----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:39:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.043544940000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.632126900000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.596952609999999 Atomic positions (fractional): *1 O 0.87102477418103 0.75000000000000 0.14132599666980 15.999 2 O 0.62897522581897 0.25000000000000 0.64132599666980 15.999 3 O 0.12897522581897 0.25000000000000 0.85867400333020 15.999 4 O 0.37102477418103 0.75000000000000 0.35867400333020 15.999 *5 O 0.85396361733311 0.25000000000000 0.96672804445099 15.999 6 O 0.64603638266689 0.75000000000000 0.46672804445099 15.999 7 O 0.14603638266689 0.75000000000000 0.03327195554901 15.999 8 O 0.35396361733311 0.25000000000000 0.53327195554901 15.999 *9 O 0.52358735072582 0.46525192939352 0.28016354096771 15.999 10 O 0.97641264927418 0.53474807060648 0.78016354096771 15.999 11 O 0.47641264927418 0.96525192939352 0.71983645903229 15.999 12 O 0.02358735072582 0.03474807060648 0.21983645903229 15.999 *13 O 0.21356479982656 0.94925829543217 0.64017958080687 15.999 14 O 0.28643520017344 0.05074170456783 0.14017958080688 15.999 15 O 0.78643520017344 0.44925829543217 0.35982041919313 15.999 16 O 0.71356479982656 0.55074170456783 0.85982041919313 15.999 17 O 0.78643520017344 0.05074170456783 0.35982041919313 15.999 18 O 0.71356479982656 0.94925829543217 0.85982041919313 15.999 19 O 0.21356479982656 0.55074170456783 0.64017958080687 15.999 20 O 0.28643520017344 0.44925829543217 0.14017958080688 15.999 21 O 0.97641264927418 0.96525192939352 0.78016354096771 15.999 22 O 0.52358735072582 0.03474807060648 0.28016354096771 15.999 23 O 0.02358735072582 0.46525192939352 0.21983645903229 15.999 24 O 0.47641264927418 0.53474807060648 0.71983645903229 15.999 *25 Sr 0.45924073875836 0.25000000000000 0.96018160735158 87.620 26 Sr 0.04075926124164 0.75000000000000 0.46018160735158 87.620 27 Sr 0.54075926124164 0.75000000000000 0.03981839264842 87.620 28 Sr 0.95924073875836 0.25000000000000 0.53981839264842 87.620 *29 Ta 0.35814327514715 0.99593247467794 0.46238853261654 180.948 30 Ta 0.14185672485285 0.00406752532206 0.96238853261654 180.948 31 Ta 0.64185672485285 0.49593247467794 0.53761146738346 180.948 32 Ta 0.85814327514715 0.50406752532206 0.03761146738346 180.948 33 Ta 0.64185672485285 0.00406752532206 0.53761146738346 180.948 34 Ta 0.85814327514715 0.99593247467794 0.03761146738346 180.948 35 Ta 0.35814327514715 0.50406752532206 0.46238853261654 180.948 36 Ta 0.14185672485285 0.49593247467794 0.96238853261654 180.948 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.043544940000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.632126900000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.596952609999999 Atomic positions (fractional): *1 O 0.87102477418103 0.75000000000000 0.14132599666980 15.999 > 1 2 O 0.62897522581897 0.25000000000000 0.64132599666980 15.999 > 2 3 O 0.12897522581897 0.25000000000000 0.85867400333020 15.999 > 3 4 O 0.37102477418103 0.75000000000000 0.35867400333020 15.999 > 4 *5 O 0.85396361733311 0.25000000000000 0.96672804445099 15.999 > 5 6 O 0.64603638266689 0.75000000000000 0.46672804445099 15.999 > 6 7 O 0.14603638266689 0.75000000000000 0.03327195554901 15.999 > 7 8 O 0.35396361733311 0.25000000000000 0.53327195554901 15.999 > 8 *9 O 0.52358735072582 0.46525192939352 0.28016354096771 15.999 > 9 10 O 0.97641264927418 0.53474807060648 0.78016354096771 15.999 > 10 11 O 0.47641264927418 0.96525192939352 0.71983645903229 15.999 > 11 12 O 0.02358735072582 0.03474807060648 0.21983645903229 15.999 > 12 *13 O 0.21356479982656 0.94925829543217 0.64017958080687 15.999 > 13 14 O 0.28643520017344 0.05074170456783 0.14017958080688 15.999 > 14 15 O 0.78643520017344 0.44925829543217 0.35982041919313 15.999 > 15 16 O 0.71356479982656 0.55074170456783 0.85982041919313 15.999 > 16 17 O 0.78643520017344 0.05074170456783 0.35982041919313 15.999 > 17 18 O 0.71356479982656 0.94925829543217 0.85982041919313 15.999 > 18 19 O 0.21356479982656 0.55074170456783 0.64017958080687 15.999 > 19 20 O 0.28643520017344 0.44925829543217 0.14017958080688 15.999 > 20 21 O 0.97641264927418 0.96525192939352 0.78016354096771 15.999 > 21 22 O 0.52358735072582 0.03474807060648 0.28016354096771 15.999 > 22 23 O 0.02358735072582 0.46525192939352 0.21983645903229 15.999 > 23 24 O 0.47641264927418 0.53474807060648 0.71983645903229 15.999 > 24 *25 Sr 0.45924073875836 0.25000000000000 0.96018160735158 87.620 > 25 26 Sr 0.04075926124164 0.75000000000000 0.46018160735158 87.620 > 26 27 Sr 0.54075926124164 0.75000000000000 0.03981839264842 87.620 > 27 28 Sr 0.95924073875836 0.25000000000000 0.53981839264842 87.620 > 28 *29 Ta 0.35814327514715 0.99593247467794 0.46238853261654 180.948 > 29 30 Ta 0.14185672485285 0.00406752532206 0.96238853261654 180.948 > 30 31 Ta 0.64185672485285 0.49593247467794 0.53761146738346 180.948 > 31 32 Ta 0.85814327514715 0.50406752532206 0.03761146738346 180.948 > 32 33 Ta 0.64185672485285 0.00406752532206 0.53761146738346 180.948 > 33 34 Ta 0.85814327514715 0.99593247467794 0.03761146738346 180.948 > 34 35 Ta 0.35814327514715 0.50406752532206 0.46238853261654 180.948 > 35 36 Ta 0.14185672485285 0.49593247467794 0.96238853261654 180.948 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.043544940000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.264253800000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.193905219999998 Atomic positions (fractional): *1 O 0.87102477418103 0.37500000000000 0.07066299833490 15.999 > 1 2 O 0.87102477418103 0.87500000000000 0.07066299833490 15.999 > 1 3 O 