----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:38:19]------------------------- 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: [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.127657070000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.864471610000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.795870450000001 Atomic positions (fractional): *1 Y 0.51921739261913 0.75000000000000 0.74065535968313 88.906 2 Y 0.48078260738087 0.25000000000000 0.25934464031687 88.906 3 Y 0.01921739261913 0.75000000000000 0.75934464031687 88.906 4 Y 0.98078260738087 0.25000000000000 0.24065535968313 88.906 *5 Cu 0.23348250398555 0.75000000000000 0.27896247436260 63.546 6 Cu 0.76651749601445 0.25000000000000 0.72103752563740 63.546 7 Cu 0.73348250398555 0.75000000000000 0.22103752563741 63.546 8 Cu 0.26651749601445 0.25000000000000 0.77896247436260 63.546 *9 Pb 0.27961454673031 0.75000000000000 0.99860427028414 207.200 10 Pb 0.72038545326969 0.25000000000000 0.00139572971586 207.200 11 Pb 0.77961454673031 0.75000000000000 0.50139572971586 207.200 12 Pb 0.22038545326969 0.25000000000000 0.49860427028414 207.200 *13 S 0.76489487328253 0.75000000000000 0.82633083630196 32.065 14 S 0.23510512671747 0.25000000000000 0.17366916369804 32.065 15 S 0.26489487328253 0.75000000000000 0.67366916369804 32.065 16 S 0.73510512671747 0.25000000000000 0.32633083630196 32.065 *17 S 0.54681785457521 0.75000000000000 0.11692893224121 32.065 18 S 0.45318214542479 0.25000000000000 0.88307106775879 32.065 19 S 0.04681785457521 0.75000000000000 0.38307106775879 32.065 20 S 0.95318214542479 0.25000000000000 0.61692893224121 32.065 *21 S 0.90750166332076 0.75000000000000 0.10624947503304 32.065 22 S 0.09249833667924 0.25000000000000 0.89375052496697 32.065 23 S 0.40750166332076 0.75000000000000 0.39375052496696 32.065 24 S 0.59249833667924 0.25000000000000 0.60624947503303 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.127657070000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.864471610000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.795870450000001 Atomic positions (fractional): *1 Y 0.51921739261913 0.75000000000000 0.74065535968313 88.906 > 1 2 Y 0.48078260738087 0.25000000000000 0.25934464031687 88.906 > 2 3 Y 0.01921739261913 0.75000000000000 0.75934464031687 88.906 > 3 4 Y 0.98078260738087 0.25000000000000 0.24065535968313 88.906 > 4 *5 Cu 0.23348250398555 0.75000000000000 0.27896247436260 63.546 > 5 6 Cu 0.76651749601445 0.25000000000000 0.72103752563740 63.546 > 6 7 Cu 0.73348250398555 0.75000000000000 0.22103752563741 63.546 > 7 8 Cu 0.26651749601445 0.25000000000000 0.77896247436260 63.546 > 8 *9 Pb 0.27961454673031 0.75000000000000 0.99860427028414 207.200 > 9 10 Pb 0.72038545326969 0.25000000000000 0.00139572971586 207.200 > 10 11 Pb 0.77961454673031 0.75000000000000 0.50139572971586 207.200 > 11 12 Pb 0.22038545326969 0.25000000000000 0.49860427028414 207.200 > 12 *13 S 0.76489487328253 0.75000000000000 0.82633083630196 32.065 > 13 14 S 0.23510512671747 0.25000000000000 0.17366916369804 32.065 > 14 15 S 0.26489487328253 0.75000000000000 0.67366916369804 32.065 > 15 16 S 0.73510512671747 0.25000000000000 0.32633083630196 32.065 > 16 *17 S 0.54681785457521 0.75000000000000 0.11692893224121 32.065 > 17 18 S 0.45318214542479 0.25000000000000 0.88307106775879 32.065 > 18 19 S 0.04681785457521 0.75000000000000 0.38307106775879 32.065 > 19 20 S 0.95318214542479 0.25000000000000 0.61692893224121 32.065 > 20 *21 S 0.90750166332076 0.75000000000000 0.10624947503304 32.065 > 21 22 S 0.09249833667924 0.25000000000000 0.89375052496697 32.065 > 22 23 S 0.40750166332076 0.75000000000000 0.39375052496696 32.065 > 23 24 S 0.59249833667924 0.25000000000000 0.60624947503303 32.065 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 20.255314139999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.593414830000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.795870450000001 Atomic positions (fractional): *1 Y 0.25960869630957 0.25000000000000 0.74065535968313 88.906 > 1 2 Y 0.75960869630957 0.25000000000000 0.74065535968313 88.906 > 1 3 Y 0.25960869630957 0.58333333333333 0.74065535968313 88.906 > 1 4 Y 0.75960869630957 0.58333333333333 0.74065535968313 88.906 > 1 5 Y 0.25960869630957 0.91666666666667 0.74065535968313 88.906 > 1 6 Y 0.75960869630957 0.91666666666667 0.74065535968313 88.906 > 1 7 Y 0.24039130369043 0.08333333333333 0.25934464031687 88.906 > 2 8 Y 0.74039130369043 0.08333333333333 0.25934464031687 88.906 > 2 9 Y 0.24039130369043 0.41666666666667 0.25934464031687 88.906 > 2 10 Y 0.74039130369043 0.41666666666667 0.25934464031687 88.906 > 2 11 Y 0.24039130369043 0.75000000000000 0.25934464031687 88.906 > 2 12 Y 0.74039130369043 0.75000000000000 0.25934464031687 88.906 > 2 13 Y 0.00960869630957 0.25000000000000 0.75934464031687 88.906 > 3 14 Y 0.50960869630957 0.25000000000000 0.75934464031687 88.906 > 3 15 Y 0.00960869630957 0.58333333333333 0.75934464031687 88.906 > 3 16 Y 0.50960869630957 0.58333333333333 0.75934464031687 88.906 > 3 17 Y 0.00960869630957 0.91666666666667 0.75934464031687 88.906 > 3 18 Y 0.50960869630957 0.91666666666667 0.75934464031687 88.906 > 3 19 Y 0.49039130369043 0.08333333333333 0.24065535968313 88.906 > 4 20 Y 0.99039130369043 0.08333333333333 0.24065535968313 88.906 > 4 21 Y 0.49039130369043 0.41666666666667 0.24065535968313 88.906 > 4 22 Y 0.99039130369043 0.41666666666667 0.24065535968313 88.906 > 4 23 Y 0.49039130369043 0.75000000000000 0.24065535968313 88.906 > 4 24 Y 0.99039130369043 0.75000000000000 0.24065535968313 88.906 > 4 *25 Cu 0.11674125199278 0.25000000000000 0.27896247436260 63.546 > 5 26 Cu 0.61674125199277 0.25000000000000 0.27896247436260 63.546 > 5 27 Cu 0.11674125199278 0.58333333333333 0.27896247436260 63.546 > 5 28 Cu 0.61674125199277 0.58333333333333 0.27896247436260 63.546 > 5 29 Cu 0.11674125199278 0.91666666666667 0.27896247436260 63.546 > 5 30 Cu 0.61674125199277 0.91666666666667 0.27896247436260 63.546 > 5 31 Cu 0.38325874800722 0.08333333333333 0.72103752563740 63.546 > 6 32 Cu 0.88325874800722 0.08333333333333 0.72103752563740 63.546 > 6 33 Cu 0.38325874800722 0.41666666666667 0.72103752563740 63.546 > 6 34 Cu 0.88325874800722 0.41666666666667 0.72103752563740 63.546 > 6 35 Cu 0.38325874800722 0.75000000000000 0.72103752563740 63.546 > 6 36 Cu 0.88325874800722 0.75000000000000 0.72103752563740 63.546 > 6 37 Cu 0.36674125199278 0.25000000000000 0.22103752563741 63.546 > 7 38 Cu 0.86674125199278 0.25000000000000 0.22103752563741 63.546 > 7 39 Cu 0.36674125199278 0.58333333333333 0.22103752563741 63.546 > 7 40 Cu 0.86674125199278 0.58333333333333 0.22103752563741 63.546 > 7 41 Cu 0.36674125199278 0.91666666666667 0.22103752563741 63.546 > 7 42 Cu 0.86674125199278 0.91666666666667 0.22103752563741 63.546 > 7 43 Cu 0.13325874800723 0.08333333333333 0.77896247436260 63.546 > 8 44 Cu 0.63325874800723 0.08333333333333 0.77896247436260 63.546 > 8 45 Cu 0.13325874800723 0.41666666666667 0.77896247436260 63.546 > 8 46 Cu 0.63325874800723 0.41666666666667 0.77896247436260 63.546 > 8 47 Cu 0.13325874800723 0.75000000000000 0.77896247436260 63.546 > 8 48 Cu 0.63325874800723 0.75000000000000 0.77896247436260 63.546 > 8 *49 Pb 0.13980727336516 0.25000000000000 0.99860427028414 207.200 > 9 50 Pb 0.63980727336516 0.25000000000000 0.99860427028414 207.200 > 9 51 Pb 0.13980727336516 0.58333333333333 0.99860427028414 207.200 > 9 52 Pb 0.63980727336516 0.58333333333333 0.99860427028414 207.200 > 9 53 Pb 0.13980727336516 0.91666666666667 0.99860427028414 207.200 > 9 54 Pb 0.63980727336516 0.91666666666667 0.99860427028414 207.200 > 9 55 Pb 0.36019272663484 0.08333333333333 0.00139572971586 207.200 > 10 56 Pb 0.86019272663484 0.08333333333333 0.00139572971586 207.200 > 10 57 Pb 0.36019272663484 0.41666666666667 0.00139572971586 207.200 > 10 58 Pb 0.86019272663484 0.41666666666667 0.00139572971586 207.200 > 10 59 Pb 0.36019272663484 0.75000000000000 0.00139572971586 207.200 > 10 60 Pb 0.86019272663484 0.75000000000000 0.00139572971586 207.200 > 10 61 Pb 0.38980727336516 0.25000000000000 0.50139572971586 207.200 > 11 62 Pb 0.88980727336516 0.25000000000000 0.50139572971586 207.200 > 11 63 Pb 0.38980727336516 0.58333333333333 0.50139572971586 207.200 > 11 64 Pb 0.88980727336516 0.58333333333333 0.50139572971586 207.200 > 11 65 Pb 0.38980727336516 0.91666666666667 0.50139572971586 207.200 > 11 66 Pb 0.88980727336516 0.91666666666667 0.50139572971586 207.200 > 11 67 Pb 0.11019272663484 0.08333333333333 0.49860427028414 207.200 > 12 68 Pb 0.61019272663484 0.08333333333333 0.49860427028414 207.200 > 12 69 Pb 0.11019272663484 0.41666666666667 0.49860427028414 207.200 > 12 70 Pb 0.61019272663484 0.41666666666667 0.49860427028414 207.200 > 12 71 Pb 0.11019272663484 0.75000000000000 0.49860427028414 207.200 > 12 72 Pb 0.61019272663484 0.75000000000000 0.49860427028414 207.200 > 12 *73 S 0.38244743664127 0.25000000000000 0.82633083630196 32.065 > 13 74 S 0.88244743664127 0.25000000000000 0.82633083630196 32.065 > 13 75 S 0.38244743664127 0.58333333333333 0.82633083630196 32.065 > 13 76 S 0.88244743664127 0.58333333333333 0.82633083630196 32.065 > 13 77 S 0.38244743664127 0.91666666666667 0.82633083630196 32.065 > 13 78 S 0.88244743664127 0.91666666666667 0.82633083630196 32.065 > 13 79 S 0.11755256335873 0.08333333333333 0.17366916369804 32.065 > 14 80 S 0.61755256335873 0.08333333333333 0.17366916369804 32.065 > 14 81 S 0.11755256335873 0.41666666666667 0.17366916369804 32.065 > 14 82 S 0.61755256335873 0.41666666666667 0.17366916369804 32.065 > 14 83 S 0.11755256335873 0.75000000000000 0.17366916369804 32.065 > 14 84 S 0.61755256335873 0.75000000000000 0.17366916369804 32.065 > 14 85 S 0.13244743664127 0.25000000000000 0.67366916369804 32.065 > 15 86 S 0.63244743664127 0.25000000000000 0.67366916369804 32.065 > 15 87 S 0.13244743664127 0.58333333333333 0.67366916369804 32.065 > 15 88 S 0.63244743664127 0.58333333333333 0.67366916369804 32.065 > 15 89 S 0.13244743664127 0.91666666666667 0.67366916369804 32.065 > 15 90 S 0.63244743664127 0.91666666666667 0.67366916369804 32.065 > 15 91 S 0.36755256335873 0.08333333333333 0.32633083630196 32.065 > 16 92 S 0.86755256335873 0.08333333333333 0.32633083630196 32.065 > 16 93 S 0.36755256335873 0.41666666666667 0.32633083630196 32.065 > 16 94 S 0.86755256335873 0.41666666666667 0.32633083630196 32.065 > 16 95 S 0.36755256335873 0.75000000000000 0.32633083630196 32.065 > 16 96 S 0.86755256335873 0.75000000000000 0.32633083630196 32.065 > 16 *97 S 0.27340892728760 0.25000000000000 0.11692893224121 32.065 > 17 98 S 0.77340892728760 0.25000000000000 0.11692893224121 32.065 > 17 99 S 0.27340892728760 0.58333333333333 0.11692893224121 32.065 > 17 100 S 0.77340892728760 0.58333333333333 0.11692893224121 32.065 > 17 101 S 0.27340892728760 0.91666666666667 0.11692893224121 32.065 > 17 102 S 0.77340892728760 0.91666666666667 0.11692893224121 32.065 > 17 103 S 0.22659107271240 0.08333333333333 0.88307106775879 32.065 > 18 104 S 0.72659107271240 0.08333333333333 0.88307106775879 32.065 > 18 105 S 0.22659107271240 0.41666666666667 0.88307106775879 32.065 > 18 106 S 0.72659107271240 0.41666666666667 0.88307106775879 32.065 > 18 107 S 0.22659107271240 0.75000000000000 0.88307106775879 32.065 > 18 108 S 0.72659107271240 0.75000000000000 0.88307106775879 32.065 > 18 109 S 0.02340892728760 0.25000000000000 0.38307106775879 32.065 > 19 110 S 0.52340892728760 0.25000000000000 0.38307106775879 32.065 > 19 111 S 0.02340892728760 0.58333333333333 0.38307106775879 32.065 > 19 112 S 0.52340892728760 0.58333333333333 0.38307106775879 32.065 > 19 113 S 0.02340892728760 0.91666666666667 0.38307106775879 32.065 > 19 114 S 0.52340892728760 0.91666666666667 0.38307106775879 32.065 > 19 115 S 0.47659107271240 0.08333333333333 0.61692893224121 32.065 > 20 116 S 0.97659107271240 0.08333333333333 0.61692893224121 32.065 > 20 117 S 0.47659107271240 0.41666666666667 0.61692893224121 32.065 > 20 118 S 0.97659107271240 0.41666666666667 0.61692893224121 32.065 > 20 119 S 0.47659107271240 0.75000000000000 0.61692893224121 32.065 > 20 120 S 0.97659107271240 0.75000000000000 0.61692893224121 32.065 > 20 *121 S 0.45375083166038 0.25000000000000 0.10624947503304 32.065 > 21 122 S 0.95375083166038 0.25000000000000 0.10624947503304 32.065 > 21 123 S 0.45375083166038 0.58333333333333 0.10624947503304 32.065 > 21 124 S 0.95375083166038 0.58333333333333 0.10624947503304 32.065 > 21 125 S 0.45375083166038 0.91666666666667 0.10624947503304 32.065 > 21 126 S 0.95375083166038 0.91666666666667 0.10624947503304 32.065 > 21 127 S 0.04624916833962 0.08333333333333 0.89375052496697 32.065 > 22 128 S 0.54624916833962 0.08333333333333 0.89375052496697 32.065 > 22 129 S 0.04624916833962 0.41666666666667 0.89375052496697 32.065 > 22 130 S 0.54624916833962 0.41666666666667 0.89375052496697 32.065 > 22 131 S 0.04624916833962 0.75000000000000 0.89375052496697 32.065 > 22 132 S 0.54624916833962 0.75000000000000 0.89375052496697 32.065 > 22 133 S 0.20375083166038 0.25000000000000 0.39375052496696 32.065 > 23 134 S 0.70375083166038 0.25000000000000 0.39375052496696 32.065 > 23 135 S 0.20375083166038 0.58333333333333 0.39375052496696 32.065 > 23 136 S 0.70375083166038 0.58333333333333 0.39375052496696 32.065 > 23 137 S 0.20375083166038 0.91666666666667 0.39375052496696 32.065 > 23 138 S 0.70375083166038 0.91666666666667 0.39375052496696 32.065 > 23 139 S 0.29624916833962 0.08333333333333 0.60624947503303 32.065 > 24 140 S 0.79624916833962 0.08333333333333 0.60624947503303 32.065 > 24 141 S 0.29624916833962 0.41666666666667 0.60624947503303 32.065 > 24 142 S 0.79624916833962 0.41666666666667 0.60624947503303 32.065 > 24 143 S 0.29624916833962 0.75000000000000 0.60624947503303 32.065 > 24 144 S 0.79624916833962 0.75000000000000 0.60624947503303 32.065 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.0492295 0.0000000 0.0000000 0.0000000 11.2445606 0.0000000 0.0000000 0.0000000 9.8988449 -------------------------- Born effective charges -------------------------- 1 Y 4.8418129 0.0000000 -0.9764527 0.0000000 4.2967282 0.0000000 0.2314172 0.0000000 3.0442859 2 Y 4.8418129 0.0000000 -0.9764527 0.0000000 4.2967282 0.0000000 0.2314172 0.0000000 3.0442859 3 Y 4.8418129 0.0000000 0.9764527 0.0000000 4.2967282 0.0000000 -0.2314172 0.0000000 3.0442859 4 Y 4.8418129 0.0000000 0.9764527 0.0000000 4.2967282 0.0000000 -0.2314172 0.0000000 3.0442859 5 Cu 0.1488563 0.0000000 -0.1796706 0.0000000 0.6550642 0.0000000 -0.1512122 0.0000000 0.6393963 6 Cu 0.1488563 0.0000000 -0.1796706 0.0000000 0.6550642 0.0000000 -0.1512122 0.0000000 0.6393963 7 Cu 0.1488563 0.0000000 0.1796706 0.0000000 0.6550642 0.0000000 0.1512122 0.0000000 0.6393963 8 Cu 0.1488563 0.0000000 0.1796706 0.0000000 0.6550642 0.0000000 0.1512122 0.0000000 0.6393963 9 Pb 3.6232882 0.0000000 -0.0026987 0.0000000 4.6793682 0.0000000 0.4414115 0.0000000 4.5591482 10 Pb 3.6232882 0.0000000 -0.0026987 0.0000000 4.6793682 0.0000000 0.4414115 0.0000000 4.5591482 11 Pb 3.6232882 0.0000000 0.0026987 0.0000000 4.6793682 0.0000000 -0.4414115 0.0000000 4.5591482 12 Pb 3.6232882 0.0000000 0.0026987 0.0000000 4.6793682 0.0000000 -0.4414115 0.0000000 4.5591482 13 S -3.2982466 0.0000000 0.4823801 0.0000000 -2.6853729 0.0000000 0.2823760 0.0000000 -2.5783892 14 S -3.2982466 0.0000000 0.4823801 0.0000000 -2.6853729 0.0000000 0.2823760 0.0000000 -2.5783892 15 S -3.2982466 0.0000000 -0.4823801 0.0000000 -2.6853729 0.0000000 -0.2823760 0.0000000 -2.5783892 16 S -3.2982466 0.0000000 -0.4823801 0.0000000 -2.6853729 0.0000000 -0.2823760 0.0000000 -2.5783892 17 S -2.8502262 0.0000000 0.6434419 0.0000000 -3.4523401 0.0000000 0.0867251 0.0000000 -3.0094726 18 S -2.8502262 0.0000000 0.6434419 0.0000000 -3.4523401 0.0000000 0.0867251 0.0000000 -3.0094726 19 S -2.8502262 0.0000000 -0.6434419 0.0000000 -3.4523401 0.0000000 -0.0867251 0.0000000 -3.0094726 20 S -2.8502262 0.0000000 -0.6434419 0.0000000 -3.4523401 0.0000000 -0.0867251 0.0000000 -3.0094726 21 S -2.4654847 0.0000000 -1.2828912 0.0000000 -3.4934477 0.0000000 -0.7989148 0.0000000 -2.6549686 22 S -2.4654847 0.0000000 -1.2828912 0.0000000 -3.4934477 0.0000000 -0.7989148 0.0000000 -2.6549686 23 S -2.4654847 0.0000000 1.2828912 0.0000000 -3.4934477 0.0000000 0.7989148 0.0000000 -2.6549686 24 S -2.4654847 0.0000000 1.2828912 0.0000000 -3.4934477 0.0000000 0.7989148 0.0000000 -2.6549686 ---------------------------------------------------------------------------- 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: 2124 Number of blocks in projector: 2124 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 67 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2124, 2094), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 21), data: (576, 33) @ (33, 21) |-- (76, 67), data: True |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 0.731 Solver_block: 200 / 400 - Time: 0.674 Solver_block: 300 / 400 - Time: 0.676 Solver_block: 400 / 400 - Time: 0.675 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.832 --------------------------------- 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: 2124 Number of blocks in projector: 2124 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 67 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2124, 2094), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 21), data: (576, 33) @ (33, 21) |-- (76, 67), data: True |-- (250, 238), data: True |-- (250, 238), 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 10:38:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:38:44]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.127657070000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.864471610000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.795870450000001 Atomic positions (fractional): 1 Y 0.51921739261913 0.75000000000000 0.74065535968313 88.906 2 Y 0.48078260738087 0.25000000000000 0.25934464031687 88.906 3 Y 0.01921739261913 0.75000000000000 0.75934464031687 88.906 4 Y 0.98078260738087 0.25000000000000 0.24065535968313 88.906 5 Cu 0.23348250398555 0.75000000000000 0.27896247436260 63.546 6 Cu 0.76651749601445 0.25000000000000 0.72103752563740 63.546 7 Cu 0.73348250398555 0.75000000000000 0.22103752563741 63.546 8 Cu 0.26651749601445 0.25000000000000 0.77896247436260 63.546 9 Pb 0.27961454673031 0.75000000000000 0.99860427028414 207.200 10 Pb 0.72038545326969 0.25000000000000 0.00139572971586 207.200 11 Pb 0.77961454673031 0.75000000000000 0.50139572971586 207.200 12 Pb 0.22038545326969 0.25000000000000 0.49860427028414 207.200 13 S 0.76489487328253 0.75000000000000 0.82633083630196 32.065 14 S 0.23510512671747 0.25000000000000 0.17366916369804 32.065 15 S 0.26489487328253 0.75000000000000 0.67366916369804 32.065 16 S 0.73510512671747 0.25000000000000 0.32633083630196 32.065 17 S 0.54681785457521 0.75000000000000 0.11692893224121 32.065 18 S 0.45318214542479 0.25000000000000 0.88307106775879 32.065 19 S 0.04681785457521 0.75000000000000 0.38307106775879 32.065 20 S 0.95318214542479 0.25000000000000 0.61692893224121 32.065 21 S 0.90750166332076 0.75000000000000 0.10624947503304 32.065 22 S 0.09249833667924 0.25000000000000 0.89375052496697 32.065 23 S 0.40750166332076 0.75000000000000 0.39375052496696 32.065 24 S 0.59249833667924 0.25000000000000 0.60624947503303 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 20.255314139999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.593414830000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.795870450000001 Atomic positions (fractional): 1 Y 0.25960869630957 0.25000000000000 0.74065535968313 88.906 > 1 2 Y 0.75960869630957 0.25000000000000 0.74065535968313 88.906 > 1 3 Y 0.25960869630957 0.58333333333333 0.74065535968313 88.906 > 1 4 Y 0.75960869630957 0.58333333333333 0.74065535968313 88.906 > 1 5 Y 0.25960869630957 0.91666666666667 0.74065535968313 88.906 > 1 6 Y 0.75960869630957 0.91666666666667 0.74065535968313 88.906 > 1 7 Y 0.24039130369043 0.08333333333333 0.25934464031687 88.906 > 7 8 Y 0.74039130369043 0.08333333333333 0.25934464031687 88.906 > 7 9 Y 0.24039130369043 0.41666666666667 0.25934464031687 88.906 > 7 10 Y 0.74039130369043 0.41666666666667 0.25934464031687 88.906 > 7 11 Y 0.24039130369043 0.75000000000000 0.25934464031687 88.906 > 7 12 Y 0.74039130369043 0.75000000000000 0.25934464031687 88.906 > 7 13 Y 0.00960869630957 0.25000000000000 0.75934464031687 88.906 > 13 14 Y 0.50960869630957 0.25000000000000 0.75934464031687 88.906 > 13 15 Y 0.00960869630957 0.58333333333333 0.75934464031687 88.906 > 13 16 Y 0.50960869630957 0.58333333333333 0.75934464031687 88.906 > 13 17 Y 0.00960869630957 0.91666666666667 0.75934464031687 88.906 > 13 18 Y 0.50960869630957 0.91666666666667 0.75934464031687 88.906 > 13 19 Y 0.49039130369043 0.08333333333333 0.24065535968313 88.906 > 19 20 Y 0.99039130369043 0.08333333333333 0.24065535968313 88.906 > 19 21 Y 0.49039130369043 0.41666666666667 0.24065535968313 88.906 > 19 22 Y 0.99039130369043 0.41666666666667 0.24065535968313 88.906 > 19 23 Y 0.49039130369043 0.75000000000000 0.24065535968313 88.906 > 19 24 Y 0.99039130369043 0.75000000000000 0.24065535968313 88.906 > 19 25 Cu 0.11674125199278 0.25000000000000 0.27896247436260 63.546 > 25 26 Cu 0.61674125199277 0.25000000000000 0.27896247436260 63.546 > 25 27 Cu 0.11674125199278 0.58333333333333 0.27896247436260 63.546 > 25 28 Cu 0.61674125199277 0.58333333333333 0.27896247436260 63.546 > 25 29 Cu 0.11674125199278 0.91666666666667 0.27896247436260 63.546 > 25 30 Cu 0.61674125199277 0.91666666666667 0.27896247436260 63.546 > 25 31 Cu 0.38325874800722 0.08333333333333 0.72103752563740 63.546 > 31 32 Cu 0.88325874800722 0.08333333333333 0.72103752563740 63.546 > 31 33 Cu 0.38325874800722 0.41666666666667 0.72103752563740 63.546 > 31 34 Cu 0.88325874800722 0.41666666666667 0.72103752563740 63.546 > 31 35 Cu 0.38325874800722 0.75000000000000 0.72103752563740 63.546 > 31 36 Cu 0.88325874800722 0.75000000000000 0.72103752563740 63.546 > 31 37 Cu 0.36674125199278 0.25000000000000 0.22103752563741 63.546 > 37 38 Cu 0.86674125199278 0.25000000000000 0.22103752563741 63.546 > 37 39 Cu 0.36674125199278 0.58333333333333 0.22103752563741 63.546 > 37 40 Cu 0.86674125199278 0.58333333333333 0.22103752563741 63.546 > 37 41 Cu 0.36674125199278 0.91666666666667 0.22103752563741 63.546 > 37 42 Cu 0.86674125199278 0.91666666666667 0.22103752563741 63.546 > 37 43 Cu 0.13325874800723 0.08333333333333 0.77896247436260 63.546 > 43 44 Cu 0.63325874800723 0.08333333333333 0.77896247436260 63.546 > 43 45 Cu 0.13325874800723 0.41666666666667 0.77896247436260 63.546 > 43 46 Cu 0.63325874800723 0.41666666666667 0.77896247436260 63.546 > 43 47 Cu 0.13325874800723 0.75000000000000 0.77896247436260 63.546 > 43 48 Cu 0.63325874800723 0.75000000000000 0.77896247436260 63.546 > 43 49 Pb 0.13980727336516 0.25000000000000 0.99860427028414 207.200 > 49 50 Pb 0.63980727336516 0.25000000000000 0.99860427028414 207.200 > 49 51 Pb 0.13980727336516 0.58333333333333 0.99860427028414 207.200 > 49 52 Pb 0.63980727336516 0.58333333333333 0.99860427028414 207.200 > 49 53 Pb 0.13980727336516 0.91666666666667 0.99860427028414 207.200 > 49 54 Pb 0.63980727336516 0.91666666666667 0.99860427028414 207.200 > 49 55 Pb 0.36019272663484 0.08333333333333 0.00139572971586 207.200 > 55 56 Pb 0.86019272663484 0.08333333333333 0.00139572971586 207.200 > 55 57 Pb 0.36019272663484 0.41666666666667 0.00139572971586 207.200 > 55 58 Pb 0.86019272663484 0.41666666666667 0.00139572971586 207.200 > 55 59 Pb 0.36019272663484 0.75000000000000 0.00139572971586 207.200 > 55 60 Pb 0.86019272663484 0.75000000000000 0.00139572971586 207.200 > 55 61 Pb 0.38980727336516 0.25000000000000 0.50139572971586 207.200 > 61 62 Pb 0.88980727336516 0.25000000000000 0.50139572971586 207.200 > 61 63 Pb 0.38980727336516 0.58333333333333 0.50139572971586 207.200 > 61 64 Pb 0.88980727336516 0.58333333333333 0.50139572971586 207.200 > 61 65 Pb 0.38980727336516 0.91666666666667 0.50139572971586 207.200 > 61 66 Pb 0.88980727336516 0.91666666666667 0.50139572971586 207.200 > 61 67 Pb 0.11019272663484 0.08333333333333 0.49860427028414 207.200 > 67 68 Pb 0.61019272663484 0.08333333333333 0.49860427028414 207.200 > 67 69 Pb 0.11019272663484 0.41666666666667 0.49860427028414 207.200 > 67 70 Pb 0.61019272663484 0.41666666666667 0.49860427028414 207.200 > 67 71 Pb 0.11019272663484 0.75000000000000 0.49860427028414 207.200 > 67 72 Pb 0.61019272663484 0.75000000000000 0.49860427028414 207.200 > 67 73 S 0.38244743664127 0.25000000000000 0.82633083630196 32.065 > 73 74 S 0.88244743664127 0.25000000000000 0.82633083630196 32.065 > 73 75 S 0.38244743664127 0.58333333333333 0.82633083630196 32.065 > 73 76 S 0.88244743664127 0.58333333333333 0.82633083630196 32.065 > 73 77 S 0.38244743664127 0.91666666666667 0.82633083630196 32.065 > 73 78 S 0.88244743664127 0.91666666666667 0.82633083630196 32.065 > 73 79 S 0.11755256335873 0.08333333333333 0.17366916369804 32.065 > 79 80 S 0.61755256335873 0.08333333333333 0.17366916369804 32.065 > 79 81 S 0.11755256335873 0.41666666666667 0.17366916369804 32.065 > 79 82 S 0.61755256335873 0.41666666666667 0.17366916369804 32.065 > 79 83 S 0.11755256335873 0.75000000000000 0.17366916369804 32.065 > 79 84 S 0.61755256335873 0.75000000000000 0.17366916369804 32.065 > 79 85 S 0.13244743664127 0.25000000000000 0.67366916369804 32.065 > 85 86 S 0.63244743664127 0.25000000000000 0.67366916369804 32.065 > 85 87 S 0.13244743664127 0.58333333333333 0.67366916369804 32.065 > 85 88 S 0.63244743664127 0.58333333333333 0.67366916369804 32.065 > 85 89 S 0.13244743664127 0.91666666666667 0.67366916369804 32.065 > 85 90 S 0.63244743664127 0.91666666666667 0.67366916369804 32.065 > 85 91 S 0.36755256335873 0.08333333333333 0.32633083630196 32.065 > 91 92 S 0.86755256335873 0.08333333333333 0.32633083630196 32.065 > 91 93 S 0.36755256335873 0.41666666666667 0.32633083630196 32.065 > 91 94 S 0.86755256335873 0.41666666666667 0.32633083630196 32.065 > 91 95 S 0.36755256335873 0.75000000000000 0.32633083630196 32.065 > 91 96 S 0.86755256335873 0.75000000000000 0.32633083630196 32.065 > 91 97 S 0.27340892728760 0.25000000000000 0.11692893224121 32.065 > 97 98 S 0.77340892728760 0.25000000000000 0.11692893224121 32.065 > 97 99 S 0.27340892728760 0.58333333333333 0.11692893224121 32.065 > 97 100 S 0.77340892728760 0.58333333333333 0.11692893224121 32.065 > 97 101 S 0.27340892728760 0.91666666666667 0.11692893224121 32.065 > 97 102 S 0.77340892728760 0.91666666666667 0.11692893224121 32.065 > 97 103 S 0.22659107271240 0.08333333333333 0.88307106775879 32.065 > 103 104 S 0.72659107271240 0.08333333333333 0.88307106775879 32.065 > 103 105 S 0.22659107271240 0.41666666666667 0.88307106775879 32.065 > 103 106 S 0.72659107271240 0.41666666666667 0.88307106775879 32.065 > 103 107 S 0.22659107271240 0.75000000000000 0.88307106775879 32.065 > 103 108 S 