.065 4.653 ( 0.508 -1.344 -1.426) 2.024 4.701 ( -1.949 -0.701 -1.384) 2.491 4.733 ( 2.804 0.140 -0.845) 2.932 4.830 ( -2.203 1.213 -1.714) 3.043 4.907 ( 1.782 0.135 -1.376) 2.255 4.996 ( -1.522 -1.655 3.343) 4.028 5.061 ( 2.465 -6.620 -2.714) 7.568 5.091 ( -1.436 -5.061 -1.972) 5.618 5.144 ( 1.979 -3.151 -0.480) 3.751 5.251 ( -1.837 -1.323 2.882) 3.664 5.293 ( -1.469 -3.859 -2.500) 4.827 5.442 ( -1.652 -1.853 0.764) 2.598 5.467 ( 0.996 0.819 2.461) 2.778 5.560 ( -0.278 1.658 2.427) 2.952 5.627 ( 3.392 -0.138 -2.745) 4.366 5.702 ( -3.620 -3.431 3.306) 5.984 5.747 ( -0.666 -5.997 1.547) 6.229 5.928 ( -4.728 -3.832 -0.196) 6.089 5.937 ( -0.182 -3.480 1.165) 3.674 6.002 ( -0.279 3.884 0.573) 3.936 6.018 ( 0.185 3.954 -0.006) 3.959 6.062 ( -2.009 1.184 -0.307) 2.352 6.156 ( 5.509 0.767 -0.418) 5.577 6.469 ( -2.154 0.241 2.379) 3.219 6.516 ( 0.156 1.847 -0.114) 1.857 6.664 ( -1.731 1.679 -0.409) 2.446 6.733 ( 3.396 4.260 -2.001) 5.804 8.333 ( 0.634 -1.195 2.319) 2.685 8.353 ( -0.423 -0.251 -2.755) 2.799 8.577 ( -7.232 -5.937 6.686) 11.500 8.767 ( 3.994 -7.197 -5.551) 9.927 9.347 ( -5.925 -3.042 5.177) 8.436 9.480 ( -0.684 -6.722 -0.716) 6.795 9.525 ( 0.261 -6.984 0.371) 6.999 9.603 ( 7.878 -4.421 -5.977) 10.832 9.912 ( 0.213 1.884 2.541) 3.170 9.976 ( 2.239 4.212 -4.074) 6.273 10.275 ( -4.681 -2.474 0.868) 5.365 10.359 ( 4.035 -0.088 -0.102) 4.038 10.675 ( -2.537 4.575 4.328) 6.790 10.752 ( 0.715 5.116 -2.145) 5.594 10.835 ( -1.005 4.619 3.798) 6.064 10.869 ( -0.399 5.458 -0.698) 5.517 11.069 ( -7.062 3.496 -10.786) 13.358 11.080 ( 8.321 4.419 9.361) 13.281 11.544 ( -4.059 -2.714 -2.277) 5.388 11.612 ( 4.606 -2.678 0.649) 5.367 18.752 ( 0.100 1.714 1.804) 2.490 18.783 ( 0.771 2.463 -2.079) 3.315 19.127 ( -2.609 -2.604 1.278) 3.902 19.196 ( 4.618 -0.496 1.822) 4.989 19.356 ( -2.483 0.360 -2.448) 3.506 19.386 ( 1.864 -0.755 -0.220) 2.023 19.588 ( -0.346 2.650 3.334) 4.273 19.631 ( -1.584 0.955 -4.281) 4.663 20.084 ( 2.260 2.702 6.739) 7.604 20.139 ( -0.408 -0.244 -5.359) 5.380 20.547 ( -3.889 -3.328 2.540) 5.714 20.653 ( 2.596 -2.778 -3.285) 5.025 20.773 ( 2.146 -0.312 3.362) 4.001 20.775 ( -0.686 0.411 -1.373) 1.589 20.973 ( -1.537 -1.395 -0.089) 2.077 20.989 ( -1.046 -1.291 -1.372) 2.155 ======================= Grid point 99 (50/65) ======================= q-point: (-0.20 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( -7.160 10.128 17.585) 21.519 1.017 ( -6.820 17.624 14.204) 23.640 1.398 ( -6.586 13.300 7.619) 16.683 1.495 ( -0.272 15.113 -10.900) 18.636 1.614 ( 5.588 2.872 -9.930) 11.750 1.703 ( -13.180 7.032 -2.071) 15.081 1.778 ( 5.225 -1.606 3.694) 6.597 1.893 ( -6.545 16.619 12.762) 21.952 1.991 ( -3.526 3.906 -2.174) 5.693 2.045 ( -1.469 5.552 4.181) 7.104 2.151 ( 10.341 8.665 6.898) 15.153 2.275 ( -2.259 2.218 -0.405) 3.191 2.474 ( -3.011 -8.992 -4.262) 10.396 2.524 ( 2.748 -6.005 -6.589) 9.329 2.656 ( 4.620 2.315 4.945) 7.152 2.722 ( 3.791 0.736 1.643) 4.197 2.781 ( 1.051 1.736 1.230) 2.373 2.892 ( 4.914 3.193 6.833) 9.002 2.976 ( -3.353 -2.509 -0.820) 4.267 3.002 ( -1.212 -0.788 -3.221) 3.530 3.063 ( 1.034 -1.505 -4.034) 4.428 3.108 ( -5.502 4.157 -0.647) 6.926 3.157 ( -1.346 -0.340 1.140) 1.797 3.192 ( -4.684 0.634 -1.684) 5.018 3.280 ( 3.974 -1.948 -2.496) 5.081 3.388 ( 0.792 3.441 -1.436) 3.812 3.409 ( -6.013 -2.914 -0.057) 6.682 3.495 ( 7.566 2.443 -4.124) 8.957 3.522 ( 4.001 -0.855 -0.126) 4.093 3.585 ( 0.456 -2.561 -3.141) 4.078 3.653 ( 5.571 -0.040 -0.965) 5.654 3.704 ( 2.875 0.642 -3.271) 4.402 3.757 ( -5.202 2.410 -0.367) 5.744 3.904 ( 3.905 5.519 -4.205) 7.962 3.951 ( 8.502 3.175 0.446) 9.087 3.977 ( 0.512 -1.591 2.186) 2.752 4.033 ( 3.359 1.507 -3.843) 5.322 4.082 ( -1.177 -2.168 3.054) 3.926 4.145 ( 0.158 -3.161 2.242) 3.878 4.246 ( -1.143 -2.462 -5.033) 5.718 4.368 ( -8.203 1.311 7.738) 11.353 4.384 ( 2.525 -5.103 -3.485) 6.675 4.423 ( -1.550 -3.302 -3.324) 4.935 4.503 ( -1.438 -4.335 -3.517) 5.765 4.655 ( 0.302 -2.866 2.962) 4.133 4.667 ( 0.821 -2.857 -3.099) 4.294 4.709 ( 2.438 -3.531 5.826) 7.235 4.792 ( 1.369 1.172 -2.227) 2.865 4.802 ( 3.606 -0.257 -0.709) 3.684 4.907 ( -0.458 1.209 0.984) 1.625 4.982 ( -3.287 -3.927 2.691) 5.785 5.067 ( 1.462 -1.501 1.172) 2.400 5.096 ( 1.794 -4.853 -3.587) 6.296 5.149 ( -1.230 -2.537 -1.114) 3.031 5.200 ( -3.602 -2.268 2.472) 4.922 5.260 ( -0.230 -4.466 -1.671) 4.774 5.402 ( -0.655 -2.759 -0.567) 2.892 5.485 ( -1.472 0.725 1.594) 2.288 5.569 ( -0.747 2.473 -0.542) 2.640 5.656 ( 1.665 -0.998 -3.935) 4.388 5.680 ( 0.167 -5.500 5.364) 7.685 5.787 ( -0.289 -7.847 7.143) 10.615 5.818 ( -5.403 -1.498 1.919) 5.926 5.933 ( -0.625 -3.439 0.492) 3.530 5.994 ( -0.776 1.572 0.083) 1.755 6.033 ( 0.700 5.426 -2.674) 6.089 6.055 ( 2.211 0.934 2.018) 3.136 6.241 ( 1.169 -0.242 0.959) 1.531 6.445 ( -0.800 3.074 1.434) 3.485 6.519 ( 0.639 0.396 0.049) 0.753 6.644 ( 0.470 0.282 -1.241) 1.357 6.749 ( -0.274 3.969 -3.835) 5.526 8.300 ( 0.607 -0.438 -2.739) 2.840 8.416 ( -2.145 -3.297 4.976) 6.343 8.458 ( -5.380 -2.399 4.632) 7.493 8.764 ( 1.098 -6.214 -7.395) 9.721 9.290 ( -3.050 -4.202 3.848) 6.463 9.430 ( -2.063 -7.897 -2.479) 8.530 9.541 ( -0.529 -6.352 2.406) 6.813 9.674 ( 4.731 -4.452 -8.370) 10.595 9.900 ( 1.124 -0.807 -2.863) 3.180 10.068 ( 5.012 6.291 3.288) 8.690 10.122 ( -9.186 -5.210 -2.228) 10.793 10.426 ( 1.103 5.707 -2.322) 6.260 10.608 ( -3.898 8.957 -2.262) 10.027 10.688 ( -3.777 7.546 -0.262) 8.442 10.824 ( -1.281 7.617 2.011) 7.981 10.869 ( -0.333 1.000 -6.989) 7.068 10.992 ( 2.733 -1.196 9.981) 10.417 11.367 ( 7.215 -1.034 3.432) 8.056 11.478 ( 2.498 -0.163 2.414) 3.477 11.688 ( 2.399 -2.334 0.584) 3.397 18.773 ( 0.342 1.870 2.155) 2.874 18.796 ( 1.917 3.027 -1.642) 3.942 19.080 ( -1.596 -2.015 0.301) 2.589 19.266 ( -3.327 4.204 -4.974) 7.313 19.358 ( 7.120 -2.949 3.120) 8.315 19.451 ( 2.587 -0.848 4.190) 4.997 19.549 ( -3.592 -0.413 -2.300) 4.285 19.625 ( 2.281 3.040 3.012) 4.849 20.050 ( -0.090 -4.154 -4.918) 6.438 20.214 ( 0.873 3.752 3.500) 5.205 20.456 ( -4.137 -4.565 -1.573) 6.358 20.623 ( -2.468 -1.219 -4.201) 5.022 20.763 ( 0.343 0.743 -0.647) 1.043 20.848 ( -4.836 -1.475 -2.175) 5.504 20.880 ( 5.519 -0.490 2.632) 6.134 21.018 ( -1.202 0.394 3.154) 3.398 ======================= Grid point 100 (51/65) ======================= q-point: ( 0.00 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 5.042 7.586 15.138) 17.667 1.382 ( -1.843 11.939 5.233) 13.165 1.553 ( -6.519 13.724 4.805) 15.935 1.611 ( -0.932 6.482 -3.642) 7.493 1.677 ( -2.903 2.212 -0.881) 3.754 1.759 ( 1.696 16.840 -10.212) 19.767 1.919 ( -3.504 2.244 1.671) 4.484 1.929 ( 3.938 -0.140 1.700) 4.292 2.140 ( -5.184 1.808 5.276) 7.614 2.207 ( -2.669 9.501 -0.825) 9.903 2.236 ( 3.755 7.484 -3.852) 9.217 2.325 ( 0.898 7.921 -7.665) 11.059 2.538 ( 1.539 -0.295 3.527) 3.859 2.592 ( 6.417 2.618 5.865) 9.079 2.675 ( -5.229 -0.798 -0.170) 5.292 2.758 ( -6.737 -1.622 -1.721) 7.140 2.809 ( 2.716 0.402 3.208) 4.223 2.871 ( 5.133 0.326 -5.566) 7.578 2.926 ( -5.575 -1.167 -3.624) 6.751 2.952 ( 4.033 1.722 5.529) 7.057 3.079 ( 2.476 -3.241 -7.663) 8.681 3.088 ( 3.275 1.546 -5.596) 6.666 3.193 ( -0.922 5.148 3.081) 6.070 3.267 ( 1.255 2.841 -1.917) 3.650 3.321 ( 3.245 -0.515 4.303) 5.414 3.350 ( -3.116 1.883 2.173) 4.240 3.401 ( 3.891 -0.288 1.986) 4.378 3.436 ( -3.696 -1.783 -0.304) 4.115 3.503 ( 0.622 2.756 0.407) 2.854 3.606 ( 2.684 -0.270 -6.724) 7.245 3.733 ( -1.176 0.611 5.070) 5.240 3.775 ( -1.081 4.836 0.571) 4.988 3.830 ( 3.252 1.944 3.562) 5.200 3.913 ( -4.477 0.695 -2.793) 5.323 3.967 ( 1.703 -5.718 3.901) 7.128 4.002 ( -3.771 -3.782 2.549) 5.918 4.050 ( 1.547 -5.666 -1.554) 6.076 4.070 ( 0.542 -2.912 -2.206) 3.693 4.142 ( 1.918 3.226 -1.149) 3.925 4.188 ( -3.021 1.997 -3.165) 4.810 4.204 ( -0.799 -2.722 0.500) 2.881 4.304 ( 1.028 1.250 -4.937) 5.196 4.388 ( -0.267 -3.342 0.944) 3.483 4.462 ( 3.411 -6.665 -4.520) 8.745 4.580 ( -1.278 -5.042 3.108) 6.060 4.626 ( -1.396 -3.655 -2.315) 4.545 4.694 ( -2.384 1.026 1.819) 3.170 4.746 ( 1.973 -4.368 -2.804) 5.553 4.857 ( -1.111 -2.548 1.410) 3.117 4.897 ( 2.603 -0.394 0.480) 2.676 4.908 ( -0.324 0.986 -2.985) 3.160 4.932 ( 0.299 0.106 -1.206) 1.246 5.085 ( -3.786 -1.134 0.699) 4.013 5.104 ( 2.403 -1.475 -1.346) 3.125 5.173 ( -1.637 0.932 5.114) 5.450 5.251 ( 4.530 0.030 -1.703) 4.840 5.388 ( 2.818 -1.598 2.746) 4.247 5.450 ( -3.191 -0.493 -0.149) 3.232 5.561 ( -2.070 -0.128 2.355) 3.138 5.623 ( -0.517 -1.989 -0.130) 2.059 5.667 ( 1.248 -3.557 2.793) 4.692 5.672 ( -1.971 0.694 1.208) 2.414 5.804 ( 0.788 -1.886 1.785) 2.713 5.848 ( 0.122 -1.897 -1.769) 2.597 5.940 ( 0.828 -7.047 1.976) 7.365 5.979 ( -0.842 -6.838 -1.261) 7.004 6.183 ( 0.237 0.235 0.887) 0.948 6.198 ( -1.814 -1.352 -0.537) 2.325 6.471 ( -2.724 1.054 3.704) 4.717 6.548 ( 3.274 -1.867 -3.799) 5.351 6.676 ( 0.682 -0.556 0.321) 0.937 6.697 ( -1.177 0.618 -1.567) 2.055 8.280 ( -2.623 -0.493 