0.87102477418103 0.37500000000000 0.57066299833490 15.999 > 1 4 O 0.87102477418103 0.87500000000000 0.57066299833490 15.999 > 1 5 O 0.62897522581897 0.12500000000000 0.32066299833490 15.999 > 2 6 O 0.62897522581897 0.62500000000000 0.32066299833490 15.999 > 2 7 O 0.62897522581897 0.12500000000000 0.82066299833490 15.999 > 2 8 O 0.62897522581897 0.62500000000000 0.82066299833490 15.999 > 2 9 O 0.12897522581897 0.12500000000000 0.42933700166510 15.999 > 3 10 O 0.12897522581897 0.62500000000000 0.42933700166510 15.999 > 3 11 O 0.12897522581897 0.12500000000000 0.92933700166510 15.999 > 3 12 O 0.12897522581897 0.62500000000000 0.92933700166510 15.999 > 3 13 O 0.37102477418103 0.37500000000000 0.17933700166510 15.999 > 4 14 O 0.37102477418103 0.87500000000000 0.17933700166510 15.999 > 4 15 O 0.37102477418103 0.37500000000000 0.67933700166510 15.999 > 4 16 O 0.37102477418103 0.87500000000000 0.67933700166510 15.999 > 4 *17 O 0.85396361733311 0.12500000000000 0.48336402222550 15.999 > 5 18 O 0.85396361733311 0.62500000000000 0.48336402222550 15.999 > 5 19 O 0.85396361733311 0.12500000000000 0.98336402222550 15.999 > 5 20 O 0.85396361733311 0.62500000000000 0.98336402222550 15.999 > 5 21 O 0.64603638266689 0.37500000000000 0.23336402222550 15.999 > 6 22 O 0.64603638266689 0.87500000000000 0.23336402222550 15.999 > 6 23 O 0.64603638266689 0.37500000000000 0.73336402222550 15.999 > 6 24 O 0.64603638266689 0.87500000000000 0.73336402222550 15.999 > 6 25 O 0.14603638266689 0.37500000000000 0.01663597777450 15.999 > 7 26 O 0.14603638266689 0.87500000000000 0.01663597777450 15.999 > 7 27 O 0.14603638266689 0.37500000000000 0.51663597777450 15.999 > 7 28 O 0.14603638266689 0.87500000000000 0.51663597777450 15.999 > 7 29 O 0.35396361733311 0.12500000000000 0.26663597777450 15.999 > 8 30 O 0.35396361733311 0.62500000000000 0.26663597777450 15.999 > 8 31 O 0.35396361733311 0.12500000000000 0.76663597777450 15.999 > 8 32 O 0.35396361733311 0.62500000000000 0.76663597777450 15.999 > 8 *33 O 0.52358735072582 0.23262596469676 0.14008177048385 15.999 > 9 34 O 0.52358735072582 0.73262596469676 0.14008177048385 15.999 > 9 35 O 0.52358735072582 0.23262596469676 0.64008177048385 15.999 > 9 36 O 0.52358735072582 0.73262596469676 0.64008177048385 15.999 > 9 37 O 0.97641264927418 0.26737403530324 0.39008177048385 15.999 > 10 38 O 0.97641264927418 0.76737403530324 0.39008177048385 15.999 > 10 39 O 0.97641264927418 0.26737403530324 0.89008177048385 15.999 > 10 40 O 0.97641264927418 0.76737403530324 0.89008177048385 15.999 > 10 41 O 0.47641264927418 0.48262596469676 0.35991822951615 15.999 > 11 42 O 0.47641264927418 0.98262596469676 0.35991822951615 15.999 > 11 43 O 0.47641264927418 0.48262596469676 0.85991822951615 15.999 > 11 44 O 0.47641264927418 0.98262596469676 0.85991822951615 15.999 > 11 45 O 0.02358735072582 0.01737403530324 0.10991822951615 15.999 > 12 46 O 0.02358735072582 0.51737403530324 0.10991822951615 15.999 > 12 47 O 0.02358735072582 0.01737403530324 0.60991822951615 15.999 > 12 48 O 0.02358735072582 0.51737403530324 0.60991822951615 15.999 > 12 *49 O 0.21356479982656 0.47462914771609 0.32008979040344 15.999 > 13 50 O 0.21356479982656 0.97462914771609 0.32008979040344 15.999 > 13 51 O 0.21356479982656 0.47462914771609 0.82008979040344 15.999 > 13 52 O 0.21356479982656 0.97462914771609 0.82008979040344 15.999 > 13 53 O 0.28643520017344 0.02537085228391 0.07008979040344 15.999 > 14 54 O 0.28643520017344 0.52537085228391 0.07008979040344 15.999 > 14 55 O 0.28643520017344 0.02537085228391 0.57008979040344 15.999 > 14 56 O 0.28643520017344 0.52537085228391 0.57008979040344 15.999 > 14 57 O 0.78643520017344 0.22462914771609 0.17991020959656 15.999 > 15 58 O 0.78643520017344 0.72462914771609 0.17991020959656 15.999 > 15 59 O 0.78643520017344 0.22462914771609 0.67991020959656 15.999 > 15 60 O 0.78643520017344 0.72462914771609 0.67991020959656 15.999 > 15 61 O 0.71356479982656 0.27537085228391 0.42991020959656 15.999 > 16 62 O 0.71356479982656 0.77537085228391 0.42991020959656 15.999 > 16 63 O 0.71356479982656 0.27537085228391 0.92991020959656 15.999 > 16 64 O 0.71356479982656 0.77537085228391 0.92991020959656 15.999 > 16 65 O 0.78643520017344 0.02537085228391 0.17991020959656 15.999 > 17 66 O 0.78643520017344 0.52537085228391 0.17991020959656 15.999 > 17 67 O 0.78643520017344 0.02537085228391 0.67991020959656 15.999 > 17 68 O 0.78643520017344 0.52537085228391 0.67991020959656 15.999 > 17 69 O 0.71356479982656 0.47462914771609 0.42991020959656 15.999 > 18 70 O 0.71356479982656 0.97462914771609 0.42991020959656 15.999 > 18 71 O 0.71356479982656 0.47462914771609 0.92991020959656 15.999 > 18 72 O 0.71356479982656 0.97462914771609 0.92991020959656 15.999 > 18 73 O 0.21356479982656 0.27537085228391 0.32008979040344 15.999 > 19 74 O 0.21356479982656 0.77537085228391 0.32008979040344 15.999 > 19 75 O 0.21356479982656 0.27537085228391 0.82008979040344 15.999 > 19 76 O 0.21356479982656 0.77537085228391 0.82008979040344 15.999 > 19 77 O 0.28643520017344 0.22462914771609 0.07008979040344 15.999 > 20 78 O 0.28643520017344 0.72462914771609 0.07008979040344 15.999 > 20 79 O 0.28643520017344 0.22462914771609 0.57008979040344 15.999 > 20 80 O 0.28643520017344 0.72462914771609 0.57008979040344 15.999 > 20 81 O 0.97641264927418 0.48262596469676 0.39008177048385 15.999 > 21 82 O 0.97641264927418 0.98262596469676 0.39008177048385 15.999 > 21 83 O 0.97641264927418 0.48262596469676 0.89008177048385 15.999 > 21 84 O 0.97641264927418 0.98262596469676 0.89008177048385 15.999 > 21 85 O 0.52358735072582 0.01737403530324 0.14008177048385 15.999 > 22 86 O 0.52358735072582 0.51737403530324 