0.72659107271240 0.75000000000000 0.88307106775879 32.065 > 103 109 S 0.02340892728760 0.25000000000000 0.38307106775879 32.065 > 109 110 S 0.52340892728760 0.25000000000000 0.38307106775879 32.065 > 109 111 S 0.02340892728760 0.58333333333333 0.38307106775879 32.065 > 109 112 S 0.52340892728760 0.58333333333333 0.38307106775879 32.065 > 109 113 S 0.02340892728760 0.91666666666667 0.38307106775879 32.065 > 109 114 S 0.52340892728760 0.91666666666667 0.38307106775879 32.065 > 109 115 S 0.47659107271240 0.08333333333333 0.61692893224121 32.065 > 115 116 S 0.97659107271240 0.08333333333333 0.61692893224121 32.065 > 115 117 S 0.47659107271240 0.41666666666667 0.61692893224121 32.065 > 115 118 S 0.97659107271240 0.41666666666667 0.61692893224121 32.065 > 115 119 S 0.47659107271240 0.75000000000000 0.61692893224121 32.065 > 115 120 S 0.97659107271240 0.75000000000000 0.61692893224121 32.065 > 115 121 S 0.45375083166038 0.25000000000000 0.10624947503304 32.065 > 121 122 S 0.95375083166038 0.25000000000000 0.10624947503304 32.065 > 121 123 S 0.45375083166038 0.58333333333333 0.10624947503304 32.065 > 121 124 S 0.95375083166038 0.58333333333333 0.10624947503304 32.065 > 121 125 S 0.45375083166038 0.91666666666667 0.10624947503304 32.065 > 121 126 S 0.95375083166038 0.91666666666667 0.10624947503304 32.065 > 121 127 S 0.04624916833962 0.08333333333333 0.89375052496697 32.065 > 127 128 S 0.54624916833962 0.08333333333333 0.89375052496697 32.065 > 127 129 S 0.04624916833962 0.41666666666667 0.89375052496697 32.065 > 127 130 S 0.54624916833962 0.41666666666667 0.89375052496697 32.065 > 127 131 S 0.04624916833962 0.75000000000000 0.89375052496697 32.065 > 127 132 S 0.54624916833962 0.75000000000000 0.89375052496697 32.065 > 127 133 S 0.20375083166038 0.25000000000000 0.39375052496696 32.065 > 133 134 S 0.70375083166038 0.25000000000000 0.39375052496696 32.065 > 133 135 S 0.20375083166038 0.58333333333333 0.39375052496696 32.065 > 133 136 S 0.70375083166038 0.58333333333333 0.39375052496696 32.065 > 133 137 S 0.20375083166038 0.91666666666667 0.39375052496696 32.065 > 133 138 S 0.70375083166038 0.91666666666667 0.39375052496696 32.065 > 133 139 S 0.29624916833962 0.08333333333333 0.60624947503303 32.065 > 139 140 S 0.79624916833962 0.08333333333333 0.60624947503303 32.065 > 139 141 S 0.29624916833962 0.41666666666667 0.60624947503303 32.065 > 139 142 S 0.79624916833962 0.41666666666667 0.60624947503303 32.065 > 139 143 S 0.29624916833962 0.75000000000000 0.60624947503303 32.065 > 139 144 S 0.79624916833962 0.75000000000000 0.60624947503303 32.065 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.0492295 0.0000000 0.0000000 0.0000000 11.2445606 0.0000000 0.0000000 0.0000000 9.8988449 -------------------------- Born effective charges -------------------------- 1 Y 4.8418129 0.0000000 -0.9764527 0.0000000 4.2967282 0.0000000 0.2314172 0.0000000 3.0442859 2 Y 4.8418129 0.0000000 -0.9764527 0.0000000 4.2967282 0.0000000 0.2314172 0.0000000 3.0442859 3 Y 4.8418129 0.0000000 0.9764527 0.0000000 4.2967282 0.0000000 -0.2314172 0.0000000 3.0442859 4 Y 4.8418129 0.0000000 0.9764527 0.0000000 4.2967282 0.0000000 -0.2314172 0.0000000 3.0442859 5 Cu 0.1488563 0.0000000 -0.1796706 0.0000000 0.6550642 0.0000000 -0.1512122 0.0000000 0.6393963 6 Cu 0.1488563 0.0000000 -0.1796706 0.0000000 0.6550642 0.0000000 -0.1512122 0.0000000 0.6393963 7 Cu 0.1488563 0.0000000 0.1796706 0.0000000 0.6550642 0.0000000 0.1512122 0.0000000 0.6393963 8 Cu 0.1488563 0.0000000 0.1796706 0.0000000 0.6550642 0.0000000 0.1512122 0.0000000 0.6393963 9 Pb 3.6232882 0.0000000 -0.0026987 0.0000000 4.6793682 0.0000000 0.4414115 0.0000000 4.5591482 10 Pb 3.6232882 0.0000000 -0.0026987 0.0000000 4.6793682 0.0000000 0.4414115 0.0000000 4.5591482 11 Pb 3.6232882 0.0000000 0.0026987 0.0000000 4.6793682 0.0000000 -0.4414115 0.0000000 4.5591482 12 Pb 3.6232882 0.0000000 0.0026987 0.0000000 4.6793682 0.0000000 -0.4414115 0.0000000 4.5591482 13 S -3.2982466 0.0000000 0.4823801 0.0000000 -2.6853729 0.0000000 0.2823760 0.0000000 -2.5783892 14 S -3.2982466 0.0000000 0.4823801 0.0000000 -2.6853729 0.0000000 0.2823760 0.0000000 -2.5783892 15 S -3.2982466 0.0000000 -0.4823801 0.0000000 -2.6853729 0.0000000 -0.2823760 0.0000000 -2.5783892 16 S -3.2982466 0.0000000 -0.4823801 0.0000000 -2.6853729 0.0000000 -0.2823760 0.0000000 -2.5783892 17 S -2.8502262 0.0000000 0.6434419 0.0000000 -3.4523401 0.0000000 0.0867251 0.0000000 -3.0094726 18 S -2.8502262 0.0000000 0.6434419 0.0000000 -3.4523401 0.0000000 0.0867251 0.0000000 -3.0094726 19 S -2.8502262 0.0000000 -0.6434419 0.0000000 -3.4523401 0.0000000 -0.0867251 0.0000000 -3.0094726 20 S -2.8502262 0.0000000 -0.6434419 0.0000000 -3.4523401 0.0000000 -0.0867251 0.0000000 -3.0094726 21 S -2.4654847 0.0000000 -1.2828912 0.0000000 -3.4934477 0.0000000 -0.7989148 0.0000000 -2.6549686 22 S -2.4654847 0.0000000 -1.2828912 0.0000000 -3.4934477 0.0000000 -0.7989148 0.0000000 -2.6549686 23 S -2.4654847 0.0000000 1.2828912 0.0000000 -3.4934477 0.0000000 0.7989148 0.0000000 -2.6549686 24 S -2.4654847 0.0000000 1.2828912 0.0000000 -3.4934477 0.0000000 0.7989148 0.0000000 -2.6549686 ---------------------------------------------------------------------------- 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[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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] Computing fc3[ 121, 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 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) 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 10:39:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:39:15]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.127657070000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.864471610000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.795870450000001 Atomic positions (fractional): 1 Y 0.51921739261913 0.75000000000000 0.74065535968313 88.906 2 Y 0.48078260738087 0.25000000000000 0.25934464031687 88.906 3 Y 0.01921739261913 0.75000000000000 0.75934464031687 88.906 4 Y 0.98078260738087 0.25000000000000 0.24065535968313 88.906 5 Cu 0.23348250398555 0.75000000000000 0.27896247436260 63.546 6 Cu 0.76651749601445 0.25000000000000 0.72103752563740 63.546 7 Cu 0.73348250398555 0.75000000000000 0.22103752563741 63.546 8 Cu 0.26651749601445 0.25000000000000 0.77896247436260 63.546 9 Pb 0.27961454673031 0.75000000000000 0.99860427028414 207.200 10 Pb 0.72038545326969 0.25000000000000 0.00139572971586 207.200 11 Pb 0.77961454673031 0.75000000000000 0.50139572971586 207.200 12 Pb 0.22038545326969 0.25000000000000 0.49860427028414 207.200 13 S 0.76489487328253 0.75000000000000 0.82633083630196 32.065 14 S 0.23510512671747 0.25000000000000 0.17366916369804 32.065 15 S 0.26489487328253 0.75000000000000 0.67366916369804 32.065 16 S 0.73510512671747 0.25000000000000 0.32633083630196 32.065 17 S 0.54681785457521 0.75000000000000 0.11692893224121 32.065 18 S 0.45318214542479 0.25000000000000 0.88307106775879 32.065 19 S 0.04681785457521 0.75000000000000 0.38307106775879 32.065 20 S 0.95318214542479 0.25000000000000 0.61692893224121 32.065 21 S 0.90750166332076 0.75000000000000 0.10624947503304 32.065 22 S 0.09249833667924 0.25000000000000 0.89375052496697 32.065 23 S 0.40750166332076 0.75000000000000 0.39375052496696 32.065 24 S 0.59249833667924 0.25000000000000 0.60624947503303 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 20.255314139999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.593414830000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.795870450000001 Atomic positions (fractional): 1 Y 0.25960869630957 0.25000000000000 0.74065535968313 88.906 > 1 2 Y 0.75960869630957 0.25000000000000 0.74065535968313 88.906 > 1 3 Y 0.25960869630957 0.58333333333333 0.74065535968313 88.906 > 1 4 Y 0.75960869630957 0.58333333333333 0.74065535968313 88.906 > 1 5 Y 0.25960869630957 0.91666666666667 0.74065535968313 88.906 > 1 6 Y 0.75960869630957 0.91666666666667 0.74065535968313 88.906 > 1 7 Y 0.24039130369043 0.08333333333333 0.25934464031687 88.906 > 7 8 Y 0.74039130369043 0.08333333333333 0.25934464031687 88.906 > 7 9 Y 0.24039130369043 0.41666666666667 0.25934464031687 88.906 > 7 10 Y 0.74039130369043 0.41666666666667 0.25934464031687 88.906 > 7 11 Y 0.24039130369043 0.75000000000000 0.25934464031687 88.906 > 7 12 Y 0.74039130369043 0.75000000000000 0.25934464031687 88.906 > 7 13 Y 0.00960869630957 0.25000000000000 0.75934464031687 88.906 > 13 14 Y 0.50960869630957 0.25000000000000 0.75934464031687 88.906 > 13 15 Y 0.00960869630957 0.58333333333333 0.75934464031687 88.906 > 13 16 Y 0.50960869630957 0.58333333333333 0.75934464031687 88.906 > 13 17 Y 0.00960869630957 0.91666666666667 0.75934464031687 88.906 > 13 18 Y 0.50960869630957 0.91666666666667 0.75934464031687 88.906 > 13 19 Y 0.49039130369043 0.08333333333333 0.24065535968313 88.906 > 19 20 Y 0.99039130369043 0.08333333333333 0.24065535968313 88.906 > 19 21 Y 0.49039130369043 0.41666666666667 0.24065535968313 88.906 > 19 22 Y 0.99039130369043 0.41666666666667 0.24065535968313 88.906 > 19 23 Y 0.49039130369043 0.75000000000000 0.24065535968313 88.906 > 19 24 Y 0.99039130369043 0.75000000000000 0.24065535968313 88.906 > 19 25 Cu 0.11674125199278 0.25000000000000 0.27896247436260 63.546 > 25 26 Cu 0.61674125199277 0.25000000000000 0.27896247436260 63.546 > 25 27 Cu 0.11674125199278 0.58333333333333 0.27896247436260 63.546 > 25 28 Cu 0.61674125199277 0.58333333333333 0.27896247436260 63.546 > 25 29 Cu 0.11674125199278 0.91666666666667 0.27896247436260 63.546 > 25 30 Cu 0.61674125199277 0.91666666666667 0.27896247436260 63.546 > 25 31 Cu 0.38325874800722 0.08333333333333 0.72103752563740 63.546 > 31 32 Cu 0.88325874800722 0.08333333333333 0.72103752563740 63.546 > 31 33 Cu 0.38325874800722 0.41666666666667 0.72103752563740 63.546 > 31 34 Cu 0.88325874800722 0.41666666666667 0.72103752563740 63.546 > 31 35 Cu 0.38325874800722 0.75000000000000 0.72103752563740 63.546 > 31 36 Cu 0.88325874800722 0.75000000000000 0.72103752563740 63.546 > 31 37 Cu 0.36674125199278 0.25000000000000 0.22103752563741 63.546 > 37 38 Cu 0.86674125199278 0.25000000000000 0.22103752563741 63.546 > 37 39 Cu 0.36674125199278 0.58333333333333 0.22103752563741 63.546 > 37 40 Cu 0.86674125199278 0.58333333333333 0.22103752563741 63.546 > 37 41 Cu 0.36674125199278 0.91666666666667 0.22103752563741 63.546 > 37 42 Cu 0.86674125199278 0.91666666666667 0.22103752563741 63.546 > 37 43 Cu 0.13325874800723 0.08333333333333 0.77896247436260 63.546 > 43 44 Cu 0.63325874800723 0.08333333333333 0.77896247436260 63.546 > 43 45 Cu 0.13325874800723 0.41666666666667 0.77896247436260 63.546 > 43 46 Cu 0.63325874800723 0.41666666666667 0.77896247436260 63.546 > 43 47 Cu 0.13325874800723 0.75000000000000 0.77896247436260 63.546 > 43 48 Cu 0.63325874800723 0.75000000000000 0.77896247436260 63.546 > 43 49 Pb 0.13980727336516 0.25000000000000 0.99860427028414 207.200 > 49 50 Pb 0.63980727336516 0.25000000000000 0.99860427028414 207.200 > 49 51 Pb 0.13980727336516 0.58333333333333 0.99860427028414 207.200 > 49 52 Pb 0.63980727336516 0.58333333333333 0.99860427028414 207.200 > 49 53 Pb 0.13980727336516 0.91666666666667 0.99860427028414 207.200 > 49 54 Pb 0.63980727336516 0.91666666666667 0.99860427028414 207.200 > 49 55 Pb 0.36019272663484 0.08333333333333 0.00139572971586 207.200 > 55 56 Pb 0.86019272663484 0.08333333333333 0.00139572971586 207.200 > 55 57 Pb 0.36019272663484 0.41666666666667 0.00139572971586 207.200 > 55 58 Pb 0.86019272663484 0.41666666666667 0.00139572971586 207.200 > 55 59 Pb 0.36019272663484 0.75000000000000 0.00139572971586 207.200 > 55 60 Pb 0.86019272663484 0.75000000000000 0.00139572971586 207.200 > 55 61 Pb 0.38980727336516 0.25000000000000 0.50139572971586 207.200 > 61 62 Pb 0.88980727336516 0.25000000000000 0.50139572971586 207.200 > 61 63 Pb 0.38980727336516 0.58333333333333 0.50139572971586 207.200 > 61 64 Pb 0.88980727336516 0.58333333333333 0.50139572971586 207.200 > 61 65 Pb 0.38980727336516 0.91666666666667 0.50139572971586 207.200 > 61 66 Pb 0.88980727336516 0.91666666666667 0.50139572971586 207.200 > 61 67 Pb 0.11019272663484 0.08333333333333 0.49860427028414 207.200 > 67 68 Pb 0.61019272663484 0.08333333333333 0.49860427028414 207.200 > 67 69 Pb 0.11019272663484 0.41666666666667 0.49860427028414 207.200 > 67 70 Pb 0.61019272663484 0.41666666666667 0.49860427028414 207.200 > 67 71 Pb 0.11019272663484 0.75000000000000 0.49860427028414 207.200 > 67 72 Pb 0.61019272663484 0.75000000000000 0.49860427028414 207.200 > 67 73 S 0.38244743664127 0.25000000000000 0.82633083630196 32.065 > 73 74 S 0.88244743664127 0.25000000000000 0.82633083630196 32.065 > 73 75 S 0.38244743664127 0.58333333333333 0.82633083630196 32.065 > 73 76 S 0.88244743664127 0.58333333333333 0.82633083630196 32.065 > 73 77 S 0.38244743664127 0.91666666666667 0.82633083630196 32.065 > 73 78 S 0.88244743664127 0.91666666666667 0.82633083630196 32.065 > 73 79 S 0.11755256335873 0.08333333333333 0.17366916369804 32.065 > 79 80 S 0.61755256335873 0.08333333333333 0.17366916369804 32.065 > 79 81 S 0.11755256335873 0.41666666666667 0.17366916369804 32.065 > 79 82 S 0.61755256335873 0.41666666666667 0.17366916369804 32.065 > 79 83 S 0.11755256335873 0.75000000000000 0.17366916369804 32.065 > 79 84 S 0.61755256335873 0.75000000000000 0.17366916369804 32.065 > 79 85 S 0.13244743664127 0.25000000000000 0.67366916369804 32.065 > 85 86 S 0.63244743664127 0.25000000000000 0.67366916369804 32.065 > 85 87 S 0.13244743664127 0.58333333333333 0.67366916369804 32.065 > 85 88 S 0.63244743664127 0.58333333333333 0.67366916369804 32.065 > 85 89 S 0.13244743664127 0.91666666666667 0.67366916369804 32.065 > 85 90 S 0.63244743664127 0.91666666666667 0.67366916369804 32.065 > 85 91 S 0.36755256335873 0.08333333333333 0.32633083630196 32.065 > 91 92 S 0.86755256335873 0.08333333333333 0.32633083630196 32.065 > 91 93 S 0.36755256335873 0.41666666666667 0.32633083630196 32.065 > 91 94 S 0.86755256335873 0.41666666666667 0.32633083630196 32.065 > 91 95 S 0.36755256335873 0.75000000000000 0.32633083630196 32.065 > 91 96 S 0.86755256335873 0.75000000000000 0.32633083630196 32.065 > 91 97 S 0.27340892728760 0.25000000000000 0.11692893224121 32.065 > 97 98 S 0.77340892728760 0.25000000000000 0.11692893224121 32.065 > 97 99 S 0.27340892728760 0.58333333333333 0.11692893224121 32.065 > 97 100 S 0.77340892728760 0.58333333333333 0.11692893224121 32.065 > 97 101 S 0.27340892728760 0.91666666666667 0.11692893224121 32.065 > 97 102 S 0.77340892728760 0.91666666666667 0.11692893224121 32.065 > 97 103 S 0.22659107271240 0.08333333333333 0.88307106775879 32.065 > 103 104 S 0.72659107271240 0.08333333333333 0.88307106775879 32.065 > 103 105 S 0.22659107271240 0.41666666666667 0.88307106775879 32.065 > 103 106 S 0.72659107271240 0.41666666666667 0.88307106775879 32.065 > 103 107 S 0.22659107271240 0.75000000000000 0.88307106775879 32.065 > 103 108 S 0.72659107271240 0.75000000000000 0.88307106775879 32.065 > 103 109 S 0.02340892728760 0.25000000000000 0.38307106775879 32.065 > 109 110 S 0.52340892728760 0.25000000000000 0.38307106775879 32.065 > 109 111 S 0.02340892728760 0.58333333333333 0.38307106775879 32.065 > 109 112 S 0.52340892728760 0.58333333333333 0.38307106775879 32.065 > 109 113 S 0.02340892728760 0.91666666666667 0.38307106775879 32.065 > 109 114 S 0.52340892728760 0.91666666666667 0.38307106775879 32.065 > 109 115 S 0.47659107271240 0.08333333333333 0.61692893224121 32.065 > 115 116 S 0.97659107271240 0.08333333333333 0.61692893224121 32.065 > 115 117 S 0.47659107271240 0.41666666666667 0.61692893224121 32.065 > 115 118 S 0.97659107271240 0.41666666666667 0.61692893224121 32.065 > 115 119 S 0.47659107271240 0.75000000000000 0.61692893224121 32.065 > 115 120 S 0.97659107271240 0.75000000000000 0.61692893224121 32.065 > 115 121 S 0.45375083166038 0.25000000000000 0.10624947503304 32.065 > 121 122 S 0.95375083166038 0.25000000000000 0.10624947503304 32.065 > 121 123 S 0.45375083166038 0.58333333333333 0.10624947503304 32.065 > 121 124 S 0.95375083166038 0.58333333333333 0.10624947503304 32.065 > 121 125 S 0.45375083166038 0.91666666666667 0.10624947503304 32.065 > 121 126 S 0.95375083166038 0.91666666666667 0.10624947503304 32.065 > 121 127 S 0.04624916833962 0.08333333333333 0.89375052496697 32.065 > 127 128 S 0.54624916833962 0.08333333333333 0.89375052496697 32.065 > 127 129 S 0.04624916833962 0.41666666666667 0.89375052496697 32.065 > 127 130 S 0.54624916833962 0.41666666666667 0.89375052496697 32.065 > 127 131 S 0.04624916833962 0.75000000000000 0.89375052496697 32.065 > 127 132 S 0.54624916833962 0.75000000000000 0.89375052496697 32.065 > 127 133 S 0.20375083166038 0.25000000000000 0.39375052496696 32.065 > 133 134 S 0.70375083166038 0.25000000000000 0.39375052496696 32.065 > 133 135 S 0.20375083166038 0.58333333333333 0.39375052496696 32.065 > 133 136 S 0.70375083166038 0.58333333333333 0.39375052496696 32.065 > 133 137 S 0.20375083166038 0.91666666666667 0.39375052496696 32.065 > 133 138 S 0.70375083166038 0.91666666666667 0.39375052496696 32.065 > 133 139 S 0.29624916833962 0.08333333333333 0.60624947503303 32.065 > 139 140 S 0.79624916833962 0.08333333333333 0.60624947503303 32.065 > 139 141 S 0.29624916833962 0.41666666666667 0.60624947503303 32.065 > 139 142 S 0.79624916833962 0.41666666666667 0.60624947503303 32.065 > 139 143 S 0.29624916833962 0.75000000000000 0.60624947503303 32.065 > 139 144 S 0.79624916833962 0.75000000000000 0.60624947503303 32.065 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.0492295 0.0000000 0.0000000 0.0000000 11.2445606 0.0000000 0.0000000 0.0000000 9.8988449 -------------------------- Born effective charges -------------------------- 1 Y 4.8418129 0.0000000 -0.9764527 0.0000000 4.2967282 0.0000000 0.2314172 0.0000000 3.0442859 2 Y 4.8418129 0.0000000 -0.9764527 0.0000000 4.2967282 0.0000000 0.2314172 0.0000000 3.0442859 3 Y 4.8418129 0.0000000 0.9764527 0.0000000 4.2967282 0.0000000 -0.2314172 0.0000000 3.0442859 4 Y 4.8418129 0.0000000 0.9764527 0.0000000 4.2967282 0.0000000 -0.2314172 0.0000000 3.0442859 5 Cu 0.1488563 0.0000000 -0.1796706 0.0000000 0.6550642 0.0000000 -0.1512122 0.0000000 0.6393963 6 Cu 0.1488563 0.0000000 -0.1796706 0.0000000 0.6550642 0.0000000 -0.1512122 0.0000000 0.6393963 7 Cu 0.1488563 0.0000000 0.1796706 0.0000000 0.6550642 0.0000000 0.1512122 0.0000000 0.6393963 8 Cu 0.1488563 0.0000000 0.1796706 0.0000000 0.6550642 0.0000000 0.1512122 0.0000000 0.6393963 9 Pb 3.6232882 0.0000000 -0.0026987 0.0000000 4.6793682 0.0000000 0.4414115 0.0000000 4.5591482 10 Pb 3.6232882 0.0000000 -0.0026987 0.0000000 4.6793682 0.0000000 0.4414115 0.0000000 4.5591482 11 Pb 3.6232882 0.0000000 0.0026987 0.0000000 4.6793682 0.0000000 -0.4414115 0.0000000 4.5591482 12 Pb 3.6232882 0.0000000 0.0026987 0.0000000 4.6793682 0.0000000 -0.4414115 0.0000000 4.5591482 13 S -3.2982466 0.0000000 0.4823801 0.0000000 -2.6853729 0.0000000 0.2823760 0.0000000 -2.5783892 14 S -3.2982466 0.0000000 0.4823801 0.0000000 -2.6853729 0.0000000 0.2823760 0.0000000 -2.5783892 15 S -3.2982466 0.0000000 -0.4823801 0.0000000 -2.6853729 0.0000000 -0.2823760 0.0000000 -2.5783892 16 S -3.2982466 0.0000000 -0.4823801 0.0000000 -2.6853729 0.0000000 -0.2823760 0.0000000 -2.5783892 17 S -2.8502262 0.0000000 0.6434419 0.0000000 -3.4523401 0.0000000 0.0867251 0.0000000 -3.0094726 18 S -2.8502262 0.0000000 0.6434419 0.0000000 -3.4523401 0.0000000 0.0867251 0.0000000 -3.0094726 19 S -2.8502262 0.0000000 -0.6434419 0.0000000 -3.4523401 0.0000000 -0.0867251 0.0000000 -3.0094726 20 S -2.8502262 0.0000000 -0.6434419 0.0000000 -3.4523401 0.0000000 -0.0867251 0.0000000 -3.0094726 21 S -2.4654847 0.0000000 -1.2828912 0.0000000 -3.4934477 0.0000000 -0.7989148 0.0000000 -2.6549686 22 S -2.4654847 0.0000000 -1.2828912 0.0000000 -3.4934477 0.0000000 -0.7989148 0.0000000 -2.6549686 23 S -2.4654847 0.0000000 1.2828912 0.0000000 -3.4934477 0.0000000 0.7989148 0.0000000 -2.6549686 24 S -2.4654847 0.0000000 1.2828912 0.0000000 -3.4934477 0.0000000 0.7989148 0.0000000 -2.6549686 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) 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 ... [ 5 13 4 ] 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: 0.52, Number of G-points: 283, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 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 0.859 ( 0.000 0.000 0.000) 0.000 0.861 ( 0.000 0.000 0.000) 0.000 0.924 ( 0.000 0.000 0.000) 0.000 0.954 ( 0.000 0.000 0.000) 0.000 1.283 ( 0.000 0.000 0.000) 0.000 1.323 ( 0.000 0.000 0.000) 0.000 1.398 ( 0.000 0.000 0.000) 0.000 1.431 ( 0.000 0.000 0.000) 0.000 1.440 ( 0.000 0.000 0.000) 0.000 1.651 ( 0.000 0.000 0.000) 0.000 1.821 ( 0.000 0.000 0.000) 0.000 1.871 ( 0.000 0.000 0.000) 0.000 2.130 ( 0.000 0.000 0.000) 0.000 2.305 ( 0.000 0.000 0.000) 0.000 2.407 ( 0.000 0.000 0.000) 0.000 2.500 ( 0.000 0.000 0.000) 0.000 2.556 ( 0.000 0.000 0.000) 0.000 2.659 ( 0.000 0.000 0.000) 0.000 2.729 ( 0.000 0.000 0.000) 0.000 2.756 ( 0.000 0.000 0.000) 0.000 2.783 ( 0.000 0.000 0.000) 0.000 2.787 ( 0.000 0.000 0.000) 0.000 2.836 ( 0.000 0.000 0.000) 0.000 2.966 ( 0.000 0.000 0.000) 0.000 3.181 ( 0.000 0.000 0.000) 0.000 3.345 ( 0.000 0.000 0.000) 0.000 3.408 ( 0.000 0.000 0.000) 0.000 3.493 ( 0.000 0.000 0.000) 0.000 3.521 ( 0.000 0.000 0.000) 0.000 3.855 ( 0.000 0.000 0.000) 0.000 3.964 ( 0.000 0.000 0.000) 0.000 5.058 ( 0.000 0.000 0.000) 0.000 5.249 ( 0.000 0.000 0.000) 0.000 5.695 ( 0.000 0.000 0.000) 0.000 5.834 ( 0.000 0.000 0.000) 0.000 5.921 ( 0.000 0.000 0.000) 0.000 5.936 ( 0.000 0.000 0.000) 0.000 6.037 ( 0.000 0.000 0.000) 0.000 6.099 ( 0.000 0.000 0.000) 0.000 6.287 ( 0.000 0.000 0.000) 0.000 6.421 ( 0.000 0.000 0.000) 0.000 6.435 ( 0.000 0.000 0.000) 0.000 6.545 ( 0.000 0.000 0.000) 0.000 6.548 ( 0.000 0.000 0.000) 0.000 6.567 ( 0.000 0.000 0.000) 0.000 6.714 ( 0.000 0.000 0.000) 0.000 6.736 ( 0.000 0.000 0.000) 0.000 6.776 ( 0.000 0.000 0.000) 0.000 6.777 ( 0.000 0.000 0.000) 0.000 6.801 ( 0.000 0.000 0.000) 0.000 6.808 ( 0.000 0.000 0.000) 0.000 7.019 ( 0.000 0.000 0.000) 0.000 7.034 ( 0.000 0.000 0.000) 0.000 7.394 ( 0.000 0.000 0.000) 0.000 7.416 ( 0.000 0.000 0.000) 0.000 7.427 ( 0.000 0.000 0.000) 0.000 7.686 ( 0.000 0.000 0.000) 0.000 7.821 ( 0.000 0.000 0.000) 0.000 7.899 ( 0.000 0.000 0.000) 0.000 8.129 ( 0.000 0.000 0.000) 0.000 8.172 ( 0.000 0.000 0.000) 0.000 8.248 ( 0.000 0.000 0.000) 0.000 8.361 ( 0.000 0.000 0.000) 0.000 8.371 ( 0.000 0.000 0.000) 0.000 8.535 ( 0.000 0.000 0.000) 0.000 8.722 ( 0.000 0.000 0.000) 0.000 8.843 ( 0.000 0.000 0.000) 0.000 8.857 ( 0.000 0.000 0.000) 0.000 8.973 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.373 ( 18.242 0.000 0.000) 18.242 0.442 ( 19.243 0.000 0.000) 19.243 0.722 ( 23.079 0.000 0.000) 23.079 0.853 ( -0.830 0.000 0.000) 0.830 0.865 ( 0.594 0.000 0.000) 0.594 0.918 ( -0.608 0.000 0.000) 0.608 1.066 ( 10.027 0.000 0.000) 10.027 1.257 ( -4.812 0.000 0.000) 4.812 1.349 ( 7.272 0.000 0.000) 7.272 1.424 ( -6.240 0.000 0.000) 6.240 1.505 ( 5.566 0.000 0.000) 5.566 1.675 ( 17.757 0.000 0.000) 17.757 1.839 ( -3.167 0.000 0.000) 3.167 1.877 ( 5.368 0.000 0.000) 5.368 1.944 ( 18.124 0.000 0.000) 18.124 2.192 ( -10.761 0.000 0.000) 10.761 2.255 ( 10.547 0.000 0.000) 10.547 2.338 ( -6.098 0.000 0.000) 6.098 2.484 ( -1.771 0.000 0.000) 1.771 2.563 ( 1.205 0.000 0.000) 1.205 2.659 ( -7.287 0.000 0.000) 7.287 2.690 ( 2.240 0.000 0.000) 2.240 2.747 ( 1.377 0.000 0.000) 1.377 2.755 ( -0.090 0.000 0.000) 0.090 2.782 ( -0.089 0.000 0.000) 0.089 2.894 ( 1.556 0.000 0.000) 1.556 3.154 ( -3.054 0.000 0.000) 3.054 3.285 ( 2.910 0.000 0.000) 2.910 3.354 ( 0.938 0.000 0.000) 0.938 3.355 ( -5.634 0.000 0.000) 5.634 3.480 ( -1.577 0.000 0.000) 1.577 3.496 ( -2.282 0.000 0.000) 2.282 3.972 ( 4.620 0.000 0.000) 4.620 4.045 ( 8.079 0.000 0.000) 8.079 4.879 ( -16.900 0.000 0.000) 16.900 5.091 ( -15.345 0.000 0.000) 15.345 5.696 ( 0.191 0.000 0.000) 0.191 5.788 ( -3.134 0.000 0.000) 3.134 5.963 ( 2.723 0.000 0.000) 2.723 6.034 ( -0.286 0.000 0.000) 0.286 6.166 ( 5.935 0.000 0.000) 5.935 6.301 ( 1.423 0.000 0.000) 1.423 6.424 ( -1.119 0.000 0.000) 1.119 6.432 ( 1.085 0.000 0.000) 1.085 6.481 ( -3.458 0.000 0.000) 3.458 6.548 ( -1.738 0.000 0.000) 1.738 6.630 ( 5.177 0.000 0.000) 5.177 6.719 ( 0.501 0.000 0.000) 0.501 6.731 ( 0.049 0.000 0.000) 0.049 6.770 ( -0.698 0.000 0.000) 0.698 6.791 ( -0.891 0.000 0.000) 0.891 6.792 ( 3.000 0.000 0.000) 3.000 6.826 ( 1.941 0.000 0.000) 1.941 7.023 ( 0.280 0.000 0.000) 0.280 7.025 ( -3.701 0.000 0.000) 3.701 7.034 ( -0.025 0.000 0.000) 0.025 7.375 ( -4.672 0.000 0.000) 4.672 7.382 ( -2.115 0.000 0.000) 2.115 7.565 ( -4.608 0.000 0.000) 4.608 7.772 ( -4.268 0.000 0.000) 4.268 7.846 ( 6.011 0.000 0.000) 6.011 8.105 ( -2.358 0.000 0.000) 2.358 8.195 ( 0.892 0.000 0.000) 0.892 8.203 ( 2.458 0.000 0.000) 2.458 8.298 ( 5.588 0.000 0.000) 5.588 8.384 ( 1.989 0.000 0.000) 1.989 8.599 ( 5.181 0.000 0.000) 5.181 8.702 ( -0.715 0.000 0.000) 0.715 8.826 ( -4.303 0.000 0.000) 4.303 8.883 ( 2.314 0.000 0.000) 2.314 8.984 ( 2.844 0.000 0.000) 2.844 9.218 ( -1.516 0.000 0.000) 1.516 ======================= Grid point 2 (3/63) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 15.159 0.000 0.000) 15.159 0.718 ( 8.690 0.000 0.000) 8.690 0.821 ( -2.789 0.000 0.000) 2.789 0.881 ( 0.961 0.000 0.000) 0.961 0.901 ( -0.996 0.000 0.000) 0.996 0.908 ( -1.127 0.000 0.000) 1.127 1.095 ( -2.936 0.000 0.000) 2.936 1.153 ( -5.503 0.000 0.000) 5.503 1.549 ( 12.371 0.000 0.000) 12.371 1.582 ( 15.692 0.000 0.000) 15.692 1.629 ( 6.686 0.000 0.000) 6.686 1.744 ( -6.521 0.000 0.000) 6.521 1.765 ( -4.649 0.000 0.000) 4.649 1.914 ( -16.497 0.000 0.000) 16.497 2.018 ( 8.410 0.000 0.000) 8.410 2.189 ( -8.528 0.000 0.000) 8.528 2.357 ( 14.511 0.000 0.000) 14.511 2.449 ( -1.421 0.000 0.000) 1.421 2.544 ( 3.682 0.000 0.000) 3.682 2.590 ( 0.441 0.000 0.000) 0.441 2.683 ( 21.522 0.000 0.000) 21.522 2.728 ( 1.491 0.000 0.000) 1.491 2.749 ( -0.635 0.000 0.000) 0.635 2.770 ( 0.832 0.000 0.000) 0.832 2.780 ( -0.224 0.000 0.000) 0.224 2.938 ( 5.524 0.000 0.000) 5.524 3.033 ( -10.384 0.000 0.000) 10.384 3.165 ( -13.769 0.000 0.000) 13.769 3.359 ( 4.079 0.000 0.000) 4.079 3.383 ( 2.069 0.000 0.000) 2.069 3.429 ( -3.125 0.000 0.000) 3.125 3.440 ( -3.311 0.000 0.000) 3.311 4.134 ( 12.457 0.000 0.000) 12.457 4.291 ( 17.118 0.000 0.000) 17.118 4.475 ( -21.195 0.000 0.000) 21.195 4.698 ( -22.427 0.000 0.000) 22.427 5.706 ( 0.886 0.000 0.000) 0.886 5.735 ( -2.117 0.000 0.000) 2.117 6.005 ( 1.499 0.000 0.000) 1.499 6.025 ( -0.666 0.000 0.000) 0.666 6.293 ( 6.229 0.000 0.000) 6.229 6.342 ( 2.544 0.000 0.000) 2.544 6.391 ( -2.204 0.000 0.000) 2.204 6.401 ( -4.703 0.000 0.000) 4.703 6.462 ( 1.906 0.000 0.000) 1.906 6.506 ( -2.371 0.000 0.000) 2.371 6.733 ( 0.885 0.000 0.000) 0.885 6.741 ( 0.874 0.000 0.000) 0.874 6.745 ( 4.608 0.000 0.000) 4.608 