----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:43:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.365912720000004 0.000000000000000 0.000000000000000 b 0.000000000000000 6.782898680000002 0.000000000000000 c 0.000000000000000 0.000000000000000 6.197230049999999 Atomic positions (fractional): *1 N 0.50000000000000 0.49293072697889 0.75000000000000 14.007 2 N 0.00000000000000 0.00706927302111 0.25000000000000 14.007 3 N 0.50000000000000 0.50706927302111 0.25000000000000 14.007 4 N 0.00000000000000 0.99293072697889 0.75000000000000 14.007 *5 Cl 0.71808495925768 0.36165855717818 0.10705948841316 35.453 6 Cl 0.78191504074232 0.13834144282182 0.60705948841317 35.453 7 Cl 0.28191504074232 0.36165855717818 0.39294051158684 35.453 8 Cl 0.21808495925768 0.13834144282182 0.89294051158683 35.453 *9 Cl 0.00000000000000 0.50230080595536 0.75000000000000 35.453 10 Cl 0.50000000000000 0.99769919404464 0.25000000000000 35.453 11 Cl 0.00000000000000 0.49769919404464 0.25000000000000 35.453 12 Cl 0.50000000000000 0.00230080595536 0.75000000000000 35.453 13 Cl 0.78191504074232 0.86165855717818 0.10705948841316 35.453 14 Cl 0.71808495925768 0.63834144282182 0.60705948841317 35.453 15 Cl 0.21808495925768 0.86165855717818 0.39294051158684 35.453 16 Cl 0.28191504074232 0.63834144282182 0.89294051158683 35.453 *17 Nd 0.40743632304908 0.32277622351151 0.00566264619815 144.242 18 Nd 0.09256367695092 0.17722377648849 0.50566264619815 144.242 19 Nd 0.59256367695092 0.32277622351151 0.49433735380185 144.242 20 Nd 0.90743632304908 0.17722377648849 0.99433735380185 144.242 21 Nd 0.59256367695092 0.67722377648849 0.99433735380185 144.242 22 Nd 0.90743632304908 0.82277622351151 0.49433735380185 144.242 23 Nd 0.40743632304908 0.67722377648849 0.50566264619815 144.242 24 Nd 0.09256367695092 0.82277622351151 0.00566264619815 144.242 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.365912720000004 0.000000000000000 0.000000000000000 b 0.000000000000000 6.782898680000002 0.000000000000000 c 0.000000000000000 0.000000000000000 6.197230049999999 Atomic positions (fractional): *1 N 0.50000000000000 0.49293072697889 0.75000000000000 14.007 > 1 2 N 0.00000000000000 0.00706927302111 0.25000000000000 14.007 > 2 3 N 0.50000000000000 0.50706927302111 0.25000000000000 14.007 > 3 4 N 0.00000000000000 0.99293072697889 0.75000000000000 14.007 > 4 *5 Cl 0.71808495925768 0.36165855717818 0.10705948841316 35.453 > 5 6 Cl 0.78191504074232 0.13834144282182 0.60705948841317 35.453 > 6 7 Cl 0.28191504074232 0.36165855717818 0.39294051158684 35.453 > 7 8 Cl 0.21808495925768 0.13834144282182 0.89294051158683 35.453 > 8 *9 Cl 0.00000000000000 0.50230080595536 0.75000000000000 35.453 > 9 10 Cl 0.50000000000000 0.99769919404464 0.25000000000000 35.453 > 10 11 Cl 0.00000000000000 0.49769919404464 0.25000000000000 35.453 > 11 12 Cl 0.50000000000000 0.00230080595536 0.75000000000000 35.453 > 12 13 Cl 0.78191504074232 0.86165855717818 0.10705948841316 35.453 > 13 14 Cl 0.71808495925768 0.63834144282182 0.60705948841317 35.453 > 14 15 Cl 0.21808495925768 0.86165855717818 0.39294051158684 35.453 > 15 16 Cl 0.28191504074232 0.63834144282182 0.89294051158683 35.453 > 16 *17 Nd 0.40743632304908 0.32277622351151 0.00566264619815 144.242 > 17 18 Nd 0.09256367695092 0.17722377648849 0.50566264619815 144.242 > 18 19 Nd 0.59256367695092 0.32277622351151 0.49433735380185 144.242 > 19 20 Nd 0.90743632304908 0.17722377648849 0.99433735380185 144.242 > 20 21 Nd 0.59256367695092 0.67722377648849 0.99433735380185 144.242 > 21 22 Nd 0.90743632304908 0.82277622351151 0.49433735380185 144.242 > 22 23 Nd 0.40743632304908 0.67722377648849 0.50566264619815 144.242 > 23 24 Nd 0.09256367695092 0.82277622351151 0.00566264619815 144.242 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.365912720000004 0.000000000000000 0.000000000000000 b 0.000000000000000 13.565797360000005 0.000000000000000 c 0.000000000000000 0.000000000000000 18.591690149999998 Atomic positions (fractional): *1 N 0.50000000000000 0.24646536348945 0.25000000000000 14.007 > 1 2 N 0.50000000000000 0.74646536348945 0.25000000000000 14.007 > 1 3 N 0.50000000000000 0.24646536348945 0.58333333333333 14.007 > 1 4 N 0.50000000000000 0.74646536348945 0.58333333333333 14.007 > 1 5 N 0.50000000000000 0.24646536348945 0.91666666666667 14.007 > 1 6 N 0.50000000000000 0.74646536348945 0.91666666666667 14.007 > 1 7 N 0.00000000000000 0.00353463651055 0.08333333333333 14.007 > 2 8 N 0.00000000000000 0.50353463651055 0.08333333333333 14.007 > 2 9 N 0.00000000000000 0.00353463651055 0.41666666666667 14.007 > 2 10 N 0.00000000000000 0.50353463651055 0.41666666666667 14.007 > 2 11 N 0.00000000000000 0.00353463651055 0.75000000000000 14.007 > 2 12 N 0.00000000000000 0.50353463651055 0.75000000000000 14.007 > 2 13 N 0.50000000000000 0.25353463651055 0.08333333333333 14.007 > 3 14 N 0.50000000000000 0.75353463651055 0.08333333333333 14.007 > 3 15 N 0.50000000000000 0.25353463651055 0.41666666666667 14.007 > 3 16 N 0.50000000000000 0.75353463651055 0.41666666666667 14.007 > 3 17 N 0.50000000000000 0.25353463651055 0.75000000000000 14.007 > 3 18 N 0.50000000000000 0.75353463651055 0.75000000000000 14.007 > 3 19 N 0.00000000000000 0.49646536348945 0.25000000000000 14.007 > 4 20 N 0.00000000000000 0.99646536348945 0.25000000000000 14.007 > 4 21 N 0.00000000000000 0.49646536348945 0.58333333333333 14.007 > 4 22 N 0.00000000000000 0.99646536348945 0.58333333333333 14.007 > 4 23 N 0.00000000000000 0.49646536348945 0.91666666666667 14.007 > 4 24 N 0.00000000000000 0.99646536348945 0.91666666666667 14.007 > 4 *25 Cl 0.71808495925768 0.18082927858909 0.03568649613772 35.453 > 5 26 Cl 0.71808495925768 0.68082927858909 0.03568649613772 35.453 > 5 27 Cl 0.71808495925768 0.18082927858909 0.36901982947105 35.453 > 5 28 Cl 0.71808495925768 0.68082927858909 0.36901982947105 35.453 > 5 29 Cl 0.71808495925768 0.18082927858909 0.70235316280439 35.453 > 5 30 Cl 0.71808495925768 0.68082927858909 0.70235316280439 35.453 > 5 31 Cl 0.78191504074232 0.06917072141091 0.20235316280439 35.453 > 6 32 Cl 0.78191504074232 0.56917072141091 0.20235316280439 35.453 > 6 33 Cl 0.78191504074232 0.06917072141091 0.53568649613772 35.453 > 6 34 Cl 0.78191504074232 0.56917072141091 0.53568649613772 35.453 > 6 35 Cl 0.78191504074232 0.06917072141091 0.86901982947105 35.453 > 6 36 Cl 0.78191504074232 0.56917072141091 0.86901982947105 35.453 > 6 37 Cl 0.28191504074232 0.18082927858909 0.13098017052895 35.453 > 7 38 Cl 0.28191504074232 0.68082927858909 0.13098017052895 35.453 > 7 39 Cl 0.28191504074232 0.18082927858909 0.46431350386228 35.453 > 7 40 Cl 0.28191504074232 0.68082927858909 0.46431350386228 35.453 > 7 41 Cl 0.28191504074232 0.18082927858909 0.79764683719561 35.453 > 7 42 Cl 0.28191504074232 0.68082927858909 0.79764683719561 35.453 > 7 43 Cl 0.21808495925768 0.06917072141091 0.29764683719561 35.453 > 8 44 Cl 0.21808495925768 0.56917072141091 0.29764683719561 35.453 > 8 45 Cl 0.21808495925768 0.06917072141091 0.63098017052894 35.453 > 8 46 Cl 0.21808495925768 0.56917072141091 0.63098017052894 35.453 > 8 47 Cl 0.21808495925768 0.06917072141091 0.96431350386228 35.453 > 8 48 Cl 0.21808495925768 0.56917072141091 0.96431350386228 35.453 > 8 *49 Cl 0.00000000000000 0.25115040297768 0.25000000000000 35.453 > 9 50 Cl 0.00000000000000 0.75115040297768 0.25000000000000 35.453 > 9 51 Cl 0.00000000000000 0.25115040297768 0.58333333333333 35.453 > 9 52 Cl 0.00000000000000 0.75115040297768 0.58333333333333 35.453 > 9 53 Cl 0.00000000000000 0.25115040297768 0.91666666666667 35.453 > 9 54 Cl 0.00000000000000 0.75115040297768 0.91666666666667 35.453 > 9 55 Cl 0.50000000000000 0.49884959702232 0.08333333333333 35.453 > 10 56 Cl 0.50000000000000 0.99884959702232 0.08333333333333 35.453 > 10 57 Cl 0.50000000000000 0.49884959702232 0.41666666666667 35.453 > 10 58 Cl 0.50000000000000 0.99884959702232 0.41666666666667 35.453 > 10 59 Cl 0.50000000000000 0.49884959702232 0.75000000000000 35.453 > 10 60 Cl 0.50000000000000 0.99884959702232 0.75000000000000 35.453 > 10 61 Cl 0.00000000000000 0.24884959702232 0.08333333333333 35.453 > 11 62 Cl 0.00000000000000 0.74884959702232 0.08333333333333 35.453 > 11 63 Cl 0.00000000000000 0.24884959702232 0.41666666666667 35.453 > 11 64 Cl 0.00000000000000 0.74884959702232 0.41666666666667 35.453 > 11 65 Cl 0.00000000000000 0.24884959702232 0.75000000000000 35.453 > 11 66 Cl 0.00000000000000 0.74884959702232 0.75000000000000 35.453 > 11 67 Cl 0.50000000000000 0.00115040297768 0.25000000000000 35.453 > 12 68 Cl 0.50000000000000 0.50115040297768 0.25000000000000 35.453 > 12 69 Cl 0.50000000000000 0.00115040297768 0.58333333333333 35.453 > 12 70 Cl 0.50000000000000 0.50115040297768 0.58333333333333 35.453 > 12 71 Cl 0.50000000000000 0.00115040297768 0.91666666666667 35.453 > 12 72 Cl 0.50000000000000 0.50115040297768 0.91666666666667 35.453 > 12 73 Cl 0.78191504074232 0.43082927858909 0.03568649613772 35.453 > 13 74 Cl 0.78191504074232 0.93082927858909 0.03568649613772 35.453 > 13 75 Cl 0.78191504074232 0.43082927858909 0.36901982947105 35.453 > 13 76 Cl 0.78191504074232 0.93082927858909 0.36901982947105 35.453 > 13 77 Cl 0.78191504074232 0.43082927858909 0.70235316280439 35.453 > 13 78 Cl 0.78191504074232 0.93082927858909 0.70235316280439 35.453 > 13 79 Cl 0.71808495925768 0.31917072141091 0.20235316280439 35.453 > 14 80 Cl 0.71808495925768 0.81917072141091 0.20235316280439 35.453 > 14 81 Cl 0.71808495925768 0.31917072141091 0.53568649613772 35.453 > 14 82 Cl 0.71808495925768 0.81917072141091 0.53568649613772 35.453 > 14 83 Cl 0.71808495925768 0.31917072141091 0.86901982947105 35.453 > 14 84 Cl 0.71808495925768 0.81917072141091 0.86901982947105 35.453 > 14 85 Cl 0.21808495925768 0.43082927858909 0.13098017052895 35.453 > 15 86 Cl 0.21808495925768 0.93082927858909 0.13098017052895 35.453 > 15 87 Cl 0.21808495925768 0.43082927858909 0.46431350386228 35.453 > 15 88 Cl 0.21808495925768 0.93082927858909 0.46431350386228 35.453 > 15 89 Cl 0.21808495925768 0.43082927858909 0.79764683719561 35.453 > 15 90 Cl 0.21808495925768 0.93082927858909 0.79764683719561 35.453 > 15 91 Cl 0.28191504074232 0.31917072141091 0.29764683719561 35.453 > 16 92 Cl 0.28191504074232 0.81917072141091 0.29764683719561 35.453 > 16 93 Cl 0.28191504074232 0.31917072141091 0.63098017052894 35.453 > 16 94 Cl 0.28191504074232 0.81917072141091 0.63098017052894 35.453 > 16 95 Cl 0.28191504074232 0.31917072141091 0.96431350386228 35.453 > 16 96 Cl 0.28191504074232 0.81917072141091 0.96431350386228 35.453 > 16 *97 Nd 0.40743632304908 0.16138811175575 0.00188754873272 144.242 > 17 98 Nd 0.40743632304908 0.66138811175575 0.00188754873272 144.242 > 17 99 Nd 0.40743632304908 0.16138811175575 0.33522088206605 144.242 > 17 100 Nd 0.40743632304908 0.66138811175575 0.33522088206605 144.242 > 17 101 Nd 0.40743632304908 0.16138811175575 0.66855421539938 144.242 > 17 102 Nd 0.40743632304908 0.66138811175575 0.66855421539938 144.242 > 17 103 Nd 0.09256367695092 0.08861188824425 0.16855421539938 144.242 > 18 104 Nd 0.09256367695092 0.58861188824425 0.16855421539938 144.242 > 18 105 Nd 0.09256367695092 0.08861188824425 0.50188754873272 144.242 > 18 106 Nd 0.09256367695092 0.58861188824425 0.50188754873272 144.242 > 18 107 Nd 0.09256367695092 0.08861188824425 0.83522088206605 144.242 > 18 108 Nd 0.09256367695092 0.58861188824425 0.83522088206605 144.242 > 18 109 Nd 0.59256367695092 0.16138811175575 0.16477911793395 144.242 > 19 110 Nd 0.59256367695092 0.66138811175575 0.16477911793395 144.242 > 19 111 Nd 0.59256367695092 0.16138811175575 0.49811245126728 144.242 > 19 112 Nd 0.59256367695092 0.66138811175575 0.49811245126728 144.242 > 19 113 Nd 0.59256367695092 0.16138811175575 0.83144578460062 144.242 > 19 114 Nd 0.59256367695092 0.66138811175575 0.83144578460062 144.242 > 19 115 Nd 0.90743632304908 0.08861188824425 0.33144578460062 144.242 > 20 116 Nd 0.90743632304908 0.58861188824425 0.33144578460062 144.242 > 20 117 Nd 0.90743632304908 0.08861188824425 0.66477911793395 144.242 > 20 118 Nd 0.90743632304908 0.58861188824425 0.66477911793395 144.242 > 20 119 Nd 0.90743632304908 0.08861188824425 0.99811245126728 144.242 > 20 120 Nd 0.90743632304908 0.58861188824425 0.99811245126728 144.242 > 20 121 Nd 0.59256367695092 0.33861188824425 0.33144578460062 144.242 > 21 122 Nd 0.59256367695092 0.83861188824425 0.33144578460062 144.242 > 21 123 Nd 0.59256367695092 0.33861188824425 0.66477911793395 144.242 > 21 124 Nd 0.59256367695092 0.83861188824425 0.66477911793395 144.242 > 21 125 Nd 0.59256367695092 0.33861188824425 0.99811245126728 144.242 > 21 126 Nd 0.59256367695092 0.83861188824425 0.99811245126728 144.242 > 21 127 Nd 0.90743632304908 0.41138811175575 0.16477911793395 144.242 > 22 128 Nd 0.90743632304908 0.91138811175575 0.16477911793395 144.242 > 22 129 Nd 0.90743632304908 0.41138811175575 0.49811245126728 144.242 > 22 130 Nd 0.90743632304908 0.91138811175575 0.49811245126728 144.242 > 22 131 Nd 0.90743632304908 0.41138811175575 0.83144578460062 144.242 > 22 132 Nd 0.90743632304908 0.91138811175575 0.83144578460062 144.242 > 22 133 Nd 0.40743632304908 0.33861188824425 0.16855421539938 144.242 > 23 134 Nd 0.40743632304908 0.83861188824425 0.16855421539938 144.242 > 23 135 Nd 0.40743632304908 0.33861188824425 0.50188754873272 144.242 > 23 136 Nd 0.40743632304908 0.83861188824425 0.50188754873272 144.242 > 23 137 Nd 0.40743632304908 0.33861188824425 0.83522088206605 144.242 > 23 138 Nd 0.40743632304908 0.83861188824425 0.83522088206605 144.242 > 23 139 Nd 0.09256367695092 0.41138811175575 0.00188754873272 144.242 > 24 140 Nd 0.09256367695092 0.91138811175575 0.00188754873272 144.242 > 24 141 Nd 0.09256367695092 0.41138811175575 0.33522088206605 144.242 > 24 142 Nd 0.09256367695092 0.91138811175575 0.33522088206605 144.242 > 24 143 Nd 0.09256367695092 0.41138811175575 0.66855421539938 144.242 > 24 144 Nd 0.09256367695092 0.91138811175575 0.66855421539938 144.242 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4277983 0.0000000 0.0000000 0.0000000 4.3234366 0.0000000 0.0000000 0.0000000 4.8167755 -------------------------- Born effective charges -------------------------- 1 N -2.9276386 0.0000000 -0.0506470 0.0000000 -2.7009160 0.0000000 0.0556610 0.0000000 -4.4847631 2 N -2.9276386 0.0000000 0.0506470 0.0000000 -2.7009160 0.0000000 -0.0556610 0.0000000 -4.4847631 3 N -2.9276386 0.0000000 -0.0506470 0.0000000 -2.7009160 0.0000000 0.0556610 0.0000000 -4.4847631 4 N -2.9276386 0.0000000 0.0506470 0.0000000 -2.7009160 0.0000000 -0.0556610 0.0000000 -4.4847631 5 Cl -1.8120644 0.5733734 0.3150425 0.7413508 -1.2000571 0.0096593 0.3439911 0.1185892 -1.2162061 6 Cl -1.8120644 0.5733734 -0.3150425 0.7413508 -1.2000571 -0.0096593 -0.3439911 -0.1185892 -1.2162061 7 Cl -1.8120644 -0.5733734 0.3150425 -0.7413508 -1.2000571 -0.0096593 0.3439911 -0.1185892 -1.2162061 8 Cl -1.8120644 -0.5733734 -0.3150425 -0.7413508 -1.2000571 0.0096593 -0.3439911 0.1185892 -1.2162061 9 Cl -0.7210315 0.0000000 0.0154435 0.0000000 -2.0149397 0.0000000 0.0047284 0.0000000 -1.2782807 10 Cl -0.7210315 0.0000000 -0.0154435 0.0000000 -2.0149397 0.0000000 -0.0047284 0.0000000 -1.2782807 11 Cl -0.7210315 0.0000000 0.0154435 0.0000000 -2.0149397 0.0000000 0.0047284 0.0000000 -1.2782807 12 Cl -0.7210315 0.0000000 -0.0154435 0.0000000 -2.0149397 0.0000000 -0.0047284 0.0000000 -1.2782807 13 Cl -1.8120644 -0.5733734 -0.3150425 -0.7413508 -1.2000571 0.0096593 -0.3439911 0.1185892 -1.2162061 14 Cl -1.8120644 -0.5733734 0.3150425 -0.7413508 -1.2000571 -0.0096593 0.3439911 -0.1185892 -1.2162061 15 Cl -1.8120644 0.5733734 -0.3150425 0.7413508 -1.2000571 -0.0096593 -0.3439911 -0.1185892 -1.2162061 16 Cl -1.8120644 0.5733734 0.3150425 0.7413508 -1.2000571 0.0096593 0.3439911 0.1185892 -1.2162061 17 Nd 3.6363995 0.5157771 0.0813873 0.4071229 3.5579850 -0.1544977 0.0632333 0.0016198 4.0977280 18 Nd 3.6363995 0.5157771 -0.0813873 0.4071229 3.5579850 0.1544977 -0.0632333 -0.0016198 4.0977280 19 Nd 3.6363995 -0.5157771 0.0813873 -0.4071229 3.5579850 0.1544977 0.0632333 -0.0016198 4.0977280 20 Nd 3.6363995 -0.5157771 -0.0813873 -0.4071229 3.5579850 -0.1544977 -0.0632333 0.0016198 4.0977280 21 Nd 3.6363995 0.5157771 0.0813873 0.4071229 3.5579850 -0.1544977 0.0632333 0.0016198 4.0977280 22 Nd 3.6363995 0.5157771 -0.0813873 0.4071229 3.5579850 0.1544977 -0.0632333 -0.0016198 4.0977280 23 Nd 3.6363995 -0.5157771 0.0813873 -0.4071229 3.5579850 0.1544977 0.0632333 -0.0016198 4.0977280 24 Nd 3.6363995 -0.5157771 -0.0813873 -0.4071229 3.5579850 -0.1544977 -0.0632333 0.0016198 4.0977280 ---------------------------------------------------------------------------- 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: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2060 Number of blocks in projector: 2060 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: 448 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 416 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 416 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 260 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 260 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 260 Use standard eigh solver. Tree of FC basis block matrices: - (2060, 2032), data: False |-- (260, 256), data: True |-- (260, 256), data: True |-- (260, 256), data: True |-- (416, 412), data: True |-- (416, 412), data: True |-- (448, 440), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 1.146 Solver_block: 200 / 400 - Time: 0.990 Solver_block: 300 / 400 - Time: 0.920 Solver_block: 400 / 400 - Time: 0.978 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.634 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2060 Number of blocks in projector: 2060 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: 448 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 416 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 416 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 260 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 260 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 260 Use standard eigh solver. Tree of FC basis block matrices: - (2060, 2032), data: False |-- (260, 256), data: True |-- (260, 256), data: True |-- (260, 256), data: True |-- (416, 412), data: True |-- (416, 412), data: True |-- (448, 440), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) 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 07:43:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:43:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.365912720000004 0.000000000000000 0.000000000000000 b 0.000000000000000 6.782898680000002 0.000000000000000 c 0.000000000000000 0.000000000000000 6.197230049999999 Atomic positions (fractional): 1 N 0.50000000000000 0.49293072697889 0.75000000000000 14.007 2 N 0.00000000000000 0.00706927302111 0.25000000000000 14.007 3 N 0.50000000000000 0.50706927302111 0.25000000000000 14.007 4 N 0.00000000000000 0.99293072697889 0.75000000000000 14.007 5 Cl 0.71808495925768 0.36165855717818 0.10705948841316 35.453 6 Cl 0.78191504074232 0.13834144282182 0.60705948841317 35.453 7 Cl 0.28191504074232 0.36165855717818 0.39294051158684 35.453 8 Cl 0.21808495925768 0.13834144282182 0.89294051158683 35.453 9 Cl 0.00000000000000 0.50230080595536 0.75000000000000 35.453 10 Cl 0.50000000000000 0.99769919404464 0.25000000000000 35.453 11 Cl 0.00000000000000 0.49769919404464 0.25000000000000 35.453 12 Cl 0.50000000000000 0.00230080595536 0.75000000000000 35.453 13 Cl 0.78191504074232 0.86165855717818 0.10705948841316 35.453 14 Cl 0.71808495925768 0.63834144282182 0.60705948841317 35.453 15 Cl 0.21808495925768 0.86165855717818 0.39294051158684 35.453 16 Cl 0.28191504074232 0.63834144282182 0.89294051158683 35.453 17 Nd 0.40743632304908 0.32277622351151 0.00566264619815 144.242 18 Nd 0.09256367695092 0.17722377648849 0.50566264619815 144.242 19 Nd 0.59256367695092 0.32277622351151 0.49433735380185 144.242 20 Nd 0.90743632304908 0.17722377648849 0.99433735380185 144.242 21 Nd 0.59256367695092 0.67722377648849 0.99433735380185 144.242 22 Nd 0.90743632304908 0.82277622351151 0.49433735380185 144.242 23 Nd 0.40743632304908 0.67722377648849 0.50566264619815 144.242 24 Nd 0.09256367695092 0.82277622351151 0.00566264619815 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.365912720000004 0.000000000000000 0.000000000000000 b 0.000000000000000 13.565797360000005 0.000000000000000 c 0.000000000000000 0.000000000000000 18.591690149999998 Atomic positions (fractional): 1 N 0.50000000000000 0.24646536348945 0.25000000000000 14.007 > 1 2 N 0.50000000000000 0.74646536348945 0.25000000000000 14.007 > 1 3 N 0.50000000000000 0.24646536348945 0.58333333333333 14.007 > 1 4 N 0.50000000000000 0.74646536348945 0.58333333333333 14.007 > 1 5 N 0.50000000000000 0.24646536348945 0.91666666666667 14.007 > 1 6 N 0.50000000000000 0.74646536348945 0.91666666666667 14.007 > 1 7 N 0.00000000000000 0.00353463651055 0.08333333333333 14.007 > 7 8 N 0.00000000000000 0.50353463651055 0.08333333333333 14.007 > 7 9 N 0.00000000000000 0.00353463651055 0.41666666666667 14.007 > 7 10 N 0.00000000000000 0.50353463651055 0.41666666666667 14.007 > 7 11 N 0.00000000000000 0.00353463651055 0.75000000000000 14.007 > 7 12 N 0.00000000000000 0.50353463651055 0.75000000000000 14.007 > 7 13 N 0.50000000000000 0.25353463651055 0.08333333333333 14.007 > 13 14 N 0.50000000000000 0.75353463651055 0.08333333333333 14.007 > 13 15 N 0.50000000000000 0.25353463651055 0.41666666666667 14.007 > 13 16 N 0.50000000000000 0.75353463651055 0.41666666666667 14.007 > 13 17 N 0.50000000000000 0.25353463651055 0.75000000000000 14.007 > 13 18 N 0.50000000000000 0.75353463651055 0.75000000000000 14.007 > 13 19 N 0.00000000000000 0.49646536348945 0.25000000000000 14.007 > 19 20 N 0.00000000000000 0.99646536348945 0.25000000000000 14.007 > 19 21 N 0.00000000000000 0.49646536348945 0.58333333333333 14.007 > 19 22 N 0.00000000000000 0.99646536348945 0.58333333333333 14.007 > 19 23 N 0.00000000000000 0.49646536348945 0.91666666666667 14.007 > 19 24 N 0.00000000000000 0.99646536348945 0.91666666666667 14.007 > 19 25 Cl 0.71808495925768 0.18082927858909 0.03568649613772 35.453 > 25 26 Cl 0.71808495925768 0.68082927858909 0.03568649613772 35.453 > 25 27 Cl 0.71808495925768 0.18082927858909 0.36901982947105 35.453 > 25 28 Cl 0.71808495925768 0.68082927858909 0.36901982947105 35.453 > 25 29 Cl 0.71808495925768 0.18082927858909 0.70235316280439 35.453 > 25 30 Cl 0.71808495925768 0.68082927858909 0.70235316280439 35.453 > 25 31 Cl 0.78191504074232 0.06917072141091 0.20235316280439 35.453 > 31 32 Cl 0.78191504074232 0.56917072141091 0.20235316280439 35.453 > 31 33 Cl 0.78191504074232 0.06917072141091 0.53568649613772 35.453 > 31 34 Cl 0.78191504074232 0.56917072141091 0.53568649613772 35.453 > 31 35 Cl 0.78191504074232 0.06917072141091 0.86901982947105 35.453 > 31 36 Cl 0.78191504074232 0.56917072141091 0.86901982947105 35.453 > 31 37 Cl 0.28191504074232 0.18082927858909 0.13098017052895 35.453 > 37 38 Cl 0.28191504074232 0.68082927858909 0.13098017052895 35.453 > 37 39 Cl 0.28191504074232 0.18082927858909 0.46431350386228 35.453 > 37 40 Cl 0.28191504074232 0.68082927858909 0.46431350386228 35.453 > 37 41 Cl 0.28191504074232 0.18082927858909 0.79764683719561 35.453 > 37 42 Cl 0.28191504074232 0.68082927858909 0.79764683719561 35.453 > 37 43 Cl 0.21808495925768 0.06917072141091 0.29764683719561 35.453 > 43 44 Cl 0.21808495925768 0.56917072141091 0.29764683719561 35.453 > 43 45 Cl 0.21808495925768 0.06917072141091 0.63098017052894 35.453 > 43 46 Cl 0.21808495925768 0.56917072141091 0.63098017052894 35.453 > 43 47 Cl 0.21808495925768 0.06917072141091 0.96431350386228 35.453 > 43 48 Cl 0.21808495925768 0.56917072141091 0.96431350386228 35.453 > 43 49 Cl 0.00000000000000 0.25115040297768 0.25000000000000 35.453 > 49 50 Cl 0.00000000000000 0.75115040297768 0.25000000000000 35.453 > 49 51 Cl 0.00000000000000 0.25115040297768 0.58333333333333 35.453 > 49 52 Cl 0.00000000000000 0.75115040297768 0.58333333333333 35.453 > 49 53 Cl 0.00000000000000 0.25115040297768 0.91666666666667 35.453 > 49 54 Cl 0.00000000000000 0.75115040297768 0.91666666666667 35.453 > 49 55 Cl 0.50000000000000 0.49884959702232 0.08333333333333 35.453 > 55 56 Cl 0.50000000000000 0.99884959702232 0.08333333333333 35.453 > 55 57 Cl 0.50000000000000 0.49884959702232 0.41666666666667 35.453 > 55 58 Cl 0.50000000000000 0.99884959702232 0.41666666666667 35.453 > 55 59 Cl 0.50000000000000 0.49884959702232 0.75000000000000 35.453 > 55 60 Cl 0.50000000000000 0.99884959702232 0.75000000000000 35.453 > 55 61 Cl 0.00000000000000 0.24884959702232 0.08333333333333 35.453 > 61 62 Cl 0.00000000000000 0.74884959702232 0.08333333333333 35.453 > 61 63 Cl 0.00000000000000 0.24884959702232 0.41666666666667 35.453 > 61 64 Cl 0.00000000000000 0.74884959702232 0.41666666666667 35.453 > 61 65 Cl 0.00000000000000 0.24884959702232 0.75000000000000 35.453 > 61 66 Cl 0.00000000000000 0.74884959702232 0.75000000000000 35.453 > 61 67 Cl 0.50000000000000 0.00115040297768 0.25000000000000 35.453 > 67 68 Cl 0.50000000000000 0.50115040297768 0.25000000000000 35.453 > 67 69 Cl 0.50000000000000 0.00115040297768 0.58333333333333 35.453 > 67 70 Cl 0.50000000000000 0.50115040297768 0.58333333333333 35.453 > 67 71 Cl 0.50000000000000 0.00115040297768 0.91666666666667 35.453 > 67 72 Cl 0.50000000000000 0.50115040297768 0.91666666666667 35.453 > 67 73 Cl 0.78191504074232 0.43082927858909 0.03568649613772 35.453 > 73 74 Cl 0.78191504074232 0.93082927858909 0.03568649613772 35.453 > 73 75 Cl 0.78191504074232 0.43082927858909 0.36901982947105 35.453 > 73 76 Cl 0.78191504074232 0.93082927858909 0.36901982947105 35.453 > 73 77 Cl 0.78191504074232 0.43082927858909 0.70235316280439 35.453 > 73 78 Cl 0.78191504074232 0.93082927858909 0.70235316280439 35.453 > 73 79 Cl 0.71808495925768 0.31917072141091 0.20235316280439 35.453 > 79 80 Cl 0.71808495925768 0.81917072141091 0.20235316280439 35.453 > 79 81 Cl 0.71808495925768 0.31917072141091 0.53568649613772 35.453 > 79 82 Cl 0.71808495925768 0.81917072141091 0.53568649613772 35.453 > 79 83 Cl 0.71808495925768 0.31917072141091 0.86901982947105 35.453 > 79 84 Cl 0.71808495925768 0.81917072141091 0.86901982947105 35.453 > 79 85 Cl 0.21808495925768 0.43082927858909 0.13098017052895 