0.14008177048385 15.999 > 22 87 O 0.52358735072582 0.01737403530324 0.64008177048385 15.999 > 22 88 O 0.52358735072582 0.51737403530324 0.64008177048385 15.999 > 22 89 O 0.02358735072582 0.23262596469676 0.10991822951615 15.999 > 23 90 O 0.02358735072582 0.73262596469676 0.10991822951615 15.999 > 23 91 O 0.02358735072582 0.23262596469676 0.60991822951615 15.999 > 23 92 O 0.02358735072582 0.73262596469676 0.60991822951615 15.999 > 23 93 O 0.47641264927418 0.26737403530324 0.35991822951615 15.999 > 24 94 O 0.47641264927418 0.76737403530324 0.35991822951615 15.999 > 24 95 O 0.47641264927418 0.26737403530324 0.85991822951615 15.999 > 24 96 O 0.47641264927418 0.76737403530324 0.85991822951615 15.999 > 24 *97 Sr 0.45924073875836 0.12500000000000 0.48009080367579 87.620 > 25 98 Sr 0.45924073875836 0.62500000000000 0.48009080367579 87.620 > 25 99 Sr 0.45924073875836 0.12500000000000 0.98009080367579 87.620 > 25 100 Sr 0.45924073875836 0.62500000000000 0.98009080367579 87.620 > 25 101 Sr 0.04075926124164 0.37500000000000 0.23009080367579 87.620 > 26 102 Sr 0.04075926124164 0.87500000000000 0.23009080367579 87.620 > 26 103 Sr 0.04075926124164 0.37500000000000 0.73009080367579 87.620 > 26 104 Sr 0.04075926124164 0.87500000000000 0.73009080367579 87.620 > 26 105 Sr 0.54075926124164 0.37500000000000 0.01990919632421 87.620 > 27 106 Sr 0.54075926124164 0.87500000000000 0.01990919632421 87.620 > 27 107 Sr 0.54075926124164 0.37500000000000 0.51990919632421 87.620 > 27 108 Sr 0.54075926124164 0.87500000000000 0.51990919632421 87.620 > 27 109 Sr 0.95924073875836 0.12500000000000 0.26990919632421 87.620 > 28 110 Sr 0.95924073875836 0.62500000000000 0.26990919632421 87.620 > 28 111 Sr 0.95924073875836 0.12500000000000 0.76990919632421 87.620 > 28 112 Sr 0.95924073875836 0.62500000000000 0.76990919632421 87.620 > 28 *113 Ta 0.35814327514715 0.49796623733897 0.23119426630827 180.948 > 29 114 Ta 0.35814327514715 0.99796623733897 0.23119426630827 180.948 > 29 115 Ta 0.35814327514715 0.49796623733897 0.73119426630827 180.948 > 29 116 Ta 0.35814327514715 0.99796623733897 0.73119426630827 180.948 > 29 117 Ta 0.14185672485285 0.00203376266103 0.48119426630827 180.948 > 30 118 Ta 0.14185672485285 0.50203376266103 0.48119426630827 180.948 > 30 119 Ta 0.14185672485285 0.00203376266103 0.98119426630827 180.948 > 30 120 Ta 0.14185672485285 0.50203376266103 0.98119426630827 180.948 > 30 121 Ta 0.64185672485285 0.24796623733897 0.26880573369173 180.948 > 31 122 Ta 0.64185672485285 0.74796623733897 0.26880573369173 180.948 > 31 123 Ta 0.64185672485285 0.24796623733897 0.76880573369173 180.948 > 31 124 Ta 0.64185672485285 0.74796623733897 0.76880573369173 180.948 > 31 125 Ta 0.85814327514715 0.25203376266103 0.01880573369173 180.948 > 32 126 Ta 0.85814327514715 0.75203376266103 0.01880573369173 180.948 > 32 127 Ta 0.85814327514715 0.25203376266103 0.51880573369173 180.948 > 32 128 Ta 0.85814327514715 0.75203376266103 0.51880573369173 180.948 > 32 129 Ta 0.64185672485285 0.00203376266103 0.26880573369173 180.948 > 33 130 Ta 0.64185672485285 0.50203376266103 0.26880573369173 180.948 > 33 131 Ta 0.64185672485285 0.00203376266103 0.76880573369173 180.948 > 33 132 Ta 0.64185672485285 0.50203376266103 0.76880573369173 180.948 > 33 133 Ta 0.85814327514715 0.49796623733897 0.01880573369173 180.948 > 34 134 Ta 0.85814327514715 0.99796623733897 0.01880573369173 180.948 > 34 135 Ta 0.85814327514715 0.49796623733897 0.51880573369173 180.948 > 34 136 Ta 0.85814327514715 0.99796623733897 0.51880573369173 180.948 > 34 137 Ta 0.35814327514715 0.25203376266103 0.23119426630827 180.948 > 35 138 Ta 0.35814327514715 0.75203376266103 0.23119426630827 180.948 > 35 139 Ta 0.35814327514715 0.25203376266103 0.73119426630827 180.948 > 35 140 Ta 0.35814327514715 0.75203376266103 0.73119426630827 180.948 > 35 141 Ta 0.14185672485285 0.24796623733897 0.48119426630827 180.948 > 36 142 Ta 0.14185672485285 0.74796623733897 0.48119426630827 180.948 > 36 143 Ta 0.14185672485285 0.24796623733897 0.98119426630827 180.948 > 36 144 Ta 0.14185672485285 0.74796623733897 0.98119426630827 180.948 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9556315 0.0000000 0.0000000 0.0000000 5.4608128 0.0000000 0.0000000 0.0000000 4.4744842 -------------------------- Born effective charges -------------------------- 1 O -1.5044392 0.0000000 -0.1113928 0.0000000 -6.0733382 0.0000000 -0.2310937 0.0000000 -1.4694934 2 O -1.5044392 0.0000000 0.1113928 0.0000000 -6.0733382 0.0000000 0.2310937 0.0000000 -1.4694934 3 O -1.5044392 0.0000000 -0.1113928 0.0000000 -6.0733382 0.0000000 -0.2310937 0.0000000 -1.4694934 4 O -1.5044392 0.0000000 0.1113928 0.0000000 -6.0733382 0.0000000 0.2310937 0.0000000 -1.4694934 5 O -1.3165599 0.0000000 0.2512982 0.0000000 -6.3808416 0.0000000 0.0500758 0.0000000 -1.4295684 6 O -1.3165599 0.0000000 -0.2512982 0.0000000 -6.3808416 0.0000000 -0.0500758 0.0000000 -1.4295684 7 O -1.3165599 0.0000000 0.2512982 0.0000000 -6.3808416 0.0000000 0.0500758 0.0000000 -1.4295684 8 O -1.3165599 0.0000000 -0.2512982 0.0000000 -6.3808416 0.0000000 -0.0500758 0.0000000 -1.4295684 9 O -3.6275403 -0.0911875 -0.6658411 -0.1376051 -1.7531108 -0.0822411 -0.2803376 -0.2020572 -2.3912887 10 O -3.6275403 -0.0911875 0.6658411 -0.1376051 -1.7531108 0.0822411 0.2803376 0.2020572 -2.3912887 11 O -3.6275403 0.0911875 -0.6658411 0.1376051 -1.7531108 0.0822411 -0.2803376 0.2020572 -2.3912887 12 O -3.6275403 0.0911875 0.6658411 0.1376051 -1.7531108 -0.0822411 0.2803376 -0.2020572 -2.3912887 13 O -3.4424740 -0.2335540 2.1846124 -0.2465504 -1.5337047 -0.1684885 1.9047834 -0.1488342 -3.4072455 14 O -3.4424740 -0.2335540 -2.1846124 -0.2465504 -1.5337047 0.1684885 -1.9047834 0.1488342 -3.4072455 15 O -3.4424740 0.2335540 2.1846124 0.2465504 -1.5337047 0.1684885 1.9047834 0.1488342 -3.4072455 16 O -3.4424740 0.2335540 -2.1846124 0.2465504 -1.5337047 -0.1684885 -1.9047834 -0.1488342 -3.4072455 17 O -3.4424740 -0.2335540 2.1846124 -0.2465504 -1.5337047 -0.1684885 1.9047834 -0.1488342 -3.4072455 18 O -3.4424740 -0.2335540 -2.1846124 -0.2465504 -1.5337047 0.1684885 -1.9047834 0.1488342 -3.4072455 19 O -3.4424740 0.2335540 2.1846124 0.2465504 -1.5337047 0.1684885 1.9047834 0.1488342 -3.4072455 20 O -3.4424740 0.2335540 -2.1846124 0.2465504 -1.5337047 -0.1684885 -1.9047834 -0.1488342 -3.4072455 21 O -3.6275403 0.0911875 0.6658411 0.1376051 -1.7531108 -0.0822411 0.2803376 -0.2020572 -2.3912887 22 O -3.6275403 0.0911875 -0.6658411 0.1376051 -1.7531108 0.0822411 -0.2803376 0.2020572 -2.3912887 23 O -3.6275403 -0.0911875 0.6658411 -0.1376051 -1.7531108 0.0822411 0.2803376 0.2020572 -2.3912887 24 O -3.6275403 -0.0911875 -0.6658411 -0.1376051 -1.7531108 -0.0822411 -0.2803376 -0.2020572 -2.3912887 25 Sr 2.3320465 0.0000000 -0.1980700 0.0000000 2.4833686 0.0000000 -0.2397825 0.0000000 3.2465801 26 Sr 2.3320465 0.0000000 0.1980700 0.0000000 2.4833686 0.0000000 0.2397825 0.0000000 3.2465801 27 Sr 2.3320465 0.0000000 -0.1980700 0.0000000 2.4833686 0.0000000 -0.2397825 0.0000000 3.2465801 28 Sr 2.3320465 0.0000000 0.1980700 0.0000000 2.4833686 0.0000000 0.2397825 0.0000000 3.2465801 29 Ta 7.3144905 0.0081172 0.9529669 -0.1773263 8.2722210 1.3529700 -0.3416145 -0.3892232 5.6247751 30 Ta 7.3144905 0.0081172 -0.9529669 -0.1773263 8.2722210 -1.3529700 0.3416145 0.3892232 5.6247751 31 Ta 7.3144905 -0.0081172 0.9529669 0.1773263 8.2722210 -1.3529700 -0.3416145 0.3892232 5.6247751 32 Ta 7.3144905 -0.0081172 -0.9529669 0.1773263 8.2722210 1.3529700 0.3416145 -0.3892232 5.6247751 33 Ta 7.3144905 0.0081172 0.9529669 -0.1773263 8.2722210 1.3529700 -0.3416145 -0.3892232 5.6247751 34 Ta 7.3144905 0.0081172 -0.9529669 -0.1773263 8.2722210 -1.3529700 0.3416145 0.3892232 5.6247751 35 Ta 7.3144905 -0.0081172 0.9529669 0.1773263 8.2722210 -1.3529700 -0.3416145 0.3892232 5.6247751 36 Ta 7.3144905 -0.0081172 -0.9529669 0.1773263 8.2722210 1.3529700 0.3416145 -0.3892232 5.6247751 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3069 Number of blocks in projector: 3069 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: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 684 / 684 (1) 172 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 612 / 612 (1) 107 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 612 / 612 (1) 107 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 387 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 387 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 387 Use standard eigh solver. Tree of FC basis block matrices: - (3069, 3027), data: False |-- (387, 381), data: True |-- (387, 381), data: True |-- (387, 381), data: True |-- (612, 606), data: False |-- (612, 5), data: (612, 11) @ (11, 5) |-- (112, 107), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (612, 606), data: False |-- (612, 5), data: (612, 11) @ (11, 5) |-- (112, 107), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (684, 672), data: False |-- (684, 12), data: (684, 24) @ (24, 12) |-- (184, 172), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 560 - Time: 1.076 Solver_block: 200 / 560 - Time: 1.047 Solver_block: 300 / 560 - Time: 1.038 Solver_block: 400 / 560 - Time: 1.033 Solver_block: 500 / 560 - Time: 1.036 Solver_block: 560 / 560 - Time: 0.669 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.027 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3069 Number of blocks in projector: 3069 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: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 684 / 684 (1) 172 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 612 / 612 (1) 107 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 612 / 612 (1) 107 eigenvectors found. (1) Complementary block size: 11 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 387 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 387 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 387 Use standard eigh solver. Tree of FC basis block matrices: - (3069, 3027), data: False |-- (387, 381), data: True |-- (387, 381), data: True |-- (387, 381), data: True |-- (612, 606), data: False |-- (612, 5), data: (612, 11) @ (11, 5) |-- (112, 107), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (612, 606), data: False |-- (612, 5), data: (612, 11) @ (11, 5) |-- (112, 107), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (684, 672), data: False |-- (684, 12), data: (684, 24) @ (24, 12) |-- (184, 172), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (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 03:40:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:40:26]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.043544940000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.632126900000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.596952609999999 Atomic positions (fractional): 1 O 0.87102477418103 0.75000000000000 0.14132599666980 15.999 2 O 0.62897522581897 0.25000000000000 0.64132599666980 15.999 3 O 0.12897522581897 0.25000000000000 0.85867400333020 15.999 4 O 0.37102477418103 0.75000000000000 0.35867400333020 15.999 5 O 0.85396361733311 0.25000000000000 0.96672804445099 15.999 6 O 0.64603638266689 0.75000000000000 0.46672804445099 15.999 7 O 0.14603638266689 0.75000000000000 0.03327195554901 15.999 8 O 0.35396361733311 0.25000000000000 0.53327195554901 15.999 9 O 