6.752 ( -1.003 0.000 0.000) 1.003 6.773 ( 0.842 0.000 0.000) 0.842 6.848 ( 0.657 0.000 0.000) 0.657 6.879 ( 2.665 0.000 0.000) 2.665 6.926 ( -4.793 0.000 0.000) 4.793 7.028 ( 0.280 0.000 0.000) 0.280 7.033 ( -0.131 0.000 0.000) 0.131 7.282 ( -3.265 0.000 0.000) 3.265 7.296 ( -4.480 0.000 0.000) 4.480 7.572 ( 4.049 0.000 0.000) 4.049 7.673 ( -5.442 0.000 0.000) 5.442 7.951 ( 4.740 0.000 0.000) 4.740 8.038 ( -4.113 0.000 0.000) 4.113 8.214 ( 1.119 0.000 0.000) 1.119 8.230 ( -0.108 0.000 0.000) 0.108 8.431 ( 6.921 0.000 0.000) 6.921 8.476 ( 6.325 0.000 0.000) 6.325 8.581 ( -3.755 0.000 0.000) 3.755 8.680 ( -9.152 0.000 0.000) 9.152 8.801 ( 7.309 0.000 0.000) 7.309 8.898 ( -1.867 0.000 0.000) 1.867 9.076 ( 5.324 0.000 0.000) 5.324 9.167 ( -3.656 0.000 0.000) 3.656 ======================= Grid point 5 (4/63) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( 0.000 20.250 0.000) 20.250 0.472 ( 0.000 23.186 0.000) 23.186 0.824 ( 0.000 36.404 0.000) 36.404 1.003 ( 0.000 6.426 0.000) 6.426 1.021 ( 0.000 13.922 0.000) 13.922 1.029 ( 0.000 15.005 0.000) 15.005 1.040 ( 0.000 9.832 0.000) 9.832 1.280 ( 0.000 -3.422 0.000) 3.422 1.425 ( 0.000 -0.391 0.000) 0.391 1.458 ( 0.000 2.375 0.000) 2.375 1.461 ( 0.000 6.541 0.000) 6.541 1.612 ( 0.000 -3.069 0.000) 3.069 1.745 ( 0.000 -9.205 0.000) 9.205 1.793 ( 0.000 -1.936 0.000) 1.936 2.104 ( 0.000 6.730 0.000) 6.730 2.190 ( 0.000 4.264 0.000) 4.264 2.321 ( 0.000 -5.625 0.000) 5.625 2.350 ( 0.000 -0.600 0.000) 0.600 2.565 ( 0.000 4.383 0.000) 4.383 2.624 ( 0.000 9.355 0.000) 9.355 2.807 ( 0.000 2.920 0.000) 2.920 2.808 ( 0.000 1.381 0.000) 1.381 2.810 ( 0.000 13.625 0.000) 13.625 2.844 ( 0.000 10.453 0.000) 10.453 2.892 ( 0.000 9.300 0.000) 9.300 2.912 ( 0.000 12.191 0.000) 12.191 3.002 ( 0.000 3.509 0.000) 3.509 3.187 ( 0.000 0.763 0.000) 0.763 3.346 ( 0.000 -0.028 0.000) 0.028 3.392 ( 0.000 -1.691 0.000) 1.691 3.440 ( 0.000 -4.515 0.000) 4.515 3.487 ( 0.000 -2.710 0.000) 2.710 3.844 ( 0.000 -1.129 0.000) 1.129 3.953 ( 0.000 -1.225 0.000) 1.225 5.052 ( 0.000 -0.552 0.000) 0.552 5.215 ( 0.000 -3.245 0.000) 3.245 5.918 ( 0.000 -1.275 0.000) 1.275 5.959 ( 0.000 11.358 0.000) 11.358 5.962 ( 0.000 3.424 0.000) 3.424 6.081 ( 0.000 -1.055 0.000) 1.055 6.122 ( 0.000 7.225 0.000) 7.225 6.277 ( 0.000 -0.518 0.000) 0.518 6.351 ( 0.000 4.507 0.000) 4.507 6.411 ( 0.000 -0.436 0.000) 0.436 6.572 ( 0.000 2.041 0.000) 2.041 6.592 ( 0.000 2.499 0.000) 2.499 6.627 ( 0.000 7.108 0.000) 7.108 6.728 ( 0.000 3.658 0.000) 3.658 6.742 ( 0.000 -0.933 0.000) 0.933 6.746 ( 0.000 0.983 0.000) 0.983 6.789 ( 0.000 -0.944 0.000) 0.944 6.906 ( 0.000 7.229 0.000) 7.229 6.912 ( 0.000 10.868 0.000) 10.868 7.060 ( 0.000 3.845 0.000) 3.845 7.073 ( 0.000 3.537 0.000) 3.537 7.393 ( 0.000 0.076 0.000) 0.076 7.421 ( 0.000 -0.689 0.000) 0.689 7.433 ( 0.000 1.702 0.000) 1.702 7.650 ( 0.000 -3.471 0.000) 3.471 7.835 ( 0.000 1.361 0.000) 1.361 7.863 ( 0.000 -3.562 0.000) 3.562 8.104 ( 0.000 -2.620 0.000) 2.620 8.158 ( 0.000 -4.088 0.000) 4.088 8.177 ( 0.000 -3.743 0.000) 3.743 8.324 ( 0.000 -3.741 0.000) 3.741 8.345 ( 0.000 -2.535 0.000) 2.535 8.511 ( 0.000 -2.060 0.000) 2.060 8.514 ( 0.000 -0.085 0.000) 0.085 8.685 ( 0.000 -3.558 0.000) 3.558 8.831 ( 0.000 -3.225 0.000) 3.225 8.833 ( 0.000 -0.962 0.000) 0.962 8.901 ( 0.000 -6.079 0.000) 6.079 ======================= Grid point 6 (5/63) ======================= q-point: ( 0.20 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 9.259 16.886 0.000) 19.258 0.583 ( 9.369 11.780 0.000) 15.052 0.962 ( 5.878 12.837 0.000) 14.119 1.010 ( -0.873 12.940 0.000) 12.969 1.019 ( -0.310 12.312 0.000) 12.316 1.041 ( -0.053 10.677 0.000) 10.677 1.158 ( 11.457 14.250 0.000) 18.285 1.230 ( -4.078 -1.831 0.000) 4.470 1.384 ( 0.611 4.275 0.000) 4.318 1.473 ( 3.958 -2.367 0.000) 4.612 1.691 ( 8.174 0.757 0.000) 8.209 1.719 ( -2.595 -8.163 0.000) 8.566 1.753 ( -1.449 13.313 0.000) 13.392 1.841 ( 14.029 1.840 0.000) 14.150 2.002 ( 12.552 6.486 0.000) 14.129 2.249 ( -6.518 -0.501 0.000) 6.537 2.287 ( 10.113 3.264 0.000) 10.627 2.347 ( -1.798 -0.392 0.000) 1.841 2.516 ( -3.858 5.428 0.000) 6.660 2.596 ( -1.568 6.439 0.000) 6.627 2.670 ( -7.114 2.573 0.000) 7.565 2.832 ( 1.596 12.390 0.000) 12.493 2.846 ( 0.252 5.776 0.000) 5.782 2.868 ( 1.766 10.774 0.000) 10.918 2.909 ( -0.255 12.076 0.000) 12.079 2.914 ( 1.439 4.683 0.000) 4.899 3.163 ( -2.743 1.058 0.000) 2.940 3.175 ( 8.747 -3.616 0.000) 9.465 3.344 ( -5.179 -0.942 0.000) 5.264 3.354 ( 0.828 -0.089 0.000) 0.833 3.429 ( -1.258 -4.262 0.000) 4.444 3.466 ( -1.889 -2.502 0.000) 3.136 3.922 ( 6.834 -2.495 0.000) 7.276 4.029 ( 7.598 -1.657 0.000) 7.776 4.874 ( -16.857 -0.478 0.000) 16.864 5.057 ( -15.374 -3.276 0.000) 15.719 5.885 ( -2.073 7.860 0.000) 8.129 5.904 ( -2.617 9.308 0.000) 9.668 6.012 ( 2.223 5.311 0.000) 5.757 6.089 ( -0.270 3.545 0.000) 3.556 6.154 ( 3.647 0.679 0.000) 3.710 6.278 ( -0.038 -1.601 0.000) 1.602 6.393 ( 3.149 -0.521 0.000) 3.192 6.418 ( 0.801 -0.275 0.000) 0.847 6.554 ( -1.422 4.792 0.000) 4.998 6.557 ( -2.669 2.980 0.000) 4.000 6.656 ( 2.408 3.641 0.000) 4.365 6.734 ( -0.185 -0.015 0.000) 0.185 6.751 ( 1.420 2.983 0.000) 3.304 6.768 ( 1.026 1.834 0.000) 2.101 6.795 ( 1.418 1.591 0.000) 2.131 6.911 ( -0.047 9.517 0.000) 9.517 6.917 ( 1.285 7.163 0.000) 7.277 7.065 ( 0.403 3.966 0.000) 3.987 7.071 ( -0.171 3.335 0.000) 3.340 7.228 ( -11.862 9.951 0.000) 15.483 7.372 ( -4.408 -0.335 0.000) 4.421 7.398 ( -2.665 1.639 0.000) 3.129 7.550 ( -4.650 -1.878 0.000) 5.015 7.779 ( -4.676 0.592 0.000) 4.713 7.855 ( 3.193 -0.144 0.000) 3.196 8.079 ( -2.527 -2.712 0.000) 3.706 8.177 ( 0.388 -2.234 0.000) 2.267 8.196 ( 0.226 -0.725 0.000) 0.759 8.241 ( 6.886 -4.528 0.000) 8.241 8.364 ( 1.985 -2.016 0.000) 2.829 8.570 ( 4.286 -2.689 0.000) 5.060 8.663 ( -0.522 -3.675 0.000) 3.712 8.778 ( -5.505 -5.087 0.000) 7.495 8.866 ( 2.051 -1.572 0.000) 2.584 8.923 ( 13.555 -17.223 0.000) 21.918 8.932 ( 3.473 -4.363 0.000) 5.577 ======================= Grid point 7 (6/63) ======================= q-point: ( 0.40 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 5.553 3.750 0.000) 6.700 0.753 ( 5.478 6.932 0.000) 8.835 1.009 ( 2.303 12.113 0.000) 12.330 1.020 ( 0.435 11.974 0.000) 11.982 1.034 ( -0.540 11.687 0.000) 11.700 1.054 ( 4.215 6.240 0.000) 7.530 1.137 ( -7.890 8.460 0.000) 11.568 1.141 ( -4.571 0.907 0.000) 4.660 1.521 ( 6.844 2.991 0.000) 7.469 1.565 ( 4.724 -4.240 0.000) 6.348 1.649 ( -3.969 -4.408 0.000) 5.931 1.685 ( -4.184 -4.906 0.000) 6.448 1.823 ( 11.037 14.200 0.000) 17.985 2.065 ( -11.720 7.304 0.000) 13.810 2.115 ( 8.916 5.722 0.000) 10.594 2.263 ( -6.327 4.034 0.000) 7.503 2.375 ( 14.026 3.502 0.000) 14.457 2.462 ( -1.283 4.495 0.000) 4.675 2.558 ( 0.179 2.876 0.000) 2.881 2.582 ( -0.522 2.024 0.000) 2.090 2.684 ( 22.292 2.040 0.000) 22.385 2.857 ( 0.577 11.257 0.000) 11.272 2.867 ( 2.352 8.397 0.000) 8.720 2.894 ( 0.719 10.585 0.000) 10.609 2.905 ( -0.002 11.507 0.000) 11.507 2.952 ( 4.531 3.024 0.000) 5.447 3.054 ( -9.225 2.520 0.000) 9.563 3.163 ( -13.343 0.188 0.000) 13.344 3.304 ( 5.040 -3.303 0.000) 6.026 3.379 ( 1.759 -0.389 0.000) 1.801 3.385 ( -3.201 -3.594 0.000) 4.813 3.422 ( -2.414 -1.441 0.000) 2.811 4.114 ( 13.444 -1.564 0.000) 13.535 4.264 ( 16.586 -2.659 0.000) 16.798 4.468 ( -21.512 -0.618 0.000) 21.521 4.664 ( -22.290 -3.246 0.000) 22.525 5.858 ( -0.561 11.166 0.000) 11.180 5.864 ( -1.237 10.567 0.000) 10.639 6.048 ( 1.528 4.368 0.000) 4.627 6.074 ( -1.069 4.445 0.000) 4.572 6.229 ( 3.149 -3.399 0.000) 4.634 6.269 ( -1.030 -3.571 0.000) 3.717 6.444 ( 1.683 -0.760 0.000) 1.847 6.451 ( 2.159 -2.058 0.000) 2.983 6.508 ( -1.707 5.761 0.000) 6.008 6.521 ( -1.889 6.609 0.000) 6.873 6.702 ( 1.734 1.583 0.000) 2.348 6.725 ( -0.793 1.376 0.000) 1.588 6.767 ( 0.838 1.247 0.000) 1.502 6.779 ( -0.025 1.962 0.000) 1.962 6.856 ( 3.816 5.549 0.000) 6.734 6.907 ( -0.837 5.760 0.000) 5.820 6.962 ( 3.237 7.293 0.000) 7.979 7.048 ( -5.812 8.546 0.000) 10.335 7.070 ( 0.236 3.239 0.000) 3.248 7.076 ( -0.296 4.768 0.000) 4.777 7.284 ( -3.167 0.403 0.000) 3.193 7.298 ( -4.752 0.280 0.000) 4.760 7.568 ( 4.457 -0.441 0.000) 4.479 7.674 ( -5.685 -0.017 0.000) 5.685 7.932 ( 4.078 -1.789 0.000) 4.453 8.012 ( -3.938 -2.569 0.000) 4.702 8.194 ( 1.142 -1.955 0.000) 2.264 8.210 ( -0.077 -1.916 0.000) 1.918 8.389 ( 7.432 -3.769 0.000) 8.333 8.449 ( 6.077 -2.611 0.000) 6.614 8.536 ( -4.609 -4.207 0.000) 6.240 8.629 ( -8.771 -4.854 0.000) 10.024 8.767 ( 7.490 -3.217 0.000) 8.152 8.871 ( -2.390 -2.535 0.000) 3.484 9.011 ( 3.625 -5.775 0.000) 6.819 9.044 ( 0.985 -10.240 0.000) 10.288 ======================= Grid point 10 (7/63) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 0.000 12.685 0.000) 12.685 0.902 ( 0.000 19.002 0.000) 19.002 1.050 ( 0.000 3.606 0.000) 3.606 1.182 ( 0.000 -2.216 0.000) 2.216 1.227 ( 0.000 7.194 0.000) 7.194 1.368 ( 0.000 17.441 0.000) 17.441 1.369 ( 0.000 16.127 0.000) 16.127 1.424 ( 0.000 0.445 0.000) 0.445 1.500 ( 0.000 22.112 0.000) 22.112 1.556 ( 0.000 -1.770 0.000) 1.770 1.557 ( 0.000 7.352 0.000) 7.352 1.583 ( 0.000 -6.351 0.000) 6.351 1.681 ( 0.000 16.704 0.000) 16.704 1.760 ( 0.000 -1.036 0.000) 1.036 2.225 ( 0.000 -3.617 0.000) 3.617 2.265 ( 0.000 8.910 0.000) 8.910 2.266 ( 0.000 3.593 0.000) 3.593 2.289 ( 0.000 -2.584 0.000) 2.584 2.710 ( 0.000 8.256 0.000) 8.256 2.802 ( 0.000 7.646 0.000) 7.646 2.829 ( 0.000 2.165 0.000) 2.165 2.891 ( 0.000 5.403 0.000) 5.403 3.078 ( 0.000 8.863 0.000) 8.863 3.086 ( 0.000 4.209 0.000) 4.209 3.128 ( 0.000 14.259 0.000) 14.259 3.189 ( 0.000 17.698 0.000) 17.698 3.237 ( 0.000 4.753 0.000) 4.753 3.264 ( 0.000 22.092 0.000) 22.092 3.345 ( 0.000 1.717 0.000) 1.717 3.346 ( 0.000 -1.872 0.000) 1.872 3.376 ( 0.000 1.992 0.000) 1.992 3.462 ( 0.000 2.725 0.000) 2.725 3.808 ( 0.000 -2.516 0.000) 2.516 3.908 ( 0.000 -3.501 0.000) 3.501 5.037 ( 0.000 -0.859 0.000) 0.859 5.132 ( 0.000 -4.846 0.000) 4.846 5.905 ( 0.000 0.520 0.000) 0.520 6.024 ( 0.000 2.404 0.000) 2.404 6.083 ( 0.000 1.618 0.000) 1.618 6.193 ( 0.000 7.186 0.000) 7.186 6.274 ( 0.000 7.319 0.000) 7.319 6.310 ( 0.000 7.221 0.000) 7.221 6.410 ( 0.000 -0.049 0.000) 0.049 6.449 ( 0.000 4.870 0.000) 4.870 6.626 ( 0.000 3.562 0.000) 3.562 6.661 ( 0.000 4.102 0.000) 4.102 6.716 ( 0.000 -1.915 0.000) 1.915 6.741 ( 0.000 0.125 0.000) 0.125 6.772 ( 0.000 1.621 0.000) 1.621 6.823 ( 0.000 7.786 0.000) 7.786 6.861 ( 0.000 8.767 0.000) 8.767 7.040 ( 0.000 5.535 0.000) 5.535 7.132 ( 0.000 1.910 0.000) 1.910 7.154 ( 0.000 3.845 0.000) 3.845 7.202 ( 0.000 17.016 0.000) 17.016 7.392 ( 0.000 -2.292 0.000) 2.292 7.410 ( 0.000 1.886 0.000) 1.886 7.483 ( 0.000 3.260 0.000) 3.260 7.570 ( 0.000 -3.454 0.000) 3.454 7.766 ( 0.000 -5.599 0.000) 5.599 7.873 ( 0.000 2.407 0.000) 2.407 8.000 ( 0.000 -7.769 0.000) 7.769 8.020 ( 0.000 -5.700 0.000) 5.700 8.162 ( 0.000 -0.032 0.000) 0.032 8.221 ( 0.000 -5.962 0.000) 5.962 8.275 ( 0.000 -4.370 0.000) 4.370 8.466 ( 0.000 -2.405 0.000) 2.405 8.499 ( 0.000 -1.879 0.000) 1.879 8.597 ( 0.000 -4.533 0.000) 4.533 8.687 ( 0.000 -9.446 0.000) 9.446 8.808 ( 0.000 -1.413 0.000) 1.413 8.815 ( 0.000 -3.095 0.000) 3.095 ======================= Grid point 11 (8/63) ======================= q-point: ( 0.20 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 2.290 9.691 0.000) 9.958 0.935 ( 2.726 17.170 0.000) 17.385 1.069 ( 1.673 2.951 0.000) 3.392 1.122 ( -4.323 -1.975 0.000) 4.753 1.266 ( 2.399 9.047 0.000) 9.360 1.331 ( -1.618 16.138 0.000) 16.219 1.334 ( -2.129 10.034 0.000) 10.258 1.427 ( -4.668 6.351 0.000) 7.882 1.456 ( 2.112 3.004 0.000) 3.672 1.592 ( 1.067 -3.477 0.000) 3.637 1.600 ( 5.546 16.077 0.000) 17.007 1.667 ( -0.735 -2.089 0.000) 2.214 1.891 ( 12.743 6.862 0.000) 14.473 1.936 ( 18.230 6.765 0.000) 19.445 2.199 ( -2.393 -2.340 0.000) 3.347 2.246 ( 5.542 12.884 0.000) 14.026 2.301 ( 0.582 -2.141 0.000) 2.219 2.367 ( 11.066 5.365 0.000) 12.298 2.687 ( -1.966 9.461 0.000) 9.663 2.761 ( -3.580 7.965 0.000) 8.733 2.767 ( -4.330 6.532 0.000) 7.837 2.906 ( 0.766 3.206 0.000) 3.297 3.082 ( -0.011 7.772 0.000) 7.772 3.099 ( 0.999 6.704 0.000) 6.778 3.128 ( -0.206 11.403 0.000) 11.404 3.235 ( 1.630 11.443 0.000) 11.558 3.236 ( -0.459 7.994 0.000) 8.007 3.251 ( 1.009 19.601 0.000) 19.627 3.325 ( -2.281 -1.389 0.000) 2.671 3.362 ( 1.294 4.009 0.000) 4.212 3.382 ( 0.251 3.929 0.000) 3.937 3.433 ( -2.633 2.320 0.000) 3.510 3.875 ( 6.625 -2.601 0.000) 7.118 3.973 ( 6.655 -4.096 0.000) 7.814 4.861 ( -16.733 -0.782 0.000) 16.751 4.972 ( -15.439 -4.819 0.000) 16.174 5.956 ( 4.257 1.381 0.000) 4.475 6.022 ( -0.028 3.074 0.000) 3.074 6.106 ( 1.952 1.143 0.000) 2.262 6.186 ( -0.606 6.188 0.000) 6.217 6.252 ( -1.802 5.806 0.000) 6.079 6.288 ( -1.887 6.002 0.000) 6.292 6.416 ( 0.358 0.066 0.000) 0.364 6.431 ( -1.570 3.553 0.000) 3.884 6.634 ( 0.537 3.779 0.000) 3.817 6.642 ( -0.767 4.960 0.000) 5.019 6.734 ( 1.850 -0.411 0.000) 1.895 6.756 ( 1.611 0.722 0.000) 1.766 6.808 ( 2.191 2.245 0.000) 3.137 6.812 ( -0.348 8.621 0.000) 8.628 6.907 ( 3.585 7.630 0.000) 8.430 7.052 ( 1.259 5.295 0.000) 5.442 7.100 ( -2.980 3.744 0.000) 4.786 7.144 ( -0.785 3.465 0.000) 3.553 7.202 ( -0.186 12.495 0.000) 12.496 7.356 ( -5.415 4.814 0.000) 7.245 7.362 ( -2.471 -0.430 0.000) 2.508 7.435 ( -6.655 1.037 0.000) 6.735 7.520 ( 0.053 1.157 0.000) 1.159 7.786 ( -5.882 -0.055 0.000) 5.882 7.809 ( 3.487 -4.205 0.000) 5.463 7.997 ( -1.967 -5.028 0.000) 5.399 8.090 ( 4.707 -4.788 0.000) 6.714 8.170 ( -1.409 -2.012 0.000) 2.457 8.187 ( 3.599 -1.080 0.000) 3.758 8.306 ( 2.477 -3.670 0.000) 4.427 8.504 ( 2.267 -3.766 0.000) 4.396 8.575 ( -0.238 -4.532 0.000) 4.539 8.633 ( -4.965 -8.375 0.000) 9.736 8.670 ( 11.183 -9.136 0.000) 14.440 8.826 ( 0.887 -2.377 0.000) 2.537 8.846 ( 2.560 -3.944 0.000) 4.702 ======================= Grid point 12 (9/63) ======================= q-point: ( 0.40 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 3.192 7.037 0.000) 7.727 0.938 ( -3.705 9.085 0.000) 9.811 1.083 ( 1.365 1.286 0.000) 1.875 1.098 ( 0.696 2.161 0.000) 2.270 1.292 ( 0.212 12.213 0.000) 12.215 1.308 ( -1.047 13.984 0.000) 14.023 1.314 ( 0.485 9.636 0.000) 9.648 1.347 ( -3.230 8.856 0.000) 9.426 1.513 ( 4.088 -1.220 0.000) 4.266 1.605 ( -4.558 -2.991 0.000) 5.452 1.624 ( 1.920 3.504 0.000) 3.995 1.653 ( -0.331 9.363 0.000) 9.369 2.024 ( 5.157 6.416 0.000) 8.232 2.129 ( -4.722 1.147 0.000) 4.859 2.194 ( 7.434 3.057 0.000) 8.038 2.288 ( -2.436 0.059 0.000) 2.437 2.518 ( 13.329 8.876 0.000) 16.014 2.648 ( -2.048 11.192 0.000) 11.378 2.673 ( 1.323 7.197 0.000) 7.317 2.689 ( -3.050 7.014 0.000) 7.649 2.784 ( 19.944 8.412 0.000) 21.646 2.954 ( 5.572 2.836 0.000) 6.252 3.049 ( -4.605 4.562 0.000) 6.482 3.106 ( -3.521 6.048 0.000) 6.998 3.122 ( 1.424 8.702 0.000) 8.818 3.193 ( -6.111 7.588 0.000) 9.743 3.219 ( -0.586 16.189 0.000) 16.200 3.237 ( -3.892 12.020 0.000) 12.635 3.319 ( 3.258 8.167 0.000) 8.793 3.369 ( -1.812 6.535 0.000) 6.782 3.385 ( 0.886 4.269 0.000) 4.360 3.396 ( -0.571 1.333 0.000) 1.450 4.078 ( 14.537 -2.136 0.000) 14.693 4.187 ( 15.666 -4.968 0.000) 16.435 4.452 ( -22.154 -0.997 0.000) 22.177 4.579 ( -22.249 -5.011 0.000) 22.806 6.024 ( 1.663 5.202 0.000) 5.462 6.028 ( 0.502 4.989 0.000) 5.014 6.144 ( 1.763 0.184 0.000) 1.773 6.171 ( -0.942 3.207 0.000) 3.342 6.227 ( -0.208 4.233 0.000) 4.238 6.248 ( -1.942 4.506 0.000) 4.907 6.412 ( -0.090 0.411 0.000) 0.421 6.417 ( -0.266 -0.587 0.000) 0.645 6.638 ( 0.114 5.718 0.000) 5.719 6.640 ( 0.037 4.781 0.000) 4.781 6.778 ( 2.173 2.908 0.000) 3.631 6.796 ( 1.431 2.493 0.000) 2.874 6.811 ( 0.466 6.974 0.000) 6.990 6.830 ( -0.133 3.108 0.000) 3.111 6.976 ( 2.734 5.574 0.000) 6.209 7.031 ( -3.445 4.076 0.000) 5.337 7.097 ( 3.788 3.238 0.000) 4.983 7.145 ( 1.452 5.743 0.000) 5.924 7.180 ( -2.544 5.747 0.000) 6.285 7.222 ( -6.938 7.474 0.000) 10.198 7.320 ( -1.333 3.628 0.000) 3.865 7.326 ( -2.662 4.022 0.000) 4.823 7.570 ( 4.173 1.529 0.000) 4.444 7.670 ( -5.720 -0.046 0.000) 5.720 7.880 ( 3.446 -3.483 0.000) 4.899 7.944 ( -3.113 -3.890 0.000) 4.982 8.144 ( 1.602 -2.572 0.000) 3.030 8.164 ( -0.326 -2.276 0.000) 2.299 8.308 ( 7.264 -3.709 0.000) 8.156 8.379 ( 5.407 -4.192 0.000) 6.841 8.443 ( -5.972 -4.295 0.000) 7.356 8.509 ( -7.077 -6.321 0.000) 9.489 8.684 ( 7.777 -4.716 0.000) 9.095 8.805 ( -3.630 -3.868 0.000) 5.305 8.838 ( 5.360 -9.504 0.000) 10.911 8.883 ( 0.419 -6.352 0.000) 6.366 ======================= Grid point 15 (10/63) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 0.000 4.595 0.000) 4.595 1.068 ( 0.000 -2.792 0.000) 2.792 1.110 ( 0.000 2.430 0.000) 2.430 1.274 ( 0.000 11.921 0.000) 11.921 1.293 ( 0.000 -0.598 0.000) 0.598 1.440 ( 0.000 0.421 0.000) 0.421 1.515 ( 0.000 0.784 0.000) 0.784 1.518 ( 0.000 -1.479 0.000) 1.479 1.625 ( 0.000 -2.664 0.000) 2.664 1.684 ( 0.000 13.629 0.000) 13.629 1.687 ( 0.000 15.022 0.000) 15.022 1.819 ( 0.000 13.000 0.000) 13.000 1.859 ( 0.000 12.400 0.000) 12.400 2.007 ( 0.000 12.184 0.000) 12.184 2.188 ( 0.000 0.019 0.000) 0.019 2.304 ( 0.000 3.913 0.000) 3.913 2.350 ( 0.000 5.005 0.000) 5.005 2.424 ( 0.000 6.015 0.000) 6.015 2.856 ( 0.000 5.790 0.000) 5.790 2.919 ( 0.000 3.965 0.000) 3.965 2.927 ( 0.000 7.561 0.000) 7.561 3.016 ( 0.000 6.676 0.000) 6.676 3.142 ( 0.000 1.272 0.000) 1.272 3.148 ( 0.000 0.843 0.000) 0.843 3.196 ( 0.000 -2.551 0.000) 2.551 3.251 ( 0.000 -0.772 0.000) 0.772 3.252 ( 0.000 -3.853 0.000) 3.853 3.326 ( 0.000 -1.794 0.000) 1.794 3.673 ( 0.000 21.834 0.000) 21.834 3.687 ( 0.000 5.946 0.000) 5.946 3.722 ( 0.000 23.934 0.000) 23.934 3.750 ( 0.000 22.787 0.000) 22.787 3.794 ( 0.000 14.341 0.000) 14.341 3.818 ( 0.000 -1.673 0.000) 1.673 5.019 ( 0.000 -1.019 0.000) 1.019 5.035 ( 0.000 -4.562 0.000) 4.562 5.954 ( 0.000 4.480 0.000) 4.480 6.055 ( 0.000 0.791 0.000) 0.791 6.149 ( 0.000 4.847 0.000) 4.847 6.237 ( 0.000 0.516 0.000) 0.516 6.401 ( 0.000 5.158 0.000) 5.158 6.404 ( 0.000 -0.413 0.000) 0.413 6.489 ( 0.000 4.493 0.000) 4.493 6.532 ( 0.000 3.322 0.000) 3.322 6.662 ( 0.000 -2.383 0.000) 2.383 6.688 ( 0.000 1.571 0.000) 1.571 6.737 ( 0.000 2.080 0.000) 2.080 6.751 ( 0.000 4.383 0.000) 4.383 6.805 ( 0.000 1.531 0.000) 1.531 6.990 ( 0.000 7.842 0.000) 7.842 7.029 ( 0.000 6.174 0.000) 6.174 7.102 ( 0.000 -4.372 0.000) 4.372 7.123 ( 0.000 4.172 0.000) 4.172 7.168 ( 0.000 -3.495 0.000) 3.495 7.370 ( 0.000 1.657 0.000) 1.657 7.438 ( 0.000 0.133 0.000) 0.133 7.477 ( 0.000 6.736 0.000) 6.736 7.550 ( 0.000 1.345 0.000) 1.345 7.575 ( 0.000 4.174 0.000) 4.174 7.728 ( 0.000 6.574 0.000) 6.574 7.873 ( 0.000 -5.874 0.000) 5.874 7.909 ( 0.000 -1.021 0.000) 1.021 7.946 ( 0.000 2.335 0.000) 2.335 8.113 ( 0.000 -4.161 0.000) 4.161 8.177 ( 0.000 -5.281 0.000) 5.281 8.178 ( 0.000 1.805 0.000) 1.805 8.413 ( 0.000 -2.946 0.000) 2.946 8.424 ( 0.000 -4.962 0.000) 4.962 8.524 ( 0.000 -6.207 0.000) 6.207 8.530 ( 0.000 -2.603 0.000) 2.603 8.754 ( 0.000 -2.950 0.000) 2.950 8.779 ( 0.000 -1.483 0.000) 1.483 ======================= Grid point 16 (11/63) ======================= q-point: ( 0.20 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 0.650 4.125 0.000) 4.176 1.057 ( -1.273 -3.070 0.000) 3.324 1.120 ( 1.014 2.085 0.000) 2.318 1.219 ( -3.072 7.901 0.000) 8.477 1.350 ( 3.344 2.310 0.000) 4.065 1.445 ( 0.826 2.025 0.000) 2.187 1.490 ( -2.096 0.880 0.000) 2.273 1.511 ( -0.063 3.367 0.000) 3.367 1.599 ( -3.092 -0.198 0.000) 3.098 1.629 ( -2.011 9.028 0.000) 9.249 1.723 ( 3.162 13.083 0.000) 13.459 1.879 ( 1.741 11.802 0.000) 11.929 2.053 ( 8.858 9.314 0.000) 12.853 2.111 ( 11.497 9.059 0.000) 14.637 2.181 ( -0.672 0.639 0.000) 0.927 2.315 ( 0.907 3.636 0.000) 3.747 2.423 ( 9.119 6.630 0.000) 11.274 2.512 ( 11.465 7.065 0.000) 13.467 2.849 ( -0.645 6.178 0.000) 6.212 2.888 ( -2.823 4.800 0.000) 5.568 2.919 ( -0.218 8.336 0.000) 8.339 3.003 ( -0.857 6.011 0.000) 6.072 3.144 ( -0.651 0.895 0.000) 1.107 3.160 ( 1.488 1.192 0.000) 1.907 3.194 ( -0.429 -1.364 0.000) 1.430 3.246 ( -0.549 -1.510 0.000) 1.607 3.253 ( 0.188 -3.676 0.000) 3.681 3.319 ( -0.935 -1.935 0.000) 2.149 3.678 ( 0.471 21.968 0.000) 21.973 3.709 ( 1.992 16.393 0.000) 16.514 3.730 ( -0.032 25.489 0.000) 25.489 3.755 ( 0.423 23.793 0.000) 23.797 3.831 ( 5.361 2.541 0.000) 5.933 3.872 ( 5.309 -2.911 0.000) 6.054 4.840 ( -16.726 -1.531 0.000) 16.796 4.880 ( -15.388 -3.913 0.000) 15.878 5.996 ( 3.925 3.310 0.000) 5.134 6.063 ( 0.998 1.136 0.000) 1.512 6.167 ( 1.631 4.640 0.000) 4.918 6.216 ( -1.879 0.158 0.000) 1.885 6.333 ( -5.246 2.138 0.000) 5.665 6.375 ( -2.599 -0.098 0.000) 2.601 6.498 ( 0.374 5.493 0.000) 5.506 6.514 ( -1.706 4.584 0.000) 4.891 6.680 ( -0.182 0.370 0.000) 0.412 6.708 ( 1.658 -1.362 0.000) 2.146 6.743 ( 2.029 4.204 0.000) 4.668 6.778 ( 3.305 2.559 0.000) 4.180 6.855 ( 3.336 2.262 0.000) 4.031 6.982 ( -1.099 6.571 0.000) 6.662 7.047 ( 0.384 5.343 0.000) 5.356 7.076 ( -2.495 -4.238 0.000) 4.918 7.088 ( -0.930 -0.961 0.000) 1.338 7.206 ( 2.971 3.232 0.000) 4.390 7.364 ( -5.280 1.577 0.000) 5.510 7.377 ( 0.707 2.320 0.000) 2.425 7.465 ( -3.507 5.173 0.000) 6.250 7.499 ( -3.554 6.011 0.000) 6.983 7.605 ( 3.334 3.496 0.000) 4.831 7.763 ( 2.448 4.092 0.000) 4.769 7.785 ( -5.127 0.268 0.000) 5.134 7.901 ( -0.815 -4.165 0.000) 4.244 8.045 ( 5.622 0.458 0.000) 5.641 8.115 ( 0.748 -3.419 0.000) 3.499 8.186 ( 1.316 1.037 0.000) 1.676 8.231 ( 3.843 -3.306 0.000) 5.069 8.423 ( 0.548 -4.381 0.000) 4.415 8.481 ( 2.946 -5.150 0.000) 5.933 8.490 ( -3.313 -5.443 0.000) 6.372 8.541 ( 4.320 -3.941 0.000) 5.847 8.768 ( 0.554 -3.345 0.000) 3.390 8.783 ( 0.047 -2.349 0.000) 2.350 ======================= Grid point 17 (12/63) ======================= q-point: ( 0.40 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 1.523 3.302 0.000) 3.636 1.013 ( -2.882 -0.044 0.000) 2.882 1.146 ( 1.394 2.124 0.000) 2.541 1.173 ( -1.573 4.691 0.000) 4.948 1.404 ( 2.178 2.771 0.000) 3.524 1.446 ( -2.207 2.816 0.000) 3.578 1.481 ( 2.453 -1.490 0.000) 2.870 1.529 ( 2.192 10.019 0.000) 10.256 1.534 ( -3.078 -0.901 0.000) 3.207 1.584 ( -2.771 9.313 0.000) 9.717 1.795 ( 3.797 10.987 0.000) 11.625 1.862 ( -2.698 10.393 0.000) 10.737 2.134 ( 1.773 5.306 0.000) 5.595 2.162 ( -1.203 2.481 0.000) 2.758 2.272 ( 4.463 5.024 0.000) 6.720 2.321 ( -0.787 3.630 0.000) 3.714 2.680 ( 11.392 7.489 0.000) 13.633 2.795 ( 8.668 5.445 0.000) 10.236 2.815 ( -4.072 5.727 0.000) 7.027 2.842 ( -0.512 7.539 0.000) 7.556 2.972 ( 8.748 8.078 0.000) 11.907 3.023 ( 4.023 3.660 0.000) 5.439 3.108 ( -3.448 1.778 0.000) 3.879 3.157 ( -4.828 0.561 0.000) 4.861 3.191 ( 1.510 1.017 0.000) 1.820 3.223 ( -1.772 -0.456 0.000) 1.830 3.262 ( 0.738 -3.280 0.000) 3.361 3.287 ( -1.852 -2.436 0.000) 3.060 3.692 ( 0.995 22.319 0.000) 22.341 3.713 ( -0.989 22.913 0.000) 22.934 3.753 ( 1.336 27.379 0.000) 27.412 3.763 ( 0.172 26.078 0.000) 26.079 4.025 ( 15.282 -3.059 0.000) 15.585 4.074 ( 16.068 -5.997 0.000) 17.151 4.425 ( -23.145 -1.962 0.000) 23.228 4.481 ( -22.948 -4.356 0.000) 23.358 6.085 ( 4.362 1.671 0.000) 4.671 6.102 ( 2.753 2.566 0.000) 3.764 6.170 ( -2.651 -0.495 0.000) 2.697 6.180 ( -2.195 4.208 0.000) 4.746 6.260 ( 0.227 -0.874 0.000) 0.903 6.312 ( -3.497 0.180 0.000) 3.502 6.491 ( -0.306 5.948 0.000) 5.956 6.496 ( -0.459 6.592 0.000) 6.608 6.686 ( 0.670 -0.679 0.000) 0.954 6.702 ( -0.827 0.000 0.000) 0.827 6.828 ( 4.755 2.313 0.000) 5.287 6.850 ( 3.584 3.004 0.000) 4.677 6.900 ( 0.337 3.793 0.000) 3.808 6.926 ( -4.264 3.083 0.000) 5.262 7.022 ( -1.016 -0.558 0.000) 1.160 7.023 ( -1.836 -3.533 0.000) 3.981 7.145 ( 4.783 3.802 0.000) 6.110 7.252 ( -5.783 2.578 0.000) 6.331 7.277 ( 4.198 6.194 0.000) 7.483 7.369 ( -5.006 6.724 0.000) 8.383 7.400 ( 1.709 3.557 0.000) 3.946 7.444 ( -2.597 5.173 0.000) 5.788 7.655 ( 1.826 6.072 0.000) 6.340 7.701 ( -3.209 3.491 0.000) 4.741 7.820 ( 3.131 -0.902 0.000) 3.259 7.873 ( -2.073 -2.882 0.000) 3.550 8.116 ( 1.694 0.108 0.000) 1.698 8.130 ( 0.213 -1.188 0.000) 1.207 8.254 ( 5.276 -1.616 0.000) 5.518 8.304 ( 3.700 -2.647 0.000) 4.549 8.369 ( -4.539 -3.478 0.000) 5.719 8.405 ( -4.903 -3.872 0.000) 6.248 8.594 ( 7.852 -4.115 0.000) 8.865 8.676 ( 6.812 -6.752 0.000) 9.591 8.729 ( -4.795 -3.562 0.000) 5.973 8.769 ( -2.322 -5.045 0.000) 5.554 ======================= Grid point 20 (13/63) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 0.000 0.253 0.000) 0.253 0.990 ( 0.000 -4.189 0.000) 4.189 1.141 ( 0.000 0.390 0.000) 0.390 1.227 ( 0.000 -5.192 0.000) 5.192 1.417 ( 0.000 -1.754 0.000) 1.754 1.453 ( 0.000 5.412 0.000) 5.412 1.489 ( 0.000 -1.612 0.000) 1.612 1.538 ( 0.000 -5.041 0.000) 5.041 1.642 ( 0.000 10.544 0.000) 10.544 1.902 ( 0.000 8.408 0.000) 8.408 1.957 ( 0.000 12.008 0.000) 12.008 2.046 ( 0.000 9.153 0.000) 9.153 2.137 ( 0.000 13.787 0.000) 13.787 2.172 ( 0.000 5.793 0.000) 5.793 2.223 ( 0.000 3.286 0.000) 3.286 2.410 ( 0.000 5.721 0.000) 5.721 2.458 ( 0.000 5.400 0.000) 5.400 2.505 ( 0.000 2.815 0.000) 2.815 2.908 ( 0.000 -1.199 0.000) 1.199 2.950 ( 0.000 -1.146 0.000) 1.146 3.050 ( 0.000 0.709 0.000) 0.709 3.082 ( 0.000 -1.630 0.000) 1.630 3.150 ( 0.000 -0.303 0.000) 0.303 3.168 ( 0.000 0.709 0.000) 0.709 3.197 ( 0.000 5.824 0.000) 5.824 3.198 ( 0.000 2.238 0.000) 2.238 3.257 ( 0.000 1.385 0.000) 1.385 3.282 ( 0.000 -2.212 0.000) 2.212 3.596 ( 0.000 -7.060 0.000) 7.060 3.653 ( 0.000 -8.120 0.000) 8.120 4.126 ( 0.000 22.584 0.000) 22.584 4.223 ( 0.000 23.216 0.000) 23.216 4.245 ( 0.000 22.351 0.000) 22.351 4.320 ( 0.000 27.540 0.000) 27.540 4.959 ( 0.000 -2.954 0.000) 2.954 4.997 ( 0.000 -1.175 0.000) 1.175 6.055 ( 0.000 -0.906 0.000) 0.906 6.074 ( 0.000 7.030 0.000) 7.030 6.231 ( 0.000 -1.591 0.000) 1.591 6.257 ( 0.000 5.359 0.000) 5.359 6.399 ( 0.000 0.028 0.000) 0.028 6.454 ( 0.000 -4.463 0.000) 4.463 6.462 ( 0.000 1.231 0.000) 1.231 6.582 ( 0.000 1.969 0.000) 1.969 6.662 ( 0.000 2.803 0.000) 2.803 6.665 ( 0.000 -3.572 0.000) 3.572 6.818 ( 0.000 2.868 0.000) 2.868 6.826 ( 0.000 0.311 0.000) 0.311 6.832 ( 0.000 3.674 0.000) 3.674 7.006 ( 0.000 -4.161 0.000) 4.161 7.071 ( 0.000 -3.615 0.000) 3.615 7.071 ( 0.000 0.123 0.000) 0.123 7.135 ( 0.000 5.969 0.000) 5.969 7.248 ( 0.000 6.693 0.000) 6.693 7.430 ( 0.000 3.325 0.000) 3.325 7.445 ( 0.000 0.922 0.000) 0.922 7.474 ( 0.000 -2.533 0.000) 2.533 7.603 ( 0.000 3.663 0.000) 3.663 7.661 ( 0.000 2.970 0.000) 2.970 7.756 ( 0.000 -5.288 0.000) 5.288 7.874 ( 0.000 1.975 0.000) 1.975 7.934 ( 0.000 2.654 0.000) 2.654 8.007 ( 0.000 2.812 0.000) 2.812 8.074 ( 0.000 -4.771 0.000) 4.771 8.120 ( 0.000 6.339 0.000) 6.339 8.237 ( 0.000 4.042 0.000) 4.042 8.337 ( 0.000 -3.240 0.000) 3.240 8.351 ( 0.000 -3.210 0.000) 3.210 8.445 ( 0.000 -1.873 0.000) 1.873 8.470 ( 0.000 -3.589 0.000) 3.589 8.701 ( 0.000 -2.272 0.000) 2.272 8.749 ( 0.000 -1.572 0.000) 1.572 ======================= Grid point 21 (14/63) ======================= q-point: ( 0.20 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 0.507 0.222 0.000) 0.553 0.991 ( 0.107 -3.390 0.000) 3.392 1.143 ( 0.385 0.008 0.000) 0.385 1.218 ( -1.005 -4.347 0.000) 4.462 1.420 ( 0.454 -1.336 0.000) 1.411 1.455 ( 0.209 3.933 0.000) 3.938 1.484 ( -0.420 -1.114 0.000) 1.190 1.519 ( -1.747 -4.494 0.000) 4.822 1.669 ( 2.517 10.564 0.000) 10.859 1.834 ( -3.298 8.824 0.000) 9.420 