1.378) 3.004 8.318 ( 3.299 -1.149 -1.995) 4.023 8.478 ( 0.116 -2.355 4.946) 5.479 8.596 ( 0.103 -5.971 -5.953) 8.433 9.210 ( -0.732 -2.405 1.918) 3.162 9.266 ( 1.118 -3.941 -2.974) 5.062 9.435 ( -1.845 -4.451 5.501) 7.312 9.569 ( 0.792 -4.659 -7.499) 8.864 9.894 ( -5.444 -1.033 1.202) 5.670 9.904 ( 2.548 -1.442 0.197) 2.935 10.352 ( 4.667 6.886 8.596) 11.962 10.524 ( -2.443 7.219 -4.782) 8.997 10.699 ( -4.123 1.520 -1.192) 4.553 10.727 ( 0.943 4.600 -1.789) 5.025 10.890 ( -0.111 4.750 2.311) 5.283 10.945 ( -1.278 5.990 -2.876) 6.767 11.132 ( 2.644 2.196 6.680) 7.513 11.265 ( -0.866 -1.778 -5.956) 6.275 11.611 ( 3.503 -3.897 3.231) 6.156 11.647 ( -0.176 -4.204 -0.464) 4.233 18.841 ( -1.015 3.509 2.590) 4.478 18.891 ( 1.505 4.132 -1.985) 4.825 19.094 ( 0.272 1.201 5.563) 5.698 19.244 ( -1.278 1.681 -7.738) 8.021 19.413 ( 0.251 -1.080 2.953) 3.154 19.451 ( 0.403 -0.521 -0.676) 0.944 19.557 ( 3.912 -0.082 5.026) 6.369 19.672 ( -1.771 0.800 -5.459) 5.794 19.933 ( 2.946 -7.603 1.594) 8.308 20.023 ( -7.693 -6.244 -6.809) 12.022 20.495 ( 3.119 1.867 3.200) 4.843 20.545 ( -2.460 1.013 -2.023) 3.343 20.784 ( -0.951 0.628 0.546) 1.263 20.792 ( 0.451 0.596 -0.330) 0.817 20.982 ( -2.542 0.071 2.583) 3.625 21.012 ( 4.715 -0.329 0.243) 4.733 ======================= Grid point 101 (52/65) ======================= q-point: ( 0.20 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 0.475 11.140 -2.566) 11.441 1.416 ( 3.181 3.426 6.266) 7.818 1.559 ( -7.036 2.572 4.279) 8.627 1.624 ( 8.513 11.018 -7.018) 15.593 1.674 ( 2.560 12.368 1.163) 12.684 1.723 ( 4.524 16.446 8.720) 19.157 1.912 ( 1.380 3.375 -1.205) 3.840 2.040 ( 2.985 -5.669 5.457) 8.416 2.132 ( -0.855 2.613 7.130) 7.642 2.183 ( 1.826 7.465 -2.642) 8.127 2.273 ( -2.966 9.248 0.992) 9.762 2.340 ( 2.595 2.713 -2.443) 4.479 2.402 ( -6.212 -1.337 0.656) 6.388 2.565 ( -3.396 2.143 -3.744) 5.490 2.620 ( -0.994 3.757 -2.227) 4.479 2.717 ( -7.944 1.222 3.862) 8.917 2.836 ( 2.314 0.050 -0.059) 2.315 2.860 ( 0.977 -1.277 -4.711) 4.978 2.971 ( 5.467 0.065 -2.182) 5.887 3.024 ( -2.631 2.224 2.264) 4.123 3.062 ( 0.896 1.442 -3.317) 3.726 3.129 ( 5.414 -3.928 -6.228) 9.139 3.187 ( 0.758 1.415 2.938) 3.348 3.267 ( 3.175 2.735 -2.935) 5.116 3.315 ( 0.833 5.350 -3.762) 6.593 3.381 ( -0.104 -0.051 -1.149) 1.155 3.402 ( 1.761 -0.126 0.980) 2.019 3.466 ( -1.372 0.936 1.181) 2.038 3.560 ( 2.558 0.588 0.946) 2.790 3.625 ( 2.414 2.221 -6.038) 6.872 3.703 ( -5.445 4.595 1.075) 7.206 3.737 ( -1.351 1.200 -1.109) 2.120 3.788 ( -8.437 1.182 3.836) 9.344 3.863 ( 2.531 1.235 3.503) 4.495 3.959 ( -2.286 -4.343 0.155) 4.910 3.996 ( -1.047 -1.302 3.787) 4.140 4.031 ( -4.063 -0.840 -2.922) 5.075 4.057 ( -0.326 -7.052 -1.106) 7.146 4.120 ( 2.819 2.122 2.635) 4.403 4.145 ( -4.020 -0.853 -0.009) 4.110 4.236 ( 2.129 -0.394 -2.654) 3.425 4.318 ( -5.461 -2.241 -0.060) 5.903 4.393 ( 7.431 0.544 -1.796) 7.665 4.481 ( 0.906 -9.505 -3.919) 10.321 4.536 ( -4.913 -2.240 3.024) 6.189 4.567 ( 0.314 -6.505 0.066) 6.513 4.630 ( -4.152 -0.657 -0.042) 4.204 4.752 ( 0.266 -4.701 -0.906) 4.795 4.768 ( -4.359 -3.542 0.468) 5.636 4.920 ( 2.494 -2.336 0.413) 3.442 4.963 ( 2.291 -0.958 -0.148) 2.487 5.021 ( -1.364 1.770 0.500) 2.289 5.025 ( 4.405 2.881 -1.835) 5.575 5.149 ( -2.254 -0.425 1.997) 3.041 5.175 ( 3.220 -3.747 1.018) 5.045 5.310 ( 2.466 3.425 -6.964) 8.143 5.372 ( -1.966 -1.346 -1.482) 2.806 5.448 ( -0.328 -1.829 2.816) 3.374 5.548 ( 0.551 -0.270 3.187) 3.245 5.613 ( -4.207 0.494 3.651) 5.592 5.642 ( 1.468 -1.675 0.162) 2.233 5.715 ( 0.499 -4.759 1.805) 5.114 5.809 ( -1.086 -1.497 0.461) 1.906 5.865 ( 2.685 -3.782 -0.405) 4.656 5.976 ( 1.654 -7.083 -1.646) 7.458 6.013 ( 4.126 -2.679 1.018) 5.024 6.115 ( -3.358 0.384 0.140) 3.383 6.192 ( -3.404 -4.011 1.956) 5.612 6.468 ( -0.124 2.163 2.951) 3.661 6.563 ( 0.232 0.375 -1.670) 1.727 6.657 ( 1.463 -0.521 -1.797) 2.375 6.720 ( 0.776 -1.028 0.285) 1.319 8.260 ( -0.385 0.497 1.020) 1.198 8.395 ( 5.351 -4.430 -2.193) 7.285 8.492 ( -1.394 -3.435 2.481) 4.460 8.562 ( 0.125 -4.012 -2.928) 4.968 9.231 ( 1.729 -3.524 1.625) 4.249 9.310 ( 5.177 -3.176 -2.387) 6.525 9.426 ( -3.894 -3.504 6.223) 8.135 9.515 ( -1.155 -4.277 -5.084) 6.743 9.847 ( -0.799 1.148 2.800) 3.130 9.996 ( 5.287 -2.959 2.496) 6.553 10.356 ( -6.792 7.751 -8.698) 13.486 10.490 ( 1.512 6.467 5.142) 8.400 10.637 ( -2.298 1.754 4.505) 5.353 10.776 ( 3.401 1.722 0.783) 3.891 10.880 ( -1.659 7.672 0.467) 7.863 10.925 ( -0.576 4.403 2.169) 4.942 11.166 ( -2.550 0.424 -3.564) 4.402 11.263 ( 4.724 -0.792 0.472) 4.813 11.587 ( -4.111 -2.351 -4.014) 6.208 11.643 ( -0.846 -4.619 -1.317) 4.877 18.823 ( -2.344 3.466 1.944) 4.614 18.886 ( -0.153 3.995 -2.788) 4.874 19.115 ( -1.906 3.819 2.624) 5.010 19.184 ( -0.597 -2.708 -0.642) 2.847 19.365 ( -1.892 -1.053 -1.946) 2.911 19.524 ( 1.793 1.292 0.979) 2.417 19.543 ( -2.491 -2.441 -6.303) 7.204 19.688 ( 3.782 2.477 1.806) 4.869 19.864 ( -3.066 -5.302 1.437) 6.291 20.120 ( 9.474 -8.569 6.742) 14.444 20.453 ( -4.504 2.996 -2.489) 5.954 20.565 ( 1.671 0.017 0.963) 1.929 20.767 ( -0.973 0.708 0.551) 1.323 20.812 ( 1.219 0.051 0.429) 1.293 20.918 ( -3.622 0.961 -0.298) 3.759 21.085 ( 2.667 -0.888 -2.862) 4.011 ======================= Grid point 102 (53/65) ======================= q-point: ( 0.40 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -6.595 8.154 4.478) 11.403 1.396 ( 0.034 11.543 3.377) 12.027 1.544 ( 4.032 6.848 -3.552) 8.705 1.611 ( 4.698 15.429 -10.005) 18.980 1.816 ( 2.440 9.843 2.983) 10.571 1.867 ( 0.777 11.928 8.373) 14.594 1.983 ( 1.489 2.759 3.169) 4.458 2.043 ( -9.586 6.096 7.903) 13.839 2.112 ( -1.484 5.496 6.201) 8.418 2.259 ( 7.814 0.608 -3.291) 8.500 2.289 ( 6.264 3.888 -4.592) 8.686 2.333 ( 4.496 -1.601 1.666) 5.055 2.460 ( 0.598 5.831 -3.315) 6.734 2.491 ( -4.929 -0.694 8.613) 9.948 2.545 ( 0.595 4.870 -8.564) 9.870 2.679 ( 2.505 -2.894 5.792) 6.943 2.753 ( -6.077 0.945 -7.071) 9.372 2.834 ( -4.982 1.810 -3.745) 6.490 2.940 ( 0.294 -3.307 0.633) 3.380 3.003 ( -4.645 3.798 1.764) 6.254 3.095 ( 5.225 -1.705 -1.401) 5.672 3.200 ( 3.659 -2.707 -0.908) 4.642 3.252 ( 1.853 0.416 -1.785) 2.607 3.273 ( -0.591 -0.950 -7.186) 7.272 3.321 ( -0.381 1.157 -0.949) 1.544 3.375 ( 0.877 -0.668 3.485) 3.655 3.414 ( -3.309 4.590 -1.044) 5.754 3.467 ( 5.516 3.656 -2.588) 7.105 3.512 ( -3.573 4.414 1.016) 5.769 3.586 ( -0.912 2.862 -2.177) 3.710 3.658 ( 2.139 3.281 -0.082) 3.918 3.681 ( -6.265 2.242 5.679) 8.748 3.782 ( 2.232 1.718 -1.256) 3.084 3.889 ( -2.670 3.016 -3.570) 5.383 3.924 ( -2.753 -5.647 0.849) 6.339 3.977 ( 3.608 -0.156 -3.311) 4.900 3.996 ( -2.291 -1.286 3.956) 4.749 4.039 ( -3.204 -3.097 2.729) 5.225 4.059 ( 0.755 -4.559 -3.818) 5.994 4.166 ( -1.319 -3.931 -4.016) 5.772 4.206 ( -2.726 0.464 4.882) 5.611 4.292 ( 4.935 -6.851 -3.303) 9.067 4.383 ( -3.424 -4.366 -1.118) 5.660 4.466 ( -2.300 -9.180 -0.442) 9.474 4.545 ( 2.337 -1.049 3.222) 4.117 4.565 ( -1.264 -3.229 0.754) 3.549 4.652 ( 4.324 -3.271 -0.286) 5.430 4.719 ( -2.130 -2.763 -0.506) 3.525 4.775 ( 4.275 -4.059 -0.238) 5.900 4.917 ( -3.226 1.439 -2.094) 4.106 4.984 ( 3.120 -0.630 0.114) 3.185 5.033 ( -1.367 0.057 -1.992) 2.416 5.057 ( 1.789 2.202 -1.468) 3.195 5.118 ( -2.112 0.379 0.966) 2.353 5.212 ( 0.304 -0.071 1.821) 1.848 5.297 ( 1.513 1.519 -2.415) 3.229 5.368 ( 1.309 -3.208 1.417) 3.743 5.443 ( -1.418 -2.179 0.590) 2.666 5.570 ( -3.096 0.036 4.035) 5.086 5.619 ( 2.410 1.653 3.431) 4.507 5.649 ( -1.291 -4.592 -1.440) 4.983 5.698 ( -1.088 -2.093 1.027) 2.573 5.824 ( 0.360 -3.494 2.743) 4.457 5.902 ( 1.428 -3.706 -2.161) 4.522 6.011 ( 2.285 -4.905 0.482) 5.432 6.063 ( 0.009 0.819 1.584) 1.784 6.080 ( -3.079 -2.274 1.202) 4.012 6.126 ( -0.165 -2.355 -2.198) 3.225 6.492 ( -0.395 2.004 3.346) 3.920 6.555 ( 0.401 1.966 -1.320) 2.402 6.691 ( 2.297 -1.876 -1.408) 3.283 6.713 ( -0.896 -1.895 -0.399) 2.134 8.278 ( 1.025 0.427 1.896) 2.198 8.398 ( -1.794 -2.828 -3.786) 5.054 8.523 ( -1.460 -5.246 3.939) 6.720 8.560 ( 4.136 -5.201 -3.146) 7.352 9.296 ( 2.836 -4.082 2.646) 5.631 9.376 ( -4.363 -4.416 4.241) 7.518 9.412 ( 6.508 -2.417 -3.112) 7.608 9.453 ( -2.431 -4.412 -2.418) 5.588 9.896 ( 2.637 2.840 4.526) 5.959 10.126 ( 4.042 -1.998 3.616) 5.780 10.167 ( -4.789 3.591 -6.252) 8.656 10.417 ( -6.225 -0.629 -4.558) 7.741 10.741 ( 3.434 4.972 8.718) 10.608 10.848 ( -0.332 6.139 2.777) 6.746 10.892 ( 5.613 3.784 3.721) 7.724 10.933 ( -0.956 7.038 4.020) 8.161 11.073 ( -2.732 3.537 -4.863) 6.605 11.328 ( -0.485 -1.439 -5.588) 5.791 11.468 ( -1.248 -2.263 -3.009) 3.966 11.582 ( -3.256 -4.533 -3.372) 6.521 18.796 ( -1.610 3.095 1.912) 3.978 18.855 ( -0.373 3.494 -2.910) 4.563 19.110 ( 0.365 1.845 1.186) 2.224 19.157 ( -2.714 -3.956 0.658) 4.842 19.334 ( 0.410 -0.872 -1.514) 1.795 19.429 ( -2.578 -1.426 -5.029) 5.828 19.585 ( 1.859 0.556 1.616) 2.526 19.687 ( -1.239 0.025 -3.499) 3.713 19.963 ( 6.252 0.849 9.517) 11.418 20.305 ( -2.677 3.676 -3.244) 5.586 20.373 ( 3.951 -7.057 7.391) 10.956 20.580 ( 0.119 -1.769 -1.265) 2.178 20.758 ( -0.537 0.829 1.102) 1.480 20.822 ( -1.182 0.445 -0.918) 1.562 20.886 ( 1.464 -0.367 1.036) 1.831 21.060 ( -1.861 -1.903 -5.568) 6.171 ======================= Grid point 103 (54/65) ======================= q-point: (-0.40 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -12.612 12.763 11.127) 21.114 1.422 ( -6.663 15.846 7.062) 18.584 1.621 ( 10.658 10.249 -12.516) 19.372 1.655 ( 8.103 8.644 -9.519) 15.198 1.779 ( -8.089 6.211 8.585) 13.330 1.898 ( -9.416 11.462 4.775) 15.583 1.990 ( 4.771 5.035 2.836) 7.494 2.082 ( 4.078 11.165 5.168) 12.962 2.134 ( 1.754 2.199 3.925) 4.829 2.261 ( -6.734 7.579 -0.391) 10.146 2.295 ( -1.171 10.508 -4.185) 11.371 2.367 ( -2.073 3.655 -6.243) 7.525 2.442 ( -0.023 1.318 -1.364) 1.897 2.474 ( 0.483 0.014 -5.992) 6.011 2.533 ( -2.950 -0.557 5.829) 6.557 2.699 ( 6.200 2.483 5.230) 8.483 2.736 ( -2.885 0.727 -6.413) 7.069 2.789 ( 6.589 -6.416 -1.684) 9.350 2.940 ( -1.325 0.322 7.931) 8.047 3.019 ( 2.636 -0.081 3.791) 4.618 3.116 ( -4.658 -2.668 -6.429) 8.376 3.130 ( -1.211 -1.601 -1.182) 2.330 3.227 ( -0.702 -1.986 -2.790) 3.496 3.277 ( 0.549 -0.708 -3.561) 3.672 3.333 ( 0.779 2.501 3.881) 4.682 3.371 ( -0.088 -1.562 -2.011) 2.548 3.447 ( 0.799 -0.316 0.759) 1.147 3.468 ( 1.438 3.386 -3.689) 5.210 3.521 ( 2.418 2.369 1.668) 3.774 3.534 ( -3.403 6.414 -0.769) 7.301 3.607 ( -2.068 3.250 1.833) 4.267 3.738 ( -1.510 2.191 0.023) 2.661 3.816 ( 2.461 -1.613 1.100) 3.141 3.849 ( 3.535 -1.843 0.869) 4.080 3.913 ( 3.811 0.362 -2.138) 4.385 3.973 ( -2.529 -1.119 3.371) 4.360 4.002 ( 1.999 -4.828 -6.069) 8.008 4.016 ( -2.266 -2.681 3.991) 5.316 4.080 ( 2.687 -0.678 -2.567) 3.778 4.162 ( 4.599 -0.527 -3.295) 5.682 4.204 ( 0.371 -7.361 2.227) 7.700 4.316 ( 3.137 -3.501 -2.031) 5.121 4.386 ( -2.999 -8.234 -0.560) 8.781 4.418 ( 0.832 -5.976 1.919) 6.332 4.586 ( 2.050 -1.147 0.689) 2.448 4.593 ( 0.719 -2.397 0.452) 2.543 4.654 ( -1.840 -3.489 -2.413) 4.624 4.719 ( 3.578 -1.221 -1.910) 4.236 4.834 ( -2.877 -0.459 -4.538) 5.393 4.882 ( 4.794 -1.033 0.702) 4.954 4.969 ( -2.717 -0.300 0.047) 2.734 5.020 ( 0.166 1.796 -0.143) 1.810 5.055 ( -1.631 1.496 -0.635) 2.302 5.114 ( 2.947 0.316 0.071) 2.964 5.230 ( -3.164 -0.375 3.311) 4.595 5.249 ( -3.450 -0.507 0.192) 3.492 5.397 ( -1.107 -2.195 -1.337) 2.799 5.471 ( 4.694 -1.918 -0.670) 5.114 5.555 ( -2.217 -1.307 5.962) 6.494 5.611 ( -0.243 -3.211 0.396) 3.245 5.653 ( -2.187 -0.234 1.102) 2.460 5.696 ( -0.198 0.653 1.264) 1.437 5.826 ( -2.735 -5.576 2.878) 6.845 5.875 ( -2.044 -2.972 -0.282) 3.618 6.006 ( -2.852 -4.361 1.438) 5.405 6.061 ( -1.342 0.478 1.095) 1.797 6.090 ( 3.114 -0.164 -0.864) 3.236 6.152 ( 4.765 -2.500 -3.399) 6.365 6.498 ( -1.312 2.308 3.003) 4.009 6.551 ( -0.214 1.605 -0.929) 1.867 6.661 ( -2.547 -1.847 0.113) 3.148 6.742 ( 2.661 -2.665 -2.069) 4.297 8.310 ( -0.754 -0.922 1.718) 2.090 8.347 ( 0.688 -0.447 -2.069) 2.225 8.475 ( -5.303 -4.043 3.911) 7.731 8.622 ( 3.708 -7.090 -4.198) 9.036 9.297 ( -5.134 -2.151 3.481) 6.566 9.364 ( -0.686 -4.461 1.309) 4.699 9.393 ( -0.816 -5.868 -0.603) 5.955 9.519 ( 7.317 -4.412 -5.828) 10.343 9.956 ( -3.314 2.614 2.566) 4.940 10.061 ( 4.078 4.450 -2.469) 6.521 10.214 ( -7.042 -3.603 0.840) 7.955 10.317 ( 4.989 -3.384 1.799) 6.291 10.807 ( -1.393 7.905 1.896) 8.248 10.843 ( 0.425 4.606 -0.036) 4.626 10.959 ( 0.371 7.747 4.979) 9.216 10.999 ( -0.322 6.992 -1.669) 7.196 11.125 ( 2.885 1.640 2.559) 4.190 11.141 ( -1.293 1.741 -6.087) 6.462 11.479 ( -3.291 -3.974 -2.075) 5.562 11.536 ( 4.100 -5.141 0.457) 6.591 18.797 ( -0.084 2.928 2.435) 3.809 18.842 ( 1.295 3.456 -2.307) 4.352 19.088 ( -3.097 -1.590 1.450) 3.771 19.176 ( 4.358 -1.414 0.357) 4.595 19.351 ( 0.427 -0.803 0.685) 1.138 19.368 ( 0.156 -1.021 -2.632) 2.828 19.612 ( -1.447 0.048 0.778) 1.643 19.653 ( 1.400 0.511 -2.124) 2.595 20.141 ( -5.317 1.230 -5.856) 8.005 20.168 ( 5.568 5.520 6.473) 10.167 20.462 ( -4.139 -5.258 3.491) 7.548 20.585 ( 3.405 -4.087 -3.195) 6.205 20.776 ( 1.206 0.671 3.025) 3.325 20.789 ( -0.477 1.008 -1.757) 2.081 20.941 ( -2.451 -1.914 -1.141) 3.313 20.959 ( 0.016 -1.795 0.228) 1.810 ======================= Grid point 104 (55/65) ======================= q-point: (-0.20 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -5.304 12.584 12.314) 18.388 1.362 ( -5.514 15.337 12.307) 20.423 1.659 ( 2.690 4.643 -9.806) 11.178 1.686 ( -3.185 14.182 -5.627) 15.587 1.731 ( -2.492 4.856 3.731) 6.612 1.808 ( -1.508 8.375 9.551) 12.792 1.885 ( -7.531 8.171 -10.459) 15.260 2.086 ( -8.093 7.546 -5.450) 12.334 2.167 ( 1.335 6.748 0.733) 6.918 2.259 ( 0.618 8.734 1.466) 8.877 2.272 ( -3.495 8.032 4.284) 9.751 2.358 ( 3.912 4.714 -5.831) 8.458 2.385 ( 2.693 6.256 6.409) 9.353 2.421 ( 4.194 -3.338 -6.202) 8.197 2.667 ( 5.831 -2.521 7.102) 9.528 2.733 ( 4.419 2.469 -0.150) 5.065 2.775 ( -1.603 -2.361 0.570) 2.910 2.884 ( 0.285 -5.069 -1.278) 5.235 2.928 ( 3.965 0.603 -1.912) 4.443 3.012 ( -2.606 0.290 -1.916) 3.247 3.078 ( 0.523 2.367 -2.566) 3.530 3.145 ( -4.097 -0.575 -0.176) 4.140 3.203 ( 1.504 -2.007 2.039) 3.232 3.220 ( -4.401 2.727 0.439) 5.196 3.241 ( 0.052 -0.413 -2.507) 2.541 3.371 ( -0.275 -3.848 -0.015) 3.858 3.424 ( -2.839 3.142 -0.641) 4.283 3.450 ( -2.350 0.272 6.139) 6.579 3.559 ( -0.969 3.745 -1.822) 4.276 3.583 ( 4.359 0.231 -3.462) 5.571 3.680 ( 6.379 2.400 2.958) 7.430 3.730 ( 1.192 -2.087 -1.110) 2.647 3.788 ( -3.092 1.532 5.486) 6.481 3.927 ( 2.512 -1.478 -4.619) 5.461 3.950 ( -0.200 -4.111 2.154) 4.646 3.991 ( 1.547 -0.470 3.127) 3.520 4.025 ( 2.366 -0.870 1.015) 2.717 4.030 ( 4.603 -5.030 -2.306) 7.198 4.110 ( 0.558 2.656 -1.741) 3.224 4.207 ( -1.058 -5.013 -2.961) 5.918 4.275 ( 7.240 -0.686 -3.507) 8.074 4.341 ( -1.031 -5.517 0.035) 5.613 4.393 ( 2.119 -1.750 2.015) 3.408 4.405 ( -2.274 0.031 -0.359) 2.303 4.566 ( -2.146 -4.415 -0.258) 4.916 4.623 ( 4.296 -3.233 -4.630) 7.095 4.654 ( 3.244 -3.113 -1.852) 4.862 4.756 ( 1.060 -3.636 -1.428) 4.048 4.791 ( 2.711 -2.596 -2.545) 4.535 4.918 ( -3.810 -1.548 0.340) 4.127 4.959 ( 1.163 3.154 1.043) 3.520 4.970 ( -2.240 -0.135 0.568) 2.315 5.076 ( 1.567 1.305 -1.352) 2.447 5.144 ( -2.860 -0.380 3.592) 4.607 5.171 ( -1.932 0.229 0.998) 2.186 5.199 ( -0.156 -1.841 -0.062) 1.849 5.368 ( -1.158 -0.195 -0.703) 1.368 5.498 ( -1.391 -0.817 0.567) 1.710 5.580 ( -2.685 -2.745 2.046) 4.351 5.592 ( 0.780 -2.118 5.836) 6.257 5.641 ( 0.838 -0.685 -2.353) 2.590 5.701 ( -1.227 0.127 2.551) 2.833 5.788 ( -1.467 -2.748 1.908) 3.653 5.857 ( -0.887 -3.659 1.555) 4.074 5.959 ( -2.311 -6.010 -0.688) 6.476 6.023 ( -2.871 -2.858 0.430) 4.074 6.133 ( 3.115 2.097 -1.415) 4.013 6.222 ( 2.261 -3.382 -1.228) 4.250 6.493 ( -1.356 1.573 2.315) 3.110 6.531 ( -0.620 0.662 -0.567) 1.069 6.642 ( 1.129 -0.335 -0.581) 1.313 6.749 ( -0.684 -2.746 -2.099) 3.523 8.290 ( 0.039 -0.481 -1.095) 1.197 8.346 ( -3.458 -2.977 1.566) 4.824 8.435 ( -0.080 -0.531 3.631) 3.670 8.631 ( 0.992 -6.967 -5.013) 8.640 9.233 ( -3.128 -1.780 1.568) 3.926 9.305 ( -2.660 -4.408 -1.791) 5.451 9.418 ( -0.003 -5.489 3.427) 6.471 9.581 ( 4.320 -5.144 -7.696) 10.215 9.894 ( -1.407 0.257 -1.149) 1.834 10.037 ( -8.601 -3.314 -1.271) 9.305 10.195 ( 5.944 5.881 5.587) 10.056 10.469 ( 5.374 -0.955 5.339) 7.635 10.759 ( -2.137 6.898 -1.872) 7.460 10.846 ( -3.326 7.703 -2.093) 8.647 10.893 ( -3.329 1.735 -8.324) 9.131 10.982 ( -0.115 8.154 -2.471) 8.521 11.037 ( 1.778 5.503 6.255) 8.518 11.309 ( 0.967 -4.071 -0.262) 4.192 11.471 ( 4.985 -1.252 5.248) 7.346 11.616 ( 2.845 -5.163 1.200) 6.016 18.823 ( 0.351 3.254 2.996) 4.437 18.865 ( 2.427 3.937 -1.887) 4.995 19.063 ( -0.824 -0.059 2.612) 2.740 19.278 ( 4.843 -3.536 -2.542) 6.513 19.331 ( 0.822 1.070 -0.361) 1.397 19.425 ( 2.900 -1.734 4.251) 5.430 19.555 ( -3.514 0.845 -1.805) 4.040 19.685 ( 1.586 2.680 0.123) 3.116 19.971 ( -4.351 -3.468 -7.091) 9.013 20.251 ( -7.420 -1.708 -3.150) 8.240 20.390 ( 3.147 -0.165 2.185) 3.834 20.596 ( -0.587 -1.601 -2.335) 2.891 20.779 ( 0.483 0.969 -0.858) 1.382 20.820 ( -1.549 -0.931 0.115) 1.811 20.889 ( 3.480 0.772 2.282) 4.232 21.006 ( -0.756 -1.507 4.585) 4.885 ======================= Grid point 105 (56/65) ======================= q-point: ( 0.00 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 2.024 5.297 7.354) 9.286 1.466 ( -5.035 -0.627 -4.905) 7.057 1.652 ( -6.126 -0.313 8.492) 10.476 1.676 ( -0.686 -1.648 12.588) 12.714 1.835 ( -8.319 12.834 -2.403) 15.483 1.950 ( 5.280 6.570 2.029) 8.669 2.031 ( 0.284 9.887 -6.193) 11.670 2.089 ( -3.780 9.567 -10.481) 14.686 2.206 ( -1.643 3.951 5.474) 6.947 2.285 ( 0.649 -2.473 -4.082) 4.817 2.361 ( 1.617 5.594 3.523) 6.806 2.440 ( -1.594 4.082 -0.492) 4.409 2.556 ( -4.200 3.853 -1.485) 5.890 2.640 ( -0.765 -0.490 0.087) 0.913 2.647 ( 1.479 0.310 -6.190) 6.371 2.742 ( 2.712 -3.237 -8.737) 9.703 2.790 ( 3.462 -0.409 6.287) 