0.52358735072582 0.46525192939352 0.28016354096771 15.999 10 O 0.97641264927418 0.53474807060648 0.78016354096771 15.999 11 O 0.47641264927418 0.96525192939352 0.71983645903229 15.999 12 O 0.02358735072582 0.03474807060648 0.21983645903229 15.999 13 O 0.21356479982656 0.94925829543217 0.64017958080687 15.999 14 O 0.28643520017344 0.05074170456783 0.14017958080688 15.999 15 O 0.78643520017344 0.44925829543217 0.35982041919313 15.999 16 O 0.71356479982656 0.55074170456783 0.85982041919313 15.999 17 O 0.78643520017344 0.05074170456783 0.35982041919313 15.999 18 O 0.71356479982656 0.94925829543217 0.85982041919313 15.999 19 O 0.21356479982656 0.55074170456783 0.64017958080687 15.999 20 O 0.28643520017344 0.44925829543217 0.14017958080688 15.999 21 O 0.97641264927418 0.96525192939352 0.78016354096771 15.999 22 O 0.52358735072582 0.03474807060648 0.28016354096771 15.999 23 O 0.02358735072582 0.46525192939352 0.21983645903229 15.999 24 O 0.47641264927418 0.53474807060648 0.71983645903229 15.999 25 Sr 0.45924073875836 0.25000000000000 0.96018160735158 87.620 26 Sr 0.04075926124164 0.75000000000000 0.46018160735158 87.620 27 Sr 0.54075926124164 0.75000000000000 0.03981839264842 87.620 28 Sr 0.95924073875836 0.25000000000000 0.53981839264842 87.620 29 Ta 0.35814327514715 0.99593247467794 0.46238853261654 180.948 30 Ta 0.14185672485285 0.00406752532206 0.96238853261654 180.948 31 Ta 0.64185672485285 0.49593247467794 0.53761146738346 180.948 32 Ta 0.85814327514715 0.50406752532206 0.03761146738346 180.948 33 Ta 0.64185672485285 0.00406752532206 0.53761146738346 180.948 34 Ta 0.85814327514715 0.99593247467794 0.03761146738346 180.948 35 Ta 0.35814327514715 0.50406752532206 0.46238853261654 180.948 36 Ta 0.14185672485285 0.49593247467794 0.96238853261654 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.043544940000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.264253800000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.193905219999998 Atomic positions (fractional): 1 O 0.87102477418103 0.37500000000000 0.07066299833490 15.999 > 1 2 O 0.87102477418103 0.87500000000000 0.07066299833490 15.999 > 1 3 O 0.87102477418103 0.37500000000000 0.57066299833490 15.999 > 1 4 O 0.87102477418103 0.87500000000000 0.57066299833490 15.999 > 1 5 O 0.62897522581897 0.12500000000000 0.32066299833490 15.999 > 5 6 O 0.62897522581897 0.62500000000000 0.32066299833490 15.999 > 5 7 O 0.62897522581897 0.12500000000000 0.82066299833490 15.999 > 5 8 O 0.62897522581897 0.62500000000000 0.82066299833490 15.999 > 5 9 O 0.12897522581897 0.12500000000000 0.42933700166510 15.999 > 9 10 O 0.12897522581897 0.62500000000000 0.42933700166510 15.999 > 9 11 O 0.12897522581897 0.12500000000000 0.92933700166510 15.999 > 9 12 O 0.12897522581897 0.62500000000000 0.92933700166510 15.999 > 9 13 O 0.37102477418103 0.37500000000000 0.17933700166510 15.999 > 13 14 O 0.37102477418103 0.87500000000000 0.17933700166510 15.999 > 13 15 O 0.37102477418103 0.37500000000000 0.67933700166510 15.999 > 13 16 O 0.37102477418103 0.87500000000000 0.67933700166510 15.999 > 13 17 O 0.85396361733311 0.12500000000000 0.48336402222550 15.999 > 17 18 O 0.85396361733311 0.62500000000000 0.48336402222550 15.999 > 17 19 O 0.85396361733311 0.12500000000000 0.98336402222550 15.999 > 17 20 O 0.85396361733311 0.62500000000000 0.98336402222550 15.999 > 17 21 O 0.64603638266689 0.37500000000000 0.23336402222550 15.999 > 21 22 O 0.64603638266689 0.87500000000000 0.23336402222550 15.999 > 21 23 O 0.64603638266689 0.37500000000000 0.73336402222550 15.999 > 21 24 O 0.64603638266689 0.87500000000000 0.73336402222550 15.999 > 21 25 O 0.14603638266689 0.37500000000000 0.01663597777450 15.999 > 25 26 O 0.14603638266689 0.87500000000000 0.01663597777450 15.999 > 25 27 O 0.14603638266689 0.37500000000000 0.51663597777450 15.999 > 25 28 O 0.14603638266689 0.87500000000000 0.51663597777450 15.999 > 25 29 O 0.35396361733311 0.12500000000000 0.26663597777450 15.999 > 29 30 O 0.35396361733311 0.62500000000000 0.26663597777450 15.999 > 29 31 O 0.35396361733311 0.12500000000000 0.76663597777450 15.999 > 29 32 O 0.35396361733311 0.62500000000000 0.76663597777450 15.999 > 29 33 O 0.52358735072582 0.23262596469676 0.14008177048385 15.999 > 33 34 O 0.52358735072582 0.73262596469676 0.14008177048385 15.999 > 33 35 O 0.52358735072582 0.23262596469676 0.64008177048385 15.999 > 33 36 O 0.52358735072582 0.73262596469676 0.64008177048385 15.999 > 33 37 O 0.97641264927418 0.26737403530324 0.39008177048385 15.999 > 37 38 O 0.97641264927418 0.76737403530324 0.39008177048385 15.999 > 37 39 O 0.97641264927418 0.26737403530324 0.89008177048385 15.999 > 37 40 O 0.97641264927418 0.76737403530324 0.89008177048385 15.999 > 37 41 O 0.47641264927418 0.48262596469676 0.35991822951615 15.999 > 41 42 O 0.47641264927418 0.98262596469676 0.35991822951615 15.999 > 41 43 O 0.47641264927418 0.48262596469676 0.85991822951615 15.999 > 41 44 O 0.47641264927418 0.98262596469676 0.85991822951615 15.999 > 41 45 O 0.02358735072582 0.01737403530324 0.10991822951615 15.999 > 45 46 O 0.02358735072582 0.51737403530324 0.10991822951615 15.999 > 45 47 O 0.02358735072582 0.01737403530324 0.60991822951615 15.999 > 45 48 O 0.02358735072582 0.51737403530324 0.60991822951615 15.999 > 45 49 O 0.21356479982656 0.47462914771609 0.32008979040344 15.999 > 49 50 O 0.21356479982656 0.97462914771609 0.32008979040344 15.999 > 49 51 O 0.21356479982656 0.47462914771609 0.82008979040344 15.999 > 49 52 O 0.21356479982656 0.97462914771609 0.82008979040344 15.999 > 49 53 O 0.28643520017344 0.02537085228391 0.07008979040344 15.999 > 53 54 O 0.28643520017344 0.52537085228391 0.07008979040344 