1.967 ( 1.006 10.971 0.000) 11.017 2.068 ( -0.694 6.615 0.000) 6.651 2.224 ( 2.931 7.168 0.000) 7.744 2.224 ( 0.151 3.518 0.000) 3.521 2.286 ( 8.604 8.661 0.000) 12.209 2.415 ( 0.332 5.343 0.000) 5.354 2.552 ( 11.508 6.205 0.000) 13.075 2.627 ( 13.111 4.916 0.000) 14.003 2.912 ( 0.487 -0.210 0.000) 0.531 2.937 ( -1.135 -0.679 0.000) 1.323 3.020 ( -1.582 -0.418 0.000) 1.637 3.076 ( -1.493 -0.875 0.000) 1.730 3.142 ( -0.803 -0.433 0.000) 0.912 3.166 ( -0.628 0.125 0.000) 0.640 3.198 ( 1.186 4.050 0.000) 4.220 3.222 ( 1.297 3.698 0.000) 3.919 3.250 ( -0.594 1.102 0.000) 1.252 3.281 ( -0.154 -1.353 0.000) 1.361 3.670 ( 7.714 -6.559 0.000) 10.125 3.709 ( 6.542 -7.945 0.000) 10.292 4.132 ( 0.660 22.666 0.000) 22.675 4.222 ( -1.892 22.817 0.000) 22.895 4.241 ( 1.628 23.538 0.000) 23.595 4.328 ( 0.292 26.748 0.000) 26.749 4.792 ( -16.188 -2.576 0.000) 16.392 4.834 ( -15.783 -1.321 0.000) 15.838 6.065 ( 1.267 -0.960 0.000) 1.590 6.090 ( 1.581 5.728 0.000) 5.943 6.210 ( -1.838 -1.151 0.000) 2.169 6.258 ( -0.177 3.162 0.000) 3.167 6.365 ( -6.213 2.800 0.000) 6.815 6.373 ( -1.902 0.332 0.000) 1.931 6.493 ( 3.108 -3.549 0.000) 4.718 6.604 ( -0.603 4.044 0.000) 4.089 6.672 ( 0.124 -1.915 0.000) 1.919 6.676 ( 0.926 -1.117 0.000) 1.451 6.822 ( 1.337 3.493 0.000) 3.740 6.826 ( 1.012 0.699 0.000) 1.230 6.884 ( 3.609 0.177 0.000) 3.613 6.995 ( -1.211 -2.704 0.000) 2.963 7.024 ( -3.314 -1.158 0.000) 3.511 7.054 ( -1.564 0.535 0.000) 1.653 7.171 ( 2.867 5.674 0.000) 6.357 7.292 ( 3.725 4.922 0.000) 6.173 7.379 ( -3.898 0.701 0.000) 3.961 7.438 ( 0.789 3.230 0.000) 3.325 7.531 ( 1.231 0.076 0.000) 1.233 7.561 ( -3.277 2.647 0.000) 4.213 7.659 ( 1.759 3.764 0.000) 4.155 7.761 ( 0.586 -3.318 0.000) 3.369 7.881 ( -3.142 2.349 0.000) 3.923 7.919 ( -0.222 6.013 0.000) 6.018 8.031 ( 2.113 -5.120 0.000) 5.539 8.075 ( 4.378 1.540 0.000) 4.641 8.211 ( 4.644 2.032 0.000) 5.069 8.232 ( -0.293 3.527 0.000) 3.539 8.340 ( -0.248 -3.364 0.000) 3.373 8.393 ( 4.669 -3.368 0.000) 5.757 8.423 ( -2.242 -1.408 0.000) 2.647 8.477 ( 1.746 -3.102 0.000) 3.560 8.708 ( 0.069 -2.502 0.000) 2.503 8.742 ( -1.191 -1.908 0.000) 2.250 ======================= Grid point 22 (15/63) ======================= q-point: ( 0.40 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 0.129 -1.574 0.000) 1.579 0.994 ( 0.102 -0.086 0.000) 0.134 1.160 ( 1.279 -1.006 0.000) 1.627 1.190 ( -1.650 -2.428 0.000) 2.936 1.439 ( 1.463 -1.716 0.000) 2.255 1.461 ( 0.487 1.663 0.000) 1.733 1.473 ( -0.655 0.081 0.000) 0.660 1.477 ( -2.256 -3.127 0.000) 3.856 1.728 ( 3.092 10.066 0.000) 10.530 1.783 ( -2.419 9.201 0.000) 9.514 1.996 ( 1.811 8.708 0.000) 8.895 2.036 ( -2.098 6.738 0.000) 7.057 2.230 ( 0.483 4.220 0.000) 4.248 2.241 ( -0.382 5.264 0.000) 5.278 2.382 ( 2.560 5.415 0.000) 5.989 2.413 ( -0.727 4.808 0.000) 4.862 2.814 ( 9.600 5.331 0.000) 10.981 2.904 ( -1.891 2.134 0.000) 2.851 2.905 ( 9.419 5.108 0.000) 10.715 2.936 ( 1.414 1.172 0.000) 1.836 3.026 ( 2.953 -1.899 0.000) 3.510 3.047 ( 0.669 -2.417 0.000) 2.508 3.109 ( -3.002 -1.174 0.000) 3.223 3.124 ( -4.003 -1.635 0.000) 4.324 3.226 ( 1.134 2.884 0.000) 3.099 3.240 ( -0.447 1.553 0.000) 1.616 3.248 ( 1.432 3.432 0.000) 3.719 3.272 ( -0.820 1.146 0.000) 1.409 3.923 ( 18.650 -4.899 0.000) 19.282 3.961 ( 19.169 -4.938 0.000) 19.795 4.151 ( 1.216 22.733 0.000) 22.765 4.184 ( -1.738 22.811 0.000) 22.877 4.276 ( 1.067 22.534 0.000) 22.559 4.320 ( -1.064 25.946 0.000) 25.968 4.373 ( -24.319 -2.483 0.000) 24.446 4.426 ( -23.158 -0.189 0.000) 23.159 6.113 ( 3.699 -1.253 0.000) 3.906 6.129 ( 2.100 2.748 0.000) 3.459 6.170 ( -2.015 0.317 0.000) 2.040 6.207 ( -5.118 -1.877 0.000) 5.451 6.304 ( 0.506 5.873 0.000) 5.895 6.334 ( -1.968 2.527 0.000) 3.203 6.560 ( 3.241 -1.279 0.000) 3.484 6.595 ( -0.206 3.908 0.000) 3.913 6.654 ( -1.484 -0.503 0.000) 1.567 6.656 ( -1.949 -3.186 0.000) 3.735 6.864 ( 2.464 -2.419 0.000) 3.453 6.869 ( 2.387 1.373 0.000) 2.753 6.948 ( 0.311 -3.059 0.000) 3.075 6.961 ( -2.703 1.732 0.000) 3.210 6.969 ( 1.175 2.676 0.000) 2.922 7.018 ( -2.170 0.645 0.000) 2.264 7.233 ( 3.308 4.667 0.000) 5.720 7.303 ( -3.741 2.604 0.000) 4.558 7.380 ( 5.005 4.145 0.000) 6.498 7.462 ( 1.711 2.773 0.000) 3.259 7.478 ( -4.477 4.260 0.000) 6.180 7.507 ( -2.785 1.657 0.000) 3.241 7.737 ( 4.296 2.950 0.000) 5.212 7.780 ( 0.691 2.909 0.000) 2.990 7.831 ( -1.419 -0.975 0.000) 1.722 7.862 ( -3.392 2.217 0.000) 4.053 8.112 ( 3.310 -0.782 0.000) 3.401 8.136 ( 1.052 0.925 0.000) 1.401 8.245 ( 2.164 0.769 0.000) 2.297 8.286 ( 3.559 0.329 0.000) 3.574 8.305 ( -3.031 -2.193 0.000) 3.741 8.362 ( -3.746 -0.400 0.000) 3.768 8.528 ( 8.091 -2.424 0.000) 8.446 8.570 ( 6.692 -3.989 0.000) 7.791 8.668 ( -5.004 -2.470 0.000) 5.580 8.685 ( -4.369 -3.262 0.000) 5.453 ======================= Grid point 25 (16/63) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 0.000 -2.168 0.000) 2.168 0.971 ( 0.000 -0.585 0.000) 0.585 1.108 ( 0.000 -6.422 0.000) 6.422 1.119 ( 0.000 -2.580 0.000) 2.580 1.391 ( 0.000 -0.625 0.000) 0.625 1.447 ( 0.000 -3.717 0.000) 3.717 1.450 ( 0.000 -2.263 0.000) 2.263 1.496 ( 0.000 -0.615 0.000) 0.615 1.887 ( 0.000 12.970 0.000) 12.970 2.030 ( 0.000 4.881 0.000) 4.881 2.154 ( 0.000 1.857 0.000) 1.857 2.158 ( 0.000 7.699 0.000) 7.699 2.287 ( 0.000 6.152 0.000) 6.152 2.308 ( 0.000 5.002 0.000) 5.002 2.366 ( 0.000 8.496 0.000) 8.496 2.499 ( 0.000 2.732 0.000) 2.732 2.537 ( 0.000 1.718 0.000) 1.718 2.539 ( 0.000 0.137 0.000) 0.137 2.834 ( 0.000 -4.956 0.000) 4.956 2.875 ( 0.000 -5.740 0.000) 5.740 3.014 ( 0.000 -0.137 0.000) 0.137 3.043 ( 0.000 -0.240 0.000) 0.240 3.149 ( 0.000 0.371 0.000) 0.371 3.197 ( 0.000 0.570 0.000) 0.570 3.259 ( 0.000 0.693 0.000) 0.693 3.292 ( 0.000 1.686 0.000) 1.686 3.306 ( 0.000 5.471 0.000) 5.471 3.307 ( 0.000 3.963 0.000) 3.963 3.449 ( 0.000 -7.052 0.000) 7.052 3.486 ( 0.000 -8.480 0.000) 8.480 4.538 ( 0.000 18.014 0.000) 18.014 4.628 ( 0.000 15.686 0.000) 15.686 4.629 ( 0.000 16.547 0.000) 16.547 4.765 ( 0.000 15.916 0.000) 15.916 4.921 ( 0.000 -0.871 0.000) 0.871 4.972 ( 0.000 -1.368 0.000) 1.368 6.028 ( 0.000 -1.248 0.000) 1.248 6.161 ( 0.000 -4.754 0.000) 4.754 6.210 ( 0.000 6.228 0.000) 6.228 6.339 ( 0.000 2.593 0.000) 2.593 6.404 ( 0.000 -0.378 0.000) 0.378 6.409 ( 0.000 0.941 0.000) 0.941 6.504 ( 0.000 3.771 0.000) 3.771 6.589 ( 0.000 -3.054 0.000) 3.054 6.625 ( 0.000 2.364 0.000) 2.364 6.736 ( 0.000 3.535 0.000) 3.535 6.786 ( 0.000 -5.412 0.000) 5.412 6.816 ( 0.000 -1.044 0.000) 1.044 6.897 ( 0.000 2.863 0.000) 2.863 6.957 ( 0.000 -0.870 0.000) 0.870 7.038 ( 0.000 -0.038 0.000) 0.038 7.067 ( 0.000 -0.548 0.000) 0.548 7.250 ( 0.000 5.372 0.000) 5.372 7.355 ( 0.000 3.804 0.000) 3.804 7.448 ( 0.000 0.063 0.000) 0.063 7.473 ( 0.000 1.771 0.000) 1.771 7.490 ( 0.000 2.628 0.000) 2.628 7.657 ( 0.000 1.158 0.000) 1.158 7.659 ( 0.000 -4.551 0.000) 4.551 7.671 ( 0.000 -1.627 0.000) 1.627 7.865 ( 0.000 -0.309 0.000) 0.309 7.989 ( 0.000 2.452 0.000) 2.452 7.995 ( 0.000 -3.193 0.000) 3.193 8.044 ( 0.000 0.867 0.000) 0.867 8.248 ( 0.000 2.519 0.000) 2.519 8.300 ( 0.000 -0.971 0.000) 0.971 8.305 ( 0.000 0.502 0.000) 0.502 8.327 ( 0.000 4.554 0.000) 4.554 8.391 ( 0.000 -3.857 0.000) 3.857 8.436 ( 0.000 0.388 0.000) 0.388 8.668 ( 0.000 -0.972 0.000) 0.972 8.716 ( 0.000 -1.695 0.000) 1.695 ======================= Grid point 26 (17/63) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 1.296 -1.712 0.000) 2.147 0.978 ( 0.501 -0.631 0.000) 0.805 1.110 ( 0.215 -5.893 0.000) 5.897 1.116 ( -0.286 -2.714 0.000) 2.729 1.392 ( 0.169 -0.922 0.000) 0.937 1.437 ( -0.878 -3.429 0.000) 3.540 1.450 ( 0.071 -2.247 0.000) 2.248 1.487 ( -0.829 -0.783 0.000) 1.140 1.901 ( 1.296 11.989 0.000) 12.059 1.983 ( -2.415 6.303 0.000) 6.750 2.145 ( -0.921 1.578 0.000) 1.827 2.150 ( -0.737 6.965 0.000) 7.004 2.311 ( 0.340 4.954 0.000) 4.965 2.340 ( 1.450 4.924 0.000) 5.133 2.432 ( 3.221 5.259 0.000) 6.166 2.498 ( -0.254 2.457 0.000) 2.470 2.634 ( 11.114 0.611 0.000) 11.131 2.686 ( 12.689 0.026 0.000) 12.689 2.839 ( 0.301 -5.564 0.000) 5.573 2.876 ( 0.416 -4.984 0.000) 5.001 2.995 ( -0.187 1.509 0.000) 1.520 3.062 ( 0.845 2.232 0.000) 2.386 3.147 ( -0.399 0.924 0.000) 1.006 3.190 ( -0.997 1.072 0.000) 1.463 3.263 ( 0.373 0.810 0.000) 0.892 3.286 ( -0.587 2.953 0.000) 3.011 3.287 ( -0.208 1.275 0.000) 1.292 3.327 ( 0.368 4.746 0.000) 4.760 3.534 ( 9.163 -6.446 0.000) 11.203 3.550 ( 7.967 -7.890 0.000) 11.213 4.545 ( 0.620 17.924 0.000) 17.934 4.616 ( -1.089 16.277 0.000) 16.313 4.641 ( 0.052 15.120 0.000) 15.120 4.759 ( -15.557 -0.474 0.000) 15.564 4.763 ( -0.347 15.691 0.000) 15.695 4.814 ( -14.480 -0.376 0.000) 14.484 6.039 ( 1.358 -0.932 0.000) 1.648 6.161 ( 0.092 -3.411 0.000) 3.412 6.202 ( -0.815 5.075 0.000) 5.140 6.294 ( -4.298 1.537 0.000) 4.564 6.392 ( -0.218 1.546 0.000) 1.561 6.448 ( 3.023 -0.503 0.000) 3.064 6.460 ( -2.555 5.728 0.000) 6.272 6.616 ( 2.253 -2.775 0.000) 3.575 6.655 ( 0.576 1.531 0.000) 1.636 6.688 ( -3.182 1.694 0.000) 3.604 6.774 ( -0.807 -5.212 0.000) 5.274 6.847 ( 1.326 -1.866 0.000) 2.289 6.898 ( 1.212 2.853 0.000) 3.100 6.974 ( 1.095 -0.175 0.000) 1.109 7.025 ( -1.086 0.737 0.000) 1.313 7.060 ( -0.920 -0.107 0.000) 0.926 7.278 ( 2.443 4.989 0.000) 5.555 7.375 ( 2.013 3.051 0.000) 3.655 7.401 ( -2.422 1.665 0.000) 2.939 7.496 ( 0.608 2.582 0.000) 2.653 7.526 ( 1.552 -0.343 0.000) 1.590 7.606 ( -1.639 1.834 0.000) 2.460 7.680 ( 2.191 -4.429 0.000) 4.941 7.725 ( 2.333 2.423 0.000) 3.363 7.927 ( 2.895 -4.544 0.000) 5.388 7.945 ( -2.932 3.408 0.000) 4.496 7.960 ( 0.215 -0.695 0.000) 0.728 8.084 ( 2.529 -0.607 0.000) 2.600 8.261 ( 1.236 0.895 0.000) 1.526 8.295 ( -0.250 -1.570 0.000) 1.590 8.314 ( -1.170 4.266 0.000) 4.423 8.365 ( 5.460 1.038 0.000) 5.558 8.416 ( 2.892 -2.640 0.000) 3.915 8.420 ( -1.631 0.533 0.000) 1.716 8.672 ( -0.287 -1.116 0.000) 1.152 8.707 ( -1.387 -1.598 0.000) 2.116 ======================= Grid point 27 (18/63) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 1.370 -0.931 0.000) 1.657 0.982 ( -0.276 -0.628 0.000) 0.686 1.112 ( -0.039 -3.413 0.000) 3.413 1.113 ( -0.024 -4.660 0.000) 4.660 1.400 ( 0.652 -1.699 0.000) 1.820 1.417 ( -1.052 -2.653 0.000) 2.854 1.454 ( 0.416 -1.915 0.000) 1.960 1.468 ( -0.929 -1.286 0.000) 1.586 1.929 ( 1.369 9.845 0.000) 9.940 1.952 ( -1.084 7.833 0.000) 7.908 2.131 ( -0.320 2.932 0.000) 2.949 2.135 ( -0.612 5.082 0.000) 5.118 2.322 ( 0.794 4.822 0.000) 4.887 2.339 ( -0.809 4.638 0.000) 4.708 2.468 ( 1.162 2.846 0.000) 3.074 2.487 ( -0.798 2.204 0.000) 2.343 2.812 ( 3.811 -5.198 0.000) 6.445 2.839 ( -0.339 -6.075 0.000) 6.085 2.880 ( 4.771 -6.452 0.000) 8.024 2.897 ( 1.272 -5.342 0.000) 5.491 3.053 ( 5.028 5.044 0.000) 7.122 3.083 ( 2.316 6.888 0.000) 7.267 3.124 ( -2.180 3.240 0.000) 3.906 3.149 ( -3.115 2.922 0.000) 4.271 3.270 ( 0.400 1.196 0.000) 1.261 3.278 ( -0.356 1.490 0.000) 1.532 3.297 ( 1.131 0.743 0.000) 1.354 3.320 ( -0.963 2.325 0.000) 2.517 3.832 ( 22.070 -3.615 0.000) 22.364 3.870 ( 23.047 -4.024 0.000) 23.396 4.328 ( -25.282 -1.182 0.000) 25.310 4.368 ( -24.817 -1.502 0.000) 24.863 4.567 ( 0.982 17.732 0.000) 17.759 4.591 ( -1.325 17.240 0.000) 17.291 4.712 ( 1.794 15.751 0.000) 15.853 4.747 ( -1.375 15.685 0.000) 15.745 6.089 ( 3.733 -0.257 0.000) 3.742 6.169 ( 0.777 -0.533 0.000) 0.942 6.173 ( -3.105 1.465 0.000) 3.434 6.200 ( -3.515 1.589 0.000) 3.857 6.398 ( 0.815 3.496 0.000) 3.589 6.421 ( -1.522 5.533 0.000) 5.739 6.524 ( 4.448 -0.697 0.000) 4.502 6.614 ( -4.402 -0.136 0.000) 4.404 6.646 ( 0.387 -0.868 0.000) 0.951 6.648 ( -0.295 1.153 0.000) 1.190 6.785 ( 2.375 -4.796 0.000) 5.352 6.840 ( -2.162 -3.591 0.000) 4.192 6.944 ( 2.847 1.800 0.000) 3.368 6.994 ( -2.070 1.406 0.000) 2.502 6.999 ( 1.535 0.411 0.000) 1.589 7.032 ( -1.710 0.300 0.000) 1.736 7.324 ( 1.958 4.402 0.000) 4.817 7.360 ( -1.821 3.127 0.000) 3.619 7.438 ( 4.117 1.496 0.000) 4.381 7.508 ( -2.454 -0.697 0.000) 2.551 7.515 ( 1.432 2.738 0.000) 3.090 7.562 ( -3.164 3.805 0.000) 4.949 7.745 ( 4.219 -4.110 0.000) 5.890 7.791 ( 2.938 1.008 0.000) 3.106 7.860 ( -3.525 -0.299 0.000) 3.538 7.886 ( -3.076 4.298 0.000) 5.285 8.078 ( 5.077 -2.982 0.000) 5.889 8.119 ( 0.504 -2.484 0.000) 2.535 8.278 ( -0.069 0.450 0.000) 0.455 8.288 ( -1.165 3.104 0.000) 3.316 8.312 ( 2.743 0.536 0.000) 2.795 8.373 ( -2.970 0.842 0.000) 3.087 8.501 ( 7.618 -0.378 0.000) 7.627 8.513 ( 6.537 -1.835 0.000) 6.789 8.629 ( -4.479 -1.453 0.000) 4.709 8.641 ( -5.452 -1.368 0.000) 5.621 ======================= Grid point 30 (19/63) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 0.000 1.768 0.000) 1.768 0.981 ( 0.000 1.966 0.000) 1.966 0.988 ( 0.000 -5.167 0.000) 5.167 1.047 ( 0.000 -4.136 0.000) 4.136 1.399 ( 0.000 -0.972 0.000) 0.972 1.401 ( 0.000 1.723 0.000) 1.723 1.407 ( 0.000 -1.612 0.000) 1.612 1.453 ( 0.000 -3.028 0.000) 3.028 2.107 ( 0.000 3.014 0.000) 3.014 2.121 ( 0.000 9.672 0.000) 9.672 2.152 ( 0.000 -1.441 0.000) 1.441 2.233 ( 0.000 -0.872 0.000) 0.872 2.407 ( 0.000 5.702 0.000) 5.702 2.417 ( 0.000 5.640 0.000) 5.640 2.473 ( 0.000 2.739 0.000) 2.739 2.504 ( 0.000 -2.382 0.000) 2.382 2.510 ( 0.000 -3.796 0.000) 3.796 2.516 ( 0.000 -1.745 0.000) 1.745 2.751 ( 0.000 -2.441 0.000) 2.441 2.765 ( 0.000 -3.931 0.000) 3.931 3.079 ( 0.000 5.415 0.000) 5.415 3.102 ( 0.000 4.750 0.000) 4.750 3.163 ( 0.000 0.942 0.000) 0.942 3.184 ( 0.000 -1.104 0.000) 1.104 3.273 ( 0.000 -5.260 0.000) 5.260 3.294 ( 0.000 1.773 0.000) 1.773 3.311 ( 0.000 -7.347 0.000) 7.347 3.312 ( 0.000 0.102 0.000) 0.102 3.391 ( 0.000 1.689 0.000) 1.689 3.398 ( 0.000 0.826 0.000) 0.826 4.809 ( 0.000 8.371 0.000) 8.371 4.847 ( 0.000 4.706 0.000) 4.706 4.865 ( 0.000 8.076 0.000) 8.076 4.922 ( 0.000 0.779 0.000) 0.779 4.936 ( 0.000 1.681 0.000) 1.681 4.943 ( 0.000 -1.386 0.000) 1.386 6.026 ( 0.000 1.232 0.000) 1.232 6.075 ( 0.000 -3.565 0.000) 3.565 6.314 ( 0.000 4.026 0.000) 4.026 6.360 ( 0.000 -0.533 0.000) 0.533 6.415 ( 0.000 0.921 0.000) 0.921 6.425 ( 0.000 0.235 0.000) 0.235 6.570 ( 0.000 1.763 0.000) 1.763 6.597 ( 0.000 4.610 0.000) 4.610 6.653 ( 0.000 -0.450 0.000) 0.450 6.658 ( 0.000 -6.345 0.000) 6.345 6.781 ( 0.000 1.055 0.000) 1.055 6.795 ( 0.000 -0.840 0.000) 0.840 6.944 ( 0.000 1.587 0.000) 1.587 6.955 ( 0.000 0.172 0.000) 0.172 7.042 ( 0.000 0.328 0.000) 0.328 7.053 ( 0.000 -0.737 0.000) 0.737 7.344 ( 0.000 3.885 0.000) 3.885 7.391 ( 0.000 -0.411 0.000) 0.411 7.472 ( 0.000 2.029 0.000) 2.029 7.499 ( 0.000 0.133 0.000) 0.133 7.535 ( 0.000 2.011 0.000) 2.011 7.581 ( 0.000 -3.024 0.000) 3.024 7.631 ( 0.000 -1.172 0.000) 1.172 7.644 ( 0.000 -1.695 0.000) 1.695 7.892 ( 0.000 2.476 0.000) 2.476 7.941 ( 0.000 -2.402 0.000) 2.402 8.027 ( 0.000 1.395 0.000) 1.395 8.046 ( 0.000 -0.519 0.000) 0.519 8.238 ( 0.000 -0.354 0.000) 0.354 8.263 ( 0.000 -2.576 0.000) 2.576 8.347 ( 0.000 1.207 0.000) 1.207 8.352 ( 0.000 -0.083 0.000) 0.083 8.404 ( 0.000 2.932 0.000) 2.932 8.438 ( 0.000 -0.584 0.000) 0.584 8.664 ( 0.000 0.480 0.000) 0.480 8.684 ( 0.000 -1.427 0.000) 1.427 ======================= Grid point 31 (20/63) ======================= q-point: ( 0.20 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 1.609 1.687 0.000) 2.331 0.985 ( 0.310 1.746 0.000) 1.773 1.001 ( 1.107 -4.748 0.000) 4.876 1.045 ( -0.174 -3.867 0.000) 3.871 1.393 ( -0.490 -0.794 0.000) 0.933 1.396 ( -0.460 1.430 0.000) 1.502 1.406 ( -0.076 -1.824 0.000) 1.825 1.443 ( -0.866 -2.922 0.000) 3.047 2.087 ( -0.855 4.116 0.000) 4.203 2.116 ( -0.485 8.845 0.000) 8.859 2.144 ( -0.310 -1.523 0.000) 1.554 2.219 ( -1.418 -0.759 0.000) 1.609 2.416 ( -0.057 5.340 0.000) 5.340 2.430 ( 0.367 4.109 0.000) 4.126 2.483 ( 0.082 -0.304 0.000) 0.315 2.499 ( -0.439 -2.369 0.000) 2.409 2.608 ( 8.741 -0.920 0.000) 8.789 2.637 ( 8.746 -3.346 0.000) 9.364 2.750 ( -0.061 -2.208 0.000) 2.209 2.773 ( 0.604 -4.156 0.000) 4.199 3.103 ( 3.277 7.730 0.000) 8.397 3.171 ( 0.789 1.282 0.000) 1.505 3.172 ( 5.176 6.854 0.000) 8.589 3.191 ( 0.638 -0.645 0.000) 0.907 3.264 ( -0.351 -4.743 0.000) 4.756 3.290 ( -0.310 1.360 0.000) 1.394 3.303 ( -0.740 0.149 0.000) 0.754 3.339 ( 0.237 -5.879 0.000) 5.883 3.443 ( 9.040 -0.436 0.000) 9.050 3.456 ( 7.816 -1.278 0.000) 7.919 4.748 ( -15.248 1.034 0.000) 15.283 4.765 ( -15.001 -0.312 0.000) 15.004 4.824 ( -0.347 8.125 0.000) 8.133 4.861 ( -0.369 8.276 0.000) 8.285 4.876 ( 0.388 3.222 0.000) 3.245 4.933 ( -0.323 1.735 0.000) 1.765 6.046 ( 2.185 1.656 0.000) 2.742 6.095 ( 2.007 -2.991 0.000) 3.602 6.287 ( -2.608 3.243 0.000) 4.162 6.318 ( -3.955 0.211 0.000) 3.961 6.430 ( 1.386 1.917 0.000) 2.366 6.451 ( 2.550 -0.042 0.000) 2.550 6.572 ( -2.112 5.165 0.000) 5.580 6.589 ( 1.937 0.768 0.000) 2.084 6.652 ( -1.366 -2.420 0.000) 2.779 6.657 ( 0.310 -5.536 0.000) 5.545 6.737 ( -2.439 3.257 0.000) 4.069 6.799 ( -0.786 -2.802 0.000) 2.910 6.950 ( 0.918 1.903 0.000) 2.113 6.971 ( 0.975 -0.374 0.000) 1.044 7.038 ( -0.554 0.556 0.000) 0.785 7.050 ( -0.498 -0.704 0.000) 0.862 7.365 ( 1.955 3.535 0.000) 4.040 7.405 ( 1.357 -0.196 0.000) 1.371 7.446 ( -1.428 2.746 0.000) 3.095 7.500 ( -0.784 -2.295 0.000) 2.425 7.542 ( 0.825 2.231 0.000) 2.379 7.597 ( 1.776 -3.544 0.000) 3.964 7.654 ( 2.482 3.243 0.000) 4.084 7.723 ( 4.137 -2.837 0.000) 5.016 7.890 ( 0.192 1.078 0.000) 1.095 7.929 ( 0.471 -2.108 0.000) 2.160 8.007 ( -1.429 2.819 0.000) 3.161 8.056 ( 0.483 -2.044 0.000) 2.100 8.253 ( 1.773 -0.378 0.000) 1.813 8.266 ( 0.610 -1.442 0.000) 1.565 8.387 ( -1.588 2.848 0.000) 3.261 8.390 ( 3.961 0.292 0.000) 3.972 8.391 ( 3.850 0.231 0.000) 3.857 8.422 ( -1.618 -0.673 0.000) 1.753 8.664 ( -0.600 0.275 0.000) 0.660 8.679 ( -1.017 -1.152 0.000) 1.537 ======================= Grid point 32 (21/63) ======================= q-point: ( 0.40 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 1.526 1.481 0.000) 2.127 0.987 ( -0.314 1.421 0.000) 1.455 1.024 ( 1.045 -3.918 0.000) 4.055 1.039 ( -0.518 -3.526 0.000) 3.564 1.385 ( -0.214 -0.232 0.000) 0.315 1.386 ( -0.342 0.650 0.000) 0.734 1.408 ( 0.423 -2.235 0.000) 2.274 1.423 ( -1.012 -2.632 0.000) 2.820 2.087 ( 0.597 5.336 0.000) 5.369 2.102 ( -0.849 7.009 0.000) 7.060 2.152 ( 1.099 -1.028 0.000) 1.504 2.183 ( -1.923 -0.682 0.000) 2.041 2.418 ( 0.290 4.637 0.000) 4.646 2.426 ( -0.480 3.997 0.000) 4.026 2.484 ( 0.124 -1.287 0.000) 1.293 2.490 ( -0.448 -2.023 0.000) 2.072 2.725 ( 2.702 -1.990 0.000) 3.356 2.748 ( -0.317 -1.889 0.000) 1.915 2.755 ( 3.045 -4.753 0.000) 5.645 2.781 ( -0.094 -4.814 0.000) 4.815 3.172 ( 2.598 5.701 0.000) 6.265 3.193 ( 1.166 2.554 0.000) 2.808 3.200 ( -0.036 1.675 0.000) 1.675 3.217 ( -0.508 5.173 0.000) 5.198 3.270 ( 0.734 -1.647 0.000) 1.803 3.283 ( -0.571 0.310 0.000) 0.650 3.295 ( 0.477 -0.755 0.000) 0.893 3.319 ( -1.521 -2.501 0.000) 2.927 3.790 ( 25.112 -0.527 0.000) 25.117 3.807 ( 25.399 -2.116 0.000) 25.487 4.321 ( -26.122 0.394 0.000) 26.125 4.339 ( -26.079 -1.300 0.000) 26.111 4.837 ( 0.819 8.819 0.000) 8.857 4.851 ( -0.635 8.650 0.000) 8.674 4.900 ( 1.361 2.888 0.000) 3.193 4.922 ( -0.813 2.086 0.000) 2.239 6.113 ( 4.461 2.182 0.000) 4.966 6.151 ( 3.549 -1.348 0.000) 3.796 6.212 ( -5.055 2.090 0.000) 5.470 6.229 ( -4.252 0.644 0.000) 4.301 6.467 ( 2.389 3.406 0.000) 4.160 6.518 ( 3.963 -1.098 0.000) 4.113 6.521 ( -2.857 4.494 0.000) 5.326 6.596 ( -3.692 -2.662 0.000) 4.552 6.636 ( 2.451 0.765 0.000) 2.568 6.687 ( -2.692 3.280 0.000) 4.243 6.690 ( 3.283 -4.262 0.000) 5.379 6.762 ( -3.118 -3.993 0.000) 5.067 6.977 ( 1.858 1.259 0.000) 2.244 6.995 ( 1.553 -0.578 0.000) 1.657 7.015 ( -1.702 0.764 0.000) 1.865 7.028 ( -1.621 -0.544 0.000) 1.710 7.402 ( 1.377 3.138 0.000) 3.427 7.423 ( -0.988 3.106 0.000) 3.259 7.442 ( 2.160 -0.894 0.000) 2.338 7.477 ( -1.404 -2.245 0.000) 2.648 7.576 ( 2.764 3.456 0.000) 4.425 7.643 ( -3.246 4.396 0.000) 5.465 7.656 ( 4.009 -4.516 0.000) 6.039 7.735 ( -3.024 -4.603 0.000) 5.508 7.916 ( 3.112 4.238 0.000) 5.258 7.973 ( -2.243 4.283 0.000) 4.835 8.003 ( 4.400 -4.292 0.000) 6.147 8.054 ( -0.999 -3.818 0.000) 3.946 8.295 ( 2.303 0.855 0.000) 2.457 8.309 ( 3.529 -0.584 0.000) 3.577 8.346 ( -2.503 2.350 0.000) 3.434 8.376 ( -2.976 -0.690 0.000) 3.054 8.494 ( 6.463 -0.055 0.000) 6.463 8.499 ( 6.575 -0.243 0.000) 6.580 8.614 ( -4.715 -0.051 0.000) 4.715 8.622 ( -4.986 -0.697 0.000) 5.035 ======================= Grid point 65 (22/63) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.394 ( 0.000 0.000 19.000) 19.000 0.472 ( 0.000 0.000 20.670) 20.670 0.710 ( 0.000 0.000 34.176) 34.176 0.857 ( 0.000 0.000 -0.347) 0.347 0.859 ( 0.000 0.000 -0.109) 0.109 0.894 ( 0.000 0.000 -3.181) 3.181 0.922 ( 0.000 0.000 -4.280) 4.280 1.332 ( 0.000 0.000 1.761) 1.761 1.347 ( 0.000 0.000 6.740) 6.740 1.409 ( 0.000 0.000 -2.395) 2.395 1.450 ( 0.000 0.000 1.032) 1.032 1.459 ( 0.000 0.000 3.506) 3.506 1.634 ( 0.000 0.000 -1.143) 1.143 1.740 ( 0.000 0.000 -8.031) 8.031 1.783 ( 0.000 0.000 -8.030) 8.030 1.983 ( 0.000 0.000 -17.922) 17.922 2.323 ( 0.000 0.000 1.697) 1.697 2.394 ( 0.000 0.000 -1.238) 1.238 2.472 ( 0.000 0.000 1.874) 1.874 2.666 ( 0.000 0.000 0.729) 0.729 2.715 ( 0.000 0.000 -1.267) 1.267 2.762 ( 0.000 0.000 0.495) 0.495 2.763 ( 0.000 0.000 -6.634) 6.634 2.780 ( 0.000 0.000 -0.312) 0.312 2.945 ( 0.000 0.000 7.993) 7.993 2.995 ( 0.000 0.000 2.204) 2.204 3.027 ( 0.000 0.000 5.802) 5.802 3.291 ( 0.000 0.000 -4.972) 4.972 3.377 ( 0.000 0.000 0.427) 0.427 3.398 ( 0.000 0.000 -0.830) 0.830 3.555 ( 0.000 0.000 3.376) 3.376 3.712 ( 0.000 0.000 -2.647) 2.647 3.870 ( 0.000 0.000 1.482) 1.482 3.946 ( 0.000 0.000 -1.654) 1.654 5.102 ( 0.000 0.000 2.682) 2.682 5.227 ( 0.000 0.000 -2.264) 2.264 5.720 ( 0.000 0.000 2.605) 2.605 5.865 ( 0.000 0.000 2.911) 2.911 5.883 ( 0.000 0.000 -3.723) 3.723 5.962 ( 0.000 0.000 2.544) 2.544 6.006 ( 0.000 0.000 -2.904) 2.904 6.079 ( 0.000 0.000 -2.046) 2.046 6.283 ( 0.000 0.000 -0.098) 0.098 6.362 ( 0.000 0.000 -4.381) 4.381 6.458 ( 0.000 0.000 2.106) 2.106 6.543 ( 0.000 0.000 -0.175) 0.175 6.544 ( 0.000 0.000 -0.421) 0.421 6.547 ( 0.000 0.000 -1.702) 1.702 6.745 ( 0.000 0.000 0.897) 0.897 6.756 ( 0.000 0.000 4.154) 4.154 6.790 ( 0.000 0.000 -0.811) 0.811 6.852 ( 0.000 0.000 6.798) 6.798 6.861 ( 0.000 0.000 6.487) 6.487 6.958 ( 0.000 0.000 -4.575) 4.575 7.037 ( 0.000 0.000 -1.272) 1.272 7.267 ( 0.000 0.000 -9.371) 9.371 7.418 ( 0.000 0.000 0.381) 0.381 7.504 ( 0.000 0.000 3.817) 3.817 7.548 ( 0.000 0.000 -6.612) 6.612 7.731 ( 0.000 0.000 -5.834) 5.834 7.975 ( 0.000 0.000 6.732) 6.732 7.996 ( 0.000 0.000 6.342) 6.342 8.119 ( 0.000 0.000 -1.094) 1.094 8.188 ( 0.000 0.000 -2.172) 2.172 8.369 ( 0.000 0.000 0.670) 0.670 8.373 ( 0.000 0.000 0.246) 0.246 8.557 ( 0.000 0.000 2.131) 2.131 8.681 ( 0.000 0.000 -3.241) 3.241 8.792 ( 0.000 0.000 1.588) 1.588 8.848 ( 0.000 0.000 -0.945) 0.945 8.981 ( 0.000 0.000 0.731) 0.731 9.015 ( 0.000 0.000 -0.547) 0.547 ======================= Grid point 66 (23/63) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( 7.029 0.000 14.201) 15.846 0.600 ( 9.746 0.000 11.847) 15.341 0.854 ( -0.624 0.000 0.019) 0.625 0.862 ( 0.449 0.000 -0.416) 0.613 0.892 ( -0.212 0.000 -2.664) 2.673 0.947 ( 10.816 0.000 15.220) 18.672 1.020 ( 6.451 0.000 -2.661) 6.978 1.242 ( -4.476 0.000 -2.062) 4.927 1.394 ( -2.017 0.000 -1.233) 2.364 1.422 ( 7.803 0.000 7.299) 10.684 1.553 ( 6.566 0.000 3.550) 7.464 1.681 ( 12.412 0.000 0.229) 12.414 1.802 ( 5.981 0.000 -7.384) 9.502 1.809 ( 5.166 0.000 -2.539) 5.756 1.867 ( 21.729 0.000 -3.998) 22.094 2.071 ( 12.932 0.000 -13.477) 18.678 2.219 ( -9.896 0.000 2.457) 10.197 2.321 ( -6.647 0.000 -1.723) 6.867 2.484 ( 1.623 0.000 1.545) 2.241 2.651 ( -5.872 0.000 1.151) 5.983 2.695 ( 2.128 0.000 0.512) 2.189 2.734 ( 1.439 0.000 -1.083) 1.801 2.761 ( -0.058 0.000 0.443) 0.446 2.779 ( -0.124 0.000 -0.329) 0.352 2.806 ( -9.760 0.000 8.985) 13.266 2.896 ( -3.535 0.000 0.714) 3.607 3.147 ( 3.542 0.000 0.740) 3.618 3.298 ( -1.295 0.000 -3.620) 3.844 3.311 ( -2.404 0.000 0.875) 2.558 3.358 ( -3.912 0.000 -0.569) 3.954 3.517 ( -3.247 0.000 1.851) 3.738 3.532 ( -5.753 0.000 2.899) 6.442 3.974 ( 6.128 0.000 0.475) 6.146 4.029 ( 7.941 0.000 -1.471) 8.077 4.919 ( -16.956 0.000 3.480) 17.310 5.065 ( -15.651 0.000 -2.632) 15.871 5.721 ( 0.166 0.000 2.537) 2.542 5.809 ( -3.051 0.000 1.443) 3.375 5.930 ( 2.284 0.000 -2.553) 3.426 6.001 ( -0.483 0.000 -3.110) 3.148 6.177 ( 8.329 0.000 1.157) 8.409 6.300 ( 1.727 0.000 0.205) 1.739 6.378 ( 1.502 0.000 -3.895) 4.175 6.392 ( 20.291 0.000 -15.508) 25.538 6.444 ( -1.307 0.000 1.786) 2.213 6.516 ( -1.179 0.000 2.876) 3.109 6.528 ( -1.890 0.000 -1.775) 2.593 6.610 ( 5.047 0.000 -2.490) 5.628 6.745 ( 0.262 0.000 0.173) 0.314 6.766 ( 0.974 0.000 4.446) 4.551 6.810 ( 1.880 0.000 -1.425) 2.359 6.850 ( -1.062 0.000 6.217) 6.307 6.857 ( 0.584 0.000 5.535) 5.565 6.968 ( 0.940 0.000 -4.127) 4.233 7.031 ( -0.600 0.000 -1.566) 1.677 7.153 ( -11.431 0.000 -2.062) 11.615 7.321 ( -2.403 0.000 0.687) 2.499 7.425 ( -7.094 0.000 -0.752) 7.134 7.536 ( -1.093 0.000 -0.272) 1.126 7.701 ( -3.212 0.000 -5.682) 6.527 7.936 ( 1.530 0.000 6.518) 6.695 8.094 ( -2.162 0.000 -1.297) 2.521 8.163 ( 7.216 0.000 -0.063) 7.217 8.200 ( 0.622 0.000 -0.294) 0.688 8.337 ( 1.353 0.000 1.814) 2.263 8.377 ( 1.649 0.000 -0.621) 1.762 8.640 ( 6.025 0.000 3.296) 6.868 8.722 ( -1.310 0.000 1.058) 1.684 8.827 ( -2.359 0.000 -0.079) 2.360 8.867 ( 3.999 0.000 -2.047) 4.493 8.969 ( 1.884 0.000 -0.423) 1.931 9.081 ( 3.574 0.000 -6.895) 7.767 ======================= Grid point 67 (24/63) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 10.308 0.000 1.120) 10.369 0.759 ( 5.624 0.000 3.579) 6.666 0.830 ( -2.026 0.000 0.799) 2.178 0.873 ( 0.635 0.000 -0.829) 1.044 0.885 ( -0.510 0.000 -1.644) 1.721 0.920 ( -11.489 0.000 -3.373) 11.974 1.059 ( 4.148 0.000 0.371) 4.164 1.153 ( -5.256 0.000 -1.329) 5.421 1.538 ( 9.972 0.000 0.714) 9.998 1.652 ( 14.741 0.000 6.676) 16.182 1.655 ( 0.659 0.000 -1.708) 1.830 1.739 ( 1.739 0.000 4.056) 4.414 1.820 ( -3.234 0.000 2.495) 4.084 1.934 ( -3.163 0.000 -1.504) 3.502 1.989 ( -2.526 0.000 0.400) 2.558 2.157 ( -9.467 0.000 -3.267) 10.015 2.343 ( 14.569 0.000 -0.907) 14.597 2.385 ( 7.076 0.000 -2.915) 7.653 2.590 ( 5.120 0.000 1.228) 5.265 2.644 ( -0.936 0.000 3.459) 3.583 2.705 ( 14.318 0.000 3.074) 14.645 2.732 ( 1.464 0.000 0.374) 1.511 2.751 ( -0.322 0.000 0.080) 0.331 2.764 ( 0.667 0.000 -0.483) 0.824 2.775 ( -0.351 0.000 -0.464) 0.582 2.882 ( 4.908 0.000 -4.052) 6.365 3.069 ( -10.816 0.000 2.295) 11.057 3.148 ( -13.638 0.000 -1.611) 13.732 3.326 ( 3.046 0.000 -1.943) 3.613 3.347 ( 1.008 0.000 -2.428) 2.629 3.452 ( -2.629 0.000 1.108) 2.853 3.455 ( -2.683 0.000 0.830) 2.808 4.156 ( 13.266 0.000 2.154) 13.440 4.266 ( 16.356 0.000 -2.331) 16.521 4.513 ( -21.370 0.000 3.478) 21.651 4.669 ( -22.316 0.000 -2.914) 22.505 5.730 ( 0.846 0.000 2.352) 2.500 5.758 ( -2.012 0.000 2.022) 2.853 5.966 ( 1.348 0.000 -3.383) 3.642 5.987 ( -0.885 0.000 -3.455) 3.566 6.340 ( 7.227 0.000 4.620) 8.578 6.347 ( 2.731 0.000 0.612) 2.799 6.396 ( -1.529 0.000 -0.097) 1.532 6.430 ( 1.625 0.000 -1.636) 2.306 6.454 ( -4.299 0.000 4.730) 6.392 6.480 ( -2.751 0.000 -2.030) 3.418 6.645 ( 6.976 0.000 -6.625) 9.621 6.705 ( 1.624 0.000 -4.417) 4.706 6.781 ( 4.642 0.000 0.166) 4.645 6.792 ( 1.531 0.000 5.082) 