7.189 2.868 ( 1.093 1.928 1.913) 2.927 2.900 ( 5.637 -4.737 -4.706) 8.738 2.972 ( 2.709 0.205 -7.155) 7.653 3.042 ( -2.297 1.854 2.091) 3.618 3.113 ( 3.998 1.036 -3.375) 5.333 3.248 ( -0.102 1.387 4.560) 4.767 3.288 ( -0.179 1.092 1.568) 1.919 3.325 ( -2.368 -0.353 3.645) 4.361 3.381 ( 4.478 -2.431 2.969) 5.897 3.406 ( 4.233 2.479 -1.180) 5.046 3.447 ( -1.628 -1.707 -2.446) 3.398 3.543 ( -0.542 -2.258 -0.804) 2.457 3.584 ( 0.217 1.074 -1.093) 1.547 3.640 ( 0.650 -6.100 1.320) 6.275 3.697 ( -1.569 -12.860 -5.492) 14.071 3.848 ( -2.571 2.310 6.373) 7.250 3.902 ( 3.112 2.609 -0.183) 4.066 3.929 ( 0.393 -0.733 6.173) 6.229 4.005 ( 0.682 4.943 4.618) 6.799 4.020 ( -2.263 1.316 -0.923) 2.776 4.063 ( -0.731 -1.085 -3.544) 3.778 4.137 ( -2.386 -4.765 6.197) 8.174 4.218 ( 2.760 2.690 2.671) 4.689 4.230 ( -0.459 3.505 -2.009) 4.066 4.287 ( -1.435 -0.458 0.235) 1.524 4.356 ( 2.875 -1.709 -7.775) 8.464 4.417 ( 0.212 4.225 -7.678) 8.766 4.509 ( -0.621 -2.304 1.329) 2.731 4.541 ( -1.350 -4.640 -2.372) 5.383 4.713 ( -0.714 1.739 1.763) 2.577 4.733 ( -0.395 3.692 0.510) 3.748 4.811 ( 0.462 -2.043 2.569) 3.314 4.892 ( -1.333 -1.037 -4.354) 4.670 4.949 ( 6.539 1.571 1.860) 6.977 4.991 ( -5.849 3.781 -1.328) 7.090 5.077 ( 0.453 1.846 2.148) 2.869 5.147 ( -0.413 4.179 -2.995) 5.158 5.201 ( -4.124 2.324 3.197) 5.712 5.243 ( 5.422 -1.820 0.564) 5.747 5.392 ( 1.173 2.000 2.159) 3.168 5.443 ( -2.268 0.155 -0.024) 2.274 5.542 ( 0.568 -2.527 2.879) 3.873 5.575 ( -2.053 -3.372 -1.091) 4.095 5.611 ( -0.061 -2.145 3.004) 3.691 5.674 ( -2.114 -1.756 0.092) 2.750 5.729 ( 0.220 -9.997 -0.019) 10.000 5.751 ( 4.585 -6.399 -4.254) 8.949 5.842 ( -0.455 0.547 3.140) 3.219 5.894 ( -1.470 0.880 -2.190) 2.780 6.074 ( -2.010 -10.336 1.788) 10.681 6.113 ( 0.067 -6.996 -1.601) 7.177 6.514 ( -1.095 3.242 2.275) 4.109 6.553 ( 0.882 2.420 -1.364) 2.915 6.649 ( -0.246 -1.897 1.480) 2.419 6.687 ( 0.343 -1.696 -1.970) 2.622 8.279 ( -0.851 0.259 0.512) 1.026 8.300 ( 1.533 -0.768 -1.316) 2.161 8.445 ( -0.372 -0.970 1.848) 2.120 8.498 ( 0.259 -4.040 -3.096) 5.096 9.195 ( -0.878 0.355 0.507) 1.074 9.226 ( 1.141 -0.930 -2.080) 2.548 9.387 ( -0.486 -0.452 4.093) 4.147 9.486 ( 1.165 -4.188 -5.339) 6.885 9.884 ( -3.351 -0.112 1.167) 3.550 9.888 ( 0.800 -0.346 0.865) 1.228 10.459 ( 4.203 4.526 10.407) 12.102 10.578 ( 2.457 -1.072 7.328) 7.803 10.728 ( -5.585 2.460 -10.195) 11.882 10.777 ( -2.170 0.816 -6.749) 7.136 10.967 ( 0.578 2.737 1.349) 3.105 11.012 ( -2.727 0.928 -3.016) 4.171 11.230 ( 0.408 7.446 3.646) 8.301 11.290 ( 1.814 4.213 -2.216) 5.094 11.521 ( 2.299 -5.414 2.345) 6.333 11.541 ( 0.366 -6.750 0.442) 6.775 18.911 ( -1.266 3.638 3.539) 5.231 18.962 ( 0.870 2.731 -0.057) 2.866 19.107 ( 0.545 0.787 2.896) 3.050 19.226 ( 1.489 -3.144 -6.413) 7.296 19.415 ( 2.143 1.038 3.206) 3.994 19.450 ( 0.332 -0.095 1.010) 1.067 19.582 ( 2.738 3.069 3.266) 5.251 19.709 ( -5.381 3.158 -7.427) 9.700 19.792 ( 3.815 -6.983 2.342) 8.294 19.905 ( -8.467 -6.157 -7.851) 13.086 20.529 ( 2.055 1.634 1.772) 3.167 20.557 ( -0.814 0.232 -1.172) 1.445 20.796 ( -0.897 0.555 0.577) 1.203 20.803 ( 0.451 0.355 -0.174) 0.600 20.982 ( -1.448 0.040 2.631) 3.004 21.001 ( 3.800 -0.761 1.108) 4.031 ======================= Grid point 106 (57/65) ======================= q-point: ( 0.20 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 7.060 3.214 -4.290) 8.865 1.514 ( 6.365 1.925 11.125) 12.961 1.615 ( -5.081 4.892 10.954) 13.028 1.702 ( 1.179 5.192 1.830) 5.630 1.827 ( 1.386 -3.915 16.795) 17.301 1.957 ( -0.224 5.617 -5.011) 7.531 2.028 ( 4.644 9.276 -1.826) 10.533 2.112 ( -4.671 11.476 1.531) 12.485 2.135 ( -2.944 2.453 4.421) 5.850 2.285 ( 3.153 3.421 -4.696) 6.610 2.362 ( -2.705 2.000 8.818) 9.438 2.430 ( -2.701 4.184 -5.377) 7.329 2.502 ( 4.210 7.476 2.451) 8.923 2.561 ( -3.535 -0.993 -1.219) 3.869 2.645 ( -0.380 -0.945 -3.586) 3.728 2.738 ( -1.728 -0.601 -5.834) 6.114 2.820 ( -1.353 -0.252 -5.412) 5.584 2.868 ( 0.805 2.037 -1.064) 2.435 2.962 ( 3.621 -2.099 -8.515) 9.488 2.999 ( 5.620 -5.647 -2.782) 8.438 3.056 ( 1.654 1.668 2.079) 3.137 3.142 ( 1.587 3.242 -4.928) 6.108 3.231 ( -2.542 3.588 3.205) 5.442 3.257 ( -2.068 -2.985 -0.894) 3.739 3.335 ( -2.331 -3.252 1.151) 4.163 3.369 ( 1.268 -0.580 -2.971) 3.282 3.413 ( -0.168 0.720 -2.074) 2.202 3.483 ( 3.032 -2.066 -2.791) 4.610 3.556 ( 2.473 -6.551 -0.566) 7.025 3.603 ( -3.467 -10.678 -0.826) 11.257 3.659 ( -0.406 -1.123 -0.727) 1.398 3.681 ( 6.314 1.551 0.063) 6.502 3.817 ( -6.141 4.924 0.274) 7.876 3.880 ( -2.883 -0.836 2.691) 4.031 3.919 ( -5.251 -0.960 -1.634) 5.583 3.961 ( 0.149 1.217 3.629) 3.831 4.024 ( -1.137 0.562 2.553) 2.850 4.079 ( 2.367 2.056 -2.426) 3.964 4.118 ( -4.599 -1.612 2.200) 5.347 4.189 ( -1.454 3.048 3.714) 5.020 4.270 ( -3.308 0.562 -5.377) 6.338 4.301 ( -1.173 -3.957 -2.095) 4.629 4.310 ( 1.953 4.035 -1.065) 4.607 4.395 ( 3.740 -1.695 -1.089) 4.248 4.490 ( 1.066 1.050 2.948) 3.306 4.544 ( 0.044 0.338 -1.537) 1.575 4.659 ( -5.895 0.473 0.781) 5.965 4.708 ( -6.642 -2.054 1.198) 7.055 4.725 ( 0.369 4.334 -1.107) 4.489 4.915 ( 3.834 0.234 -0.686) 3.902 4.962 ( 3.080 1.821 0.498) 3.612 5.066 ( -1.725 3.226 1.332) 3.893 5.108 ( 1.567 -0.980 0.197) 1.859 5.125 ( 3.134 4.874 -0.928) 5.868 5.172 ( -0.319 0.832 2.259) 2.428 5.352 ( 2.252 -0.689 1.812) 2.971 5.358 ( -2.029 0.104 -5.568) 5.927 5.426 ( -1.169 -0.025 1.092) 1.600 5.521 ( -1.271 -2.699 1.439) 3.312 5.581 ( -0.683 -3.000 1.861) 3.595 5.607 ( -0.550 -2.996 2.719) 4.084 5.667 ( -0.277 -1.222 1.886) 2.264 5.760 ( 4.051 -5.792 -1.063) 7.148 5.803 ( -1.297 -3.753 0.269) 3.980 5.826 ( 2.988 -3.032 -1.181) 4.417 5.946 ( 4.216 -2.425 0.638) 4.905 6.037 ( -3.101 -7.638 2.939) 8.752 6.079 ( -2.333 -7.123 -0.798) 7.537 6.521 ( -0.099 3.183 2.203) 3.872 6.572 ( 1.861 1.085 -1.280) 2.506 6.642 ( -0.760 -1.071 0.550) 1.424 6.679 ( -0.148 -2.611 -1.185) 2.871 8.274 ( 0.211 0.976 0.401) 1.076 8.330 ( 2.471 -2.481 -1.596) 3.848 8.447 ( -0.527 -1.232 1.606) 2.092 8.490 ( 0.364 -3.260 -1.697) 3.693 9.202 ( 1.335 0.120 0.729) 1.526 9.262 ( 3.208 -2.236 -0.999) 4.036 9.393 ( -1.472 -0.042 2.536) 2.933 9.452 ( -0.507 -2.561 -4.744) 5.414 9.877 ( 1.050 1.900 2.614) 3.398 9.949 ( 3.994 -2.014 2.526) 5.137 10.474 ( -7.748 4.805 -8.704) 12.604 10.563 ( -4.411 0.969 -1.757) 4.847 10.664 ( 1.532 1.980 9.066) 9.406 10.762 ( 3.273 -2.154 3.676) 5.373 10.967 ( -0.651 2.729 -0.101) 2.807 11.014 ( 1.981 2.008 3.535) 4.522 11.220 ( -2.523 5.848 -0.391) 6.381 11.306 ( 1.966 4.948 -3.255) 6.241 11.510 ( -2.591 -5.725 -3.164) 7.035 11.537 ( -0.952 -6.120 -1.207) 6.311 18.892 ( -2.906 3.660 2.749) 5.422 18.954 ( -1.147 2.495 -1.390) 3.078 19.122 ( -1.336 -1.188 2.662) 3.207 19.177 ( -0.541 -0.051 -6.900) 6.921 19.360 ( -3.161 1.338 -0.723) 3.508 19.485 ( -2.182 -3.534 -4.158) 5.877 19.567 ( -0.188 3.232 -0.262) 3.248 19.740 ( -2.294 -1.155 -3.397) 4.258 19.771 ( 6.627 -0.326 7.226) 9.810 19.972 ( 9.057 -6.913 9.155) 14.616 20.507 ( -2.835 2.463 -2.338) 4.424 20.561 ( 0.338 -0.522 -0.262) 0.675 20.783 ( -0.875 0.899 0.730) 1.451 20.811 ( 0.451 -0.324 0.229) 0.601 20.947 ( -2.500 2.084 -0.789) 3.349 21.050 ( 1.306 -2.616 -2.617) 3.925 ======================= Grid point 107 (58/65) ======================= q-point: ( 0.40 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -2.949 11.450 7.729) 14.126 1.608 ( -0.797 10.904 7.682) 13.362 1.660 ( 10.971 6.374 2.210) 12.879 1.855 ( -10.760 -4.751 9.882) 15.363 1.867 ( 1.739 9.704 -4.800) 10.965 1.985 ( 4.481 -0.843 7.673) 8.926 2.073 ( 0.025 5.784 1.605) 6.002 2.113 ( 7.482 -1.404 10.694) 13.127 2.210 ( 5.657 8.340 4.025) 10.852 2.274 ( -1.576 3.991 -2.974) 5.221 2.354 ( 0.330 2.054 -4.114) 4.610 2.425 ( 2.173 9.509 0.074) 9.754 2.510 ( 1.981 1.420 1.335) 2.779 2.553 ( -5.598 0.158 -4.096) 6.938 2.610 ( -1.473 3.690 -8.201) 9.113 2.667 ( 4.452 1.783 5.484) 7.285 2.744 ( -1.251 -1.180 -2.876) 3.351 2.871 ( -3.098 -3.107 -4.033) 5.959 2.910 ( -1.315 3.478 -4.859) 6.118 3.032 ( -5.170 -4.513 -1.851) 7.108 3.067 ( 0.360 -0.938 -1.744) 2.013 3.120 ( 6.098 -1.748 -0.864) 6.402 3.209 ( -4.360 -4.766 -5.192) 8.287 3.237 ( -1.282 -1.779 -0.381) 2.226 3.287 ( 1.337 -3.496 -1.899) 4.198 3.385 ( 2.170 0.916 -0.600) 2.430 3.425 ( -2.447 -3.743 0.621) 4.515 3.514 ( 5.792 -0.474 -3.470) 6.768 3.573 ( -1.974 -3.164 -1.221) 3.924 3.581 ( 0.757 -4.529 5.755) 7.362 3.640 ( -2.960 3.151 -3.716) 5.700 3.687 ( 1.540 -0.132 -2.292) 2.765 3.755 ( 1.697 0.229 -2.564) 3.083 3.824 ( -2.262 -2.779 -1.644) 3.943 3.888 ( -1.124 -3.625 1.853) 4.224 3.945 ( -5.441 -4.497 -0.735) 7.097 3.986 ( -3.777 0.872 0.756) 3.949 4.009 ( -2.182 -0.562 -2.057) 3.052 4.113 ( 1.273 1.230 -0.678) 1.896 4.137 ( -4.616 1.083 -2.996) 5.609 4.222 ( 3.092 1.725 0.712) 3.612 4.251 ( 1.063 2.791 -0.619) 3.050 4.306 ( -3.400 -2.764 1.336) 4.581 4.414 ( -4.514 8.192 -3.745) 10.075 4.558 ( 3.939 1.399 3.951) 5.751 4.582 ( 