15.999 > 53 55 O 0.28643520017344 0.02537085228391 0.57008979040344 15.999 > 53 56 O 0.28643520017344 0.52537085228391 0.57008979040344 15.999 > 53 57 O 0.78643520017344 0.22462914771609 0.17991020959656 15.999 > 57 58 O 0.78643520017344 0.72462914771609 0.17991020959656 15.999 > 57 59 O 0.78643520017344 0.22462914771609 0.67991020959656 15.999 > 57 60 O 0.78643520017344 0.72462914771609 0.67991020959656 15.999 > 57 61 O 0.71356479982656 0.27537085228391 0.42991020959656 15.999 > 61 62 O 0.71356479982656 0.77537085228391 0.42991020959656 15.999 > 61 63 O 0.71356479982656 0.27537085228391 0.92991020959656 15.999 > 61 64 O 0.71356479982656 0.77537085228391 0.92991020959656 15.999 > 61 65 O 0.78643520017344 0.02537085228391 0.17991020959656 15.999 > 65 66 O 0.78643520017344 0.52537085228391 0.17991020959656 15.999 > 65 67 O 0.78643520017344 0.02537085228391 0.67991020959656 15.999 > 65 68 O 0.78643520017344 0.52537085228391 0.67991020959656 15.999 > 65 69 O 0.71356479982656 0.47462914771609 0.42991020959656 15.999 > 69 70 O 0.71356479982656 0.97462914771609 0.42991020959656 15.999 > 69 71 O 0.71356479982656 0.47462914771609 0.92991020959656 15.999 > 69 72 O 0.71356479982656 0.97462914771609 0.92991020959656 15.999 > 69 73 O 0.21356479982656 0.27537085228391 0.32008979040344 15.999 > 73 74 O 0.21356479982656 0.77537085228391 0.32008979040344 15.999 > 73 75 O 0.21356479982656 0.27537085228391 0.82008979040344 15.999 > 73 76 O 0.21356479982656 0.77537085228391 0.82008979040344 15.999 > 73 77 O 0.28643520017344 0.22462914771609 0.07008979040344 15.999 > 77 78 O 0.28643520017344 0.72462914771609 0.07008979040344 15.999 > 77 79 O 0.28643520017344 0.22462914771609 0.57008979040344 15.999 > 77 80 O 0.28643520017344 0.72462914771609 0.57008979040344 15.999 > 77 81 O 0.97641264927418 0.48262596469676 0.39008177048385 15.999 > 81 82 O 0.97641264927418 0.98262596469676 0.39008177048385 15.999 > 81 83 O 0.97641264927418 0.48262596469676 0.89008177048385 15.999 > 81 84 O 0.97641264927418 0.98262596469676 0.89008177048385 15.999 > 81 85 O 0.52358735072582 0.01737403530324 0.14008177048385 15.999 > 85 86 O 0.52358735072582 0.51737403530324 0.14008177048385 15.999 > 85 87 O 0.52358735072582 0.01737403530324 0.64008177048385 15.999 > 85 88 O 0.52358735072582 0.51737403530324 0.64008177048385 15.999 > 85 89 O 0.02358735072582 0.23262596469676 0.10991822951615 15.999 > 89 90 O 0.02358735072582 0.73262596469676 0.10991822951615 15.999 > 89 91 O 0.02358735072582 0.23262596469676 0.60991822951615 15.999 > 89 92 O 0.02358735072582 0.73262596469676 0.60991822951615 15.999 > 89 93 O 0.47641264927418 0.26737403530324 0.35991822951615 15.999 > 93 94 O 0.47641264927418 0.76737403530324 0.35991822951615 15.999 > 93 95 O 0.47641264927418 0.26737403530324 0.85991822951615 15.999 > 93 96 O 0.47641264927418 0.76737403530324 0.85991822951615 15.999 > 93 97 Sr 0.45924073875836 0.12500000000000 0.48009080367579 87.620 > 97 98 Sr 0.45924073875836 0.62500000000000 0.48009080367579 87.620 > 97 99 Sr 0.45924073875836 0.12500000000000 0.98009080367579 87.620 > 97 100 Sr 0.45924073875836 0.62500000000000 0.98009080367579 87.620 > 97 101 Sr 0.04075926124164 0.37500000000000 0.23009080367579 87.620 > 101 102 Sr 0.04075926124164 0.87500000000000 0.23009080367579 87.620 > 101 103 Sr 0.04075926124164 0.37500000000000 0.73009080367579 87.620 > 101 104 Sr 0.04075926124164 0.87500000000000 0.73009080367579 87.620 > 101 105 Sr 0.54075926124164 0.37500000000000 0.01990919632421 87.620 > 105 106 Sr 0.54075926124164 0.87500000000000 0.01990919632421 87.620 > 105 107 Sr 0.54075926124164 0.37500000000000 0.51990919632421 87.620 > 105 108 Sr 0.54075926124164 0.87500000000000 0.51990919632421 87.620 > 105 109 Sr 0.95924073875836 0.12500000000000 0.26990919632421 87.620 > 109 110 Sr 0.95924073875836 0.62500000000000 0.26990919632421 87.620 > 109 111 Sr 0.95924073875836 0.12500000000000 0.76990919632421 87.620 > 109 112 Sr 0.95924073875836 0.62500000000000 0.76990919632421 87.620 > 109 113 Ta 0.35814327514715 0.49796623733897 0.23119426630827 180.948 > 113 114 Ta 0.35814327514715 0.99796623733897 0.23119426630827 180.948 > 113 115 Ta 0.35814327514715 0.49796623733897 0.73119426630827 180.948 > 113 116 Ta 0.35814327514715 0.99796623733897 0.73119426630827 180.948 > 113 117 Ta 0.14185672485285 0.00203376266103 0.48119426630827 180.948 > 117 118 Ta 0.14185672485285 0.50203376266103 0.48119426630827 180.948 > 117 119 Ta 0.14185672485285 0.00203376266103 0.98119426630827 180.948 > 117 120 Ta 0.14185672485285 0.50203376266103 0.98119426630827 180.948 > 117 121 Ta 0.64185672485285 0.24796623733897 0.26880573369173 180.948 > 121 122 Ta 0.64185672485285 0.74796623733897 0.26880573369173 180.948 > 121 123 Ta 0.64185672485285 0.24796623733897 0.76880573369173 180.948 > 121 124 Ta 0.64185672485285 0.74796623733897 0.76880573369173 180.948 > 121 125 Ta 0.85814327514715 0.25203376266103 0.01880573369173 180.948 > 125 126 Ta 0.85814327514715 0.75203376266103 0.01880573369173 180.948 > 125 127 Ta 0.85814327514715 0.25203376266103 0.51880573369173 180.948 > 125 128 Ta 0.85814327514715 0.75203376266103 0.51880573369173 180.948 > 125 129 Ta 0.64185672485285 0.00203376266103 0.26880573369173 180.948 > 129 130 Ta 0.64185672485285 0.50203376266103 0.26880573369173 180.948 > 129 131 Ta 0.64185672485285 0.00203376266103 0.76880573369173 180.948 > 129 132 Ta 0.64185672485285 0.50203376266103 0.76880573369173 180.948 > 129 133 Ta 0.85814327514715 0.49796623733897 0.01880573369173 180.948 > 133 134 Ta 0.85814327514715 0.99796623733897 0.01880573369173 180.948 > 133 135 Ta 0.85814327514715 0.49796623733897 0.51880573369173 