5.307 6.823 ( -1.578 0.000 5.714) 5.928 6.847 ( 1.045 0.000 -2.215) 2.449 6.872 ( 0.784 0.000 1.766) 1.932 6.945 ( -8.623 0.000 0.494) 8.637 6.991 ( 1.254 0.000 -3.256) 3.489 7.015 ( -1.072 0.000 -2.319) 2.555 7.278 ( -1.943 0.000 -0.121) 1.947 7.296 ( -4.474 0.000 -0.262) 4.481 7.547 ( 2.688 0.000 -1.446) 3.052 7.623 ( -4.321 0.000 -4.105) 5.960 7.984 ( 2.810 0.000 2.736) 3.922 8.042 ( -2.954 0.000 0.140) 2.957 8.210 ( 0.727 0.000 -0.213) 0.758 8.224 ( -0.136 0.000 -0.575) 0.591 8.439 ( 7.682 0.000 0.975) 7.744 8.479 ( 7.473 0.000 -0.223) 7.476 8.603 ( -6.145 0.000 1.902) 6.432 8.667 ( -8.400 0.000 -1.086) 8.470 8.838 ( 6.022 0.000 3.406) 6.918 8.912 ( -0.627 0.000 1.205) 1.358 9.046 ( 4.319 0.000 -2.586) 5.034 9.105 ( -1.144 0.000 -5.182) 5.307 ======================= Grid point 70 (25/63) ======================= q-point: ( 0.00 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( 0.000 12.775 10.665) 16.641 0.571 ( 0.000 13.812 11.447) 17.939 0.958 ( 0.000 4.352 -3.359) 5.498 0.998 ( 0.000 8.102 -4.956) 9.497 1.014 ( 0.000 14.759 0.616) 14.772 1.028 ( 0.000 14.917 -0.201) 14.918 1.153 ( 0.000 25.835 16.748) 30.789 1.289 ( 0.000 -2.249 2.322) 3.232 1.426 ( 0.000 -0.990 -0.463) 1.093 1.433 ( 0.000 2.025 -2.935) 3.566 1.490 ( 0.000 6.014 3.068) 6.752 1.558 ( 0.000 0.433 -2.913) 2.945 1.671 ( 0.000 -3.472 -7.384) 8.159 1.701 ( 0.000 -4.832 -6.710) 8.269 1.804 ( 0.000 19.106 -7.481) 20.518 2.139 ( 0.000 9.379 -7.922) 12.277 2.349 ( 0.000 -0.328 0.714) 0.786 2.394 ( 0.000 -2.775 0.367) 2.799 2.521 ( 0.000 7.609 0.436) 7.621 2.715 ( 0.000 1.336 -2.272) 2.636 2.788 ( 0.000 3.819 -0.741) 3.890 2.788 ( 0.000 10.737 -1.182) 10.802 2.870 ( 0.000 8.105 1.085) 8.177 2.885 ( 0.000 5.213 1.760) 5.502 2.926 ( 0.000 4.361 3.435) 5.551 2.938 ( 0.000 2.340 4.159) 4.772 3.072 ( 0.000 4.606 6.127) 7.665 3.270 ( 0.000 -4.748 5.204) 7.044 3.305 ( 0.000 1.190 -3.404) 3.606 3.378 ( 0.000 -1.937 -1.260) 2.311 3.471 ( 0.000 -7.600 2.410) 7.973 3.493 ( 0.000 -4.589 0.578) 4.625 3.859 ( 0.000 -1.129 1.483) 1.864 3.935 ( 0.000 -1.173 -1.640) 2.016 5.079 ( 0.000 -1.209 2.521) 2.796 5.194 ( 0.000 -3.043 -2.117) 3.708 5.938 ( 0.000 0.092 1.475) 1.478 5.956 ( 0.000 4.113 0.300) 4.124 5.971 ( 0.000 10.295 0.915) 10.336 6.056 ( 0.000 -0.836 -2.519) 2.654 6.105 ( 0.000 8.551 -1.557) 8.692 6.190 ( 0.000 12.863 -10.150) 16.385 6.319 ( 0.000 3.725 -0.871) 3.826 6.382 ( 0.000 1.652 -2.570) 3.055 6.563 ( 0.000 7.296 -5.452) 9.108 6.567 ( 0.000 2.716 0.222) 2.725 6.587 ( 0.000 3.202 -1.015) 3.359 6.615 ( 0.000 6.633 -1.158) 6.734 6.745 ( 0.000 1.747 1.614) 2.378 6.769 ( 0.000 2.723 0.006) 2.723 6.793 ( 0.000 -1.758 4.724) 5.041 6.906 ( 0.000 8.080 1.379) 8.196 6.995 ( 0.000 9.515 6.649) 11.608 7.007 ( 0.000 4.304 -4.277) 6.068 7.051 ( 0.000 1.383 -2.937) 3.247 7.287 ( 0.000 2.028 -6.476) 6.786 7.438 ( 0.000 1.899 0.656) 2.009 7.500 ( 0.000 -0.442 3.821) 3.847 7.601 ( 0.000 1.619 -5.552) 5.783 7.734 ( 0.000 0.135 -5.737) 5.739 7.964 ( 0.000 -3.009 5.632) 6.385 8.001 ( 0.000 1.411 -0.881) 1.664 8.092 ( 0.000 -2.679 -1.077) 2.887 8.156 ( 0.000 -3.000 -2.213) 3.728 8.336 ( 0.000 -3.423 0.997) 3.565 8.351 ( 0.000 -2.353 0.220) 2.364 8.530 ( 0.000 -2.233 1.875) 2.916 8.623 ( 0.000 -5.258 -0.964) 5.346 8.741 ( 0.000 -5.308 4.146) 6.736 8.821 ( 0.000 -3.209 -1.029) 3.370 8.883 ( 0.000 -5.955 3.442) 6.878 8.908 ( 0.000 -6.135 0.589) 6.163 ======================= Grid point 71 (26/63) ======================= q-point: ( 0.20 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 9.456 9.610 6.272) 14.870 0.691 ( 5.726 7.586 8.740) 12.912 0.980 ( -0.135 6.900 -2.686) 7.405 1.000 ( -0.572 9.401 -2.119) 9.654 1.021 ( 0.626 13.242 -0.007) 13.257 1.031 ( 1.646 8.008 -2.154) 8.454 1.213 ( -3.255 9.541 4.221) 10.929 1.258 ( 0.164 8.168 3.980) 9.087 1.364 ( 2.754 4.878 -0.976) 5.686 1.486 ( 4.736 -3.506 -0.666) 5.930 1.648 ( 3.105 -2.540 -1.912) 4.444 1.711 ( 1.798 -0.877 -1.979) 2.814 1.758 ( 1.982 8.178 0.763) 8.450 1.804 ( 19.491 4.366 -0.834) 19.991 1.904 ( 22.433 6.834 -3.668) 23.735 2.209 ( 9.005 9.173 -7.043) 14.657 2.296 ( -6.484 2.232 1.721) 7.070 2.343 ( -3.457 0.025 -0.704) 3.528 2.499 ( -0.897 5.202 0.721) 5.328 2.626 ( -4.404 3.187 0.021) 5.436 2.735 ( -5.847 0.698 3.339) 6.769 2.802 ( 0.426 5.260 -2.119) 5.687 2.870 ( -0.673 8.423 2.066) 8.699 2.880 ( 0.786 9.381 0.762) 9.445 2.903 ( -0.182 10.770 -0.208) 10.774 2.923 ( -1.003 6.498 0.858) 6.631 3.159 ( 4.053 1.826 1.960) 4.858 3.245 ( -1.467 -3.385 3.673) 5.205 3.310 ( -0.985 0.866 -3.083) 3.350 3.339 ( -2.850 -1.224 -1.205) 3.328 3.451 ( -1.824 -5.402 1.585) 5.917 3.471 ( -2.120 -3.691 0.353) 4.271 3.937 ( 6.964 -2.262 1.451) 7.464 4.012 ( 7.535 -1.685 -1.604) 7.885 4.903 ( -16.667 -1.133 2.761) 16.932 5.031 ( -15.661 -3.045 -2.458) 16.142 5.895 ( -2.282 8.896 0.881) 9.226 5.912 ( -2.516 8.131 0.602) 8.533 6.001 ( 1.556 6.626 -0.596) 6.833 6.064 ( -0.364 4.237 -2.292) 4.831 6.164 ( 5.531 0.694 1.129) 5.687 6.274 ( 3.531 -0.612 -1.480) 3.877 6.347 ( 3.117 0.240 -3.078) 4.387 6.399 ( 1.792 1.212 -2.737) 3.488 6.539 ( -1.218 4.923 -0.725) 5.123 6.570 ( -0.627 4.460 1.575) 4.771 6.620 ( 2.880 5.676 -6.092) 8.810 6.653 ( 3.516 4.496 -1.318) 5.858 6.745 ( 0.402 1.795 0.596) 1.933 6.787 ( 1.662 2.504 0.533) 3.052 6.799 ( 0.397 -0.685 3.382) 3.473 6.921 ( 1.441 7.632 1.327) 7.879 6.973 ( -1.744 7.252 3.693) 8.322 7.022 ( 1.010 5.389 -2.331) 5.958 7.047 ( -0.387 1.947 -2.815) 3.445 7.226 ( -7.941 5.466 -3.528) 10.266 7.346 ( -3.977 2.461 1.318) 4.859 7.430 ( -7.142 0.415 -0.305) 7.161 7.545 ( -1.752 0.467 0.835) 1.996 7.714 ( -3.242 1.136 -5.497) 6.483 7.919 ( 0.920 -1.908 5.133) 5.553 8.065 ( -2.120 -3.034 -1.615) 4.038 8.141 ( 6.480 -1.983 -0.878) 6.833 8.173 ( 1.302 -2.787 -0.559) 3.126 8.303 ( 0.960 -2.909 2.601) 4.018 8.358 ( 1.434 -1.964 -0.646) 2.516 8.606 ( 5.228 -3.216 2.990) 6.827 8.683 ( -1.261 -3.755 1.064) 4.102 8.779 ( -4.470 -5.130 -0.004) 6.804 8.820 ( 7.329 -5.987 -3.536) 10.102 8.908 ( 3.181 -5.012 0.445) 5.953 8.947 ( 3.765 -7.608 -0.323) 8.495 ======================= Grid point 72 (27/63) ======================= q-point: ( 0.40 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 4.742 5.041 -0.276) 6.926 0.774 ( 1.722 2.813 2.014) 3.864 0.967 ( 0.154 9.179 -2.367) 9.480 0.992 ( -0.680 7.665 -3.202) 8.335 1.024 ( 0.497 12.723 -0.441) 12.740 1.054 ( -0.995 8.178 -2.856) 8.719 1.130 ( -1.333 10.203 3.390) 10.834 1.179 ( -4.658 4.456 0.729) 6.487 1.495 ( 6.267 0.546 -0.582) 6.317 1.566 ( 0.996 -4.070 -2.119) 4.696 1.665 ( 1.328 -3.423 3.195) 4.868 1.720 ( -2.045 -4.551 1.793) 5.302 1.875 ( 10.184 11.605 4.823) 16.176 2.057 ( 2.284 5.730 -2.370) 6.608 2.118 ( -4.362 7.092 1.787) 8.515 2.236 ( -6.860 4.405 -2.481) 8.522 2.365 ( 13.117 4.674 -0.315) 13.929 2.428 ( 3.003 5.997 -2.406) 7.125 2.577 ( 3.171 1.577 0.574) 3.588 2.611 ( -1.455 0.708 1.987) 2.563 2.704 ( 17.519 1.854 2.368) 17.775 2.842 ( 5.080 5.386 -2.084) 7.691 2.873 ( 0.497 10.868 0.789) 10.908 2.894 ( 0.444 10.389 -0.086) 10.399 2.905 ( 0.234 11.821 -0.191) 11.824 2.919 ( 2.112 6.286 -1.815) 6.875 3.082 ( -10.094 1.728 1.916) 10.418 3.149 ( -13.122 0.437 -1.369) 13.201 3.299 ( 4.057 -1.484 -0.139) 4.323 3.343 ( 0.303 -0.118 -2.011) 2.037 3.409 ( -1.611 -3.363 0.967) 3.853 3.423 ( -2.283 -2.368 0.077) 3.290 4.135 ( 13.895 -1.705 2.076) 14.152 4.241 ( 16.007 -2.461 -2.187) 16.342 4.499 ( -21.555 -1.154 2.917) 21.783 4.637 ( -22.168 -2.978 -2.690) 22.528 5.867 ( -0.551 10.535 0.885) 10.587 5.874 ( -1.195 9.572 0.825) 9.682 6.028 ( 1.171 5.666 -1.623) 6.009 6.049 ( -0.981 5.411 -2.165) 5.910 6.264 ( 3.569 -3.686 3.299) 6.100 6.299 ( -0.263 -2.957 2.546) 3.911 6.406 ( 2.424 -1.241 -2.381) 3.617 6.431 ( 0.394 -1.945 -2.624) 3.290 6.523 ( 0.118 6.884 1.705) 7.093 6.546 ( -1.649 6.273 2.711) 7.030 6.685 ( 3.231 2.931 -5.149) 6.748 6.715 ( 1.216 1.797 -1.932) 2.906 6.765 ( 1.590 1.116 1.638) 2.541 6.794 ( -0.768 -0.123 3.932) 4.008 6.844 ( 3.807 4.123 -1.143) 5.727 6.921 ( -3.358 4.935 0.171) 5.972 6.966 ( 2.851 7.255 0.821) 7.838 7.031 ( -1.132 4.693 -2.302) 5.349 7.042 ( 0.020 4.900 -2.214) 5.377 7.064 ( -5.340 6.573 -0.442) 8.480 7.293 ( -2.065 1.610 0.639) 2.695 7.304 ( -4.077 0.952 0.364) 4.202 7.556 ( 2.759 0.790 -0.556) 2.923 7.633 ( -4.455 0.905 -3.462) 5.714 7.959 ( 2.580 -2.419 2.289) 4.213 8.014 ( -2.845 -2.785 -0.029) 3.981 8.192 ( 0.813 -1.852 -0.134) 2.027 8.203 ( 0.225 -2.071 -0.576) 2.161 8.400 ( 7.442 -3.525 1.111) 8.309 8.445 ( 6.976 -3.099 -0.556) 7.654 8.556 ( -6.398 -4.363 1.784) 7.947 8.618 ( -8.326 -4.698 -1.007) 9.613 8.799 ( 6.572 -3.677 3.014) 8.111 8.883 ( -1.029 -2.796 0.889) 3.109 8.984 ( 3.281 -5.857 -2.499) 7.163 9.008 ( 1.191 -7.951 -2.943) 8.561 ======================= Grid point 75 (28/63) ======================= q-point: ( 0.00 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 0.000 10.167 5.023) 11.340 0.844 ( 0.000 20.596 -2.576) 20.757 1.034 ( 0.000 2.931 -2.713) 3.994 1.136 ( 0.000 5.940 -9.826) 11.482 1.209 ( 0.000 -0.845 3.182) 3.293 1.355 ( 0.000 12.833 -1.746) 12.951 1.370 ( 0.000 15.435 0.161) 15.436 1.393 ( 0.000 1.856 -1.902) 2.657 1.534 ( 0.000 1.223 -1.334) 1.810 1.544 ( 0.000 2.840 -1.703) 3.311 1.564 ( 0.000 12.049 2.699) 12.348 1.581 ( 0.000 2.451 0.485) 2.499 1.729 ( 0.000 16.158 4.506) 16.775 1.734 ( 0.000 5.080 -0.872) 5.154 2.108 ( 0.000 9.192 -4.165) 10.091 2.224 ( 0.000 0.548 -2.133) 2.202 2.342 ( 0.000 1.289 3.080) 3.339 2.363 ( 0.000 1.675 3.150) 3.568 2.715 ( 0.000 9.811 0.651) 9.833 2.799 ( 0.000 5.535 -2.111) 5.924 2.832 ( 0.000 2.823 1.378) 3.142 2.881 ( 0.000 2.960 -0.990) 3.121 3.039 ( 0.000 8.764 -1.562) 8.902 3.065 ( 0.000 8.806 -1.214) 8.889 3.194 ( 0.000 17.572 0.030) 17.572 3.202 ( 0.000 6.583 4.080) 7.745 3.239 ( 0.000 19.737 -2.098) 19.848 3.239 ( 0.000 1.090 0.817) 1.362 3.342 ( 0.000 1.254 -0.233) 1.275 3.351 ( 0.000 2.255 0.260) 2.270 3.387 ( 0.000 3.816 1.033) 3.953 3.447 ( 0.000 2.763 -1.461) 3.125 3.824 ( 0.000 -2.512 1.476) 2.913 3.894 ( 0.000 -3.194 -1.363) 3.472 5.051 ( 0.000 -1.526 1.334) 2.027 5.118 ( 0.000 -4.351 -1.340) 4.553 5.927 ( 0.000 0.456 2.194) 2.241 6.050 ( 0.000 0.864 -2.941) 3.066 6.062 ( 0.000 4.828 3.507) 5.967 6.186 ( 0.000 8.447 -1.035) 8.510 6.280 ( 0.000 7.942 0.721) 7.974 6.329 ( 0.000 6.517 1.562) 6.702 6.405 ( 0.000 0.253 -0.632) 0.681 6.417 ( 0.000 5.101 -3.864) 6.399 6.645 ( 0.000 1.849 -3.994) 4.401 6.645 ( 0.000 4.482 0.922) 4.576 6.657 ( 0.000 4.132 0.640) 4.181 6.753 ( 0.000 -2.691 3.782) 4.641 6.762 ( 0.000 6.842 -1.521) 7.009 6.850 ( 0.000 8.217 -0.712) 8.247 6.853 ( 0.000 5.511 0.439) 5.528 7.027 ( 0.000 -2.053 -8.362) 8.610 7.052 ( 0.000 5.434 1.272) 5.581 7.137 ( 0.000 5.457 -1.977) 5.804 7.246 ( 0.000 14.895 3.766) 15.364 7.364 ( 0.000 5.670 -1.530) 5.873 7.484 ( 0.000 -1.295 4.674) 4.850 7.489 ( 0.000 3.109 0.745) 3.197 7.565 ( 0.000 -4.158 -0.419) 4.179 7.710 ( 0.000 -3.324 -4.548) 5.633 7.909 ( 0.000 -1.120 2.282) 2.542 7.968 ( 0.000 -4.370 -2.380) 4.976 8.015 ( 0.000 -4.870 0.052) 4.870 8.111 ( 0.000 -0.655 -3.581) 3.640 8.239 ( 0.000 -5.846 1.501) 6.036 8.276 ( 0.000 -4.908 -0.066) 4.908 8.483 ( 0.000 -2.423 1.559) 2.881 8.526 ( 0.000 -3.986 0.702) 4.047 8.626 ( 0.000 -5.283 2.740) 5.952 8.687 ( 0.000 -8.830 -0.180) 8.832 8.815 ( 0.000 -2.241 0.491) 2.294 8.816 ( 0.000 -3.178 0.134) 3.181 ======================= Grid point 76 (29/63) ======================= q-point: ( 0.20 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 0.654 7.576 3.060) 8.197 0.886 ( 3.419 17.074 -1.836) 17.509 1.041 ( 0.151 1.371 -3.118) 3.410 1.105 ( -1.562 3.673 -3.938) 5.607 1.242 ( 2.114 5.421 -0.661) 5.856 1.310 ( -2.299 9.075 -1.830) 9.539 1.354 ( -0.840 13.887 1.546) 13.998 1.420 ( -2.494 7.562 -1.114) 8.041 1.456 ( 2.104 2.314 1.070) 3.305 1.559 ( 1.305 0.697 -2.127) 2.591 1.659 ( 2.506 10.523 3.279) 11.304 1.671 ( 0.887 1.402 0.545) 1.746 1.888 ( 12.141 6.937 -0.318) 13.987 1.917 ( 17.064 7.655 -1.515) 18.763 2.151 ( 6.333 6.843 -0.303) 9.328 2.267 ( 3.577 -0.894 -2.108) 4.247 2.321 ( 1.169 6.078 3.801) 7.264 2.397 ( 5.925 4.775 1.298) 7.719 2.688 ( -2.041 10.719 0.353) 10.917 2.751 ( -3.507 7.278 -0.965) 8.136 2.783 ( -4.055 4.781 1.293) 6.401 2.869 ( -0.518 3.860 -3.174) 5.024 3.074 ( 2.291 7.826 -0.960) 8.211 3.080 ( 0.869 7.910 -0.372) 7.966 3.153 ( -1.835 10.552 0.969) 10.754 3.202 ( -1.871 9.797 -1.861) 10.146 3.255 ( 0.577 10.526 0.948) 10.584 3.264 ( 2.196 9.667 1.131) 9.978 3.331 ( -1.223 3.081 0.669) 3.382 3.362 ( 0.856 3.383 -0.071) 3.491 3.389 ( 0.195 5.634 0.628) 5.672 3.424 ( -2.033 2.652 -0.897) 3.460 3.890 ( 6.618 -2.712 1.441) 7.296 3.959 ( 6.665 -3.737 -1.347) 7.759 4.878 ( -16.519 -1.420 1.583) 16.655 4.956 ( -15.624 -4.259 -1.596) 16.273 5.976 ( 3.976 1.313 1.894) 4.595 6.049 ( -0.410 5.169 1.852) 5.506 6.087 ( 2.521 0.512 -1.146) 2.816 6.173 ( -1.167 7.677 -1.399) 7.890 6.264 ( -1.199 6.366 1.233) 6.594 6.313 ( -1.471 4.412 2.256) 5.169 6.383 ( -1.149 2.883 -2.792) 4.175 6.422 ( 0.027 1.323 -1.680) 2.139 6.635 ( 0.362 4.284 -0.232) 4.305 6.656 ( 0.321 3.821 1.951) 4.302 6.695 ( 2.598 3.003 -2.820) 4.870 6.764 ( 1.531 1.080 0.990) 2.119 6.790 ( 1.870 4.232 0.342) 4.639 6.832 ( -0.493 6.567 0.573) 6.610 6.890 ( 2.432 6.737 -1.716) 7.365 7.009 ( -1.445 -1.945 -7.166) 7.564 7.065 ( 1.159 5.509 0.771) 5.682 7.134 ( -0.266 5.312 -1.370) 5.492 7.229 ( -1.726 12.941 3.060) 13.409 7.342 ( -3.371 6.464 -1.178) 7.385 7.397 ( -4.202 1.901 1.885) 4.982 7.439 ( -6.702 0.585 -0.147) 6.729 7.548 ( 0.723 0.602 3.199) 3.335 7.725 ( -1.608 -0.946 -4.282) 4.671 7.863 ( -0.261 -2.881 3.410) 4.472 7.979 ( -1.370 -4.806 -1.845) 5.327 8.081 ( 5.146 -4.358 -0.702) 6.780 8.114 ( 1.266 -1.856 -2.370) 3.266 8.242 ( 1.324 -3.013 2.560) 4.170 8.301 ( 2.094 -3.654 -0.583) 4.252 8.527 ( 2.466 -4.319 2.128) 5.409 8.587 ( -0.423 -5.362 0.521) 5.404 8.633 ( -3.084 -7.926 0.105) 8.506 8.661 ( 7.229 -7.515 -0.724) 10.452 8.833 ( 1.063 -3.025 0.533) 3.251 8.844 ( 2.276 -3.930 -0.135) 4.543 ======================= Grid point 77 (30/63) ======================= q-point: ( 0.40 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 1.041 6.708 -0.345) 6.797 0.900 ( -2.377 8.057 -2.814) 8.859 1.065 ( 2.679 3.912 -0.971) 4.840 1.096 ( -0.276 4.013 -0.716) 4.086 1.271 ( 0.750 9.932 -1.315) 10.046 1.281 ( -0.546 9.479 -1.433) 9.602 1.341 ( -0.407 11.693 1.448) 11.790 1.361 ( -2.626 9.429 0.805) 9.821 1.523 ( 3.890 1.486 1.088) 4.304 1.578 ( -0.578 3.770 -1.464) 4.086 1.661 ( -0.591 -0.805 1.996) 2.232 1.668 ( -0.693 5.813 1.144) 5.965 2.039 ( 5.759 5.853 1.628) 8.371 2.127 ( 0.348 2.683 -0.933) 2.861 2.191 ( 2.420 2.007 0.575) 3.196 2.273 ( -2.889 0.484 -1.608) 3.342 2.534 ( 11.454 9.622 1.392) 15.024 2.618 ( 2.208 10.566 -2.353) 11.047 2.680 ( -0.481 7.426 0.429) 7.454 2.696 ( -2.659 6.156 0.473) 6.722 2.798 ( 17.188 7.812 1.503) 18.939 2.915 ( 6.953 4.027 -3.304) 8.688 3.057 ( -4.783 4.060 0.688) 6.311 3.096 ( -3.111 5.729 -0.849) 6.574 3.122 ( -0.281 8.443 -0.039) 8.448 3.157 ( -3.273 8.327 -2.262) 9.229 3.228 ( -1.800 13.948 0.076) 14.063 3.238 ( -4.157 10.711 -0.098) 11.490 3.339 ( 2.180 7.863 1.745) 8.344 3.369 ( -0.633 3.400 0.283) 3.470 3.393 ( 0.241 8.417 0.412) 8.431 3.398 ( -0.284 3.675 0.048) 3.686 4.094 ( 14.684 -2.444 1.595) 14.971 4.172 ( 15.434 -4.405 -1.497) 16.120 4.472 ( -22.070 -1.551 1.880) 22.204 4.561 ( -22.143 -4.353 -1.732) 22.633 6.037 ( 1.440 5.671 1.235) 5.980 6.045 ( 0.058 6.486 1.453) 6.647 6.132 ( 1.567 1.025 -1.210) 2.229 6.150 ( -0.816 4.347 -1.693) 4.736 6.252 ( 0.355 3.349 2.446) 4.162 6.278 ( -1.894 1.969 2.960) 4.028 6.385 ( 1.269 0.744 -2.136) 2.593 6.412 ( -1.067 0.050 -1.494) 1.837 6.647 ( 0.662 4.810 1.051) 4.967 6.657 ( -0.267 4.053 1.557) 4.350 6.750 ( 2.762 3.501 -3.132) 5.449 6.787 ( -0.322 3.854 -1.935) 4.324 6.817 ( 0.989 2.268 1.259) 2.776 6.830 ( -0.006 5.295 1.767) 5.582 6.943 ( 2.624 4.856 -2.892) 6.231 6.983 ( -1.323 0.515 -4.551) 4.767 7.098 ( 2.676 5.272 0.451) 5.930 7.138 ( 1.224 6.299 -0.819) 6.469 7.175 ( -3.423 7.565 0.602) 8.325 7.221 ( -6.625 7.492 -0.371) 10.008 7.348 ( -1.203 4.552 1.891) 5.074 7.356 ( -1.645 4.743 2.040) 5.419 7.580 ( 2.747 1.873 1.127) 3.510 7.653 ( -4.312 0.929 -1.667) 4.715 7.894 ( 2.278 -3.681 1.351) 4.535 7.940 ( -2.284 -4.069 -0.484) 4.692 8.139 ( 1.398 -3.165 -0.455) 3.490 8.149 ( 0.652 -3.042 -1.159) 3.320 8.323 ( 6.447 -3.599 1.283) 7.494 8.371 ( 5.491 -4.022 -0.778) 6.851 8.457 ( -6.385 -4.692 1.255) 8.022 8.503 ( -7.041 -6.022 -0.667) 9.289 8.707 ( 7.320 -5.162 2.136) 9.209 8.803 ( 1.924 -5.828 -1.064) 6.229 8.829 ( 0.680 -6.844 0.008) 6.877 8.873 ( -0.193 -6.033 -1.029) 6.123 ======================= Grid point 80 (31/63) ======================= q-point: ( 0.00 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 0.000 3.468 1.917) 3.962 1.050 ( 0.000 -1.649 -1.735) 2.394 1.126 ( 0.000 4.085 1.282) 4.281 1.246 ( 0.000 2.887 -4.928) 5.711 1.273 ( 0.000 10.830 0.209) 10.832 1.366 ( 0.000 2.590 -4.623) 5.299 1.479 ( 0.000 -2.234 -0.463) 2.282 1.508 ( 0.000 -1.009 -0.925) 1.369 1.685 ( 0.000 12.943 0.101) 12.943 1.686 ( 0.000 14.157 -0.094) 14.157 1.739 ( 0.000 3.809 6.388) 7.437 1.821 ( 0.000 12.557 0.079) 12.557 1.869 ( 0.000 10.933 1.303) 11.011 1.989 ( 0.000 9.354 -1.903) 9.546 2.188 ( 0.000 2.326 0.237) 2.338 2.262 ( 0.000 4.340 -2.653) 5.087 2.406 ( 0.000 3.060 3.440) 4.604 2.436 ( 0.000 4.823 1.107) 4.948 2.867 ( 0.000 5.404 1.006) 5.496 2.910 ( 0.000 3.878 -0.644) 3.931 2.935 ( 0.000 8.308 0.698) 8.338 2.998 ( 0.000 7.346 -1.708) 7.542 3.125 ( 0.000 1.123 -1.059) 1.543 3.138 ( 0.000 0.534 -1.013) 1.146 3.209 ( 0.000 -1.866 0.777) 2.021 3.234 ( 0.000 -1.190 -0.847) 1.461 3.269 ( 0.000 -2.475 1.088) 2.704 3.317 ( 0.000 -1.927 -0.911) 2.132 3.672 ( 0.000 19.373 -0.084) 19.373 3.680 ( 0.000 9.559 -0.537) 9.574 3.731 ( 0.000 24.706 0.735) 24.716 3.753 ( 0.000 23.217 -0.032) 23.217 3.799 ( 0.000 10.571 0.521) 10.584 3.816 ( 0.000 -0.329 -0.157) 0.365 5.020 ( 0.000 -1.555 0.146) 1.562 5.032 ( 0.000 -4.059 -0.319) 4.072 5.974 ( 0.000 4.311 2.001) 4.753 6.099 ( 0.000 3.954 -3.706) 5.419 6.133 ( 0.000 2.048 7.207) 7.492 6.277 ( 0.000 2.293 2.557) 3.435 6.392 ( 0.000 -0.125 -0.933) 0.941 6.414 ( 0.000 4.678 1.292) 4.854 6.444 ( 0.000 1.981 -3.873) 4.351 6.531 ( 0.000 6.351 -1.793) 6.600 6.662 ( 0.000 -5.111 1.672) 5.378 6.669 ( 0.000 1.081 -2.346) 2.583 6.722 ( 0.000 3.163 -0.918) 3.293 6.763 ( 0.000 4.517 3.812) 5.911 6.838 ( 0.000 -0.012 -0.394) 0.394 6.961 ( 0.000 2.289 -5.171) 5.655 7.004 ( 0.000 3.803 -3.851) 5.412 7.028 ( 0.000 8.422 -0.745) 8.455 7.111 ( 0.000 0.972 -0.056) 0.974 7.183 ( 0.000 -2.711 -0.677) 2.795 7.413 ( 0.000 -1.612 3.709) 4.044 7.457 ( 0.000 0.571 1.794) 1.883 7.485 ( 0.000 5.919 0.388) 5.932 7.537 ( 0.000 -0.877 -1.464) 1.706 7.576 ( 0.000 6.613 0.577) 6.638 7.692 ( 0.000 7.250 -3.305) 7.968 7.906 ( 0.000 -4.528 3.130) 5.504 7.914 ( 0.000 -0.118 0.535) 0.547 7.942 ( 0.000 2.791 -0.176) 2.796 8.115 ( 0.000 0.715 -5.347) 5.394 8.126 ( 0.000 -4.959 1.138) 5.088 8.170 ( 0.000 -5.467 -0.714) 5.513 8.428 ( 0.000 -3.334 1.185) 3.538 8.438 ( 0.000 -4.981 0.857) 5.054 8.540 ( 0.000 -5.131 1.383) 5.314 8.553 ( 0.000 -2.232 1.563) 2.725 8.758 ( 0.000 -2.735 0.321) 2.754 8.776 ( 0.000 -1.785 -0.344) 1.818 ======================= Grid point 81 (32/63) ======================= q-point: ( 0.20 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 0.049 3.368 1.297) 3.609 1.037 ( -1.472 -1.226 -1.834) 2.652 1.130 ( 0.733 3.439 0.848) 3.618 1.203 ( -2.214 6.270 -1.736) 6.873 1.337 ( 4.078 4.838 -1.395) 6.480 1.380 ( 1.444 4.856 -4.138) 6.541 1.476 ( -0.052 -1.286 0.155) 1.297 1.496 ( -1.253 -0.627 -0.088) 1.404 1.629 ( -2.422 11.970 1.128) 12.265 1.699 ( 2.230 12.768 -2.025) 13.119 1.723 ( -2.265 2.387 6.778) 7.534 1.879 ( 0.243 9.849 -0.580) 9.869 2.053 ( 9.673 9.270 0.189) 13.399 2.097 ( 11.297 9.272 -1.291) 14.672 2.197 ( 1.065 1.891 1.546) 2.665 2.288 ( 2.206 3.606 -2.288) 4.807 2.458 ( 7.509 5.596 2.730) 9.755 2.513 ( 10.011 6.062 0.034) 11.703 2.854 ( -1.077 6.000 0.541) 6.119 2.882 ( -2.555 4.927 -0.518) 5.574 2.925 ( -0.364 8.739 0.646) 8.770 2.985 ( -0.786 6.856 -1.659) 7.098 3.137 ( -0.042 0.688 -0.520) 0.863 3.147 ( 1.450 0.322 -0.941) 1.759 3.204 ( -0.594 -0.666 0.633) 1.094 3.229 ( -0.384 -0.485 -0.946) 1.130 3.265 ( -0.454 -3.003 0.732) 3.124 3.307 ( -1.070 -2.036 -1.040) 2.525 3.685 ( 1.027 20.735 0.589) 20.769 3.704 ( 2.215 17.394 -0.427) 17.539 3.736 ( -0.061 25.108 0.565) 25.114 3.756 ( 0.475 24.270 -0.104) 24.275 3.840 ( 5.311 1.528 0.882) 5.596 3.869 ( 5.393 -2.346 -0.273) 5.887 4.846 ( -16.465 -1.909 0.522) 16.583 4.874 ( -15.517 -3.581 -0.616) 15.936 6.013 ( 3.624 3.170 1.699) 5.106 6.119 ( 1.700 3.042 -3.226) 4.748 6.131 ( 0.055 2.368 6.278) 6.710 6.261 ( -1.424 2.544 2.648) 3.939 6.346 ( -4.709 1.422 0.780) 4.981 6.364 ( -2.510 0.800 -0.262) 2.647 6.463 ( 0.622 3.210 -3.091) 4.499 6.497 ( -2.222 5.821 -2.266) 6.630 6.677 ( 0.420 -2.031 -1.302) 2.449 6.686 ( 0.619 0.078 -0.611) 0.874 6.754 ( 4.068 1.602 0.989) 4.482 6.772 ( 1.160 3.405 1.405) 3.862 6.878 ( 2.749 2.218 0.250) 3.541 6.948 ( -1.637 0.807 -5.800) 6.081 6.987 ( -1.108 4.210 -2.234) 4.893 7.024 ( -0.750 5.566 -2.301) 6.069 7.119 ( 1.446 -0.042 1.875) 2.368 7.205 ( 1.968 1.588 -0.927) 2.693 7.381 ( -4.452 1.773 1.427) 5.000 7.403 ( -1.883 0.885 1.493) 2.561 7.478 ( -1.272 5.499 1.625) 5.874 7.528 ( -3.092 7.628 2.362) 8.563 7.595 ( 3.468 0.955 -0.726) 3.670 7.706 ( -0.215 4.346 -3.731) 5.732 7.840 ( -1.851 -0.032 3.530) 3.986 7.914 ( -1.378 -1.445 1.074) 2.267 8.015 ( 4.892 -1.243 -2.125) 5.477 8.084 ( -0.276 -1.578 -3.362) 3.724 8.190 ( 3.649 -1.822 0.811) 4.158 8.226 ( 4.002 -3.240 -0.543) 5.178 8.438 ( 0.353 -4.728 1.293) 4.915 8.473 ( 0.621 -5.680 -0.415) 5.729 8.516 ( -0.569 -3.924 1.940) 4.414 8.554 ( 2.551 -3.166 0.701) 4.126 8.770 ( 0.504 -3.221 0.219) 3.268 8.781 ( 0.120 -2.551 -0.213) 2.562 ======================= Grid point 82 (33/63) ======================= q-point: ( 0.40 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 0.692 3.473 -0.029) 3.541 0.996 ( -2.260 1.587 -1.413) 3.102 1.152 ( 1.183 2.475 0.516) 2.791 1.172 ( -1.026 3.778 -0.149) 3.918 1.394 ( 1.993 3.992 -0.776) 4.529 1.419 ( 0.741 5.025 -2.697) 5.751 1.469 ( -0.412 1.454 -0.464) 1.581 1.478 ( -0.285 -0.488 -0.509) 0.761 1.612 ( 1.030 9.451 3.893) 10.273 1.663 ( -3.387 4.787 5.868) 8.296 1.764 ( 3.902 10.057 -2.840) 11.155 1.839 ( -3.354 9.000 -2.418) 9.904 2.153 ( 2.536 5.810 1.811) 6.592 2.189 ( -0.902 3.529 2.143) 4.226 2.258 ( 3.957 4.981 -1.183) 6.471 2.307 ( -0.868 3.411 -1.511) 3.831 2.696 ( 10.768 7.069 1.568) 12.976 2.777 ( 8.864 5.448 -1.751) 10.550 2.818 ( -3.355 6.239 0.287) 7.090 2.837 ( -1.094 7.445 -0.450) 7.538 2.974 ( 7.867 7.733 0.271) 11.035 3.009 ( 4.475 4.688 -1.160) 6.584 3.109 ( -3.421 1.700 0.146) 3.823 3.142 ( -4.238 0.583 -1.269) 4.463 3.197 ( 0.851 1.205 0.593) 1.590 3.220 ( -0.860 0.683 -0.254) 1.127 3.254 ( -0.175 -3.014 -0.536) 3.066 3.274 ( -1.911 -2.110 -1.143) 3.068 3.706 ( 1.092 22.513 1.176) 22.570 3.726 ( -0.837 23.700 0.982) 23.735 3.748 ( 1.651 25.028 -0.347) 25.085 3.763 ( -0.037 25.585 -0.158) 25.585 4.036 ( 15.352 -3.301 0.992) 15.735 4.071 ( 15.868 -5.412 -0.381) 16.770 4.435 ( -22.943 -2.316 0.935) 23.078 4.474 ( -22.797 -4.004 -0.645) 23.155 6.093 ( 3.736 1.399 0.856) 4.080 6.135 ( -0.200 1.976 0.751) 2.123 6.157 ( 2.093 2.527 1.753) 3.720 6.216 ( -3.406 4.044 1.992) 5.650 6.281 ( -0.571 -0.844 2.240) 2.461 6.311 ( -2.662 0.202 0.441) 2.705 6.464 ( -0.248 4.572 -3.047) 5.500 6.468 ( -0.663 5.643 -3.012) 6.431 6.683 ( 0.462 -1.531 -0.278) 1.623 6.692 ( -0.226 -0.789 -0.606) 1.020 6.812 ( 2.864 1.874 -1.522) 3.746 6.838 ( 3.374 2.222 -0.318) 4.052 6.885 ( -2.417 3.454 -2.189) 4.750 6.909 ( -1.937 1.639 -1.046) 2.744 6.982 ( 1.053 1.479 -1.333) 2.253 7.006 ( -0.931 0.285 -2.089) 2.305 7.175 ( 3.989 3.402 2.273) 5.715 7.245 ( -0.039 3.654 -0.751) 3.731 7.296 ( -1.579 5.234 1.445) 5.654 7.349 ( -3.702 5.316 -1.106) 6.572 7.460 ( 0.090 4.958 4.212) 6.506 7.480 ( -1.800 6.310 3.179) 7.291 7.641 ( 1.461 3.358 -1.374) 3.911 7.674 ( -2.128 2.599 -2.424) 4.142 7.848 ( 1.762 -0.248 2.422) 3.005 7.884 ( -1.671 -0.980 0.938) 2.153 8.087 ( 1.866 -1.670 -2.453) 3.505 8.096 ( 0.689 -2.009 -2.767) 3.488 8.270 ( 4.784 -1.577 1.264) 5.193 8.303 ( 3.905 -2.274 -0.242) 4.526 8.383 ( -4.572 -3.026 1.140) 5.600 8.407 ( -4.844 -3.360 0.080) 5.895 8.609 ( 7.389 -4.352 1.451) 8.698 8.668 ( 6.562 -6.115 -0.869) 9.011 8.735 ( -4.335 -3.832 0.625) 5.819 8.764 ( -2.612 -4.822 -0.523) 5.509 ======================= Grid point 85 (34/63) ======================= q-point: ( 0.00 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 0.000 -0.519 0.150) 0.541 0.989 ( 0.000 -3.728 -0.077) 3.729 1.151 ( 0.000 -0.207 1.016) 1.036 1.211 ( 0.000 -4.163 -1.502) 4.426 1.427 ( 0.000 -1.554 1.015) 1.856 1.457 ( 0.000 5.591 0.283) 5.599 1.479 ( 0.000 -1.837 -0.912) 2.051 1.485 ( 0.000 3.136 -2.203) 3.833 1.764 ( 0.000 3.332 8.691) 9.308 1.904 ( 0.000 8.945 0.326) 8.951 1.945 ( 0.000 11.614 -1.179) 11.674 2.030 ( 0.000 7.064 -2.350) 7.445 2.132 ( 0.000 13.291 -0.448) 13.299 2.138 ( 0.000 7.367 -2.112) 7.664 2.255 ( 0.000 4.265 2.570) 4.980 2.375 ( 0.000 5.865 -2.758) 6.481 2.483 ( 0.000 4.218 1.610) 4.515 2.507 ( 0.000 2.741 0.124) 2.744 2.922 ( 0.000 -0.307 1.270) 1.306 2.952 ( 0.000 -0.321 0.063) 0.327 3.055 ( 0.000 0.049 0.386) 0.389 3.073 ( 0.000 -1.257 -0.685) 1.432 3.143 ( 0.000 1.246 -0.294) 1.281 3.162 ( 0.000 2.484 -0.605) 2.556 3.205 ( 0.000 3.731 0.699) 3.796 3.208 ( 0.000 1.771 0.713) 1.909 3.257 ( 0.000 0.902 0.031) 0.903 3.274 ( 0.000 -1.902 -0.709) 2.030 3.605 ( 0.000 -7.072 0.827) 7.120 3.644 ( 0.000 -7.806 -0.785) 7.846 4.141 ( 0.000 22.406 1.476) 22.455 4.209 ( 0.000 22.822 -1.314) 22.860 4.260 ( 0.000 23.205 1.211) 23.237 4.310 ( 0.000 26.850 -0.942) 26.866 4.964 ( 0.000 -2.557 0.534) 2.612 4.991 ( 0.000 -1.271 -0.545) 1.383 6.088 ( 0.000 6.497 1.668) 6.708 6.135 ( 0.000 -1.604 7.576) 7.744 6.185 ( 0.000 3.377 -2.897) 4.449 6.299 ( 0.000 -0.016 2.358) 2.358 6.389 ( 0.000 0.281 -0.989) 1.028 6.426 ( 0.000 -1.954 -2.585) 3.241 6.489 ( 0.000 2.119 2.599) 3.353 6.565 ( 0.000 -3.238 -3.086) 4.473 6.598 ( 0.000 0.538 0.645) 0.840 6.709 ( 0.000 2.150 -7.424) 7.729 6.760 ( 0.000 0.641 1.309) 1.457 6.802 ( 0.000 -1.832 -5.624) 5.915 6.844 ( 0.000 3.686 3.125) 4.832 6.973 ( 0.000 -2.975 -2.132) 3.660 7.043 ( 0.000 0.063 -0.168) 0.180 7.087 ( 0.000 -0.454 1.031) 1.126 7.161 ( 0.000 4.450 1.317) 4.640 7.198 ( 0.000 6.384 -3.763) 7.411 7.437 ( 0.000 2.375 0.706) 2.478 7.476 ( 0.000 -1.858 -0.358) 1.892 7.477 ( 0.000 1.722 2.522) 3.054 7.575 ( 0.000 2.923 -2.221) 3.671 7.706 ( 0.000 4.838 3.941) 6.240 7.807 ( 0.000 -2.887 3.852) 4.814 7.857 ( 0.000 3.001 -1.119) 3.203 7.943 ( 0.000 1.816 0.766) 1.971 8.012 ( 0.000 1.154 0.667) 1.333 8.062 ( 0.000 -4.284 -1.199) 4.448 8.096 ( 0.000 4.692 -2.261) 5.209 8.143 ( 0.000 1.471 -6.928) 7.082 8.347 ( 0.000 -3.661 0.728) 3.733 8.351 ( 0.000 -4.171 0.268) 4.180 8.486 ( 0.000 -0.681 3.180) 3.252 8.519 ( 0.000 -1.426 2.742) 3.091 8.709 ( 0.000 -2.074 0.722) 2.196 8.742 ( 0.000 -1.607 -0.642) 1.730 ======================= Grid