35.453 > 85 86 Cl 0.21808495925768 0.93082927858909 0.13098017052895 35.453 > 85 87 Cl 0.21808495925768 0.43082927858909 0.46431350386228 35.453 > 85 88 Cl 0.21808495925768 0.93082927858909 0.46431350386228 35.453 > 85 89 Cl 0.21808495925768 0.43082927858909 0.79764683719561 35.453 > 85 90 Cl 0.21808495925768 0.93082927858909 0.79764683719561 35.453 > 85 91 Cl 0.28191504074232 0.31917072141091 0.29764683719561 35.453 > 91 92 Cl 0.28191504074232 0.81917072141091 0.29764683719561 35.453 > 91 93 Cl 0.28191504074232 0.31917072141091 0.63098017052894 35.453 > 91 94 Cl 0.28191504074232 0.81917072141091 0.63098017052894 35.453 > 91 95 Cl 0.28191504074232 0.31917072141091 0.96431350386228 35.453 > 91 96 Cl 0.28191504074232 0.81917072141091 0.96431350386228 35.453 > 91 97 Nd 0.40743632304908 0.16138811175575 0.00188754873272 144.242 > 97 98 Nd 0.40743632304908 0.66138811175575 0.00188754873272 144.242 > 97 99 Nd 0.40743632304908 0.16138811175575 0.33522088206605 144.242 > 97 100 Nd 0.40743632304908 0.66138811175575 0.33522088206605 144.242 > 97 101 Nd 0.40743632304908 0.16138811175575 0.66855421539938 144.242 > 97 102 Nd 0.40743632304908 0.66138811175575 0.66855421539938 144.242 > 97 103 Nd 0.09256367695092 0.08861188824425 0.16855421539938 144.242 > 103 104 Nd 0.09256367695092 0.58861188824425 0.16855421539938 144.242 > 103 105 Nd 0.09256367695092 0.08861188824425 0.50188754873272 144.242 > 103 106 Nd 0.09256367695092 0.58861188824425 0.50188754873272 144.242 > 103 107 Nd 0.09256367695092 0.08861188824425 0.83522088206605 144.242 > 103 108 Nd 0.09256367695092 0.58861188824425 0.83522088206605 144.242 > 103 109 Nd 0.59256367695092 0.16138811175575 0.16477911793395 144.242 > 109 110 Nd 0.59256367695092 0.66138811175575 0.16477911793395 144.242 > 109 111 Nd 0.59256367695092 0.16138811175575 0.49811245126728 144.242 > 109 112 Nd 0.59256367695092 0.66138811175575 0.49811245126728 144.242 > 109 113 Nd 0.59256367695092 0.16138811175575 0.83144578460062 144.242 > 109 114 Nd 0.59256367695092 0.66138811175575 0.83144578460062 144.242 > 109 115 Nd 0.90743632304908 0.08861188824425 0.33144578460062 144.242 > 115 116 Nd 0.90743632304908 0.58861188824425 0.33144578460062 144.242 > 115 117 Nd 0.90743632304908 0.08861188824425 0.66477911793395 144.242 > 115 118 Nd 0.90743632304908 0.58861188824425 0.66477911793395 144.242 > 115 119 Nd 0.90743632304908 0.08861188824425 0.99811245126728 144.242 > 115 120 Nd 0.90743632304908 0.58861188824425 0.99811245126728 144.242 > 115 121 Nd 0.59256367695092 0.33861188824425 0.33144578460062 144.242 > 121 122 Nd 0.59256367695092 0.83861188824425 0.33144578460062 144.242 > 121 123 Nd 0.59256367695092 0.33861188824425 0.66477911793395 144.242 > 121 124 Nd 0.59256367695092 0.83861188824425 0.66477911793395 144.242 > 121 125 Nd 0.59256367695092 0.33861188824425 0.99811245126728 144.242 > 121 126 Nd 0.59256367695092 0.83861188824425 0.99811245126728 144.242 > 121 127 Nd 0.90743632304908 0.41138811175575 0.16477911793395 144.242 > 127 128 Nd 0.90743632304908 0.91138811175575 0.16477911793395 144.242 > 127 129 Nd 0.90743632304908 0.41138811175575 0.49811245126728 144.242 > 127 130 Nd 0.90743632304908 0.91138811175575 0.49811245126728 144.242 > 127 131 Nd 0.90743632304908 0.41138811175575 0.83144578460062 144.242 > 127 132 Nd 0.90743632304908 0.91138811175575 0.83144578460062 144.242 > 127 133 Nd 0.40743632304908 0.33861188824425 0.16855421539938 144.242 > 133 134 Nd 0.40743632304908 0.83861188824425 0.16855421539938 144.242 > 133 135 Nd 0.40743632304908 0.33861188824425 0.50188754873272 144.242 > 133 136 Nd 0.40743632304908 0.83861188824425 0.50188754873272 144.242 > 133 137 Nd 0.40743632304908 0.33861188824425 0.83522088206605 144.242 > 133 138 Nd 0.40743632304908 0.83861188824425 0.83522088206605 144.242 > 133 139 Nd 0.09256367695092 0.41138811175575 0.00188754873272 144.242 > 139 140 Nd 0.09256367695092 0.91138811175575 0.00188754873272 144.242 > 139 141 Nd 0.09256367695092 0.41138811175575 0.33522088206605 144.242 > 139 142 Nd 0.09256367695092 0.91138811175575 0.33522088206605 144.242 > 139 143 Nd 0.09256367695092 0.41138811175575 0.66855421539938 144.242 > 139 144 Nd 0.09256367695092 0.91138811175575 0.66855421539938 144.242 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4277983 0.0000000 0.0000000 0.0000000 4.3234366 0.0000000 0.0000000 0.0000000 4.8167755 -------------------------- Born effective charges -------------------------- 1 N -2.9276386 0.0000000 -0.0506470 0.0000000 -2.7009160 0.0000000 0.0556610 0.0000000 -4.4847631 2 N -2.9276386 0.0000000 0.0506470 0.0000000 -2.7009160 0.0000000 -0.0556610 0.0000000 -4.4847631 3 N -2.9276386 0.0000000 -0.0506470 0.0000000 -2.7009160 0.0000000 0.0556610 0.0000000 -4.4847631 4 N -2.9276386 0.0000000 0.0506470 0.0000000 -2.7009160 0.0000000 -0.0556610 0.0000000 -4.4847631 5 Cl -1.8120644 0.5733734 0.3150425 0.7413508 -1.2000571 0.0096593 0.3439911 0.1185892 -1.2162061 6 Cl -1.8120644 0.5733734 -0.3150425 0.7413508 -1.2000571 -0.0096593 -0.3439911 -0.1185892 -1.2162061 7 Cl -1.8120644 -0.5733734 0.3150425 -0.7413508 -1.2000571 -0.0096593 0.3439911 -0.1185892 -1.2162061 8 Cl -1.8120644 -0.5733734 -0.3150425 -0.7413508 -1.2000571 0.0096593 -0.3439911 0.1185892 -1.2162061 9 Cl -0.7210315 0.0000000 0.0154435 0.0000000 -2.0149397 0.0000000 0.0047284 0.0000000 -1.2782807 10 Cl -0.7210315 0.0000000 -0.0154435 0.0000000 -2.0149397 0.0000000 -0.0047284 0.0000000 -1.2782807 11 Cl -0.7210315 0.0000000 0.0154435 0.0000000 -2.0149397 0.0000000 0.0047284 0.0000000 -1.2782807 12 Cl -0.7210315 0.0000000 -0.0154435 0.0000000 -2.0149397 0.0000000 -0.0047284 0.0000000 -1.2782807 13 Cl -1.8120644 -0.5733734 -0.3150425 -0.7413508 -1.2000571 0.0096593 -0.3439911 0.1185892 -1.2162061 14 Cl -1.8120644 -0.5733734 0.3150425 -0.7413508 -1.2000571 -0.0096593 0.3439911 -0.1185892 -1.2162061 15 Cl -1.8120644 0.5733734 -0.3150425 0.7413508 -1.2000571 -0.0096593 -0.3439911 -0.1185892 -1.2162061 16 Cl -1.8120644 0.5733734 0.3150425 0.7413508 -1.2000571 0.0096593 0.3439911 0.1185892 -1.2162061 17 Nd 3.6363995 0.5157771 0.0813873 0.4071229 3.5579850 -0.1544977 0.0632333 0.0016198 4.0977280 18 Nd 3.6363995 0.5157771 -0.0813873 0.4071229 3.5579850 0.1544977 -0.0632333 -0.0016198 4.0977280 19 Nd 3.6363995 -0.5157771 0.0813873 -0.4071229 3.5579850 0.1544977 0.0632333 -0.0016198 4.0977280 20 Nd 3.6363995 -0.5157771 -0.0813873 -0.4071229 3.5579850 -0.1544977 -0.0632333 0.0016198 4.0977280 21 Nd 3.6363995 0.5157771 0.0813873 0.4071229 3.5579850 -0.1544977 0.0632333 0.0016198 4.0977280 22 Nd 3.6363995 0.5157771 -0.0813873 0.4071229 3.5579850 0.1544977 -0.0632333 -0.0016198 4.0977280 23 Nd 3.6363995 -0.5157771 0.0813873 -0.4071229 3.5579850 0.1544977 0.0632333 -0.0016198 4.0977280 24 Nd 3.6363995 -0.5157771 -0.0813873 -0.4071229 3.5579850 -0.1544977 -0.0632333 0.0016198 4.0977280 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:44:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:44:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.365912720000004 0.000000000000000 0.000000000000000 b 0.000000000000000 6.782898680000002 0.000000000000000 c 0.000000000000000 0.000000000000000 6.197230049999999 Atomic positions (fractional): 1 N 0.50000000000000 0.49293072697889 0.75000000000000 14.007 2 N 0.00000000000000 0.00706927302111 0.25000000000000 14.007 3 N 0.50000000000000 0.50706927302111 0.25000000000000 14.007 4 N 0.00000000000000 0.99293072697889 0.75000000000000 14.007 5 Cl 0.71808495925768 0.36165855717818 0.10705948841316 35.453 6 Cl 0.78191504074232 0.13834144282182 0.60705948841317 35.453 7 Cl 0.28191504074232 0.36165855717818 0.39294051158684 35.453 8 Cl 0.21808495925768 0.13834144282182 0.89294051158683 35.453 9 Cl 0.00000000000000 0.50230080595536 0.75000000000000 35.453 10 Cl 0.50000000000000 0.99769919404464 0.25000000000000 35.453 11 Cl 0.00000000000000 0.49769919404464 0.25000000000000 35.453 12 Cl 0.50000000000000 0.00230080595536 0.75000000000000 35.453 13 Cl 0.78191504074232 0.86165855717818 0.10705948841316 35.453 14 Cl 0.71808495925768 0.63834144282182 0.60705948841317 35.453 15 Cl 0.21808495925768 0.86165855717818 0.39294051158684 35.453 16 Cl 0.28191504074232 0.63834144282182 0.89294051158683 35.453 17 Nd 0.40743632304908 0.32277622351151 0.00566264619815 144.242 18 Nd 0.09256367695092 0.17722377648849 0.50566264619815 144.242 19 Nd 0.59256367695092 0.32277622351151 0.49433735380185 144.242 20 Nd 0.90743632304908 0.17722377648849 0.99433735380185 144.242 21 Nd 0.59256367695092 0.67722377648849 0.99433735380185 144.242 22 Nd 0.90743632304908 0.82277622351151 0.49433735380185 144.242 23 Nd 0.40743632304908 0.67722377648849 0.50566264619815 144.242 24 Nd 0.09256367695092 0.82277622351151 0.00566264619815 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.365912720000004 0.000000000000000 0.000000000000000 b 0.000000000000000 13.565797360000005 0.000000000000000 c 0.000000000000000 0.000000000000000 18.591690149999998 Atomic positions (fractional): 1 N 0.50000000000000 0.24646536348945 0.25000000000000 14.007 > 1 2 N 0.50000000000000 0.74646536348945 0.25000000000000 14.007 > 1 3 N 0.50000000000000 0.24646536348945 0.58333333333333 14.007 > 1 4 N 0.50000000000000 0.74646536348945 0.58333333333333 14.007 > 1 5 N 0.50000000000000 0.24646536348945 0.91666666666667 14.007 > 1 6 N 0.50000000000000 0.74646536348945 0.91666666666667 14.007 > 1 7 N 0.00000000000000 0.00353463651055 0.08333333333333 14.007 > 7 8 N 0.00000000000000 0.50353463651055 0.08333333333333 14.007 > 7 9 N 0.00000000000000 0.00353463651055 0.41666666666667 14.007 > 7 10 N 0.00000000000000 0.50353463651055 0.41666666666667 14.007 > 7 11 N 0.00000000000000 0.00353463651055 0.75000000000000 14.007 > 7 12 N 0.00000000000000 0.50353463651055 0.75000000000000 14.007 > 7 13 N 0.50000000000000 0.25353463651055 0.08333333333333 14.007 > 13 14 N 0.50000000000000 0.75353463651055 0.08333333333333 14.007 > 13 15 N 0.50000000000000 0.25353463651055 0.41666666666667 14.007 > 13 16 N 0.50000000000000 0.75353463651055 0.41666666666667 14.007 > 13 17 N 0.50000000000000 0.25353463651055 0.75000000000000 14.007 > 13 18 N 0.50000000000000 0.75353463651055 0.75000000000000 14.007 > 13 19 N 0.00000000000000 0.49646536348945 0.25000000000000 14.007 > 19 20 N 0.00000000000000 0.99646536348945 0.25000000000000 14.007 > 19 21 N 0.00000000000000 0.49646536348945 0.58333333333333 14.007 > 19 22 N 0.00000000000000 0.99646536348945 0.58333333333333 14.007 > 19 23 N 0.00000000000000 0.49646536348945 0.91666666666667 14.007 > 19 24 N 0.00000000000000 0.99646536348945 0.91666666666667 14.007 > 19 25 Cl 0.71808495925768 0.18082927858909 0.03568649613772 35.453 > 25 26 Cl 0.71808495925768 0.68082927858909 0.03568649613772 35.453 > 25 27 Cl 0.71808495925768 0.18082927858909 0.36901982947105 35.453 > 25 28 Cl 0.71808495925768 0.68082927858909 0.36901982947105 35.453 > 25 29 Cl 0.71808495925768 0.18082927858909 0.70235316280439 35.453 > 25 30 Cl 0.71808495925768 0.68082927858909 0.70235316280439 35.453 > 25 31 Cl 0.78191504074232 0.06917072141091 0.20235316280439 35.453 > 31 32 Cl 0.78191504074232 0.56917072141091 0.20235316280439 35.453 > 31 33 Cl 0.78191504074232 0.06917072141091 0.53568649613772 35.453 > 31 34 Cl 0.78191504074232 0.56917072141091 0.53568649613772 35.453 > 31 35 Cl 0.78191504074232 0.06917072141091 0.86901982947105 35.453 > 31 36 Cl 0.78191504074232 0.56917072141091 0.86901982947105 35.453 > 31 37 Cl 0.28191504074232 0.18082927858909 0.13098017052895 35.453 > 37 38 Cl 0.28191504074232 0.68082927858909 0.13098017052895 35.453 > 37 39 Cl 0.28191504074232 0.18082927858909 0.46431350386228 35.453 > 37 40 Cl 0.28191504074232 0.68082927858909 0.46431350386228 35.453 > 37 41 Cl 0.28191504074232 0.18082927858909 0.79764683719561 35.453 > 37 42 Cl 0.28191504074232 0.68082927858909 0.79764683719561 35.453 > 37 43 Cl 0.21808495925768 0.06917072141091 0.29764683719561 35.453 > 43 44 Cl 0.21808495925768 0.56917072141091 0.29764683719561 35.453 > 43 45 Cl 0.21808495925768 0.06917072141091 0.63098017052894 35.453 > 43 46 Cl 0.21808495925768 0.56917072141091 0.63098017052894 35.453 > 43 47 Cl 0.21808495925768 0.06917072141091 0.96431350386228 35.453 > 43 48 Cl 0.21808495925768 0.56917072141091 0.96431350386228 35.453 > 43 49 Cl 0.00000000000000 0.25115040297768 0.25000000000000 35.453 > 49 50 Cl 0.00000000000000 0.75115040297768 0.25000000000000 35.453 > 49 51 Cl 0.00000000000000 0.25115040297768 0.58333333333333 35.453 > 49 52 Cl 0.00000000000000 0.75115040297768 0.58333333333333 35.453 > 49 53 Cl 0.00000000000000 0.25115040297768 0.91666666666667 35.453 > 49 54 Cl 0.00000000000000 0.75115040297768 0.91666666666667 35.453 > 49 55 Cl 0.50000000000000 0.49884959702232 0.08333333333333 35.453 > 55 56 Cl 0.50000000000000 0.99884959702232 0.08333333333333 35.453 > 55 57 Cl 0.50000000000000 0.49884959702232 0.41666666666667 35.453 > 55 58 Cl 0.50000000000000 0.99884959702232 0.41666666666667 35.453 > 55 59 Cl 0.50000000000000 0.49884959702232 0.75000000000000 35.453 > 55 60 Cl 0.50000000000000 0.99884959702232 0.75000000000000 35.453 > 55 61 Cl 0.00000000000000 0.24884959702232 0.08333333333333 35.453 > 61 62 Cl 0.00000000000000 0.74884959702232 0.08333333333333 35.453 > 61 63 Cl 0.00000000000000 0.24884959702232 0.41666666666667 35.453 > 61 64 Cl 0.00000000000000 0.74884959702232 0.41666666666667 35.453 > 61 65 Cl 0.00000000000000 0.24884959702232 0.75000000000000 35.453 > 61 66 Cl 0.00000000000000 0.74884959702232 0.75000000000000 35.453 > 61 67 Cl 0.50000000000000 0.00115040297768 0.25000000000000 35.453 > 67 68 Cl 0.50000000000000 0.50115040297768 0.25000000000000 35.453 > 67 69 Cl 0.50000000000000 0.00115040297768 0.58333333333333 35.453 > 67 70 Cl 0.50000000000000 0.50115040297768 0.58333333333333 35.453 > 67 71 Cl 0.50000000000000 0.00115040297768 0.91666666666667 35.453 > 67 72 Cl 0.50000000000000 0.50115040297768 0.91666666666667 35.453 > 67 73 Cl 0.78191504074232 0.43082927858909 0.03568649613772 35.453 > 73 74 Cl 0.78191504074232 0.93082927858909 0.03568649613772 35.453 > 73 75 Cl 0.78191504074232 0.43082927858909 0.36901982947105 35.453 > 73 76 Cl 0.78191504074232 0.93082927858909 0.36901982947105 35.453 > 73 77 Cl 0.78191504074232 0.43082927858909 0.70235316280439 35.453 > 73 78 Cl 0.78191504074232 0.93082927858909 0.70235316280439 35.453 > 73 79 Cl 0.71808495925768 0.31917072141091 0.20235316280439 35.453 > 79 80 Cl 0.71808495925768 0.81917072141091 0.20235316280439 35.453 > 79 81 Cl 0.71808495925768 0.31917072141091 0.53568649613772 35.453 > 79 82 Cl 0.71808495925768 0.81917072141091 0.53568649613772 35.453 > 79 83 Cl 0.71808495925768 0.31917072141091 0.86901982947105 35.453 > 79 84 Cl 0.71808495925768 0.81917072141091 0.86901982947105 35.453 > 79 85 Cl 0.21808495925768 0.43082927858909 0.13098017052895 35.453 > 85 86 Cl 0.21808495925768 0.93082927858909 0.13098017052895 35.453 > 85 87 Cl 0.21808495925768 0.43082927858909 0.46431350386228 35.453 > 85 88 Cl 0.21808495925768 0.93082927858909 0.46431350386228 35.453 > 85 89 Cl 0.21808495925768 0.43082927858909 0.79764683719561 35.453 > 85 90 Cl 0.21808495925768 0.93082927858909 0.79764683719561 35.453 > 85 91 Cl 0.28191504074232 0.31917072141091 0.29764683719561 35.453 > 91 92 Cl 0.28191504074232 0.81917072141091 0.29764683719561 35.453 > 91 93 Cl 0.28191504074232 0.31917072141091 0.63098017052894 35.453 > 91 94 Cl 0.28191504074232 0.81917072141091 0.63098017052894 35.453 > 91 95 Cl 0.28191504074232 0.31917072141091 0.96431350386228 35.453 > 91 96 Cl 0.28191504074232 0.81917072141091 0.96431350386228 35.453 > 91 97 Nd 0.40743632304908 0.16138811175575 0.00188754873272 144.242 > 97 98 Nd 0.40743632304908 0.66138811175575 0.00188754873272 144.242 > 97 99 Nd 0.40743632304908 0.16138811175575 0.33522088206605 144.242 > 97 100 Nd 0.40743632304908 0.66138811175575 0.33522088206605 144.242 > 97 101 Nd 0.40743632304908 0.16138811175575 0.66855421539938 144.242 > 97 102 Nd 0.40743632304908 0.66138811175575 0.66855421539938 144.242 > 97 103 Nd 0.09256367695092 0.08861188824425 0.16855421539938 144.242 > 103 104 Nd 0.09256367695092 0.58861188824425 0.16855421539938 144.242 > 103 105 Nd 0.09256367695092 0.08861188824425 0.50188754873272 144.242 > 103 106 Nd 0.09256367695092 0.58861188824425 0.50188754873272 144.242 > 103 107 Nd 0.09256367695092 0.08861188824425 0.83522088206605 144.242 > 103 108 Nd 0.09256367695092 0.58861188824425 0.83522088206605 144.242 > 103 109 Nd 0.59256367695092 0.16138811175575 0.16477911793395 144.242 > 109 110 Nd 0.59256367695092 0.66138811175575 0.16477911793395 144.242 > 109 111 Nd 0.59256367695092 0.16138811175575 0.49811245126728 144.242 > 109 112 Nd 0.59256367695092 0.66138811175575 0.49811245126728 144.242 > 109 113 Nd 0.59256367695092 0.16138811175575 0.83144578460062 144.242 > 109 114 Nd 0.59256367695092 0.66138811175575 0.83144578460062 144.242 > 109 115 Nd 0.90743632304908 0.08861188824425 0.33144578460062 144.242 > 115 116 Nd 0.90743632304908 0.58861188824425 0.33144578460062 144.242 > 115 117 Nd 0.90743632304908 0.08861188824425 0.66477911793395 144.242 > 115 118 Nd 0.90743632304908 0.58861188824425 0.66477911793395 144.242 > 115 119 Nd 0.90743632304908 0.08861188824425 0.99811245126728 144.242 > 115 120 Nd 0.90743632304908 0.58861188824425 0.99811245126728 144.242 > 115 121 Nd 0.59256367695092 0.33861188824425 0.33144578460062 144.242 > 121 122 Nd 0.59256367695092 0.83861188824425 0.33144578460062 144.242 > 121 123 Nd 0.59256367695092 0.33861188824425 0.66477911793395 144.242 > 121 124 Nd 0.59256367695092 0.83861188824425 0.66477911793395 144.242 > 121 125 Nd 0.59256367695092 0.33861188824425 0.99811245126728 144.242 > 121 126 Nd 0.59256367695092 0.83861188824425 0.99811245126728 144.242 > 121 127 Nd 0.90743632304908 0.41138811175575 0.16477911793395 144.242 > 127 128 Nd 0.90743632304908 0.91138811175575 0.16477911793395 144.242 > 127 129 Nd 0.90743632304908 0.41138811175575 0.49811245126728 144.242 > 127 130 Nd 0.90743632304908 0.91138811175575 0.49811245126728 144.242 > 127 131 Nd 0.90743632304908 0.41138811175575 0.83144578460062 144.242 > 127 132 Nd 0.90743632304908 0.91138811175575 0.83144578460062 144.242 > 127 133 Nd 0.40743632304908 0.33861188824425 0.16855421539938 144.242 > 133 134 Nd 0.40743632304908 0.83861188824425 0.16855421539938 144.242 > 133 135 Nd 0.40743632304908 0.33861188824425 0.50188754873272 144.242 > 133 136 Nd 0.40743632304908 0.83861188824425 0.50188754873272 144.242 > 133 137 Nd 0.40743632304908 0.33861188824425 0.83522088206605 144.242 > 133 138 Nd 0.40743632304908 0.83861188824425 0.83522088206605 144.242 > 133 139 Nd 0.09256367695092 0.41138811175575 0.00188754873272 144.242 > 139 140 Nd 0.09256367695092 0.91138811175575 0.00188754873272 144.242 > 139 141 Nd 0.09256367695092 0.41138811175575 0.33522088206605 144.242 > 139 142 Nd 0.09256367695092 0.91138811175575 0.33522088206605 144.242 > 139 143 Nd 0.09256367695092 0.41138811175575 0.66855421539938 144.242 > 139 144 Nd 0.09256367695092 0.91138811175575 0.66855421539938 144.242 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4277983 0.0000000 0.0000000 0.0000000 4.3234366 0.0000000 0.0000000 0.0000000 4.8167755 -------------------------- Born effective charges -------------------------- 1 N -2.9276386 0.0000000 -0.0506470 0.0000000 -2.7009160 0.0000000 0.0556610 0.0000000 -4.4847631 2 N -2.9276386 0.0000000 0.0506470 0.0000000 -2.7009160 0.0000000 -0.0556610 0.0000000 -4.4847631 3 N -2.9276386 0.0000000 -0.0506470 0.0000000 -2.7009160 0.0000000 0.0556610 0.0000000 -4.4847631 4 N -2.9276386 0.0000000 0.0506470 0.0000000 -2.7009160 0.0000000 -0.0556610 0.0000000 -4.4847631 5 Cl -1.8120644 0.5733734 0.3150425 0.7413508 -1.2000571 0.0096593 0.3439911 0.1185892 -1.2162061 6 Cl -1.8120644 0.5733734 -0.3150425 0.7413508 -1.2000571 -0.0096593 -0.3439911 -0.1185892 -1.2162061 7 Cl -1.8120644 -0.5733734 0.3150425 -0.7413508 -1.2000571 -0.0096593 0.3439911 -0.1185892 -1.2162061 8 Cl -1.8120644 -0.5733734 -0.3150425 -0.7413508 -1.2000571 0.0096593 -0.3439911 0.1185892 -1.2162061 9 Cl -0.7210315 0.0000000 0.0154435 0.0000000 -2.0149397 0.0000000 0.0047284 0.0000000 -1.2782807 10 Cl -0.7210315 0.0000000 -0.0154435 0.0000000 -2.0149397 0.0000000 -0.0047284 0.0000000 -1.2782807 11 Cl -0.7210315 0.0000000 0.0154435 0.0000000 -2.0149397 0.0000000 0.0047284 0.0000000 -1.2782807 12 Cl -0.7210315 0.0000000 -0.0154435 0.0000000 -2.0149397 0.0000000 -0.0047284 0.0000000 -1.2782807 13 Cl -1.8120644 -0.5733734 -0.3150425 -0.7413508 -1.2000571 0.0096593 -0.3439911 0.1185892 -1.2162061 14 Cl -1.8120644 -0.5733734 0.3150425 -0.7413508 -1.2000571 -0.0096593 0.3439911 -0.1185892 -1.2162061 15 Cl -1.8120644 0.5733734 -0.3150425 0.7413508 -1.2000571 -0.0096593 -0.3439911 -0.1185892 -1.2162061 16 Cl -1.8120644 0.5733734 0.3150425 0.7413508 -1.2000571 0.0096593 0.3439911 0.1185892 -1.2162061 17 Nd 3.6363995 0.5157771 0.0813873 0.4071229 3.5579850 -0.1544977 0.0632333 0.0016198 4.0977280 18 Nd 3.6363995 0.5157771 -0.0813873 0.4071229 3.5579850 0.1544977 -0.0632333 -0.0016198 4.0977280 19 Nd 3.6363995 -0.5157771 0.0813873 -0.4071229 3.5579850 0.1544977 0.0632333 -0.0016198 4.0977280 20 Nd 3.6363995 -0.5157771 -0.0813873 -0.4071229 3.5579850 -0.1544977 -0.0632333 0.0016198 4.0977280 21 Nd 3.6363995 0.5157771 0.0813873 0.4071229 3.5579850 -0.1544977 0.0632333 0.0016198 4.0977280 22 Nd 3.6363995 0.5157771 -0.0813873 0.4071229 3.5579850 0.1544977 -0.0632333 -0.0016198 4.0977280 23 Nd 3.6363995 -0.5157771 0.0813873 -0.4071229 3.5579850 0.1544977 0.0632333 -0.0016198 4.0977280 24 Nd 3.6363995 -0.5157771 -0.0813873 -0.4071229 3.5579850 -0.1544977 -0.0632333 0.0016198 4.0977280 ---------------------------------------------------------------------------- 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 (zz) 0.00000000 (zz) --------------------------- 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 ... [ 4 7 8 ] 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: 0.50, Number of G-points: 309, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 60 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 1.004 ( 0.000 0.000 0.000) 0.000 1.024 ( 0.000 0.000 0.000) 0.000 1.037 ( 0.000 0.000 0.000) 0.000 1.377 ( 0.000 0.000 0.000) 0.000 1.536 ( 0.000 0.000 0.000) 0.000 1.566 ( 0.000 0.000 0.000) 0.000 2.107 ( 0.000 0.000 0.000) 0.000 2.225 ( 0.000 0.000 0.000) 0.000 2.413 ( 0.000 0.000 0.000) 0.000 2.706 ( 0.000 0.000 0.000) 0.000 2.752 ( 0.000 0.000 0.000) 0.000 2.810 ( 0.000 0.000 0.000) 0.000 2.834 ( 0.000 0.000 0.000) 0.000 2.835 ( 0.000 0.000 0.000) 0.000 2.967 ( 0.000 0.000 0.000) 0.000 3.049 ( 0.000 0.000 0.000) 0.000 3.051 ( 0.000 0.000 0.000) 0.000 3.181 ( 0.000 0.000 0.000) 0.000 3.256 ( 0.000 0.000 0.000) 0.000 3.285 ( 0.000 0.000 0.000) 0.000 3.437 ( 0.000 0.000 0.000) 0.000 3.554 ( 0.000 0.000 0.000) 0.000 3.560 ( 0.000 0.000 0.000) 0.000 3.583 ( 0.000 0.000 0.000) 0.000 3.606 ( 0.000 0.000 0.000) 0.000 3.720 ( 0.000 0.000 0.000) 0.000 4.019 ( 0.000 0.000 0.000) 0.000 4.034 ( 0.000 0.000 0.000) 0.000 4.226 ( 0.000 0.000 0.000) 0.000 4.274 ( 0.000 0.000 0.000) 0.000 4.283 ( 0.000 0.000 0.000) 0.000 4.620 ( 0.000 0.000 0.000) 0.000 4.626 ( 0.000 0.000 0.000) 0.000 4.736 ( 0.000 0.000 0.000) 0.000 4.748 ( 0.000 0.000 0.000) 0.000 4.796 ( 0.000 0.000 0.000) 0.000 4.943 ( 0.000 0.000 0.000) 0.000 5.085 ( 0.000 0.000 0.000) 0.000 5.310 ( 0.000 0.000 0.000) 0.000 5.338 ( 0.000 0.000 0.000) 0.000 5.355 ( 0.000 0.000 0.000) 0.000 5.461 ( 0.000 0.000 0.000) 0.000 5.525 ( 0.000 0.000 0.000) 0.000 5.591 ( 0.000 0.000 0.000) 0.000 5.630 ( 0.000 0.000 0.000) 0.000 6.076 ( 0.000 0.000 0.000) 0.000 6.157 ( 0.000 0.000 0.000) 0.000 6.280 ( 0.000 0.000 0.000) 0.000 6.357 ( 0.000 0.000 0.000) 0.000 6.789 ( 0.000 0.000 0.000) 0.000 6.822 ( 0.000 0.000 0.000) 0.000 6.824 ( 0.000 0.000 0.000) 0.000 6.986 ( 0.000 0.000 0.000) 0.000 7.182 ( 0.000 0.000 0.000) 0.000 8.105 ( 0.000 0.000 0.000) 0.000 8.107 ( 0.000 0.000 0.000) 0.000 8.489 ( 0.000 0.000 0.000) 0.000 11.865 ( 0.000 0.000 0.000) 0.000 11.870 ( 0.000 0.000 0.000) 0.000 12.472 ( 0.000 0.000 0.000) 0.000 12.509 ( 0.000 0.000 0.000) 0.000 12.578 ( 0.000 0.000 0.000) 0.000 12.601 ( 0.000 0.000 0.000) 0.000 14.539 ( 0.000 0.000 0.000) 0.000 14.762 ( 0.000 0.000 0.000) 0.000 15.290 ( 0.000 0.000 0.000) 0.000 16.688 ( 0.000 0.000 0.000) 0.000 17.887 ( 0.000 0.000 0.000) 0.000 17.975 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.358 ( 18.341 0.000 0.000) 18.341 0.497 ( 25.318 0.000 0.000) 25.318 0.845 ( 43.558 0.000 0.000) 43.558 0.899 ( -8.251 0.000 0.000) 8.251 1.042 ( 0.430 0.000 0.000) 0.430 1.049 ( 0.545 0.000 0.000) 0.545 1.237 ( -12.846 0.000 0.000) 12.846 1.571 ( 1.717 0.000 0.000) 1.717 1.571 ( 0.549 0.000 0.000) 0.549 2.185 ( 7.939 0.000 0.000) 7.939 2.248 ( 2.331 0.000 0.000) 2.331 2.340 ( -31.979 0.000 0.000) 31.979 2.379 ( -3.311 0.000 0.000) 3.311 2.629 ( -11.919 0.000 0.000) 11.919 2.827 ( 0.233 0.000 0.000) 0.233 2.836 ( 0.105 0.000 0.000) 0.105 2.848 ( 3.788 0.000 0.000) 3.788 2.989 ( 3.850 0.000 0.000) 3.850 3.022 ( -3.412 0.000 0.000) 3.412 3.189 ( -1.437 0.000 0.000) 1.437 3.247 ( 1.975 0.000 0.000) 1.975 3.263 ( -3.695 0.000 0.000) 3.695 3.313 ( 4.432 0.000 0.000) 4.432 3.425 ( -1.280 0.000 0.000) 1.280 3.566 ( 0.718 0.000 0.000) 0.718 3.572 ( 1.557 0.000 0.000) 1.557 3.590 ( 0.265 0.000 0.000) 0.265 3.617 ( -0.580 0.000 0.000) 0.580 3.848 ( 11.335 0.000 0.000) 11.335 4.039 ( 1.542 0.000 0.000) 1.542 4.045 ( 0.987 0.000 0.000) 0.987 4.184 ( -4.468 0.000 0.000) 4.468 4.277 ( 0.282 0.000 0.000) 0.282 4.285 ( 0.137 0.000 0.000) 0.137 4.622 ( 0.165 0.000 0.000) 0.165 4.626 ( 0.024 0.000 0.000) 0.024 4.703 ( -1.225 0.000 0.000) 1.225 4.727 ( -0.903 0.000 0.000) 0.903 4.913 ( 8.564 0.000 0.000) 8.564 5.098 ( 1.316 0.000 0.000) 1.316 5.165 ( -1.388 0.000 0.000) 1.388 5.245 ( -7.284 0.000 0.000) 7.284 5.328 ( 1.703 0.000 0.000) 1.703 5.377 ( 0.171 0.000 0.000) 0.171 5.468 ( 0.767 0.000 0.000) 0.767 5.516 ( -1.055 0.000 0.000) 1.055 5.595 ( 0.506 0.000 0.000) 0.506 5.624 ( -0.662 0.000 0.000) 0.662 6.100 ( 2.549 0.000 0.000) 2.549 6.185 ( 2.843 0.000 0.000) 2.843 6.245 ( -3.479 0.000 0.000) 3.479 6.325 ( -3.149 0.000 0.000) 3.149 6.794 ( 0.498 0.000 0.000) 0.498 6.817 ( -0.466 0.000 0.000) 0.466 7.019 ( 3.192 0.000 0.000) 3.192 7.156 ( -2.644 0.000 0.000) 2.644 8.105 ( 0.033 0.000 0.000) 