2.269 0.750 1.202) 2.675 4.606 ( 1.776 0.498 1.438) 2.339 4.655 ( -0.596 -3.840 1.069) 4.031 4.767 ( 5.239 4.141 -0.243) 6.682 4.950 ( -3.680 3.062 0.841) 4.861 5.028 ( 3.803 3.901 0.340) 5.459 5.048 ( -0.635 1.462 -1.233) 2.015 5.103 ( 0.346 0.301 0.734) 0.865 5.143 ( -0.611 2.073 -0.312) 2.183 5.220 ( 0.280 -0.539 1.701) 1.806 5.307 ( 2.777 -0.286 -0.154) 2.796 5.346 ( -1.654 -2.277 -3.574) 4.549 5.379 ( -3.388 0.259 0.061) 3.398 5.550 ( -1.014 -3.584 2.297) 4.376 5.556 ( -0.333 -2.871 1.044) 3.073 5.652 ( 1.769 -1.094 2.480) 3.237 5.666 ( -1.612 -0.527 3.975) 4.321 5.776 ( -2.833 -1.250 4.670) 5.603 5.834 ( 2.329 -3.624 -1.698) 4.630 5.874 ( 1.762 -7.668 0.798) 7.908 5.973 ( -0.978 -7.488 -0.123) 7.553 6.037 ( 2.291 -4.183 -2.182) 5.245 6.047 ( -0.204 -3.976 0.530) 4.017 6.536 ( -0.209 2.546 2.371) 3.485 6.588 ( 0.559 1.421 -1.169) 1.923 6.644 ( 0.205 -2.396 0.165) 2.411 6.661 ( -0.168 -2.548 -1.286) 2.859 8.292 ( 0.867 0.991 1.014) 1.662 8.350 ( 0.529 -2.273 -2.155) 3.177 8.454 ( -0.930 -1.836 2.254) 3.052 8.484 ( 1.304 -2.919 -1.835) 3.686 9.250 ( 2.487 -0.888 1.391) 2.984 9.301 ( -0.497 -3.214 1.478) 3.573 9.386 ( 0.905 -0.635 -1.549) 1.903 9.402 ( -0.901 -1.468 -3.638) 4.025 9.955 ( 3.759 3.224 4.821) 6.911 10.069 ( 5.172 -2.924 5.255) 7.932 10.251 ( -7.916 4.231 -8.221) 12.172 10.381 ( -8.315 -2.664 -6.714) 11.014 10.817 ( 3.872 3.330 9.865) 11.108 10.896 ( 6.178 -0.273 8.358) 10.398 10.973 ( 0.301 4.837 1.279) 5.012 11.070 ( 0.663 4.306 3.243) 5.431 11.152 ( -2.904 4.962 -1.989) 6.084 11.305 ( 0.449 0.535 -6.726) 6.762 11.413 ( -2.701 -3.909 -4.000) 6.211 11.480 ( -2.823 -5.806 -3.369) 7.281 18.858 ( -2.227 3.233 2.413) 4.609 18.912 ( -1.292 1.962 -1.755) 2.933 19.099 ( -2.055 -1.422 0.734) 2.605 19.132 ( 0.814 -0.162 -4.725) 4.797 19.325 ( -0.512 0.292 0.100) 0.598 19.395 ( -2.100 -2.163 -3.923) 4.947 19.592 ( 1.242 0.513 0.937) 1.639 19.662 ( -2.169 -2.399 -2.375) 4.012 20.013 ( 8.891 4.248 10.808) 14.625 20.225 ( 7.772 -6.589 11.973) 15.721 20.404 ( -4.945 4.484 -5.788) 8.835 20.539 ( -1.316 -2.588 -3.216) 4.332 20.778 ( -0.275 1.282 1.286) 1.837 20.824 ( 0.329 -0.564 0.308) 0.722 20.896 ( -1.010 1.664 -1.463) 2.435 21.008 ( -2.257 -3.321 -5.169) 6.546 ======================= Grid point 108 (59/65) ======================= q-point: (-0.40 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -9.805 16.705 8.554) 21.175 1.640 ( -10.049 7.108 9.062) 15.284 1.738 ( 2.485 1.586 5.928) 6.621 1.846 ( 2.577 9.884 -6.009) 11.851 1.922 ( 0.787 9.489 1.455) 9.632 1.974 ( -4.193 -0.354 6.297) 7.573 2.081 ( 3.001 0.092 -2.525) 3.923 2.204 ( -0.954 7.698 -1.173) 7.845 2.279 ( -0.940 7.784 -1.223) 7.936 2.314 ( 1.918 -1.368 -2.343) 3.323 2.428 ( 0.687 -2.486 -3.430) 4.292 2.443 ( 2.216 2.030 2.343) 3.811 2.471 ( 5.422 1.470 -3.680) 6.716 2.513 ( 0.765 7.402 -7.285) 10.414 2.597 ( -0.339 5.521 5.586) 7.862 2.683 ( -0.629 1.303 -9.030) 9.145 2.749 ( -0.181 3.872 3.180) 5.014 2.809 ( 3.483 3.880 1.900) 5.550 2.939 ( -0.368 -1.896 3.869) 4.324 2.944 ( 1.087 -5.851 4.974) 7.756 3.055 ( -4.456 -2.941 -5.377) 7.577 3.090 ( 2.853 -2.194 -2.881) 4.610 3.168 ( -3.985 -5.903 -4.053) 8.194 3.210 ( -0.446 -8.344 0.020) 8.356 3.317 ( 4.089 -3.467 3.668) 6.495 3.343 ( -2.001 -3.205 -3.652) 5.255 3.433 ( -4.949 2.441 4.182) 6.923 3.488 ( -1.732 0.674 -7.753) 7.972 3.538 ( 0.517 -0.975 2.159) 2.425 3.612 ( 2.577 0.867 0.293) 2.734 3.683 ( 1.962 -4.554 0.523) 4.986 3.705 ( -2.481 3.531 0.768) 4.383 3.781 ( 0.124 -2.269 -2.768) 3.581 3.784 ( 4.057 -5.461 -5.571) 8.793 3.838 ( 0.253 0.462 2.732) 2.783 3.886 ( 2.218 -2.763 2.650) 4.424 3.963 ( 0.089 -4.064 1.306) 4.270 4.006 ( 1.126 -3.088 0.004) 3.287 4.071 ( -2.462 0.009 2.173) 3.283 4.150 ( 2.358 -3.510 -0.475) 4.255 4.244 ( 0.263 6.120 -2.339) 6.556 4.295 ( 1.429 3.045 0.773) 3.452 4.330 ( 3.571 6.988 1.472) 7.984 4.355 ( 5.590 0.820 -4.650) 7.317 4.581 ( -0.843 0.457 0.070) 0.962 4.592 ( -1.638 -0.870 0.008) 1.855 4.626 ( -2.137 1.752 0.577) 2.823 4.688 ( 2.343 -2.222 -0.534) 3.273 4.828 ( -5.298 1.134 -5.305) 7.583 4.923 ( 7.574 5.172 2.567) 9.524 5.008 ( -3.802 2.908 2.014) 5.193 5.063 ( -1.043 2.645 -1.312) 3.131 5.098 ( 0.331 1.018 0.695) 1.277 5.142 ( 1.138 1.480 -0.961) 2.100 5.217 ( -3.217 -1.045 2.430) 4.165 5.272 ( -4.618 3.809 0.885) 6.051 5.359 ( 4.554 -3.285 -2.936) 6.336 5.413 ( 5.710 -1.260 -2.013) 6.184 5.521 ( -3.101 -2.321 3.855) 5.465 5.558 ( -0.926 -2.933 1.639) 3.485 5.649 ( -2.718 -0.699 3.301) 4.333 5.700 ( 0.759 -1.604 1.481) 2.312 5.745 ( -3.995 -1.881 4.765) 6.496 5.811 ( -4.362 -5.356 3.176) 7.603 5.885 ( -0.642 -5.428 -1.503) 5.668 5.999 ( 4.865 -8.784 -3.318) 10.575 6.037 ( -1.001 -2.202 -1.285) 2.739 6.070 ( 2.366 -4.610 -1.385) 5.364 6.545 ( -1.041 2.356 2.336) 3.477 6.581 ( -0.278 1.551 -1.138) 1.944 6.622 ( -1.390 -1.544 0.733) 2.203 6.680 ( 1.945 -3.029 -1.620) 3.948 8.302 ( -1.147 0.046 1.097) 1.587 8.331 ( -0.403 -1.229 -1.446) 1.940 8.436 ( -1.551 -0.135 1.811) 2.388 8.515 ( 2.467 -4.246 -2.589) 5.551 9.265 ( -3.119 -0.948 0.798) 3.357 9.302 ( 1.033 -2.839 1.301) 3.289 9.337 ( -2.359 0.223 -0.378) 2.400 9.437 ( 4.696 -4.072 -4.323) 7.571 10.012 ( -5.782 3.363 2.531) 7.152 10.139 ( 4.876 3.636 -0.790) 6.134 10.146 ( -7.399 -3.487 0.897) 8.228 10.255 ( 5.148 -3.026 2.201) 6.364 10.931 ( 1.593 4.879 3.426) 6.171 10.947 ( -1.233 6.383 -2.657) 7.023 11.081 ( -1.785 1.414 -0.703) 2.383 11.110 ( 3.141 2.129 2.018) 4.298 11.114 ( 3.351 2.115 7.858) 8.801 11.179 ( -2.970 3.107 -9.891) 10.784 11.401 ( -1.743 -4.055 -2.111) 4.892 11.427 ( 2.940 -5.945 0.898) 6.693 18.855 ( -0.176 2.996 2.983) 4.232 18.898 ( 1.008 1.936 -0.826) 2.334 19.070 ( -1.058 0.046 0.368) 1.121 19.143 ( 3.262 -2.123 -2.761) 4.772 19.336 ( 0.864 -0.527 1.726) 2.000 19.350 ( -0.350 -0.900 -2.199) 2.401 19.607 ( -1.141 -0.208 -0.088) 1.163 19.640 ( 2.188 -1.513 -0.659) 2.741 20.183 ( -5.439 3.346 -0.041) 6.387 20.287 ( 4.807 6.449 0.076) 8.044 20.360 ( -4.821 -5.347 4.246) 8.359 20.502 ( 3.846 -4.709 -3.734) 7.136 20.796 ( 0.441 1.283 2.268) 2.643 20.810 ( -0.389 1.050 -1.291) 1.709 20.906 ( -1.360 -1.533 -0.085) 2.051 20.924 ( 0.020 -1.861 -0.319) 1.889 ======================= Grid point 109 (60/65) ======================= q-point: (-0.20 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -8.003 13.395 4.790) 16.322 1.552 ( -6.571 5.501 11.455) 14.306 1.724 ( -5.064 -0.792 3.255) 6.072 1.762 ( -10.680 -1.888 -1.456) 10.943 1.850 ( 0.658 7.241 -1.440) 7.412 1.997 ( -0.843 10.072 -6.738) 12.147 2.117 ( -2.365 16.771 1.361) 16.992 2.152 ( 1.893 -2.246 -0.934) 3.083 2.228 ( -1.092 1.383 -3.103) 3.568 2.324 ( 1.220 -3.569 -14.169) 14.663 2.333 ( -2.792 6.121 -2.967) 7.353 2.477 ( 0.482 5.411 1.940) 5.768 2.514 ( 2.950 7.977 -1.433) 8.625 2.587 ( 4.435 8.957 3.044) 10.448 2.636 ( 4.714 0.416 4.311) 6.402 2.717 ( 1.827 -2.929 -0.431) 3.479 2.776 ( 3.051 1.836 -6.901) 7.766 2.827 ( -2.867 -1.671 0.141) 3.321 2.898 ( 1.847 -3.124 -3.652) 5.148 2.992 ( -2.118 -4.340 -1.977) 5.218 3.043 ( -1.042 -4.460 0.116) 4.582 3.091 ( 1.641 -1.655 2.308) 3.280 3.185 ( 2.499 -2.594 4.962) 6.132 3.226 ( 3.303 -1.051 5.163) 6.219 3.256 ( -1.461 2.833 1.360) 3.465 3.362 ( -2.592 2.479 0.909) 3.700 3.372 ( 0.903 -2.055 -0.865) 2.405 3.507 ( 0.973 -9.169 0.817) 9.256 3.524 ( -0.336 -2.993 -1.961) 3.594 3.634 ( -1.992 0.097 -0.651) 2.098 3.642 ( -1.690 3.707 -0.173) 4.078 3.749 ( 2.070 -4.903 -4.164) 6.757 3.770 ( 5.434 -2.030 2.625) 6.367 3.853 ( -0.018 -3.267 1.954) 3.807 3.883 ( 0.169 2.361 3.368) 4.117 3.978 ( 0.708 1.221 1.395) 1.984 3.997 ( 5.312 -0.255 1.379) 5.494 4.044 ( 1.737 0.607 3.727) 4.157 4.075 ( 0.697 -3.917 3.815) 5.512 4.186 ( 3.734 2.025 -1.544) 4.520 4.225 ( -1.822 -0.367 -1.356) 2.301 4.364 ( 1.296 -0.052 -3.069) 3.332 4.374 ( 7.033 4.345 -4.864) 9.592 4.434 ( -6.781 1.583 1.711) 7.171 4.519 ( -1.009 -1.378 -2.401) 2.946 4.554 ( 3.046 -2.827 -3.167) 5.225 4.653 ( 4.802 4.046 1.505) 6.458 4.707 ( 0.587 -0.931 -0.113) 1.106 4.753 ( 2.091 -0.846 -3.963) 4.560 4.922 ( -4.672 0.449 -0.485) 4.719 4.984 ( -2.954 2.212 -0.626) 3.743 5.045 ( 1.139 2.750 0.613) 3.039 5.119 ( -3.997 -1.886 0.945) 4.519 5.148 ( 2.993 1.440 -0.134) 3.325 5.190 ( -2.494 4.665 -0.481) 5.311 5.218 ( -0.039 5.187 3.867) 6.470 5.388 ( -0.790 1.494 -1.010) 1.969 5.465 ( 0.361 -1.837 -0.247) 1.888 5.513 ( 0.164 -3.226 2.528) 4.101 5.566 ( -0.258 -2.077 3.686) 4.239 5.627 ( -1.071 -2.083 0.068) 2.343 5.699 ( -0.343 -4.385 0.955) 4.501 5.720 ( -2.328 -0.794 0.825) 2.595 5.756 ( -1.986 -8.426 2.363) 8.974 5.847 ( -1.625 -1.845 -1.048) 2.673 5.974 ( -3.616 -1.283 -1.870) 4.268 6.069 ( 2.586 -11.169 -0.984) 11.506 6.102 ( 2.258 -4.892 -2.168) 5.808 6.529 ( -1.991 2.369 2.057) 3.716 6.562 ( -0.729 2.585 -0.803) 2.803 6.628 ( 1.008 -1.124 0.952) 1.785 6.693 ( 0.710 -2.715 -1.685) 3.273 8.285 ( -0.479 -0.020 0.053) 0.483 8.307 ( -1.303 -1.345 -0.213) 