point 86 (35/63) ======================= q-point: ( 0.20 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 0.424 -0.385 0.066) 0.577 0.991 ( 0.176 -2.876 0.003) 2.881 1.151 ( 0.189 -0.465 0.834) 0.974 1.204 ( -0.728 -3.595 -1.292) 3.889 1.431 ( 0.378 -1.620 0.981) 1.931 1.456 ( 0.024 4.210 0.135) 4.212 1.476 ( -0.332 -1.492 -0.890) 1.769 1.483 ( -0.382 1.598 -1.789) 2.429 1.766 ( 0.355 5.552 7.469) 9.313 1.849 ( -2.572 9.010 1.513) 9.492 1.941 ( 0.209 11.040 -2.378) 11.295 2.028 ( -1.351 5.029 -3.989) 6.559 2.229 ( 4.868 7.788 0.792) 9.218 2.257 ( 0.758 4.530 2.490) 5.225 2.279 ( 7.990 8.182 -0.457) 11.445 2.387 ( 0.923 5.290 -2.534) 5.938 2.572 ( 10.873 5.660 1.599) 12.362 2.620 ( 12.413 4.927 -0.646) 13.371 2.923 ( 0.141 0.377 0.931) 1.015 2.940 ( -0.970 -0.016 0.215) 0.994 3.024 ( -1.675 -0.325 0.383) 1.749 3.061 ( -1.671 -0.827 -1.277) 2.260 3.146 ( -0.149 0.447 0.365) 0.596 3.164 ( -0.450 1.174 -0.274) 1.287 3.208 ( 0.803 3.064 0.766) 3.259 3.222 ( 0.995 3.171 0.073) 3.325 3.251 ( -0.515 0.798 0.109) 0.956 3.272 ( -0.157 -0.978 -0.765) 1.252 3.677 ( 7.604 -6.621 0.666) 10.105 3.705 ( 6.774 -7.583 -0.469) 10.179 4.150 ( 0.838 22.506 1.658) 22.582 4.224 ( 1.301 22.908 -1.199) 22.977 4.241 ( -1.351 23.586 1.422) 23.667 4.313 ( -0.026 26.119 -1.375) 26.155 4.798 ( -16.137 -2.302 0.570) 16.310 4.828 ( -15.853 -1.394 -0.623) 15.927 6.103 ( 1.416 5.302 1.496) 5.688 6.137 ( 0.464 -1.470 6.586) 6.764 6.180 ( -0.461 2.107 -1.996) 2.939 6.286 ( -1.208 -0.309 1.908) 2.280 6.355 ( -2.339 1.535 -0.848) 2.924 6.405 ( -4.757 2.924 2.976) 6.327 6.474 ( 2.743 -2.149 -2.006) 4.021 6.569 ( -0.362 2.249 -2.715) 3.544 6.606 ( -0.137 -3.877 -3.318) 5.105 6.702 ( -0.909 1.517 -7.052) 7.270 6.769 ( 1.999 -0.433 3.190) 3.789 6.837 ( 0.737 2.755 0.060) 2.852 6.873 ( 3.726 -0.985 -1.971) 4.329 6.965 ( -0.803 -2.402 -2.449) 3.523 7.024 ( -1.553 1.224 0.461) 2.030 7.052 ( -2.859 0.689 -0.029) 2.942 7.182 ( 2.880 5.435 1.045) 6.239 7.251 ( 3.636 3.503 -2.153) 5.489 7.416 ( -2.557 1.658 1.833) 3.556 7.442 ( 0.328 2.531 0.165) 2.557 7.543 ( 0.824 1.317 0.891) 1.791 7.575 ( 1.239 0.805 0.213) 1.493 7.665 ( -2.176 4.629 2.477) 5.683 7.815 ( 0.971 -2.017 3.591) 4.231 7.852 ( -3.318 5.988 -2.020) 7.138 7.924 ( -0.121 1.391 1.045) 1.744 8.005 ( 0.603 -2.415 -2.199) 3.321 8.062 ( 2.368 0.922 -3.124) 4.027 8.178 ( 3.664 0.505 -2.215) 4.311 8.207 ( 5.635 1.781 -0.790) 5.962 8.349 ( 0.216 -3.650 0.724) 3.728 8.372 ( 1.870 -4.542 -0.680) 4.959 8.474 ( -0.419 -0.376 3.312) 3.360 8.513 ( 0.235 -1.413 2.097) 2.540 8.713 ( -0.131 -2.355 0.505) 2.412 8.737 ( -1.019 -1.960 -0.464) 2.257 ======================= Grid point 87 (36/63) ======================= q-point: ( 0.40 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 0.144 -0.801 0.028) 0.814 0.994 ( 0.074 -0.572 0.015) 0.577 1.162 ( 0.916 -1.302 0.296) 1.619 1.184 ( -1.176 -2.325 -0.555) 2.664 1.444 ( 0.913 -1.761 0.429) 2.030 1.459 ( 0.269 1.541 -0.172) 1.574 1.465 ( -0.896 -1.025 -0.774) 1.566 1.469 ( -0.692 0.188 -0.405) 0.824 1.783 ( 1.341 8.322 4.861) 9.730 1.812 ( -1.520 8.747 2.871) 9.331 1.958 ( 1.387 8.782 -3.380) 9.512 1.992 ( -1.985 6.269 -3.978) 7.685 2.265 ( 0.622 5.042 2.776) 5.789 2.273 ( 0.114 4.926 2.880) 5.708 2.368 ( 2.292 5.385 -1.390) 6.015 2.394 ( -0.457 4.673 -1.864) 5.052 2.821 ( 8.933 4.923 0.702) 10.224 2.876 ( 6.190 3.981 -1.762) 7.567 2.919 ( 0.625 3.158 0.648) 3.284 2.938 ( 0.853 1.531 -0.013) 1.753 3.029 ( 3.171 -1.331 0.331) 3.455 3.042 ( 1.955 -2.065 -0.347) 2.865 3.117 ( -3.192 -0.769 0.575) 3.334 3.124 ( -3.733 -1.301 0.068) 3.954 3.230 ( 1.010 2.926 0.358) 3.116 3.242 ( -0.133 1.970 0.203) 1.985 3.246 ( 1.017 2.976 -0.207) 3.152 3.266 ( -0.641 1.365 -0.618) 1.630 3.930 ( 18.662 -4.752 0.644) 19.268 3.956 ( 18.994 -4.649 -0.452) 19.560 4.173 ( 1.469 22.586 2.048) 22.726 4.205 ( -1.820 22.801 1.969) 22.959 4.262 ( 1.441 23.085 -1.496) 23.178 4.300 ( -1.792 24.581 -1.910) 24.720 4.381 ( -23.719 -2.015 0.778) 23.817 4.418 ( -23.392 -0.891 -0.750) 23.421 6.137 ( 1.738 2.931 0.738) 3.486 6.162 ( 0.624 0.389 1.285) 1.481 6.169 ( 0.904 -0.837 3.076) 3.314 6.236 ( -3.933 -2.001 2.434) 5.039 6.321 ( -0.201 4.974 1.535) 5.209 6.340 ( -1.890 3.390 1.428) 4.136 6.526 ( 1.939 0.317 -3.954) 4.415 6.547 ( -0.867 2.090 -4.620) 5.145 6.623 ( 1.445 -2.562 -1.019) 3.113 6.666 ( -2.559 -0.186 -1.857) 3.168 6.803 ( 2.660 -2.537 -1.592) 4.005 6.860 ( -1.450 -0.742 -2.420) 2.917 6.919 ( 1.811 1.317 -0.813) 2.382 6.949 ( -0.627 0.629 -1.365) 1.628 6.999 ( -0.466 1.031 1.146) 1.610 7.010 ( -1.228 0.939 -0.367) 1.589 7.252 ( 3.640 4.100 1.670) 5.731 7.302 ( -0.112 2.600 -0.256) 2.615 7.388 ( 1.001 3.901 0.640) 4.078 7.434 ( -1.778 3.381 -1.609) 4.145 7.530 ( -0.016 2.498 3.824) 4.568 7.560 ( -2.453 1.724 4.556) 5.454 7.691 ( 3.472 2.814 -3.047) 5.409 7.768 ( -4.296 4.278 -3.495) 6.998 7.852 ( 2.433 0.017 3.987) 4.670 7.898 ( -1.998 1.207 2.579) 3.478 8.061 ( 2.757 -0.936 -3.909) 4.874 8.086 ( 0.116 0.624 -4.867) 4.908 8.258 ( 3.927 0.176 1.442) 4.187 8.293 ( 3.503 0.965 0.188) 3.639 8.330 ( -2.468 -2.089 1.792) 3.697 8.365 ( -2.903 -1.198 0.109) 3.142 8.542 ( 6.924 -2.266 1.293) 7.400 8.574 ( 5.802 -3.298 0.174) 6.676 8.672 ( -4.833 -2.539 0.302) 5.468 8.684 ( -4.315 -3.132 -0.172) 5.335 ======================= Grid point 90 (37/63) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 0.000 -2.053 0.482) 2.109 0.960 ( 0.000 -1.071 -0.963) 1.440 1.113 ( 0.000 -5.364 0.433) 5.382 1.120 ( 0.000 -2.870 0.062) 2.871 1.397 ( 0.000 -1.042 0.622) 1.213 1.437 ( 0.000 -2.181 -1.081) 2.434 1.464 ( 0.000 -3.320 1.419) 3.611 1.496 ( 0.000 -0.992 -0.066) 0.994 1.896 ( 0.000 7.106 1.532) 7.269 2.070 ( 0.000 0.652 -5.668) 5.705 2.072 ( 0.000 8.795 3.532) 9.477 2.175 ( 0.000 8.866 -0.461) 8.878 2.291 ( 0.000 6.918 1.053) 6.997 2.347 ( 0.000 4.928 2.815) 5.676 2.353 ( 0.000 8.292 -1.199) 8.378 2.464 ( 0.000 2.701 -2.790) 3.883 2.542 ( 0.000 0.210 0.315) 0.379 2.548 ( 0.000 1.562 0.446) 1.625 2.862 ( 0.000 -5.042 2.202) 5.502 2.888 ( 0.000 -5.661 0.952) 5.741 3.020 ( 0.000 -0.023 0.539) 0.540 3.040 ( 0.000 -0.045 -0.281) 0.284 3.153 ( 0.000 0.331 0.415) 0.531 3.187 ( 0.000 0.167 -0.927) 0.942 3.261 ( 0.000 1.087 0.306) 1.130 3.286 ( 0.000 1.645 -0.596) 1.749 3.308 ( 0.000 5.186 0.114) 5.187 3.308 ( 0.000 4.335 0.102) 4.336 3.455 ( 0.000 -7.467 0.580) 7.489 3.481 ( 0.000 -8.398 -0.467) 8.411 4.551 ( 0.000 17.800 1.229) 17.842 4.611 ( 0.000 16.468 -1.229) 16.514 4.646 ( 0.000 15.018 1.284) 15.072 4.736 ( 0.000 14.442 -2.579) 14.671 4.934 ( 0.000 -0.403 1.252) 1.315 4.973 ( 0.000 -0.302 -0.084) 0.314 6.088 ( 0.000 -2.020 5.727) 6.073 6.169 ( 0.000 -3.803 0.699) 3.867 6.213 ( 0.000 5.346 0.282) 5.353 6.325 ( 0.000 2.516 -1.657) 3.012 6.408 ( 0.000 1.813 0.195) 1.824 6.411 ( 0.000 -0.047 0.665) 0.667 6.507 ( 0.000 0.395 -1.821) 1.863 6.556 ( 0.000 1.848 0.901) 2.056 6.598 ( 0.000 0.213 -4.348) 4.354 6.696 ( 0.000 -2.532 -5.835) 6.361 6.770 ( 0.000 0.793 1.205) 1.443 6.807 ( 0.000 1.474 -1.601) 2.176 6.911 ( 0.000 2.848 1.367) 3.159 6.917 ( 0.000 -1.166 -1.485) 1.888 7.061 ( 0.000 0.480 1.245) 1.334 7.078 ( 0.000 -0.605 0.639) 0.880 7.260 ( 0.000 4.827 0.751) 4.885 7.305 ( 0.000 4.518 -3.176) 5.522 7.454 ( 0.000 -0.717 0.244) 0.757 7.472 ( 0.000 0.925 -0.196) 0.946 7.526 ( 0.000 2.974 2.591) 3.945 7.619 ( 0.000 1.374 -1.972) 2.403 7.739 ( 0.000 -3.473 5.581) 6.573 7.740 ( 0.000 -1.382 6.441) 6.587 7.879 ( 0.000 0.434 1.289) 1.360 7.936 ( 0.000 -1.836 -3.127) 3.626 8.015 ( 0.000 -0.031 -2.751) 2.751 8.033 ( 0.000 0.560 1.216) 1.338 8.167 ( 0.000 0.677 -8.500) 8.527 8.217 ( 0.000 4.495 -4.988) 6.715 8.273 ( 0.000 -2.876 0.727) 2.966 8.304 ( 0.000 -0.664 -0.086) 0.669 8.492 ( 0.000 0.795 3.560) 3.648 8.497 ( 0.000 -0.576 4.458) 4.495 8.678 ( 0.000 -0.989 0.887) 1.329 8.711 ( 0.000 -1.502 -0.496) 1.581 ======================= Grid point 91 (38/63) ======================= q-point: ( 0.20 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 1.265 -1.672 0.444) 2.143 0.969 ( 0.750 -0.991 -0.762) 1.457 1.112 ( -0.128 -4.792 0.175) 4.797 1.117 ( -0.271 -3.259 0.051) 3.271 1.398 ( 0.175 -1.216 0.623) 1.377 1.438 ( -0.030 -2.192 -0.988) 2.404 1.452 ( -0.940 -3.006 1.171) 3.360 1.486 ( -0.972 -1.105 -0.210) 1.487 1.910 ( 1.369 6.960 1.529) 7.256 2.025 ( -2.502 8.854 3.234) 9.753 2.074 ( 0.184 1.823 -4.710) 5.054 2.150 ( -1.945 7.996 -1.426) 8.352 2.341 ( 1.138 4.322 2.717) 5.230 2.361 ( 1.356 5.333 1.711) 5.762 2.419 ( 3.110 5.150 -1.161) 6.127 2.471 ( 0.381 2.786 -2.501) 3.763 2.647 ( 10.854 0.476 1.096) 10.920 2.681 ( 12.253 0.149 -0.461) 12.263 2.860 ( -0.214 -5.477 1.717) 5.744 2.885 ( -0.000 -5.119 0.618) 5.156 3.005 ( -0.045 1.643 0.989) 1.918 3.052 ( 0.650 2.338 -0.913) 2.592 3.153 ( -0.263 0.753 0.529) 0.957 3.182 ( -0.838 0.769 -0.751) 1.363 3.264 ( 0.342 1.045 0.194) 1.117 3.281 ( -0.180 1.301 -0.415) 1.377 3.294 ( -0.371 3.120 0.636) 3.205 3.322 ( 0.220 4.446 -0.516) 4.482 3.539 ( 9.050 -6.632 0.434) 11.228 3.549 ( 8.249 -7.654 -0.040) 11.253 4.560 ( 0.852 17.716 1.437) 17.794 4.613 ( -1.276 14.378 -0.256) 14.437 4.641 ( 0.013 15.652 0.024) 15.652 4.717 ( -3.656 11.039 -3.236) 12.071 4.777 ( -14.524 1.174 1.516) 14.650 4.825 ( -12.440 3.360 0.158) 12.887 6.096 ( 0.963 -1.570 5.293) 5.604 6.170 ( 0.179 -2.565 0.810) 2.696 6.206 ( -0.600 4.478 0.385) 4.534 6.293 ( -3.159 1.471 -0.550) 3.528 6.404 ( 0.037 2.661 1.136) 2.894 6.439 ( 1.778 0.152 0.018) 1.784 6.486 ( -1.577 4.114 1.685) 4.717 6.550 ( 0.826 -0.956 -4.209) 4.395 6.605 ( 0.339 0.761 -4.875) 4.946 6.699 ( -0.536 -1.860 -5.587) 5.913 6.755 ( -1.140 -0.131 4.628) 4.768 6.859 ( 1.652 -1.217 0.146) 2.057 6.881 ( 0.625 1.811 -1.593) 2.491 6.925 ( 0.108 -0.116 -2.910) 2.914 7.046 ( -1.201 0.452 1.294) 1.823 7.070 ( -1.276 0.522 0.326) 1.417 7.284 ( 2.220 4.700 0.579) 5.230 7.324 ( 1.830 3.590 -2.212) 4.597 7.442 ( -0.491 0.733 1.496) 1.737 7.481 ( 0.475 1.017 -0.765) 1.358 7.566 ( 2.454 1.413 2.056) 3.499 7.604 ( -1.345 1.566 -0.453) 2.113 7.698 ( -1.383 -1.399 3.499) 4.014 7.785 ( 2.181 -0.768 4.564) 5.116 7.920 ( -3.444 -1.667 -2.371) 4.502 7.939 ( 5.269 -1.294 0.023) 5.425 7.946 ( -1.503 2.480 0.092) 2.901 8.079 ( 1.541 -0.411 -2.282) 2.784 8.193 ( 2.971 0.682 -4.708) 5.609 8.271 ( 2.934 3.282 -1.251) 4.577 8.290 ( 2.882 -3.538 -2.268) 5.096 8.310 ( 0.683 -0.238 -0.537) 0.901 8.485 ( -0.405 0.923 3.532) 3.673 8.493 ( 0.033 -0.514 3.802) 3.837 8.678 ( -0.521 -1.138 0.620) 1.396 8.703 ( -1.290 -1.472 -0.398) 1.997 ======================= Grid point 92 (39/63) ======================= q-point: ( 0.40 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 1.229 -0.950 0.280) 1.579 0.980 ( 0.069 -0.734 -0.211) 0.767 1.109 ( -0.068 -3.919 -0.145) 3.922 1.112 ( -0.251 -4.061 -0.156) 4.071 1.406 ( 0.682 -1.691 0.620) 1.926 1.425 ( -1.124 -2.326 0.559) 2.643 1.447 ( 0.478 -1.964 -0.521) 2.088 1.464 ( -1.108 -1.464 -0.464) 1.894 1.945 ( 2.034 7.433 1.892) 7.935 1.984 ( -1.892 8.444 2.726) 9.073 2.084 ( 0.943 3.545 -3.637) 5.165 2.112 ( -1.786 5.945 -2.429) 6.666 2.356 ( 0.706 4.277 2.934) 5.234 2.368 ( -0.359 4.379 2.396) 5.005 2.454 ( 1.095 2.993 -1.337) 3.456 2.470 ( -0.485 2.590 -1.740) 3.157 2.821 ( 3.891 -5.032 0.860) 6.419 2.850 ( -0.206 -5.472 0.860) 5.543 2.870 ( 4.076 -6.251 -0.757) 7.501 2.893 ( 0.480 -5.509 -0.545) 5.557 3.060 ( 4.789 4.998 0.591) 6.947 3.081 ( 2.771 6.241 -0.224) 6.832 3.132 ( -2.111 2.848 0.542) 3.586 3.145 ( -2.816 2.741 -0.274) 3.939 3.273 ( 0.565 1.186 0.302) 1.348 3.282 ( -0.182 1.280 0.258) 1.319 3.296 ( 0.803 1.222 0.005) 1.462 3.315 ( -0.840 2.258 -0.471) 2.455 3.840 ( 22.122 -3.650 0.716) 22.433 3.867 ( 22.809 -3.935 -0.348) 23.149 4.333 ( -24.851 -1.282 0.494) 24.889 4.362 ( -24.695 -1.559 -0.621) 24.752 4.584 ( 1.368 17.455 1.696) 17.591 4.615 ( -1.927 16.688 2.269) 16.952 4.686 ( 1.977 16.046 -2.360) 16.338 4.726 ( -1.892 15.659 -2.079) 15.909 6.134 ( 2.916 -0.698 4.001) 5.000 6.178 ( 0.498 0.196 0.864) 1.016 6.191 ( -1.036 1.825 1.156) 2.396 6.216 ( -3.876 0.651 1.468) 4.196 6.410 ( 0.608 3.954 1.301) 4.207 6.430 ( -1.364 4.893 1.182) 5.216 6.520 ( 3.204 0.342 -0.575) 3.273 6.556 ( -0.308 0.698 -4.731) 4.792 6.621 ( 0.989 0.616 -1.864) 2.198 6.673 ( -3.616 0.191 -1.345) 3.863 6.734 ( 2.826 -3.740 -1.480) 4.916 6.820 ( -4.432 -2.977 -1.986) 5.696 6.936 ( 3.505 0.994 -0.594) 3.691 6.961 ( 2.032 0.550 -1.940) 2.862 7.015 ( -1.608 0.337 0.631) 1.760 7.031 ( -2.290 0.642 -0.158) 2.384 7.332 ( 2.239 3.909 0.762) 4.569 7.356 ( 0.358 2.920 -0.228) 2.951 7.448 ( 1.614 1.872 0.485) 2.519 7.483 ( -0.761 1.227 -1.264) 1.918 7.573 ( -0.957 0.217 3.383) 3.522 7.574 ( -1.349 2.404 1.766) 3.274 7.716 ( 3.147 -1.126 -1.384) 3.618 7.791 ( -3.376 -1.905 -2.338) 4.527 7.879 ( 1.734 2.553 3.791) 4.888 7.921 ( -1.733 2.289 2.619) 3.886 8.043 ( 3.899 -1.316 -2.902) 5.035 8.087 ( -0.746 -1.095 -3.996) 4.210 8.268 ( 3.514 0.654 0.835) 3.671 8.309 ( 0.284 0.563 0.751) 0.980 8.316 ( 1.405 0.057 0.323) 1.443 8.350 ( 0.032 -0.224 -1.970) 1.983 8.520 ( 5.102 -0.182 1.524) 5.328 8.531 ( 4.481 -1.160 1.285) 4.804 8.632 ( -4.443 -1.404 0.306) 4.670 8.640 ( -5.146 -1.360 -0.076) 5.323 ======================= Grid point 95 (40/63) ======================= q-point: ( 0.00 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 0.000 1.506 0.424) 1.564 0.954 ( 0.000 -0.106 -1.320) 1.324 1.018 ( 0.000 -2.883 1.537) 3.267 1.047 ( 0.000 -3.867 -0.063) 3.867 1.398 ( 0.000 1.252 -0.206) 1.269 1.402 ( 0.000 -1.004 -0.408) 1.083 1.409 ( 0.000 -1.589 0.922) 1.837 1.447 ( 0.000 -3.136 -0.566) 3.186 1.999 ( 0.000 3.585 -4.091) 5.439 2.053 ( 0.000 -1.922 -5.978) 6.279 2.245 ( 0.000 7.217 5.716) 9.206 2.300 ( 0.000 2.333 3.031) 3.825 2.406 ( 0.000 4.858 0.680) 4.906 2.448 ( 0.000 4.965 1.753) 5.266 2.462 ( 0.000 3.215 -1.072) 3.389 2.475 ( 0.000 -1.704 -1.198) 2.083 2.517 ( 0.000 -1.987 0.281) 2.007 2.534 ( 0.000 -2.510 0.665) 2.597 2.759 ( 0.000 -3.893 0.637) 3.945 2.768 ( 0.000 -4.805 0.201) 4.809 3.083 ( 0.000 5.038 0.375) 5.052 3.100 ( 0.000 4.534 -0.261) 4.542 3.165 ( 0.000 0.926 0.175) 0.942 3.178 ( 0.000 -0.489 -0.486) 0.690 3.280 ( 0.000 -3.493 0.474) 3.525 3.300 ( 0.000 -2.543 -0.605) 2.614 3.302 ( 0.000 -0.570 0.825) 1.002 3.321 ( 0.000 -4.493 0.361) 4.508 3.384 ( 0.000 1.848 -0.529) 1.922 3.391 ( 0.000 0.937 -0.664) 1.149 4.815 ( 0.000 7.908 0.538) 7.926 4.828 ( 0.000 5.374 -1.468) 5.571 4.848 ( 0.000 4.829 -0.783) 4.892 4.871 ( 0.000 0.851 -3.400) 3.505 4.952 ( 0.000 2.112 1.971) 2.889 4.981 ( 0.000 0.076 1.019) 1.021 6.072 ( 0.000 0.437 4.057) 4.081 6.101 ( 0.000 -2.505 2.294) 3.396 6.305 ( 0.000 3.876 -0.640) 3.929 6.352 ( 0.000 -0.480 -1.051) 1.155 6.418 ( 0.000 0.945 0.294) 0.990 6.434 ( 0.000 0.008 0.517) 0.517 6.532 ( 0.000 2.649 -2.429) 3.594 6.590 ( 0.000 -2.054 -4.820) 5.239 6.612 ( 0.000 2.943 1.251) 3.198 6.652 ( 0.000 -1.474 -0.564) 1.578 6.791 ( 0.000 1.297 0.976) 1.623 6.816 ( 0.000 -0.767 1.825) 1.980 6.925 ( 0.000 1.461 -2.750) 3.114 6.944 ( 0.000 0.183 -0.770) 0.791 7.060 ( 0.000 -0.190 1.201) 1.216 7.063 ( 0.000 -0.585 0.862) 1.041 7.345 ( 0.000 3.544 0.272) 3.555 7.376 ( 0.000 1.745 -1.353) 2.208 7.439 ( 0.000 -0.147 -0.722) 0.736 7.468 ( 0.000 -1.453 -1.102) 1.824 7.590 ( 0.000 3.344 2.193) 3.999 7.637 ( 0.000 0.291 -0.326) 0.437 7.672 ( 0.000 -2.707 6.223) 6.786 7.688 ( 0.000 -2.761 6.113) 6.708 7.897 ( 0.000 1.034 0.848) 1.337 7.911 ( 0.000 -0.667 -2.348) 2.441 8.015 ( 0.000 0.336 -3.860) 3.875 8.032 ( 0.000 -0.890 -1.220) 1.510 8.174 ( 0.000 0.533 -5.789) 5.813 8.201 ( 0.000 -2.230 -3.313) 3.993 8.296 ( 0.000 1.580 -1.757) 2.362 8.306 ( 0.000 0.270 -1.149) 1.180 8.497 ( 0.000 0.415 4.264) 4.284 8.503 ( 0.000 0.092 3.531) 3.532 8.670 ( 0.000 0.205 0.570) 0.606 8.684 ( 0.000 -1.112 -0.014) 1.112 ======================= Grid point 96 (41/63) ======================= q-point: ( 0.20 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 1.499 1.391 0.284) 2.065 0.965 ( 0.951 0.176 -1.156) 1.507 1.022 ( 0.291 -2.989 1.210) 3.238 1.045 ( -0.221 -3.609 -0.076) 3.617 1.394 ( -0.312 0.893 -0.091) 0.950 1.400 ( -0.349 -1.163 0.076) 1.217 1.404 ( -0.241 -1.314 0.420) 1.401 1.438 ( -0.828 -2.918 -0.529) 3.079 2.015 ( 1.778 3.834 -2.939) 5.148 2.067 ( 1.525 -1.375 -4.801) 5.221 2.202 ( -3.012 6.907 4.271) 8.661 2.259 ( -3.232 1.799 1.713) 4.076 2.426 ( 0.566 3.995 1.294) 4.237 2.451 ( -0.046 3.692 1.256) 3.900 2.472 ( 0.248 0.006 -0.549) 0.602 2.496 ( 0.196 -0.272 -0.945) 1.003 2.616 ( 8.395 -1.311 0.866) 8.541 2.639 ( 8.412 -2.945 0.119) 8.913 2.756 ( -0.145 -3.417 0.549) 3.464 2.773 ( 0.368 -4.708 -0.061) 4.723 3.110 ( 3.305 7.148 0.733) 7.909 3.156 ( 3.815 5.135 -1.213) 6.511 3.175 ( 1.299 1.752 0.252) 2.196 3.189 ( 1.071 1.067 -0.274) 1.537 3.273 ( -0.402 -4.314 0.727) 4.393 3.288 ( -0.340 0.481 -0.185) 0.618 3.304 ( -0.515 -0.022 0.174) 0.544 3.332 ( -0.129 -4.893 -0.695) 4.943 3.447 ( 9.313 -0.778 0.352) 9.352 3.456 ( 8.368 -1.327 -0.000) 8.472 4.733 ( -13.532 1.284 -1.025) 13.631 4.750 ( -14.317 -0.449 -1.392) 14.392 4.825 ( 0.692 7.975 0.339) 8.012 4.861 ( 1.009 4.416 -1.127) 4.668 4.883 ( -2.655 6.094 1.607) 6.839 4.931 ( -1.969 1.903 -0.425) 2.771 6.090 ( 1.872 0.868 3.799) 4.324 6.120 ( 1.841 -2.062 2.149) 3.501 6.285 ( -1.980 3.230 -0.179) 3.793 6.317 ( -3.308 0.197 -0.388) 3.336 6.443 ( 2.017 1.302 1.239) 2.702 6.454 ( 2.189 0.460 0.389) 2.270 6.547 ( 1.521 1.950 -3.020) 3.904 6.581 ( -1.735 2.985 -0.754) 3.534 6.596 ( 0.419 -1.066 -2.522) 2.769 6.651 ( -1.165 -2.741 -0.980) 3.135 6.774 ( -1.960 1.908 2.998) 4.059 6.819 ( -1.249 -2.349 1.623) 3.117 6.916 ( 0.709 1.430 -3.466) 3.816 6.932 ( -0.327 -0.028 -2.705) 2.724 7.052 ( -0.852 0.411 0.940) 1.333 7.065 ( -0.660 -0.752 0.671) 1.205 7.366 ( 1.930 3.344 0.208) 3.867 7.389 ( 1.229 2.177 -1.164) 2.758 7.442 ( 0.378 -0.158 0.146) 0.435 7.472 ( 0.308 -1.848 -1.009) 2.129 7.595 ( -0.103 1.684 2.556) 3.063 7.633 ( 0.233 -1.109 1.049) 1.544 7.670 ( 0.158 1.910 2.992) 3.553 7.741 ( 2.036 -3.745 1.752) 4.609 7.900 ( 0.257 0.591 1.100) 1.275 7.920 ( 2.831 -1.049 0.078) 3.020 8.000 ( -0.556 2.553 -1.311) 2.923 8.049 ( 0.551 -2.215 -1.749) 2.876 8.204 ( 3.083 0.622 -4.311) 5.337 8.230 ( 2.848 -2.178 -2.517) 4.380 8.316 ( 1.417 1.078 -1.873) 2.584 8.321 ( 1.632 0.570 -2.264) 2.848 8.492 ( -0.169 0.343 3.996) 4.015 8.497 ( -0.299 0.109 3.448) 3.462 8.668 ( -0.774 0.058 0.367) 0.859 8.679 ( -1.065 -0.928 -0.068) 1.414 ======================= Grid point 97 (42/63) ======================= q-point: ( 0.40 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 1.473 1.303 0.138) 1.971 0.982 ( 0.390 1.091 -0.415) 1.231 1.027 ( 0.285 -3.492 0.261) 3.513 1.037 ( -0.600 -3.400 -0.194) 3.458 1.389 ( -0.113 0.237 0.245) 0.359 1.391 ( -0.341 -0.571 0.534) 0.853 1.405 ( 0.383 -1.797 -0.246) 1.853 1.419 ( -0.958 -2.399 -0.407) 2.615 2.067 ( 3.253 4.556 -0.627) 5.633 2.111 ( 2.353 1.003 -1.925) 3.201 2.140 ( -2.682 4.541 1.390) 5.454 2.187 ( -3.832 0.959 -0.219) 3.956 2.435 ( 0.483 3.502 1.600) 3.881 2.445 ( -0.471 3.290 1.462) 3.631 2.479 ( 0.458 -0.552 -0.330) 0.789 2.490 ( -0.546 -0.735 -0.362) 0.985 2.729 ( 2.675 -2.457 0.442) 3.659 2.749 ( 1.861 -3.935 -0.025) 4.353 2.754 ( 0.590 -3.187 0.101) 3.242 2.776 ( -0.253 -4.717 -0.469) 4.747 3.174 ( 2.208 5.022 0.220) 5.491 3.189 ( 1.131 2.410 -0.334) 2.683 3.196 ( -0.063 2.094 -0.205) 2.105 3.209 ( -0.341 4.860 -0.683) 4.920 3.277 ( 0.635 -1.462 0.501) 1.671 3.286 ( -0.128 0.237 0.161) 0.314 3.297 ( 0.248 -0.891 0.213) 0.949 3.315 ( -1.185 -2.139 -0.374) 2.474 3.796 ( 24.986 -0.730 0.478) 25.001 3.808 ( 25.190 -1.863 -0.008) 25.258 4.322 ( -25.780 0.140 0.113) 25.781 4.335 ( -25.777 -1.084 -0.389) 25.803 4.841 ( 0.868 7.942 0.511) 8.006 4.857 ( -0.806 7.495 0.636) 7.565 4.886 ( 1.270 3.743 -1.249) 4.146 4.908 ( -0.938 2.815 -1.318) 3.247 6.146 ( 3.760 1.494 2.883) 4.968 6.171 ( 3.169 -0.765 1.646) 3.652 6.228 ( -3.922 1.798 1.215) 4.482 6.240 ( -3.858 0.747 0.834) 4.017 6.481 ( 2.088 3.138 1.520) 4.064 6.515 ( 1.922 1.815 0.340) 2.665 6.536 ( -0.740 1.999 0.943) 2.331 6.582 ( -0.768 0.566 -2.148) 2.350 6.614 ( 1.487 -0.579 -1.188) 1.990 6.653 ( 3.838 -3.155 -3.171) 5.894 6.698 ( -4.696 1.739 0.845) 5.078 6.754 ( -4.890 -3.375 -0.996) 6.025 6.957 ( 2.989 0.840 -1.484) 3.442 6.965 ( 2.957 -0.050 -1.938) 3.535 7.019 ( -2.398 0.276 0.073) 2.415 7.030 ( -2.713 -0.583 -0.174) 2.780 7.404 ( 1.500 3.157 0.280) 3.507 7.415 ( 0.740 2.827 -0.359) 2.944 7.454 ( 1.016 -1.049 0.668) 1.606 7.473 ( -0.413 -1.986 -0.323) 2.054 7.597 ( 0.943 2.485 1.656) 3.131 7.637 ( -2.419 3.826 -0.402) 4.544 7.662 ( 2.258 -3.453 0.662) 4.178 7.723 ( -3.093 -4.339 -1.272) 5.478 7.939 ( 2.916 3.303 2.297) 4.969 7.983 ( -1.456 3.350 0.886) 3.759 8.001 ( 3.680 -2.786 -0.100) 4.617 8.045 ( -1.013 -2.768 -1.254) 3.203 8.283 ( 3.955 0.848 -0.778) 4.119 8.302 ( 3.734 -1.047 -0.710) 3.942 8.330 ( -0.515 1.209 -0.930) 1.610 8.347 ( -0.217 -0.446 -2.078) 2.136 8.519 ( 3.767 0.056 1.767) 4.161 8.522 ( 3.754 -0.118 1.639) 4.098 8.617 ( -4.532 -0.177 0.231) 4.541 8.622 ( -4.761 -0.596 0.000) 4.798 ======================= Grid point 130 (43/63) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 0.000 0.000 -13.870) 13.870 0.721 ( 0.000 0.000 13.870) 13.870 0.768 ( 0.000 0.000 -9.786) 9.786 0.768 ( 0.000 0.000 9.786) 9.786 0.859 ( 0.000 0.000 -0.118) 0.118 0.859 ( 0.000 0.000 0.118) 0.118 1.284 ( 0.000 0.000 -15.896) 15.896 1.284 ( 0.000 0.000 15.896) 15.896 1.450 ( 0.000 0.000 -6.237) 6.237 1.450 ( 0.000 0.000 6.237) 6.237 1.532 ( 0.000 0.000 -11.233) 11.233 1.532 ( 0.000 0.000 11.233) 11.233 1.536 ( 0.000 0.000 -11.544) 11.544 1.536 ( 0.000 0.000 11.544) 11.544 1.667 ( 0.000 0.000 -6.634) 6.634 1.667 ( 0.000 0.000 6.634) 6.634 2.362 ( 0.000 0.000 -2.009) 2.009 2.362 ( 0.000 0.000 2.009) 2.009 2.604 ( 0.000 0.000 -8.871) 8.871 2.604 ( 0.000 0.000 8.871) 8.871 2.688 ( 0.000 0.000 -1.386) 1.386 2.688 ( 0.000 0.000 1.386) 1.386 2.772 ( 0.000 0.000 -0.508) 0.508 2.772 ( 0.000 0.000 0.508) 0.508 3.020 ( 0.000 0.000 -0.393) 0.393 3.020 ( 0.000 0.000 0.393) 0.393 3.166 ( 0.000 0.000 -7.438) 7.438 3.166 ( 0.000 0.000 7.438) 7.438 3.385 ( 0.000 0.000 -0.442) 0.442 3.385 ( 0.000 0.000 0.442) 0.442 3.638 ( 0.000 0.000 -4.554) 4.554 3.638 ( 0.000 0.000 4.554) 4.554 3.907 ( 0.000 0.000 -2.126) 2.126 3.907 ( 0.000 0.000 2.126) 2.126 5.167 ( 0.000 0.000 -3.596) 3.596 5.167 ( 0.000 0.000 3.596) 3.596 5.794 ( 0.000 0.000 -4.693) 4.693 5.794 ( 0.000 0.000 4.693) 4.693 5.936 ( 0.000 0.000 -3.962) 3.962 5.936 ( 0.000 0.000 3.962) 3.962 6.024 ( 0.000 0.000 -3.367) 3.367 6.024 ( 0.000 0.000 3.367) 3.367 6.297 ( 0.000 0.000 -1.879) 1.879 6.297 ( 0.000 0.000 1.879) 1.879 6.505 ( 0.000 0.000 -2.469) 2.469 6.505 ( 0.000 0.000 2.469) 2.469 6.540 ( 0.000 0.000 -0.027) 0.027 6.540 ( 0.000 0.000 0.027) 0.027 6.767 ( 0.000 0.000 -1.264) 1.264 6.767 ( 0.000 0.000 1.264) 1.264 6.856 ( 0.000 0.000 -5.573) 5.573 6.856 ( 0.000 0.000 5.573) 5.573 6.977 ( 0.000 0.000 -4.789) 4.789 6.977 ( 0.000 0.000 4.789) 4.789 7.044 ( 0.000 0.000 -12.002) 12.002 7.044 ( 0.000 0.000 12.002) 12.002 7.442 ( 0.000 0.000 -2.497) 2.497 7.442 ( 0.000 0.000 2.497) 2.497 7.618 ( 0.000 0.000 -5.641) 5.641 7.618 ( 0.000 0.000 5.641) 5.641 8.070 ( 0.000 0.000 -2.620) 2.620 8.070 ( 0.000 0.000 2.620) 2.620 8.119 ( 0.000 0.000 -4.353) 4.353 8.119 ( 0.000 0.000 4.353) 4.353 8.377 ( 0.000 0.000 -0.010) 0.010 8.377 ( 0.000 0.000 0.010) 0.010 8.613 ( 0.000 0.000 -3.421) 3.421 8.613 ( 0.000 0.000 3.421) 3.421 8.823 ( 0.000 0.000 -1.483) 1.483 8.823 ( 0.000 0.000 1.483) 1.483 8.999 ( 0.000 0.000 -0.983) 0.983 8.999 ( 0.000 0.000 0.983) 0.983 ======================= Grid point 132 (44/63) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 2.029 0.000 -7.120) 7.403 0.793 ( 2.029 0.000 7.120) 7.403 0.819 ( 2.585 0.000 -13.570) 13.814 0.819 ( 2.585 0.000 13.570) 13.814 0.859 ( -0.041 0.000 -0.351) 0.353 0.859 ( -0.041 0.000 0.351) 0.353 1.199 ( -6.828 0.000 -3.838) 7.833 1.199 ( -6.828 0.000 3.838) 7.833 1.486 ( 5.498 0.000 -10.426) 11.787 1.486 ( 5.498 0.000 10.426) 11.787 1.612 ( 7.468 0.000 -11.017) 13.309 1.612 ( 7.468 0.000 11.017) 13.309 1.748 ( 5.995 0.000 -6.521) 8.858 1.748 ( 5.995 0.000 6.521) 8.858 1.847 ( 27.542 0.000 -4.874) 27.970 1.847 ( 27.542 0.000 4.874) 27.970 2.274 ( -8.146 0.000 -2.878) 8.639 2.274 ( -8.146 0.000 2.878) 8.639 2.581 ( -1.260 0.000 -6.188) 6.315 2.581 ( -1.260 0.000 6.188) 6.315 2.711 ( 1.813 0.000 -1.091) 2.116 2.711 ( 1.813 0.000 1.091) 2.116 2.771 ( -0.147 0.000 -0.479) 0.501 2.771 ( -0.147 0.000 0.479) 0.501 2.903 ( -8.964 0.000 -1.266) 9.053 2.903 ( -8.964 0.000 1.266) 9.053 3.204 ( 2.113 0.000 -4.684) 5.139 3.204 ( 2.113 0.000 4.684) 5.139 3.338 ( -4.137 0.000 -1.291) 4.333 3.338 ( -4.137 0.000 1.291) 4.333 3.550 ( -5.674 0.000 -0.938) 5.751 3.550 ( -5.674 0.000 0.938) 5.751 3.996 ( 7.502 0.000 -1.652) 7.682 3.996 ( 7.502 0.000 1.652) 7.682 4.996 ( -16.315 0.000 -4.082) 16.818 4.996 ( -16.315 0.000 4.082) 16.818 5.788 ( -0.554 0.000 -3.612) 3.654 5.788 ( -0.554 0.000 3.612) 3.654 5.932 ( -0.280 0.000 -3.079) 3.091 5.932 ( -0.280 0.000 3.079) 3.091 6.221 ( 15.013 0.000 -4.071) 15.555 6.221 ( 15.013 0.000 4.071) 15.555 6.319 ( 2.038 0.000 -1.900) 2.786 6.319 ( 2.038 0.000 1.900) 2.786 6.486 ( -1.813 0.000 -2.302) 2.930 6.486 ( -1.813 0.000 2.302) 2.930 6.568 ( 2.610 0.000 -2.104) 3.353 6.568 ( 2.610 0.000 2.104) 3.353 6.770 ( 0.229 0.000 -2.245) 2.257 6.770 ( 0.229 0.000 2.245) 2.257 6.868 ( 1.092 0.000 -5.360) 5.470 6.868 ( 1.092 0.000 5.360) 5.470 6.968 ( -0.883 0.000 -4.731) 4.813 6.968 ( -0.883 0.000 4.731) 4.813 7.007 ( -3.483 0.000 -9.242) 9.876 7.007 ( -3.483 0.000 9.242) 9.876 7.371 ( -5.475 0.000 -3.177) 6.330 7.371 ( -5.475 0.000 3.177) 6.330 7.593 ( -2.176 0.000 -4.847) 5.313 7.593 ( -2.176 0.000 4.847) 5.313 8.043 ( -1.185 0.000 -4.054) 4.223 8.043 ( -1.185 0.000 4.054) 4.223 8.184 ( 3.726 0.000 -1.306) 3.948 8.184 ( 3.726 0.000 1.306) 3.948 8.362 ( 0.924 0.000 -0.951) 1.326 8.362 ( 0.924 0.000 0.951) 1.326 8.706 ( 4.293 0.000 -2.813) 5.132 8.706 ( 4.293 0.000 2.813) 5.132 8.829 ( 1.051 0.000 -0.852) 1.353 8.829 ( 1.051 0.000 0.852) 1.353 8.994 ( 0.709 0.000 -2.754) 2.843 8.994 ( 0.709 0.000 2.754) 2.843 ======================= Grid point 134 (45/63) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -2.963 0.000 -7.605) 8.162 0.786 ( -2.963 0.000 7.605) 8.162 0.828 ( 1.188 0.000 -2.755) 3.000 0.828 ( 1.188 0.000 2.755) 3.000 0.856 ( -0.220 0.000 -0.689) 0.723 0.856 ( -0.220 0.000 0.689) 0.723 1.105 ( -2.236 0.000 -2.946) 3.699 1.105 ( -2.236 0.000 2.946) 3.699 1.590 ( 3.701 0.000 -3.866) 5.352 1.590 ( 3.701 0.000 3.866) 5.352 1.810 ( 11.648 0.000 -8.476) 14.406 1.810 ( 11.648 0.000 8.476) 14.406 1.823 ( 1.375 0.000 -2.592) 2.934 1.823 ( 1.375 0.000 2.592) 2.934 2.070 ( -11.654 0.000 -5.204) 12.763 2.070 ( -11.654 0.000 5.204) 12.763 2.345 ( 12.984 0.000 -1.248) 13.044 2.345 ( 12.984 0.000 1.248) 13.044 2.632 ( 5.565 0.000 -2.590) 6.139 2.632 ( 5.565 0.000 2.590) 6.139 2.743 ( 1.208 0.000 -0.701) 1.396 2.743 ( 1.208 0.000 0.701) 1.396 2.765 ( -0.480 0.000 -0.473) 0.674 2.765 ( -0.480 0.000 0.473) 0.674 2.799 ( 4.890 0.000 -4.692) 6.777 2.799 ( 4.890 0.000 4.692) 6.777 3.110 ( -12.873 