0.033 8.107 ( -0.029 0.000 0.000) 0.029 8.390 ( 1.815 0.000 0.000) 1.815 8.473 ( -1.650 0.000 0.000) 1.650 11.866 ( 0.070 0.000 0.000) 0.070 11.869 ( -0.077 0.000 0.000) 0.077 12.477 ( 0.532 0.000 0.000) 0.532 12.504 ( -0.579 0.000 0.000) 0.579 12.603 ( 0.207 0.000 0.000) 0.207 12.613 ( -0.201 0.000 0.000) 0.201 14.572 ( 3.336 0.000 0.000) 3.336 14.729 ( -3.273 0.000 0.000) 3.273 16.688 ( 0.015 0.000 0.000) 0.015 16.689 ( -0.001 0.000 0.000) 0.001 17.900 ( 1.290 0.000 0.000) 1.290 17.962 ( -1.334 0.000 0.000) 1.334 ======================= Grid point 2 (3/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( -14.789 0.000 0.000) 14.789 0.671 ( 14.789 0.000 0.000) 14.789 0.926 ( -20.128 0.000 0.000) 20.128 0.926 ( 20.128 0.000 0.000) 20.128 1.050 ( -0.331 0.000 0.000) 0.331 1.050 ( 0.331 0.000 0.000) 0.331 1.582 ( -0.325 0.000 0.000) 0.325 1.582 ( 0.325 0.000 0.000) 0.325 1.648 ( -40.726 0.000 0.000) 40.726 1.648 ( 40.726 0.000 0.000) 40.726 2.308 ( -3.881 0.000 0.000) 3.881 2.308 ( 3.881 0.000 0.000) 3.881 2.385 ( -12.789 0.000 0.000) 12.789 2.385 ( 12.789 0.000 0.000) 12.789 2.834 ( -0.300 0.000 0.000) 0.300 2.834 ( 0.300 0.000 0.000) 0.300 2.936 ( -5.169 0.000 0.000) 5.169 2.936 ( 5.169 0.000 0.000) 5.169 3.095 ( -6.698 0.000 0.000) 6.698 3.095 ( 6.698 0.000 0.000) 6.698 3.248 ( -0.787 0.000 0.000) 0.787 3.248 ( 0.787 0.000 0.000) 0.787 3.385 ( -3.055 0.000 0.000) 3.055 3.385 ( 3.055 0.000 0.000) 3.055 3.583 ( -0.872 0.000 0.000) 0.872 3.583 ( 0.872 0.000 0.000) 0.872 3.600 ( -1.232 0.000 0.000) 1.232 3.600 ( 1.232 0.000 0.000) 1.232 4.041 ( -5.083 0.000 0.000) 5.083 4.041 ( 5.083 0.000 0.000) 5.083 4.070 ( -4.263 0.000 0.000) 4.263 4.070 ( 4.263 0.000 0.000) 4.263 4.283 ( -0.323 0.000 0.000) 0.323 4.283 ( 0.323 0.000 0.000) 0.323 4.625 ( -0.129 0.000 0.000) 0.129 4.625 ( 0.129 0.000 0.000) 0.129 4.707 ( -1.067 0.000 0.000) 1.067 4.707 ( 1.067 0.000 0.000) 1.067 5.085 ( -9.364 0.000 0.000) 9.364 5.085 ( 9.364 0.000 0.000) 9.364 5.131 ( -2.028 0.000 0.000) 2.028 5.131 ( 2.028 0.000 0.000) 2.028 5.362 ( -1.607 0.000 0.000) 1.607 5.362 ( 1.607 0.000 0.000) 1.607 5.489 ( -1.486 0.000 0.000) 1.486 5.489 ( 1.486 0.000 0.000) 1.486 5.609 ( -0.851 0.000 0.000) 0.851 5.609 ( 0.851 0.000 0.000) 0.851 6.167 ( -4.312 0.000 0.000) 4.312 6.167 ( 4.312 0.000 0.000) 4.312 6.253 ( -4.126 0.000 0.000) 4.126 6.253 ( 4.126 0.000 0.000) 4.126 6.806 ( -0.674 0.000 0.000) 0.674 6.806 ( 0.674 0.000 0.000) 0.674 7.090 ( -4.036 0.000 0.000) 4.036 7.090 ( 4.036 0.000 0.000) 4.036 8.106 ( -0.044 0.000 0.000) 0.044 8.106 ( 0.044 0.000 0.000) 0.044 8.433 ( -2.440 0.000 0.000) 2.440 8.433 ( 2.440 0.000 0.000) 2.440 11.868 ( -0.104 0.000 0.000) 0.104 11.868 ( 0.104 0.000 0.000) 0.104 12.490 ( -0.784 0.000 0.000) 0.784 12.490 ( 0.784 0.000 0.000) 0.784 12.608 ( -0.289 0.000 0.000) 0.289 12.608 ( 0.289 0.000 0.000) 0.289 14.651 ( -4.670 0.000 0.000) 4.670 14.651 ( 4.670 0.000 0.000) 4.670 16.689 ( -0.011 0.000 0.000) 0.011 16.689 ( 0.011 0.000 0.000) 0.011 17.930 ( -1.856 0.000 0.000) 1.856 17.930 ( 1.856 0.000 0.000) 1.856 ======================= Grid point 5 (4/60) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.287 ( 0.000 12.977 0.000) 12.977 0.581 ( 0.000 26.914 0.000) 26.914 0.867 ( 0.000 35.301 0.000) 35.301 1.005 ( 0.000 -1.682 0.000) 1.682 1.155 ( 0.000 10.632 0.000) 10.632 1.195 ( 0.000 19.651 0.000) 19.651 1.444 ( 0.000 5.303 0.000) 5.303 1.667 ( 0.000 11.303 0.000) 11.303 1.825 ( 0.000 13.158 0.000) 13.158 2.033 ( 0.000 -6.886 0.000) 6.886 2.250 ( 0.000 2.883 0.000) 2.883 2.417 ( 0.000 -0.476 0.000) 0.476 2.572 ( 0.000 -7.201 0.000) 7.201 2.633 ( 0.000 -8.995 0.000) 8.995 2.745 ( 0.000 -7.398 0.000) 7.398 2.907 ( 0.000 8.787 0.000) 8.787 2.940 ( 0.000 3.929 0.000) 3.929 3.012 ( 0.000 0.315 0.000) 0.315 3.020 ( 0.000 -3.888 0.000) 3.888 3.052 ( 0.000 1.947 0.000) 1.947 3.201 ( 0.000 3.789 0.000) 3.789 3.282 ( 0.000 -4.590 0.000) 4.590 3.301 ( 0.000 4.036 0.000) 4.036 3.342 ( 0.000 -11.110 0.000) 11.110 3.385 ( 0.000 3.010 0.000) 3.010 3.412 ( 0.000 -12.004 0.000) 12.004 3.730 ( 0.000 7.716 0.000) 7.716 3.749 ( 0.000 2.192 0.000) 2.192 3.758 ( 0.000 7.527 0.000) 7.527 4.069 ( 0.000 1.966 0.000) 1.966 4.097 ( 0.000 5.900 0.000) 5.900 4.203 ( 0.000 -2.222 0.000) 2.222 4.211 ( 0.000 -3.114 0.000) 3.114 4.243 ( 0.000 -3.140 0.000) 3.140 4.679 ( 0.000 4.403 0.000) 4.403 4.684 ( 0.000 5.667 0.000) 5.667 4.712 ( 0.000 -2.377 0.000) 2.377 4.769 ( 0.000 -3.196 0.000) 3.196 4.873 ( 0.000 9.168 0.000) 9.168 4.954 ( 0.000 1.343 0.000) 1.343 5.073 ( 0.000 0.226 0.000) 0.226 5.262 ( 0.000 -4.286 0.000) 4.286 5.333 ( 0.000 -2.577 0.000) 2.577 5.348 ( 0.000 0.826 0.000) 0.826 5.452 ( 0.000 -0.887 0.000) 0.887 5.497 ( 0.000 -3.114 0.000) 3.114 5.643 ( 0.000 0.189 0.000) 0.189 6.076 ( 0.000 0.545 0.000) 0.545 6.140 ( 0.000 -1.188 0.000) 1.188 6.188 ( 0.000 2.912 0.000) 2.912 6.238 ( 0.000 -3.527 0.000) 3.527 6.786 ( 0.000 -0.228 0.000) 0.228 6.787 ( 0.000 -3.457 0.000) 3.457 6.818 ( 0.000 0.014 0.000) 0.014 6.971 ( 0.000 -1.512 0.000) 1.512 7.184 ( 0.000 0.044 0.000) 0.044 7.687 ( 0.000 0.906 0.000) 0.906 8.101 ( 0.000 -0.367 0.000) 0.367 8.102 ( 0.000 -0.417 0.000) 0.417 8.384 ( 0.000 -9.246 0.000) 9.246 11.891 ( 0.000 2.244 0.000) 2.244 11.895 ( 0.000 2.195 0.000) 2.195 12.473 ( 0.000 0.099 0.000) 0.099 12.507 ( 0.000 -0.187 0.000) 0.187 12.572 ( 0.000 -0.556 0.000) 0.556 12.592 ( 0.000 -0.794 0.000) 0.794 14.943 ( 0.000 15.661 0.000) 15.661 15.344 ( 0.000 4.922 0.000) 4.922 15.925 ( 0.000 0.823 0.000) 0.823 16.548 ( 0.000 -12.117 0.000) 12.117 17.899 ( 0.000 1.059 0.000) 1.059 17.981 ( 0.000 0.434 0.000) 0.434 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( 13.163 7.030 0.000) 14.923 0.693 ( 14.078 18.192 0.000) 23.003 0.905 ( -7.893 0.380 0.000) 7.902 1.117 ( 11.751 12.906 0.000) 17.454 1.144 ( -1.766 9.932 0.000) 10.088 1.300 ( 15.755 27.416 0.000) 31.620 1.375 ( -7.642 9.886 0.000) 12.495 1.643 ( -1.643 6.354 0.000) 6.563 1.731 ( -4.569 9.544 0.000) 10.582 2.164 ( 10.894 -0.364 0.000) 10.900 2.266 ( -21.938 -3.347 0.000) 22.192 2.274 ( 2.671 3.033 0.000) 4.041 2.395 ( -4.374 1.175 0.000) 4.529 2.668 ( -2.513 -4.063 0.000) 4.777 2.744 ( -0.189 -7.393 0.000) 7.396 2.775 ( -9.839 1.689 0.000) 9.983 2.946 ( 3.811 8.399 0.000) 9.223 3.059 ( 3.089 4.981 0.000) 5.861 3.084 ( 3.814 -6.989 0.000) 7.962 3.097 ( -0.770 3.351 0.000) 3.439 3.215 ( -0.337 -0.676 0.000) 0.755 3.264 ( -2.868 -1.838 0.000) 3.406 3.297 ( 1.906 -3.254 0.000) 3.771 3.339 ( -1.641 -5.073 0.000) 5.332 3.402 ( 4.263 -3.882 0.000) 5.766 3.460 ( 2.012 -4.844 0.000) 5.246 3.737 ( 0.639 7.238 0.000) 7.267 3.761 ( 0.779 7.162 0.000) 7.204 3.807 ( 5.950 -4.220 0.000) 7.295 4.085 ( 1.461 2.816 0.000) 3.172 4.087 ( -2.116 1.798 0.000) 2.776 4.156 ( -3.758 -0.690 0.000) 3.821 4.216 ( 0.607 -2.927 0.000) 2.990 4.242 ( -0.343 -2.657 0.000) 2.679 4.676 ( -0.192 3.977 0.000) 3.982 4.683 ( -0.126 5.373 0.000) 5.375 4.716 ( -0.036 -1.901 0.000) 1.901 4.730 ( -1.766 0.048 0.000) 1.767 4.975 ( 7.336 3.870 0.000) 8.294 5.003 ( 3.606 -3.015 0.000) 4.701 5.082 ( 1.063 1.241 0.000) 1.634 5.271 ( -5.141 1.000 0.000) 5.237 5.281 ( 1.881 -4.279 0.000) 4.674 5.354 ( -0.659 -2.228 0.000) 2.324 5.456 ( 0.440 -1.194 0.000) 1.272 5.487 ( -0.948 -2.654 0.000) 2.818 5.671 ( 3.194 2.785 0.000) 4.238 5.971 ( -13.531 9.091 0.000) 16.301 6.089 ( 1.561 -0.525 0.000) 1.647 6.205 ( -3.232 -3.239 0.000) 4.575 6.228 ( 4.053 4.178 0.000) 5.821 6.492 ( -12.898 12.346 0.000) 17.855 6.790 ( 0.357 -0.336 0.000) 0.490 6.812 ( -0.717 -0.112 0.000) 0.725 6.995 ( 4.001 -2.005 0.000) 4.475 7.156 ( -2.904 -0.110 0.000) 2.906 8.036 ( 14.207 -15.192 0.000) 20.800 8.101 ( -0.145 -0.533 0.000) 0.552 8.114 ( 3.361 -2.901 0.000) 4.440 8.355 ( -3.044 -10.122 0.000) 10.570 11.891 ( 0.046 2.220 0.000) 2.221 11.894 ( -0.087 2.188 0.000) 2.189 12.479 ( 0.622 0.169 0.000) 0.644 12.504 ( -0.390 -0.049 0.000) 0.393 12.586 ( 0.794 -1.400 0.000) 1.610 12.593 ( 0.058 -0.900 0.000) 0.902 14.912 ( -2.914 15.404 0.000) 15.677 14.954 ( -13.903 21.085 0.000) 25.256 16.355 ( 17.601 -16.250 0.000) 23.955 16.551 ( -0.009 -11.519 0.000) 11.519 17.909 ( 1.015 0.818 0.000) 1.304 17.966 ( -1.447 0.326 0.000) 1.483 ======================= Grid point 7 (6/60) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( -12.587 2.413 0.000) 12.816 0.695 ( 12.587 2.413 0.000) 12.816 1.014 ( -14.384 9.479 0.000) 17.226 1.014 ( 14.384 9.479 0.000) 17.226 1.226 ( -5.110 11.971 0.000) 13.016 1.226 ( 5.110 11.971 0.000) 13.016 1.615 ( -3.968 5.709 0.000) 6.953 1.615 ( 3.968 5.709 0.000) 6.953 1.816 ( -21.737 11.565 0.000) 24.622 1.816 ( 21.737 11.565 0.000) 24.622 2.318 ( -4.254 0.964 0.000) 4.361 2.318 ( 4.254 0.964 0.000) 4.361 2.439 ( -15.280 5.970 0.000) 16.405 2.439 ( 15.280 5.970 0.000) 16.405 2.736 ( -0.649 -7.405 0.000) 7.433 2.736 ( 0.649 -7.405 0.000) 7.433 3.032 ( -4.872 7.355 0.000) 8.822 3.032 ( 4.872 7.355 0.000) 8.822 3.116 ( -1.350 -1.604 0.000) 2.096 3.116 ( 1.350 -1.604 0.000) 2.096 3.207 ( -1.151 -1.261 0.000) 1.707 3.207 ( 1.151 -1.261 0.000) 1.707 3.323 ( -0.755 -5.756 0.000) 5.805 3.323 ( 0.755 -5.756 0.000) 5.805 3.464 ( -1.689 -2.414 0.000) 2.946 3.464 ( 1.689 -2.414 0.000) 2.946 3.754 ( -1.058 6.929 0.000) 7.009 3.754 ( 1.058 6.929 0.000) 7.009 3.970 ( -9.302 -7.244 0.000) 11.790 3.970 ( 9.302 -7.244 0.000) 11.790 4.114 ( -1.471 3.981 0.000) 4.244 4.114 ( 1.471 3.981 0.000) 4.244 4.230 ( -0.786 -2.620 0.000) 2.735 4.230 ( 0.786 -2.620 0.000) 2.735 4.678 ( -0.373 4.162 0.000) 4.178 4.678 ( 0.373 4.162 0.000) 4.178 4.714 ( -0.137 -0.143 0.000) 0.198 4.714 ( 0.137 -0.143 0.000) 0.198 5.045 ( -0.377 -3.936 0.000) 3.954 5.045 ( 0.377 -3.936 0.000) 3.954 5.156 ( -6.647 4.562 0.000) 8.062 5.156 ( 6.647 4.562 0.000) 8.062 5.323 ( -2.306 -3.713 0.000) 4.371 5.323 ( 2.306 -3.713 0.000) 4.371 5.468 ( -0.874 -1.878 0.000) 2.071 5.468 ( 0.874 -1.878 0.000) 2.071 5.770 ( -7.662 8.761 0.000) 11.639 5.770 ( 7.662 8.761 0.000) 11.639 6.137 ( -3.429 -2.246 0.000) 4.100 6.137 ( 3.429 -2.246 0.000) 4.100 6.328 ( -6.538 7.080 0.000) 9.637 6.328 ( 6.538 7.080 0.000) 9.637 6.799 ( -0.628 -0.442 0.000) 0.768 6.799 ( 0.628 -0.442 0.000) 0.768 7.082 ( -4.716 -0.766 0.000) 4.778 7.082 ( 4.716 -0.766 0.000) 4.778 8.096 ( -0.377 -1.085 0.000) 1.149 8.096 ( 0.377 -1.085 0.000) 1.149 8.266 ( -6.780 -12.843 0.000) 14.523 8.266 ( 6.780 -12.843 0.000) 14.523 11.892 ( -0.092 2.187 0.000) 2.189 11.892 ( 0.092 2.187 0.000) 2.189 12.493 ( -0.748 0.183 0.000) 0.770 12.493 ( 0.748 0.183 0.000) 0.770 12.593 ( -0.085 -1.189 0.000) 1.192 12.593 ( 0.085 -1.189 0.000) 1.192 14.864 ( -0.957 16.531 0.000) 16.558 14.864 ( 0.957 16.531 0.000) 16.558 16.526 ( -3.580 -12.083 0.000) 12.602 16.526 ( 3.580 -12.083 0.000) 12.602 17.935 ( -1.691 0.379 0.000) 1.733 17.935 ( 1.691 0.379 0.000) 1.733 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( 0.000 10.871 0.000) 10.871 0.957 ( 0.000 -2.765 0.000) 2.765 1.114 ( 0.000 22.675 0.000) 22.675 1.386 ( 0.000 19.257 0.000) 19.257 1.439 ( 0.000 14.473 0.000) 14.473 1.547 ( 0.000 4.124 0.000) 4.124 1.829 ( 0.000 32.540 0.000) 32.540 1.875 ( 0.000 -6.276 0.000) 6.276 1.949 ( 0.000 14.076 0.000) 14.076 2.175 ( 0.000 18.542 0.000) 18.542 2.312 ( 0.000 0.524 0.000) 0.524 2.325 ( 0.000 -6.658 0.000) 6.658 2.411 ( 0.000 -11.892 0.000) 11.892 2.536 ( 0.000 2.074 0.000) 2.074 2.585 ( 0.000 -5.146 0.000) 5.146 2.870 ( 0.000 -9.354 0.000) 9.354 2.888 ( 0.000 -4.708 0.000) 4.708 2.939 ( 0.000 -6.572 0.000) 6.572 3.083 ( 0.000 -10.659 0.000) 10.659 3.132 ( 0.000 -4.032 0.000) 4.032 3.154 ( 0.000 5.214 0.000) 5.214 3.168 ( 0.000 -5.794 0.000) 5.794 3.237 ( 0.000 9.684 0.000) 9.684 3.327 ( 0.000 7.427 0.000) 7.427 3.428 ( 0.000 6.838 0.000) 6.838 3.490 ( 0.000 4.845 0.000) 4.845 3.758 ( 0.000 -2.933 0.000) 2.933 3.877 ( 0.000 3.668 0.000) 3.668 3.878 ( 0.000 5.979 0.000) 5.979 4.056 ( 0.000 -1.299 0.000) 1.299 4.102 ( 0.000 -8.150 0.000) 8.150 4.133 ( 0.000 -4.300 0.000) 4.300 4.256 ( 0.000 6.677 0.000) 6.677 4.263 ( 0.000 6.175 0.000) 6.175 4.633 ( 0.000 -6.994 0.000) 6.994 4.638 ( 0.000 -4.502 0.000) 4.502 4.813 ( 0.000 5.927 0.000) 5.927 4.824 ( 0.000 6.490 0.000) 6.490 5.007 ( 0.000 3.610 0.000) 3.610 5.052 ( 0.000 6.818 0.000) 6.818 5.094 ( 0.000 -1.243 0.000) 1.243 5.175 ( 0.000 -0.751 0.000) 0.751 5.233 ( 0.000 -6.646 0.000) 6.646 5.365 ( 0.000 0.642 0.000) 0.642 5.417 ( 0.000 -4.192 0.000) 4.192 5.422 ( 0.000 -1.823 0.000) 1.823 5.630 ( 0.000 -0.258 0.000) 0.258 6.048 ( 0.000 -7.832 0.000) 7.832 6.108 ( 0.000 2.058 0.000) 2.058 6.187 ( 0.000 -0.876 0.000) 0.876 6.276 ( 0.000 5.300 0.000) 5.300 6.686 ( 0.000 -5.834 0.000) 5.834 6.785 ( 0.000 0.293 0.000) 0.293 6.846 ( 0.000 3.188 0.000) 3.188 6.924 ( 0.000 -2.847 0.000) 2.847 7.169 ( 0.000 -1.897 0.000) 1.897 7.718 ( 0.000 2.131 0.000) 2.131 8.091 ( 0.000 -0.467 0.000) 0.467 8.092 ( 0.000 -0.512 0.000) 0.512 8.148 ( 0.000 -11.949 0.000) 11.949 11.948 ( 0.000 2.852 0.000) 2.852 11.951 ( 0.000 2.764 0.000) 2.764 12.476 ( 0.000 0.188 0.000) 0.188 12.502 ( 0.000 -0.383 0.000) 0.383 12.559 ( 0.000 -0.584 0.000) 0.584 12.572 ( 0.000 -0.973 0.000) 0.973 15.328 ( 0.000 18.814 0.000) 18.814 15.487 ( 0.000 8.423 0.000) 8.423 15.932 ( 0.000 -0.745 0.000) 0.745 16.244 ( 0.000 -15.305 0.000) 15.305 17.928 ( 0.000 1.581 0.000) 1.581 17.988 ( 0.000 0.083 0.000) 0.083 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( 6.830 8.117 0.000) 10.608 0.898 ( -5.851 -0.884 0.000) 5.917 1.126 ( 3.327 20.307 0.000) 20.578 1.414 ( -3.442 13.287 0.000) 13.725 1.429 ( 3.489 16.482 0.000) 16.847 1.544 ( -1.017 6.183 0.000) 6.266 1.789 ( -5.886 -0.663 0.000) 5.923 1.803 ( -10.905 7.492 0.000) 13.231 1.928 ( 9.048 25.827 0.000) 27.366 2.272 ( 4.368 4.738 0.000) 6.444 2.273 ( -5.979 3.877 0.000) 7.126 2.374 ( -2.873 -6.914 0.000) 7.487 2.386 ( 10.146 9.860 0.000) 14.148 2.551 ( 0.999 -0.793 0.000) 1.275 2.589 ( 0.561 -4.305 0.000) 4.341 2.825 ( -5.835 0.766 0.000) 5.885 2.909 ( 3.647 -8.225 0.000) 8.998 2.994 ( 1.604 -9.020 0.000) 9.161 3.134 ( 4.355 -8.261 0.000) 9.338 3.136 ( 0.657 -9.312 0.000) 9.335 3.172 ( -2.059 4.167 0.000) 4.648 3.177 ( 1.538 -0.376 0.000) 1.584 3.187 ( 2.481 5.705 0.000) 6.221 3.341 ( -2.757 8.736 0.000) 9.161 3.485 ( -0.552 3.136 0.000) 3.184 3.501 ( 6.695 9.373 0.000) 11.519 3.668 ( -5.369 -7.831 0.000) 9.494 3.874 ( -0.625 5.427 0.000) 5.463 3.888 ( 0.774 4.539 0.000) 4.605 3.997 ( -8.090 -6.760 0.000) 10.542 4.093 ( 2.913 -1.720 0.000) 3.382 4.167 ( 0.554 -4.549 0.000) 4.582 4.254 ( -0.004 6.608 0.000) 6.608 4.263 ( -0.064 5.749 0.000) 5.749 4.624 ( -0.556 -6.413 0.000) 6.437 4.634 ( -0.438 -5.064 0.000) 5.083 4.814 ( 0.117 6.052 0.000) 6.053 4.822 ( -0.221 6.445 0.000) 6.449 5.014 ( 0.726 2.653 0.000) 2.751 5.045 ( -0.573 3.318 0.000) 3.367 5.142 ( 4.460 -1.130 0.000) 4.601 5.182 ( 0.639 -0.917 0.000) 1.118 5.221 ( -1.127 -5.691 0.000) 5.802 5.327 ( -3.648 -0.211 0.000) 3.654 5.417 ( -0.302 -2.448 0.000) 2.466 5.419 ( -0.045 -3.562 0.000) 3.562 5.704 ( 6.976 0.981 0.000) 7.045 5.990 ( -5.809 -4.622 0.000) 7.423 6.091 ( -0.786 0.605 0.000) 0.992 6.147 ( -3.167 -1.495 0.000) 3.502 6.351 ( 7.011 6.947 0.000) 9.869 6.649 ( -5.175 1.983 0.000) 5.542 6.788 ( 0.323 0.363 0.000) 0.486 6.830 ( -2.066 1.837 0.000) 2.765 6.953 ( 4.689 -1.365 0.000) 4.884 7.141 ( -2.986 -1.639 0.000) 3.406 7.806 ( 7.982 -5.804 0.000) 9.869 8.074 ( -2.926 -5.112 0.000) 5.890 8.094 ( 0.267 -0.629 0.000) 0.684 8.118 ( -1.979 -7.857 0.000) 8.102 11.948 ( -0.009 2.819 0.000) 2.819 11.950 ( -0.098 2.759 0.000) 2.760 12.483 ( 0.666 0.188 0.000) 0.692 12.501 ( -0.084 -0.222 0.000) 0.237 12.562 ( 0.294 -0.887 0.000) 0.934 12.571 ( -0.142 -1.046 0.000) 1.056 15.268 ( -5.197 15.897 0.000) 16.725 15.292 ( -10.942 11.848 0.000) 16.128 16.152 ( 13.504 -4.804 0.000) 14.333 16.287 ( 3.266 -11.772 0.000) 12.216 17.931 ( 0.359 1.170 0.000) 1.224 17.972 ( -1.476 0.119 0.000) 1.480 ======================= Grid point 12 (9/60) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -8.322 3.263 0.000) 8.939 0.760 ( 8.322 3.263 0.000) 8.939 1.270 ( -10.662 12.947 0.000) 16.772 1.270 ( 10.662 12.947 0.000) 16.772 1.493 ( -3.379 13.599 0.000) 14.013 1.493 ( 3.379 13.599 0.000) 14.013 1.712 ( -1.312 2.014 0.000) 2.404 1.712 ( 1.312 2.014 0.000) 2.404 2.116 ( -10.030 15.820 0.000) 18.731 2.116 ( 10.030 15.820 0.000) 18.731 2.324 ( -2.440 -2.748 0.000) 3.675 2.324 ( 2.440 -2.748 0.000) 3.675 2.554 ( -2.037 -1.097 0.000) 2.314 2.554 ( 2.037 -1.097 0.000) 2.314 2.663 ( -10.055 7.011 0.000) 12.257 2.663 ( 10.055 7.011 0.000) 12.257 2.977 ( -2.802 -6.797 0.000) 7.352 2.977 ( 2.802 -6.797 0.000) 7.352 3.150 ( -0.269 -4.118 0.000) 4.127 3.150 ( 0.269 -4.118 0.000) 4.127 3.191 ( -0.217 -4.747 0.000) 4.752 3.191 ( 0.217 -4.747 0.000) 4.752 3.265 ( -4.757 10.064 0.000) 11.131 3.265 ( 4.757 10.064 0.000) 11.131 3.488 ( -2.149 0.962 0.000) 2.354 3.488 ( 2.149 0.962 0.000) 2.354 3.775 ( -10.856 -5.132 0.000) 12.008 3.775 ( 10.856 -5.132 0.000) 12.008 3.899 ( -0.849 4.093 0.000) 4.180 3.899 ( 0.849 4.093 0.000) 4.180 4.145 ( -2.440 -2.442 0.000) 3.452 4.145 ( 2.440 -2.442 0.000) 3.452 4.259 ( -0.365 5.464 0.000) 5.477 4.259 ( 0.365 5.464 0.000) 5.477 4.623 ( -0.501 -5.803 0.000) 5.825 4.623 ( 0.501 -5.803 0.000) 5.825 4.817 ( -0.235 6.281 0.000) 6.286 4.817 ( 0.235 6.281 0.000) 6.286 5.031 ( -0.939 1.609 0.000) 1.862 5.031 ( 0.939 1.609 0.000) 1.862 5.198 ( -1.138 -3.722 0.000) 3.892 5.198 ( 1.138 -3.722 0.000) 3.892 5.240 ( -5.362 -0.647 0.000) 5.401 5.240 ( 5.362 -0.647 0.000) 5.401 5.416 ( -0.179 -2.998 0.000) 3.004 5.416 ( 0.179 -2.998 0.000) 3.004 5.854 ( -8.221 0.015 0.000) 8.221 5.854 ( 8.221 0.015 0.000) 8.221 6.098 ( -1.627 -1.140 0.000) 1.987 6.098 ( 1.627 -1.140 0.000) 1.987 6.506 ( -8.869 8.044 0.000) 11.973 6.506 ( 8.869 8.044 0.000) 11.973 6.800 ( -1.042 0.734 0.000) 1.275 6.800 ( 1.042 0.734 0.000) 1.275 7.060 ( -5.524 -1.325 0.000) 5.681 7.060 ( 5.524 -1.325 0.000) 5.681 7.964 ( -7.925 -11.241 0.000) 13.754 7.964 ( 7.925 -11.241 0.000) 13.754 8.100 ( -0.450 -1.460 0.000) 1.527 8.100 ( 0.450 -1.460 0.000) 1.527 11.948 ( -0.062 2.770 0.000) 2.771 11.948 ( 0.062 2.770 0.000) 2.771 12.496 ( -0.542 0.071 0.000) 0.546 12.496 ( 0.542 0.071 0.000) 0.546 12.567 ( -0.239 -1.129 0.000) 1.154 12.567 ( 0.239 -1.129 0.000) 1.154 15.198 ( -0.596 13.108 0.000) 13.121 15.198 ( 0.596 13.108 0.000) 13.121 16.305 ( -2.770 -7.531 0.000) 8.024 16.305 ( 2.770 -7.531 0.000) 8.024 17.944 ( -1.180 0.462 0.000) 1.267 17.944 ( 1.180 0.462 0.000) 1.267 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 0.000 8.095 0.000) 8.095 0.878 ( 0.000 -4.970 0.000) 4.970 1.467 ( 0.000 8.798 0.000) 8.798 1.545 ( 0.000 -0.948 0.000) 0.948 1.773 ( 0.000 17.452 0.000) 17.452 1.779 ( 0.000 13.257 0.000) 13.257 1.850 ( 0.000 4.561 0.000) 4.561 2.106 ( 0.000 -12.353 0.000) 12.353 2.177 ( 0.000 -7.676 0.000) 7.676 2.184 ( 0.000 -9.498 0.000) 9.498 2.253 ( 0.000 9.498 0.000) 9.498 2.358 ( 0.000 12.707 0.000) 12.707 2.463 ( 0.000 7.440 0.000) 7.440 2.569 ( 0.000 1.797 0.000) 1.797 2.624 ( 0.000 5.008 0.000) 5.008 2.687 ( 0.000 -5.081 0.000) 5.081 2.741 ( 0.000 -12.307 0.000) 12.307 2.843 ( 0.000 -11.027 0.000) 11.027 2.880 ( 0.000 4.718 0.000) 4.718 3.025 ( 0.000 -7.596 0.000) 7.596 3.097 ( 0.000 12.457 0.000) 12.457 3.400 ( 0.000 9.691 0.000) 9.691 3.442 ( 0.000 -11.154 0.000) 11.154 3.447 ( 0.000 8.349 0.000) 8.349 3.482 ( 0.000 3.597 0.000) 3.597 3.544 ( 0.000 -0.563 0.000) 0.563 3.676 ( 0.000 2.861 0.000) 2.861 3.880 ( 0.000 -11.993 0.000) 11.993 3.930 ( 0.000 2.231 0.000) 2.231 3.965 ( 0.000 1.218 0.000) 1.218 4.044 ( 0.000 -0.536 0.000) 0.536 4.044 ( 0.000 -2.647 0.000) 2.647 4.395 ( 0.000 5.897 0.000) 5.897 4.403 ( 0.000 6.535 0.000) 6.535 4.504 ( 0.000 -5.036 0.000) 5.036 4.531 ( 0.000 -5.572 0.000) 5.572 4.907 ( 0.000 2.218 0.000) 2.218 4.915 ( 0.000 1.606 0.000) 1.606 5.042 ( 0.000 -0.339 0.000) 0.339 5.091 ( 0.000 3.782 0.000) 3.782 5.096 ( 0.000 -5.076 0.000) 5.076 5.133 ( 0.000 0.587 0.000) 0.587 5.234 ( 0.000 3.980 0.000) 3.980 5.324 ( 0.000 -4.499 0.000) 4.499 5.374 ( 0.000 0.278 0.000) 0.278 5.386 ( 0.000 -1.216 0.000) 1.216 5.683 ( 0.000 5.747 0.000) 5.747 5.854 ( 0.000 -9.609 0.000) 9.609 6.147 ( 0.000 1.503 0.000) 1.503 6.171 ( 0.000 -0.883 0.000) 0.883 6.404 ( 0.000 6.715 0.000) 6.715 6.550 ( 0.000 -6.920 0.000) 6.920 6.806 ( 0.000 1.796 0.000) 1.796 6.859 ( 0.000 -3.049 0.000) 3.049 6.954 ( 0.000 6.620 0.000) 6.620 7.091 ( 0.000 -5.533 0.000) 5.533 7.785 ( 0.000 4.529 0.000) 4.529 7.923 ( 0.000 -8.758 0.000) 8.758 8.083 ( 0.000 -0.218 0.000) 0.218 8.083 ( 0.000 -0.217 0.000) 0.217 11.995 ( 0.000 1.311 0.000) 1.311 11.996 ( 0.000 1.215 0.000) 1.215 12.482 ( 0.000 0.375 0.000) 0.375 12.492 ( 0.000 -0.518 0.000) 0.518 12.551 ( 0.000 -0.086 0.000) 0.086 12.556 ( 0.000 -0.529 0.000) 0.529 15.673 ( 0.000 13.080 0.000) 13.080 15.690 ( 0.000 10.740 0.000) 10.740 15.869 ( 0.000 -5.741 0.000) 5.741 15.941 ( 0.000 -13.191 0.000) 13.191 17.960 ( 0.000 1.370 0.000) 1.370 17.982 ( 0.000 -0.665 0.000) 0.665 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 2.258 6.086 0.000) 6.491 0.859 ( -1.901 -3.004 0.000) 3.555 1.465 ( 0.130 9.724 0.000) 9.725 1.540 ( -0.929 0.420 0.000) 1.020 1.746 ( -4.021 8.501 0.000) 9.404 1.752 ( -5.117 5.257 0.000) 7.337 1.795 ( 0.124 12.517 0.000) 12.517 1.924 ( -10.141 5.345 0.000) 11.463 2.129 ( 0.171 -13.727 0.000) 13.729 2.156 ( -1.308 -11.237 0.000) 11.313 2.368 ( 0.477 12.352 0.000) 12.361 2.383 ( 2.246 5.316 0.000) 5.771 2.571 ( 5.333 4.755 0.000) 7.145 2.613 ( 2.363 3.801 0.000) 4.475 2.650 ( 3.338 5.094 0.000) 6.090 2.751 ( 0.431 -9.282 0.000) 9.292 2.777 ( 9.902 -3.664 0.000) 10.558 2.878 ( 0.763 -0.425 0.000) 0.874 2.926 ( 9.132 -8.133 0.000) 12.229 3.004 ( -0.596 -5.308 0.000) 5.341 3.136 ( 2.859 9.687 0.000) 10.100 3.316 ( -9.448 8.406 0.000) 12.647 3.411 ( 0.981 8.052 0.000) 8.112 3.440 ( -1.475 -11.601 0.000) 11.694 3.478 ( -2.689 0.842 0.000) 2.818 3.480 ( -6.120 -4.698 0.000) 7.715 3.726 ( 4.533 9.391 0.000) 10.428 3.863 ( -1.718 -4.618 0.000) 4.927 3.951 ( 1.608 1.650 0.000) 2.304 3.966 ( 0.019 1.973 0.000) 1.973 4.043 ( 0.217 -2.209 0.000) 2.220 4.055 ( 0.759 -4.915 0.000) 4.973 4.385 ( -0.871 5.157 0.000) 5.230 4.388 ( -1.152 5.312 0.000) 5.435 4.505 ( 0.110 -4.127 0.000) 4.128 4.525 ( -0.646 -4.965 0.000) 5.007 4.908 ( 0.129 2.204 0.000) 2.207 4.914 ( -0.112 1.754 0.000) 1.758 5.062 ( 1.856 -1.187 0.000) 2.203 5.069 ( -1.099 1.081 0.000) 1.542 5.102 ( -2.509 0.757 0.000) 2.621 5.110 ( 0.386 -2.723 0.000) 2.751 5.238 ( 0.342 3.404 0.000) 3.422 5.306 ( -2.443 -2.337 0.000) 3.381 5.353 ( -0.941 -1.746 0.000) 1.983 5.363 ( -1.407 -2.158 0.000) 2.576 5.749 ( 5.336 3.693 0.000) 6.489 5.859 ( -0.043 -6.445 0.000) 6.445 6.107 ( -2.593 0.835 0.000) 2.724 6.126 ( -3.382 -0.883 0.000) 3.495 6.497 ( 7.842 6.502 0.000) 10.187 6.614 ( 4.323 -4.281 0.000) 6.084 6.811 ( 0.534 1.818 0.000) 1.895 6.849 ( -1.059 -1.056 0.000) 1.496 6.975 ( 2.291 4.055 0.000) 4.657 7.077 ( -1.548 -4.431 0.000) 4.694 7.768 ( -1.017 1.764 0.000) 2.036 7.874 ( -4.666 -8.170 0.000) 9.409 8.084 ( 0.029 -0.279 0.000) 0.280 8.084 ( 0.037 -0.323 0.000) 0.325 11.994 ( -0.066 1.287 0.000) 1.289 11.995 ( -0.096 1.219 0.000) 1.223 12.488 ( 0.567 0.296 0.000) 0.640 12.495 ( 0.287 -0.343 0.000) 0.447 12.550 ( -0.085 -0.215 0.000) 0.232 12.554 ( -0.213 -0.532 0.000) 0.573 15.479 ( -10.944 5.826 0.000) 12.398 15.501 ( -10.760 4.964 0.000) 11.850 16.092 ( 12.082 -1.495 0.000) 12.174 16.109 ( 10.324 -4.349 0.000) 11.203 17.954 ( -0.459 0.966 0.000) 1.070 17.969 ( -1.137 -0.414 0.000) 1.210 ======================= Grid point 17 (12/60) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -2.777 1.464 0.000) 3.139 0.813 ( 2.777 1.464 0.000) 3.139 1.495 ( -3.157 6.992 0.000) 7.672 1.495 ( 3.157 6.992 0.000) 7.672 1.687 ( -0.253 0.181 0.000) 0.311 1.687 ( 0.253 0.181 0.000) 0.311 1.825 ( -2.538 13.302 0.000) 13.542 1.825 ( 2.538 13.302 0.000) 13.542 2.139 ( -0.703 -12.407 0.000) 12.427 2.139 ( 0.703 -12.407 0.000) 12.427 2.382 ( -0.941 7.513 0.000) 7.571 2.382 ( 0.941 7.513 0.000) 7.571 2.617 ( -1.119 4.255 0.000) 4.399 2.617 ( 1.119 4.255 0.000) 4.399 2.724 ( -3.281 -1.306 0.000) 3.531 2.724 ( 3.281 -1.306 0.000) 3.531 2.893 ( -0.135 -1.945 0.000) 1.950 2.893 ( 0.135 -1.945 0.000) 1.950 3.102 ( -6.039 0.655 0.000) 6.075 3.102 ( 6.039 0.655 0.000) 6.075 3.131 ( -1.690 -0.973 0.000) 1.950 3.131 ( 1.690 -0.973 0.000) 1.950 3.392 ( -0.602 -5.253 0.000) 5.288 3.392 ( 0.602 -5.253 0.000) 5.288 3.439 ( -1.326 3.893 0.000) 4.113 3.439 ( 1.326 3.893 0.000) 4.113 3.811 ( -3.929 5.667 0.000) 6.896 3.811 ( 3.929 5.667 0.000) 6.896 3.967 ( -0.063 1.768 0.000) 1.769 3.967 ( 0.063 1.768 0.000) 1.769 4.056 ( -0.731 -5.064 0.000) 5.116 4.056 ( 0.731 -5.064 0.000) 5.116 4.375 ( -0.079 4.421 0.000) 4.421 4.375 ( 0.079 4.421 0.000) 4.421 4.511 ( -0.609 -4.042 0.000) 4.087 4.511 ( 0.609 -4.042 0.000) 4.087 4.911 ( -0.171 2.035 0.000) 2.042 4.911 ( 0.171 2.035 0.000) 2.042 5.064 ( -0.773 1.140 0.000) 1.377 5.064 ( 0.773 1.140 0.000) 1.377 5.101 ( -1.394 -3.186 0.000) 3.478 5.101 ( 1.394 -3.186 0.000) 3.478 5.256 ( -1.977 1.334 0.000) 2.385 5.256 ( 1.977 1.334 0.000) 2.385 5.349 ( -0.252 -2.873 0.000) 2.884 5.349 ( 0.252 -2.873 0.000) 2.884 5.833 ( -3.033 -0.937 0.000) 3.175 5.833 ( 3.033 -0.937 0.000) 3.175 6.085 ( -0.529 -0.266 0.000) 0.592 6.085 ( 0.529 -0.266 0.000) 0.592 6.624 ( -4.050 2.881 0.000) 4.970 6.624 ( 4.050 2.881 0.000) 4.970 6.826 ( -1.110 1.229 0.000) 1.656 6.826 ( 1.110 1.229 0.000) 1.656 7.032 ( -3.171 -1.018 0.000) 3.330 7.032 ( 3.171 -1.018 0.000) 3.330 7.786 ( -3.460 -4.661 0.000) 5.805 7.786 ( 3.460 -4.661 0.000) 5.805 8.084 ( -0.010 -0.358 0.000) 0.358 8.084 ( 0.010 -0.358 0.000) 0.358 11.994 ( -0.021 1.243 0.000) 1.243 11.994 ( 0.021 1.243 0.000) 1.243 12.497 ( -0.218 0.039 0.000) 0.221 12.497 ( 0.218 0.039 0.000) 0.221 12.550 ( -0.111 -0.455 0.000) 0.468 12.550 ( 0.111 -0.455 0.000) 0.468 15.381 ( -0.943 4.213 0.000) 4.318 15.381 ( 0.943 4.213 0.000) 4.318 16.214 ( -0.269 -1.718 0.000) 1.739 16.214 ( 0.269 -1.718 0.000) 1.739 17.952 ( -0.421 0.203 0.000) 0.467 17.952 ( 0.421 0.203 0.000) 0.467 ======================= Grid point 35 (13/60) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.296 ( 0.000 0.000 14.927) 14.927 0.385 ( 0.000 0.000 18.219) 18.219 0.867 ( 0.000 0.000 35.201) 35.201 1.156 ( 0.000 0.000 11.338) 11.338 1.381 ( 0.000 0.000 28.950) 28.950 1.390 ( 0.000 0.000 21.811) 21.811 1.392 ( 0.000 0.000 -11.891) 11.891 1.443 ( 0.000 