180.948 > 133 136 Ta 0.85814327514715 0.99796623733897 0.51880573369173 180.948 > 133 137 Ta 0.35814327514715 0.25203376266103 0.23119426630827 180.948 > 137 138 Ta 0.35814327514715 0.75203376266103 0.23119426630827 180.948 > 137 139 Ta 0.35814327514715 0.25203376266103 0.73119426630827 180.948 > 137 140 Ta 0.35814327514715 0.75203376266103 0.73119426630827 180.948 > 137 141 Ta 0.14185672485285 0.24796623733897 0.48119426630827 180.948 > 141 142 Ta 0.14185672485285 0.74796623733897 0.48119426630827 180.948 > 141 143 Ta 0.14185672485285 0.24796623733897 0.98119426630827 180.948 > 141 144 Ta 0.14185672485285 0.74796623733897 0.98119426630827 180.948 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9556315 0.0000000 0.0000000 0.0000000 5.4608128 0.0000000 0.0000000 0.0000000 4.4744842 -------------------------- Born effective charges -------------------------- 1 O -1.5044392 0.0000000 -0.1113928 0.0000000 -6.0733382 0.0000000 -0.2310937 0.0000000 -1.4694934 2 O -1.5044392 0.0000000 0.1113928 0.0000000 -6.0733382 0.0000000 0.2310937 0.0000000 -1.4694934 3 O -1.5044392 0.0000000 -0.1113928 0.0000000 -6.0733382 0.0000000 -0.2310937 0.0000000 -1.4694934 4 O -1.5044392 0.0000000 0.1113928 0.0000000 -6.0733382 0.0000000 0.2310937 0.0000000 -1.4694934 5 O -1.3165599 0.0000000 0.2512982 0.0000000 -6.3808416 0.0000000 0.0500758 0.0000000 -1.4295684 6 O -1.3165599 0.0000000 -0.2512982 0.0000000 -6.3808416 0.0000000 -0.0500758 0.0000000 -1.4295684 7 O -1.3165599 0.0000000 0.2512982 0.0000000 -6.3808416 0.0000000 0.0500758 0.0000000 -1.4295684 8 O -1.3165599 0.0000000 -0.2512982 0.0000000 -6.3808416 0.0000000 -0.0500758 0.0000000 -1.4295684 9 O -3.6275403 -0.0911875 -0.6658411 -0.1376051 -1.7531108 -0.0822411 -0.2803376 -0.2020572 -2.3912887 10 O -3.6275403 -0.0911875 0.6658411 -0.1376051 -1.7531108 0.0822411 0.2803376 0.2020572 -2.3912887 11 O -3.6275403 0.0911875 -0.6658411 0.1376051 -1.7531108 0.0822411 -0.2803376 0.2020572 -2.3912887 12 O -3.6275403 0.0911875 0.6658411 0.1376051 -1.7531108 -0.0822411 0.2803376 -0.2020572 -2.3912887 13 O -3.4424740 -0.2335540 2.1846124 -0.2465504 -1.5337047 -0.1684885 1.9047834 -0.1488342 -3.4072455 14 O -3.4424740 -0.2335540 -2.1846124 -0.2465504 -1.5337047 0.1684885 -1.9047834 0.1488342 -3.4072455 15 O -3.4424740 0.2335540 2.1846124 0.2465504 -1.5337047 0.1684885 1.9047834 0.1488342 -3.4072455 16 O -3.4424740 0.2335540 -2.1846124 0.2465504 -1.5337047 -0.1684885 -1.9047834 -0.1488342 -3.4072455 17 O -3.4424740 -0.2335540 2.1846124 -0.2465504 -1.5337047 -0.1684885 1.9047834 -0.1488342 -3.4072455 18 O -3.4424740 -0.2335540 -2.1846124 -0.2465504 -1.5337047 0.1684885 -1.9047834 0.1488342 -3.4072455 19 O -3.4424740 0.2335540 2.1846124 0.2465504 -1.5337047 0.1684885 1.9047834 0.1488342 -3.4072455 20 O -3.4424740 0.2335540 -2.1846124 0.2465504 -1.5337047 -0.1684885 -1.9047834 -0.1488342 -3.4072455 21 O -3.6275403 0.0911875 0.6658411 0.1376051 -1.7531108 -0.0822411 0.2803376 -0.2020572 -2.3912887 22 O -3.6275403 0.0911875 -0.6658411 0.1376051 -1.7531108 0.0822411 -0.2803376 0.2020572 -2.3912887 23 O -3.6275403 -0.0911875 0.6658411 -0.1376051 -1.7531108 0.0822411 0.2803376 0.2020572 -2.3912887 24 O -3.6275403 -0.0911875 -0.6658411 -0.1376051 -1.7531108 -0.0822411 -0.2803376 -0.2020572 -2.3912887 25 Sr 2.3320465 0.0000000 -0.1980700 0.0000000 2.4833686 0.0000000 -0.2397825 0.0000000 3.2465801 26 Sr 2.3320465 0.0000000 0.1980700 0.0000000 2.4833686 0.0000000 0.2397825 0.0000000 3.2465801 27 Sr 2.3320465 0.0000000 -0.1980700 0.0000000 2.4833686 0.0000000 -0.2397825 0.0000000 3.2465801 28 Sr 2.3320465 0.0000000 0.1980700 0.0000000 2.4833686 0.0000000 0.2397825 0.0000000 3.2465801 29 Ta 7.3144905 0.0081172 0.9529669 -0.1773263 8.2722210 1.3529700 -0.3416145 -0.3892232 5.6247751 30 Ta 7.3144905 0.0081172 -0.9529669 -0.1773263 8.2722210 -1.3529700 0.3416145 0.3892232 5.6247751 31 Ta 7.3144905 -0.0081172 0.9529669 0.1773263 8.2722210 -1.3529700 -0.3416145 0.3892232 5.6247751 32 Ta 7.3144905 -0.0081172 -0.9529669 0.1773263 8.2722210 1.3529700 0.3416145 -0.3892232 5.6247751 33 Ta 7.3144905 0.0081172 0.9529669 -0.1773263 8.2722210 1.3529700 -0.3416145 -0.3892232 5.6247751 34 Ta 7.3144905 0.0081172 -0.9529669 -0.1773263 8.2722210 -1.3529700 0.3416145 0.3892232 5.6247751 35 Ta 7.3144905 -0.0081172 0.9529669 0.1773263 8.2722210 -1.3529700 -0.3416145 0.3892232 5.6247751 36 Ta 7.3144905 -0.0081172 -0.9529669 0.1773263 8.2722210 1.3529700 0.3416145 -0.3892232 5.6247751 ---------------------------------------------------------------------------- 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[ 17, 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, 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: -0.00000005 (xxx) -0.00000005 (xxx) -0.00000005 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (yz) -0.00000001 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:41:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:41:06]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.043544940000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.632126900000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.596952609999999 Atomic positions (fractional): 1 O 0.87102477418103 0.75000000000000 0.14132599666980 15.999 2 O 0.62897522581897 0.25000000000000 0.64132599666980 15.999 3 O 0.12897522581897 0.25000000000000 0.85867400333020 15.999 4 O 0.37102477418103 0.75000000000000 0.35867400333020 15.999 5 O 0.85396361733311 0.25000000000000 0.96672804445099 15.999 6 O 0.64603638266689 0.75000000000000 0.46672804445099 15.999 7 O 0.14603638266689 0.75000000000000 0.03327195554901 15.999 8 O 0.35396361733311 0.25000000000000 