1.884 8.435 ( 0.003 0.609 1.204) 1.349 8.520 ( 0.370 -4.485 -2.967) 5.391 9.217 ( -1.872 0.102 -0.077) 1.876 9.259 ( -2.515 -1.335 -1.610) 3.271 9.356 ( 0.537 -0.633 3.553) 3.649 9.482 ( 3.317 -5.208 -4.831) 7.840 9.911 ( -3.564 1.520 -0.221) 3.881 9.985 ( -7.155 -2.268 -0.684) 7.537 10.291 ( 6.136 4.301 7.288) 10.453 10.424 ( 6.038 -3.075 8.521) 10.887 10.863 ( -2.365 4.165 -5.405) 7.222 10.923 ( -4.696 1.113 -11.990) 12.925 10.969 ( -1.156 5.227 -0.220) 5.358 11.092 ( -2.083 1.738 -3.860) 4.718 11.168 ( 2.242 7.635 4.339) 9.064 11.256 ( 2.404 0.058 2.260) 3.301 11.426 ( 3.900 -3.281 3.837) 6.380 11.500 ( 2.645 -6.837 2.067) 7.616 18.888 ( 0.433 3.303 3.836) 5.080 18.930 ( 2.103 2.349 0.140) 3.156 19.074 ( 0.721 1.377 1.432) 2.113 19.202 ( 4.463 -4.176 -3.156) 6.879 19.346 ( 1.367 0.649 -0.009) 1.513 19.391 ( 2.556 -1.750 3.911) 4.989 19.581 ( -1.112 2.045 -0.921) 2.503 19.693 ( 3.041 -2.087 0.650) 3.745 19.958 ( -9.713 2.628 -9.517) 13.850 20.162 ( -10.714 -6.073 -7.988) 14.679 20.440 ( 5.119 3.788 4.095) 7.571 20.560 ( 1.585 -2.254 -0.350) 2.778 20.796 ( 0.304 0.744 -0.656) 1.038 20.811 ( -1.002 -0.168 0.430) 1.103 20.906 ( 2.970 1.074 2.684) 4.145 20.970 ( 0.277 -2.069 4.518) 4.977 ======================= Grid point 110 (61/65) ======================= q-point: ( 0.00 -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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -2.454 -4.670 -1.616) 5.517 1.407 ( -2.454 4.670 -1.616) 5.517 1.648 ( -4.333 -0.619 12.241) 13.000 1.648 ( -4.333 0.619 12.241) 13.000 2.053 ( -8.675 -8.515 -3.689) 12.703 2.053 ( -8.675 8.515 -3.689) 12.703 2.090 ( 5.324 -6.192 -1.487) 8.301 2.090 ( 5.324 6.192 -1.487) 8.301 2.252 ( -1.360 -0.446 4.464) 4.688 2.252 ( -1.360 0.446 4.464) 4.688 2.500 ( -3.762 -8.232 -3.867) 9.842 2.500 ( -3.762 8.232 -3.867) 9.842 2.570 ( 2.223 -8.211 -0.534) 8.524 2.570 ( 2.223 8.211 -0.534) 8.524 2.677 ( 3.232 -2.381 -8.354) 9.268 2.677 ( 3.232 2.381 -8.354) 9.268 2.832 ( 2.617 -3.043 -1.247) 4.203 2.832 ( 2.617 3.043 -1.247) 4.203 2.924 ( 3.379 -4.080 -2.211) 5.740 2.924 ( 3.379 4.080 -2.211) 5.740 3.098 ( 0.733 -2.798 2.506) 3.827 3.098 ( 0.733 2.798 2.506) 3.827 3.284 ( 3.078 -4.577 3.109) 6.332 3.284 ( 3.078 4.577 3.109) 6.332 3.335 ( -1.264 -0.788 -1.079) 1.840 3.335 ( -1.264 0.788 -1.079) 1.840 3.411 ( -1.982 -3.769 -3.168) 5.307 3.411 ( -1.982 3.769 -3.168) 5.307 3.506 ( 4.341 -3.189 -0.055) 5.387 3.506 ( 4.341 3.189 -0.055) 5.387 3.611 ( -1.846 -0.330 -0.572) 1.960 3.611 ( -1.846 0.330 -0.572) 1.960 3.884 ( 2.812 -2.148 4.918) 6.059 3.884 ( 2.812 2.148 4.918) 6.059 3.995 ( -3.005 -3.509 -2.222) 5.126 3.995 ( -3.005 3.509 -2.222) 5.126 4.053 ( -1.635 -2.736 6.108) 6.889 4.053 ( -1.635 2.736 6.108) 6.889 4.151 ( 2.110 -7.084 0.251) 7.396 4.151 ( 2.110 7.084 0.251) 7.396 4.295 ( -2.411 -1.463 -0.993) 2.990 4.295 ( -2.411 1.463 -0.993) 2.990 4.424 ( 3.202 -4.630 -2.979) 6.369 4.424 ( 3.202 4.630 -2.979) 6.369 4.484 ( -2.042 -1.344 -0.626) 2.523 4.484 ( -2.042 1.344 -0.626) 2.523 4.760 ( 0.190 -2.371 1.944) 3.072 4.760 ( 0.190 2.371 1.944) 3.072 4.848 ( -1.293 -4.337 -2.136) 5.004 4.848 ( -1.293 4.337 -2.136) 5.004 4.995 ( 1.129 -2.964 1.845) 3.669 4.995 ( 1.129 2.964 1.845) 3.669 5.144 ( 1.728 -4.783 1.776) 5.387 5.144 ( 1.728 4.783 1.776) 5.387 5.229 ( -2.694 -1.429 -2.431) 3.900 5.229 ( -2.694 1.429 -2.431) 3.900 5.436 ( -0.819 -1.273 1.573) 2.184 5.436 ( -0.819 1.273 1.573) 2.184 5.509 ( 0.105 -1.737 -0.387) 1.782 5.509 ( 0.105 1.737 -0.387) 1.782 5.606 ( 0.127 -2.485 1.926) 3.147 5.606 ( 0.127 2.485 1.926) 3.147 5.662 ( 0.711 -2.592 -2.689) 3.802 5.662 ( 0.711 2.592 -2.689) 3.802 5.902 ( -0.057 -5.271 3.334) 6.237 5.902 ( -0.057 5.271 3.334) 6.237 5.973 ( -1.063 -6.005 -2.685) 6.663 5.973 ( -1.063 6.005 -2.685) 6.663 6.573 ( -0.282 -2.108 0.701) 2.240 6.573 ( -0.282 2.108 0.701) 2.240 6.642 ( 0.042 -2.284 -0.375) 2.315 6.642 ( 0.042 2.284 -0.375) 2.315 8.287 ( 0.340 -0.590 -0.369) 0.775 8.287 ( 0.340 0.590 -0.369) 0.775 8.447 ( -0.173 -1.350 -0.693) 1.528 8.447 ( -0.173 1.350 -0.693) 1.528 9.210 ( -0.142 -0.948 -0.388) 1.034 9.210 ( -0.142 0.948 -0.388) 1.034 9.415 ( 0.986 -3.039 -0.885) 3.316 9.415 ( 0.986 3.039 -0.885) 3.316 9.885 ( -1.235 -0.109 1.161) 1.699 9.885 ( -1.235 0.109 1.161) 1.699 10.531 ( 3.668 -3.229 10.634) 11.703 10.531 ( 3.668 3.229 10.634) 11.703 10.769 ( -4.402 -1.456 -10.497) 11.475 10.769 ( -4.402 1.456 -10.497) 11.475 11.003 ( -1.144 -1.328 -1.102) 2.071 11.003 ( -1.144 1.328 -1.102) 2.071 11.363 ( 1.557 -2.436 1.786) 3.398 11.363 ( 1.557 2.436 1.786) 3.398 11.430 ( 0.922 -0.437 0.608) 1.187 11.430 ( 0.922 0.437 0.608) 1.187 18.968 ( -0.919 -1.966 3.758) 4.340 18.968 ( -0.919 1.966 3.758) 4.340 19.152 ( 1.914 -3.866 -3.632) 5.639 19.152 ( 1.914 3.866 -3.632) 5.639 19.438 ( 2.138 -1.080 3.118) 3.932 19.438 ( 2.138 1.080 3.118) 3.932 19.668 ( 1.974 -5.665 1.385) 6.157 19.668 ( 1.974 5.665 1.385) 6.157 19.794 ( -6.761 -5.304 -7.341) 11.302 19.794 ( -6.761 5.304 -7.341) 11.302 20.553 ( 0.670 -0.759 0.132) 1.020 20.553 ( 0.670 0.759 0.132) 1.020 20.804 ( -0.259 -0.231 0.275) 0.443 20.804 ( -0.259 0.231 0.275) 0.443 20.988 ( 1.250 -0.547 1.949) 2.380 20.988 ( 1.250 0.547 1.949) 2.380 ======================= Grid point 112 (62/65) ======================= q-point: ( 0.20 -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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 9.381 -2.308 4.865) 10.817 1.491 ( 9.381 2.308 4.865) 10.817 1.715 ( 1.181 -5.669 12.320) 13.613 1.715 ( 1.181 5.669 12.320) 13.613 1.872 ( -8.990 -9.323 4.524) 13.719 1.872 ( -8.990 9.323 4.524) 13.719 2.177 ( 3.604 -3.832 -4.277) 6.780 2.177 ( 3.604 3.832 -4.277) 6.780 2.301 ( 1.582 -4.440 7.572) 8.919 2.301 ( 1.582 4.440 7.572) 8.919 2.390 ( -3.226 -5.601 -1.192) 6.573 2.390 ( -3.226 5.601 -1.192) 6.573 2.588 ( -0.774 -4.172 -1.226) 4.417 2.588 ( -0.774 4.172 -1.226) 4.417 2.676 ( 1.836 -3.553 -6.521) 7.650 2.676 ( 1.836 3.553 -6.521) 7.650 2.840 ( 0.147 -4.329 -5.300) 6.845 2.840 ( 0.147 4.329 -5.300) 6.845 2.949 ( 2.651 -4.435 -5.515) 7.557 2.949 ( 2.651 4.435 -5.515) 7.557 3.124 ( 1.197 -5.690 -0.595) 5.845 3.124 ( 1.197 5.690 -0.595) 5.845 3.240 ( -3.326 -3.588 -1.293) 5.061 3.240 ( -3.326 3.588 -1.293) 5.061 3.335 ( -2.754 -3.093 1.844) 4.534 3.335 ( -2.754 3.093 1.844) 4.534 3.411 ( 1.296 -2.495 -0.901) 2.953 3.411 ( 1.296 2.495 -0.901) 2.953 3.472 ( 0.896 -1.062 -3.435) 3.706 3.472 ( 0.896 1.062 -3.435) 3.706 3.695 ( 5.726 -0.797 -0.045) 5.782 3.695 ( 5.726 0.797 -0.045) 5.782 3.868 ( -4.062 -1.709 -4.357) 6.197 3.868 ( -4.062 1.709 -4.357) 6.197 3.947 ( -5.653 -3.613 2.720) 7.240 3.947 ( -5.653 3.613 2.720) 7.240 4.051 ( -2.260 -3.832 5.504) 7.077 4.051 ( -2.260 3.832 5.504) 7.077 4.133 ( 0.227 -3.518 -1.868) 3.990 4.133 ( 0.227 3.518 -1.868) 3.990 4.332 ( 1.668 -1.945 4.607) 5.272 4.332 ( 1.668 1.945 4.607) 5.272 4.355 ( -2.716 -2.947 -6.476) 7.616 4.355 ( -2.716 2.947 -6.476) 7.616 4.528 ( 3.667 -1.982 1.149) 4.324 4.528 ( 3.667 1.982 1.149) 4.324 4.676 ( -6.734 -1.484 1.642) 7.088 4.676 ( -6.734 1.484 1.642) 7.088 4.866 ( 3.715 -6.578 -1.077) 7.631 4.866 ( 3.715 6.578 -1.077) 7.631 5.033 ( 0.735 -5.499 -0.509) 5.571 5.033 ( 0.735 5.499 -0.509) 5.571 5.138 ( -0.918 -2.703 -0.545) 2.906 5.138 ( -0.918 2.703 -0.545) 2.906 5.257 ( 1.733 -7.288 3.196) 8.144 5.257 ( 1.733 7.288 3.196) 8.144 5.408 ( -1.214 -4.084 -0.303) 4.271 5.408 ( -1.214 4.084 -0.303) 4.271 5.506 ( -1.050 -2.895 0.021) 3.080 5.506 ( -1.050 2.895 0.021) 3.080 5.609 ( -0.085 -3.078 1.718) 3.526 5.609 ( -0.085 3.078 1.718) 3.526 5.713 ( 4.923 -2.034 -0.265) 5.333 5.713 ( 4.923 2.034 -0.265) 5.333 5.890 ( -3.828 -6.186 1.236) 7.379 5.890 ( -3.828 6.186 1.236) 7.379 5.964 ( 1.865 -2.887 -0.275) 3.448 5.964 ( 1.865 2.887 -0.275) 3.448 6.575 ( 0.074 -1.951 0.634) 2.052 6.575 ( 0.074 1.951 0.634) 2.052 6.637 ( -0.330 -1.465 -0.216) 1.517 6.637 ( -0.330 1.465 -0.216) 1.517 8.296 ( 1.021 -1.345 -0.563) 1.780 8.296 ( 1.021 1.345 -0.563) 1.780 8.447 ( 0.114 -1.154 0.101) 1.164 8.447 ( 0.114 1.154 0.101) 1.164 9.223 ( 1.411 -1.779 0.232) 2.282 9.223 ( 1.411 1.779 0.232) 2.282 9.412 ( -0.077 -1.708 -2.129) 2.730 9.412 ( -0.077 1.708 -2.129) 2.730 9.914 ( 2.613 -1.886 2.566) 4.119 9.914 ( 2.613 1.886 2.566) 4.119 10.543 ( -7.417 -2.542 -6.643) 10.277 10.543 ( -7.417 2.542 -6.643) 10.277 10.713 ( 3.391 -2.801 8.133) 9.246 10.713 ( 3.391 2.801 8.133) 9.246 11.007 ( 1.153 -1.619 1.727) 2.633 11.007 ( 1.153 1.619 1.727) 2.633 11.359 ( -1.672 -6.595 -2.281) 7.176 11.359 ( -1.672 6.595 -2.281) 7.176 11.429 ( -0.652 -4.416 -1.746) 4.794 11.429 ( -0.652 4.416 -1.746) 4.794 18.953 ( -2.990 -2.344 2.554) 4.578 18.953 ( -2.990 2.344 2.554) 4.578 19.141 ( 0.265 -2.666 -4.454) 5.198 19.141 ( 0.265 2.666 -4.454) 5.198 19.414 ( -3.427 -3.697 -2.233) 5.513 19.414 ( -3.427 3.697 -2.233) 5.513 19.646 ( -1.885 -5.019 -1.573) 