0.000 5.996) 5.996 1.598 ( 0.000 0.000 3.134) 3.134 2.121 ( 0.000 0.000 0.541) 0.541 2.296 ( 0.000 0.000 6.096) 6.096 2.383 ( 0.000 0.000 -18.552) 18.552 2.431 ( 0.000 0.000 1.185) 1.185 2.788 ( 0.000 0.000 3.755) 3.755 2.819 ( 0.000 0.000 -11.881) 11.881 2.863 ( 0.000 0.000 2.683) 2.683 2.900 ( 0.000 0.000 5.176) 5.176 3.000 ( 0.000 0.000 -5.530) 5.530 3.000 ( 0.000 0.000 -5.694) 5.694 3.079 ( 0.000 0.000 11.989) 11.989 3.117 ( 0.000 0.000 -2.796) 2.796 3.235 ( 0.000 0.000 -1.513) 1.513 3.347 ( 0.000 0.000 -8.741) 8.741 3.386 ( 0.000 0.000 5.646) 5.646 3.463 ( 0.000 0.000 2.692) 2.692 3.696 ( 0.000 0.000 -0.831) 0.831 3.803 ( 0.000 0.000 14.645) 14.645 3.835 ( 0.000 0.000 12.811) 12.811 3.957 ( 0.000 0.000 30.582) 30.582 4.078 ( 0.000 0.000 7.466) 7.466 4.201 ( 0.000 0.000 -2.172) 2.172 4.266 ( 0.000 0.000 0.626) 0.626 4.292 ( 0.000 0.000 1.319) 1.319 4.568 ( 0.000 0.000 -13.534) 13.534 4.657 ( 0.000 0.000 4.299) 4.299 4.682 ( 0.000 0.000 5.092) 5.092 4.713 ( 0.000 0.000 -4.069) 4.069 4.830 ( 0.000 0.000 10.839) 10.839 4.833 ( 0.000 0.000 1.234) 1.234 4.938 ( 0.000 0.000 -0.421) 0.421 5.048 ( 0.000 0.000 -3.299) 3.299 5.156 ( 0.000 0.000 -6.260) 6.260 5.275 ( 0.000 0.000 -6.790) 6.790 5.382 ( 0.000 0.000 -4.439) 4.439 5.532 ( 0.000 0.000 8.572) 8.572 5.560 ( 0.000 0.000 -3.045) 3.045 5.592 ( 0.000 0.000 2.928) 2.928 5.611 ( 0.000 0.000 -0.894) 0.894 6.054 ( 0.000 0.000 -2.048) 2.048 6.182 ( 0.000 0.000 2.450) 2.450 6.220 ( 0.000 0.000 -5.834) 5.834 6.369 ( 0.000 0.000 1.197) 1.197 6.790 ( 0.000 0.000 -2.847) 2.847 6.844 ( 0.000 0.000 1.829) 1.829 6.864 ( 0.000 0.000 -2.140) 2.140 6.992 ( 0.000 0.000 0.555) 0.555 7.175 ( 0.000 0.000 -0.621) 0.621 8.002 ( 0.000 0.000 -10.084) 10.084 8.006 ( 0.000 0.000 -9.956) 9.956 8.174 ( 0.000 0.000 -24.880) 24.880 11.930 ( 0.000 0.000 6.311) 6.311 11.936 ( 0.000 0.000 6.293) 6.293 12.514 ( 0.000 0.000 3.825) 3.825 12.546 ( 0.000 0.000 3.391) 3.391 13.231 ( 0.000 0.000 55.133) 55.133 14.521 ( 0.000 0.000 -1.310) 1.310 14.718 ( 0.000 0.000 -4.080) 4.080 15.251 ( 0.000 0.000 -3.526) 3.526 16.115 ( 0.000 0.000 -5.477) 5.477 16.843 ( 0.000 0.000 -5.070) 5.070 17.805 ( 0.000 0.000 -8.102) 8.102 17.925 ( 0.000 0.000 -4.879) 4.879 ======================= Grid point 36 (14/60) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 19.830 0.000 5.310) 20.528 0.717 ( 18.526 0.000 15.190) 23.957 1.042 ( 20.491 0.000 17.964) 27.251 1.093 ( -5.847 0.000 13.986) 15.159 1.206 ( -13.321 0.000 -4.254) 13.984 1.353 ( -1.890 0.000 27.318) 27.383 1.373 ( 0.813 0.000 27.474) 27.486 1.549 ( 4.932 0.000 0.760) 4.990 1.615 ( 1.152 0.000 3.400) 3.590 2.156 ( 3.625 0.000 -2.170) 4.225 2.213 ( -20.192 0.000 -10.764) 22.882 2.285 ( -1.345 0.000 2.720) 3.034 2.439 ( 1.387 0.000 5.062) 5.249 2.691 ( -10.597 0.000 5.825) 12.092 2.762 ( -3.407 0.000 -6.193) 7.069 2.826 ( 0.820 0.000 1.682) 1.871 2.857 ( -3.540 0.000 -12.794) 13.275 2.897 ( -1.566 0.000 3.561) 3.890 3.096 ( 1.605 0.000 4.712) 4.977 3.130 ( 2.494 0.000 -0.148) 2.498 3.157 ( 4.086 0.000 -4.457) 6.047 3.283 ( 2.811 0.000 -2.307) 3.636 3.347 ( -0.639 0.000 -5.702) 5.738 3.351 ( -3.753 0.000 5.184) 6.401 3.522 ( 6.693 0.000 2.814) 7.260 3.795 ( -4.386 0.000 10.816) 11.671 3.809 ( 9.873 0.000 -3.020) 10.325 3.829 ( 2.606 0.000 15.970) 16.181 3.935 ( -1.973 0.000 27.792) 27.862 4.099 ( -0.082 0.000 4.327) 4.327 4.173 ( -1.045 0.000 2.719) 2.913 4.274 ( 0.740 0.000 2.027) 2.158 4.285 ( -1.155 0.000 1.207) 1.671 4.430 ( -14.329 0.000 21.754) 26.049 4.581 ( 1.676 0.000 -11.108) 11.233 4.679 ( 0.145 0.000 5.389) 5.391 4.686 ( -2.452 0.000 -4.911) 5.489 4.695 ( -0.709 0.000 7.004) 7.039 4.901 ( 6.054 0.000 -1.149) 6.163 5.051 ( 2.109 0.000 -4.080) 4.593 5.099 ( 1.804 0.000 -3.938) 4.332 5.115 ( -3.925 0.000 -6.355) 7.470 5.299 ( 2.442 0.000 -5.084) 5.640 5.408 ( 1.165 0.000 -3.400) 3.594 5.490 ( -2.137 0.000 5.928) 6.301 5.565 ( -1.502 0.000 0.139) 1.509 5.584 ( 0.367 0.000 1.054) 1.116 5.608 ( -0.438 0.000 -0.519) 0.679 6.074 ( 2.105 0.000 -2.461) 3.238 6.190 ( -2.748 0.000 -5.164) 5.850 6.207 ( 2.578 0.000 2.200) 3.390 6.338 ( -3.022 0.000 1.312) 3.294 6.763 ( -0.047 0.000 -2.618) 2.619 6.789 ( -0.695 0.000 -2.482) 2.577 7.023 ( 3.023 0.000 0.403) 3.050 7.151 ( -2.448 0.000 -0.432) 2.485 7.475 ( 35.020 0.000 -31.115) 46.846 8.003 ( 0.058 0.000 -10.064) 10.064 8.006 ( -0.052 0.000 -9.974) 9.974 8.122 ( -5.755 0.000 -26.547) 27.164 11.931 ( 0.114 0.000 6.198) 6.199 11.937 ( -0.016 0.000 6.417) 6.417 12.518 ( 0.464 0.000 3.770) 3.798 12.541 ( -0.500 0.000 3.465) 3.500 13.312 ( 9.086 0.000 59.336) 60.028 14.340 ( -56.486 0.000 68.922) 89.112 14.550 ( 2.942 0.000 -1.727) 3.411 14.689 ( -2.894 0.000 -3.684) 4.685 16.328 ( 10.851 0.000 -20.016) 22.768 16.660 ( -11.036 0.000 -7.908) 13.577 17.822 ( 1.766 0.000 -7.631) 7.833 17.908 ( -1.812 0.000 -5.352) 5.651 ======================= Grid point 37 (15/60) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -17.950 0.000 -0.982) 17.977 0.913 ( 17.950 0.000 -0.982) 17.977 0.951 ( -9.276 0.000 18.561) 20.750 0.951 ( 9.276 0.000 18.561) 20.750 1.300 ( -3.729 0.000 19.148) 19.508 1.300 ( 3.729 0.000 19.148) 19.508 1.613 ( -1.767 0.000 2.895) 3.392 1.613 ( 1.767 0.000 2.895) 3.392 1.696 ( -30.810 0.000 7.614) 31.737 1.696 ( 30.810 0.000 7.614) 31.737 2.236 ( -3.967 0.000 -3.630) 5.377 2.236 ( 3.967 0.000 -3.630) 5.377 2.511 ( -7.024 0.000 8.843) 11.293 2.511 ( 7.024 0.000 8.843) 11.293 2.784 ( -3.912 0.000 -10.781) 11.469 2.784 ( 3.912 0.000 -10.781) 11.469 2.858 ( -2.201 0.000 2.001) 2.975 2.858 ( 2.201 0.000 2.001) 2.975 3.126 ( -1.339 0.000 -1.526) 2.030 3.126 ( 1.339 0.000 -1.526) 2.030 3.258 ( -5.657 0.000 3.640) 6.727 3.258 ( 5.657 0.000 3.640) 6.727 3.322 ( -1.673 0.000 -3.792) 4.144 3.322 ( 1.673 0.000 -3.792) 4.144 3.674 ( -8.154 0.000 6.507) 10.433 3.674 ( 8.154 0.000 6.507) 10.433 3.882 ( -2.789 0.000 19.207) 19.409 3.882 ( 2.789 0.000 19.207) 19.409 4.002 ( -8.582 0.000 -1.405) 8.696 4.002 ( 8.582 0.000 -1.405) 8.696 4.223 ( -4.559 0.000 10.833) 11.754 4.223 ( 4.559 0.000 10.833) 11.754 4.300 ( -2.257 0.000 6.560) 6.937 4.300 ( 2.257 0.000 6.560) 6.937 4.630 ( -3.233 0.000 -7.548) 8.211 4.630 ( 3.233 0.000 -7.548) 8.211 4.685 ( -0.485 0.000 5.783) 5.804 4.685 ( 0.485 0.000 5.783) 5.804 5.020 ( -6.044 0.000 -4.662) 7.633 5.020 ( 6.044 0.000 -4.662) 7.633 5.090 ( -1.809 0.000 -3.503) 3.942 5.090 ( 1.809 0.000 -3.503) 3.942 5.363 ( -4.159 0.000 -1.206) 4.331 5.363 ( 4.159 0.000 -1.206) 4.331 5.515 ( -3.165 0.000 1.602) 3.547 5.515 ( 3.165 0.000 1.602) 3.547 5.597 ( -0.693 0.000 -0.446) 0.824 5.597 ( 0.693 0.000 -0.446) 0.824 6.129 ( -3.449 0.000 -3.671) 5.037 6.129 ( 3.449 0.000 -3.671) 5.037 6.270 ( -3.853 0.000 1.689) 4.207 6.270 ( 3.853 0.000 1.689) 4.207 6.774 ( -0.854 0.000 -2.912) 3.035 6.774 ( 0.854 0.000 -2.912) 3.035 7.091 ( -3.775 0.000 0.003) 3.775 7.091 ( 3.775 0.000 0.003) 3.775 7.935 ( -15.520 0.000 -31.664) 35.263 7.935 ( 15.520 0.000 -31.664) 35.263 8.004 ( -0.078 0.000 -10.018) 10.019 8.004 ( 0.078 0.000 -10.018) 10.019 11.935 ( -0.237 0.000 6.309) 6.314 11.935 ( 0.237 0.000 6.309) 6.314 12.530 ( -0.682 0.000 3.626) 3.689 12.530 ( 0.682 0.000 3.626) 3.689 13.607 ( -24.409 0.000 70.870) 74.956 13.607 ( 24.409 0.000 70.870) 74.956 14.620 ( -4.125 0.000 -2.716) 4.939 14.620 ( 4.125 0.000 -2.716) 4.939 16.492 ( -7.904 0.000 -16.240) 18.061 16.492 ( 7.904 0.000 -16.240) 18.061 17.865 ( -2.531 0.000 -6.493) 6.968 17.865 ( 2.531 0.000 -6.493) 6.968 ======================= Grid point 40 (16/60) ======================= q-point: ( 0.00 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 0.000 21.953 9.374) 23.870 0.847 ( 0.000 18.780 19.557) 27.114 0.941 ( 0.000 17.923 17.357) 24.950 1.211 ( 0.000 7.566 7.904) 10.941 1.325 ( 0.000 -2.961 22.037) 22.235 1.440 ( 0.000 8.286 16.984) 18.897 1.532 ( 0.000 7.781 9.387) 12.192 1.552 ( 0.000 11.975 -5.140) 13.031 1.820 ( 0.000 15.697 2.068) 15.833 2.035 ( 0.000 -7.109 0.377) 7.119 2.331 ( 0.000 2.927 5.719) 6.425 2.399 ( 0.000 -0.432 -9.840) 9.850 2.466 ( 0.000 3.459 -2.865) 4.491 2.636 ( 0.000 -10.124 0.873) 10.161 2.747 ( 0.000 -4.538 -2.470) 5.167 2.811 ( 0.000 -6.696 4.041) 7.821 2.909 ( 0.000 4.851 -9.763) 10.902 3.000 ( 0.000 -0.799 -3.152) 3.252 3.003 ( 0.000 -1.626 -2.253) 2.778 3.100 ( 0.000 -1.677 -3.925) 4.269 3.229 ( 0.000 9.298 10.467) 14.000 3.245 ( 0.000 -0.011 -1.859) 1.859 3.279 ( 0.000 -4.666 -2.916) 5.502 3.383 ( 0.000 -2.771 4.726) 5.478 3.518 ( 0.000 8.645 6.900) 11.061 3.574 ( 0.000 -14.085 10.565) 17.607 3.735 ( 0.000 2.625 2.459) 3.597 3.944 ( 0.000 4.024 16.316) 16.805 4.012 ( 0.000 4.530 25.386) 25.787 4.131 ( 0.000 3.502 3.491) 4.945 4.183 ( 0.000 -1.771 -1.516) 2.332 4.186 ( 0.000 -7.834 0.376) 7.843 4.245 ( 0.000 -1.088 4.223) 4.361 4.426 ( 0.000 -7.673 20.579) 21.963 4.564 ( 0.000 -0.311 -12.911) 12.914 4.721 ( 0.000 2.083 3.187) 3.807 4.737 ( 0.000 4.899 4.939) 6.957 4.802 ( 0.000 -2.218 2.171) 3.103 4.833 ( 0.000 7.191 -4.023) 8.240 4.905 ( 0.000 -2.920 -2.540) 3.870 5.048 ( 0.000 1.152 -2.523) 2.773 5.168 ( 0.000 0.918 -4.201) 4.300 5.275 ( 0.000 0.132 -4.325) 4.327 5.385 ( 0.000 -0.399 -4.439) 4.457 5.517 ( 0.000 -1.367 9.117) 9.219 5.552 ( 0.000 -3.523 2.514) 4.328 5.622 ( 0.000 0.294 -1.228) 1.262 6.001 ( 0.000 7.244 -13.235) 15.087 6.057 ( 0.000 0.701 -1.844) 1.973 6.177 ( 0.000 -1.764 -3.844) 4.229 6.224 ( 0.000 2.415 1.725) 2.968 6.648 ( 0.000 12.991 -12.585) 18.087 6.790 ( 0.000 0.314 -2.543) 2.563 6.807 ( 0.000 -3.358 1.934) 3.875 6.976 ( 0.000 -1.547 0.527) 1.634 7.007 ( 0.000 16.970 -17.802) 24.595 7.173 ( 0.000 -0.340 -1.069) 1.122 7.998 ( 0.000 -0.394 -10.117) 10.125 8.001 ( 0.000 -0.452 -9.996) 10.006 8.096 ( 0.000 -7.031 -23.057) 24.105 11.956 ( 0.000 2.257 6.320) 6.711 11.960 ( 0.000 2.120 6.280) 6.628 12.519 ( 0.000 0.411 3.996) 4.017 12.546 ( 0.000 -0.068 3.518) 3.518 13.192 ( 0.000 -2.999 53.095) 53.179 13.955 ( 0.000 -36.635 56.620) 67.438 14.890 ( 0.000 14.700 -4.965) 15.516 15.303 ( 0.000 4.826 -3.634) 6.041 15.879 ( 0.000 -9.857 -2.348) 10.133 16.497 ( 0.000 -16.578 -4.298) 17.126 17.813 ( 0.000 0.785 -8.399) 8.435 17.926 ( 0.000 -0.191 -5.527) 5.531 ======================= Grid point 41 (17/60) ======================= q-point: ( 0.25 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 8.224 16.386 8.713) 20.299 0.932 ( 7.302 8.591 24.780) 27.225 1.120 ( -5.626 4.071 12.917) 14.666 1.173 ( 13.704 14.604 2.772) 20.217 1.362 ( 2.015 2.620 19.479) 19.758 1.378 ( -5.488 12.782 4.364) 14.579 1.483 ( 1.243 11.685 17.256) 20.878 1.626 ( 3.832 6.378 1.107) 7.523 1.762 ( -3.895 9.262 3.256) 10.562 2.126 ( -8.900 -2.855 -5.198) 10.695 2.152 ( 0.573 1.060 -3.131) 3.355 2.403 ( -1.474 6.009 4.167) 7.460 2.444 ( -0.167 0.728 4.616) 4.676 2.649 ( -1.584 -2.777 -1.681) 3.612 2.719 ( -1.690 -5.133 -1.567) 5.627 2.798 ( -2.312 -6.678 3.315) 7.806 2.839 ( -5.075 3.715 -4.852) 7.943 2.920 ( -1.546 5.051 -12.779) 13.828 3.085 ( 0.806 -3.359 -0.881) 3.565 3.136 ( 3.316 -2.448 -3.434) 5.365 3.219 ( 1.691 2.302 3.536) 4.545 3.284 ( 0.760 -1.629 -0.505) 1.867 3.293 ( 2.149 2.771 2.058) 4.066 3.455 ( 6.205 -2.096 5.605) 8.620 3.467 ( -4.480 5.689 7.482) 10.413 3.590 ( 0.608 -10.662 10.431) 14.928 3.785 ( 5.595 -3.098 0.206) 6.399 3.954 ( 0.947 5.316 16.006) 16.893 3.998 ( -1.495 3.476 22.123) 22.445 4.082 ( -5.280 -1.234 0.933) 5.502 4.185 ( 1.083 -1.814 0.795) 2.257 4.196 ( 0.626 -3.234 0.079) 3.295 4.246 ( -0.052 -0.757 5.790) 5.840 4.345 ( -5.963 -2.607 18.054) 19.191 4.591 ( 2.354 0.345 -9.476) 9.770 4.692 ( -2.368 0.703 0.216) 2.480 4.744 ( 0.222 4.839 5.288) 7.172 4.766 ( -1.399 4.065 2.524) 4.985 4.914 ( 5.078 -0.506 -5.129) 7.235 4.949 ( 2.875 -5.420 -3.483) 7.055 5.057 ( 1.058 1.531 -2.336) 2.987 5.144 ( -2.233 1.998 -4.651) 5.533 5.300 ( 2.583 -0.027 -2.475) 3.577 5.399 ( 0.458 -0.989 -3.215) 3.394 5.494 ( -1.354 -1.578 8.324) 8.579 5.542 ( -1.247 -2.543 3.340) 4.379 5.643 ( 2.429 2.406 -2.396) 4.175 5.873 ( -9.850 11.314 -8.667) 17.325 6.070 ( 1.456 -0.013 -1.934) 2.421 6.160 ( -2.106 -2.148 -4.072) 5.062 6.250 ( 3.189 3.891 2.064) 5.438 6.471 ( -9.230 11.141 -1.554) 14.551 6.762 ( -0.026 -0.044 -2.222) 2.222 6.787 ( -0.819 0.053 -2.264) 2.408 6.998 ( 3.799 -2.119 0.279) 4.359 7.147 ( -2.617 -0.533 -0.881) 2.813 7.475 ( 26.954 0.084 -28.002) 38.867 7.995 ( -1.066 -1.449 -11.375) 11.516 7.999 ( 0.148 -0.347 -10.166) 10.173 8.048 ( -4.835 -6.130 -22.787) 24.087 11.956 ( 0.077 2.241 6.226) 6.618 11.961 ( -0.014 2.106 6.390) 6.728 12.522 ( 0.369 0.331 3.909) 3.940 12.541 ( -0.429 -0.006 3.581) 3.606 13.255 ( 6.787 -4.424 56.351) 56.931 13.776 ( -17.231 -27.218 66.692) 74.065 14.866 ( -2.210 14.698 -4.229) 15.453 14.961 ( -15.995 17.714 1.980) 23.949 16.156 ( 15.008 -11.516 -14.936) 24.102 16.458 ( -3.872 -13.304 -8.493) 16.251 17.828 ( 1.473 0.515 -7.971) 8.122 17.906 ( -1.882 -0.198 -5.923) 6.218 ======================= Grid point 42 (18/60) ======================= q-point: (-0.50 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -10.433 5.849 10.761) 16.089 0.932 ( 10.433 5.849 10.761) 16.089 1.134 ( -10.590 9.684 12.652) 19.131 1.134 ( 10.590 9.684 12.652) 19.131 1.381 ( -0.990 7.576 15.508) 17.288 1.381 ( 0.990 7.576 15.508) 17.288 1.659 ( -6.308 5.518 4.412) 9.471 1.659 ( 6.308 5.518 4.412) 9.471 1.770 ( -14.876 5.912 -2.288) 16.170 1.770 ( 14.876 5.912 -2.288) 16.170 2.334 ( -7.567 8.063 0.037) 11.058 2.334 ( 7.567 8.063 0.037) 11.058 2.495 ( -7.558 -0.205 6.155) 9.749 2.495 ( 7.558 -0.205 6.155) 9.749 2.748 ( -2.976 -7.181 0.565) 7.794 2.748 ( 2.976 -7.181 0.565) 7.794 2.855 ( -4.078 4.926 -10.957) 12.687 2.855 ( 4.078 4.926 -10.957) 12.687 3.123 ( -2.590 -2.122 -1.253) 3.575 3.123 ( 2.590 -2.122 -1.253) 3.575 3.274 ( -1.859 -2.615 -1.100) 3.392 3.274 ( 1.859 -2.615 -1.100) 3.392 3.363 ( -5.656 6.920 6.844) 11.257 3.363 ( 5.656 6.920 6.844) 11.257 3.563 ( -3.957 -6.660 8.624) 11.592 3.563 ( 3.957 -6.660 8.624) 11.592 3.925 ( -7.619 -5.667 -0.593) 9.514 3.925 ( 7.619 -5.667 -0.593) 9.514 3.984 ( -2.442 5.195 17.028) 17.970 3.984 ( 2.442 5.195 17.028) 17.970 4.205 ( -0.226 -2.716 -2.377) 3.616 4.205 ( 0.226 -2.716 -2.377) 3.616 4.259 ( -2.580 0.374 14.840) 15.067 4.259 ( 2.580 0.374 14.840) 15.067 4.642 ( -2.844 0.389 -4.595) 5.418 4.642 ( 2.844 0.389 -4.595) 5.418 4.749 ( -0.498 5.042 4.359) 6.684 4.749 ( 0.498 5.042 4.359) 6.684 4.973 ( -0.792 -5.709 -5.587) 8.028 4.973 ( 0.792 -5.709 -5.587) 8.028 5.094 ( -2.792 3.298 -3.607) 5.629 5.094 ( 2.792 3.298 -3.607) 5.629 5.362 ( -3.622 -0.874 -0.022) 3.726 5.362 ( 3.622 -0.874 -0.022) 3.726 5.507 ( -2.135 -1.749 4.373) 5.171 5.507 ( 2.135 -1.749 4.373) 5.171 5.721 ( -6.061 8.008 -4.468) 10.992 5.721 ( 6.061 8.008 -4.468) 10.992 6.111 ( -2.704 -1.328 -2.676) 4.029 6.111 ( 2.704 -1.328 -2.676) 4.029 6.337 ( -5.809 6.342 0.945) 8.652 6.337 ( 5.809 6.342 0.945) 8.652 6.771 ( -0.775 -0.101 -2.541) 2.659 6.771 ( 0.775 -0.101 -2.541) 2.659 7.079 ( -4.343 -1.042 -0.273) 4.475 7.079 ( 4.343 -1.042 -0.273) 4.475 7.856 ( -13.944 -6.526 -26.747) 30.862 7.856 ( 13.944 -6.526 -26.747) 30.862 8.004 ( -0.416 -0.316 -10.667) 10.680 8.004 ( 0.416 -0.316 -10.667) 10.680 11.959 ( -0.178 2.153 6.316) 6.675 11.959 ( 0.178 2.153 6.316) 6.675 12.531 ( -0.564 0.154 3.733) 3.779 12.531 ( 0.564 0.154 3.733) 3.779 13.453 ( -14.609 -10.773 64.662) 67.162 13.453 ( 14.609 -10.773 64.662) 67.162 14.836 ( -0.382 16.064 -2.211) 16.220 14.836 ( 0.382 16.064 -2.211) 16.220 16.356 ( -7.383 -10.406 -14.478) 19.298 16.356 ( 7.383 -10.406 -14.478) 19.298 17.865 ( -2.307 -0.004 -6.911) 7.286 17.865 ( 2.307 -0.004 -6.911) 7.286 ======================= Grid point 45 (19/60) ======================= q-point: ( 0.00 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 0.000 4.171 29.454) 29.748 1.157 ( 0.000 20.562 4.002) 20.948 1.254 ( 0.000 -3.700 23.097) 23.391 1.400 ( 0.000 13.216 3.384) 13.642 1.499 ( 0.000 15.244 5.046) 16.057 1.653 ( 0.000 10.669 7.207) 12.875 1.844 ( 0.000 11.327 -5.410) 12.552 1.848 ( 0.000 22.825 3.462) 23.086 1.889 ( 0.000 -1.851 0.128) 1.856 2.180 ( 0.000 15.855 0.834) 15.877 2.335 ( 0.000 -3.018 -0.547) 3.067 2.374 ( 0.000 -0.833 3.741) 3.833 2.404 ( 0.000 -11.566 0.984) 11.608 2.535 ( 0.000 2.470 -0.297) 2.488 2.676 ( 0.000 -4.044 4.797) 6.274 2.779 ( 0.000 4.235 -10.939) 11.730 2.897 ( 0.000 -8.242 1.357) 8.353 2.923 ( 0.000 -5.061 -1.456) 5.266 2.969 ( 0.000 -0.426 -2.699) 2.732 3.116 ( 0.000 3.787 -13.825) 14.334 3.119 ( 0.000 -7.343 -0.670) 7.374 3.168 ( 0.000 -6.124 -3.367) 6.988 3.283 ( 0.000 -10.904 11.625) 15.939 3.427 ( 0.000 6.561 6.918) 9.534 3.488 ( 0.000 12.494 13.152) 18.141 3.703 ( 0.000 5.170 7.497) 9.107 3.765 ( 0.000 0.829 7.527) 7.572 3.971 ( 0.000 -1.464 7.518) 7.659 4.045 ( 0.000 -5.909 3.290) 6.763 4.089 ( 0.000 -0.401 5.870) 5.884 4.150 ( 0.000 1.300 13.823) 13.884 4.186 ( 0.000 2.322 4.312) 4.898 4.299 ( 0.000 5.118 4.508) 6.820 4.384 ( 0.000 1.323 13.508) 13.572 4.557 ( 0.000 -0.242 -10.195) 10.198 4.639 ( 0.000 -6.688 0.699) 6.725 4.814 ( 0.000 -4.837 -4.933) 6.908 4.847 ( 0.000 3.149 -0.156) 3.153 4.868 ( 0.000 5.204 2.356) 5.713 4.932 ( 0.000 2.258 -6.141) 6.542 5.110 ( 0.000 4.088 -2.165) 4.626 5.195 ( 0.000 1.855 -0.776) 2.011 5.305 ( 0.000 3.091 2.932) 4.260 5.358 ( 0.000 -2.262 -4.032) 4.624 5.454 ( 0.000 -5.409 2.242) 5.855 5.483 ( 0.000 -1.614 8.990) 9.134 5.615 ( 0.000 -0.216 -0.876) 0.902 5.982 ( 0.000 -6.073 -6.227) 8.698 6.091 ( 0.000 2.205 -1.606) 2.728 6.157 ( 0.000 0.054 -2.821) 2.821 6.307 ( 0.000 5.117 2.768) 5.818 6.709 ( 0.000 -5.702 2.178) 6.104 6.752 ( 0.000 1.825 -3.203) 3.686 6.827 ( 0.000 3.602 -1.848) 4.048 6.927 ( 0.000 -3.016 0.327) 3.034 7.151 ( 0.000 -2.071 -1.725) 2.695 7.348 ( 0.000 11.813 -24.802) 27.472 7.906 ( 0.000 -10.137 -19.804) 22.248 7.988 ( 0.000 -0.497 -10.192) 10.204 7.989 ( 0.000 -0.565 -10.093) 10.109 12.014 ( 0.000 2.935 6.419) 7.058 12.016 ( 0.000 2.819 6.325) 6.925 12.528 ( 0.000 0.424 4.352) 4.372 12.543 ( 0.000 -0.142 3.836) 3.839 13.133 ( 0.000 -2.115 50.421) 50.465 13.402 ( 0.000 -16.459 62.728) 64.852 15.249 ( 0.000 17.587 -7.301) 19.042 15.442 ( 0.000 7.962 -4.253) 9.027 15.786 ( 0.000 -1.708 -11.886) 12.008 16.175 ( 0.000 -14.646 -6.350) 15.964 17.836 ( 0.000 1.311 -8.990) 9.085 17.916 ( 0.000 -0.757 -7.075) 7.116 ======================= Grid point 46 (20/60) ======================= q-point: ( 0.25 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 3.118 5.112 27.000) 27.656 1.163 ( -0.590 12.175 9.806) 15.644 1.190 ( -1.482 6.046 15.690) 16.880 1.454 ( 1.071 9.189 4.178) 10.151 1.498 ( 0.635 10.856 9.194) 14.240 1.656 ( -1.864 10.696 7.507) 13.200 1.791 ( -3.101 7.367 0.778) 8.031 1.831 ( -3.576 4.212 2.918) 6.248 1.872 ( 2.578 18.296 -3.068) 18.730 2.127 ( -9.043 3.459 -6.499) 11.661 2.335 ( 9.593 13.341 -1.536) 16.504 2.419 ( 1.672 -6.473 3.989) 7.785 2.450 ( 1.804 -1.869 6.619) 7.110 2.559 ( 2.016 -0.191 0.094) 2.028 2.648 ( -2.742 -4.215 3.578) 6.172 2.752 ( -3.350 2.617 -6.562) 7.819 2.928 ( 0.113 4.202 -8.068) 9.097 2.971 ( 5.649 -3.669 -0.310) 6.743 3.013 ( 0.745 -3.593 -1.607) 4.006 3.079 ( 0.636 0.361 -8.092) 8.125 3.132 ( 1.750 -7.256 -3.956) 8.448 3.182 ( 0.706 -5.564 -2.479) 6.132 3.301 ( 1.708 -9.214 9.599) 13.415 3.371 ( -2.259 2.353 9.411) 9.960 3.599 ( 5.783 12.849 9.070) 16.758 3.667 ( -1.834 0.197 6.605) 6.857 3.695 ( -5.229 1.705 9.788) 11.227 3.944 ( -6.594 -4.832 7.074) 10.811 4.025 ( 2.326 -1.178 1.743) 3.136 4.116 ( 1.316 -1.727 0.978) 2.381 4.131 ( -0.953 4.327 19.249) 19.752 4.199 ( 0.029 1.308 3.991) 4.200 4.304 ( 0.560 4.849 6.184) 7.878 4.351 ( -2.398 2.730 11.139) 11.717 4.579 ( 1.668 -1.403 -6.169) 6.543 4.628 ( -0.960 -5.631 0.376) 5.725 4.826 ( 1.160 -4.494 -4.886) 6.739 4.849 ( 0.110 2.003 0.114) 2.009 4.873 ( 0.524 4.921 1.035) 5.056 4.920 ( -1.250 1.469 -6.211) 6.503 5.126 ( 1.702 3.863 -2.565) 4.940 5.187 ( -0.791 2.222 -1.878) 3.015 5.300 ( 0.106 0.213 2.593) 2.604 5.361 ( -0.537 -2.667 -2.629) 3.783 5.432 ( -0.834 -4.112 4.535) 6.178 5.482 ( -0.993 -2.983 7.341) 7.986 5.679 ( 6.306 1.476 -2.199) 6.840 5.932 ( -5.006 -3.146 -5.426) 8.025 6.082 ( -0.402 0.960 -1.040) 1.472 6.130 ( -2.369 -0.447 -1.877) 3.055 6.366 ( 5.881 6.640 1.488) 8.994 6.651 ( -6.306 3.708 -0.202) 7.318 6.762 ( 0.726 0.336 -2.133) 2.278 6.810 ( -2.008 2.357 -1.880) 3.622 6.952 ( 4.246 -1.792 -0.200) 4.613 7.122 ( -2.767 -2.059 -1.876) 3.926 7.485 ( 11.471 1.100 -22.212) 25.023 7.850 ( -5.762 -9.734 -19.712) 22.727 7.989 ( 0.140 -0.542 -10.224) 10.240 7.992 ( 0.125 -0.795 -10.345) 10.376 12.014 ( 0.007 2.912 6.364) 6.999 12.016 ( -0.021 2.794 6.418) 7.000 12.530 ( 0.194 0.349 4.215) 4.234 12.541 ( -0.256 -0.048 3.870) 3.879 13.167 ( 3.543 -3.276 52.359) 52.581 13.357 ( -4.439 -13.140 61.480) 63.025 15.205 ( -3.851 15.380 -5.820) 16.890 15.255 ( -10.531 10.792 -3.266) 15.429 15.990 ( 12.837 -4.115 -13.708) 19.226 16.189 ( 0.643 -11.580 -8.986) 14.671 17.843 ( 0.716 0.850 -8.648) 8.719 17.898 ( -1.685 -0.597 -7.264) 7.481 ======================= Grid point 47 (21/60) ======================= q-point: (-0.50 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -4.982 4.968 21.517) 22.638 1.071 ( 4.982 4.968 21.517) 22.638 1.323 ( -10.364 9.591 6.289) 15.458 1.323 ( 10.364 9.591 6.289) 15.458 1.577 ( -4.940 9.721 8.969) 14.119 1.577 ( 4.940 9.721 8.969) 14.119 1.780 ( -1.355 4.175 5.861) 7.323 1.780 ( 1.355 4.175 5.861) 7.323 1.973 ( -7.256 13.124 -9.605) 17.809 1.973 ( 7.256 13.124 -9.605) 17.809 2.433 ( -1.433 -1.443 6.511) 6.821 2.433 ( 1.433 -1.443 6.511) 6.821 2.552 ( -6.440 1.375 -0.686) 6.621 2.552 ( 6.440 1.375 -0.686) 6.621 2.643 ( -5.741 2.963 -1.635) 6.664 2.643 ( 5.741 2.963 -1.635) 6.664 2.960 ( -3.366 3.002 -8.426) 9.557 2.960 ( 3.366 3.002 -8.426) 9.557 3.067 ( -3.160 -2.209 -2.295) 4.487 3.067 ( 3.160 -2.209 -2.295) 4.487 3.189 ( -0.731 -4.687 -1.081) 4.865 3.189 ( 0.731 -4.687 -1.081) 4.865 3.336 ( -1.934 -6.107 8.433) 10.591 3.336 ( 1.934 -6.107 8.433) 10.591 3.609 ( -2.344 4.447 7.921) 9.381 3.609 ( 2.344 4.447 7.921) 9.381 3.788 ( -8.990 -1.665 6.454) 11.192 3.788 ( 8.990 -1.665 6.454) 11.192 4.080 ( -2.890 0.882 6.532) 7.197 4.080 ( 2.890 0.882 6.532) 7.197 4.170 ( -2.657 1.499 7.568) 8.160 4.170 ( 2.657 1.499 7.568) 8.160 4.319 ( -1.066 4.250 8.318) 9.401 4.319 ( 1.066 4.250 8.318) 9.401 4.607 ( -1.289 -3.608 -1.673) 4.180 4.607 ( 1.289 -3.608 -1.673) 4.180 4.845 ( -0.636 -1.196 -1.507) 2.026 4.845 ( 0.636 -1.196 -1.507) 2.026 4.892 ( -1.490 2.467 -3.902) 4.851 4.892 ( 1.490 2.467 -3.902) 4.851 5.163 ( -1.819 3.154 -2.977) 4.703 5.163 ( 1.819 3.154 -2.977) 4.703 5.324 ( -2.385 -2.586 1.440) 3.801 5.324 ( 2.385 -2.586 1.440) 3.801 5.450 ( -1.984 -3.599 4.944) 6.429 5.450 ( 1.984 -3.599 4.944) 6.429 5.813 ( -7.251 1.031 -3.732) 8.220 5.813 ( 7.251 1.031 -3.732) 8.220 6.091 ( -1.411 -0.424 -0.929) 1.742 6.091 ( 1.411 -0.424 -0.929) 1.742 6.504 ( -8.336 8.086 -0.121) 11.614 6.504 ( 8.336 8.086 -0.121) 11.614 6.779 ( -1.207 1.048 -1.908) 2.489 6.779 ( 1.207 1.048 -1.908) 2.489 7.048 ( -4.991 -1.850 -1.043) 5.424 7.048 ( 4.991 -1.850 -1.043) 5.424 7.698 ( -10.261 -7.608 -20.461) 24.120 7.698 ( 10.261 -7.608 -20.461) 24.120 7.992 ( -0.117 -0.680 -10.303) 10.326 7.992 ( 0.117 -0.680 -10.303) 10.326 12.015 ( -0.075 2.829 6.411) 7.007 12.015 ( 0.075 2.829 6.411) 7.007 12.535 ( -0.324 0.160 3.993) 4.009 12.535 ( 0.324 0.160 3.993) 4.009 13.257 ( -5.633 -7.116 57.156) 57.872 13.257 ( 5.633 -7.116 57.156) 57.872 15.157 ( -0.267 12.724 -3.756) 13.270 15.157 ( 0.267 12.724 -3.756) 13.270 16.158 ( -4.858 -7.047 -13.051) 15.607 16.158 ( 4.858 -7.047 -13.051) 15.607 17.864 ( -1.608 -0.024 -7.859) 8.022 17.864 ( 1.608 -0.024 -7.859) 8.022 ======================= Grid point 50 (22/60) ======================= q-point: ( 0.00 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 0.000 4.950 24.688) 25.180 1.163 ( 0.000 -4.709 22.902) 23.381 1.475 ( 0.000 7.633 0.960) 7.693 1.536 ( 0.000 0.493 0.830) 0.966 1.773 ( 0.000 12.327 2.926) 12.669 1.862 ( 0.000 3.971 1.259) 4.166 1.924 ( 0.000 12.822 9.179) 15.769 2.110 ( 0.000 -2.121 -0.092) 2.123 2.192 ( 0.000 -4.699 1.188) 4.847 2.210 ( 0.000 2.996 -0.736) 3.085 2.253 ( 0.000 -7.327 4.752) 8.733 2.304 ( 0.000 15.570 -4.905) 16.325 2.434 ( 0.000 -1.498 -1.703) 2.268 2.585 ( 0.000 6.249 -0.326) 6.257 2.620 ( 0.000 -8.356 -2.658) 8.769 2.753 ( 0.000 -5.196 3.023) 6.011 2.771 ( 0.000 -2.048 2.736) 3.418 2.838 ( 0.000 4.621 -3.785) 5.973 2.906 ( 0.000 -7.719 2.641) 8.159 3.005 ( 0.000 -8.543 -2.979) 9.047 3.095 ( 0.000 5.637 -12.832) 14.015 3.174 ( 0.000 -0.370 -16.355) 16.359 3.275 ( 0.000 10.704 15.039) 18.459 3.546 ( 0.000 -7.565 14.730) 16.559 3.653 ( 0.000 5.819 0.733) 5.865 3.730 ( 0.000 9.188 13.013) 15.929 3.827 ( 0.000 0.386 11.265) 11.271 3.869 ( 0.000 -10.019 5.203) 11.290 3.957 ( 0.000 0.515 -2.627) 2.677 4.018 ( 0.000 -4.297 -1.477) 4.544 4.206 ( 0.000 2.014 20.627) 20.725 4.221 ( 0.000 0.553 16.467) 16.476 4.405 ( 0.000 4.817 2.684) 5.514 4.465 ( 0.000 5.448 5.449) 7.705 4.510 ( 0.000 -5.356 1.276) 5.506 4.550 ( 0.000 -1.470 -0.208) 1.484 4.730 ( 0.000 -1.053 -13.083) 13.125 4.798 ( 0.000 -5.449 -11.996) 13.176 4.966 ( 0.000 3.221 2.300) 3.958 4.985 ( 0.000 1.528 1.417) 2.083 5.199 ( 0.000 4.279 -2.264) 4.841 5.253 ( 0.000 3.654 0.743) 3.728 5.289 ( 0.000 -4.090 -3.331) 5.275 5.343 ( 0.000 -4.832 1.407) 5.032 5.384 ( 0.000 3.723 7.504) 8.377 5.447 ( 0.000 -2.159 8.868) 9.127 5.660 ( 0.000 5.188 -1.974) 5.551 5.816 ( 0.000 -8.634 -3.558) 9.338 6.133 ( 0.000 1.552 -1.385) 2.080 6.155 ( 0.000 -0.513 -1.686) 1.763 6.432 ( 0.000 6.591 2.637) 7.099 6.576 ( 0.000 -6.805 2.429) 7.225 6.794 ( 0.000 2.471 -1.204) 2.749 6.857 ( 0.000 -3.413 -0.197) 3.419 6.939 ( 0.000 6.596 -1.484) 6.761 7.073 ( 0.000 -5.387 -1.719) 5.654 7.537 ( 0.000 7.403 -19.837) 21.173 7.701 ( 0.000 -8.786 -18.345) 20.340 7.980 ( 0.000 -0.216 -10.232) 10.235 7.980 ( 0.000 -0.257 -10.194) 10.197 12.063 ( 0.000 1.350 6.578) 6.715 12.063 ( 0.000 1.326 6.517) 6.651 12.535 ( 0.000 0.255 4.458) 4.465 12.540 ( 0.000 -0.192 4.205) 4.209 13.116 ( 0.000 0.780 50.189) 50.195 13.181 ( 0.000 -5.910 54.063) 54.385 15.576 ( 0.000 12.213 -8.899) 15.111 15.626 ( 0.000 9.973 -5.852) 11.563 15.734 ( 0.000 -4.196 -11.688) 12.418 15.882 ( 0.000 -13.140 -5.864) 14.389 17.866 ( 0.000 1.445 -9.210) 9.323 17.894 ( 0.000 -1.222 -8.548) 8.635 ======================= Grid point 51 (23/60) ======================= q-point: ( 0.25 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 2.222 3.549 24.716) 25.068 1.154 ( -0.926 -2.382 23.594) 23.732 1.482 ( 