0.000 -2.038) 13.033 3.110 ( -12.873 0.000 2.038) 13.033 3.313 ( 1.638 0.000 -0.730) 1.794 3.313 ( 1.638 0.000 0.730) 1.794 3.463 ( -2.795 0.000 -0.070) 2.796 3.463 ( -2.795 0.000 0.070) 2.796 4.210 ( 14.897 0.000 -3.138) 15.224 4.210 ( 14.897 0.000 3.138) 15.224 4.594 ( -21.931 0.000 -4.389) 22.366 4.594 ( -21.931 0.000 4.389) 22.366 5.777 ( -0.334 0.000 -1.275) 1.318 5.777 ( -0.334 0.000 1.275) 1.318 5.928 ( -0.153 0.000 -1.101) 1.111 5.928 ( -0.153 0.000 1.101) 1.111 6.368 ( 2.586 0.000 -1.608) 3.045 6.368 ( 2.586 0.000 1.608) 3.045 6.441 ( -2.457 0.000 -1.740) 3.011 6.441 ( -2.457 0.000 1.740) 3.011 6.459 ( 7.368 0.000 -6.494) 9.821 6.459 ( 7.368 0.000 6.494) 9.821 6.610 ( 0.294 0.000 -5.092) 5.100 6.610 ( 0.294 0.000 5.092) 5.100 6.792 ( 2.680 0.000 -1.931) 3.303 6.792 ( 2.680 0.000 1.931) 3.303 6.892 ( 1.113 0.000 -3.646) 3.812 6.892 ( 1.113 0.000 3.646) 3.812 6.924 ( -4.238 0.000 -2.430) 4.885 6.924 ( -4.238 0.000 2.430) 4.885 6.947 ( -1.002 0.000 -3.410) 3.554 6.947 ( -1.002 0.000 3.410) 3.554 7.284 ( -2.539 0.000 -0.675) 2.627 7.284 ( -2.539 0.000 0.675) 2.627 7.553 ( -1.317 0.000 -2.293) 2.644 7.553 ( -1.317 0.000 2.293) 2.644 8.030 ( -0.245 0.000 -1.568) 1.587 8.030 ( -0.245 0.000 1.568) 1.587 8.212 ( -0.106 0.000 -0.476) 0.487 8.212 ( -0.106 0.000 0.476) 0.487 8.463 ( 8.094 0.000 -1.257) 8.191 8.463 ( 8.094 0.000 1.257) 8.191 8.640 ( -7.835 0.000 -1.707) 8.019 8.640 ( -7.835 0.000 1.707) 8.019 8.910 ( 3.826 0.000 -2.728) 4.699 8.910 ( 3.826 0.000 2.728) 4.699 9.022 ( 1.037 0.000 -1.880) 2.148 9.022 ( 1.037 0.000 1.880) 2.148 ======================= Grid point 140 (46/63) ======================= q-point: ( 0.00 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 0.000 1.395 -15.906) 15.967 0.792 ( 0.000 1.395 15.906) 15.967 0.804 ( 0.000 6.649 -10.190) 12.167 0.804 ( 0.000 6.649 10.190) 12.167 1.022 ( 0.000 14.586 -0.318) 14.589 1.022 ( 0.000 14.586 0.318) 14.589 1.335 ( 0.000 6.360 -5.502) 8.410 1.335 ( 0.000 6.360 5.502) 8.410 1.377 ( 0.000 0.017 -4.769) 4.769 1.377 ( 0.000 0.017 4.769) 4.769 1.567 ( 0.000 5.617 -2.938) 6.339 1.567 ( 0.000 5.617 2.938) 6.339 1.590 ( 0.000 -2.841 -4.210) 5.079 1.590 ( 0.000 -2.841 4.210) 5.079 1.889 ( 0.000 18.545 -14.021) 23.249 1.889 ( 0.000 18.545 14.021) 23.249 2.379 ( 0.000 -0.799 -1.517) 1.714 2.379 ( 0.000 -0.799 1.517) 1.714 2.606 ( 0.000 3.744 -6.634) 7.618 2.606 ( 0.000 3.744 6.634) 7.618 2.778 ( 0.000 7.783 -0.190) 7.785 2.778 ( 0.000 7.783 0.190) 7.785 2.884 ( 0.000 9.144 -0.546) 9.160 2.884 ( 0.000 9.144 0.546) 9.160 2.978 ( 0.000 -1.417 -0.367) 1.463 2.978 ( 0.000 -1.417 0.367) 1.463 3.200 ( 0.000 3.285 -6.245) 7.057 3.200 ( 0.000 3.285 6.245) 7.057 3.346 ( 0.000 -3.193 -2.212) 3.885 3.346 ( 0.000 -3.193 2.212) 3.885 3.500 ( 0.000 -8.344 -0.290) 8.350 3.500 ( 0.000 -8.344 0.290) 8.350 3.896 ( 0.000 -1.124 -2.139) 2.416 3.896 ( 0.000 -1.124 2.139) 2.416 5.139 ( 0.000 -2.300 -3.289) 4.013 5.139 ( 0.000 -2.300 3.289) 4.013 5.960 ( 0.000 9.373 -1.889) 9.561 5.960 ( 0.000 9.373 1.889) 9.561 6.000 ( 0.000 -0.437 -2.761) 2.796 6.000 ( 0.000 -0.437 2.761) 2.796 6.081 ( 0.000 12.374 -0.251) 12.377 6.081 ( 0.000 12.374 0.251) 12.377 6.334 ( 0.000 2.862 -1.923) 3.448 6.334 ( 0.000 2.862 1.923) 3.448 6.553 ( 0.000 4.057 -1.581) 4.354 6.553 ( 0.000 4.057 1.581) 4.354 6.588 ( 0.000 4.770 -1.345) 4.956 6.588 ( 0.000 4.770 1.345) 4.956 6.767 ( 0.000 1.236 -0.401) 1.299 6.767 ( 0.000 1.236 0.401) 1.299 6.904 ( 0.000 1.036 -5.991) 6.080 6.904 ( 0.000 1.036 5.991) 6.080 6.968 ( 0.000 3.453 -4.632) 5.778 6.968 ( 0.000 3.453 4.632) 5.778 7.144 ( 0.000 7.457 -7.974) 10.917 7.144 ( 0.000 7.457 7.974) 10.917 7.472 ( 0.000 2.412 -3.142) 3.961 7.472 ( 0.000 2.412 3.142) 3.961 7.625 ( 0.000 0.563 -5.278) 5.308 7.625 ( 0.000 0.563 5.278) 5.308 8.030 ( 0.000 -4.110 -0.872) 4.201 8.030 ( 0.000 -4.110 0.872) 4.201 8.095 ( 0.000 -2.129 -3.130) 3.785 8.095 ( 0.000 -2.129 3.130) 3.785 8.351 ( 0.000 -2.748 -0.365) 2.772 8.351 ( 0.000 -2.748 0.365) 2.772 8.578 ( 0.000 -3.038 -2.752) 4.099 8.578 ( 0.000 -3.038 2.752) 4.099 8.793 ( 0.000 -3.505 -1.820) 3.949 8.793 ( 0.000 -3.505 1.820) 3.949 8.915 ( 0.000 -6.502 -0.174) 6.504 8.915 ( 0.000 -6.502 0.174) 6.504 ======================= Grid point 142 (47/63) ======================= q-point: ( 0.20 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -0.361 1.133 -9.280) 9.356 0.798 ( -0.361 1.133 9.280) 9.356 0.892 ( 4.259 5.301 -4.090) 7.935 0.892 ( 4.259 5.301 4.090) 7.935 1.019 ( -0.122 13.796 -0.241) 13.799 1.019 ( -0.122 13.796 0.241) 13.799 1.278 ( -6.633 5.802 -2.276) 9.102 1.278 ( -6.633 5.802 2.276) 9.102 1.404 ( 6.101 1.847 -5.194) 8.223 1.404 ( 6.101 1.847 5.194) 8.223 1.658 ( 4.879 -2.585 -2.870) 6.223 1.658 ( 4.879 -2.585 2.870) 6.223 1.792 ( 14.268 3.251 -1.902) 14.757 1.792 ( 14.268 3.251 1.902) 14.757 2.002 ( 15.910 15.606 -11.920) 25.274 2.002 ( 15.910 15.606 11.920) 25.274 2.326 ( -5.314 1.628 -1.294) 5.706 2.326 ( -5.314 1.628 1.294) 5.706 2.567 ( -2.042 3.103 -4.855) 6.113 2.567 ( -2.042 3.103 4.855) 6.113 2.770 ( -1.968 3.067 -1.185) 3.832 2.770 ( -1.968 3.067 1.185) 3.832 2.885 ( 0.116 9.196 -0.291) 9.201 2.885 ( 0.116 9.196 0.291) 9.201 2.926 ( -2.907 5.927 -1.013) 6.679 2.926 ( -2.907 5.927 1.013) 6.679 3.226 ( 1.313 2.224 -4.189) 4.921 3.226 ( 1.313 2.224 4.189) 4.921 3.308 ( -3.141 -2.045 -1.989) 4.243 3.308 ( -3.141 -2.045 1.989) 4.243 3.472 ( -2.461 -5.639 -0.437) 6.168 3.472 ( -2.461 -5.639 0.437) 6.168 3.973 ( 7.292 -1.874 -2.126) 7.823 3.973 ( 7.292 -1.874 2.126) 7.823 4.969 ( -16.203 -2.259 -3.631) 16.758 4.969 ( -16.203 -2.259 3.631) 16.758 5.912 ( -2.185 8.986 -0.668) 9.272 5.912 ( -2.185 8.986 0.668) 9.272 6.015 ( 0.073 5.918 -2.139) 6.293 6.015 ( 0.073 5.918 2.139) 6.293 6.205 ( 9.151 0.934 -3.318) 9.779 6.205 ( 9.151 0.934 3.318) 9.779 6.346 ( 1.173 1.910 -2.004) 3.007 6.346 ( 1.173 1.910 2.004) 3.007 6.553 ( 0.188 5.308 -1.928) 5.650 6.553 ( 0.188 5.308 1.928) 5.650 6.615 ( 2.214 4.311 -2.307) 5.367 6.615 ( 2.214 4.311 2.307) 5.367 6.772 ( 0.656 1.413 -1.593) 2.228 6.772 ( 0.656 1.413 1.593) 2.228 6.898 ( -0.574 0.169 -6.114) 6.143 6.898 ( -0.574 0.169 6.114) 6.143 6.976 ( 0.671 4.512 -3.832) 5.958 6.976 ( 0.671 4.512 3.832) 5.958 7.116 ( -2.915 8.016 -6.714) 10.855 7.116 ( -2.915 8.016 6.714) 10.855 7.390 ( -5.975 1.676 -2.606) 6.731 7.390 ( -5.975 1.676 2.606) 6.731 7.607 ( -1.841 1.355 -4.835) 5.348 7.607 ( -1.841 1.355 4.835) 5.348 8.012 ( -0.959 -3.221 -3.898) 5.146 8.012 ( -0.959 -3.221 3.898) 5.146 8.154 ( 3.965 -2.937 -1.300) 5.103 8.154 ( 3.965 -2.937 1.300) 5.103 8.339 ( 0.633 -2.179 -1.284) 2.607 8.339 ( 0.633 -2.179 1.284) 2.607 8.667 ( 4.061 -3.708 -2.719) 6.135 8.667 ( 4.061 -3.708 2.719) 6.135 8.779 ( 0.070 -5.265 -0.420) 5.282 8.779 ( 0.070 -5.265 0.420) 5.282 8.928 ( 1.737 -5.061 -1.314) 5.510 8.928 ( 1.737 -5.061 1.314) 5.510 ======================= Grid point 144 (48/63) ======================= q-point: ( 0.40 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( -1.896 1.361 -3.220) 3.977 0.765 ( -1.896 1.361 3.220) 3.977 0.940 ( 1.083 7.692 -1.102) 7.846 0.940 ( 1.083 7.692 1.102) 7.846 1.025 ( 0.584 12.857 -0.660) 12.887 1.025 ( 0.584 12.857 0.660) 12.887 1.174 ( -3.150 7.389 -1.181) 8.119 1.174 ( -3.150 7.389 1.181) 8.119 1.516 ( 3.788 -2.455 -2.363) 5.095 1.516 ( 3.788 -2.455 2.363) 5.095 1.723 ( 1.457 -4.219 -1.773) 4.803 1.723 ( 1.457 -4.219 1.773) 4.803 1.979 ( 7.906 7.809 -5.100) 12.227 1.979 ( 7.906 7.809 5.100) 12.227 2.176 ( -8.375 5.739 -3.453) 10.723 2.176 ( -8.375 5.739 3.453) 10.723 2.382 ( 9.363 5.815 -2.004) 11.203 2.382 ( 9.363 5.815 2.004) 11.203 2.603 ( 3.106 1.050 -1.779) 3.730 2.603 ( 3.106 1.050 1.779) 3.730 2.775 ( 10.208 1.598 -4.139) 11.131 2.775 ( 10.208 1.598 4.139) 11.131 2.889 ( 0.133 10.727 -0.557) 10.743 2.889 ( 0.133 10.727 0.557) 10.743 2.903 ( 0.110 10.230 -0.393) 10.238 2.903 ( 0.110 10.230 0.393) 10.238 3.117 ( -12.244 1.055 -1.713) 12.408 3.117 ( -12.244 1.055 1.713) 12.408 3.310 ( 1.925 0.380 -1.249) 2.326 3.310 ( 1.925 0.380 1.249) 2.326 3.421 ( -2.079 -3.360 -0.323) 3.965 3.421 ( -2.079 -3.360 0.323) 3.965 4.187 ( 14.927 -2.069 -2.985) 15.363 4.187 ( 14.927 -2.069 2.985) 15.363 4.569 ( -21.857 -2.171 -3.881) 22.304 4.569 ( -21.857 -2.171 3.881) 22.304 5.883 ( -0.762 8.880 -0.295) 8.918 5.883 ( -0.762 8.880 0.295) 8.918 6.013 ( -0.099 7.068 -0.750) 7.109 6.013 ( -0.099 7.068 0.750) 7.109 6.330 ( 2.532 -3.505 -1.591) 4.607 6.330 ( 2.532 -3.505 1.591) 4.607 6.378 ( 1.627 -1.278 -1.252) 2.418 6.378 ( 1.627 -1.278 1.252) 2.418 6.575 ( 2.039 6.731 -3.393) 7.809 6.575 ( 2.039 6.731 3.393) 7.809 6.638 ( -0.649 2.520 -4.237) 4.972 6.638 ( -0.649 2.520 4.237) 4.972 6.813 ( 3.688 2.163 -2.001) 4.720 6.813 ( 3.688 2.163 2.001) 4.720 6.879 ( -1.820 0.231 -4.287) 4.663 6.879 ( -1.820 0.231 4.287) 4.663 6.990 ( 0.790 5.385 -2.489) 5.984 6.990 ( 0.790 5.385 2.489) 5.984 7.039 ( -3.793 7.529 -2.024) 8.670 7.039 ( -3.793 7.529 2.024) 8.670 7.304 ( -2.197 2.028 -0.393) 3.016 7.304 ( -2.197 2.028 0.393) 3.016 7.571 ( -1.275 1.698 -2.276) 3.113 7.571 ( -1.275 1.698 2.276) 3.113 8.000 ( -0.236 -2.985 -1.510) 3.353 8.000 ( -0.236 -2.985 1.510) 3.353 8.193 ( 0.298 -1.954 -0.325) 2.003 8.193 ( 0.298 -1.954 0.325) 2.003 8.426 ( 7.461 -3.405 -1.325) 8.308 8.426 ( 7.461 -3.405 1.325) 8.308 8.592 ( -7.810 -4.574 -1.683) 9.206 8.592 ( -7.810 -4.574 1.683) 9.206 8.868 ( 4.506 -4.100 -3.207) 6.885 8.868 ( 4.506 -4.100 3.207) 6.885 8.960 ( 0.667 -5.377 -1.333) 5.580 8.960 ( 0.667 -5.377 1.333) 5.580 ======================= Grid point 150 (49/63) ======================= q-point: ( 0.00 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 0.000 10.965 -8.020) 13.585 0.906 ( 0.000 10.965 8.020) 13.585 0.946 ( 0.000 6.265 -4.329) 7.616 0.946 ( 0.000 6.265 4.329) 7.616 1.292 ( 0.000 1.760 -4.391) 4.731 1.292 ( 0.000 1.760 4.391) 4.731 1.375 ( 0.000 12.082 -0.353) 12.087 1.375 ( 0.000 12.082 0.353) 12.087 1.517 ( 0.000 2.715 -0.270) 2.729 1.517 ( 0.000 2.715 0.270) 2.729 1.588 ( 0.000 8.048 -0.185) 8.051 1.588 ( 0.000 8.048 0.185) 8.051 1.753 ( 0.000 10.870 -1.879) 11.031 1.753 ( 0.000 10.870 1.879) 11.031 2.147 ( 0.000 5.183 -5.664) 7.677 2.147 ( 0.000 5.183 5.664) 7.677 2.381 ( 0.000 3.193 -0.908) 3.319 2.381 ( 0.000 3.193 0.908) 3.319 2.746 ( 0.000 9.083 -2.588) 9.444 2.746 ( 0.000 9.083 2.588) 9.444 2.857 ( 0.000 1.226 -1.243) 1.746 2.857 ( 0.000 1.226 1.243) 1.746 3.039 ( 0.000 8.222 -1.157) 8.303 3.039 ( 0.000 8.222 1.157) 8.303 3.203 ( 0.000 16.414 -1.205) 16.458 3.203 ( 0.000 16.414 1.205) 16.458 3.250 ( 0.000 1.346 -0.531) 1.446 3.250 ( 0.000 1.346 0.531) 1.446 3.346 ( 0.000 4.587 -0.615) 4.628 3.346 ( 0.000 4.587 0.615) 4.628 3.414 ( 0.000 3.461 -1.660) 3.839 3.414 ( 0.000 3.461 1.660) 3.839 3.859 ( 0.000 -2.697 -1.984) 3.349 3.859 ( 0.000 -2.697 1.984) 3.349 5.084 ( 0.000 -3.017 -1.889) 3.559 5.084 ( 0.000 -3.017 1.889) 3.559 5.984 ( 0.000 0.394 -3.422) 3.445 5.984 ( 0.000 0.394 3.422) 3.445 6.140 ( 0.000 8.131 -3.716) 8.940 6.140 ( 0.000 8.131 3.716) 8.940 6.314 ( 0.000 9.409 -2.990) 9.872 6.314 ( 0.000 9.409 2.990) 9.872 6.381 ( 0.000 1.564 -1.480) 2.154 6.381 ( 0.000 1.564 1.480) 2.154 6.629 ( 0.000 3.098 -1.061) 3.274 6.629 ( 0.000 3.098 1.061) 3.274 6.713 ( 0.000 7.141 -3.330) 7.879 6.713 ( 0.000 7.141 3.330) 7.879 6.845 ( 0.000 6.204 -0.887) 6.267 6.845 ( 0.000 6.204 0.887) 6.267 6.865 ( 0.000 -3.573 -6.962) 7.826 6.865 ( 0.000 -3.573 6.962) 7.826 7.090 ( 0.000 5.725 -2.478) 6.238 7.090 ( 0.000 5.725 2.478) 6.238 7.319 ( 0.000 10.151 -3.204) 10.644 7.319 ( 0.000 10.151 3.204) 10.644 7.513 ( 0.000 1.594 -1.405) 2.125 7.513 ( 0.000 1.594 1.405) 2.125 7.612 ( 0.000 -3.017 -5.050) 5.882 7.612 ( 0.000 -3.017 5.050) 5.882 7.936 ( 0.000 -3.539 -0.910) 3.654 7.936 ( 0.000 -3.539 0.910) 3.654 8.045 ( 0.000 -2.629 -2.907) 3.920 8.045 ( 0.000 -2.629 2.907) 3.920 8.266 ( 0.000 -5.511 -1.022) 5.604 8.266 ( 0.000 -5.511 1.022) 5.604 8.515 ( 0.000 -3.050 -1.398) 3.355 8.515 ( 0.000 -3.050 1.398) 3.355 8.672 ( 0.000 -7.251 -1.521) 7.409 8.672 ( 0.000 -7.251 1.521) 7.409 8.819 ( 0.000 -3.185 -0.087) 3.187 8.819 ( 0.000 -3.185 0.087) 3.187 ======================= Grid point 152 (50/63) ======================= q-point: ( 0.20 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -1.597 7.942 -2.907) 8.606 0.895 ( -1.597 7.942 2.907) 8.606 1.002 ( 4.346 6.399 -3.139) 8.348 1.002 ( 4.346 6.399 3.139) 8.348 1.267 ( -1.202 5.101 -2.276) 5.714 1.267 ( -1.202 5.101 2.276) 5.714 1.388 ( -0.284 11.375 -1.814) 11.522 1.388 ( -0.284 11.375 1.814) 11.522 1.505 ( 1.793 1.825 -3.269) 4.151 1.505 ( 1.793 1.825 3.269) 4.151 1.685 ( 0.933 7.182 -0.615) 7.269 1.685 ( 0.933 7.182 0.615) 7.269 1.891 ( 14.380 7.418 -0.876) 16.204 1.891 ( 14.380 7.418 0.876) 16.204 2.206 ( 5.847 2.003 -4.171) 7.456 2.206 ( 5.847 2.003 4.171) 7.456 2.384 ( 2.669 6.964 -2.428) 7.843 2.384 ( 2.669 6.964 2.428) 7.843 2.716 ( -2.082 9.622 -2.341) 10.119 2.716 ( -2.082 9.622 2.341) 10.119 2.814 ( -3.139 3.467 -2.034) 5.100 2.814 ( -3.139 3.467 2.034) 5.100 3.070 ( 2.068 7.738 -0.388) 8.019 3.070 ( 2.068 7.738 0.388) 8.019 3.171 ( -2.197 10.295 -1.229) 10.598 3.171 ( -2.197 10.295 1.229) 10.598 3.272 ( 0.387 6.000 -0.536) 6.036 3.272 ( 0.387 6.000 0.536) 6.036 3.351 ( 0.557 5.821 -1.104) 5.951 3.351 ( 0.557 5.821 1.104) 5.951 3.404 ( -0.731 4.339 -0.928) 4.497 3.404 ( -0.731 4.339 0.928) 4.497 3.925 ( 6.646 -3.096 -1.975) 7.593 3.925 ( 6.646 -3.096 1.975) 7.593 4.917 ( -16.058 -2.875 -2.214) 16.463 4.917 ( -16.058 -2.875 2.214) 16.463 6.024 ( 3.083 1.446 -2.724) 4.361 6.024 ( 3.083 1.446 2.724) 4.361 6.127 ( -1.012 7.066 -3.233) 7.836 6.127 ( -1.012 7.066 3.233) 7.836 6.306 ( -0.351 6.865 -3.017) 7.506 6.306 ( -0.351 6.865 3.017) 7.506 6.376 ( -0.545 0.976 -2.570) 2.803 6.376 ( -0.545 0.976 2.570) 2.803 6.647 ( 1.500 3.556 -1.435) 4.118 6.647 ( 1.500 3.556 1.435) 4.118 6.724 ( 0.714 6.092 -3.477) 7.050 6.724 ( 0.714 6.092 3.477) 7.050 6.847 ( 0.528 4.343 -2.562) 5.070 6.847 ( 0.528 4.343 2.562) 5.070 6.873 ( 0.844 -0.633 -5.112) 5.219 6.873 ( 0.844 -0.633 5.112) 5.219 7.096 ( 0.550 5.656 -2.111) 6.062 7.096 ( 0.550 5.656 2.111) 6.062 7.298 ( -2.825 9.667 -3.284) 10.594 7.298 ( -2.825 9.667 3.284) 10.594 7.426 ( -5.110 1.985 -1.078) 5.587 7.426 ( -5.110 1.985 1.078) 5.587 7.632 ( -0.155 0.318 -4.901) 4.914 7.632 ( -0.155 0.318 4.901) 4.914 7.928 ( -0.458 -3.955 -3.142) 5.071 7.928 ( -0.458 -3.955 3.142) 5.071 8.082 ( 3.284 -3.777 -0.988) 5.101 8.082 ( 3.284 -3.777 0.988) 5.101 8.281 ( 1.524 -3.540 -1.462) 4.122 8.281 ( 1.524 -3.540 1.462) 4.122 8.572 ( 1.756 -5.562 -1.968) 6.155 8.572 ( 1.756 -5.562 1.968) 6.155 8.645 ( 0.587 -6.650 -0.919) 6.739 8.645 ( 0.587 -6.650 0.919) 6.739 8.841 ( 1.565 -3.670 -0.244) 3.997 8.841 ( 1.565 -3.670 0.244) 3.997 ======================= Grid point 154 (51/63) ======================= q-point: ( 0.40 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -1.428 6.928 -1.128) 7.163 0.858 ( -1.428 6.928 1.128) 7.163 1.070 ( 1.963 5.741 -1.391) 6.225 1.070 ( 1.963 5.741 1.391) 6.225 1.261 ( 0.416 8.437 -0.380) 8.456 1.261 ( 0.416 8.437 0.380) 8.456 1.363 ( -1.530 10.071 -0.635) 10.206 1.363 ( -1.530 10.071 0.635) 10.206 1.550 ( 1.904 4.991 -1.459) 5.537 1.550 ( 1.904 4.991 1.459) 5.537 1.682 ( -0.403 0.917 -0.084) 1.005 1.682 ( -0.403 0.917 0.084) 1.005 2.085 ( 5.689 4.583 -2.761) 7.810 2.085 ( 5.689 4.583 2.761) 7.810 2.228 ( -2.992 0.960 -2.608) 4.083 2.228 ( -2.992 0.960 2.608) 4.083 2.570 ( 6.889 10.557 -2.303) 12.815 2.570 ( 6.889 10.557 2.303) 12.815 2.693 ( -1.105 6.178 -0.734) 6.319 2.693 ( -1.105 6.178 0.734) 6.319 2.846 ( 11.452 6.024 -3.337) 13.363 2.846 ( 11.452 6.024 3.337) 13.363 3.075 ( -4.656 4.186 -1.128) 6.362 3.075 ( -4.656 4.186 1.128) 6.362 3.126 ( -1.133 8.630 -0.734) 8.735 3.126 ( -1.133 8.630 0.734) 8.735 3.231 ( -3.144 11.088 -0.346) 11.531 3.231 ( -3.144 11.088 0.346) 11.531 3.368 ( 0.771 4.490 -0.821) 4.629 3.368 ( 0.771 4.490 0.821) 4.629 3.397 ( -0.059 8.630 -0.115) 8.631 3.397 ( -0.059 8.630 0.115) 8.631 4.134 ( 15.027 -3.295 -2.205) 15.541 4.134 ( 15.027 -3.295 2.205) 15.541 4.518 ( -22.020 -2.900 -2.519) 22.353 4.518 ( -22.020 -2.900 2.519) 22.353 6.061 ( 0.367 7.662 -0.562) 7.691 6.061 ( 0.367 7.662 0.562) 7.691 6.120 ( 0.362 2.441 -0.806) 2.596 6.120 ( 0.362 2.441 0.806) 2.596 6.313 ( 0.935 2.867 -2.771) 4.095 6.313 ( 0.935 2.867 2.771) 4.095 6.361 ( -0.889 -0.656 -2.794) 3.004 6.361 ( -0.889 -0.656 2.794) 3.004 6.674 ( 0.934 2.881 -1.170) 3.247 6.674 ( 0.934 2.881 1.170) 3.247 6.728 ( -0.221 5.683 -2.341) 6.150 6.728 ( -0.221 5.683 2.341) 6.150 6.867 ( 0.852 0.977 -1.505) 1.986 6.867 ( 0.852 0.977 1.505) 1.986 6.898 ( 1.364 3.402 -2.093) 4.221 6.898 ( 1.364 3.402 2.093) 4.221 7.115 ( 1.647 6.351 -1.182) 6.667 7.115 ( 1.647 6.351 1.182) 6.667 7.202 ( -5.274 7.813 -1.491) 9.543 7.202 ( -5.274 7.813 1.491) 9.543 7.374 ( -0.767 5.426 -0.362) 5.492 7.374 ( -0.767 5.426 0.362) 5.492 7.613 ( -0.938 2.067 -2.125) 3.110 7.613 ( -0.938 2.067 2.125) 3.110 7.923 ( -0.131 -4.017 -1.299) 4.224 7.923 ( -0.131 -4.017 1.299) 4.224 8.134 ( 1.225 -3.813 -0.206) 4.011 8.134 ( 1.225 -3.813 0.206) 4.011 8.350 ( 5.753 -3.697 -1.335) 6.967 8.350 ( 5.753 -3.697 1.335) 6.967 8.484 ( -6.885 -5.396 -1.276) 8.841 8.484 ( -6.885 -5.396 1.276) 8.841 8.758 ( 6.295 -6.258 -2.857) 9.325 8.758 ( 6.295 -6.258 2.857) 9.325 8.848 ( -1.518 -5.390 -1.371) 5.765 8.848 ( -1.518 -5.390 1.371) 5.765 ======================= Grid point 160 (52/63) ======================= q-point: ( 0.00 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 0.000 0.859 -2.645) 2.781 1.005 ( 0.000 0.859 2.645) 2.781 1.159 ( 0.000 7.880 -2.759) 8.349 1.159 ( 0.000 7.880 2.759) 8.349 1.299 ( 0.000 4.900 -2.534) 5.517 1.299 ( 0.000 4.900 2.534) 5.517 1.487 ( 0.000 -0.881 -1.024) 1.351 1.487 ( 0.000 -0.881 1.024) 1.351 1.686 ( 0.000 12.885 -0.022) 12.885 1.686 ( 0.000 12.885 0.022) 12.885 1.813 ( 0.000 11.217 -1.302) 11.292 1.813 ( 0.000 11.217 1.302) 11.292 1.927 ( 0.000 6.809 -4.131) 7.964 1.927 ( 0.000 6.809 4.131) 7.964 2.212 ( 0.000 4.124 -2.223) 4.685 2.212 ( 0.000 4.124 2.223) 4.685 2.448 ( 0.000 2.765 -0.542) 2.817 2.448 ( 0.000 2.765 0.542) 2.817 2.891 ( 0.000 4.260 -1.292) 4.452 2.891 ( 0.000 4.260 1.292) 4.452 2.960 ( 0.000 8.735 -1.845) 8.928 2.960 ( 0.000 8.735 1.845) 8.928 3.119 ( 0.000 0.738 -0.535) 0.911 3.119 ( 0.000 0.738 0.535) 0.911 3.221 ( 0.000 -0.878 -0.541) 1.031 3.221 ( 0.000 -0.878 0.541) 1.031 3.294 ( 0.000 -2.273 -1.319) 2.628 3.294 ( 0.000 -2.273 1.319) 2.628 3.672 ( 0.000 14.786 -0.195) 14.788 3.672 ( 0.000 14.786 0.195) 14.788 3.745 ( 0.000 24.610 -0.648) 24.618 3.745 ( 0.000 24.610 0.648) 24.618 3.810 ( 0.000 4.121 -0.510) 4.152 3.810 ( 0.000 4.121 0.510) 4.152 5.025 ( 0.000 -2.825 -0.329) 2.844 5.025 ( 0.000 -2.825 0.329) 2.844 6.028 ( 0.000 3.997 -3.379) 5.234 6.028 ( 0.000 3.997 3.379) 5.234 6.277 ( 0.000 5.561 -4.917) 7.423 6.277 ( 0.000 5.561 4.917) 7.423 6.378 ( 0.000 -1.718 -0.696) 1.853 6.378 ( 0.000 -1.718 0.696) 1.853 6.463 ( 0.000 5.632 -3.703) 6.741 6.463 ( 0.000 5.632 3.703) 6.741 6.678 ( 0.000 0.956 -1.933) 2.156 6.678 ( 0.000 0.956 1.933) 2.156 6.750 ( 0.000 -6.065 -6.308) 8.751 6.750 ( 0.000 -6.065 6.308) 8.751 6.850 ( 0.000 5.967 -4.402) 7.415 6.850 ( 0.000 5.967 4.402) 7.415 7.000 ( 0.000 7.678 -1.340) 7.794 7.000 ( 0.000 7.678 1.340) 7.794 7.143 ( 0.000 -0.810 -2.687) 2.807 7.143 ( 0.000 -0.810 2.687) 2.807 7.478 ( 0.000 2.818 -1.710) 3.297 7.478 ( 0.000 2.818 1.710) 3.297 7.494 ( 0.000 -3.417 -2.338) 4.140 7.494 ( 0.000 -3.417 2.338) 4.140 7.618 ( 0.000 8.381 -3.624) 9.131 7.618 ( 0.000 8.381 3.624) 9.131 7.927 ( 0.000 1.605 -0.595) 1.711 7.927 ( 0.000 1.605 0.595) 1.711 8.002 ( 0.000 -1.214 -5.590) 5.721 8.002 ( 0.000 -1.214 5.590) 5.721 8.150 ( 0.000 -5.688 -1.238) 5.821 8.150 ( 0.000 -5.688 1.238) 5.821 8.445 ( 0.000 -4.308 -0.308) 4.319 8.445 ( 0.000 -4.308 0.308) 4.319 8.564 ( 0.000 -3.076 -0.605) 3.135 8.564 ( 0.000 -3.076 0.605) 3.135 8.766 ( 0.000 -2.299 -0.528) 2.358 8.766 ( 0.000 -2.299 0.528) 2.358 ======================= Grid point 162 (53/63) ======================= q-point: ( 0.20 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -1.104 1.660 -2.111) 2.904 0.996 ( -1.104 1.660 2.111) 2.904 1.157 ( 0.145 5.555 -2.197) 5.976 1.157 ( 0.145 5.555 2.197) 5.976 1.331 ( 2.755 5.643 -1.336) 6.420 1.331 ( 2.755 5.643 1.336) 6.420 1.488 ( -0.168 -1.255 -0.692) 1.443 1.488 ( -0.168 -1.255 0.692) 1.443 1.658 ( -0.158 12.339 -1.875) 12.482 1.658 ( -0.158 12.339 1.875) 12.482 1.834 ( -2.066 5.993 -4.209) 7.609 1.834 ( -2.066 5.993 4.209) 7.609 2.068 ( 11.105 9.613 -1.379) 14.752 2.068 ( 11.105 9.613 1.379) 14.752 2.238 ( 2.608 3.154 -2.556) 4.825 2.238 ( 2.608 3.154 2.556) 4.825 2.502 ( 7.625 4.863 -1.433) 9.156 2.502 ( 7.625 4.863 1.433) 9.156 2.869 ( -1.959 5.433 -0.827) 5.834 2.869 ( -1.959 5.433 0.827) 5.834 2.949 ( -0.559 8.419 -1.778) 8.622 2.949 ( -0.559 8.419 1.778) 8.622 3.133 ( 0.917 0.257 -0.290) 0.996 3.133 ( 0.917 0.257 0.290) 0.996 3.215 ( -0.505 0.160 -0.563) 0.774 3.215 ( -0.505 0.160 0.563) 0.774 3.284 ( -1.044 -2.402 -1.196) 2.879 3.284 ( -1.044 -2.402 1.196) 2.879 3.695 ( 1.942 18.832 -0.454) 18.937 3.695 ( 1.942 18.832 0.454) 18.937 3.748 ( 0.274 24.715 -0.615) 24.724 3.748 ( 0.274 24.715 0.615) 24.724 3.859 ( 5.371 -0.469 -0.829) 5.455 3.859 ( 5.371 -0.469 0.829) 5.455 4.859 ( -15.927 -2.767 -0.797) 16.185 4.859 ( -15.927 -2.767 0.797) 16.185 6.058 ( 2.791 2.937 -2.819) 4.936 6.058 ( 2.791 2.937 2.819) 4.936 6.255 ( -1.964 5.129 -4.534) 7.121 6.255 ( -1.964 5.129 4.534) 7.121 6.366 ( -1.202 -0.887 -2.538) 2.945 6.366 ( -1.202 -0.887 2.538) 2.945 6.433 ( -2.213 4.709 -2.775) 5.897 6.433 ( -2.213 4.709 2.775) 5.897 6.675 ( 0.195 -2.503 -1.198) 2.782 6.675 ( 0.195 -2.503 1.198) 2.782 6.781 ( 1.990 -0.106 -2.709) 3.362 6.781 ( 1.990 -0.106 2.709) 3.362 6.866 ( 1.335 4.001 -1.825) 4.596 6.866 ( 1.335 4.001 1.825) 4.596 6.985 ( -1.043 5.330 -1.204) 5.563 6.985 ( -1.043 5.330 1.204) 5.563 7.166 ( 2.099 1.501 -2.649) 3.698 7.166 ( 2.099 1.501 2.649) 3.698 7.406 ( -4.188 1.574 -0.895) 4.563 7.406 ( -4.188 1.574 0.895) 4.563 7.527 ( 0.396 5.258 -2.544) 5.854 7.527 ( 0.396 5.258 2.544) 5.854 7.628 ( 0.533 2.737 -3.929) 4.818 7.628 ( 0.533 2.737 3.929) 4.818 7.906 ( -1.396 1.559 -2.603) 3.340 7.906 ( -1.396 1.559 2.603) 3.340 8.014 ( 1.860 -3.078 -2.739) 4.521 8.014 ( 1.860 -3.078 2.739) 4.521 8.210 ( 4.225 -3.021 -1.009) 5.290 8.210 ( 4.225 -3.021 1.009) 5.290 8.461 ( 0.257 -5.318 -0.898) 5.399 8.461 ( 0.257 -5.318 0.898) 5.399 8.550 ( 0.581 -2.818 -1.202) 3.118 8.550 ( 0.581 -2.818 1.202) 3.118 8.776 ( 0.325 -2.920 -0.342) 2.958 8.776 ( 0.325 -2.920 0.342) 2.958 ======================= Grid point 164 (54/63) ======================= q-point: ( 0.40 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -0.893 3.400 -0.840) 3.614 0.972 ( -0.893 3.400 0.840) 3.614 1.164 ( 0.296 2.921 -0.656) 3.008 1.164 ( 0.296 2.921 0.656) 3.008 1.387 ( 2.314 5.320 -0.383) 5.814 1.387 ( 2.314 5.320 0.383) 5.814 1.470 ( -1.416 0.424 -0.312) 1.511 1.470 ( -1.416 0.424 0.312) 1.511 1.693 ( 3.253 9.300 -4.100) 10.672 1.693 ( 3.253 9.300 4.100) 10.672 1.769 ( -3.865 6.351 -4.589) 8.737 1.769 ( -3.865 6.351 4.589) 8.737 2.195 ( 2.971 6.190 -1.938) 7.134 2.195 ( 2.971 6.190 1.938) 7.134 2.266 ( -0.390 3.249 -2.271) 3.983 2.266 ( -0.390 3.249 2.271) 3.983 2.735 ( 9.662 6.160 -2.277) 11.683 2.735 ( 9.662 6.160 2.277) 11.683 2.826 ( -2.246 6.935 -0.592) 7.314 2.826 ( -2.246 6.935 0.592) 7.314 2.986 ( 6.003 6.489 -1.028) 8.900 2.986 ( 6.003 6.489 1.028) 8.900 3.118 ( -3.631 1.268 -0.919) 3.955 3.118 ( -3.631 1.268 0.919) 3.955 3.211 ( 0.333 1.451 -0.694) 1.642 3.211 ( 0.333 1.451 0.694) 1.642 3.254 ( -1.655 -2.279 -0.620) 2.884 3.254 ( -1.655 -2.279 0.620) 2.884 3.728 ( 0.976 24.014 -0.859) 24.050 3.728 ( 0.976 24.014 0.859) 24.050 3.753 ( 0.145 23.519 -0.792) 23.533 3.753 ( 0.145 23.519 0.792) 23.533 4.057 ( 15.533 -4.177 -1.011) 16.117 4.057 ( 15.533 -4.177 1.011) 16.117 4.456 ( -22.693 -3.158 -1.122) 22.939 4.456 ( -22.693 -3.158 1.122) 22.939 6.115 ( 2.190 0.884 -1.312) 2.702 6.115 ( 2.190 0.884 1.312) 2.702 6.217 ( -1.429 5.401 -2.108) 5.972 6.217 ( -1.429 5.401 2.108) 5.972 6.340 ( -1.023 -0.469 -1.132) 1.596 6.340 ( -1.023 -0.469 1.132) 1.596 6.400 ( -0.886 3.698 -0.618) 3.853 6.400 ( -0.886 3.698 0.618) 3.853 6.684 ( 0.389 -2.480 -0.402) 2.542 6.684 ( 0.389 -2.480 0.402) 2.542 6.806 ( 0.554 2.143 -1.270) 2.552 6.806 ( 0.554 2.143 1.270) 2.552 6.885 ( 0.337 2.154 -1.462) 2.625 6.885 ( 0.337 2.154 1.462) 2.625 6.976 ( 0.096 2.738 -0.650) 2.815 6.976 ( 0.096 2.738 0.650) 2.815 7.218 ( 2.833 3.933 -1.940) 5.221 7.218 ( 2.833 3.933 1.940) 5.221 7.325 ( -3.647 4.813 -1.393) 6.197 7.325 ( -3.647 4.813 1.393) 6.197 7.521 ( -0.449 8.212 -0.775) 8.261 7.521 ( -0.449 8.212 0.775) 8.261 7.627 ( -0.327 -0.399 -1.263) 1.364 7.627 ( -0.327 -0.399 1.263) 1.364 7.890 ( -0.317 1.162 -1.049) 1.598 7.890 ( -0.317 1.162 1.049) 1.598 8.057 ( 1.543 -3.552 -0.311) 3.885 8.057 ( 1.543 -3.552 0.311) 3.885 8.292 ( 4.338 -1.776 -0.855) 4.765 8.292 ( 4.338 -1.776 0.855) 4.765 8.402 ( -4.710 -2.792 -0.658) 5.515 8.402 ( -4.710 -2.792 0.658) 5.515 8.642 ( 6.648 -5.055 -1.686) 8.520 8.642 ( 6.648 -5.055 1.686) 8.520 8.750 ( -3.411 -4.330 -0.810) 5.572 8.750 ( -3.411 -4.330 0.810) 5.572 ======================= Grid point 170 (55/63) ======================= q-point: ( 0.00 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 0.000 -2.262 -0.212) 2.272 0.986 ( 0.000 -2.262 0.212) 2.272 1.178 ( 0.000 -1.955 -1.680) 2.577 1.178 ( 0.000 -1.955 1.680) 2.577 1.452 ( 0.000 0.119 -1.196) 1.202 1.452 ( 0.000 0.119 1.196) 1.202 1.466 ( 0.000 3.672 -0.149) 3.675 1.466 ( 0.000 3.672 0.149) 3.675 1.919 ( 0.000 10.975 -1.408) 11.065 1.919 ( 0.000 10.975 1.408) 11.065 1.929 ( 0.000 2.269 -7.359) 7.701 1.929 ( 0.000 2.269 7.359) 7.701 2.123 ( 0.000 11.673 -0.295) 11.677 2.123 ( 0.000 11.673 0.295) 11.677 2.314 ( 0.000 5.307 -3.313) 6.256 2.314 ( 0.000 5.307 3.313) 6.256 2.505 ( 0.000 3.009 -0.549) 3.059 2.505 ( 0.000 3.009 0.549) 3.059 2.945 ( 0.000 0.507 -0.821) 0.965 2.945 ( 0.000 0.507 0.821) 0.965 3.062 ( 0.000 -0.800 -0.393) 0.891 3.062 ( 0.000 -0.800 0.393) 0.891 3.148 ( 0.000 2.944 -0.678) 3.021 3.148 ( 0.000 2.944 0.678) 3.021 3.215 ( 0.000 2.168 -0.125) 2.172 3.215 ( 0.000 2.168 0.125) 2.172 3.261 ( 0.000 -0.625 -0.442) 0.765 3.261 ( 0.000 -0.625 0.442) 0.765 3.625 ( 0.000 -7.296 -1.112) 7.380 3.625 ( 0.000 -7.296 1.112) 7.380 4.176 ( 0.000 22.391 -1.899) 22.472 4.176 ( 0.000 22.391 1.899) 22.472 4.286 ( 0.000 25.063 -1.403) 25.102 4.286 ( 0.000 25.063 1.403) 25.102 4.978 ( 0.000 -1.762 -0.775) 1.925 4.978 ( 0.000 -1.762 0.775) 1.925 6.130 ( 0.000 5.579 -2.569) 6.142 6.130 ( 0.000 5.579 2.569) 6.142 6.301 ( 0.000 -4.583 -5.859) 7.439 6.301 ( 0.000 -4.583 5.859) 7.439 6.371 ( 0.000 3.050 -0.456) 3.084 6.371 ( 0.000 3.050 0.456) 3.084 6.556 ( 0.000 3.539 -4.912) 6.054 6.556 ( 0.000 3.539 4.912) 6.054 6.572 ( 0.000 -6.725 -3.554) 7.606 6.572 ( 0.000 -6.725 3.554) 7.606 6.744 ( 0.000 1.820 -0.620) 1.922 6.744 ( 0.000 1.820 0.620) 1.922 6.924 ( 0.000 0.922 -3.417) 3.539 6.924 ( 0.000 0.922 