5.587 19.646 ( -1.885 5.019 -1.573) 5.587 19.855 ( 8.812 -5.579 8.300) 13.329 19.855 ( 8.812 5.579 8.300) 13.329 20.543 ( -1.156 -1.374 -1.414) 2.285 20.543 ( -1.156 1.374 -1.414) 2.285 20.800 ( -0.369 -0.789 0.536) 1.023 20.800 ( -0.369 0.789 0.536) 1.023 20.995 ( -0.608 -2.899 -1.811) 3.472 20.995 ( -0.608 2.899 -1.811) 3.472 ======================= Grid point 114 (63/65) ======================= q-point: ( 0.40 -0.50 -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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 0.975 -4.812 8.089) 9.462 1.706 ( 0.975 4.812 8.089) 9.462 1.816 ( -0.532 -9.471 13.244) 16.291 1.816 ( -0.532 9.471 13.244) 16.291 1.880 ( 7.308 -7.332 6.234) 12.084 1.880 ( 7.308 7.332 6.234) 12.084 2.137 ( -1.632 -2.958 -5.648) 6.581 2.137 ( -1.632 2.958 -5.648) 6.581 2.331 ( -0.269 -2.347 2.545) 3.473 2.331 ( -0.269 2.347 2.545) 3.473 2.425 ( 1.273 -5.936 -0.473) 6.090 2.425 ( 1.273 5.936 -0.473) 6.090 2.554 ( -0.058 -5.725 -1.445) 5.905 2.554 ( -0.058 5.725 -1.445) 5.905 2.669 ( 1.760 -6.335 -0.904) 6.637 2.669 ( 1.760 6.335 -0.904) 6.637 2.787 ( -0.791 -5.656 -2.945) 6.426 2.787 ( -0.791 5.656 -2.945) 6.426 2.929 ( 0.682 -1.784 -5.051) 5.400 2.929 ( 0.682 1.784 -5.051) 5.400 3.103 ( -3.175 -5.287 -1.505) 6.348 3.103 ( -3.175 5.287 -1.505) 6.348 3.175 ( -2.221 -5.896 -7.436) 9.746 3.175 ( -2.221 5.896 -7.436) 9.746 3.289 ( -1.907 -5.695 0.448) 6.022 3.289 ( -1.907 5.695 0.448) 6.022 3.442 ( 3.981 -3.985 2.383) 6.117 3.442 ( 3.981 3.985 2.383) 6.117 3.547 ( 6.107 -1.434 -0.084) 6.274 3.547 ( 6.107 1.434 -0.084) 6.274 3.688 ( -6.927 -1.351 -5.449) 8.916 3.688 ( -6.927 1.351 -5.449) 8.916 3.788 ( 1.240 -2.846 -1.685) 3.532 3.788 ( 1.240 2.846 -1.685) 3.532 3.865 ( -1.887 -3.050 0.886) 3.695 3.865 ( -1.887 3.050 0.886) 3.695 4.008 ( -6.093 -0.108 -1.833) 6.364 4.008 ( -6.093 0.108 -1.833) 6.364 4.095 ( -2.050 -0.447 -0.584) 2.178 4.095 ( -2.050 0.447 -0.584) 2.178 4.260 ( -0.639 -1.497 0.313) 1.658 4.260 ( -0.639 1.497 0.313) 1.658 4.441 ( 4.040 -8.135 0.827) 9.120 4.441 ( 4.040 8.135 0.827) 9.120 4.583 ( -0.819 -3.498 2.608) 4.439 4.583 ( -0.819 3.498 2.608) 4.439 4.621 ( 1.053 -1.725 -1.077) 2.290 4.621 ( 1.053 1.725 -1.077) 2.290 4.935 ( 4.058 -11.291 1.359) 12.075 4.935 ( 4.058 11.291 1.359) 12.075 5.052 ( -0.493 -3.815 1.331) 4.071 5.052 ( -0.493 3.815 1.331) 4.071 5.114 ( -0.640 -1.928 -0.407) 2.072 5.114 ( -0.640 1.928 -0.407) 2.072 5.242 ( -2.474 -3.704 -0.814) 4.528 5.242 ( -2.474 3.704 -0.814) 4.528 5.425 ( 1.458 -9.223 1.346) 9.434 5.425 ( 1.458 9.223 1.346) 9.434 5.476 ( -1.600 -5.591 0.243) 5.821 5.476 ( -1.600 5.591 0.243) 5.821 5.640 ( 1.347 -1.388 2.567) 3.214 5.640 ( 1.347 1.388 2.567) 3.214 5.781 ( -4.069 -1.501 5.122) 6.712 5.781 ( -4.069 1.501 5.122) 6.712 5.832 ( 2.455 -4.838 -3.231) 6.315 5.832 ( 2.455 4.838 -3.231) 6.315 6.000 ( 1.813 -1.086 -0.917) 2.304 6.000 ( 1.813 1.086 -0.917) 2.304 6.583 ( 0.157 -2.150 0.386) 2.190 6.583 ( 0.157 2.150 0.386) 2.190 6.629 ( -0.214 -0.988 -0.115) 1.017 6.629 ( -0.214 0.988 -0.115) 1.017 8.314 ( 0.911 -1.444 -0.402) 1.754 8.314 ( 0.911 1.444 -0.402) 1.754 8.447 ( -0.028 -0.920 0.271) 0.959 8.447 ( -0.028 0.920 0.271) 0.959 9.257 ( 1.302 -1.451 0.893) 2.145 9.257 ( 1.302 1.451 0.893) 2.145 9.385 ( -0.474 -0.433 -2.934) 3.004 9.385 ( -0.474 0.433 -2.934) 3.004 10.014 ( 4.585 -2.957 5.004) 7.404 10.014 ( 4.585 2.957 5.004) 7.404 10.323 ( -8.602 -3.413 -7.644) 12.003 10.323 ( -8.602 3.413 -7.644) 12.003 10.870 ( 5.131 -2.206 9.919) 11.383 10.870 ( 5.131 2.206 9.919) 11.383 11.055 ( 1.431 -3.584 2.489) 4.593 11.055 ( 1.431 3.584 2.489) 4.593 11.280 ( -3.104 -6.569 -4.883) 8.754 11.280 ( -3.104 6.569 -4.883) 8.754 11.384 ( -1.511 -3.711 -3.528) 5.339 11.384 ( -1.511 3.711 -3.528) 5.339 18.910 ( -2.482 -1.949 1.653) 3.562 18.910 ( -2.482 1.949 1.653) 3.562 19.108 ( 0.116 -1.777 -4.091) 4.462 19.108 ( 0.116 1.777 -4.091) 4.462 19.351 ( -1.376 -2.211 -1.384) 2.949 19.351 ( -1.376 2.211 -1.384) 2.949 19.616 ( -0.626 -2.055 -0.546) 2.217 19.616 ( -0.626 2.055 -0.546) 2.217 20.109 ( 8.540 -5.682 11.743) 15.592 20.109 ( 8.540 5.682 11.743) 15.592 20.481 ( -3.099 -3.590 -4.815) 6.759 20.481 ( -3.099 3.590 -4.815) 6.759 20.804 ( 0.248 -1.357 1.127) 1.781 20.804 ( 0.248 1.357 1.127) 1.781 20.944 ( -2.051 -3.201 -3.690) 5.298 20.944 ( -2.051 3.201 -3.690) 5.298 ======================= Grid point 116 (64/65) ======================= q-point: (-0.40 -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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( -5.997 -4.125 9.248) 11.769 1.711 ( -5.997 4.125 9.248) 11.769 1.796 ( -10.158 -12.851 9.678) 19.026 1.796 ( -10.158 12.851 9.678) 19.026 2.000 ( 1.594 -4.036 -5.056) 6.663 2.000 ( 1.594 4.036 -5.056) 6.663 2.204 ( 12.178 -11.580 -1.516) 16.873 2.204 ( 12.178 11.580 -1.516) 16.873 2.309 ( -5.584 -3.408 -1.542) 6.721 2.309 ( -5.584 3.408 -1.542) 6.721 2.415 ( 2.958 -5.057 -3.837) 7.003 2.415 ( 2.958 5.057 -3.837) 7.003 2.564 ( -0.510 -3.397 -0.005) 3.435 2.564 ( -0.510 3.397 -0.005) 3.435 2.676 ( 3.892 -3.002 -1.034) 5.023 2.676 ( 3.892 3.002 -1.034) 5.023 2.837 ( 0.974 -3.289 2.043) 3.992 2.837 ( 0.974 3.289 2.043) 3.992 2.939 ( -1.280 -2.303 1.222) 2.905 2.939 ( -1.280 2.303 1.222) 2.905 2.995 ( -1.860 -1.453 -6.202) 6.636 2.995 ( -1.860 1.453 -6.202) 6.636 3.092 ( 1.615 -3.238 -2.092) 4.179 3.092 ( 1.615 3.238 -2.092) 4.179 3.284 ( 0.735 -1.810 0.881) 2.143 3.284 ( 0.735 1.810 0.881) 2.143 3.476 ( -5.493 -1.702 -1.151) 5.865 3.476 ( -5.493 1.702 -1.151) 5.865 3.563 ( 1.176 -4.222 -0.051) 4.383 3.563 ( 1.176 4.222 -0.051) 4.383 3.672 ( 0.362 -4.226 -1.383) 4.462 3.672 ( 0.362 4.226 -1.383) 4.462 3.763 ( 2.938 -2.217 -0.769) 3.760 3.763 ( 2.938 2.217 -0.769) 3.760 3.860 ( 1.642 -0.554 0.235) 1.749 3.860 ( 1.642 0.554 0.235) 1.749 3.946 ( 0.529 -2.090 2.257) 3.121 3.946 ( 0.529 2.090 2.257) 3.121 4.083 ( 0.521 -2.333 0.654) 2.479 4.083 ( 0.521 2.333 0.654) 2.479 4.297 ( 4.348 -1.228 -1.692) 4.824 4.297 ( 4.348 1.228 -1.692) 4.824 4.477 ( 0.260 -1.602 -2.553) 3.025 4.477 ( 0.260 1.602 -2.553) 3.025 4.553 ( -3.851 -1.253 3.282) 5.213 4.553 ( -3.851 1.253 3.282) 5.213 4.647 ( 2.215 -1.838 -1.899) 3.448 4.647 ( 2.215 1.838 -1.899) 3.448 4.939 ( -7.404 -8.760 1.962) 11.637 4.939 ( -7.404 8.760 1.962) 11.637 5.045 ( 2.746 -4.583 2.528) 5.910 5.045 ( 2.746 4.583 2.528) 5.910 5.132 ( -0.371 -2.331 -3.374) 4.118 5.132 ( -0.371 2.331 -3.374) 4.118 5.247 ( 5.238 -5.005 -0.870) 7.297 5.247 ( 5.238 5.005 -0.870) 7.297 5.427 ( -2.117 -8.887 1.346) 9.234 5.427 ( -2.117 8.887 1.346) 9.234 5.476 ( 0.891 -4.954 0.616) 5.071 5.476 ( 0.891 4.954 0.616) 5.071 5.664 ( -1.982 -3.140 0.884) 3.817 5.664 ( -1.982 3.140 0.884) 3.817 5.711 ( -4.499 -0.285 6.346) 7.784 5.711 ( -4.499 0.285 6.346) 7.784 5.871 ( 2.182 -3.193 -2.595) 4.657 5.871 ( 2.182 3.193 -2.595) 4.657 6.015 ( 0.991 -0.589 -1.991) 2.301 6.015 ( 0.991 0.589 -1.991) 2.301 6.581 ( -0.606 -1.442 0.475) 1.634 6.581 ( -0.606 1.442 0.475) 1.634 6.632 ( 0.584 -2.167 -0.284) 2.262 6.632 ( 0.584 2.167 -0.284) 2.262 8.310 ( -1.075 -0.815 -0.028) 1.349 8.310 ( -1.075 0.815 -0.028) 1.349 8.456 ( 0.872 -2.064 -0.502) 2.296 8.456 ( 0.872 2.064 -0.502) 2.296 9.266 ( -1.145 -0.980 0.344) 1.546 9.266 ( -1.145 0.980 0.344) 1.546 9.370 ( 1.216 -2.889 -1.900) 3.666 9.370 ( 1.216 2.889 -1.900) 3.666 10.079 ( -7.000 -3.578 1.789) 8.063 10.079 ( -7.000 3.578 1.789) 8.063 10.200 ( 5.068 -2.906 1.010) 5.929 10.200 ( 5.068 2.906 1.010) 5.929 11.017 ( 1.581 -2.934 1.468) 3.642 11.017 ( 1.581 2.934 1.468) 3.642 11.060 ( -0.044 -2.410 -0.646) 2.495 11.060 ( -0.044 2.410 -0.646) 2.495 11.215 ( -0.078 -2.072 -0.613) 2.163 11.215 ( -0.078 2.072 -0.613) 2.163 11.349 ( 0.576 -0.410 -1.032) 1.251 11.349 ( 0.576 0.410 -1.032) 1.251 18.901 ( 0.029 -1.516 2.305) 2.759 18.901 ( 0.029 1.516 2.305) 2.759 19.097 ( 1.637 -2.462 -2.864) 4.116 19.097 ( 1.637 2.462 -2.864) 4.116 19.336 ( 0.191 -0.496 0.023) 0.532 19.336 ( 0.191 0.496 0.023) 0.532 19.613 ( 0.679 -0.977 -0.259) 1.217 19.613 ( 0.679 0.977 -0.259) 1.217 20.262 ( -5.185 -4.765 3.009) 7.658 20.262 ( -5.185 4.765 3.009) 7.658 20.404 ( 4.178 -5.679 -2.774) 7.576 20.404 ( 4.178 5.679 -2.774) 7.576 20.817 ( -0.254 -0.621 0.647) 0.932 20.817 ( -0.254 0.621 0.647) 0.932 20.896 ( -0.252 -0.726 -0.289) 0.821 20.896 ( -0.252 0.726 -0.289) 0.821 ======================= Grid point 118 (65/65) ======================= q-point: (-0.20 -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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -11.090 -7.748 -0.657) 13.544 1.567 ( -11.090 7.748 -0.657) 13.544 1.685 ( -7.583 -0.883 9.737) 12.373 1.685 ( -7.583 0.883 9.737) 12.373 2.029 ( 3.321 -9.728 -2.617) 10.607 2.029 ( 3.321 9.728 -2.617) 10.607 2.188 ( -2.510 -7.122 -4.209) 8.645 2.188 ( -2.510 7.122 -4.209) 8.645 2.289 ( -2.971 -3.603 -3.081) 5.595 2.289 ( -2.971 3.603 -3.081) 5.595 2.477 ( 5.778 -9.732 2.356) 11.560 2.477 ( 5.778 9.732 2.356) 11.560 2.606 ( 1.300 -5.860 -3.393) 6.895 2.606 ( 1.300 5.860 -3.393) 6.895 2.687 ( -1.319 -6.992 -6.972) 9.962 2.687 ( -1.319 6.992 -6.972) 9.962 2.803 ( 2.737 -6.638 -3.615) 8.038 2.803 ( 2.737 6.638 -3.615) 8.038 2.879 ( -0.262 -5.852 -0.249) 5.863 2.879 ( -0.262 5.852 -0.249) 5.863 3.052 ( 1.250 -3.772 5.874) 7.092 3.052 ( 1.250 3.772 5.874) 7.092 3.167 ( 4.038 -4.251 3.779) 6.975 3.167 ( 4.038 4.251 3.779) 6.975 3.357 ( 6.104 -5.704 2.519) 8.726 3.357 ( 6.104 5.704 2.519) 8.726 3.386 ( -2.516 -1.700 -0.994) 3.195 3.386 ( -2.516 1.700 -0.994) 3.195 3.499 ( -3.486 -4.065 -4.402) 6.933 3.499 ( -3.486 4.065 -4.402) 6.933 3.685 ( -1.713 -0.699 0.540) 1.927 3.685 ( -1.713 0.699 0.540) 1.927 3.808 ( 2.694 -1.520 0.209) 3.100 3.808 ( 2.694 1.520 0.209) 3.100 3.945 ( 3.605 -3.610 3.304) 6.079 3.945 ( 3.605 3.610 3.304) 6.079 4.027 ( 3.953 -1.565 5.524) 6.970 4.027 ( 3.953 1.565 5.524) 6.970 4.106 ( 0.568 -4.766 0.840) 4.873 4.106 ( 0.568 4.766 0.840) 4.873 4.346 ( 0.792 -4.670 -4.907) 6.820 4.346 ( 0.792 4.670 -4.907) 6.820 4.431 ( -1.063 -2.201 -3.243) 4.061 4.431 ( -1.063 2.201 -3.243) 4.061 4.511 ( -1.762 -1.443 1.949) 2.997 4.511 ( -1.762 1.443 1.949) 2.997 4.695 ( 4.311 -1.387 -0.486) 4.554 4.695 ( 4.311 1.387 -0.486) 4.554 4.851 ( -1.795 -8.141 0.582) 8.357 4.851 ( -1.795 8.141 0.582) 8.357 5.052 ( -4.394 -4.634 -1.297) 6.517 5.052 ( -4.394 4.634 -1.297) 6.517 5.102 ( 1.107 -3.628 1.677) 4.148 5.102 ( 1.107 3.628 1.677) 4.148 5.307 ( -1.386 -3.627 -1.126) 4.042 5.307 ( -1.386 3.627 -1.126) 4.042 5.413 ( 1.101 -4.883 0.591) 5.041 5.413 ( 1.101 4.883 0.591) 5.041 5.500 ( 1.459 -3.060 -0.109) 3.391 5.500 ( 1.459 3.060 -0.109) 3.391 5.610 ( -3.887 -3.910 4.136) 6.892 5.610 ( -3.887 3.910 4.136) 6.892 5.689 ( -0.943 -2.325 -1.150) 2.760 5.689 ( -0.943 2.325 -1.150) 2.760 5.883 ( 0.146 -5.348 1.117) 5.465 5.883 ( 0.146 5.348 1.117) 5.465 6.006 ( 0.060 -3.611 -3.026) 4.711 6.006 ( 0.060 3.611 -3.026) 4.711 6.574 ( -0.464 -1.969 0.646) 2.123 6.574 ( -0.464 1.969 0.646) 2.123 6.640 ( 0.480 -2.825 -0.441) 2.899 6.640 ( 0.480 2.825 -0.441) 2.899 8.290 ( -0.619 -0.556 -0.088) 0.837 8.290 ( -0.619 0.556 -0.088) 0.837 8.460 ( -0.060 -2.076 -1.017) 2.312 8.460 ( -0.060 2.076 -1.017) 2.312 9.233 ( -1.651 -1.322 -0.572) 2.191 9.233 ( -1.651 1.323 -0.572) 2.191 9.393 ( 1.682 -3.874 -0.512) 4.254 9.393 ( 1.682 3.874 -0.512) 4.254 9.946 ( -5.459 -1.990 -0.196) 5.814 9.946 ( -5.459 1.990 -0.196) 5.814 10.363 ( 5.989 -3.396 8.496) 10.935 10.363 ( 5.989 3.396 8.496) 10.935 10.920 ( -3.457 -1.654 -9.638) 10.372 10.920 ( -3.457 1.654 -9.638) 10.372 11.054 ( -1.914 -3.907 -2.373) 4.956 11.054 ( -1.914 3.907 -2.373) 4.956 11.283 ( 3.705 -1.988 4.621) 6.248 11.283 ( 3.705 1.988 4.621) 6.248 11.388 ( 2.196 -2.517 1.839) 3.813 11.388 ( 2.196 2.517 1.839) 3.813 18.937 ( 0.864 -1.533 3.624) 4.029 18.937 ( 0.864 1.533 3.624) 4.029 19.125 ( 3.049 -3.781 -2.597) 5.508 19.125 ( 3.049 3.781 -2.597) 5.508 19.362 ( 2.014 -1.176 2.129) 3.158 19.362 ( 2.014 1.176 2.129) 3.158 19.634 ( 1.406 -3.384 -0.062) 3.665 19.634 ( 1.406 3.384 -0.062) 3.665 20.046 ( -10.742 -5.839 -8.965) 15.161 20.046 ( -10.742 5.839 -8.965) 15.161 20.508 ( 3.497 -3.221 1.929) 5.130 20.508 ( 3.497 3.221 1.929) 5.130 20.807 ( -0.337 -0.375 -0.134) 0.522 20.807 ( -0.337 0.375 -0.134) 0.522 20.933 ( 1.736 -1.757 3.654) 4.411 20.933 ( 1.736 1.757 3.654) 4.411 =================== 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 3/21600 10.0 71.030 97.140 92.156 0.000 7.096 0.000 3/21600 20.0 17.384 24.924 23.654 0.000 -0.789 0.000 3/21600 30.0 7.114 10.627 9.798 0.000 -0.618 0.000 3/21600 40.0 4.060 6.092 5.570 0.000 -0.401 0.000 3/21600 50.0 2.771 4.129 3.771 0.000 -0.286 0.000 3/21600 60.0 2.097 3.098 2.830 0.000 -0.221 0.000 3/21600 70.0 1.690 2.480 2.267 0.000 -0.180 0.000 3/21600 80.0 1.420 2.073 1.895 0.000 -0.152 0.000 3/21600 90.0 1.228 1.785 1.633 0.000 -0.132 0.000 3/21600 100.0 1.085 1.572 1.439 0.000 -0.115 0.000 3/21600 110.0 0.974 1.408 1.289 0.000 -0.102 0.000 3/21600 120.0 0.885 1.277 1.170 0.000 -0.091 0.000 3/21600 130.0 0.813 1.171 1.073 0.000 -0.082 0.000 3/21600 140.0 0.753 1.082 0.993 0.000 -0.074 0.000 3/21600 150.0 0.702 1.008 0.925 0.000 -0.067 0.000 3/21600 160.0 0.658 0.943 0.867 0.000 -0.061 0.000 3/21600 170.0 0.620 0.888 0.817 0.000 -0.056 0.000 3/21600 180.0 0.586 0.839 0.773 0.000 -0.051 0.000 3/21600 190.0 0.557 0.796 0.734 0.000 -0.046 0.000 3/21600 200.0 0.530 0.757 0.700 0.000 -0.043 0.000 3/21600 210.0 0.507 0.722 0.669 0.000 -0.039 0.000 3/21600 220.0 0.485 0.691 0.641 0.000 -0.036 0.000 3/21600 230.0 0.466 0.662 0.615 0.000 -0.033 0.000 3/21600 240.0 0.448 0.636 0.592 0.000 -0.030 0.000 3/21600 250.0 0.432 0.612 0.571 0.000 -0.028 0.000 3/21600 260.0 0.417 0.590 0.551 0.000 -0.026 0.000 3/21600 270.0 0.403 0.570 0.532 0.000 -0.024 0.000 3/21600 280.0 0.389 0.551 0.515 0.000 -0.022 0.000 3/21600 290.0 0.377 0.533 0.499 0.000 -0.021 0.000 3/21600 300.0 0.366 0.516 0.485 0.000 -0.019 0.000 3/21600 310.0 0.355 0.501 0.471 0.000 -0.018 0.000 3/21600 320.0 0.345 0.486 0.457 0.000 -0.017 0.000 3/21600 330.0 0.336 0.472 0.445 0.000 -0.016 0.000 3/21600 340.0 0.327 0.459 0.433 0.000 -0.014 0.000 3/21600 350.0 0.318 0.447 0.422 0.000 -0.014 0.000 3/21600 360.0 0.310 0.436 0.412 0.000 -0.013 0.000 3/21600 370.0 0.303 0.425 0.402 0.000 -0.012 0.000 3/21600 380.0 0.295 0.414 0.392 0.000 -0.011 0.000 3/21600 390.0 0.288 0.404 0.383 0.000 -0.010 0.000 3/21600 400.0 0.282 0.395 0.374 0.000 -0.010 0.000 3/21600 410.0 0.276 0.386 0.366 0.000 -0.009 0.000 3/21600 420.0 0.270 0.377 0.358 0.000 -0.009 0.000 3/21600 430.0 0.264 0.369 0.351 0.000 -0.008 0.000 3/21600 440.0 0.258 0.361 0.343 0.000 -0.008 0.000 3/21600 450.0 0.253 0.353 0.337 0.000 -0.007 0.000 3/21600 460.0 0.248 0.346 0.330 0.000 -0.007 0.000 3/21600 470.0 0.243 0.339 0.323 0.000 -0.006 0.000 3/21600 480.0 0.238 0.332 0.317 0.000 -0.006 0.000 3/21600 490.0 0.234 0.326 0.311 0.000 -0.006 0.000 3/21600 500.0 0.229 0.320 0.306 0.000 -0.005 0.000 3/21600 510.0 0.225 0.314 0.300 0.000 -0.005 0.000 3/21600 520.0 0.221 0.308 0.295 0.000 -0.005 0.000 3/21600 530.0 0.217 0.303 0.289 0.000 -0.005 0.000 3/21600 540.0 0.214 0.297 0.285 0.000 -0.004 0.000 3/21600 550.0 0.210 0.292 0.280 0.000 -0.004 0.000 3/21600 560.0 0.206 0.287 0.275 0.000 -0.004 0.000 3/21600 570.0 0.203 0.282 0.271 0.000 -0.004 0.000 3/21600 580.0 0.200 0.278 0.266 0.000 -0.004 0.000 3/21600 590.0 0.197 0.273 0.262 0.000 -0.003 0.000 3/21600 600.0 0.193 0.269 0.258 0.000 -0.003 0.000 3/21600 610.0 0.190 0.265 0.254 0.000 -0.003 0.000 3/21600 620.0 0.188 0.260 0.250 0.000 -0.003 0.000 3/21600 630.0 0.185 0.256 0.246 0.000 -0.003 0.000 3/21600 640.0 0.182 0.253 0.243 0.000 -0.003 0.000 3/21600 650.0 0.179 0.249 0.239 0.000 -0.003 0.000 3/21600 660.0 0.177 0.245 0.236 0.000 -0.002 0.000 3/21600 670.0 0.174 0.242 0.232 0.000 -0.002 0.000 3/21600 680.0 0.172 0.238 0.229 0.000 -0.002 0.000 3/21600 690.0 0.169 0.235 0.226 0.000 -0.002 0.000 3/21600 700.0 0.167 0.232 0.223 0.000 -0.002 0.000 3/21600 710.0 0.165 0.229 0.220 0.000 -0.002 0.000 3/21600 720.0 0.163 0.226 0.217 0.000 -0.002 0.000 3/21600 730.0 0.161 0.223 0.214 0.000 -0.002 0.000 3/21600 740.0 0.158 0.220 0.212 0.000 -0.002 0.000 3/21600 750.0 0.156 0.217 0.209 0.000 -0.002 0.000 3/21600 760.0 0.154 0.214 0.206 0.000 -0.002 0.000 3/21600 770.0 0.153 0.211 0.204 0.000 -0.001 0.000 3/21600 780.0 0.151 0.209 0.201 0.000 -0.001 0.000 3/21600 790.0 0.149 0.206 0.199 0.000 -0.001 0.000 3/21600 800.0 0.147 0.204 0.196 0.000 -0.001 0.000 3/21600 810.0 0.145 0.201 0.194 0.000 -0.001 0.000 3/21600 820.0 0.144 0.199 0.192 0.000 -0.001 0.000 3/21600 830.0 0.142 0.196 0.190 0.000 -0.001 0.000 3/21600 840.0 0.140 0.194 0.187 0.000 -0.001 0.000 3/21600 850.0 0.139 0.192 0.185 0.000 -0.001 0.000 3/21600 860.0 0.137 0.190 0.183 0.000 -0.001 0.000 3/21600 870.0 0.136 0.188 0.181 0.000 -0.001 0.000 3/21600 880.0 0.134 0.186 0.179 0.000 -0.001 0.000 3/21600 890.0 0.133 0.184 0.177 0.000 -0.001 0.000 3/21600 900.0 0.131 0.182 0.175 0.000 -0.001 0.000 3/21600 910.0 0.130 0.180 0.173 0.000 -0.001 0.000 3/21600 920.0 0.128 0.178 0.172 0.000 -0.001 0.000 3/21600 930.0 0.127 0.176 0.170 0.000 -0.001 0.000 3/21600 940.0 0.126 0.174 0.168 0.000 -0.001 0.000 3/21600 950.0 0.125 0.172 0.166 0.000 -0.001 0.000 3/21600 960.0 0.123 0.170 0.165 0.000 -0.001 0.000 3/21600 970.0 0.122 0.169 0.163 0.000 -0.001 0.000 3/21600 980.0 0.121 0.167 0.161 0.000 -0.001 0.000 3/21600 990.0 0.120 0.165 0.160 0.000 -0.001 0.000 3/21600 1000.0 0.118 0.164 0.158 0.000 -0.001 0.000 3/21600 Thermal conductivity related properties were written into "kappa-m585.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:06:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|