0.805 8.800 1.699) 8.998 1.547 ( 0.463 0.738 2.035) 2.213 1.727 ( -4.053 7.698 0.493) 8.714 1.775 ( -6.116 2.556 2.235) 6.995 1.922 ( -2.160 8.262 8.543) 12.079 1.977 ( -5.907 7.509 4.960) 10.764 2.129 ( -0.323 -4.719 1.044) 4.844 2.210 ( -3.045 -1.968 2.192) 4.237 2.329 ( 2.514 7.343 -1.903) 7.991 2.355 ( 3.222 0.777 -0.640) 3.376 2.541 ( 6.932 -1.355 -3.381) 7.831 2.612 ( 2.804 7.749 -2.800) 8.703 2.635 ( 0.945 -2.172 -1.926) 3.053 2.740 ( -1.151 0.018 -1.384) 1.800 2.838 ( 5.540 -6.197 -0.608) 8.334 2.895 ( 2.063 -5.441 1.912) 6.125 2.917 ( 5.363 -7.013 -1.665) 8.984 3.039 ( 4.642 -2.889 0.222) 5.472 3.093 ( -0.431 4.535 -11.889) 12.732 3.160 ( -0.715 1.246 -13.537) 13.613 3.282 ( -0.586 7.546 11.655) 13.897 3.455 ( -12.668 0.240 1.748) 12.790 3.559 ( 0.716 -1.560 14.415) 14.517 3.683 ( -8.654 -6.510 7.927) 13.420 3.863 ( 5.187 8.586 11.108) 14.967 3.917 ( 0.982 3.282 7.278) 8.044 3.975 ( 2.579 -2.418 -2.945) 4.601 4.045 ( 1.535 -4.658 1.855) 5.243 4.203 ( 0.601 1.496 20.045) 20.110 4.239 ( 0.763 1.486 17.922) 18.000 4.402 ( -0.200 3.890 3.167) 5.020 4.441 ( -1.946 4.571 4.236) 6.529 4.514 ( 0.490 -4.216 1.426) 4.477 4.551 ( -0.409 -1.419 1.105) 1.845 4.737 ( 0.854 -1.954 -13.607) 13.773 4.787 ( -1.140 -4.964 -12.369) 13.377 4.968 ( 0.275 2.989 2.024) 3.620 4.982 ( -0.296 1.904 1.536) 2.464 5.203 ( 0.438 3.130 -2.288) 3.901 5.246 ( -0.636 3.354 -0.915) 3.534 5.290 ( -0.435 -3.353 -1.523) 3.708 5.325 ( -3.362 1.708 7.574) 8.461 5.343 ( -0.098 -3.266 -0.123) 3.270 5.410 ( -3.179 -3.840 8.357) 9.730 5.730 ( 5.447 3.525 -1.619) 6.687 5.829 ( 0.553 -5.326 -2.665) 5.981 6.101 ( -2.000 0.700 -0.632) 2.212 6.124 ( -2.688 -0.313 -0.529) 2.757 6.508 ( 6.890 6.434 1.175) 9.500 6.629 ( 3.599 -4.221 1.427) 5.728 6.796 ( 0.368 2.459 -1.431) 2.869 6.845 ( -1.415 -0.684 -0.539) 1.661 6.958 ( 2.034 3.464 -1.597) 4.323 7.054 ( -1.943 -4.339 -2.240) 5.255 7.533 ( 0.298 3.690 -18.562) 18.928 7.658 ( -4.200 -7.668 -17.721) 19.761 7.980 ( 0.025 -0.260 -10.234) 10.237 7.980 ( 0.019 -0.309 -10.211) 10.215 12.062 ( -0.044 1.344 6.571) 6.707 12.063 ( -0.045 1.305 6.578) 6.706 12.536 ( 0.061 0.204 4.328) 4.333 12.539 ( -0.070 -0.115 4.174) 4.176 13.130 ( 1.353 -0.062 51.013) 51.031 13.177 ( -0.519 -4.790 53.930) 54.144 15.420 ( -9.451 4.465 -5.651) 11.883 15.448 ( -9.379 6.554 -4.663) 12.356 15.947 ( 11.138 -0.660 -12.803) 16.982 16.002 ( 7.565 -5.367 -10.132) 13.736 17.862 ( -0.253 0.957 -9.002) 9.057 17.882 ( -1.113 -0.861 -8.511) 8.627 ======================= Grid point 52 (24/60) ======================= q-point: (-0.50 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -2.097 0.991 24.737) 24.846 1.127 ( 2.097 0.991 24.737) 24.846 1.517 ( -3.004 6.766 2.419) 7.788 1.517 ( 3.004 6.766 2.419) 7.788 1.695 ( -1.554 0.653 1.669) 2.372 1.695 ( 1.554 0.653 1.669) 2.372 1.911 ( -1.699 8.485 6.807) 11.010 1.911 ( 1.699 8.485 6.807) 11.010 2.155 ( -2.540 -1.293 1.124) 3.064 2.155 ( 2.540 -1.293 1.124) 3.064 2.365 ( -1.183 1.846 -0.112) 2.195 2.365 ( 1.183 1.846 -0.112) 2.195 2.609 ( -1.928 2.323 -2.236) 3.757 2.609 ( 1.928 2.323 -2.236) 3.757 2.707 ( -3.700 1.380 -2.866) 4.879 2.707 ( 3.700 1.380 -2.866) 4.879 2.889 ( -1.135 -7.031 -3.835) 8.089 2.889 ( 1.135 -7.031 -3.835) 8.089 3.070 ( -3.255 0.998 -6.193) 7.067 3.070 ( 3.255 0.998 -6.193) 7.067 3.164 ( -6.913 2.733 -1.568) 7.598 3.164 ( 6.913 2.733 -1.568) 7.598 3.244 ( -6.824 -3.325 2.045) 7.861 3.244 ( 6.824 -3.325 2.045) 7.861 3.578 ( -2.104 -2.020 11.881) 12.234 3.578 ( 2.104 -2.020 11.881) 12.234 3.912 ( -1.132 6.844 7.301) 10.071 3.912 ( 1.132 6.844 7.301) 10.071 4.037 ( -2.554 -2.899 2.816) 4.781 4.037 ( 2.554 -2.899 2.816) 4.781 4.230 ( -1.620 1.941 19.188) 19.354 4.230 ( 1.620 1.941 19.188) 19.354 4.410 ( -1.195 3.288 3.523) 4.965 4.410 ( 1.195 3.288 3.523) 4.965 4.532 ( -1.290 -2.370 1.646) 3.161 4.532 ( 1.290 -2.370 1.646) 3.161 4.760 ( -1.500 -3.693 -13.284) 13.870 4.760 ( 1.500 -3.693 -13.284) 13.870 4.975 ( -0.406 2.522 1.687) 3.062 4.975 ( 0.406 2.522 1.687) 3.062 5.223 ( -1.710 1.443 -2.862) 3.633 5.223 ( 1.710 1.443 -2.862) 3.633 5.284 ( -0.814 0.529 3.806) 3.928 5.284 ( 0.814 0.529 3.806) 3.928 5.362 ( -1.826 -4.303 3.958) 6.125 5.362 ( 1.826 -4.303 3.958) 6.125 5.812 ( -2.708 -0.365 -1.834) 3.291 5.812 ( 2.708 -0.365 -1.834) 3.291 6.087 ( -0.718 -0.053 -0.008) 0.720 6.087 ( 0.718 -0.053 -0.008) 0.720 6.629 ( -4.333 3.199 0.499) 5.409 6.629 ( 4.333 3.199 0.499) 5.409 6.813 ( -1.497 1.661 -1.350) 2.612 6.813 ( 1.497 1.661 -1.350) 2.612 7.008 ( -2.851 -1.618 -2.268) 3.986 7.008 ( 2.851 -1.618 -2.268) 3.986 7.572 ( -3.990 -3.492 -17.133) 17.934 7.572 ( 3.990 -3.492 -17.133) 17.934 7.980 ( -0.016 -0.325 -10.228) 10.233 7.980 ( 0.016 -0.325 -10.228) 10.233 12.062 ( -0.012 1.311 6.601) 6.730 12.062 ( 0.012 1.311 6.601) 6.730 12.537 ( -0.099 0.058 4.171) 4.172 12.537 ( 0.099 0.058 4.171) 4.172 13.159 ( -1.445 -2.278 52.816) 52.885 13.159 ( 1.445 -2.278 52.816) 52.885 15.339 ( -1.189 4.326 -3.879) 5.931 15.339 ( 1.189 4.326 -3.879) 5.931 16.069 ( -1.316 -1.778 -13.236) 13.420 16.069 ( 1.316 -1.778 -13.236) 13.420 17.864 ( -0.585 -0.014 -8.619) 8.639 17.864 ( 0.585 -0.014 -8.619) 8.639 ======================= Grid point 70 (25/60) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 0.000 0.000 15.386) 15.386 0.715 ( 0.000 0.000 13.737) 13.737 1.141 ( 0.000 0.000 -11.569) 11.569 1.351 ( 0.000 0.000 14.877) 14.877 1.379 ( 0.000 0.000 11.400) 11.400 1.585 ( 0.000 0.000 7.220) 7.220 1.686 ( 0.000 0.000 5.225) 5.225 1.984 ( 0.000 0.000 27.625) 27.625 1.997 ( 0.000 0.000 -3.147) 3.147 2.083 ( 0.000 0.000 24.556) 24.556 2.148 ( 0.000 0.000 2.688) 2.688 2.407 ( 0.000 0.000 3.995) 3.995 2.435 ( 0.000 0.000 -1.133) 1.133 2.572 ( 0.000 0.000 -10.444) 10.444 2.833 ( 0.000 0.000 -9.576) 9.576 2.852 ( 0.000 0.000 -8.411) 8.411 2.894 ( 0.000 0.000 6.180) 6.180 2.941 ( 0.000 0.000 5.047) 5.047 2.969 ( 0.000 0.000 0.263) 0.263 3.056 ( 0.000 0.000 -3.518) 3.518 3.238 ( 0.000 0.000 2.901) 2.901 3.245 ( 0.000 0.000 -1.155) 1.155 3.274 ( 0.000 0.000 6.583) 6.583 3.471 ( 0.000 0.000 2.623) 2.623 3.548 ( 0.000 0.000 5.697) 5.697 3.661 ( 0.000 0.000 -2.376) 2.376 3.864 ( 0.000 0.000 -6.196) 6.196 4.071 ( 0.000 0.000 10.223) 10.223 4.126 ( 0.000 0.000 -4.467) 4.467 4.237 ( 0.000 0.000 -18.305) 18.305 4.303 ( 0.000 0.000 2.110) 2.110 4.365 ( 0.000 0.000 8.383) 8.383 4.460 ( 0.000 0.000 21.488) 21.488 4.545 ( 0.000 0.000 -13.388) 13.388 4.745 ( 0.000 0.000 41.865) 41.865 4.791 ( 0.000 0.000 4.285) 4.285 4.806 ( 0.000 0.000 10.455) 10.455 4.847 ( 0.000 0.000 0.376) 0.376 4.942 ( 0.000 0.000 2.593) 2.593 4.986 ( 0.000 0.000 -1.173) 1.173 5.054 ( 0.000 0.000 -4.346) 4.346 5.147 ( 0.000 0.000 -5.612) 5.612 5.169 ( 0.000 0.000 24.375) 24.375 5.288 ( 0.000 0.000 -4.456) 4.456 5.470 ( 0.000 0.000 -5.717) 5.717 5.519 ( 0.000 0.000 -4.799) 4.799 5.616 ( 0.000 0.000 -0.540) 0.540 5.725 ( 0.000 0.000 6.907) 6.907 6.002 ( 0.000 0.000 -2.756) 2.756 6.056 ( 0.000 0.000 -9.920) 9.920 6.254 ( 0.000 0.000 4.661) 4.661 6.405 ( 0.000 0.000 2.463) 2.463 6.717 ( 0.000 0.000 -4.263) 4.263 6.795 ( 0.000 0.000 -4.649) 4.649 6.892 ( 0.000 0.000 2.787) 2.787 7.006 ( 0.000 0.000 0.666) 0.666 7.157 ( 0.000 0.000 -1.101) 1.101 7.695 ( 0.000 0.000 -20.204) 20.204 7.704 ( 0.000 0.000 -19.284) 19.284 7.708 ( 0.000 0.000 -19.465) 19.465 12.106 ( 0.000 0.000 10.032) 10.032 12.109 ( 0.000 0.000 10.942) 10.942 12.600 ( 0.000 0.000 3.769) 3.769 12.626 ( 0.000 0.000 3.727) 3.727 14.374 ( 0.000 0.000 46.937) 46.937 14.521 ( 0.000 0.000 2.373) 2.373 14.618 ( 0.000 0.000 -5.050) 5.050 15.217 ( 0.000 0.000 5.883) 5.883 15.867 ( 0.000 0.000 -18.670) 18.670 16.841 ( 0.000 0.000 5.750) 5.750 17.561 ( 0.000 0.000 -16.036) 16.036 17.783 ( 0.000 0.000 -9.126) 9.126 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 9.772 0.000 10.057) 14.023 0.936 ( 19.421 0.000 8.296) 21.119 1.075 ( -6.679 0.000 -7.046) 9.708 1.351 ( -2.221 0.000 11.655) 11.865 1.376 ( 2.376 0.000 13.415) 13.623 1.620 ( 3.268 0.000 5.035) 6.002 1.701 ( 0.864 0.000 4.708) 4.787 1.804 ( -14.024 0.000 4.010) 14.586 2.053 ( 1.219 0.000 28.496) 28.522 2.083 ( 0.149 0.000 14.232) 14.233 2.132 ( -0.204 0.000 0.174) 0.268 2.314 ( -6.537 0.000 0.168) 6.539 2.548 ( 7.834 0.000 4.653) 9.112 2.581 ( 0.435 0.000 -8.894) 8.905 2.654 ( -6.981 0.000 -7.231) 10.051 2.844 ( -7.316 0.000 8.813) 11.454 2.893 ( -0.249 0.000 4.830) 4.837 2.943 ( -2.377 0.000 0.579) 2.447 3.040 ( 4.360 0.000 -4.926) 6.578 3.074 ( 4.303 0.000 -2.427) 4.941 3.243 ( 1.472 0.000 -0.474) 1.547 3.252 ( -0.167 0.000 5.728) 5.730 3.299 ( 1.260 0.000 0.626) 1.407 3.437 ( -3.621 0.000 3.020) 4.715 3.608 ( 7.210 0.000 5.140) 8.854 3.711 ( 4.854 0.000 -6.153) 7.837 3.875 ( -0.260 0.000 -8.244) 8.248 3.973 ( -8.461 0.000 4.848) 9.751 4.124 ( 0.921 0.000 -2.299) 2.477 4.285 ( -3.266 0.000 0.445) 3.296 4.311 ( 5.859 0.000 -12.988) 14.249 4.354 ( 0.168 0.000 10.340) 10.341 4.429 ( -2.557 0.000 20.353) 20.513 4.509 ( -3.576 0.000 -12.888) 13.375 4.763 ( 0.659 0.000 28.875) 28.883 4.791 ( -1.008 0.000 15.075) 15.109 4.822 ( 3.152 0.000 15.543) 15.859 4.874 ( 2.686 0.000 -1.206) 2.944 4.934 ( -1.505 0.000 9.417) 9.536 4.988 ( 1.174 0.000 -0.173) 1.186 5.009 ( -3.759 0.000 -4.529) 5.886 5.117 ( -4.333 0.000 17.089) 17.630 5.201 ( 5.114 0.000 -4.765) 6.990 5.321 ( 1.993 0.000 -4.709) 5.113 5.466 ( -0.064 0.000 -4.933) 4.933 5.512 ( -0.868 0.000 -4.661) 4.741 5.612 ( -0.062 0.000 0.249) 0.257 5.692 ( -3.171 0.000 6.011) 6.796 6.009 ( 0.723 0.000 -3.686) 3.757 6.047 ( -0.856 0.000 -8.629) 8.671 6.273 ( 1.938 0.000 4.269) 4.689 6.378 ( -2.624 0.000 2.697) 3.763 6.701 ( -1.022 0.000 -3.644) 3.784 6.727 ( -1.974 0.000 -3.533) 4.047 7.033 ( 2.621 0.000 0.466) 2.663 7.139 ( -1.930 0.000 -0.796) 2.088 7.147 ( 18.169 0.000 -7.614) 19.700 7.638 ( -6.226 0.000 -19.436) 20.408 7.704 ( 0.073 0.000 -19.305) 19.305 7.708 ( -0.059 0.000 -19.431) 19.431 12.104 ( 0.047 0.000 10.417) 10.418 12.112 ( 0.030 0.000 10.549) 10.549 12.604 ( 0.395 0.000 3.796) 3.816 12.622 ( -0.360 0.000 3.770) 3.787 14.482 ( 11.184 0.000 45.424) 46.781 14.535 ( 1.431 0.000 1.246) 1.897 14.604 ( -1.464 0.000 -4.001) 4.260 15.076 ( -13.895 0.000 17.473) 22.324 15.963 ( 9.836 0.000 -15.611) 18.451 16.606 ( -20.802 0.000 6.056) 21.666 17.593 ( 3.261 0.000 -15.025) 15.375 17.750 ( -3.312 0.000 -10.140) 10.667 ======================= Grid point 72 (27/60) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -10.573 0.000 1.203) 10.641 0.909 ( 10.573 0.000 1.203) 10.641 1.256 ( -10.212 0.000 10.319) 14.518 1.256 ( 10.212 0.000 10.319) 14.518 1.509 ( -13.910 0.000 3.849) 14.432 1.509 ( 13.910 0.000 3.849) 14.432 1.684 ( -2.824 0.000 3.700) 4.654 1.684 ( 2.824 0.000 3.700) 4.654 2.073 ( -1.136 0.000 22.793) 22.822 2.073 ( 1.136 0.000 22.793) 22.822 2.186 ( -5.902 0.000 -1.245) 6.032 2.186 ( 5.902 0.000 -1.245) 6.032 2.587 ( -0.945 0.000 -6.409) 6.479 2.587 ( 0.945 0.000 -6.409) 6.479 2.700 ( -8.040 0.000 9.057) 12.110 2.700 ( 8.040 0.000 9.057) 12.110 2.902 ( -1.435 0.000 2.569) 2.943 2.902 ( 1.435 0.000 2.569) 2.943 3.085 ( -2.481 0.000 -0.757) 2.594 3.085 ( 2.481 0.000 -0.757) 2.594 3.280 ( -2.140 0.000 -0.152) 2.146 3.280 ( 2.140 0.000 -0.152) 2.146 3.338 ( -6.698 0.000 3.246) 7.443 3.338 ( 6.698 0.000 3.246) 7.443 3.789 ( -10.658 0.000 3.982) 11.377 3.789 ( 10.658 0.000 3.982) 11.377 3.816 ( -5.458 0.000 -10.252) 11.614 3.816 ( 5.458 0.000 -10.252) 11.614 4.190 ( -5.514 0.000 0.674) 5.555 4.190 ( 5.514 0.000 0.674) 5.555 4.382 ( -2.294 0.000 14.466) 14.647 4.382 ( 2.294 0.000 14.466) 14.647 4.421 ( -5.549 0.000 -12.182) 13.386 4.421 ( 5.549 0.000 -12.182) 13.386 4.773 ( -0.716 0.000 19.336) 19.349 4.773 ( 0.716 0.000 19.336) 19.349 4.888 ( -3.207 0.000 21.240) 21.481 4.888 ( 3.207 0.000 21.240) 21.481 4.936 ( -3.764 0.000 -3.485) 5.130 4.936 ( 3.764 0.000 -3.485) 5.130 5.038 ( -3.776 0.000 3.652) 5.253 5.038 ( 3.776 0.000 3.652) 5.253 5.301 ( -4.307 0.000 -4.873) 6.504 5.301 ( 4.307 0.000 -4.873) 6.504 5.485 ( -1.816 0.000 -4.065) 4.453 5.485 ( 1.816 0.000 -4.065) 4.453 5.632 ( -2.452 0.000 3.028) 3.896 5.632 ( 2.452 0.000 3.028) 3.896 6.028 ( -1.156 0.000 -6.018) 6.128 6.028 ( 1.156 0.000 -6.018) 6.128 6.321 ( -3.099 0.000 3.409) 4.607 6.321 ( 3.099 0.000 3.409) 4.607 6.702 ( -0.921 0.000 -4.027) 4.131 6.702 ( 0.921 0.000 -4.027) 4.131 7.090 ( -3.114 0.000 -0.116) 3.116 7.090 ( 3.114 0.000 -0.116) 3.116 7.455 ( -13.494 0.000 -16.104) 21.010 7.455 ( 13.494 0.000 -16.104) 21.010 7.706 ( -0.095 0.000 -19.361) 19.361 7.706 ( 0.095 0.000 -19.361) 19.361 12.108 ( -0.317 0.000 10.476) 10.481 12.108 ( 0.317 0.000 10.476) 10.481 12.613 ( -0.539 0.000 3.818) 3.856 12.613 ( 0.539 0.000 3.818) 3.856 14.569 ( -2.048 0.000 -1.416) 2.490 14.569 ( 2.048 0.000 -1.416) 2.490 14.763 ( -17.596 0.000 36.671) 40.674 14.763 ( 17.597 0.000 36.671) 40.674 16.223 ( -17.861 0.000 -4.585) 18.441 16.223 ( 17.861 0.000 -4.585) 18.441 17.671 ( -4.648 0.000 -12.584) 13.415 17.671 ( 4.648 0.000 -12.584) 13.415 ======================= Grid point 75 (28/60) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 0.000 15.088 9.745) 17.962 0.990 ( 0.000 27.801 6.618) 28.578 1.279 ( 0.000 11.633 -9.654) 15.117 1.388 ( 0.000 2.259 15.018) 15.187 1.404 ( 0.000 4.626 10.663) 11.624 1.671 ( 0.000 7.231 8.502) 11.161 1.810 ( 0.000 9.217 6.967) 11.554 1.959 ( 0.000 -1.968 26.747) 26.819 2.064 ( 0.000 5.203 14.003) 14.939 2.065 ( 0.000 -6.620 3.197) 7.352 2.113 ( 0.000 4.246 -2.508) 4.932 2.418 ( 0.000 0.644 2.351) 2.437 2.483 ( 0.000 4.032 2.380) 4.682 2.624 ( 0.000 -0.184 -5.315) 5.318 2.721 ( 0.000 -3.493 -4.449) 5.656 2.731 ( 0.000 -9.442 -0.749) 9.472 2.834 ( 0.000 -6.161 -1.087) 6.256 2.906 ( 0.000 1.329 -4.430) 4.625 2.973 ( 0.000 -0.806 -0.757) 1.106 3.045 ( 0.000 -2.158 -2.719) 3.471 3.193 ( 0.000 -4.211 -2.095) 4.703 3.230 ( 0.000 -3.430 0.273) 3.441 3.436 ( 0.000 -2.041 1.722) 2.671 3.456 ( 0.000 12.037 8.039) 14.475 3.631 ( 0.000 11.846 4.344) 12.618 3.692 ( 0.000 -11.572 1.691) 11.694 3.811 ( 0.000 8.472 4.516) 9.600 4.086 ( 0.000 -2.957 -8.510) 9.010 4.138 ( 0.000 -10.214 -2.469) 10.508 4.159 ( 0.000 3.328 4.136) 5.309 4.253 ( 0.000 0.876 -14.308) 14.334 4.358 ( 0.000 0.211 9.619) 9.621 4.443 ( 0.000 -0.656 17.609) 17.621 4.643 ( 0.000 4.247 -9.727) 10.614 4.742 ( 0.000 -0.670 36.044) 36.050 4.766 ( 0.000 -2.582 4.134) 4.874 4.846 ( 0.000 -0.500 0.772) 0.920 4.850 ( 0.000 3.277 12.953) 13.361 4.928 ( 0.000 0.078 7.710) 7.710 4.993 ( 0.000 -6.356 25.711) 26.484 4.995 ( 0.000 1.531 -1.502) 2.145 5.088 ( 0.000 2.378 -4.011) 4.663 5.188 ( 0.000 3.170 -5.279) 6.158 5.295 ( 0.000 0.763 -3.330) 3.416 5.528 ( 0.000 0.296 -4.488) 4.498 5.575 ( 0.000 -2.290 0.018) 2.290 5.723 ( 0.000 -0.246 7.304) 7.308 5.738 ( 0.000 11.029 -10.651) 15.332 6.008 ( 0.000 0.899 -2.648) 2.797 6.049 ( 0.000 -0.147 -8.277) 8.278 6.290 ( 0.000 3.176 4.415) 5.439 6.509 ( 0.000 8.863 -1.661) 9.018 6.724 ( 0.000 0.924 -3.844) 3.953 6.833 ( 0.000 4.044 -5.813) 7.081 6.858 ( 0.000 -3.110 2.937) 4.278 6.989 ( 0.000 -1.678 0.576) 1.774 7.144 ( 0.000 -1.233 -1.634) 2.047 7.645 ( 0.000 -4.686 -19.303) 19.863 7.698 ( 0.000 -0.522 -19.408) 19.415 7.702 ( 0.000 -0.567 -19.553) 19.562 12.131 ( 0.000 2.251 10.184) 10.429 12.134 ( 0.000 2.313 10.971) 11.212 12.610 ( 0.000 0.855 4.137) 4.224 12.629 ( 0.000 0.282 4.001) 4.011 14.323 ( 0.000 -3.237 48.762) 48.870 14.530 ( 0.000 0.065 11.838) 11.838 14.768 ( 0.000 12.157 -6.072) 13.589 15.257 ( 0.000 3.612 3.626) 5.118 15.754 ( 0.000 -9.643 -13.066) 16.239 16.531 ( 0.000 -22.900 10.392) 25.148 17.562 ( 0.000 0.121 -16.478) 16.479 17.763 ( 0.000 -1.910 -10.440) 10.613 ======================= Grid point 76 (29/60) ======================= q-point: ( 0.25 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 4.641 15.401 9.100) 18.481 1.161 ( 9.045 17.475 0.796) 19.693 1.215 ( -1.801 12.661 -0.088) 12.789 1.409 ( 0.003 6.027 9.524) 11.271 1.418 ( 2.941 3.726 10.851) 11.843 1.696 ( 2.650 6.592 6.284) 9.486 1.815 ( -0.659 8.444 5.325) 10.005 1.850 ( -12.471 4.002 7.866) 15.278 1.969 ( -3.346 -4.321 17.879) 18.695 2.037 ( -3.787 -2.979 9.066) 10.267 2.188 ( 6.928 2.565 8.874) 11.547 2.407 ( -1.723 7.612 -0.379) 7.813 2.533 ( 4.712 0.217 1.455) 4.936 2.632 ( 0.457 0.190 -3.345) 3.382 2.669 ( -2.282 2.677 -7.161) 7.979 2.743 ( -1.928 -8.762 2.682) 9.364 2.779 ( -4.819 -3.684 0.807) 6.119 2.870 ( -3.814 -5.122 3.284) 7.181 3.047 ( 4.216 -1.483 -2.934) 5.346 3.063 ( 4.647 -1.432 -3.361) 5.911 3.190 ( 0.466 -4.654 -1.463) 4.901 3.241 ( 0.001 -5.296 -1.778) 5.587 3.430 ( 1.664 12.713 4.605) 13.623 3.560 ( 7.347 -1.465 4.048) 8.515 3.594 ( -3.373 11.421 5.040) 12.932 3.711 ( 0.644 -9.979 1.302) 10.084 3.803 ( 0.384 5.631 2.253) 6.077 4.028 ( -8.273 1.123 -0.767) 8.384 4.089 ( -1.125 -2.772 -10.617) 11.031 4.128 ( -1.185 -10.189 -4.390) 11.157 4.297 ( 2.161 1.163 3.952) 4.653 4.398 ( -0.414 1.023 9.168) 9.234 4.426 ( 2.392 1.516 7.724) 8.227 4.599 ( -3.715 3.626 -6.390) 8.233 4.765 ( 1.367 0.182 34.191) 34.219 4.802 ( 2.426 -1.952 5.840) 6.618 4.822 ( -0.560 0.035 10.895) 10.910 4.871 ( 1.401 0.539 2.961) 3.320 4.919 ( -0.970 0.545 11.085) 11.141 4.970 ( -1.636 -3.490 17.008) 17.439 5.009 ( 0.494 0.000 0.790) 0.931 5.058 ( -2.139 2.648 -3.769) 5.079 5.238 ( 4.265 2.195 -4.457) 6.548 5.319 ( 1.455 -0.306 -3.793) 4.074 5.542 ( 1.521 1.800 -4.673) 5.234 5.575 ( 0.242 -0.589 1.195) 1.354 5.686 ( -4.303 8.803 -8.114) 12.722 5.690 ( -3.161 0.712 6.095) 6.903 6.015 ( 0.636 0.779 -3.317) 3.466 6.044 ( -0.547 0.010 -7.243) 7.264 6.312 ( 2.273 3.549 4.000) 5.811 6.457 ( -4.510 7.147 0.629) 8.474 6.710 ( -1.001 0.985 -3.204) 3.498 6.733 ( -2.248 0.540 -2.850) 3.670 7.003 ( 3.739 -2.567 0.117) 4.537 7.122 ( 0.413 -1.710 -1.972) 2.643 7.147 ( 13.639 0.027 -7.589) 15.608 7.589 ( -5.915 -4.459 -18.505) 19.932 7.699 ( 0.120 -0.493 -19.432) 19.438 7.703 ( 0.015 -0.491 -19.523) 19.529 12.130 ( 0.044 2.324 10.473) 10.728 12.136 ( 0.011 2.219 10.673) 10.901 12.613 ( 0.259 0.735 4.143) 4.215 12.626 ( -0.289 0.341 4.051) 4.076 14.397 ( 7.102 -4.586 45.391) 46.171 14.538 ( 0.482 -0.613 13.835) 13.857 14.773 ( 1.177 12.192 -3.014) 12.614 15.110 ( -13.111 3.302 12.054) 18.114 15.866 ( 10.278 -8.047 -12.649) 18.177 16.381 ( -13.870 -17.197 6.127) 22.927 17.590 ( 2.855 -0.256 -15.558) 15.820 17.731 ( -3.113 -1.707 -11.263) 11.809 ======================= Grid point 77 (30/60) ======================= q-point: (-0.50 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -8.769 11.494 3.828) 14.955 1.048 ( 8.769 11.494 3.828) 14.955 1.377 ( -4.549 9.983 8.086) 13.629 1.377 ( 4.549 9.983 8.086) 13.629 1.566 ( -14.507 5.496 1.663) 15.602 1.566 ( 14.507 5.496 1.663) 15.602 1.763 ( -4.052 6.354 3.850) 8.462 1.763 ( 4.052 6.354 3.850) 8.462 1.976 ( -2.729 -4.189 21.070) 21.655 1.976 ( 2.729 -4.189 21.070) 21.655 2.326 ( -6.916 8.081 0.079) 10.636 2.326 ( 6.916 8.081 0.079) 10.636 2.628 ( -3.073 2.350 -6.282) 7.378 2.628 ( 3.073 2.350 -6.282) 7.378 2.650 ( -2.479 -2.400 5.441) 6.443 2.650 ( 2.479 -2.400 5.441) 6.443 2.789 ( -3.606 -7.323 2.682) 8.592 2.789 ( 3.606 -7.323 2.682) 8.592 3.100 ( -2.142 -0.674 -0.590) 2.322 3.100 ( 2.142 -0.674 -0.590) 2.322 3.226 ( -2.022 -4.671 -2.447) 5.648 3.226 ( 2.022 -4.671 -2.447) 5.648 3.501 ( -5.593 12.581 5.058) 14.668 3.501 ( 5.593 12.581 5.058) 14.668 3.682 ( -4.228 -7.096 1.520) 8.399 3.682 ( 4.228 -7.096 1.520) 8.399 3.870 ( -7.004 2.556 -1.084) 7.534 3.870 ( 7.004 2.556 -1.084) 7.534 4.098 ( -1.632 -7.058 -7.892) 10.712 4.098 ( 1.632 -7.058 -7.892) 10.712 4.343 ( -3.043 0.994 12.129) 12.544 4.343 ( 3.043 0.994 12.129) 12.544 4.517 ( -4.947 3.473 -3.543) 7.006 4.517 ( 4.947 3.473 -3.543) 7.006 4.788 ( -1.230 0.711 22.402) 22.447 4.788 ( 1.230 0.711 22.402) 22.447 4.871 ( -2.408 -1.782 9.189) 9.665 4.871 ( 2.408 -1.782 9.189) 9.665 4.925 ( -2.503 -1.270 9.828) 10.221 4.925 ( 2.503 -1.270 9.828) 10.221 5.025 ( -1.320 2.044 -2.188) 3.273 5.025 ( 1.320 2.044 -2.188) 3.273 5.311 ( -2.658 -0.392 -4.355) 5.118 5.311 ( 2.658 -0.392 -4.355) 5.118 5.579 ( -1.439 4.817 -2.349) 5.549 5.579 ( 1.439 4.817 -2.349) 5.549 5.635 ( -1.012 1.628 0.662) 2.028 5.635 ( 1.012 1.628 0.662) 2.028 6.030 ( -0.897 0.419 -5.124) 5.219 6.030 ( 0.897 0.419 -5.124) 5.219 6.373 ( -4.128 4.815 2.706) 6.895 6.373 ( 4.128 4.815 2.706) 6.895 6.708 ( -0.729 0.673 -3.508) 3.646 6.708 ( 0.729 0.673 -3.508) 3.646 7.072 ( -3.478 -1.661 -0.455) 3.881 7.072 ( 3.478 -1.661 -0.455) 3.881 7.420 ( -12.263 -3.200 -15.476) 20.003 7.420 ( 12.263 -3.200 -15.476) 20.003 7.702 ( -0.138 -0.442 -19.468) 19.473 7.702 ( 0.138 -0.442 -19.468) 19.473 12.133 ( -0.260 2.260 10.567) 10.809 12.133 ( 0.260 2.260 10.567) 10.809 12.619 ( -0.402 0.507 4.125) 4.176 12.619 ( 0.402 0.507 4.125) 4.176 14.518 ( -3.779 -4.065 26.643) 27.215 14.518 ( 3.779 -4.065 26.643) 27.215 14.867 ( -10.222 8.667 12.023) 18.004 14.867 ( 10.222 8.667 12.023) 18.004 16.102 ( -14.446 -9.838 -5.115) 18.211 16.102 ( 14.446 -9.838 -5.115) 18.211 17.659 ( -4.186 -1.074 -13.359) 14.040 17.659 ( 4.186 -1.074 -13.359) 14.040 ======================= Grid point 80 (31/60) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 0.000 16.506 4.654) 17.150 1.444 ( 0.000 2.995 15.332) 15.622 1.535 ( 0.000 11.646 8.771) 14.579 1.537 ( 0.000 9.882 -0.875) 9.921 1.582 ( 0.000 20.454 2.363) 20.590 1.827 ( 0.000 6.792 11.891) 13.694 1.928 ( 0.000 -1.937 9.612) 9.805 1.936 ( 0.000 -1.389 13.034) 13.107 1.993 ( 0.000 8.411 9.063) 12.365 2.198 ( 0.000 3.728 -1.346) 3.964 2.251 ( 0.000 10.021 -4.787) 11.106 2.401 ( 0.000 -3.500 -0.293) 3.513 2.476 ( 0.000 -7.614 4.764) 8.982 2.544 ( 0.000 0.155 -0.259) 0.302 2.625 ( 0.000 1.170 -0.905) 1.479 2.707 ( 0.000 -4.705 -1.371) 4.901 2.811 ( 0.000 5.160 -10.535) 11.731 2.904 ( 0.000 -5.593 -0.712) 5.638 2.927 ( 0.000 -9.281 -1.780) 9.451 2.930 ( 0.000 -0.126 -2.578) 2.581 3.071 ( 0.000 -6.453 -3.305) 7.249 3.092 ( 0.000 -6.414 -4.075) 7.599 3.507 ( 0.000 -3.619 10.858) 11.445 3.520 ( 0.000 7.428 2.716) 7.909 3.713 ( 0.000 11.864 8.428) 14.553 3.830 ( 0.000 3.027 0.112) 3.029 3.909 ( 0.000 -8.817 -7.570) 11.621 3.944 ( 0.000 2.902 8.675) 9.147 4.079 ( 0.000 5.075 -1.123) 5.197 4.209 ( 0.000 -2.156 3.386) 4.015 4.258 ( 0.000 0.021 -13.107) 13.107 4.373 ( 0.000 2.615 11.119) 11.422 4.460 ( 0.000 2.674 12.280) 12.568 4.663 ( 0.000 -4.941 2.944) 5.752 4.668 ( 0.000 -1.808 -9.155) 9.332 4.761 ( 0.000 0.552 28.188) 28.194 4.788 ( 0.000 -4.104 8.426) 9.372 4.860 ( 0.000 -1.789 30.704) 30.756 4.970 ( 0.000 2.996 6.559) 7.211 4.993 ( 0.000 3.845 7.777) 8.675 5.060 ( 0.000 4.190 -0.965) 4.300 5.140 ( 0.000 2.576 -3.827) 4.613 5.230 ( 0.000 0.118 -6.817) 6.818 5.316 ( 0.000 0.024 -2.822) 2.822 5.526 ( 0.000 0.199 -3.254) 3.260 5.535 ( 0.000 0.049 5.344) 5.345 5.711 ( 0.000 -0.969 8.156) 8.214 5.822 ( 0.000 -1.897 -8.790) 8.993 6.045 ( 0.000 2.339 -2.752) 3.612 6.070 ( 0.000 1.852 -5.808) 6.096 6.379 ( 0.000 5.151 4.304) 6.713 6.673 ( 0.000 5.158 -3.703) 6.349 6.767 ( 0.000 -5.349 3.330) 6.301 6.776 ( 0.000 4.409 -3.060) 5.367 6.934 ( 0.000 -3.450 0.262) 3.459 6.977 ( 0.000 8.841 -11.964) 14.877 7.105 ( 0.000 -2.649 -2.668) 3.759 7.507 ( 0.000 -8.005 -17.475) 19.221 7.685 ( 0.000 -0.651 -19.710) 19.720 7.687 ( 0.000 -0.727 -19.766) 19.779 12.191 ( 0.000 3.115 10.572) 11.021 12.195 ( 0.000 3.114 11.085) 11.514 12.630 ( 0.000 0.839 4.856) 4.928 12.636 ( 0.000 0.331 4.618) 4.630 14.268 ( 0.000 -1.649 53.973) 53.998 14.479 ( 0.000 -5.321 36.630) 37.014 15.069 ( 0.000 15.284 -9.560) 18.027 15.358 ( 0.000 5.663 -1.108) 5.770 15.555 ( 0.000 -6.992 -10.325) 12.469 16.092 ( 0.000 -17.649 3.328) 17.960 17.570 ( 0.000 0.698 -17.327) 17.341 17.708 ( 0.000 -3.047 -13.327) 13.671 ======================= Grid point 81 (32/60) ======================= q-point: ( 0.25 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 1.652 16.374 5.530) 17.361 1.419 ( -4.258 8.445 8.146) 12.483 1.495 ( 0.932 4.527 11.873) 12.741 1.577 ( 1.457 11.111 5.614) 12.534 1.648 ( 5.056 17.236 -2.495) 18.135 1.818 ( -1.356 3.712 7.636) 8.598 1.912 ( -2.074 1.861 14.192) 14.463 1.927 ( -0.116 0.820 10.810) 10.841 1.980 ( -2.407 5.546 13.318) 14.626 2.039 ( -9.362 6.126 -0.824) 11.218 2.286 ( 6.809 7.802 -2.516) 10.657 2.513 ( 5.252 -7.149 2.268) 9.156 2.557 ( 1.402 0.348 0.972) 1.741 2.564 ( 5.745 1.485 1.331) 6.081 2.605 ( -2.383 -0.408 -1.306) 2.748 2.697 ( -1.845 -4.822 -0.656) 5.205 2.772 ( -4.582 3.401 -10.282) 11.759 2.824 ( -5.577 1.461 -3.742) 6.873 2.954 ( 2.867 -8.313 -2.481) 9.136 2.995 ( 6.485 -5.977 -6.363) 10.875 3.042 ( -1.456 -7.484 -2.898) 8.157 3.124 ( 1.911 -3.987 -3.130) 5.417 3.508 ( 0.146 -2.865 8.604) 9.069 3.530 ( 0.064 -2.514 7.024) 7.460 3.746 ( 1.972 13.228 5.364) 14.409 3.814 ( -1.781 4.414 1.694) 5.052 3.895 ( 0.222 -0.197 2.415) 2.434 3.949 ( -0.173 -1.917 -0.217) 1.937 4.012 ( -5.007 -0.432 -0.082) 5.026 4.096 ( -5.555 4.315 -6.054) 9.280 4.359 ( 3.012 3.545 3.657) 5.917 4.425 ( 6.201 -1.303 3.112) 7.059 4.442 ( -1.765 3.278 11.047) 11.658 4.616 ( -3.165 -1.874 -2.530) 4.465 4.713 ( 2.648 -4.908 -2.008) 5.927 4.767 ( 0.156 -2.150 14.161) 14.324 4.785 ( 0.221 -1.702 22.641) 22.706 4.847 ( -1.387 -1.799 30.239) 30.324 4.969 ( -0.009 3.172 6.476) 7.211 4.985 ( -0.678 3.741 7.026) 7.989 5.070 ( 1.006 4.089 -1.281) 4.402 5.119 ( -1.530 3.015 -3.715) 5.023 5.257 ( 1.871 -0.385 -5.414) 5.741 5.303 ( -0.985 -1.267 -3.057) 3.452 5.503 ( 0.838 -3.329 1.297) 3.669 5.620 ( 4.333 3.171 1.816) 5.669 5.665 ( -3.381 -1.946 3.908) 5.522 5.799 ( -2.526 0.965 -6.141) 6.710 6.044 ( 0.002 1.754 -2.712) 3.230 6.062 ( -0.713 1.575 -4.882) 5.179 6.414 ( 3.676 5.940 3.308) 7.729 6.625 ( -5.285 7.157 -1.916) 9.101 6.733 ( -1.189 -0.206 -0.596) 1.346 6.759 ( -1.926 2.952 -2.984) 4.618 6.943 ( 3.842 -2.603 -0.750) 4.701 7.067 ( -0.009 -3.334 -3.474) 4.815 7.153 ( 8.812 0.780 -9.679) 13.113 7.461 ( -4.833 -7.337 -16.612) 18.793 7.686 ( 0.123 -0.681 -19.718) 19.730 7.689 ( 0.071 -0.781 -19.730) 19.746 12.191 ( 0.046 3.151 10.694) 11.149 12.195 ( -0.037 3.049 10.960) 11.376 12.629 ( 0.013 0.712 4.812) 4.864 12.635 ( -0.140 0.422 4.681) 4.702 14.317 ( 4.805 -2.856 52.871) 53.166 14.474 ( -1.000 -5.338 40.371) 40.734 15.058 ( -0.640 13.776 -7.869) 15.878 15.210 ( -9.651 5.766 1.090) 11.295 15.706 ( 10.594 -5.466 -11.704) 16.706 16.034 ( -5.783 -14.395 -0.994) 15.545 17.587 ( 1.772 0.060 -16.632) 16.726 17.684 ( -2.352 -2.577 -13.777) 14.212 ======================= Grid point 82 (33/60) ======================= q-point: (-0.50 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -4.874 13.447 6.090) 