3.417) 3.539 7.073 ( 0.000 -0.374 -2.344) 2.374 7.073 ( 0.000 -0.374 2.344) 2.374 7.165 ( 0.000 5.418 -0.396) 5.432 7.165 ( 0.000 5.418 0.396) 5.432 7.457 ( 0.000 0.079 -1.247) 1.250 7.457 ( 0.000 0.079 1.247) 1.250 7.528 ( 0.000 2.243 -2.571) 3.412 7.528 ( 0.000 2.243 2.571) 3.412 7.785 ( 0.000 6.561 -3.697) 7.531 7.785 ( 0.000 6.561 3.697) 7.531 7.923 ( 0.000 -2.419 -4.310) 4.943 7.923 ( 0.000 -2.419 4.310) 4.943 8.030 ( 0.000 1.260 -1.160) 1.713 8.030 ( 0.000 1.260 1.160) 1.713 8.062 ( 0.000 -0.698 -0.232) 0.736 8.062 ( 0.000 -0.698 0.232) 0.736 8.356 ( 0.000 -4.165 -0.011) 4.165 8.356 ( 0.000 -4.165 0.011) 4.165 8.535 ( 0.000 -0.362 -1.181) 1.235 8.535 ( 0.000 -0.362 1.181) 1.235 8.726 ( 0.000 -1.752 -0.930) 1.983 8.726 ( 0.000 -1.752 0.930) 1.983 ======================= Grid point 172 (56/63) ======================= q-point: ( 0.20 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 0.299 -1.684 -0.099) 1.713 0.990 ( 0.299 -1.684 0.099) 1.713 1.175 ( -0.238 -1.849 -1.492) 2.388 1.175 ( -0.238 -1.849 1.492) 2.388 1.453 ( 0.058 -0.781 -1.018) 1.284 1.453 ( 0.058 -0.781 1.018) 1.284 1.464 ( -0.164 3.071 -0.395) 3.101 1.464 ( -0.164 3.071 0.395) 3.101 1.885 ( -1.324 10.518 -2.507) 10.894 1.885 ( -1.324 10.518 2.507) 10.894 1.920 ( -1.016 3.656 -6.244) 7.306 1.920 ( -1.016 3.656 6.244) 7.306 2.252 ( 6.850 8.361 -1.309) 10.888 2.252 ( 6.850 8.361 1.309) 10.888 2.326 ( 1.279 4.871 -3.465) 6.113 2.326 ( 1.279 4.871 3.465) 6.113 2.602 ( 11.140 5.067 -1.296) 12.307 2.602 ( 11.140 5.067 1.296) 12.307 2.939 ( -0.503 0.804 -0.493) 1.069 2.939 ( -0.503 0.804 0.493) 1.069 3.037 ( -1.762 -0.452 -1.008) 2.079 3.037 ( -1.762 -0.452 1.008) 2.079 3.155 ( -0.009 1.428 -0.526) 1.522 3.155 ( -0.009 1.428 0.526) 1.522 3.221 ( 0.594 2.658 -0.388) 2.751 3.221 ( 0.594 2.658 0.388) 2.751 3.257 ( -0.265 -0.064 -0.610) 0.669 3.257 ( -0.265 -0.064 0.610) 0.669 3.692 ( 7.252 -6.959 -0.759) 10.079 3.692 ( 7.252 -6.959 0.759) 10.079 4.189 ( 1.233 22.566 -2.130) 22.700 4.189 ( 1.233 22.566 2.130) 22.700 4.278 ( -0.812 24.683 -2.051) 24.781 4.278 ( -0.812 24.683 2.051) 24.781 4.812 ( -16.004 -1.746 -0.854) 16.121 4.812 ( -16.004 -1.746 0.854) 16.121 6.138 ( 0.681 4.399 -2.001) 4.880 6.138 ( 0.681 4.399 2.001) 4.880 6.279 ( -1.682 -2.962 -4.655) 5.768 6.279 ( -1.682 -2.962 4.655) 5.768 6.378 ( 0.301 2.918 -4.714) 5.552 6.378 ( 0.301 2.918 4.714) 5.552 6.501 ( -3.869 1.109 -4.569) 6.089 6.501 ( -3.869 1.109 4.569) 6.089 6.580 ( 1.660 -3.243 -2.705) 4.538 6.580 ( 1.660 -3.243 2.705) 4.538 6.813 ( 4.028 2.083 -1.971) 4.945 6.813 ( 4.028 2.083 1.971) 4.945 6.903 ( -1.546 -1.164 -3.768) 4.236 6.903 ( -1.546 -1.164 3.768) 4.236 7.040 ( -2.036 1.564 -0.958) 2.740 7.040 ( -2.036 1.564 0.958) 2.740 7.215 ( 3.746 3.938 -1.948) 5.773 7.215 ( 3.746 3.938 1.948) 5.773 7.438 ( -1.414 1.662 -0.586) 2.259 7.438 ( -1.414 1.662 0.586) 2.259 7.561 ( 2.342 1.177 -0.979) 2.798 7.561 ( 2.342 1.177 0.979) 2.798 7.752 ( -3.200 5.604 -5.197) 8.286 7.752 ( -3.200 5.604 5.197) 8.286 7.944 ( 1.009 0.264 -5.885) 5.977 7.944 ( 1.009 0.264 5.885) 5.977 7.962 ( -0.910 -0.936 -2.500) 2.821 7.962 ( -0.910 -0.936 2.500) 2.821 8.183 ( 6.584 0.383 -1.420) 6.747 8.183 ( 6.584 0.383 1.420) 6.747 8.363 ( 0.744 -4.423 -0.550) 4.519 8.363 ( 0.744 -4.423 0.550) 4.519 8.523 ( -0.529 -0.259 -1.215) 1.350 8.523 ( -0.529 -0.259 1.215) 1.350 8.725 ( -0.592 -2.110 -0.651) 2.286 8.725 ( -0.592 -2.110 0.651) 2.286 ======================= Grid point 174 (57/63) ======================= q-point: ( 0.40 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 0.099 -0.554 -0.039) 0.564 0.994 ( 0.099 -0.554 0.039) 0.564 1.172 ( -0.069 -1.896 -0.631) 2.000 1.172 ( -0.069 -1.896 0.631) 2.000 1.452 ( -0.046 -1.119 -0.431) 1.201 1.452 ( -0.046 -1.119 0.431) 1.201 1.461 ( -0.078 1.257 -0.327) 1.301 1.461 ( -0.078 1.257 0.327) 1.301 1.876 ( 0.062 8.220 -2.481) 8.587 1.876 ( 0.062 8.220 2.481) 8.587 1.900 ( -0.783 7.002 -3.685) 7.951 1.900 ( -0.783 7.002 3.685) 7.951 2.315 ( 1.067 5.528 -1.229) 5.762 2.315 ( 1.067 5.528 1.229) 5.762 2.349 ( 0.480 4.526 -1.787) 4.890 2.349 ( 0.480 4.526 1.787) 4.890 2.843 ( 7.600 4.348 -1.475) 8.880 2.843 ( 7.600 4.348 1.475) 8.880 2.932 ( -0.247 2.403 -0.572) 2.482 2.932 ( -0.247 2.403 0.572) 2.482 3.036 ( 3.264 -1.238 -0.325) 3.506 3.036 ( 3.264 -1.238 0.325) 3.506 3.124 ( -3.382 -0.704 -0.145) 3.458 3.124 ( -3.382 -0.704 0.145) 3.458 3.238 ( 0.972 3.124 -0.437) 3.301 3.238 ( 0.972 3.124 0.437) 3.301 3.252 ( -0.382 1.614 -0.660) 1.785 3.252 ( -0.382 1.614 0.660) 1.785 3.944 ( 18.758 -4.513 -0.737) 19.308 3.944 ( 18.758 -4.513 0.737) 19.308 4.220 ( 1.669 22.708 -2.441) 22.899 4.220 ( 1.669 22.708 2.441) 22.899 4.253 ( -1.884 23.620 -2.600) 23.837 4.253 ( -1.884 23.620 2.600) 23.837 4.400 ( -23.608 -1.816 -1.018) 23.700 4.400 ( -23.608 -1.816 1.018) 23.700 6.152 ( 0.511 2.458 -0.717) 2.611 6.152 ( 0.511 2.458 0.717) 2.611 6.251 ( -0.839 -1.647 -1.937) 2.678 6.251 ( -0.839 -1.647 1.937) 2.678 6.378 ( -0.194 4.189 -3.307) 5.341 6.378 ( -0.194 4.189 3.307) 5.341 6.448 ( -1.375 1.141 -3.016) 3.506 6.448 ( -1.375 1.141 3.016) 3.506 6.622 ( 1.850 -2.128 -1.187) 3.060 6.622 ( 1.850 -2.128 1.187) 3.060 6.817 ( -1.909 -1.233 -1.804) 2.902 6.817 ( -1.909 -1.233 1.804) 2.902 6.921 ( 2.048 1.002 -1.020) 2.498 6.921 ( 2.048 1.002 1.020) 2.498 7.008 ( -1.157 1.200 -0.100) 1.670 7.008 ( -1.157 1.200 0.100) 1.670 7.286 ( 2.818 3.164 -1.455) 4.480 7.286 ( 2.818 3.164 1.455) 4.480 7.405 ( -1.645 3.363 -1.225) 3.939 7.405 ( -1.645 3.363 1.225) 3.939 7.603 ( 1.808 0.444 -2.787) 3.351 7.603 ( 1.808 0.444 2.787) 3.351 7.683 ( -3.039 4.955 -4.285) 7.221 7.683 ( -3.039 4.955 4.285) 7.221 7.933 ( -0.286 2.257 -1.684) 2.830 7.933 ( -0.286 2.257 1.684) 2.830 8.002 ( 1.803 -1.727 -0.435) 2.534 8.002 ( 1.803 -1.727 0.435) 2.534 8.285 ( 3.896 0.784 -1.016) 4.102 8.285 ( 3.896 0.784 1.016) 4.102 8.358 ( -2.047 -2.012 -0.914) 3.012 8.358 ( -2.047 -2.012 0.914) 3.012 8.567 ( 5.421 -2.396 -0.976) 6.007 8.567 ( 5.421 -2.396 0.976) 6.007 8.679 ( -4.459 -2.811 -0.347) 5.282 8.679 ( -4.459 -2.811 0.347) 5.282 ======================= Grid point 180 (58/63) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 0.000 -1.697 -0.936) 1.938 0.940 ( 0.000 -1.697 0.936) 1.938 1.120 ( 0.000 -3.795 -0.166) 3.798 1.120 ( 0.000 -3.795 0.166) 3.798 1.414 ( 0.000 -1.781 -1.137) 2.113 1.414 ( 0.000 -1.781 1.137) 2.113 1.488 ( 0.000 -2.067 -0.858) 2.238 1.488 ( 0.000 -2.067 0.858) 2.238 1.960 ( 0.000 1.094 -4.928) 5.048 1.960 ( 0.000 1.094 4.928) 5.048 2.141 ( 0.000 10.832 -2.972) 11.232 2.141 ( 0.000 10.832 2.972) 11.232 2.322 ( 0.000 7.745 -1.824) 7.957 2.322 ( 0.000 7.745 1.824) 7.957 2.405 ( 0.000 3.774 -3.082) 4.873 2.405 ( 0.000 3.774 3.082) 4.873 2.549 ( 0.000 0.729 -0.284) 0.782 2.549 ( 0.000 0.729 0.284) 0.782 2.894 ( 0.000 -5.381 -0.673) 5.423 2.894 ( 0.000 -5.381 0.673) 5.423 3.032 ( 0.000 0.133 -0.565) 0.580 3.032 ( 0.000 0.133 0.565) 0.580 3.167 ( 0.000 0.109 -0.989) 0.995 3.167 ( 0.000 0.109 0.989) 0.995 3.272 ( 0.000 1.403 -0.742) 1.587 3.272 ( 0.000 1.403 0.742) 1.587 3.309 ( 0.000 4.838 -0.010) 4.838 3.309 ( 0.000 4.838 0.010) 4.838 3.469 ( 0.000 -8.081 -0.726) 8.113 3.469 ( 0.000 -8.081 0.726) 8.113 4.581 ( 0.000 17.230 -1.711) 17.315 4.581 ( 0.000 17.230 1.711) 17.315 4.683 ( 0.000 13.595 -2.488) 13.821 4.683 ( 0.000 13.595 2.488) 13.821 4.961 ( 0.000 0.228 -1.209) 1.230 4.961 ( 0.000 0.228 1.209) 1.230 6.178 ( 0.000 -2.698 -0.663) 2.779 6.178 ( 0.000 -2.698 0.663) 2.779 6.256 ( 0.000 2.548 -5.254) 5.839 6.256 ( 0.000 2.548 5.254) 5.839 6.422 ( 0.000 1.748 -0.348) 1.783 6.422 ( 0.000 1.748 0.348) 1.783 6.486 ( 0.000 -0.688 -2.619) 2.708 6.486 ( 0.000 -0.688 2.619) 2.708 6.616 ( 0.000 2.047 -3.791) 4.308 6.616 ( 0.000 2.047 3.791) 4.308 6.778 ( 0.000 1.870 -0.573) 1.956 6.778 ( 0.000 1.870 0.573) 1.956 6.920 ( 0.000 -0.399 -0.725) 0.827 6.920 ( 0.000 -0.399 0.725) 0.827 7.078 ( 0.000 0.195 -0.524) 0.559 7.078 ( 0.000 0.195 0.524) 0.559 7.271 ( 0.000 4.943 -0.572) 4.976 7.271 ( 0.000 4.943 0.572) 4.976 7.462 ( 0.000 -0.003 -0.641) 0.641 7.462 ( 0.000 -0.003 0.641) 0.641 7.575 ( 0.000 2.426 -2.415) 3.423 7.575 ( 0.000 2.426 2.415) 3.423 7.849 ( 0.000 -3.458 -2.893) 4.509 7.849 ( 0.000 -3.458 2.893) 4.509 7.876 ( 0.000 1.930 -2.085) 2.842 7.876 ( 0.000 1.930 2.085) 2.842 7.986 ( 0.000 -2.492 -2.693) 3.670 7.986 ( 0.000 -2.492 2.693) 3.670 8.127 ( 0.000 2.705 -3.262) 4.237 8.127 ( 0.000 2.705 3.262) 4.237 8.295 ( 0.000 -1.567 -0.934) 1.825 8.295 ( 0.000 -1.567 0.934) 1.825 8.536 ( 0.000 0.218 -0.425) 0.477 8.536 ( 0.000 0.218 0.425) 0.477 8.697 ( 0.000 -1.157 -0.919) 1.478 8.697 ( 0.000 -1.157 0.919) 1.478 ======================= Grid point 182 (59/63) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 1.103 -1.465 -0.808) 2.004 0.953 ( 1.103 -1.465 0.808) 2.004 1.116 ( -0.347 -3.787 -0.142) 3.805 1.116 ( -0.347 -3.787 0.142) 3.805 1.415 ( 0.139 -1.780 -1.109) 2.102 1.415 ( 0.139 -1.780 1.109) 2.102 1.475 ( -1.168 -2.005 -0.919) 2.496 1.475 ( -1.168 -2.005 0.919) 2.496 1.970 ( 1.069 2.184 -4.508) 5.122 1.970 ( 1.069 2.184 4.508) 5.122 2.101 ( -2.532 10.000 -3.352) 10.846 2.101 ( -2.532 10.000 3.352) 10.846 2.388 ( 2.649 5.262 -1.407) 6.057 2.388 ( 2.649 5.262 1.407) 6.057 2.412 ( 0.774 3.524 -3.010) 4.698 2.412 ( 0.774 3.524 3.010) 4.698 2.668 ( 11.331 0.341 -0.917) 11.374 2.668 ( 11.331 0.341 0.917) 11.374 2.887 ( -0.579 -5.332 -0.681) 5.406 2.887 ( -0.579 -5.332 0.681) 5.406 3.029 ( 0.307 2.064 -1.326) 2.472 3.029 ( 0.307 2.064 1.326) 2.472 3.165 ( -0.408 0.613 -0.788) 1.078 3.165 ( -0.408 0.613 0.788) 1.078 3.271 ( 0.121 1.183 -0.535) 1.304 3.271 ( 0.121 1.183 0.535) 1.304 3.309 ( -0.095 3.781 -0.801) 3.866 3.309 ( -0.095 3.781 0.801) 3.866 3.547 ( 8.736 -7.113 -0.281) 11.269 3.547 ( 8.736 -7.113 0.281) 11.269 4.594 ( 1.058 16.874 -1.723) 16.995 4.594 ( 1.058 16.874 1.723) 16.995 4.661 ( -3.378 11.219 -2.172) 11.916 4.661 ( -3.378 11.219 2.172) 11.916 4.811 ( -13.313 3.138 -1.532) 13.763 4.811 ( -13.313 3.138 1.532) 13.763 6.178 ( 0.133 -1.676 -1.041) 1.977 6.178 ( 0.133 -1.676 1.041) 1.977 6.246 ( -0.944 1.825 -4.354) 4.815 6.246 ( -0.944 1.825 4.354) 4.815 6.435 ( 0.943 2.400 -2.228) 3.408 6.435 ( 0.943 2.400 2.228) 3.408 6.486 ( 0.391 0.288 -0.872) 0.998 6.486 ( 0.391 0.288 0.872) 0.998 6.595 ( -1.106 1.955 -4.342) 4.889 6.595 ( -1.106 1.955 4.342) 4.889 6.837 ( 3.943 -0.091 -2.883) 4.885 6.837 ( 3.943 -0.091 2.883) 4.885 6.873 ( -3.559 -0.346 -1.671) 3.947 6.873 ( -3.559 -0.346 1.671) 3.947 7.066 ( -1.350 0.632 -0.652) 1.627 7.066 ( -1.350 0.632 0.652) 1.627 7.299 ( 2.440 4.176 -0.851) 4.911 7.299 ( 2.440 4.176 0.851) 4.911 7.463 ( 0.035 0.587 -1.037) 1.192 7.463 ( 0.035 0.587 1.037) 1.192 7.591 ( 1.069 1.667 -0.826) 2.146 7.591 ( 1.069 1.667 0.826) 2.146 7.794 ( -3.731 -1.416 -4.705) 6.169 7.794 ( -3.731 -1.416 4.705) 6.169 7.927 ( 3.552 0.414 -2.583) 4.411 7.927 ( 3.552 0.414 2.583) 4.411 7.974 ( -0.422 0.254 -4.521) 4.548 7.974 ( -0.422 0.254 4.521) 4.548 8.198 ( 5.841 0.056 -3.281) 6.700 8.198 ( 5.841 0.056 3.281) 6.700 8.300 ( 0.615 -1.305 -0.815) 1.657 8.300 ( 0.615 -1.305 0.815) 1.657 8.527 ( -0.606 0.363 -0.406) 0.815 8.527 ( -0.606 0.363 0.406) 0.815 8.692 ( -0.987 -1.257 -0.678) 1.736 8.692 ( -0.987 -1.257 0.678) 1.736 ======================= Grid point 184 (60/63) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 0.753 -0.905 -0.357) 1.230 0.974 ( 0.753 -0.905 0.357) 1.230 1.108 ( -0.288 -3.944 -0.097) 3.955 1.108 ( -0.288 -3.944 0.097) 3.955 1.421 ( 0.410 -1.730 -0.808) 1.953 1.421 ( 0.410 -1.730 0.808) 1.953 1.451 ( -1.022 -1.941 -0.753) 2.319 1.451 ( -1.022 -1.941 0.753) 2.319 2.000 ( 1.704 4.955 -3.222) 6.151 2.000 ( 1.704 4.955 3.222) 6.151 2.055 ( -2.070 7.483 -2.865) 8.276 2.055 ( -2.070 7.483 2.865) 8.276 2.409 ( 0.329 3.904 -0.484) 3.947 2.409 ( 0.329 3.904 0.484) 3.947 2.428 ( 0.437 3.169 -0.974) 3.344 2.428 ( 0.437 3.169 0.974) 3.344 2.843 ( 3.939 -4.888 -1.214) 6.394 2.843 ( 3.939 -4.888 1.214) 6.394 2.877 ( -0.414 -5.827 -1.028) 5.931 2.877 ( -0.414 -5.827 1.028) 5.931 3.073 ( 3.891 5.249 -0.615) 6.563 3.073 ( 3.891 5.249 0.615) 6.563 3.140 ( -2.317 2.524 -0.304) 3.440 3.140 ( -2.317 2.524 0.304) 3.440 3.280 ( 0.652 1.006 -0.371) 1.255 3.280 ( 0.652 1.006 0.371) 1.255 3.303 ( -0.417 2.055 -0.659) 2.198 3.303 ( -0.417 2.055 0.659) 2.198 3.856 ( 22.371 -3.767 -0.770) 22.699 3.856 ( 22.371 -3.767 0.770) 22.699 4.347 ( -24.505 -1.506 -0.864) 24.566 4.347 ( -24.505 -1.506 0.864) 24.566 4.629 ( 1.670 16.640 -2.690) 16.938 4.629 ( 1.670 16.640 2.690) 16.938 4.673 ( -2.171 16.008 -2.928) 16.418 4.673 ( -2.171 16.008 2.928) 16.418 6.187 ( 0.751 0.470 -0.550) 1.043 6.187 ( 0.751 0.470 0.550) 1.043 6.222 ( -1.202 0.106 -1.723) 2.103 6.222 ( -1.202 0.106 1.723) 2.103 6.455 ( 1.299 3.440 -4.075) 5.488 6.455 ( 1.299 3.440 4.075) 5.488 6.484 ( -1.136 3.077 -3.528) 4.817 6.484 ( -1.136 3.077 3.528) 4.817 6.608 ( 2.240 0.023 -1.506) 2.699 6.608 ( 2.240 0.023 1.506) 2.699 6.772 ( -4.246 -2.716 -2.820) 5.775 6.772 ( -4.246 -2.716 2.820) 5.775 6.934 ( 3.866 0.474 -0.602) 3.941 6.934 ( 3.866 0.474 0.602) 3.941 7.025 ( -2.499 0.343 -0.416) 2.556 7.025 ( -2.499 0.343 0.416) 2.556 7.348 ( 1.939 3.172 -0.696) 3.782 7.348 ( 1.939 3.172 0.696) 3.782 7.459 ( -0.425 1.811 -0.910) 2.071 7.459 ( -0.425 1.811 0.910) 2.071 7.607 ( 0.534 0.131 -0.815) 0.983 7.607 ( 0.534 0.131 0.815) 0.983 7.729 ( -2.197 -0.375 -2.969) 3.713 7.729 ( -2.197 -0.375 2.969) 3.713 7.970 ( 0.206 1.490 -1.906) 2.429 7.970 ( 0.206 1.490 1.906) 2.429 7.991 ( 1.757 0.440 -2.068) 2.749 7.991 ( 1.757 0.440 2.068) 2.749 8.302 ( 3.153 0.083 -2.013) 3.742 8.302 ( 3.153 0.083 2.013) 3.742 8.321 ( 1.115 -1.073 -0.230) 1.565 8.321 ( 1.115 -1.073 0.230) 1.565 8.542 ( 3.260 -0.398 -0.392) 3.307 8.542 ( 3.260 -0.398 0.392) 3.307 8.638 ( -4.626 -1.368 -0.217) 4.829 8.638 ( -4.626 -1.368 0.217) 4.829 ======================= Grid point 190 (61/63) ======================= q-point: ( 0.00 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 0.000 0.788 -0.852) 1.161 0.933 ( 0.000 0.788 0.852) 1.161 1.041 ( 0.000 -3.344 -0.705) 3.417 1.041 ( 0.000 -3.344 0.705) 3.417 1.396 ( 0.000 0.235 -0.128) 0.267 1.396 ( 0.000 0.235 0.128) 0.267 1.430 ( 0.000 -2.792 -1.114) 3.006 1.430 ( 0.000 -2.792 1.114) 3.006 1.973 ( 0.000 0.251 -1.595) 1.614 1.973 ( 0.000 0.251 1.595) 1.614 2.318 ( 0.000 5.595 -1.444) 5.778 2.318 ( 0.000 5.595 1.444) 5.778 2.431 ( 0.000 3.629 -1.713) 4.013 2.431 ( 0.000 3.629 1.713) 4.013 2.465 ( 0.000 1.875 -0.226) 1.888 2.465 ( 0.000 1.875 0.226) 1.888 2.531 ( 0.000 -1.598 -0.815) 1.794 2.531 ( 0.000 -1.598 0.815) 1.794 2.769 ( 0.000 -5.462 -0.223) 5.466 2.769 ( 0.000 -5.462 0.223) 5.466 3.092 ( 0.000 4.470 -0.485) 4.497 3.092 ( 0.000 4.470 0.485) 4.497 3.170 ( 0.000 0.526 -0.321) 0.616 3.170 ( 0.000 0.526 0.321) 0.616 3.289 ( 0.000 -1.897 -0.485) 1.958 3.289 ( 0.000 -1.897 0.485) 1.958 3.320 ( 0.000 -3.931 -0.668) 3.988 3.320 ( 0.000 -3.931 0.668) 3.988 3.379 ( 0.000 1.629 -0.259) 1.650 3.379 ( 0.000 1.629 0.259) 1.650 4.819 ( 0.000 4.470 -0.596) 4.510 4.819 ( 0.000 4.470 0.596) 4.510 4.834 ( 0.000 4.498 -0.377) 4.513 4.834 ( 0.000 4.498 0.377) 4.513 4.981 ( 0.000 1.092 -0.892) 1.410 4.981 ( 0.000 1.092 0.892) 1.410 6.131 ( 0.000 -1.242 -0.519) 1.347 6.131 ( 0.000 -1.242 0.519) 1.347 6.314 ( 0.000 2.202 -2.072) 3.024 6.314 ( 0.000 2.202 2.072) 3.024 6.429 ( 0.000 -0.253 -0.818) 0.857 6.429 ( 0.000 -0.253 0.818) 0.857 6.521 ( 0.000 2.058 -1.604) 2.609 6.521 ( 0.000 2.058 1.604) 2.609 6.637 ( 0.000 0.218 -1.052) 1.074 6.637 ( 0.000 0.218 1.052) 1.074 6.824 ( 0.000 2.390 -1.970) 3.097 6.824 ( 0.000 2.390 1.970) 3.097 6.905 ( 0.000 -1.239 -2.114) 2.450 6.905 ( 0.000 -1.239 2.114) 2.450 7.074 ( 0.000 -0.329 -0.030) 0.331 7.074 ( 0.000 -0.329 0.030) 0.331 7.355 ( 0.000 3.009 -0.720) 3.094 7.355 ( 0.000 3.009 0.720) 3.094 7.449 ( 0.000 -1.082 -1.031) 1.494 7.449 ( 0.000 -1.082 1.031) 1.494 7.620 ( 0.000 1.701 -1.190) 2.076 7.620 ( 0.000 1.701 1.190) 2.076 7.778 ( 0.000 -2.558 -1.754) 3.101 7.778 ( 0.000 -2.558 1.754) 3.101 7.903 ( 0.000 0.468 -4.690) 4.713 7.903 ( 0.000 0.468 4.690) 4.713 7.945 ( 0.000 -1.194 -4.595) 4.748 7.945 ( 0.000 -1.194 4.595) 4.748 8.149 ( 0.000 0.114 -1.679) 1.682 8.149 ( 0.000 0.114 1.679) 1.682 8.289 ( 0.000 0.307 -0.542) 0.623 8.289 ( 0.000 0.307 0.542) 0.623 8.540 ( 0.000 0.134 -0.026) 0.136 8.540 ( 0.000 0.134 0.026) 0.136 8.681 ( 0.000 -0.441 -0.387) 0.587 8.681 ( 0.000 -0.441 0.387) 0.587 ======================= Grid point 192 (62/63) ======================= q-point: ( 0.20 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 1.255 0.720 -0.699) 1.606 0.946 ( 1.255 0.720 0.699) 1.606 1.040 ( -0.163 -3.153 -0.567) 3.208 1.040 ( -0.163 -3.153 0.567) 3.208 1.395 ( -0.106 -0.033 -0.209) 0.236 1.395 ( -0.106 -0.033 0.209) 0.236 1.423 ( -0.685 -2.428 -1.023) 2.722 1.423 ( -0.685 -2.428 1.023) 2.722 2.000 ( 2.701 0.763 -1.517) 3.191 2.000 ( 2.701 0.763 1.517) 3.191 2.261 ( -4.083 4.977 -1.560) 6.624 2.261 ( -4.083 4.977 1.560) 6.624 2.462 ( 0.885 2.115 -1.901) 2.979 2.462 ( 0.885 2.115 1.901) 2.979 2.466 ( 0.119 1.783 -0.583) 1.879 2.466 ( 0.119 1.783 0.583) 1.879 2.634 ( 8.079 -1.871 -0.707) 8.323 2.634 ( 8.079 -1.871 0.707) 8.323 2.768 ( -0.097 -4.965 -0.495) 4.991 2.768 ( -0.097 -4.965 0.495) 4.991 3.131 ( 3.455 5.843 -1.275) 6.906 3.131 ( 3.455 5.843 1.275) 6.906 3.182 ( 1.097 1.638 -0.406) 2.013 3.182 ( 1.097 1.638 0.406) 2.013 3.284 ( -0.373 -1.719 -0.332) 1.790 3.284 ( -0.373 -1.719 0.332) 1.790 3.315 ( -0.404 -2.480 -0.888) 2.665 3.315 ( -0.404 -2.480 0.888) 2.665 3.454 ( 9.222 -1.235 -0.257) 9.308 3.454 ( 9.222 -1.235 0.257) 9.308 4.726 ( -12.779 0.451 -0.575) 12.800 4.726 ( -12.779 0.451 0.575) 12.800 4.839 ( 0.828 6.364 -1.042) 6.501 4.839 ( 0.828 6.364 1.042) 6.501 4.913 ( -3.374 3.386 -1.339) 4.964 4.913 ( -3.374 3.386 1.339) 4.964 6.146 ( 1.536 -0.808 -0.637) 1.849 6.146 ( 1.536 -0.808 0.637) 1.849 6.294 ( -1.901 1.844 -1.463) 3.026 6.294 ( -1.901 1.844 1.463) 3.026 6.462 ( 3.212 0.462 -0.416) 3.271 6.462 ( 3.212 0.462 0.416) 3.271 6.520 ( 0.136 1.823 -1.642) 2.457 6.520 ( 0.136 1.823 1.642) 2.457 6.621 ( -1.525 0.555 -1.946) 2.534 6.621 ( -1.525 0.555 1.946) 2.534 6.837 ( -2.765 0.544 -2.883) 4.032 6.837 ( -2.765 0.544 2.883) 4.032 6.872 ( 0.942 -0.426 -2.573) 2.773 6.872 ( 0.942 -0.426 2.573) 2.773 7.066 ( -1.127 -0.260 -0.446) 1.240 7.066 ( -1.127 -0.260 0.446) 1.240 7.373 ( 1.729 2.901 -0.488) 3.412 7.373 ( 1.729 2.901 0.488) 3.412 7.456 ( 0.551 -1.102 -0.941) 1.550 7.456 ( 0.551 -1.102 0.941) 1.550 7.625 ( 0.204 1.511 -0.959) 1.801 7.625 ( 0.204 1.511 0.959) 1.801 7.743 ( -2.940 -2.415 -2.582) 4.598 7.743 ( -2.940 -2.415 2.582) 4.598 7.947 ( 3.497 1.018 -3.657) 5.161 7.947 ( 3.497 1.018 3.657) 5.161 7.968 ( 1.829 -0.697 -4.683) 5.075 7.968 ( 1.829 -0.697 4.683) 5.075 8.182 ( 3.690 -0.825 -1.572) 4.095 8.182 ( 3.690 -0.825 1.572) 4.095 8.301 ( 1.085 0.462 -0.323) 1.223 8.301 ( 1.085 0.462 0.323) 1.223 8.532 ( -0.526 0.163 -0.032) 0.552 8.532 ( -0.526 0.163 0.032) 0.552 8.675 ( -1.046 -0.435 -0.296) 1.171 8.675 ( -1.046 -0.435 0.296) 1.171 ======================= Grid point 194 (63/63) ======================= q-point: ( 0.40 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 1.172 1.014 -0.337) 1.586 0.974 ( 1.172 1.014 0.337) 1.586 1.032 ( -0.490 -3.241 -0.273) 3.289 1.032 ( -0.490 -3.241 0.273) 3.289 1.395 ( 0.143 -0.574 -0.283) 0.656 1.395 ( 0.143 -0.574 0.283) 0.656 1.408 ( -0.606 -1.730 -0.621) 1.935 1.408 ( -0.606 -1.730 0.621) 1.935 2.074 ( 4.504 2.119 -1.307) 5.146 2.074 ( 4.504 2.119 1.307) 5.146 2.171 ( -4.876 3.530 -1.337) 6.166 2.171 ( -4.876 3.530 1.337) 6.166 2.467 ( 0.069 1.753 -0.306) 1.781 2.467 ( 0.069 1.753 0.306) 1.781 2.472 ( 0.177 1.179 -0.600) 1.335 2.472 ( 0.177 1.179 0.600) 1.335 2.741 ( 2.528 -3.437 -0.641) 4.315 2.741 ( 2.528 -3.437 0.641) 4.315 2.764 ( -0.391 -4.129 -0.687) 4.204 2.764 ( -0.391 -4.129 0.687) 4.204 3.181 ( 1.440 3.272 -0.463) 3.604 3.181 ( 1.440 3.272 0.463) 3.604 3.197 ( -0.094 3.611 -0.340) 3.628 3.197 ( -0.094 3.611 0.340) 3.628 3.285 ( 0.470 -0.668 -0.275) 0.862 3.285 ( 0.470 -0.668 0.275) 0.862 3.305 ( -0.475 -1.340 -0.574) 1.534 3.305 ( -0.475 -1.340 0.574) 1.534 3.805 ( 24.919 -1.271 -0.351) 24.954 3.805 ( 24.919 -1.271 0.351) 24.954 4.326 ( -25.448 -0.492 -0.376) 25.456 4.326 ( -25.448 -0.492 0.376) 25.456 4.858 ( 0.917 5.979 -1.145) 6.156 4.858 ( 0.917 5.979 1.145) 6.156 4.880 ( -0.897 4.803 -1.308) 5.058 4.880 ( -0.897 4.803 1.308) 5.058 6.189 ( 2.683 0.173 -0.586) 2.751 6.189 ( 2.683 0.173 0.586) 2.751 6.245 ( -2.824 1.144 -0.443) 3.079 6.245 ( -2.824 1.144 0.443) 3.079 6.523 ( 1.569 2.717 -2.514) 4.020 6.523 ( 1.569 2.717 2.514) 4.020 6.540 ( 1.133 1.831 -1.456) 2.600 6.540 ( 1.133 1.831 1.456) 2.600 6.604 ( 1.856 -0.462 -0.737) 2.049 6.604 ( 1.856 -0.462 0.737) 2.049 6.724 ( -6.329 -1.692 -1.793) 6.792 6.724 ( -6.329 -1.692 1.793) 6.792 6.942 ( 4.112 0.296 -0.208) 4.128 6.942 ( 4.112 0.296 0.208) 4.128 7.023 ( -3.161 -0.363 -0.360) 3.202 7.023 ( -3.161 -0.363 0.360) 3.202 7.411 ( 1.509 2.877 -0.263) 3.259 7.411 ( 1.509 2.877 0.263) 3.259 7.465 ( 0.233 -1.231 -0.517) 1.355 7.465 ( 0.233 -1.231 0.517) 1.355 7.624 ( -0.159 1.822 -1.031) 2.099 7.624 ( -0.159 1.822 1.031) 2.099 7.689 ( -1.846 -2.823 -1.927) 3.884 7.689 ( -1.846 -2.823 1.927) 3.884 7.992 ( 1.089 0.710 -1.640) 2.093 7.992 ( 1.089 0.710 1.640) 2.093 8.003 ( 1.001 0.357 -1.786) 2.078 8.003 ( 1.001 0.357 1.786) 2.078 8.284 ( 4.807 -0.750 -0.867) 4.941 8.284 ( 4.807 -0.750 0.867) 4.941 8.322 ( 0.568 0.204 -0.305) 0.676 8.322 ( 0.568 0.204 0.305) 0.676 8.540 ( 2.209 0.017 -0.081) 2.210 8.540 ( 2.209 0.017 0.081) 2.210 8.621 ( -4.442 -0.398 -0.130) 4.461 8.621 ( -4.442 -0.398 0.130) 4.461 =================== 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 3/18720 10.0 42.936 101.381 78.543 0.000 0.000 0.000 3/18720 20.0 10.423 31.562 16.735 0.000 0.000 0.000 3/18720 30.0 6.326 17.593 8.000 0.000 0.000 0.000 3/18720 40.0 5.093 12.393 5.089 0.000 0.000 0.000 3/18720 50.0 4.455 9.684 3.696 0.000 0.000 0.000 3/18720 60.0 3.976 7.967 2.890 0.000 0.000 0.000 3/18720 70.0 3.574 6.764 2.368 0.000 0.000 0.000 3/18720 80.0 3.231 5.871 2.005 0.000 0.000 0.000 3/18720 90.0 2.939 5.184 1.738 0.000 0.000 -0.000 3/18720 100.0 2.690 4.640 1.535 0.000 0.000 -0.000 3/18720 110.0 2.476 4.200 1.375 0.000 0.000 -0.000 3/18720 120.0 2.292 3.836 1.246 0.000 0.000 -0.000 3/18720 130.0 2.132 3.531 1.140 0.000 0.000 -0.000 3/18720 140.0 1.993 3.271 1.051 0.000 0.000 -0.000 3/18720 150.0 1.870 3.048 0.975 0.000 0.000 -0.000 3/18720 160.0 1.760 2.853 0.910 0.000 0.000 -0.000 3/18720 170.0 1.663 2.682 0.853 0.000 0.000 -0.000 3/18720 180.0 1.576 2.530 0.803 0.000 0.000 -0.000 3/18720 190.0 1.497 2.395 0.759 0.000 0.000 -0.000 3/18720 200.0 1.425 2.274 0.719 0.000 0.000 -0.000 3/18720 210.0 1.360 2.164 0.684 0.000 0.000 -0.000 3/18720 220.0 1.301 2.065 0.651 0.000 0.000 -0.000 3/18720 230.0 1.246 1.975 0.622 0.000 0.000 -0.000 3/18720 240.0 1.196 1.892 0.595 0.000 0.000 -0.000 3/18720 250.0 1.150 1.816 0.571 0.000 0.000 -0.000 3/18720 260.0 1.107 1.745 0.549 0.000 0.000 -0.000 3/18720 270.0 1.067 1.680 0.528 0.000 0.000 -0.000 3/18720 280.0 1.030 1.620 0.509 0.000 0.000 -0.000 3/18720 290.0 0.996 1.564 0.491 0.000 0.000 -0.000 3/18720 300.0 0.963 1.512 0.474 0.000 0.000 -0.000 3/18720 310.0 0.933 1.463 0.458 0.000 0.000 -0.000 3/18720 320.0 0.904 1.417 0.444 0.000 0.000 -0.000 3/18720 330.0 0.877 1.374 0.430 0.000 0.000 -0.000 3/18720 340.0 0.852 1.333 0.417 0.000 0.000 -0.000 3/18720 350.0 0.828 1.295 0.405 0.000 0.000 -0.000 3/18720 360.0 0.806 1.259 0.394 0.000 0.000 -0.000 3/18720 370.0 0.784 1.225 0.383 0.000 0.000 -0.000 3/18720 380.0 0.764 1.193 0.373 0.000 0.000 -0.000 3/18720 390.0 0.745 1.162 0.363 0.000 0.000 -0.000 3/18720 400.0 0.726 1.133 0.354 0.000 0.000 -0.000 3/18720 410.0 0.709 1.106 0.346 0.000 0.000 -0.000 3/18720 420.0 0.692 1.079 0.337 0.000 0.000 -0.000 3/18720 430.0 0.676 1.054 0.329 0.000 0.000 -0.000 3/18720 440.0 0.661 1.030 0.322 0.000 0.000 -0.000 3/18720 450.0 0.647 1.007 0.315 0.000 0.000 -0.000 3/18720 460.0 0.633 0.985 0.308 0.000 0.000 -0.000 3/18720 470.0 0.619 0.964 0.301 0.000 0.000 -0.000 3/18720 480.0 0.607 0.944 0.295 0.000 0.000 -0.000 3/18720 490.0 0.594 0.925 0.289 0.000 0.000 -0.000 3/18720 500.0 0.583 0.907 0.283 0.000 0.000 -0.000 3/18720 510.0 0.571 0.889 0.277 0.000 0.000 -0.000 3/18720 520.0 0.560 0.872 0.272 0.000 0.000 -0.000 3/18720 530.0 0.550 0.855 0.267 0.000 0.000 -0.000 3/18720 540.0 0.540 0.839 0.262 0.000 0.000 -0.000 3/18720 550.0 0.530 0.824 0.257 0.000 0.000 -0.000 3/18720 560.0 0.521 0.809 0.253 0.000 0.000 -0.000 3/18720 570.0 0.512 0.795 0.248 0.000 0.000 -0.000 3/18720 580.0 0.503 0.782 0.244 0.000 0.000 -0.000 3/18720 590.0 0.495 0.768 0.240 0.000 0.000 -0.000 3/18720 600.0 0.486 0.756 0.236 0.000 0.000 -0.000 3/18720 610.0 0.478 0.743 0.232 0.000 0.000 -0.000 3/18720 620.0 0.471 0.731 0.228 0.000 0.000 -0.000 3/18720 630.0 0.463 0.720 0.224 0.000 0.000 -0.000 3/18720 640.0 0.456 0.708 0.221 0.000 0.000 -0.000 3/18720 650.0 0.449 0.697 0.217 0.000 0.000 -0.000 3/18720 660.0 0.442 0.687 0.214 0.000 0.000 -0.000 3/18720 670.0 0.436 0.677 0.211 0.000 0.000 -0.000 3/18720 680.0 0.430 0.667 0.208 0.000 0.000 -0.000 3/18720 690.0 0.423 0.657 0.205 0.000 0.000 -0.000 3/18720 700.0 0.417 0.648 0.202 0.000 0.000 -0.000 3/18720 710.0 0.412 0.639 0.199 0.000 0.000 -0.000 3/18720 720.0 0.406 0.630 0.196 0.000 0.000 -0.000 3/18720 730.0 0.400 0.621 0.194 0.000 0.000 -0.000 3/18720 740.0 0.395 0.613 0.191 0.000 0.000 -0.000 3/18720 750.0 0.390 0.605 0.188 0.000 0.000 -0.000 3/18720 760.0 0.385 0.597 0.186 0.000 0.000 -0.000 3/18720 770.0 0.380 0.589 0.184 0.000 0.000 -0.000 3/18720 780.0 0.375 0.581 0.181 0.000 0.000 -0.000 3/18720 790.0 0.370 0.574 0.179 0.000 0.000 -0.000 3/18720 800.0 0.365 0.567 0.177 0.000 0.000 -0.000 3/18720 810.0 0.361 0.560 0.174 0.000 0.000 -0.000 3/18720 820.0 0.357 0.553 0.172 0.000 0.000 -0.000 3/18720 830.0 0.352 0.546 0.170 0.000 0.000 -0.000 3/18720 840.0 0.348 0.540 0.168 0.000 0.000 -0.000 3/18720 850.0 0.344 0.533 0.166 0.000 0.000 -0.000 3/18720 860.0 0.340 0.527 0.164 0.000 0.000 -0.000 3/18720 870.0 0.336 0.521 0.162 0.000 0.000 -0.000 3/18720 880.0 0.332 0.515 0.161 0.000 0.000 -0.000 3/18720 890.0 0.329 0.510 0.159 0.000 0.000 -0.000 3/18720 900.0 0.325 0.504 0.157 0.000 0.000 -0.000 3/18720 910.0 0.321 0.498 0.155 0.000 0.000 -0.000 3/18720 920.0 0.318 0.493 0.154 0.000 0.000 -0.000 3/18720 930.0 0.315 0.488 0.152 0.000 0.000 -0.000 3/18720 940.0 0.311 0.482 0.150 0.000 0.000 -0.000 3/18720 950.0 0.308 0.477 0.149 0.000 0.000 -0.000 3/18720 960.0 0.305 0.472 0.147 0.000 0.000 -0.000 3/18720 970.0 0.302 0.468 0.146 0.000 0.000 -0.000 3/18720 980.0 0.299 0.463 0.144 0.000 0.000 -0.000 3/18720 990.0 0.296 0.458 0.143 0.000 0.000 -0.000 3/18720 1000.0 0.293 0.454 0.141 0.000 0.000 -0.000 3/18720 Thermal conductivity related properties were written into "kappa-m5134.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:42:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|