15.545 1.324 ( 4.874 13.447 6.090) 15.545 1.549 ( -3.693 4.225 11.268) 12.588 1.549 ( 3.693 4.225 11.268) 12.588 1.751 ( -5.385 11.311 -6.468) 14.099 1.751 ( 5.385 11.311 -6.468) 14.099 1.912 ( -3.402 3.105 18.418) 18.985 1.912 ( 3.402 3.105 18.418) 18.985 1.945 ( -1.631 5.607 9.014) 10.740 1.945 ( 1.631 5.607 9.014) 10.740 2.465 ( -10.319 5.195 -3.142) 11.972 2.465 ( 10.319 5.195 -3.142) 11.972 2.595 ( -1.149 -1.602 2.672) 3.320 2.595 ( 1.149 -1.602 2.672) 3.320 2.623 ( -5.625 -6.170 2.068) 8.601 2.623 ( 5.625 -6.170 2.068) 8.601 2.743 ( -2.919 5.014 -9.669) 11.276 2.743 ( 2.919 5.014 -9.669) 11.276 3.005 ( -2.262 -9.543 -4.047) 10.609 3.005 ( 2.262 -9.543 -4.047) 10.609 3.123 ( -3.732 -3.670 -4.768) 7.080 3.123 ( 3.732 -3.670 -4.768) 7.080 3.514 ( -1.030 -6.815 7.570) 10.237 3.514 ( 1.030 -6.815 7.570) 10.237 3.767 ( -1.885 8.348 5.187) 10.007 3.767 ( 1.885 8.348 5.187) 10.007 3.933 ( -1.522 2.665 5.032) 5.894 3.933 ( 1.522 2.665 5.032) 5.894 3.998 ( -4.068 1.730 -7.778) 8.947 3.998 ( 4.068 1.730 -7.778) 8.947 4.403 ( -2.223 4.010 9.207) 10.286 4.403 ( 2.223 4.010 9.207) 10.286 4.539 ( -5.170 -1.284 -1.153) 5.450 4.539 ( 5.170 -1.284 -1.153) 5.450 4.754 ( -1.455 -5.257 -0.534) 5.481 4.754 ( 1.455 -5.257 -0.534) 5.481 4.811 ( -2.162 -0.573 33.442) 33.516 4.811 ( 2.162 -0.573 33.442) 33.516 4.973 ( -0.469 3.509 6.236) 7.171 4.973 ( 0.469 3.509 6.236) 7.171 5.093 ( -1.307 3.714 -2.491) 4.659 5.093 ( 1.307 3.714 -2.491) 4.659 5.284 ( -1.147 -1.717 -3.885) 4.399 5.284 ( 1.147 -1.717 -3.885) 4.399 5.559 ( -4.760 -3.739 3.283) 6.885 5.559 ( 4.760 -3.739 3.283) 6.885 5.730 ( -4.737 3.898 -3.051) 6.851 5.730 ( 4.737 3.898 -3.051) 6.851 6.049 ( -0.543 1.233 -3.366) 3.626 6.049 ( 0.543 1.233 -3.366) 3.626 6.509 ( -6.161 7.413 0.907) 9.682 6.509 ( 6.161 7.413 0.907) 9.682 6.732 ( -0.870 1.604 -2.522) 3.113 6.732 ( 0.870 1.604 -2.522) 3.113 7.023 ( -3.807 -2.971 -1.372) 5.020 7.023 ( 3.807 -2.971 -1.372) 5.020 7.332 ( -8.769 -4.719 -14.154) 17.306 7.332 ( 8.769 -4.719 -14.154) 17.306 7.688 ( -0.101 -0.753 -19.712) 19.726 7.688 ( 0.101 -0.753 -19.712) 19.726 12.193 ( -0.151 3.086 10.825) 11.258 12.193 ( 0.151 3.086 10.825) 11.258 12.631 ( -0.173 0.548 4.756) 4.791 12.631 ( 0.173 0.548 4.756) 4.791 14.419 ( -5.001 -4.897 48.281) 48.786 14.419 ( 5.001 -4.897 48.281) 48.786 15.079 ( -3.791 10.312 -2.334) 11.232 15.079 ( 3.791 10.312 -2.334) 11.232 15.893 ( -9.034 -8.635 -8.695) 15.225 15.893 ( 9.034 -8.635 -8.695) 15.225 17.632 ( -2.876 -1.344 -15.072) 15.403 17.632 ( 2.876 -1.344 -15.072) 15.403 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 0.000 2.417 14.365) 14.567 1.506 ( 0.000 5.384 3.608) 6.481 1.611 ( 0.000 0.363 15.742) 15.747 1.641 ( 0.000 0.280 10.093) 10.097 1.873 ( 0.000 5.979 7.716) 9.761 1.917 ( 0.000 1.235 5.237) 5.380 2.066 ( 0.000 9.432 -1.788) 9.600 2.080 ( 0.000 11.884 3.942) 12.521 2.186 ( 0.000 11.455 -3.640) 12.020 2.233 ( 0.000 2.096 1.928) 2.848 2.285 ( 0.000 -4.704 6.132) 7.728 2.345 ( 0.000 -5.417 3.221) 6.303 2.402 ( 0.000 -3.469 -1.856) 3.935 2.538 ( 0.000 6.235 -3.016) 6.926 2.543 ( 0.000 -13.657 -3.653) 14.138 2.703 ( 0.000 5.206 -9.256) 10.619 2.726 ( 0.000 -8.544 -3.790) 9.346 2.784 ( 0.000 -3.351 -3.438) 4.801 2.889 ( 0.000 0.962 -8.174) 8.230 2.905 ( 0.000 -1.438 -1.376) 1.990 2.978 ( 0.000 -2.025 1.251) 2.381 2.987 ( 0.000 -3.136 0.452) 3.168 3.569 ( 0.000 7.607 11.893) 14.118 3.661 ( 0.000 2.891 1.930) 3.477 3.789 ( 0.000 -2.470 -10.767) 11.047 3.793 ( 0.000 -2.825 -9.179) 9.604 3.945 ( 0.000 9.611 5.770) 11.210 3.963 ( 0.000 1.045 15.418) 15.453 4.081 ( 0.000 -7.874 10.649) 13.244 4.112 ( 0.000 -4.829 6.915) 8.434 4.367 ( 0.000 10.000 -10.640) 14.602 4.460 ( 0.000 4.390 5.591) 7.108 4.541 ( 0.000 2.049 3.553) 4.101 4.563 ( 0.000 -4.470 3.993) 5.994 4.580 ( 0.000 -3.738 -3.327) 5.004 4.672 ( 0.000 -5.665 4.627) 7.314 4.795 ( 0.000 1.524 34.045) 34.079 4.826 ( 0.000 -1.422 33.244) 33.274 5.027 ( 0.000 2.185 2.671) 3.451 5.048 ( 0.000 0.707 3.333) 3.407 5.148 ( 0.000 3.693 -0.697) 3.758 5.198 ( 0.000 3.008 -4.431) 5.355 5.207 ( 0.000 -1.954 -3.358) 3.885 5.268 ( 0.000 -3.518 -5.179) 6.260 5.569 ( 0.000 3.803 -1.735) 4.180 5.584 ( 0.000 3.024 8.513) 9.034 5.681 ( 0.000 -1.567 7.504) 7.666 5.726 ( 0.000 -5.759 -4.662) 7.409 6.089 ( 0.000 1.458 -2.975) 3.313 6.099 ( 0.000 0.540 -3.910) 3.947 6.502 ( 0.000 6.389 4.112) 7.598 6.640 ( 0.000 -6.504 3.774) 7.520 6.761 ( 0.000 4.031 -1.875) 4.446 6.850 ( 0.000 -4.323 -0.513) 4.354 6.897 ( 0.000 6.532 -2.599) 7.031 7.025 ( 0.000 -5.077 -2.916) 5.855 7.158 ( 0.000 8.045 -15.564) 17.520 7.329 ( 0.000 -8.463 -16.366) 18.425 7.674 ( 0.000 -0.267 -19.948) 19.949 7.675 ( 0.000 -0.354 -19.954) 19.957 12.245 ( 0.000 1.597 11.011) 11.126 12.247 ( 0.000 1.417 11.194) 11.283 12.641 ( 0.000 0.156 5.133) 5.136 12.641 ( 0.000 0.216 5.245) 5.250 14.265 ( 0.000 1.682 56.137) 56.162 14.346 ( 0.000 -5.846 52.947) 53.269 15.355 ( 0.000 9.818 -11.803) 15.353 15.467 ( 0.000 -2.887 -13.264) 13.575 15.502 ( 0.000 9.354 -3.856) 10.117 15.764 ( 0.000 -14.174 -2.437) 14.382 17.595 ( 0.000 1.767 -17.488) 17.577 17.644 ( 0.000 -2.819 -16.103) 16.347 ======================= Grid point 86 (35/60) ======================= q-point: ( 0.25 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 1.559 2.727 10.704) 11.155 1.535 ( 1.045 5.835 5.659) 8.195 1.604 ( 0.620 3.329 16.074) 16.427 1.682 ( 1.932 1.773 8.851) 9.231 1.790 ( -5.526 1.687 8.233) 10.059 1.866 ( -3.060 -4.006 9.541) 10.791 2.019 ( -3.336 8.179 0.573) 8.852 2.115 ( -4.070 11.391 -1.145) 12.150 2.143 ( 2.469 11.246 6.696) 13.320 2.214 ( -1.956 9.091 3.111) 9.805 2.351 ( 6.080 -3.903 3.358) 7.968 2.428 ( 2.095 -8.035 2.973) 8.820 2.458 ( 7.210 -4.114 -0.690) 8.330 2.538 ( 0.964 3.027 -3.141) 4.467 2.571 ( 1.776 -6.798 -4.679) 8.442 2.666 ( -2.487 0.884 -4.463) 5.185 2.748 ( 1.296 -8.320 -6.726) 10.777 2.800 ( 1.266 -1.631 -7.992) 8.254 2.850 ( -5.100 -0.885 -7.690) 9.270 2.873 ( -1.217 0.804 -9.777) 9.885 2.963 ( 3.840 -1.694 1.053) 4.327 3.068 ( 2.726 -1.701 -1.147) 3.412 3.509 ( -7.210 1.732 8.249) 11.092 3.520 ( -8.537 0.626 5.758) 10.316 3.792 ( 0.462 -1.845 -6.709) 6.974 3.810 ( 0.053 -1.832 -10.564) 10.721 3.966 ( 0.445 0.899 12.939) 12.978 3.977 ( -1.911 -1.277 14.412) 14.594 4.064 ( 8.083 11.272 5.001) 14.745 4.247 ( 4.212 -0.283 11.055) 11.834 4.353 ( 0.749 3.901 -12.527) 13.142 4.472 ( 0.857 3.351 3.497) 4.918 4.512 ( -2.008 -1.471 1.753) 3.045 4.558 ( -1.376 1.316 4.831) 5.193 4.599 ( 1.835 -5.542 -0.336) 5.847 4.663 ( -1.001 -5.281 3.882) 6.630 4.798 ( 0.384 0.989 34.553) 34.569 4.821 ( -0.457 -0.888 32.996) 33.011 5.022 ( -0.292 1.506 2.214) 2.693 5.042 ( -0.683 1.312 3.026) 3.369 5.152 ( 0.362 3.032 -0.640) 3.120 5.177 ( -1.195 2.098 -3.328) 4.111 5.227 ( 1.359 -2.051 -3.491) 4.271 5.278 ( 0.278 -0.989 -4.485) 4.601 5.465 ( -3.488 0.488 3.794) 5.177 5.578 ( -6.544 -4.054 4.862) 9.105 5.706 ( 5.680 3.044 0.474) 6.462 5.781 ( 1.964 -1.727 -0.805) 2.736 6.075 ( -0.892 0.868 -2.277) 2.595 6.089 ( -1.135 0.676 -3.150) 3.415 6.547 ( 4.513 6.258 2.688) 8.170 6.668 ( 1.848 -4.099 2.338) 5.068 6.757 ( -0.320 3.964 -2.268) 4.578 6.823 ( -2.706 0.896 -1.761) 3.350 6.918 ( 1.866 1.285 -2.139) 3.116 6.991 ( -2.428 -3.763 -3.803) 5.875 7.191 ( 2.746 3.122 -13.207) 13.846 7.304 ( -2.444 -6.773 -15.269) 16.882 7.674 ( 0.028 -0.310 -19.947) 19.950 7.675 ( 0.006 -0.388 -19.948) 19.952 12.245 ( 0.013 1.570 11.046) 11.157 12.247 ( -0.046 1.429 11.168) 11.259 12.639 ( -0.077 0.175 5.151) 5.155 12.642 ( -0.077 0.195 5.208) 5.213 14.287 ( 2.277 0.132 55.433) 55.480 14.357 ( 0.442 -4.424 55.035) 55.215 15.271 ( -4.854 4.225 -8.339) 10.534 15.355 ( -6.612 7.611 -3.057) 10.535 15.651 ( 8.167 -0.154 -13.660) 15.916 15.782 ( 0.885 -9.028 -7.888) 12.021 17.598 ( 0.326 1.041 -17.109) 17.144 17.632 ( -1.130 -2.164 -16.126) 16.309 ======================= Grid point 87 (36/60) ======================= q-point: (-0.50 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -1.076 3.668 8.674) 9.479 1.537 ( 1.076 3.668 8.674) 9.479 1.635 ( -3.868 7.533 10.471) 13.466 1.635 ( 3.868 7.533 10.471) 13.466 1.802 ( -4.900 -5.844 11.258) 13.598 1.802 ( 4.900 -5.844 11.258) 13.598 2.022 ( -4.209 7.247 2.710) 8.808 2.022 ( 4.209 7.247 2.710) 8.808 2.183 ( -1.502 13.036 3.638) 13.617 2.183 ( 1.502 13.036 3.638) 13.617 2.432 ( -1.947 -8.935 6.160) 11.026 2.432 ( 1.947 -8.935 6.160) 11.026 2.556 ( -2.661 -2.300 -2.242) 4.171 2.556 ( 2.661 -2.300 -2.242) 4.171 2.607 ( -5.167 4.463 -5.340) 8.668 2.607 ( 5.167 4.463 -5.340) 8.668 2.770 ( -1.587 -8.922 -6.912) 11.397 2.770 ( 1.587 -8.922 -6.912) 11.397 2.845 ( -1.769 2.708 -11.981) 12.410 2.845 ( 1.769 2.708 -11.981) 12.410 3.060 ( -4.412 -2.122 -6.245) 7.935 3.060 ( 4.412 -2.122 -6.245) 7.935 3.415 ( -0.875 -2.455 10.137) 10.467 3.415 ( 0.875 -2.455 10.137) 10.467 3.804 ( -0.575 -1.101 -8.214) 8.307 3.804 ( 0.575 -1.101 -8.214) 8.307 3.970 ( -0.649 1.757 15.465) 15.578 3.970 ( 0.649 1.757 15.465) 15.578 4.203 ( -5.981 11.466 3.958) 13.524 4.203 ( 5.981 11.466 3.958) 13.524 4.434 ( -4.671 -5.285 -4.272) 8.246 4.434 ( 4.671 -5.285 -4.272) 8.246 4.520 ( -2.222 3.307 6.119) 7.302 4.520 ( 2.222 3.307 6.119) 7.302 4.635 ( -1.826 -5.171 2.298) 5.946 4.635 ( 1.826 -5.171 2.298) 5.946 4.810 ( -0.724 0.071 33.828) 33.836 4.810 ( 0.724 0.071 33.828) 33.836 5.026 ( -0.739 1.230 2.080) 2.527 5.026 ( 0.739 1.230 2.080) 2.527 5.161 ( -0.620 2.024 -1.357) 2.514 5.161 ( 0.620 2.024 -1.357) 2.514 5.258 ( -1.902 -0.387 -3.288) 3.818 5.258 ( 1.902 -0.387 -3.288) 3.818 5.474 ( -3.878 -3.183 3.750) 6.263 5.474 ( 3.878 -3.183 3.750) 6.263 5.780 ( -2.075 1.082 -0.584) 2.412 5.780 ( 2.075 1.082 -0.584) 2.412 6.070 ( -0.530 0.556 -2.090) 2.227 6.070 ( 0.530 0.556 -2.090) 2.227 6.645 ( -4.680 4.208 0.974) 6.369 6.645 ( 4.680 4.208 0.974) 6.369 6.771 ( -2.176 1.843 -2.537) 3.817 6.771 ( 2.176 1.843 -2.537) 3.817 6.954 ( -1.786 -2.976 -2.611) 4.343 6.954 ( 1.786 -2.976 -2.611) 4.343 7.248 ( -3.241 -2.503 -13.175) 13.796 7.248 ( 3.241 -2.503 -13.175) 13.796 7.675 ( -0.027 -0.385 -19.945) 19.948 7.675 ( 0.027 -0.385 -19.945) 19.948 12.246 ( -0.055 1.492 11.112) 11.212 12.246 ( 0.055 1.492 11.112) 11.212 12.639 ( -0.138 0.184 5.170) 5.175 12.639 ( 0.138 0.184 5.170) 5.175 14.338 ( -2.505 -2.210 55.821) 55.921 14.338 ( 2.505 -2.210 55.821) 55.921 15.252 ( -3.073 4.991 -3.397) 6.775 15.252 ( 3.073 4.991 -3.397) 6.775 15.763 ( -3.419 -3.395 -13.772) 14.590 15.763 ( 3.419 -3.395 -13.772) 14.590 17.610 ( -1.027 -0.597 -16.431) 16.473 17.610 ( 1.027 -0.597 -16.431) 16.473 ======================= Grid point 105 (37/60) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 0.000 0.000 4.985) 4.985 0.916 ( 0.000 0.000 15.627) 15.627 0.970 ( 0.000 0.000 -4.791) 4.791 1.492 ( 0.000 0.000 -6.367) 6.367 1.566 ( 0.000 0.000 8.735) 8.735 1.700 ( 0.000 0.000 3.389) 3.389 1.785 ( 0.000 0.000 3.838) 3.838 1.789 ( 0.000 0.000 -1.993) 1.993 2.231 ( 0.000 0.000 4.992) 4.992 2.286 ( 0.000 0.000 0.236) 0.236 2.404 ( 0.000 0.000 -0.698) 0.698 2.444 ( 0.000 0.000 0.081) 0.081 2.587 ( 0.000 0.000 7.744) 7.744 2.595 ( 0.000 0.000 -5.371) 5.371 2.704 ( 0.000 0.000 0.734) 0.734 2.832 ( 0.000 0.000 27.787) 27.787 2.927 ( 0.000 0.000 -2.002) 2.002 2.982 ( 0.000 0.000 -3.512) 3.512 3.018 ( 0.000 0.000 4.062) 4.062 3.068 ( 0.000 0.000 7.336) 7.336 3.279 ( 0.000 0.000 3.573) 3.573 3.327 ( 0.000 0.000 4.547) 4.547 3.347 ( 0.000 0.000 1.082) 1.082 3.480 ( 0.000 0.000 -2.082) 2.082 3.615 ( 0.000 0.000 -1.553) 1.553 3.678 ( 0.000 0.000 5.702) 5.702 3.696 ( 0.000 0.000 -8.226) 8.226 3.883 ( 0.000 0.000 -14.243) 14.243 4.016 ( 0.000 0.000 -6.402) 6.402 4.174 ( 0.000 0.000 -20.401) 20.401 4.243 ( 0.000 0.000 4.679) 4.679 4.337 ( 0.000 0.000 0.875) 0.875 4.558 ( 0.000 0.000 10.793) 10.793 4.810 ( 0.000 0.000 0.063) 0.063 4.813 ( 0.000 0.000 13.937) 13.937 4.850 ( 0.000 0.000 -0.219) 0.219 4.935 ( 0.000 0.000 -0.693) 0.693 4.973 ( 0.000 0.000 -3.473) 3.473 5.003 ( 0.000 0.000 -9.286) 9.286 5.041 ( 0.000 0.000 11.492) 11.492 5.070 ( 0.000 0.000 8.237) 8.237 5.221 ( 0.000 0.000 -3.945) 3.945 5.347 ( 0.000 0.000 -5.408) 5.408 5.399 ( 0.000 0.000 -6.992) 6.992 5.590 ( 0.000 0.000 -0.866) 0.866 5.629 ( 0.000 0.000 36.900) 36.900 5.788 ( 0.000 0.000 19.639) 19.639 5.827 ( 0.000 0.000 3.257) 3.257 5.866 ( 0.000 0.000 6.228) 6.228 5.982 ( 0.000 0.000 4.479) 4.479 6.366 ( 0.000 0.000 6.305) 6.305 6.467 ( 0.000 0.000 3.513) 3.513 6.621 ( 0.000 0.000 -5.298) 5.298 6.687 ( 0.000 0.000 -5.616) 5.616 6.949 ( 0.000 0.000 2.756) 2.756 7.009 ( 0.000 0.000 -1.320) 1.320 7.102 ( 0.000 0.000 -9.981) 9.981 7.227 ( 0.000 0.000 -27.958) 27.958 7.272 ( 0.000 0.000 -16.640) 16.640 7.384 ( 0.000 0.000 -10.998) 10.998 12.321 ( 0.000 0.000 10.756) 10.756 12.348 ( 0.000 0.000 12.108) 12.108 12.625 ( 0.000 0.000 -1.972) 1.972 12.661 ( 0.000 0.000 -1.114) 1.114 14.550 ( 0.000 0.000 -0.891) 0.891 14.659 ( 0.000 0.000 11.849) 11.849 14.712 ( 0.000 0.000 -3.530) 3.530 15.432 ( 0.000 0.000 -22.835) 22.835 15.801 ( 0.000 0.000 41.895) 41.895 17.035 ( 0.000 0.000 12.273) 12.273 17.157 ( 0.000 0.000 -24.196) 24.196 17.565 ( 0.000 0.000 -12.204) 12.204 ======================= Grid point 106 (38/60) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 2.347 0.000 12.858) 13.070 0.980 ( 0.763 0.000 -1.537) 1.716 1.039 ( 12.477 0.000 1.313) 12.546 1.462 ( -4.137 0.000 -6.954) 8.091 1.573 ( 1.161 0.000 8.461) 8.540 1.706 ( 0.921 0.000 2.676) 2.830 1.730 ( -5.927 0.000 1.246) 6.056 1.780 ( -1.036 0.000 2.416) 2.629 2.167 ( -3.048 0.000 3.209) 4.426 2.267 ( -1.385 0.000 0.307) 1.418 2.303 ( -6.678 0.000 -1.045) 6.760 2.380 ( -9.950 0.000 -2.278) 10.207 2.604 ( 1.720 0.000 5.083) 5.367 2.614 ( 11.296 0.000 2.378) 11.544 2.741 ( -4.237 0.000 16.162) 16.708 2.909 ( -2.455 0.000 -2.307) 3.369 3.006 ( 14.964 0.000 3.820) 15.444 3.015 ( -0.191 0.000 6.082) 6.085 3.046 ( -1.842 0.000 10.403) 10.565 3.071 ( 7.858 0.000 6.010) 9.893 3.277 ( 0.634 0.000 3.296) 3.356 3.332 ( -1.409 0.000 2.276) 2.677 3.339 ( -0.327 0.000 2.592) 2.613 3.462 ( -1.885 0.000 -1.124) 2.194 3.587 ( -2.284 0.000 -4.651) 5.182 3.664 ( -4.250 0.000 -10.838) 11.642 3.703 ( 3.134 0.000 2.559) 4.046 3.857 ( -2.736 0.000 -12.713) 13.004 4.049 ( 4.229 0.000 -4.510) 6.182 4.180 ( 0.688 0.000 -16.716) 16.730 4.230 ( -1.302 0.000 1.392) 1.906 4.289 ( -5.028 0.000 -0.006) 5.028 4.588 ( 3.228 0.000 12.152) 12.573 4.756 ( -3.988 0.000 11.632) 12.297 4.852 ( 2.401 0.000 2.082) 3.178 4.856 ( 0.721 0.000 -0.765) 1.051 4.924 ( -2.907 0.000 -3.954) 4.908 4.927 ( -1.000 0.000 -0.137) 1.009 5.044 ( 0.397 0.000 10.014) 10.022 5.066 ( -0.399 0.000 8.114) 8.123 5.072 ( 5.064 0.000 -8.169) 9.612 5.220 ( -0.960 0.000 -6.473) 6.544 5.357 ( 1.061 0.000 -5.322) 5.427 5.395 ( -0.539 0.000 -6.837) 6.858 5.612 ( 2.724 0.000 0.831) 2.848 5.648 ( 1.957 0.000 36.521) 36.574 5.761 ( -2.807 0.000 28.710) 28.847 5.787 ( -4.037 0.000 3.444) 5.307 5.879 ( 1.652 0.000 0.483) 1.721 5.965 ( -1.748 0.000 3.240) 3.681 6.376 ( 1.039 0.000 5.810) 5.902 6.445 ( -2.023 0.000 3.820) 4.322 6.614 ( -0.525 0.000 -4.940) 4.968 6.643 ( -2.658 0.000 -4.728) 5.424 7.028 ( 1.804 0.000 -2.796) 3.328 7.065 ( 9.485 0.000 -1.575) 9.614 7.092 ( -1.038 0.000 -9.116) 9.175 7.235 ( 0.765 0.000 -25.897) 25.908 7.267 ( -0.571 0.000 -17.926) 17.935 7.347 ( -3.937 0.000 -9.972) 10.721 12.325 ( 0.429 0.000 11.000) 11.009 12.345 ( -0.353 0.000 11.876) 11.882 12.631 ( 0.597 0.000 -1.829) 1.924 12.656 ( -0.448 0.000 -1.222) 1.302 14.565 ( 1.519 0.000 0.926) 1.779 14.642 ( -1.709 0.000 9.926) 10.072 14.795 ( 8.553 0.000 -4.382) 9.610 15.262 ( -13.325 0.000 -10.558) 17.000 16.032 ( 19.630 0.000 29.303) 35.271 16.858 ( -17.615 0.000 16.231) 23.953 17.216 ( 6.041 0.000 -22.425) 23.225 17.505 ( -6.091 0.000 -13.960) 15.231 ======================= Grid point 107 (39/60) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -1.156 0.000 5.975) 6.085 0.980 ( 1.156 0.000 5.975) 6.085 1.299 ( -13.099 0.000 -5.121) 14.064 1.299 ( 13.099 0.000 -5.121) 14.064 1.622 ( -4.268 0.000 6.909) 8.121 1.622 ( 4.268 0.000 6.909) 8.121 1.741 ( -2.585 0.000 1.401) 2.940 1.741 ( 2.585 0.000 1.401) 2.940 2.185 ( -4.731 0.000 1.010) 4.838 2.185 ( 4.731 0.000 1.010) 4.838 2.270 ( -2.448 0.000 -1.540) 2.893 2.270 ( 2.448 0.000 -1.540) 2.893 2.659 ( -3.977 0.000 9.103) 9.934 2.659 ( 3.977 0.000 9.103) 9.934 2.808 ( -8.476 0.000 0.589) 8.496 2.808 ( 8.476 0.000 0.589) 8.496 3.019 ( -0.809 0.000 10.061) 10.093 3.019 ( 0.809 0.000 10.061) 10.093 3.171 ( -3.194 0.000 10.787) 11.250 3.171 ( 3.194 0.000 10.787) 11.250 3.307 ( -2.292 0.000 2.317) 3.259 3.307 ( 2.292 0.000 2.317) 3.259 3.376 ( -7.503 0.000 0.345) 7.511 3.376 ( 7.503 0.000 0.345) 7.511 3.577 ( -2.553 0.000 -12.522) 12.779 3.577 ( 2.553 0.000 -12.522) 12.779 3.785 ( -4.719 0.000 -6.160) 7.760 3.785 ( 4.719 0.000 -6.160) 7.760 4.166 ( -7.353 0.000 -1.646) 7.535 4.166 ( 7.353 0.000 -1.646) 7.535 4.201 ( -1.538 0.000 -7.490) 7.646 4.201 ( 1.538 0.000 -7.490) 7.646 4.669 ( -4.963 0.000 13.079) 13.989 4.669 ( 4.963 0.000 13.079) 13.989 4.879 ( -1.809 0.000 -2.211) 2.857 4.879 ( 1.809 0.000 -2.211) 2.857 4.896 ( -2.164 0.000 0.401) 2.201 4.896 ( 2.164 0.000 0.401) 2.201 5.056 ( -0.693 0.000 8.297) 8.326 5.056 ( 0.693 0.000 8.297) 8.326 5.167 ( -4.468 0.000 -8.358) 9.477 5.167 ( 4.468 0.000 -8.358) 9.477 5.379 ( -1.073 0.000 -6.338) 6.428 5.379 ( 1.073 0.000 -6.338) 6.428 5.693 ( -5.398 0.000 3.131) 6.240 5.693 ( 5.398 0.000 3.131) 6.240 5.699 ( -3.343 0.000 34.733) 34.893 5.699 ( 3.343 0.000 34.733) 34.893 5.922 ( -2.580 0.000 0.498) 2.628 5.922 ( 2.580 0.000 0.498) 2.628 6.405 ( -2.007 0.000 4.727) 5.135 6.405 ( 2.007 0.000 4.727) 5.135 6.613 ( -0.656 0.000 -4.766) 4.811 6.613 ( 0.656 0.000 -4.766) 4.811 7.065 ( -1.837 0.000 -6.251) 6.515 7.065 ( 1.837 0.000 -6.251) 6.515 7.235 ( -7.927 0.000 -6.769) 10.424 7.235 ( 7.927 0.000 -6.769) 10.424 7.252 ( -0.934 0.000 -21.538) 21.558 7.252 ( 0.934 0.000 -21.538) 21.558 12.336 ( -0.623 0.000 11.444) 11.461 12.336 ( 0.623 0.000 11.444) 11.461 12.645 ( -0.747 0.000 -1.509) 1.683 12.645 ( 0.747 0.000 -1.509) 1.683 14.602 ( -2.281 0.000 5.374) 5.838 14.602 ( 2.281 0.000 5.374) 5.838 15.006 ( -13.225 0.000 -6.391) 14.688 15.006 ( 13.225 0.000 -6.391) 14.688 16.451 ( -23.815 0.000 23.036) 33.133 16.451 ( 23.815 0.000 23.036) 33.133 17.360 ( -8.571 0.000 -18.186) 20.105 17.360 ( 8.571 0.000 -18.186) 20.105 ======================= Grid point 110 (40/60) ======================= q-point: ( 0.00 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 0.000 11.591 4.013) 12.266 1.132 ( 0.000 13.494 -4.466) 14.214 1.151 ( 0.000 18.914 9.211) 21.037 1.519 ( 0.000 2.998 -2.107) 3.664 1.617 ( 0.000 5.157 8.631) 10.054 1.794 ( 0.000 8.539 2.174) 8.811 1.871 ( 0.000 7.516 0.131) 7.518 1.928 ( 0.000 10.453 0.547) 10.467 2.149 ( 0.000 -4.979 5.687) 7.559 2.342 ( 0.000 0.632 3.198) 3.260 2.375 ( 0.000 -2.484 3.275) 4.110 2.437 ( 0.000 -0.667 1.701) 1.827 2.568 ( 0.000 -0.379 2.459) 2.488 2.599 ( 0.000 -1.681 -4.091) 4.422 2.664 ( 0.000 -2.783 1.898) 3.369 2.819 ( 0.000 -1.846 17.492) 17.590 2.851 ( 0.000 -8.209 2.462) 8.570 2.905 ( 0.000 -7.739 5.747) 9.640 2.949 ( 0.000 -1.371 -1.624) 2.126 2.981 ( 0.000 -1.486 -3.553) 3.852 3.169 ( 0.000 -7.070 0.748) 7.110 3.239 ( 0.000 -9.923 1.658) 10.061 3.507 ( 0.000 1.143 5.295) 5.417 3.542 ( 0.000 10.784 -0.047) 10.784 3.665 ( 0.000 12.930 -2.534) 13.176 3.706 ( 0.000 0.666 1.239) 1.406 3.761 ( 0.000 -5.823 -17.413) 18.360 3.916 ( 0.000 10.112 4.566) 11.095 4.026 ( 0.000 -10.530 -9.995) 14.518 4.094 ( 0.000 5.236 -4.496) 6.902 4.232 ( 0.000 0.080 3.178) 3.179 4.396 ( 0.000 2.561 -8.675) 9.045 4.564 ( 0.000 0.412 10.758) 10.766 4.782 ( 0.000 -2.323 1.420) 2.723 4.792 ( 0.000 -1.787 13.997) 14.110 4.849 ( 0.000 -0.447 0.078) 0.454 4.928 ( 0.000 -0.344 -1.152) 1.203 4.990 ( 0.000 1.244 -3.864) 4.060 4.995 ( 0.000 -0.135 -5.211) 5.213 5.084 ( 0.000 3.603 3.107) 4.758 5.094 ( 0.000 2.192 7.947) 8.244 5.244 ( 0.000 1.255 -2.532) 2.826 5.414 ( 0.000 1.080 -6.693) 6.780 5.437 ( 0.000 6.328 -1.092) 6.421 5.590 ( 0.000 0.721 1.467) 1.635 5.631 ( 0.000 0.263 37.564) 37.565 5.788 ( 0.000 -0.253 22.764) 22.765 5.834 ( 0.000 0.564 3.690) 3.733 5.882 ( 0.000 1.664 -0.464) 1.727 5.984 ( 0.000 0.412 3.527) 3.551 6.396 ( 0.000 2.746 5.925) 6.530 6.524 ( 0.000 4.886 2.254) 5.381 6.636 ( 0.000 1.674 -4.863) 5.143 6.717 ( 0.000 2.859 -5.613) 6.299 6.916 ( 0.000 -2.969 2.282) 3.745 6.992 ( 0.000 -1.748 -0.829) 1.935 7.091 ( 0.000 -1.133 -8.108) 8.187 7.219 ( 0.000 -0.761 -28.053) 28.063 7.252 ( 0.000 -1.824 -18.985) 19.073 7.346 ( 0.000 -3.531 -10.680) 11.249 12.350 ( 0.000 2.569 10.914) 11.212 12.374 ( 0.000 2.295 12.025) 12.242 12.645 ( 0.000 1.720 -1.411) 2.224 12.672 ( 0.000 0.969 -0.621) 1.151 14.656 ( 0.000 9.504 -2.062) 9.725 14.725 ( 0.000 5.956 10.861) 12.387 14.756 ( 0.000 4.023 -1.731) 4.379 15.400 ( 0.000 -2.933 -19.809) 20.025 15.775 ( 0.000 -2.241 41.131) 41.192 16.840 ( 0.000 -16.787 17.765) 24.442 17.148 ( 0.000 -0.712 -24.727) 24.737 17.512 ( 0.000 -4.776 -14.208) 14.989 ======================= Grid point 111 (41/60) ======================= q-point: ( 0.25 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 3.294 11.122 6.425) 13.260 1.138 ( 0.515 13.583 -0.424) 13.599 1.220 ( 6.918 15.250 1.185) 16.788 1.490 ( -3.330 3.123 -3.477) 5.738 1.629 ( 1.360 5.017 8.533) 9.991 1.795 ( -0.636 7.941 3.126) 8.558 1.807 ( -5.895 6.762 0.141) 8.971 1.883 ( -3.737 7.810 1.602) 8.805 2.139 ( 1.427 -0.737 5.082) 5.330 2.299 ( -3.643 0.483 -0.662) 3.734 2.334 ( -1.288 3.690 4.118) 5.678 2.452 ( -7.495 4.802 -2.452) 9.233 2.568 ( 2.438 -2.652 5.113) 6.255 2.579 ( 7.322 -2.692 2.406) 8.164 2.692 ( -3.612 -4.873 8.853) 10.731 2.856 ( -0.359 -6.782 6.321) 9.278 2.876 ( -0.209 -9.326 6.911) 11.610 2.925 ( 0.055 -1.844 1.555) 2.412 2.969 ( 10.343 -5.825 -2.521) 12.135 3.053 ( 5.652 -3.227 2.878) 7.117 3.180 ( 0.638 -6.343 1.825) 6.631 3.218 ( -2.239 -10.081 0.780) 10.356 3.493 ( 0.422 9.186 3.100) 9.704 3.589 ( 2.779 4.333 -1.821) 5.460 3.640 ( -1.594 11.398 -1.674) 11.630 3.689 ( -3.500 2.957 -2.166) 5.069 3.761 ( 0.112 -5.022 -15.630) 16.417 3.858 ( -4.765 3.889 -2.803) 6.759 4.021 ( -0.839 -3.695 -0.973) 3.912 4.055 ( -1.449 -1.563 0.728) 2.252 4.277 ( 3.179 3.688 -1.566) 5.115 4.379 ( -1.807 3.874 -8.507) 9.521 4.597 ( 3.168 0.609 11.454) 11.900 4.740 ( -3.217 -1.375 10.228) 10.810 4.818 ( 1.712 -2.386 4.006) 4.967 4.856 ( 0.565 -0.935 0.527) 1.213 4.915 ( -1.291 -0.364 -1.542) 2.044 4.934 ( -2.390 0.857 -4.145) 4.861 5.054 ( 2.167 1.109 1.932) 3.107 5.087 ( -0.266 2.132 5.369) 5.783 5.112 ( 2.932 2.740 -0.756) 4.083 5.234 ( -1.395 0.471 -4.033) 4.293 5.419 ( 0.499 2.142 -6.663) 7.016 5.436 ( -0.144 5.632 -2.688) 6.242 5.616 ( 2.808 0.681 6.953) 7.529 5.652 ( 2.235 0.524 32.764) 32.844 5.756 ( -3.128 -0.540 26.781) 26.968 5.797 ( -3.629 0.865 5.187) 6.390 5.897 ( 1.559 1.665 -2.019) 3.046 5.970 ( -1.450 0.639 2.321) 2.810 6.408 ( 1.280 2.972 5.431) 6.322 6.496 ( -2.614 4.508 2.944) 5.985 6.630 ( -0.440 1.652 -4.600) 4.907 6.664 ( -3.094 1.874 -4.118) 5.481 6.994 ( 3.578 -2.909 -2.372) 5.186 7.052 ( 7.384 -1.277 -2.463) 7.888 7.080 ( -0.973 -1.346 -7.032) 7.225 7.224 ( 0.416 -1.041 -25.967) 25.992 7.249 ( -0.266 -1.580 -19.934) 19.998 7.314 ( -3.435 -3.103 -10.106) 11.115 12.353 ( 0.376 2.525 11.112) 11.402 12.371 ( -0.322 2.315 11.839) 12.068 12.650 ( 0.432 1.577 -1.266) 2.068 12.668 ( -0.345 1.049 -0.713) 1.314 14.665 ( 0.910 8.960 -0.056) 9.006 14.712 ( -1.149 6.168 8.903) 10.892 14.835 ( 7.792 3.624 -2.664) 8.997 15.254 ( -11.743 -0.667 -9.436) 15.079 15.972 ( 17.171 -5.172 30.639) 35.501 16.690 ( -15.009 -14.535 20.428) 29.221 17.201 ( 5.356 -1.336 -23.153) 23.802 17.458 ( -5.473 -4.212 -15.717) 17.167 ======================= Grid point 112 (42/60) ======================= q-point: (-0.50 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -1.702 12.519 4.767) 13.504 1.131 ( 1.702 12.519 4.767) 13.504 1.378 ( -8.499 7.089 -5.287) 12.265 1.378 ( 8.499 7.089 -5.287) 12.265 1.680 ( -4.671 5.000 7.677) 10.284 1.680 ( 4.671 5.000 7.677) 10.284 1.821 ( -2.365 7.398 1.266) 7.870 1.821 ( 2.365 7.398 1.266) 7.870 2.221 ( -5.803 3.350 3.220) 7.434 2.221 ( 5.803 3.350 3.220) 7.434 2.336 ( -2.905 5.257 -1.941) 6.312 2.336 ( 2.905 5.257 -1.941) 6.312 2.610 ( -3.542 -4.151 7.062) 8.924 2.610 ( 3.542 -4.151 7.062) 8.924 2.764 ( -8.503 -5.055 4.050) 10.690 2.764 ( 8.503 -5.055 4.050) 10.690 2.892 ( -1.364 -6.347 6.056) 8.878 2.892 ( 1.364 -6.347 6.056) 8.878 3.142 ( -2.177 -4.504 6.603) 8.284 3.142 ( 2.177 -4.504 6.603) 8.284 3.167 ( -3.932 -9.812 -3.487) 11.131 3.167 ( 3.932 -9.812 -3.487) 11.131 3.551 ( -5.929 10.986 0.110) 12.484 3.551 ( 5.929 10.986 0.110) 12.484 3.634 ( -1.114 4.455 -3.821) 5.974 3.634 ( 1.114 4.455 -3.821) 5.974 3.782 ( -2.718 -2.326 -12.318) 12.827 3.782 ( 2.718 -2.326 -12.318) 12.827 4.031 ( -1.504 -2.809 5.469) 6.329 4.031 ( 1.504 -2.809 5.469) 6.329 4.333 ( -2.864 5.380 -6.454) 8.877 4.333 ( 2.864 5.380 -6.454) 8.877 4.668 ( -4.167 -0.050 11.705) 12.424 4.668 ( 4.167 -0.050 11.705) 12.424 4.851 ( -1.464 -2.568 1.602) 3.362 4.851 ( 1.464 -2.568 1.602) 3.362 4.904 ( -0.762 0.979 -3.015) 3.261 4.904 ( 0.762 0.979 -3.015) 3.261 5.077 ( -0.763 2.024 5.856) 6.243 5.077 ( 0.763 2.024 5.856) 6.243 5.183 ( -3.820 0.684 -5.398) 6.648 5.183 ( 3.820 0.684 -5.398) 6.648 5.429 ( -0.533 4.089 -5.479) 6.857 5.429 ( 0.533 4.089 -5.479) 6.857 5.685 ( -4.043 -0.621 24.031) 24.377 5.685 ( 4.043 -0.621 24.031) 24.377 5.716 ( -4.364 1.467 14.020) 14.757 5.716 ( 4.364 1.467 14.020) 14.757 5.934 ( -2.186 1.184 -0.469) 2.530 5.934 ( 2.186 1.184 -0.469) 2.530 6.444 ( -2.525 3.625 4.251) 6.131 6.444 ( 2.525 3.625 4.251) 6.131 6.630 ( -0.672 1.611 -4.274) 4.617 6.630 ( 0.672 1.611 -4.274) 4.617 7.046 ( -2.275 -1.790 -5.378) 6.108 7.046 ( 2.275 -1.790 -5.378) 6.108 7.199 ( -5.956 -2.913 -8.957) 11.144 7.199 ( 5.956 -2.913 -8.957) 11.144 7.247 ( -0.889 -0.869 -20.453) 20.491 7.247 ( 0.889 -0.869 -20.453) 20.491 12.362 ( -0.548 2.409 11.481) 11.744 12.362 ( 0.548 2.409 11.481) 11.744 12.659 ( -0.559 1.281 -0.963) 1.698 12.659 ( 0.559 1.281 -0.963) 1.698 14.687 ( -1.371 7.537 4.543) 8.907 14.687 ( 1.371 7.537 4.543) 8.907 15.026 ( -11.939 1.820 -5.091) 13.106 15.026 ( 11.939 1.820 -5.091) 13.106 16.339 ( -20.738 -9.750 25.260) 34.106 16.339 ( 20.738 -9.750 25.260) 34.106 17.329 ( -7.643 -2.804 -19.404) 21.042 17.329 ( 7.643 -2.804 -19.404) 21.042 ======================= Grid point 115 (43/60) ======================= q-point: ( 0.00 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 0.000 14.280 3.141) 14.621 1.457 ( 0.000 15.887 -4.228) 16.440 1.580 ( 0.000 18.607 1.337) 18.655 1.636 ( 0.000 8.616 1.748) 8.791 1.728 ( 0.000 4.277 10.380) 11.227 2.015 ( 0.000 10.357 2.862) 10.745 2.040 ( 0.000 -4.756 6.658) 8.183 2.059 ( 0.000 9.312 -2.072) 9.540 2.144 ( 0.000 8.659 -0.239) 8.663 2.269 ( 0.000 -5.940 4.318) 7.343 2.314 ( 0.000 -2.690 8.105) 8.540 2.402 ( 0.000 -2.725 6.264) 6.831 2.495 ( 0.000 -4.188 -2.244) 4.751 2.566 ( 0.000 -2.608 2.078) 3.335 2.651 ( 0.000 2.283 -3.320) 4.029 2.674 ( 0.000 -7.918 0.076) 7.919 2.712 ( 0.000 -9.078 3.858) 9.864 2.856 ( 0.000 1.583 -4.332) 4.612 2.871 ( 0.000 -4.897 -1.757) 5.203 2.974 ( 0.000 -7.265 6.295) 9.613 2.984 ( 0.000 -5.112 -6.409) 8.198 3.073 ( 0.000 -1.505 6.587) 6.757 3.596 ( 0.000 -1.120 -6.834) 6.925 3.618 ( 0.000 0.270 -5.359) 5.365 3.644 ( 0.000 -5.004 -13.560) 14.454 3.731 ( 0.000 2.207 10.906) 11.127 3.893 ( 0.000 2.495 4.450) 5.102 3.931 ( 0.000 10.493 -9.011) 13.831 4.117 ( 0.000 7.669 7.032) 10.405 4.210 ( 0.000 5.650 2.024) 6.001 4.240 ( 0.000 0.087 0.369) 0.380 4.424 ( 0.000 0.261 -10.257) 10.260 4.578 ( 0.000 1.155 10.159) 10.224 4.725 ( 0.000 -2.857 3.864) 4.805 4.754 ( 0.000 -1.416 12.755) 12.834 4.820 ( 0.000 -2.177 2.349) 3.203 4.929 ( 0.000 0.453 -3.200) 3.232 4.993 ( 0.000 -0.452 -7.621) 7.634 5.019 ( 0.000 1.575 -5.338) 5.566 5.150 ( 0.000 1.280 -2.870) 3.142 5.156 ( 0.000 3.439 7.135) 7.921 5.252 ( 0.000 0.053 2.331) 2.331 5.436 ( 0.000 1.292 -5.474) 5.624 5.537 ( 0.000 2.547 6.684) 7.153 5.641 ( 0.000 0.588 39.487) 39.491 5.647 ( 0.000 4.352 7.265) 8.468 5.766 ( 0.000 -1.776 22.155) 22.226 5.844 ( 0.000 0.162 4.800) 4.803 5.937 ( 0.000 3.301 -6.004) 6.851 6.003 ( 0.000 1.218 0.503) 1.318 6.476 ( 0.000 4.721 5.162) 6.995 6.630 ( 0.000 4.475 -0.844) 4.554 6.709 ( 0.000 5.476 -3.243) 6.364 6.804 ( 0.000 5.211 -6.358) 8.221 6.832 ( 0.000 -4.829 2.524) 5.449 6.933 ( 0.000 -3.772 -0.607) 3.821 7.050 ( 0.000 -2.896 -4.070) 4.995 7.199 ( 0.000 -0.983 -28.257) 28.274 7.200 ( 0.000 -3.453 -22.015) 22.284 7.244 ( 0.000 -5.195 -12.500) 13.536 12.417 ( 0.000 3.484 11.142) 11.675 12.434 ( 0.000 3.052 11.738) 12.128 12.686 ( 0.000 1.821 -0.117) 1.825 12.696 ( 0.000 1.146 0.460) 1.235 14.864 ( 0.000 5.703 2.759) 6.335 14.879 ( 0.000 7.622 9.592) 12.252 14.909 ( 0.000 13.161 -4.953) 14.062 15.320 ( 0.000 -4.283 -13.103) 13.785 15.729 ( 0.000 -1.231 39.158) 39.177 16.425 ( 0.000 -20.628 25.625) 32.896 17.137 ( 0.000 0.009 -25.720) 25.720 17.383 ( 0.000 -6.861 -18.808) 20.020 ======================= Grid point 116 (44/60) ======================= q-point: ( 0.25 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 2.550 13.616 3.614) 14.316 1.463 ( -0.047 15.799 -1.394) 15.860 1.566 ( -1.338 12.423 -1.327) 12.565 1.617 ( -1.633 11.336 -1.159) 11.512 1.739 ( 1.559 4.868 10.616) 11.782 1.932 ( -8.835 3.711 5.089) 10.851 2.022 ( -0.046 9.782 1.264) 9.864 2.034 ( -0.573 7.920 0.483) 7.955 2.185 ( 5.463 4.655 3.368) 7.929 2.314 ( 1.465 0.619 7.891) 8.050 2.340 ( 2.534 -3.316 11.163) 11.917 2.465 ( 5.120 -2.012 -0.456) 5.520 2.531 ( 2.068 -4.567 1.207) 5.157 2.574 ( -4.652 1.669 -2.997) 5.780 2.597 ( -1.695 -0.304 -3.706) 4.086 2.691 ( 0.321 -7.233 4.057) 8.299 2.730 ( 2.876 -6.511 5.132) 8.775 2.826 ( 0.960 -4.343 -4.022) 5.997 2.880 ( 0.025 -7.545 -2.512) 7.952 2.922 ( -4.307 -5.051 1.900) 6.904 2.975 ( 0.062 -9.696 -1.990) 9.898 3.104 ( 0.805 -2.497 3.431) 4.319 3.598 ( 0.290 -5.072 -14.041) 14.932 3.612 ( -0.423 -2.593 -11.113) 11.419 3.660 ( 0.682 -2.287 -1.964) 3.090 3.700 ( -2.852 0.825 7.313) 7.893 3.863 ( -1.640 6.879 1.328) 7.195 3.930 ( -1.450 11.965 -5.830) 13.388 4.090 ( -1.905 5.517 6.770) 8.938 4.139 ( -1.224 7.162 7.509) 10.449 4.348 ( 5.112 2.654 -1.443) 5.938 4.430 ( 0.207 1.038 -8.432) 8.499 4.612 ( 3.053 0.930 10.262) 10.747 4.707 ( -1.495 -1.625 7.304) 7.631 4.767 ( 1.004 -2.165 8.446) 8.776 4.814 ( -0.759 -2.598 3.102) 4.116 4.921 ( -0.462 0.646 -4.070) 4.147 4.954 ( -2.021 0.815 -5.945) 6.332 5.070 ( 2.936 0.348 -5.443) 6.194 5.137 ( -0.904 1.530 -0.446) 1.833 5.173 ( 1.309 2.686 3.803) 4.837 5.236 ( -1.550 0.425 2.629) 3.081 5.449 ( 1.569 0.477 -5.235) 5.486 5.528 ( -1.098 2.192 3.324) 4.130 5.643 ( 0.745 1.096 34.057) 34.083 5.684 ( 2.827 2.642 13.261) 13.814 5.736 ( -2.567 -0.953 24.011) 24.166 5.820 ( -2.460 1.057 5.155) 5.809 5.945 ( 0.886 2.717 -5.137) 5.879 5.993 ( -1.040 1.318 -0.493) 1.750 6.494 ( 1.946 5.039 4.476) 7.015 6.609 ( -2.443 5.578 0.455) 6.107 6.691 ( -1.390 4.101 -3.476) 5.552 6.712 ( -3.855 2.228 -2.208) 4.970 6.921 ( 4.403 -3.562 -1.896) 5.973 7.005 ( 5.430 -3.445 -2.162) 6.785 7.039 ( -0.493 -2.045 -5.242) 5.648 7.184 ( -1.641 -3.869 -18.373) 18.847 7.208 ( 0.461 -1.754 -25.589) 25.653 7.233 ( -1.018 -3.480 -16.825) 17.211 12.420 ( 0.247 3.416 11.244) 11.754 12.432 ( -0.241 3.093 11.643) 12.049 12.687 ( 0.123 1.676 0.021) 1.681 12.694 ( -0.158 1.229 0.388) 1.298 14.858 ( 0.346 6.318 7.081) 9.496 14.896 ( -0.898 10.983 -0.146) 11.020 14.950 ( 5.845 7.779 -0.065) 9.731 15.239 ( -7.252 -0.489 -7.572) 10.496 15.848 ( 11.123 -5.543 33.456) 35.689 16.327 ( -9.828 -18.119 26.660) 33.700 17.172 ( 3.550 -1.026 -24.644) 24.919 17.346 ( -3.773 -5.879 -19.751) 20.950 ======================= Grid point 117 (45/60) ======================= q-point: (-0.50 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -4.014 13.217 3.786) 14.323 1.420 ( 4.014 13.217 3.786) 14.323 1.576 ( -2.356 11.184 -5.242) 12.574 1.576 ( 2.356 11.184 -5.242) 12.574 1.799 ( -5.000 5.617 9.258) 11.928 1.799 ( 5.000 5.617 9.258) 11.928 2.026 ( -0.359 10.812 0.907) 10.856 2.026 ( 0.359 10.812 0.907) 10.856 2.289 ( -4.003 0.996 8.797) 9.716 2.289 ( 4.003 0.996 8.797) 9.716 2.431 ( -7.409 2.879 1.728) 8.135 2.431 ( 7.409 2.879 1.728) 8.135 2.538 ( -3.315 -0.671 -2.881) 4.443 2.538 ( 3.315 -0.671 -2.881) 4.443 2.632 ( -5.709 -5.487 3.405) 8.620 2.632 ( 5.709 -5.487 3.405) 8.620 2.794 ( -4.277 -4.225 6.476) 8.836 2.794 ( 4.277 -4.225 6.476) 8.836 2.901 ( -0.836 -13.089 -6.018) 14.430 2.901 ( 0.836 -13.089 -6.018) 14.430 3.042 ( -6.774 -5.877 -0.676) 8.994 3.042 ( 6.774 -5.877 -0.676) 8.994 3.607 ( -0.387 -6.371 -17.311) 18.451 3.607 ( 0.387 -6.371 -17.311) 18.451 3.659 ( -0.525 -0.905 6.640) 6.722 3.659 ( 0.525 -0.905 6.640) 6.722 3.876 ( -2.777 12.483 -3.221) 13.188 3.876 ( 2.777 12.483 -3.221) 13.188 4.108 ( -2.272 7.300 9.415) 12.129 4.108 ( 2.272 7.300 9.415) 12.129 4.415 ( -2.094 2.407 -4.604) 5.601 4.415 ( 2.094 2.407 -4.604) 5.601 4.669 ( -2.655 0.162 9.560) 9.923 4.669 ( 2.655 0.162 9.560) 9.923 4.791 ( -1.519 -2.894 4.816) 5.820 4.791 ( 1.519 -2.894 4.816) 5.820 4.925 ( -0.966 0.899 -5.054) 5.224 4.925 ( 0.966 0.899 -5.054) 5.224 5.113 ( -1.739 0.622 -2.900) 3.438 5.113 ( 1.739 0.622 -2.900) 3.438 5.202 ( -1.795 1.672 3.303) 4.114 5.202 ( 1.795 1.672 3.303) 4.114 5.493 ( -2.592 0.801 -3.469) 4.404 5.493 ( 2.592 0.801 -3.469) 4.404 5.671 ( -2.346 -0.494 33.702) 33.787 5.671 ( 2.346 -0.494 33.702) 33.787 5.760 ( -3.578 2.657 6.865) 8.184 5.760 ( 3.578 2.657 6.865) 8.184 5.968 ( -1.423 1.796 -2.895) 3.692 5.968 ( 1.423 1.796 -2.895) 3.692 6.547 ( -3.501 5.776 2.762) 7.297 6.547 ( 3.501 5.776 2.762) 7.297 6.678 ( -0.331 2.738 -2.997) 4.073 6.678 ( 0.331 2.738 -2.997) 4.073 6.991 ( -3.032 -3.294 -3.262) 5.540 6.991 ( 3.032 -3.294 -3.262) 5.540 7.123 ( -4.913 -4.104 -8.220) 10.418 7.123 ( 4.913 -4.104 -8.220) 10.418 7.217 ( -0.578 -1.702 -23.995) 24.062 7.217 ( 0.578 -1.702 -23.995) 24.062 12.426 ( -0.367 3.241 11.447) 11.903 12.426 ( 0.367 3.241 11.447) 11.903 12.690 ( -0.226 1.421 0.237) 1.459 12.690 ( 0.226 1.421 0.237) 1.459 14.874 ( -1.214 8.531 4.004) 9.502 14.874 ( 1.214 8.531 4.004) 9.502 15.087 ( -8.317 4.437 -3.245) 9.969 15.087 ( 8.317 4.437 -3.245) 9.969 16.094 ( -13.977 -12.212 29.110) 34.524 16.094 ( 13.977 -12.212 29.110) 34.524 17.258 ( -5.166 -3.481 -22.129) 22.989 17.258 ( 5.166 -3.481 -22.129) 22.989 ======================= Grid point 120 (46/60) ======================= q-point: ( 0.00 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 0.000 9.303 4.489) 10.329 1.710 ( 0.000 -1.825 8.994) 9.178 1.738 ( 0.000 8.600 -0.671) 8.626 1.774 ( 0.000 2.857 2.805) 4.004 1.977 ( 0.000 12.084 -2.298) 12.301 1.994 ( 0.000 1.756 2.266) 2.866 2.131 ( 0.000 -0.300 -0.863) 0.913 2.151 ( 0.000 -4.436 3.124) 5.426 2.163 ( 0.000 2.122 4.633) 5.096 2.302 ( 0.000 7.401 1.897) 7.640 2.318 ( 0.000 -6.204 2.435) 6.664 2.354 ( 0.000 6.760 0.739) 6.800 2.458 ( 0.000 -7.024 6.986) 9.906 2.505 ( 0.000 -8.100 -2.025) 8.349 2.530 ( 0.000 6.309 -4.884) 7.979 2.569 ( 0.000 -0.870 4.768) 4.847 2.641 ( 0.000 -4.605 -5.646) 7.285 2.714 ( 0.000 -10.066 3.576) 10.682 2.840 ( 0.000 1.175 -0.651) 1.344 2.874 ( 0.000 -0.682 -2.741) 2.825 3.004 ( 0.000 1.867 1.423) 2.348 3.048 ( 0.000 -1.749 5.339) 5.618 3.483 ( 0.000 -3.294 -18.456) 18.748 3.498 ( 0.000 -4.941 -16.112) 16.852 3.740 ( 0.000 4.997 5.769) 7.632 3.781 ( 0.000 1.279 9.428) 9.515 4.006 ( 0.000 5.023 -0.098) 5.024 4.055 ( 0.000 1.148 -7.966) 8.048 4.222 ( 0.000 1.782 8.102) 8.296 4.230 ( 0.000 -0.436 4.697) 4.717 4.321 ( 0.000 5.016 2.429) 5.573 4.404 ( 0.000 -2.394 -5.877) 6.346 4.617 ( 0.000 2.338 8.183) 8.511 4.668 ( 0.000 -2.501 6.199) 6.685 4.743 ( 0.000 0.471 9.908) 9.919 4.771 ( 0.000 -2.091 5.645) 6.020 4.946 ( 0.000 1.161 -5.674) 5.791 4.974 ( 0.000 -1.273 -7.571) 7.677 5.060 ( 0.000 2.413 -6.720) 7.140 5.120 ( 0.000 -2.970 -7.669) 8.224 5.225 ( 0.000 2.748 6.544) 7.097 5.258 ( 0.000 -0.278 7.087) 7.092 5.485 ( 0.000 3.296 -4.025) 5.202 5.546 ( 0.000 -1.624 3.054) 3.459 5.657 ( 0.000 1.063 40.066) 40.080 5.691 ( 0.000 -1.780 30.362) 30.414 5.768 ( 0.000 3.453 8.356) 9.041 5.830 ( 0.000 -1.781 6.176) 6.428 6.000 ( 0.000 2.251 -5.582) 6.019 6.022 ( 0.000 0.193 -2.912) 2.918 6.590 ( 0.000 5.939 4.369) 7.373 6.718 ( 0.000 -5.941 3.485) 6.888 6.727 ( 0.000 5.009 -1.511) 5.232 6.837 ( 0.000 -5.183 -0.886) 5.258 6.842 ( 0.000 6.599 -2.483) 7.051 6.926 ( 0.000 6.215 -8.177) 10.271 6.968 ( 0.000 -4.952 -2.269) 5.447 7.070 ( 0.000 -7.413 -10.688) 13.007 7.183 ( 0.000 -0.382 -28.229) 28.232 7.188 ( 0.000 -0.995 -26.503) 26.522 12.478 ( 0.000 1.856 11.206) 11.359 12.484 ( 0.000 1.285 11.364) 11.437 12.713 ( 0.000 0.638 1.033) 1.214 12.714 ( 0.000 0.469 1.253) 1.338 14.973 ( 0.000 4.051 8.498) 9.414 14.998 ( 0.000 2.530 10.487) 10.788 15.142 ( 0.000 7.475 -8.666) 11.445 15.237 ( 0.000 -3.387 -9.308) 9.905 15.774 ( 0.000 6.801 35.813) 36.453 16.027 ( 0.000 -16.339 30.194) 34.332 17.161 ( 0.000 2.528 -25.693) 25.817 17.247 ( 0.000 -5.574 -23.315) 23.972 ======================= Grid point 121 (47/60) ======================= q-point: ( 0.25 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 1.433 8.752 4.352) 9.879 1.705 ( -2.249 3.532 6.344) 7.601 1.745 ( 0.138 0.616 2.891) 2.959 1.754 ( 0.787 7.539 0.473) 7.595 1.950 ( -2.143 8.059 1.596) 8.490 1.983 ( -2.614 5.039 1.178) 5.798 2.111 ( 2.755 3.292 5.314) 6.831 2.182 ( 3.051 0.187 -4.615) 5.535 2.220 ( 0.592 -2.466 14.656) 14.874 2.302 ( -0.338 -1.236 -1.161) 1.729 2.374 ( 4.305 4.295 5.786) 8.394 2.403 ( 5.419 0.239 -4.622) 7.126 2.496 ( 2.165 -2.745 -0.773) 3.581 2.530 ( 3.848 -3.283 -0.195) 5.062 2.559 ( 2.956 -0.267 -2.098) 3.634 2.575 ( 1.763 -0.978 2.527) 3.232 2.644 ( 0.028 -4.492 -2.485) 5.134 2.711 ( -0.816 -8.327 5.407) 9.962 2.763 ( -6.846 -0.570 -0.402) 6.882 2.809 ( -5.500 -1.415 0.046) 5.679 2.938 ( -5.048 2.113 -2.265) 5.923 3.034 ( -3.553 -4.015 -0.479) 5.383 3.478 ( -0.393 -3.335 -17.714) 18.030 3.489 ( -0.820 -4.489 -16.616) 17.231 3.691 ( -3.427 1.721 8.137) 8.996 3.713 ( -4.793 0.072 8.550) 9.802 4.043 ( 2.792 7.155 -4.955) 9.140 4.101 ( 1.936 3.178 -9.532) 10.232 4.207 ( 0.449 4.785 7.699) 9.076 4.246 ( 1.565 1.761 9.401) 9.692 4.384 ( 4.148 1.301 2.796) 5.168 4.423 ( 1.548 -1.546 -3.214) 3.888 4.639 ( 2.164 1.607 8.197) 8.629 4.674 ( 0.588 -1.594 6.011) 6.246 4.739 ( -0.336 -0.218 10.060) 10.068 4.763 ( -1.025 -1.915 6.244) 6.611 4.934 ( -0.659 0.438 -5.880) 5.933 4.964 ( -1.208 0.191 -6.946) 7.053 5.080 ( 1.821 0.748 -6.683) 6.967 5.124 ( 0.133 -1.656 -7.501) 7.683 5.228 ( 0.358 2.203 6.277) 6.662 5.252 ( -0.654 0.137 6.752) 6.785 5.465 ( -1.133 1.697 -2.943) 3.581 5.524 ( -2.357 -2.106 -0.109) 3.163 5.659 ( 0.287 0.731 40.784) 40.791 5.682 ( -0.879 -1.394 35.854) 35.892 5.781 ( 1.352 3.251 5.719) 6.716 5.827 ( -0.463 -0.667 4.534) 4.606 5.997 ( -0.217 1.807 -5.357) 5.658 6.013 ( -0.815 0.296 -3.407) 3.516 6.611 ( 2.165 5.678 3.361) 6.944 6.712 ( -0.025 -2.390 1.160) 2.657 6.721 ( -1.209 4.023 -0.681) 4.256 6.775 ( -3.722 2.296 -2.545) 5.059 6.883 ( 2.172 0.335 -1.717) 2.789 6.922 ( 0.028 -3.015 -2.575) 3.965 7.008 ( 2.746 -0.511 -5.910) 6.537 7.065 ( -0.545 -5.730 -9.818) 11.380 7.185 ( 0.144 -0.543 -27.865) 27.870 7.189 ( 0.005 -1.033 -26.587) 26.607 12.479 ( 0.076 1.768 11.231) 11.370 12.483 ( -0.109 1.361 11.338) 11.420 12.711 ( -0.051 0.541 1.187) 1.305 12.714 ( -0.059 0.546 1.152) 1.276 14.950 ( 0.168 2.409 9.373) 9.679 15.044 ( -0.817 3.132 6.561) 7.316 15.124 ( 2.355 5.467 -4.954) 7.744 15.252 ( -0.020 1.525 -10.316) 10.428 15.798 ( 2.811 2.498 35.332) 35.532 15.981 ( -4.532 -13.744 30.874) 34.098 17.172 ( 1.134 1.326 -25.256) 25.316 17.233 ( -1.429 -4.395 -23.575) 24.024 ======================= Grid point 122 (48/60) ======================= q-point: (-0.50 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -3.163 7.289 4.174) 8.975 1.643 ( 3.163 7.289 4.174) 8.975 1.763 ( -0.637 2.952 2.348) 3.825 1.763 ( 0.637 2.952 2.348) 3.825 1.936 ( -1.348 8.257 2.468) 8.723 1.936 ( 1.348 8.257 2.468) 8.723 2.177 ( -3.010 1.490 5.528) 6.468 2.177 ( 3.010 1.490 5.528) 6.468 2.262 ( -3.277 -2.230 4.741) 6.179 2.262 ( 3.277 -2.230 4.741) 6.179 2.456 ( -1.121 0.304 -1.923) 2.247 2.456 ( 1.121 0.304 -1.923) 2.247 2.557 ( -5.207 2.188 1.291) 5.793 2.557 ( 5.207 2.188 1.291) 5.793 2.591 ( -2.283 -0.484 -2.812) 3.655 2.591 ( 2.283 -0.484 -2.812) 3.655 2.669 ( -2.827 -5.668 -1.551) 6.521 2.669 ( 2.827 -5.668 -1.551) 6.521 2.716 ( -2.175 -3.214 7.088) 8.081 2.716 ( 2.175 -3.214 7.088) 8.081 2.923 ( -5.605 -4.334 -6.686) 9.742 2.923 ( 5.605 -4.334 -6.686) 9.742 3.476 ( -0.315 -3.749 -16.808) 17.224 3.476 ( 0.315 -3.749 -16.808) 17.224 3.659 ( -0.567 0.030 9.085) 9.102 3.659 ( 0.567 0.030 9.085) 9.102 4.089 ( -2.014 6.269 -9.672) 11.700 4.089 ( 2.014 6.269 -9.672) 11.700 4.247 ( -1.800 4.347 10.175) 11.210 4.247 ( 1.800 4.347 10.175) 11.210 4.434 ( -0.911 -0.216 0.820) 1.244 4.434 ( 0.911 -0.216 0.820) 1.244 4.676 ( -1.042 0.451 7.038) 7.129 4.676 ( 1.042 0.451 7.038) 7.129 4.740 ( -0.845 -1.646 8.416) 8.617 4.740 ( 0.845 -1.646 8.416) 8.617 4.938 ( -1.108 0.280 -6.144) 6.250 4.938 ( 1.108 0.280 -6.144) 6.250 5.113 ( -1.382 -0.137 -6.873) 7.012 5.113 ( 1.382 -0.137 -6.873) 7.012 5.238 ( -0.695 1.081 6.179) 6.312 5.238 ( 0.695 1.081 6.179) 6.312 5.474 ( -2.190 -1.362 -2.364) 3.499 5.474 ( 2.190 -1.362 -2.364) 3.499 5.667 ( -0.587 0.006 40.564) 40.568 5.667 ( 0.587 0.006 40.564) 40.568 5.809 ( -1.388 1.431 3.562) 4.082 5.809 ( 1.388 1.431 3.562) 4.082 5.999 ( -0.490 0.873 -4.528) 4.637 5.999 ( 0.490 0.873 -4.528) 4.637 6.667 ( -3.605 4.758 1.214) 6.092 6.667 ( 3.605 4.758 1.214) 6.092 6.728 ( -1.432 1.305 -1.594) 2.509 6.728 ( 1.432 1.305 -1.594) 2.509 6.915 ( -1.074 -3.210 -1.506) 3.705 6.915 ( 1.074 -3.210 -1.506) 3.705 7.048 ( -1.443 -2.327 -7.712) 8.183 7.048 ( 1.443 -2.327 -7.712) 8.183 7.188 ( -0.118 -0.866 -27.133) 27.147 7.188 ( 0.118 -0.866 -27.133) 27.147 12.481 ( -0.132 1.558 11.284) 11.392 12.481 ( 0.132 1.558 11.284) 11.392 12.712 ( -0.129 0.533 1.196) 1.316 12.712 ( 0.129 0.533 1.196) 1.316 14.985 ( -3.258 2.112 6.689) 7.734 14.985 ( 3.258 2.112 6.689) 7.734 15.209 ( -4.330 5.181 -6.293) 9.230 15.209 ( 4.330 5.181 -6.293) 9.230 15.880 ( -5.558 -6.573 32.964) 34.069 15.880 ( 5.558 -6.573 32.964) 34.069 17.201 ( -1.812 -1.546 -24.325) 24.441 17.201 ( 1.812 -1.546 -24.325) 24.441 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 0.000 0.000 -0.363) 0.363 0.938 ( 0.000 0.000 0.363) 0.363 1.231 ( 0.000 0.000 -15.435) 15.435 1.231 ( 0.000 0.000 15.435) 15.435 1.698 ( 0.000 0.000 -3.697) 3.697 1.698 ( 0.000 0.000 3.697) 3.697 1.816 ( 0.000 0.000 -0.853) 0.853 1.816 ( 0.000 0.000 0.853) 0.853 2.288 ( 0.000 0.000 -0.303) 0.303 2.288 ( 0.000 0.000 0.303) 0.303 2.450 ( 0.000 0.000 -5.505) 5.505 2.450 ( 0.000 0.000 5.505) 5.505 2.486 ( 0.000 0.000 -5.908) 5.908 2.486 ( 0.000 0.000 5.908) 5.908 2.913 ( 0.000 0.000 -0.469) 0.469 2.913 ( 0.000 0.000 0.469) 0.469 2.980 ( 0.000 0.000 -8.498) 8.498 2.980 ( 0.000 0.000 8.498) 8.498 3.183 ( 0.000 0.000 -0.076) 0.076 3.183 ( 0.000 0.000 0.076) 0.076 3.349 ( 0.000 0.000 -1.780) 1.780 3.349 ( 0.000 0.000 1.780) 1.780 3.407 ( 0.000 0.000 -3.989) 3.989 3.407 ( 0.000 0.000 3.989) 3.989 3.627 ( 0.000 0.000 -3.831) 3.831 3.627 ( 0.000 0.000 3.831) 3.831 3.729 ( 0.000 0.000 -17.516) 17.516 3.729 ( 0.000 0.000 17.516) 17.516 3.875 ( 0.000 0.000 -7.135) 7.135 3.875 ( 0.000 0.000 7.135) 7.135 4.325 ( 0.000 0.000 -2.259) 2.259 4.325 ( 0.000 0.000 2.259) 2.259 4.787 ( 0.000 0.000 -11.528) 11.528 4.787 ( 0.000 0.000 11.528) 11.528 4.830 ( 0.000 0.000 -1.598) 1.598 4.830 ( 0.000 0.000 1.598) 1.598 4.930 ( 0.000 0.000 -0.605) 0.605 4.930 ( 0.000 0.000 0.605) 0.605 5.062 ( 0.000 0.000 -10.806) 10.806 5.062 ( 0.000 0.000 10.806) 10.806 5.237 ( 0.000 0.000 -7.392) 7.392 5.237 ( 0.000 0.000 7.392) 7.392 5.242 ( 0.000 0.000 -8.395) 8.395 5.242 ( 0.000 0.000 8.395) 8.395 5.646 ( 0.000 0.000 -6.900) 6.900 5.646 ( 0.000 0.000 6.900) 6.900 5.863 ( 0.000 0.000 -0.328) 0.328 5.863 ( 0.000 0.000 0.328) 0.328 6.480 ( 0.000 0.000 -8.562) 8.562 6.480 ( 0.000 0.000 8.562) 8.562 6.508 ( 0.000 0.000 -0.998) 0.998 6.508 ( 0.000 0.000 0.998) 0.998 6.528 ( 0.000 0.000 -35.285) 35.285 6.528 ( 0.000 0.000 35.285) 35.285 6.648 ( 0.000 0.000 -16.091) 16.091 6.648 ( 0.000 0.000 16.091) 16.091 6.998 ( 0.000 0.000 -1.933) 1.933 6.998 ( 0.000 0.000 1.933) 1.933 7.233 ( 0.000 0.000 -4.228) 4.228 7.233 ( 0.000 0.000 4.228) 4.228 12.518 ( 0.000 0.000 -8.174) 8.174 12.518 ( 0.000 0.000 8.174) 8.174 12.563 ( 0.000 0.000 -8.357) 8.357 12.563 ( 0.000 0.000 8.357) 8.357 14.597 ( 0.000 0.000 -5.193) 5.193 14.597 ( 0.000 0.000 5.193) 5.193 14.989 ( 0.000 0.000 -20.135) 20.135 14.989 ( 0.000 0.000 20.135) 20.135 16.576 ( 0.000 0.000 -33.633) 33.633 16.576 ( 0.000 0.000 33.633) 33.633 17.302 ( 0.000 0.000 -13.578) 13.578 17.302 ( 0.000 0.000 13.578) 13.578 ======================= Grid point 142 (50/60) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 6.554 0.000 -3.069) 7.237 1.006 ( 6.554 0.000 3.069) 7.237 1.216 ( -1.983 0.000 -13.972) 14.112 1.216 ( -1.983 0.000 13.972) 14.112 1.701 ( 0.454 0.000 -3.530) 3.559 1.701 ( 0.454 0.000 3.530) 3.559 1.786 ( -3.018 0.000 -1.764) 3.496 1.786 ( -3.018 0.000 1.764) 3.496 2.252 ( -3.382 0.000 -3.198) 4.654 2.252 ( -3.382 0.000 3.198) 4.654 2.286 ( -6.491 0.000 -1.670) 6.702 2.286 ( -6.491 0.000 1.670) 6.702 2.654 ( 7.791 0.000 -1.117) 7.871 2.654 ( 7.791 0.000 1.117) 7.871 2.865 ( -4.318 0.000 -2.044) 4.777 2.865 ( -4.318 0.000 2.044) 4.777 3.080 ( 9.916 0.000 -1.269) 9.997 3.080 ( 9.916 0.000 1.269) 9.997 3.228 ( 3.562 0.000 -3.992) 5.350 3.228 ( 3.562 0.000 3.992) 5.350 3.363 ( 1.077 0.000 -2.218) 2.466 3.363 ( 1.077 0.000 2.218) 2.466 3.378 ( -2.427 0.000 -3.716) 4.438 3.378 ( -2.427 0.000 3.716) 4.438 3.592 ( -3.320 0.000 -6.407) 7.216 3.592 ( -3.320 0.000 6.407) 7.216 3.641 ( -7.429 0.000 -12.705) 14.717 3.641 ( -7.429 0.000 12.705) 14.717 3.973 ( 8.474 0.000 -0.852) 8.517 3.973 ( 8.474 0.000 0.852) 8.517 4.276 ( -5.125 0.000 -1.491) 5.337 4.276 ( -5.125 0.000 1.491) 5.337 4.815 ( 2.282 0.000 -8.823) 9.113 4.815 ( 2.282 0.000 8.823) 9.113 4.835 ( 0.485 0.000 -1.624) 1.694 4.835 ( 0.485 0.000 1.624) 1.694 4.932 ( 0.720 0.000 -2.906) 2.993 4.932 ( 0.720 0.000 2.906) 2.993 5.039 ( -2.447 0.000 -10.851) 11.123 5.039 ( -2.447 0.000 10.851) 11.123 5.230 ( -0.325 0.000 -7.866) 7.872 5.230 ( -0.325 0.000 7.866) 7.872 5.241 ( -0.443 0.000 -8.396) 8.408 5.241 ( -0.443 0.000 8.396) 8.408 5.684 ( 3.768 0.000 -6.348) 7.382 5.684 ( 3.768 0.000 6.348) 7.382 5.838 ( -2.706 0.000 -1.614) 3.151 5.838 ( -2.706 0.000 1.614) 3.151 6.481 ( 0.223 0.000 -8.084) 8.088 6.481 ( 0.223 0.000 8.084) 8.088 6.504 ( -0.483 0.000 -2.585) 2.630 6.504 ( -0.483 0.000 2.585) 2.630 6.533 ( 0.581 0.000 -30.744) 30.749 6.533 ( 0.581 0.000 30.744) 30.749 6.605 ( -3.424 0.000 -18.495) 18.809 6.605 ( -3.424 0.000 18.495) 18.809 7.058 ( 5.149 0.000 -0.543) 5.178 7.058 ( 5.149 0.000 0.543) 5.178 7.213 ( -2.157 0.000 -3.647) 4.237 7.213 ( -2.157 0.000 3.647) 4.237 12.525 ( 0.731 0.000 -8.226) 8.258 12.525 ( 0.731 0.000 8.226) 8.258 12.558 ( -0.608 0.000 -8.347) 8.369 12.558 ( -0.608 0.000 8.347) 8.369 14.651 ( 5.519 0.000 -7.101) 8.993 14.651 ( 5.519 0.000 7.101) 8.993 14.927 ( -6.211 0.000 -17.403) 18.478 14.927 ( -6.211 0.000 17.403) 18.478 16.685 ( 10.875 0.000 -30.354) 32.243 16.685 ( 10.875 0.000 30.354) 32.243 17.195 ( -10.739 0.000 -16.465) 19.657 17.195 ( -10.739 0.000 16.465) 19.657 ======================= Grid point 144 (51/60) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -6.344 0.000 -9.089) 11.084 1.139 ( 6.344 0.000 -9.089) 11.084 1.139 ( -6.344 0.000 9.089) 11.084 1.139 ( 6.344 0.000 9.089) 11.084 1.727 ( -2.547 0.000 -2.974) 3.916 1.727 ( 2.547 0.000 -2.974) 3.916 1.727 ( -2.547 0.000 2.974) 3.916 1.727 ( 2.547 0.000 2.974) 3.916 2.220 ( -1.039 0.000 -2.318) 2.540 2.220 ( 1.039 0.000 -2.318) 2.540 2.220 ( -1.039 0.000 2.318) 2.540 2.220 ( 1.039 0.000 2.318) 2.540 2.773 ( -5.441 0.000 -3.265) 6.345 2.773 ( 5.441 0.000 -3.265) 6.345 2.773 ( -5.441 0.000 3.265) 6.345 2.773 ( 5.441 0.000 3.265) 6.345 3.258 ( -4.000 0.000 -11.906) 12.560 3.258 ( 4.000 0.000 -11.906) 12.560 3.258 ( -4.000 0.000 11.906) 12.560 3.258 ( 4.000 0.000 11.906) 12.560 3.348 ( -1.781 0.000 -0.761) 1.937 3.348 ( 1.781 0.000 -0.761) 1.937 3.348 ( -1.781 0.000 0.761) 1.937 3.348 ( 1.781 0.000 0.761) 1.937 3.544 ( -1.030 0.000 -14.126) 14.164 3.544 ( 1.030 0.000 -14.126) 14.164 3.544 ( -1.030 0.000 14.126) 14.164 3.544 ( 1.030 0.000 14.126) 14.164 4.143 ( -8.759 0.000 -0.211) 8.762 4.143 ( -8.759 0.000 0.211) 8.762 4.143 ( 8.759 0.000 -0.211) 8.762 4.143 ( 8.759 0.000 0.211) 8.762 4.840 ( -0.245 0.000 -2.605) 2.616 4.840 ( 0.245 0.000 -2.605) 2.616 4.840 ( -0.245 0.000 2.605) 2.616 4.840 ( 0.245 0.000 2.605) 2.616 4.976 ( -3.664 0.000 -9.387) 10.077 4.976 ( 3.664 0.000 -9.387) 10.077 4.976 ( -3.664 0.000 9.387) 10.077 4.976 ( 3.664 0.000 9.387) 10.077 5.231 ( -0.387 0.000 -8.277) 8.287 5.231 ( 0.387 0.000 -8.277) 8.287 5.231 ( -0.387 0.000 8.277) 8.287 5.231 ( 0.387 0.000 8.277) 8.287 5.767 ( -4.558 0.000 -4.301) 6.267 5.767 ( 4.558 0.000 -4.301) 6.267 5.767 ( -4.558 0.000 4.301) 6.267 5.767 ( 4.558 0.000 4.301) 6.267 6.491 ( -0.765 0.000 -6.294) 6.341 6.491 ( 0.765 0.000 -6.294) 6.341 6.491 ( -0.765 0.000 6.294) 6.341 6.491 ( 0.765 0.000 6.294) 6.341 6.554 ( -1.808 0.000 -24.107) 24.174 6.554 ( 1.808 0.000 -24.107) 24.174 6.554 ( -1.808 0.000 24.107) 24.174 6.554 ( 1.808 0.000 24.107) 24.174 7.152 ( -4.391 0.000 -1.915) 4.791 7.152 ( 4.391 0.000 -1.915) 4.791 7.152 ( -4.391 0.000 1.915) 4.791 7.152 ( 4.391 0.000 1.915) 4.791 12.542 ( -0.959 0.000 -8.307) 8.362 12.542 ( 0.959 0.000 -8.307) 8.362 12.542 ( -0.959 0.000 8.307) 8.362 12.542 ( 0.959 0.000 8.307) 8.362 14.785 ( -8.156 0.000 -11.902) 14.428 14.785 ( 8.156 0.000 -11.902) 14.428 14.785 ( -8.156 0.000 11.902) 14.428 14.785 ( 8.156 0.000 11.902) 14.428 16.941 ( -15.117 0.000 -23.274) 27.753 16.941 ( 15.117 0.000 -23.274) 27.753 16.941 ( -15.117 0.000 23.274) 27.753 16.941 ( 15.117 0.000 23.274) 27.753 ======================= Grid point 150 (52/60) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 0.000 12.328 -1.406) 12.408 1.082 ( 0.000 12.328 1.406) 12.408 1.354 ( 0.000 10.575 -10.603) 14.976 1.354 ( 0.000 10.575 10.603) 14.976 1.759 ( 0.000 6.159 -4.802) 7.810 1.759 ( 0.000 6.159 4.802) 7.810 1.922 ( 0.000 8.230 -2.306) 8.547 1.922 ( 0.000 8.230 2.306) 8.547 2.272 ( 0.000 -2.345 -5.886) 6.336 2.272 ( 0.000 -2.345 5.886) 6.336 2.463 ( 0.000 0.913 -6.417) 6.482 2.463 ( 0.000 0.913 6.417) 6.482 2.495 ( 0.000 1.381 -4.536) 4.741 2.495 ( 0.000 1.381 4.536) 4.741 2.858 ( 0.000 -6.837 -6.789) 9.635 2.858 ( 0.000 -6.837 6.789) 9.635 2.916 ( 0.000 -2.605 -1.035) 2.803 2.916 ( 0.000 -2.605 1.035) 2.803 2.976 ( 0.000 -13.065 -4.227) 13.732 2.976 ( 0.000 -13.065 4.227) 13.732 3.386 ( 0.000 -5.874 -13.937) 15.124 3.386 ( 0.000 -5.874 13.937) 15.124 3.402 ( 0.000 -0.211 -15.158) 15.160 3.402 ( 0.000 -0.211 15.158) 15.160 3.618 ( 0.000 4.371 -4.996) 6.638 3.618 ( 0.000 4.371 4.996) 6.638 3.793 ( 0.000 5.523 -8.773) 10.367 3.793 ( 0.000 5.523 8.773) 10.367 4.009 ( 0.000 9.624 -4.280) 10.533 4.009 ( 0.000 9.624 4.280) 10.533 4.291 ( 0.000 -2.347 -3.057) 3.854 4.291 ( 0.000 -2.347 3.057) 3.854 4.792 ( 0.000 0.196 -11.430) 11.431 4.792 ( 0.000 0.196 11.430) 11.431 4.826 ( 0.000 -0.411 -2.433) 2.468 4.826 ( 0.000 -0.411 2.433) 2.468 4.928 ( 0.000 -0.277 -1.629) 1.653 4.928 ( 0.000 -0.277 1.629) 1.653 5.037 ( 0.000 -1.811 -9.681) 9.849 5.037 ( 0.000 -1.811 9.681) 9.849 5.262 ( 0.000 1.716 -8.181) 8.359 5.262 ( 0.000 1.716 8.181) 8.359 5.306 ( 0.000 5.114 -7.780) 9.310 5.306 ( 0.000 5.114 7.780) 9.310 5.684 ( 0.000 3.544 -7.277) 8.094 5.684 ( 0.000 3.544 7.277) 8.094 5.875 ( 0.000 1.157 -0.638) 1.321 5.875 ( 0.000 1.157 0.638) 1.321 6.489 ( 0.000 0.458 -18.884) 18.889 6.489 ( 0.000 0.458 18.884) 18.889 6.519 ( 0.000 -0.823 -35.287) 35.296 6.519 ( 0.000 -0.823 35.287) 35.296 6.524 ( 0.000 1.670 -2.632) 3.117 6.524 ( 0.000 1.670 2.632) 3.117 6.669 ( 0.000 2.112 -11.112) 11.311 6.669 ( 0.000 2.112 11.112) 11.311 6.975 ( 0.000 -2.116 -1.900) 2.844 6.975 ( 0.000 -2.116 1.900) 2.844 7.199 ( 0.000 -3.190 -4.156) 5.240 7.199 ( 0.000 -3.190 4.156) 5.240 12.547 ( 0.000 2.517 -7.959) 8.348 12.547 ( 0.000 2.517 7.959) 8.348 12.584 ( 0.000 1.846 -7.958) 8.169 12.584 ( 0.000 1.846 7.958) 8.169 14.672 ( 0.000 6.758 -3.679) 7.695 14.672 ( 0.000 6.758 3.679) 7.695 15.014 ( 0.000 2.167 -17.471) 17.604 15.014 ( 0.000 2.167 17.471) 17.604 16.555 ( 0.000 -1.749 -34.267) 34.312 16.555 ( 0.000 -1.749 34.267) 34.312 17.196 ( 0.000 -9.407 -16.959) 19.394 17.196 ( 0.000 -9.407 16.959) 19.394 ======================= Grid point 152 (53/60) ======================= q-point: ( 0.25 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 5.141 11.050 -1.685) 12.303 1.134 ( 5.141 11.050 1.685) 12.303 1.333 ( -2.644 9.952 -9.030) 13.696 1.333 ( -2.644 9.952 9.030) 13.696 1.766 ( 0.831 6.344 -4.471) 7.805 1.766 ( 0.831 6.344 4.471) 7.805 1.874 ( -4.369 6.858 -2.586) 8.533 1.874 ( -4.369 6.858 2.586) 8.533 2.241 ( -1.005 0.314 -4.649) 4.767 2.241 ( -1.005 0.314 4.649) 4.767 2.365 ( -5.473 5.435 -3.645) 8.531 2.365 ( -5.473 5.435 3.645) 8.531 2.633 ( 7.483 -2.040 -1.430) 7.887 2.633 ( 7.483 -2.040 1.430) 7.887 2.835 ( -3.608 -3.466 -5.457) 7.403 2.835 ( -3.608 -3.466 5.457) 7.403 2.948 ( 5.327 -8.971 -1.071) 10.488 2.948 ( 5.327 -8.971 1.071) 10.488 3.018 ( 2.751 -12.363 -6.140) 14.075 3.018 ( 2.751 -12.363 6.140) 14.075 3.366 ( -0.331 -4.982 -8.621) 9.963 3.366 ( -0.331 -4.982 8.621) 9.963 3.439 ( 1.971 -2.936 -8.990) 9.660 3.439 ( 1.971 -2.936 8.990) 9.660 3.580 ( -2.686 6.576 -4.290) 8.298 3.580 ( -2.686 6.576 4.290) 8.298 3.733 ( -6.443 6.726 -4.639) 10.405 3.733 ( -6.443 6.726 4.639) 10.405 4.062 ( 5.674 7.076 -1.900) 9.267 4.062 ( 5.674 7.076 1.900) 9.267 4.270 ( -2.682 -0.050 -2.087) 3.398 4.270 ( -2.682 -0.050 2.087) 3.398 4.806 ( 1.233 -0.503 -7.183) 7.305 4.806 ( 1.233 -0.503 7.183) 7.305 4.831 ( 0.337 -0.523 -2.290) 2.373 4.831 ( 0.337 -0.523 2.290) 2.373 4.934 ( 1.053 -0.078 -4.497) 4.619 4.934 ( 1.053 -0.078 4.497) 4.619 5.022 ( -1.692 -1.392 -9.947) 10.186 5.022 ( -1.692 -1.392 9.947) 10.186 5.265 ( 0.285 2.337 -8.237) 8.567 5.265 ( 0.285 2.337 8.237) 8.567 5.295 ( -1.040 4.736 -7.956) 9.317 5.295 ( -1.040 4.736 7.956) 9.317 5.716 ( 3.186 2.938 -6.448) 7.770 5.716 ( 3.186 2.938 6.448) 7.770 5.852 ( -2.475 1.324 -1.687) 3.275 5.852 ( -2.475 1.324 1.687) 3.275 6.490 ( 0.128 0.415 -19.233) 19.237 6.490 ( 0.128 0.415 19.233) 19.237 6.508 ( -0.684 -0.123 -22.548) 22.558 6.508 ( -0.684 -0.123 22.548) 22.559 6.538 ( 1.044 1.123 -13.989) 14.073 6.538 ( 1.044 1.123 13.989) 14.073 6.623 ( -3.602 1.925 -12.232) 12.896 6.623 ( -3.602 1.925 12.232) 12.896 7.034 ( 5.011 -2.151 -0.657) 5.493 7.034 ( 5.011 -2.151 0.657) 5.493 7.181 ( -1.954 -2.997 -3.589) 5.068 7.181 ( -1.954 -2.997 3.589) 5.068 12.553 ( 0.602 2.404 -7.971) 8.347 12.553 ( 0.602 2.404 7.971) 8.347 12.579 ( -0.507 1.928 -7.963) 8.208 12.579 ( -0.507 1.928 7.963) 8.208 14.719 ( 4.835 6.160 -5.408) 9.517 14.719 ( 4.835 6.160 5.408) 9.517 14.960 ( -5.366 2.949 -15.021) 16.221 14.960 ( -5.366 2.949 15.021) 16.221 16.650 ( 9.577 -2.936 -31.464) 33.020 16.650 ( 9.577 -2.936 31.464) 33.020 17.102 ( -9.501 -8.304 -19.429) 23.167 17.102 ( -9.501 -8.304 19.429) 23.167 ======================= Grid point 154 (54/60) ======================= q-point: (-0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -5.180 9.439 -6.610) 12.634 1.248 ( 3.433 9.439 -6.482) 11.954 1.248 ( -3.433 9.439 6.482) 11.954 1.248 ( 5.180 9.439 6.610) 12.634 1.799 ( -2.914 6.454 -3.627) 7.956 1.799 ( 2.844 6.454 -3.620) 7.928 1.799 ( -2.844 6.454 3.620) 7.928 1.799 ( 2.914 6.454 3.627) 7.956 2.271 ( -2.632 4.268 -2.906) 5.795 2.271 ( -0.130 4.268 -2.771) 5.090 2.271 ( 0.130 4.268 2.771) 5.090 2.271 ( 2.632 4.268 2.906) 5.795 2.749 ( -4.956 -2.281 -5.083) 7.457 2.749 ( 4.106 -2.281 -4.998) 6.859 2.749 ( -4.106 -2.281 4.998) 6.859 2.749 ( 4.956 -2.281 5.083) 7.457 3.036 ( -1.859 -12.321 -7.938) 14.774 3.036 ( 1.830 -12.321 -7.938) 14.770 3.036 ( -1.830 -12.321 7.938) 14.770 3.036 ( 1.859 -12.321 7.938) 14.774 3.407 ( -2.649 -5.588 -15.168) 16.380 3.407 ( 2.042 -5.588 -15.158) 16.283 3.407 ( -2.042 -5.588 15.158) 16.283 3.407 ( 2.649 -5.588 15.168) 16.380 3.605 ( -5.323 8.991 -2.227) 10.683 3.605 ( 0.436 8.991 -1.353) 9.102 3.605 ( -0.436 8.991 1.353) 9.102 3.605 ( 5.323 8.991 2.227) 10.683 4.184 ( -2.571 3.663 -7.832) 9.020 4.184 ( -0.443 3.663 -7.786) 8.616 4.184 ( 0.443 3.663 7.786) 8.616 4.184 ( 2.571 3.663 7.832) 9.020 4.827 ( -0.643 -0.914 -4.080) 4.231 4.827 ( 0.598 -0.914 -4.079) 4.223 4.827 ( -0.598 -0.914 4.079) 4.223 4.827 ( 0.643 -0.914 4.080) 4.231 4.975 ( -2.943 -0.438 -9.391) 9.851 4.975 ( 2.936 -0.438 -9.391) 9.849 4.975 ( -2.936 -0.438 9.391) 9.849 4.975 ( 2.943 -0.438 9.391) 9.851 5.275 ( -0.860 3.659 -8.320) 9.130 5.275 ( 0.859 3.659 -8.320) 9.130 5.275 ( -0.859 3.659 8.320) 9.130 5.275 ( 0.860 3.659 8.320) 9.130 5.788 ( -3.986 1.916 -4.366) 6.215 5.788 ( 3.795 1.916 -4.347) 6.081 5.788 ( -3.795 1.916 4.347) 6.081 5.788 ( 3.986 1.916 4.366) 6.215 6.496 ( -0.509 0.119 -20.905) 20.912 6.496 ( 0.509 0.119 -20.905) 20.912 6.496 ( -0.509 0.119 20.905) 20.912 6.496 ( 0.509 0.119 20.905) 20.912 6.567 ( -2.045 1.564 -14.838) 15.060 6.567 ( 2.015 1.564 -14.838) 15.055 6.567 ( -2.015 1.564 14.838) 15.055 6.567 ( 2.045 1.564 14.838) 15.060 7.125 ( -4.089 -2.546 -1.986) 5.210 7.125 ( 3.444 -2.546 -1.845) 4.663 7.125 ( -3.444 -2.546 1.845) 4.663 7.125 ( 4.089 -2.546 1.986) 5.210 12.567 ( -0.794 2.151 -7.987) 8.310 12.567 ( 0.794 2.151 -7.987) 8.310 12.567 ( -0.794 2.151 7.987) 8.310 12.567 ( 0.794 2.151 7.987) 8.310 14.836 ( -7.057 4.638 -10.026) 13.108 14.836 ( 6.972 4.638 -10.019) 13.058 14.836 ( -6.972 4.638 10.019) 13.058 14.836 ( 7.057 4.638 10.026) 13.108 16.877 ( -13.371 -5.654 -25.323) 29.189 16.877 ( 13.371 -5.654 -25.323) 29.189 16.877 ( -13.371 -5.654 25.323) 29.189 16.877 ( 13.371 -5.654 25.323) 29.189 ======================= Grid point 160 (55/60) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 0.000 15.182 -2.881) 15.453 1.387 ( 0.000 15.182 2.881) 15.453 1.615 ( 0.000 12.764 -2.259) 12.962 1.615 ( 0.000 12.764 2.259) 12.962 1.920 ( 0.000 7.231 -7.854) 10.676 1.920 ( 0.000 7.231 7.854) 10.676 2.107 ( 0.000 8.697 -2.634) 9.088 2.107 ( 0.000 8.697 2.634) 9.088 2.183 ( 0.000 -5.362 -6.977) 8.799 2.183 ( 0.000 -5.362 6.977) 8.799 2.445 ( 0.000 -3.362 -3.934) 5.174 2.445 ( 0.000 -3.362 3.934) 5.174 2.529 ( 0.000 0.228 -3.461) 3.468 2.529 ( 0.000 0.228 3.461) 3.468 2.688 ( 0.000 -7.895 -2.879) 8.404 2.688 ( 0.000 -7.895 2.879) 8.404 2.767 ( 0.000 -4.728 -3.790) 6.060 2.767 ( 0.000 -4.728 3.790) 6.060 2.868 ( 0.000 -2.323 -3.203) 3.957 2.868 ( 0.000 -2.323 3.203) 3.957 3.221 ( 0.000 -7.509 -17.465) 19.011 3.221 ( 0.000 -7.509 17.465) 19.011 3.332 ( 0.000 -5.418 -16.101) 16.988 3.332 ( 0.000 -5.418 16.101) 16.988 3.759 ( 0.000 7.052 -8.205) 10.819 3.759 ( 0.000 7.052 8.205) 10.819 3.906 ( 0.000 4.062 -4.695) 6.209 3.906 ( 0.000 4.062 4.695) 6.209 4.212 ( 0.000 8.557 -2.242) 8.846 4.212 ( 0.000 8.557 2.242) 8.846 4.266 ( 0.000 0.517 -3.995) 4.028 4.266 ( 0.000 0.517 3.995) 4.028 4.793 ( 0.000 0.032 -10.826) 10.826 4.793 ( 0.000 0.032 10.826) 10.826 4.813 ( 0.000 -0.736 -4.119) 4.184 4.813 ( 0.000 -0.736 4.119) 4.184 4.919 ( 0.000 -0.465 -3.651) 3.681 4.919 ( 0.000 -0.465 3.651) 3.681 4.992 ( 0.000 -2.391 -10.495) 10.764 4.992 ( 0.000 -2.391 10.495) 10.764 5.307 ( 0.000 2.424 -7.248) 7.642 5.307 ( 0.000 2.424 7.248) 7.642 5.401 ( 0.000 3.087 -9.139) 9.646 5.401 ( 0.000 3.087 9.139) 9.646 5.783 ( 0.000 5.372 -6.815) 8.678 5.783 ( 0.000 5.372 6.815) 8.678 5.908 ( 0.000 1.644 -1.619) 2.307 5.908 ( 0.000 1.644 1.619) 2.307 6.487 ( 0.000 -0.548 -31.349) 31.354 6.487 ( 0.000 -0.548 31.349) 31.354 6.497 ( 0.000 -1.110 -35.452) 35.470 6.497 ( 0.000 -1.110 35.452) 35.470 6.583 ( 0.000 3.823 -3.328) 5.069 6.583 ( 0.000 3.823 3.328) 5.069 6.740 ( 0.000 4.449 -4.577) 6.383 6.740 ( 0.000 4.449 4.577) 6.383 6.910 ( 0.000 -4.072 -1.836) 4.467 6.910 ( 0.000 -4.072 1.836) 4.467 7.104 ( 0.000 -5.655 -3.757) 6.789 7.104 ( 0.000 -5.655 3.757) 6.789 12.610 ( 0.000 3.095 -7.210) 7.846 12.610 ( 0.000 3.095 7.210) 7.846 12.631 ( 0.000 2.297 -6.941) 7.311 12.631 ( 0.000 2.297 6.941) 7.311 14.852 ( 0.000 9.379 -1.164) 9.451 14.852 ( 0.000 9.379 1.164) 9.451 15.068 ( 0.000 2.544 -10.929) 11.221 15.068 ( 0.000 2.544 10.929) 11.221 16.521 ( 0.000 -0.867 -35.562) 35.573 16.521 ( 0.000 -0.867 35.562) 35.573 16.948 ( 0.000 -12.962 -24.341) 27.577 16.948 ( 0.000 -12.962 24.341) 27.577 ======================= Grid point 162 (56/60) ======================= q-point: ( 0.25 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 2.837 14.253 -2.754) 14.791 1.414 ( 2.837 14.253 2.754) 14.791 1.577 ( -3.910 11.981 -1.999) 12.761 1.577 ( -3.910 11.981 1.999) 12.761 1.931 ( 1.158 7.592 -7.735) 10.900 1.931 ( 1.158 7.592 7.735) 10.900 2.024 ( -4.317 6.468 -3.015) 8.340 2.024 ( -4.317 6.468 3.015) 8.340 2.264 ( 4.817 1.912 -5.290) 7.406 2.264 ( 4.817 1.912 5.290) 7.406 2.466 ( -3.229 2.016 -3.913) 5.459 2.466 ( -3.229 2.016 3.913) 5.459 2.552 ( 6.115 -5.256 -2.597) 8.472 2.552 ( 6.115 -5.256 2.597) 8.472 2.683 ( 0.578 -8.495 -7.026) 11.039 2.683 ( 0.578 -8.495 7.026) 11.039 2.798 ( 1.742 -5.599 -2.227) 6.272 2.798 ( 1.742 -5.599 2.227) 6.272 2.837 ( -2.335 -3.810 -2.190) 4.977 2.837 ( -2.335 -3.810 2.190) 4.977 3.205 ( -0.632 -8.028 -15.591) 17.548 3.205 ( -0.632 -8.028 15.591) 17.548 3.312 ( -2.870 -7.577 -12.305) 14.733 3.312 ( -2.870 -7.577 12.305) 14.733 3.753 ( 0.189 7.576 -3.635) 8.405 3.753 ( 0.189 7.576 3.635) 8.405 3.865 ( -4.167 4.658 -0.466) 6.267 3.865 ( -4.167 4.658 0.466) 6.267 4.222 ( 2.741 7.088 -4.567) 8.866 4.222 ( 2.741 7.088 4.567) 8.866 4.303 ( 1.372 3.523 -2.089) 4.320 4.303 ( 1.372 3.523 2.089) 4.320 4.799 ( 0.552 -0.163 -6.013) 6.041 4.799 ( 0.552 -0.163 6.013) 6.041 4.817 ( 0.212 -0.636 -3.087) 3.158 4.817 ( 0.212 -0.636 3.087) 3.158 4.925 ( 0.938 -0.629 -5.967) 6.073 4.925 ( 0.938 -0.629 5.967) 6.073 4.986 ( -0.854 -1.939 -10.073) 10.293 4.986 ( -0.854 -1.939 10.073) 10.293 5.317 ( 1.123 2.317 -7.343) 7.781 5.317 ( 1.123 2.317 7.343) 7.781 5.385 ( -1.618 2.942 -8.823) 9.440 5.385 ( -1.618 2.942 8.823) 9.440 5.798 ( 1.665 4.539 -6.173) 7.841 5.798 ( 1.665 4.539 6.173) 7.841 5.888 ( -1.984 1.880 -2.534) 3.727 5.888 ( -1.984 1.880 2.534) 3.727 6.487 ( 0.012 -0.567 -31.829) 31.834 6.487 ( 0.012 -0.567 31.829) 31.834 6.494 ( -0.312 -0.912 -34.464) 34.478 6.494 ( -0.312 -0.912 34.464) 34.478 6.592 ( 1.068 3.747 -3.825) 5.460 6.592 ( 1.068 3.747 3.825) 5.460 6.687 ( -3.915 3.789 -4.741) 7.222 6.687 ( -3.915 3.789 4.741) 7.222 6.971 ( 4.733 -3.653 -0.879) 6.043 6.971 ( 4.733 -3.653 0.879) 6.043 7.092 ( -1.333 -5.251 -3.259) 6.323 7.092 ( -1.333 -5.251 3.259) 6.323 12.613 ( 0.323 2.957 -7.143) 7.738 12.613 ( 0.323 2.957 7.143) 7.738 12.628 ( -0.299 2.390 -6.952) 7.357 12.628 ( -0.299 2.390 6.952) 7.357 14.883 ( 3.162 8.494 -1.616) 9.206 14.883 ( 3.162 8.494 1.616) 9.206 15.036 ( -3.287 3.695 -9.187) 10.433 15.036 ( -3.287 3.695 9.187) 10.433 16.583 ( 6.267 -2.747 -33.886) 34.570 16.583 ( 6.267 -2.747 33.886) 34.570 16.885 ( -6.415 -11.258 -25.992) 29.042 16.885 ( -6.415 -11.258 25.992) 29.042 ======================= Grid point 164 (57/60) ======================= q-point: (-0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -4.084 12.417 -3.370) 13.498 1.489 ( 1.302 12.417 -3.113) 12.867 1.489 ( -1.302 12.417 3.113) 12.867 1.489 ( 4.084 12.417 3.370) 13.498 1.964 ( -2.408 7.951 -6.351) 10.458 1.964 ( 2.406 7.951 -6.351) 10.457 1.964 ( -2.406 7.951 6.351) 10.457 1.964 ( 2.408 7.951 6.351) 10.458 2.364 ( -5.490 3.778 -3.724) 7.635 2.364 ( 2.396 3.778 -3.340) 5.583 2.364 ( -2.396 3.778 3.340) 5.583 2.364 ( 5.490 3.778 3.724) 7.635 2.664 ( -3.938 -6.229 -5.181) 9.009 2.664 ( 3.788 -6.229 -5.169) 8.937 2.664 ( -3.788 -6.229 5.169) 8.937 2.664 ( 3.938 -6.229 5.181) 9.009 2.815 ( -0.556 -7.148 -2.611) 7.630 2.815 ( 0.302 -7.148 -2.606) 7.614 2.815 ( -0.302 -7.148 2.606) 7.614 2.815 ( 0.556 -7.148 2.611) 7.630 3.234 ( -3.061 -8.963 -17.255) 19.684 3.234 ( 2.789 -8.963 -17.250) 19.639 3.234 ( -2.789 -8.963 17.250) 19.639 3.234 ( 3.061 -8.963 17.255) 19.684 3.786 ( -1.081 6.848 -5.472) 8.832 3.786 ( -0.240 6.848 -5.461) 8.762 3.786 ( 0.240 6.848 5.461) 8.762 3.786 ( 1.081 6.848 5.472) 8.832 4.287 ( -1.856 5.799 -7.856) 9.940 4.287 ( 1.355 5.799 -7.845) 9.850 4.287 ( -1.355 5.799 7.845) 9.850 4.287 ( 1.856 5.799 7.856) 9.940 4.812 ( -0.391 -0.476 -5.508) 5.542 4.812 ( 0.348 -0.476 -5.508) 5.539 4.812 ( -0.348 -0.476 5.508) 5.539 4.812 ( 0.391 -0.476 5.508) 5.542 4.957 ( -1.990 -1.114 -9.459) 9.730 4.957 ( 1.965 -1.114 -9.459) 9.725 4.957 ( -1.965 -1.114 9.459) 9.725 4.957 ( 1.990 -1.114 9.459) 9.730 5.348 ( -2.052 2.514 -8.139) 8.762 5.348 ( 2.038 2.514 -8.139) 8.759 5.348 ( -2.038 2.514 8.139) 8.759 5.348 ( 2.052 2.514 8.139) 8.762 5.841 ( -2.645 2.905 -4.654) 6.091 5.841 ( 2.570 2.905 -4.650) 6.055 5.841 ( -2.570 2.905 4.650) 6.055 5.841 ( 2.645 2.905 4.654) 6.091 6.489 ( -0.170 -0.662 -33.018) 33.025 6.489 ( 0.170 -0.662 -33.018) 33.025 6.489 ( -0.170 -0.662 33.018) 33.025 6.489 ( 0.170 -0.662 33.018) 33.025 6.625 ( -2.511 3.718 -4.876) 6.627 6.625 ( 2.511 3.718 -4.876) 6.627 6.625 ( -2.511 3.718 4.876) 6.627 6.625 ( 2.511 3.718 4.876) 6.627 7.050 ( -3.153 -4.350 -2.191) 5.802 7.050 ( 2.203 -4.350 -2.058) 5.293 7.050 ( -2.203 -4.350 2.058) 5.293 7.050 ( 3.153 -4.350 2.191) 5.802 12.621 ( -0.443 2.651 -7.076) 7.569 12.621 ( 0.443 2.651 -7.076) 7.569 12.621 ( -0.443 2.651 7.076) 7.569 12.621 ( 0.443 2.651 7.076) 7.569 14.958 ( -4.046 6.222 -6.142) 9.633 14.958 ( 3.346 6.222 -6.095) 9.330 14.958 ( -3.346 6.222 6.095) 9.330 14.958 ( 4.046 6.222 6.142) 9.633 16.733 ( -8.938 -7.085 -29.935) 32.034 16.733 ( 8.938 -7.085 -29.935) 32.034 16.733 ( -8.938 -7.085 29.935) 32.034 16.733 ( 8.938 -7.085 29.935) 32.034 ======================= Grid point 170 (58/60) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 0.000 11.572 -4.259) 12.331 1.678 ( 0.000 11.572 4.259) 12.331 1.808 ( 0.000 2.208 -0.596) 2.287 1.808 ( 0.000 2.208 0.596) 2.287 2.004 ( 0.000 1.880 -6.805) 7.060 2.004 ( 0.000 1.880 6.805) 7.060 2.077 ( 0.000 -4.417 -5.581) 7.117 2.077 ( 0.000 -4.417 5.581) 7.117 2.263 ( 0.000 6.533 -3.181) 7.266 2.263 ( 0.000 6.533 3.181) 7.266 2.430 ( 0.000 -8.445 -4.786) 9.707 2.430 ( 0.000 -8.445 4.786) 9.707 2.437 ( 0.000 5.025 -3.884) 6.351 2.437 ( 0.000 5.025 3.884) 6.351 2.564 ( 0.000 -5.222 -3.127) 6.086 2.564 ( 0.000 -5.222 3.127) 6.086 2.755 ( 0.000 1.938 -9.446) 9.643 2.755 ( 0.000 1.938 9.446) 9.643 2.813 ( 0.000 -3.009 -3.034) 4.274 2.813 ( 0.000 -3.009 3.034) 4.274 3.134 ( 0.000 0.109 -13.591) 13.592 3.134 ( 0.000 0.109 13.591) 13.592 3.207 ( 0.000 -5.677 -11.261) 12.611 3.207 ( 0.000 -5.677 11.261) 12.611 3.885 ( 0.000 4.614 -8.204) 9.412 3.885 ( 0.000 4.614 8.204) 9.412 3.943 ( 0.000 -0.648 -6.006) 6.041 3.943 ( 0.000 -0.648 6.006) 6.041 4.307 ( 0.000 2.590 -3.800) 4.599 4.307 ( 0.000 2.590 3.800) 4.599 4.327 ( 0.000 1.841 -2.330) 2.970 4.327 ( 0.000 1.841 2.330) 2.970 4.796 ( 0.000 0.197 -9.178) 9.181 4.796 ( 0.000 0.197 9.178) 9.181 4.801 ( 0.000 -0.328 -6.312) 6.321 4.801 ( 0.000 -0.328 6.312) 6.321 4.917 ( 0.000 0.495 -6.588) 6.607 4.917 ( 0.000 0.495 6.588) 6.607 4.944 ( 0.000 -1.964 -9.484) 9.685 4.944 ( 0.000 -1.964 9.484) 9.685 5.365 ( 0.000 3.069 -6.843) 7.500 5.365 ( 0.000 3.069 6.843) 7.500 5.418 ( 0.000 -1.339 -8.095) 8.205 5.418 ( 0.000 -1.339 8.095) 8.205 5.885 ( 0.000 3.761 -5.783) 6.898 5.885 ( 0.000 3.761 5.783) 6.898 5.927 ( 0.000 -0.244 -3.786) 3.794 5.927 ( 0.000 -0.244 3.786) 3.794 6.476 ( 0.000 -0.347 -35.331) 35.332 6.476 ( 0.000 -0.347 35.331) 35.332 6.478 ( 0.000 -0.591 -35.860) 35.865 6.478 ( 0.000 -0.591 35.860) 35.865 6.683 ( 0.000 5.604 -2.398) 6.096 6.683 ( 0.000 5.604 2.398) 6.096 6.806 ( 0.000 -5.655 -1.849) 5.950 6.806 ( 0.000 -5.655 1.849) 5.950 6.847 ( 0.000 5.622 -2.783) 6.273 6.847 ( 0.000 5.622 2.783) 6.273 6.974 ( 0.000 -6.330 -3.013) 7.010 6.974 ( 0.000 -6.330 3.013) 7.010 12.661 ( 0.000 1.493 -6.205) 6.382 12.661 ( 0.000 1.493 6.205) 6.382 12.668 ( 0.000 0.881 -6.022) 6.086 12.668 ( 0.000 0.881 6.022) 6.086 15.025 ( 0.000 6.242 -2.727) 6.812 15.025 ( 0.000 6.242 2.727) 6.812 15.096 ( 0.000 -0.559 -4.517) 4.551 15.096 ( 0.000 -0.559 4.517) 4.551 16.547 ( 0.000 3.868 -35.455) 35.665 16.547 ( 0.000 3.868 35.455) 35.665 16.696 ( 0.000 -10.106 -31.470) 33.053 16.696 ( 0.000 -10.106 31.470) 33.053 ======================= Grid point 172 (59/60) ======================= q-point: ( 0.25 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 1.313 10.687 -4.295) 11.593 1.689 ( 1.313 10.687 4.295) 11.593 1.779 ( -2.634 4.804 -2.352) 5.962 1.779 ( -2.634 4.804 2.352) 5.962 2.026 ( 2.011 1.615 -8.084) 8.486 2.026 ( 2.011 1.615 8.084) 8.486 2.082 ( -0.045 -1.812 -5.943) 6.214 2.082 ( -0.045 -1.812 5.943) 6.214 2.323 ( 5.251 3.269 -2.477) 6.663 2.323 ( 5.251 3.269 2.477) 6.663 2.426 ( 0.477 -1.620 -3.756) 4.118 2.426 ( 0.477 -1.620 3.756) 4.118 2.477 ( 3.145 -1.821 -1.463) 3.917 2.477 ( 3.145 -1.821 1.463) 3.917 2.564 ( 0.209 -3.965 -2.181) 4.531 2.564 ( 0.209 -3.965 2.181) 4.531 2.742 ( -1.252 -0.181 -5.995) 6.127 2.742 ( -1.252 -0.181 5.995) 6.127 2.790 ( -2.683 -1.258 -1.369) 3.265 2.790 ( -2.683 -1.258 1.369) 3.265 3.092 ( -3.010 -1.575 -14.135) 14.538 3.092 ( -3.010 -1.575 14.135) 14.538 3.158 ( -4.693 -6.071 -10.218) 12.778 3.158 ( -4.693 -6.071 10.218) 12.778 3.873 ( -0.593 3.704 -3.599) 5.199 3.873 ( -0.593 3.704 3.599) 5.199 3.915 ( -2.346 0.180 -3.073) 3.871 3.915 ( -2.346 0.180 3.073) 3.871 4.342 ( 3.564 4.266 -4.962) 7.451 4.342 ( 3.564 4.266 4.962) 7.451 4.376 ( 3.064 1.581 -3.357) 4.812 4.376 ( 3.064 1.581 3.357) 4.812 4.798 ( 0.303 0.018 -4.086) 4.097 4.798 ( 0.303 0.018 4.086) 4.097 4.808 ( 0.342 -0.310 -4.137) 4.162 4.808 ( 0.342 -0.310 4.137) 4.162 4.920 ( 0.537 0.450 -7.697) 7.729 4.920 ( 0.537 0.450 7.697) 7.729 4.946 ( 0.028 -1.723 -9.259) 9.418 4.946 ( 0.028 -1.723 9.259) 9.418 5.363 ( -0.038 2.229 -6.363) 6.742 5.363 ( -0.038 2.229 6.363) 6.742 5.403 ( -1.499 -1.041 -7.441) 7.662 5.403 ( -1.499 -1.041 7.441) 7.662 5.884 ( 0.068 3.067 -5.518) 6.313 5.884 ( 0.068 3.067 5.518) 6.313 5.915 ( -1.153 0.217 -4.197) 4.358 5.915 ( -1.153 0.217 4.197) 4.358 6.476 ( 0.004 -0.345 -32.192) 32.194 6.476 ( 0.004 -0.345 32.193) 32.194 6.477 ( -0.063 -0.509 -32.569) 32.573 6.477 ( -0.063 -0.509 32.569) 32.573 6.686 ( 0.422 4.785 -1.845) 5.146 6.686 ( 0.422 4.785 1.845) 5.146 6.750 ( -3.200 0.517 -0.569) 3.291 6.750 ( -3.200 0.517 0.569) 3.291 6.909 ( 3.647 -0.604 -1.531) 4.001 6.909 ( 3.647 -0.604 1.531) 4.001 6.975 ( -0.101 -5.357 -2.624) 5.966 6.975 ( -0.101 -5.357 2.624) 5.966 12.662 ( 0.068 1.383 -6.087) 6.243 12.662 ( 0.068 1.383 6.087) 6.243 12.666 ( -0.109 0.970 -5.985) 6.064 12.666 ( -0.109 0.970 5.985) 6.064 15.037 ( 1.186 5.312 -1.738) 5.714 15.037 ( 1.186 5.312 1.738) 5.714 15.087 ( -0.914 0.515 -3.376) 3.535 15.087 ( -0.914 0.515 3.376) 3.535 16.566 ( 1.990 1.765 -35.104) 35.205 16.566 ( 1.990 1.765 35.104) 35.205 16.671 ( -2.427 -8.118 -32.259) 33.353 16.671 ( -2.427 -8.118 32.259) 33.353 ======================= Grid point 174 (60/60) ======================= q-point: (-0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -2.575 8.437 -4.056) 9.709 1.727 ( 2.547 8.437 -4.054) 9.701 1.727 ( -2.547 8.437 4.054) 9.701 1.727 ( 2.575 8.437 4.056) 9.709 2.064 ( -1.734 0.568 -8.754) 8.942 2.064 ( 1.727 0.568 -8.754) 8.940 2.064 ( -1.727 0.568 8.754) 8.940 2.064 ( 1.734 0.568 8.754) 8.942 2.407 ( -3.062 0.386 -4.099) 5.131 2.407 ( 3.062 0.386 -4.099) 5.131 2.407 ( -3.062 0.386 4.099) 5.131 2.407 ( 3.062 0.386 4.099) 5.131 2.552 ( -3.189 -2.237 -3.316) 5.116 2.552 ( 3.188 -2.237 -3.316) 5.115 2.552 ( -3.188 -2.237 3.316) 5.115 2.552 ( 3.189 -2.237 3.316) 5.116 2.733 ( -1.254 -1.658 -7.945) 8.213 2.733 ( 1.132 -1.658 -7.943) 8.193 2.733 ( -1.132 -1.658 7.943) 8.193 2.733 ( 1.254 -1.658 7.945) 8.213 3.079 ( -1.792 -4.611 -19.684) 20.296 3.079 ( 1.714 -4.611 -19.683) 20.289 3.079 ( -1.714 -4.611 19.683) 20.289 3.079 ( 1.792 -4.611 19.684) 20.296 3.878 ( -0.549 2.014 -10.982) 11.179 3.878 ( 0.473 2.014 -10.982) 11.175 3.878 ( -0.473 2.014 10.982) 11.175 3.878 ( 0.549 2.014 10.982) 11.179 4.397 ( -1.223 3.452 -4.685) 5.946 4.397 ( 1.206 3.452 -4.684) 5.943 4.397 ( -1.206 3.452 4.684) 5.943 4.397 ( 1.223 3.452 4.685) 5.946 4.806 ( -0.258 -0.142 -6.453) 6.459 4.806 ( 0.244 -0.142 -6.452) 6.459 4.806 ( -0.244 -0.142 6.452) 6.459 4.806 ( 0.258 -0.142 6.453) 6.459 4.937 ( -0.878 -0.560 -9.868) 9.922 4.937 ( 0.865 -0.560 -9.868) 9.921 4.937 ( -0.865 -0.560 9.868) 9.921 4.937 ( 0.878 -0.560 9.868) 9.922 5.374 ( -1.235 0.261 -6.498) 6.619 5.374 ( 1.224 0.261 -6.498) 6.617 5.374 ( -1.224 0.261 6.498) 6.617 5.374 ( 1.235 0.261 6.498) 6.619 5.893 ( -0.923 1.532 -4.906) 5.222 5.893 ( 0.923 1.532 -4.906) 5.222 5.893 ( -0.923 1.532 4.906) 5.222 5.893 ( 0.923 1.532 4.906) 5.222 6.476 ( -0.045 -0.384 -35.954) 35.956 6.476 ( 0.045 -0.384 -35.954) 35.956 6.476 ( -0.045 -0.384 35.954) 35.956 6.476 ( 0.045 -0.384 35.954) 35.956 6.704 ( -1.577 2.987 -1.332) 3.631 6.704 ( 1.354 2.987 -1.305) 3.530 6.704 ( -1.354 2.987 1.305) 3.530 6.704 ( 1.577 2.987 1.332) 3.631 6.960 ( -1.339 -3.271 -2.788) 4.502 6.960 ( 0.972 -3.271 -2.771) 4.396 6.960 ( -0.972 -3.271 2.771) 4.396 6.960 ( 1.339 -3.271 2.788) 4.502 12.664 ( -0.136 1.166 -6.095) 6.207 12.664 ( 0.136 1.166 -6.095) 6.207 12.664 ( -0.136 1.166 6.095) 6.207 12.664 ( 0.136 1.166 6.095) 6.207 15.064 ( -0.351 2.986 -5.268) 6.065 15.064 ( 0.079 2.986 -5.266) 6.055 15.064 ( -0.079 2.986 5.266) 6.055 15.064 ( 0.351 2.986 5.268) 6.065 16.616 ( -3.133 -3.234 -33.901) 34.199 16.616 ( 3.133 -3.234 -33.901) 34.199 16.616 ( -3.133 -3.234 33.901) 34.199 16.616 ( 3.133 -3.234 33.901) 34.199 =================== 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 3/16128 10.0 177.803 113.002 114.861 0.000 0.000 0.000 3/16128 20.0 37.225 41.104 44.708 0.000 0.000 0.000 3/16128 30.0 16.990 22.041 24.158 0.000 0.000 0.000 3/16128 40.0 10.416 14.363 16.069 0.000 0.000 0.000 3/16128 50.0 7.312 10.422 12.065 0.000 0.000 0.000 3/16128 60.0 5.565 8.104 9.757 0.000 0.000 0.000 3/16128 70.0 4.472 6.611 8.277 0.000 0.000 0.000 3/16128 80.0 3.735 5.581 7.253 0.000 0.000 0.000 3/16128 90.0 3.210 4.832 6.504 0.000 0.000 0.000 3/16128 100.0 2.818 4.266 5.932 0.000 0.000 0.000 3/16128 110.0 2.515 3.824 5.480 0.000 0.000 0.000 3/16128 120.0 2.275 3.469 5.112 0.000 0.000 0.000 3/16128 130.0 2.080 3.177 4.805 0.000 0.000 0.000 3/16128 140.0 1.917 2.934 4.542 0.000 0.000 0.000 3/16128 150.0 1.780 2.727 4.314 0.000 0.000 0.000 3/16128 160.0 1.663 2.550 4.113 0.000 0.000 0.000 3/16128 170.0 1.562 2.395 3.934 0.000 0.000 0.000 3/16128 180.0 1.472 2.259 3.771 0.000 0.000 0.000 3/16128 190.0 1.394 2.139 3.623 0.000 0.000 0.000 3/16128 200.0 1.323 2.031 3.487 0.000 0.000 0.000 3/16128 210.0 1.260 1.934 3.361 0.000 0.000 0.000 3/16128 220.0 1.203 1.846 3.245 0.000 0.000 0.000 3/16128 230.0 1.151 1.767 3.136 0.000 0.000 0.000 3/16128 240.0 1.104 1.694 3.034 0.000 0.000 0.000 3/16128 250.0 1.060 1.627 2.939 0.000 0.000 0.000 3/16128 260.0 1.020 1.565 2.849 0.000 0.000 0.000 3/16128 270.0 0.983 1.508 2.765 0.000 0.000 0.000 3/16128 280.0 0.949 1.455 2.685 0.000 0.000 0.000 3/16128 290.0 0.917 1.405 2.609 0.000 0.000 0.000 3/16128 300.0 0.887 1.359 2.537 0.000 0.000 0.000 3/16128 310.0 0.859 1.316 2.469 0.000 0.000 0.000 3/16128 320.0 0.833 1.276 2.405 0.000 0.000 0.000 3/16128 330.0 0.808 1.238 2.343 0.000 0.000 0.000 3/16128 340.0 0.785 1.202 2.285 0.000 0.000 0.000 3/16128 350.0 0.763 1.169 2.229 0.000 0.000 0.000 3/16128 360.0 0.742 1.137 2.176 0.000 0.000 0.000 3/16128 370.0 0.723 1.107 2.125 0.000 0.000 0.000 3/16128 380.0 0.704 1.078 2.076 0.000 0.000 0.000 3/16128 390.0 0.687 1.051 2.029 0.000 0.000 0.000 3/16128 400.0 0.670 1.025 1.985 0.000 0.000 0.000 3/16128 410.0 0.654 1.000 1.942 0.000 0.000 0.000 3/16128 420.0 0.639 0.977 1.901 0.000 0.000 0.000 3/16128 430.0 0.624 0.955 1.861 0.000 0.000 0.000 3/16128 440.0 0.610 0.933 1.823 0.000 0.000 0.000 3/16128 450.0 0.597 0.913 1.787 0.000 0.000 0.000 3/16128 460.0 0.584 0.893 1.752 0.000 0.000 0.000 3/16128 470.0 0.572 0.875 1.718 0.000 0.000 0.000 3/16128 480.0 0.560 0.857 1.685 0.000 0.000 0.000 3/16128 490.0 0.549 0.840 1.654 0.000 0.000 0.000 3/16128 500.0 0.538 0.823 1.624 0.000 0.000 0.000 3/16128 510.0 0.528 0.807 1.594 0.000 0.000 0.000 3/16128 520.0 0.518 0.792 1.566 0.000 0.000 0.000 3/16128 530.0 0.508 0.777 1.539 0.000 0.000 0.000 3/16128 540.0 0.499 0.763 1.513 0.000 0.000 0.000 3/16128 550.0 0.490 0.749 1.487 0.000 0.000 0.000 3/16128 560.0 0.482 0.736 1.462 0.000 0.000 0.000 3/16128 570.0 0.473 0.723 1.438 0.000 0.000 0.000 3/16128 580.0 0.465 0.711 1.415 0.000 0.000 0.000 3/16128 590.0 0.457 0.699 1.393 0.000 0.000 0.000 3/16128 600.0 0.450 0.688 1.371 0.000 0.000 0.000 3/16128 610.0 0.443 0.676 1.350 0.000 0.000 0.000 3/16128 620.0 0.436 0.666 1.329 0.000 0.000 0.000 3/16128 630.0 0.429 0.655 1.310 0.000 0.000 0.000 3/16128 640.0 0.422 0.645 1.290 0.000 0.000 0.000 3/16128 650.0 0.416 0.635 1.271 0.000 0.000 0.000 3/16128 660.0 0.410 0.626 1.253 0.000 0.000 0.000 3/16128 670.0 0.404 0.617 1.235 0.000 0.000 0.000 3/16128 680.0 0.398 0.608 1.218 0.000 0.000 0.000 3/16128 690.0 0.392 0.599 1.201 0.000 0.000 0.000 3/16128 700.0 0.386 0.590 1.185 0.000 0.000 0.000 3/16128 710.0 0.381 0.582 1.169 0.000 0.000 0.000 3/16128 720.0 0.376 0.574 1.154 0.000 0.000 0.000 3/16128 730.0 0.371 0.566 1.139 0.000 0.000 0.000 3/16128 740.0 0.366 0.559 1.124 0.000 0.000 0.000 3/16128 750.0 0.361 0.551 1.110 0.000 0.000 0.000 3/16128 760.0 0.356 0.544 1.096 0.000 0.000 0.000 3/16128 770.0 0.352 0.537 1.082 0.000 0.000 0.000 3/16128 780.0 0.347 0.530 1.069 0.000 0.000 0.000 3/16128 790.0 0.343 0.524 1.056 0.000 0.000 0.000 3/16128 800.0 0.339 0.517 1.043 0.000 0.000 0.000 3/16128 810.0 0.334 0.511 1.030 0.000 0.000 0.000 3/16128 820.0 0.330 0.505 1.018 0.000 0.000 0.000 3/16128 830.0 0.326 0.499 1.007 0.000 0.000 0.000 3/16128 840.0 0.323 0.493 0.995 0.000 0.000 0.000 3/16128 850.0 0.319 0.487 0.984 0.000 0.000 0.000 3/16128 860.0 0.315 0.481 0.973 0.000 0.000 0.000 3/16128 870.0 0.312 0.476 0.962 0.000 0.000 0.000 3/16128 880.0 0.308 0.471 0.951 0.000 0.000 0.000 3/16128 890.0 0.305 0.465 0.941 0.000 0.000 0.000 3/16128 900.0 0.301 0.460 0.931 0.000 0.000 0.000 3/16128 910.0 0.298 0.455 0.921 0.000 0.000 0.000 3/16128 920.0 0.295 0.450 0.911 0.000 0.000 0.000 3/16128 930.0 0.292 0.445 0.902 0.000 0.000 0.000 3/16128 940.0 0.289 0.441 0.892 0.000 0.000 0.000 3/16128 950.0 0.286 0.436 0.883 0.000 0.000 0.000 3/16128 960.0 0.283 0.432 0.874 0.000 0.000 0.000 3/16128 970.0 0.280 0.427 0.865 0.000 0.000 0.000 3/16128 980.0 0.277 0.423 0.857 0.000 0.000 0.000 3/16128 990.0 0.274 0.419 0.848 0.000 0.000 0.000 3/16128 1000.0 0.271 0.414 0.840 0.000 0.000 0.000 3/16128 Thermal conductivity related properties were written into "kappa-m478.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:49:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|