0.53327195554901 15.999 9 O 0.52358735072582 0.46525192939352 0.28016354096771 15.999 10 O 0.97641264927418 0.53474807060648 0.78016354096771 15.999 11 O 0.47641264927418 0.96525192939352 0.71983645903229 15.999 12 O 0.02358735072582 0.03474807060648 0.21983645903229 15.999 13 O 0.21356479982656 0.94925829543217 0.64017958080687 15.999 14 O 0.28643520017344 0.05074170456783 0.14017958080688 15.999 15 O 0.78643520017344 0.44925829543217 0.35982041919313 15.999 16 O 0.71356479982656 0.55074170456783 0.85982041919313 15.999 17 O 0.78643520017344 0.05074170456783 0.35982041919313 15.999 18 O 0.71356479982656 0.94925829543217 0.85982041919313 15.999 19 O 0.21356479982656 0.55074170456783 0.64017958080687 15.999 20 O 0.28643520017344 0.44925829543217 0.14017958080688 15.999 21 O 0.97641264927418 0.96525192939352 0.78016354096771 15.999 22 O 0.52358735072582 0.03474807060648 0.28016354096771 15.999 23 O 0.02358735072582 0.46525192939352 0.21983645903229 15.999 24 O 0.47641264927418 0.53474807060648 0.71983645903229 15.999 25 Sr 0.45924073875836 0.25000000000000 0.96018160735158 87.620 26 Sr 0.04075926124164 0.75000000000000 0.46018160735158 87.620 27 Sr 0.54075926124164 0.75000000000000 0.03981839264842 87.620 28 Sr 0.95924073875836 0.25000000000000 0.53981839264842 87.620 29 Ta 0.35814327514715 0.99593247467794 0.46238853261654 180.948 30 Ta 0.14185672485285 0.00406752532206 0.96238853261654 180.948 31 Ta 0.64185672485285 0.49593247467794 0.53761146738346 180.948 32 Ta 0.85814327514715 0.50406752532206 0.03761146738346 180.948 33 Ta 0.64185672485285 0.00406752532206 0.53761146738346 180.948 34 Ta 0.85814327514715 0.99593247467794 0.03761146738346 180.948 35 Ta 0.35814327514715 0.50406752532206 0.46238853261654 180.948 36 Ta 0.14185672485285 0.49593247467794 0.96238853261654 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.043544940000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.264253800000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.193905219999998 Atomic positions (fractional): 1 O 0.87102477418103 0.37500000000000 0.07066299833490 15.999 > 1 2 O 0.87102477418103 0.87500000000000 0.07066299833490 15.999 > 1 3 O 0.87102477418103 0.37500000000000 0.57066299833490 15.999 > 1 4 O 0.87102477418103 0.87500000000000 0.57066299833490 15.999 > 1 5 O 0.62897522581897 0.12500000000000 0.32066299833490 15.999 > 5 6 O 0.62897522581897 0.62500000000000 0.32066299833490 15.999 > 5 7 O 0.62897522581897 0.12500000000000 0.82066299833490 15.999 > 5 8 O 0.62897522581897 0.62500000000000 0.82066299833490 15.999 > 5 9 O 0.12897522581897 0.12500000000000 0.42933700166510 15.999 > 9 10 O 0.12897522581897 0.62500000000000 0.42933700166510 15.999 > 9 11 O 0.12897522581897 0.12500000000000 0.92933700166510 15.999 > 9 12 O 0.12897522581897 0.62500000000000 0.92933700166510 15.999 > 9 13 O 0.37102477418103 0.37500000000000 0.17933700166510 15.999 > 13 14 O 0.37102477418103 0.87500000000000 0.17933700166510 15.999 > 13 15 O 0.37102477418103 0.37500000000000 0.67933700166510 15.999 > 13 16 O 0.37102477418103 0.87500000000000 0.67933700166510 15.999 > 13 17 O 0.85396361733311 0.12500000000000 0.48336402222550 15.999 > 17 18 O 0.85396361733311 0.62500000000000 0.48336402222550 15.999 > 17 19 O 0.85396361733311 0.12500000000000 0.98336402222550 15.999 > 17 20 O 0.85396361733311 0.62500000000000 0.98336402222550 15.999 > 17 21 O 0.64603638266689 0.37500000000000 0.23336402222550 15.999 > 21 22 O 0.64603638266689 0.87500000000000 0.23336402222550 15.999 > 21 23 O 0.64603638266689 0.37500000000000 0.73336402222550 15.999 > 21 24 O 0.64603638266689 0.87500000000000 0.73336402222550 15.999 > 21 25 O 0.14603638266689 0.37500000000000 0.01663597777450 15.999 > 25 26 O 0.14603638266689 0.87500000000000 0.01663597777450 15.999 > 25 27 O 0.14603638266689 0.37500000000000 0.51663597777450 15.999 > 25 28 O 0.14603638266689 0.87500000000000 0.51663597777450 15.999 > 25 29 O 0.35396361733311 0.12500000000000 0.26663597777450 15.999 > 29 30 O 0.35396361733311 0.62500000000000 0.26663597777450 15.999 > 29 31 O 0.35396361733311 0.12500000000000 0.76663597777450 15.999 > 29 32 O 0.35396361733311 0.62500000000000 0.76663597777450 15.999 > 29 33 O 0.52358735072582 0.23262596469676 0.14008177048385 15.999 > 33 34 O 0.52358735072582 0.73262596469676 0.14008177048385 15.999 > 33 35 O 0.52358735072582 0.23262596469676 0.64008177048385 15.999 > 33 36 O 0.52358735072582 0.73262596469676 0.64008177048385 15.999 > 33 37 O 0.97641264927418 0.26737403530324 0.39008177048385 15.999 > 37 38 O 0.97641264927418 0.76737403530324 0.39008177048385 15.999 > 37 39 O 0.97641264927418 0.26737403530324 0.89008177048385 15.999 > 37 40 O 0.97641264927418 0.76737403530324 0.89008177048385 15.999 > 37 41 O 0.47641264927418 0.48262596469676 0.35991822951615 15.999 > 41 42 O 0.47641264927418 0.98262596469676 0.35991822951615 15.999 > 41 43 O 0.47641264927418 0.48262596469676 0.85991822951615 15.999 > 41 44 O 0.47641264927418 0.98262596469676 0.85991822951615 15.999 > 41 45 O 0.02358735072582 0.01737403530324 0.10991822951615 15.999 > 45 46 O 0.02358735072582 0.51737403530324 0.10991822951615 15.999 > 45 47 O 0.02358735072582 0.01737403530324 0.60991822951615 15.999 > 45 48 O 0.02358735072582 0.51737403530324 0.60991822951615 15.999 > 45 49 O 0.21356479982656 0.47462914771609 0.32008979040344 15.999 > 49 50 O 0.21356479982656 0.97462914771609 0.32008979040344 15.999 > 49 51 O 0.21356479982656 0.47462914771609 0.82008979040344 15.999 > 49 52 O 0.21356479982656 0.97462914771609 0.82008979040344 15.999 > 49 53 O 0.28643520017344 0.02537085228391 0.07008979040344 15.999 > 53 54 O 0.28643520017344 0.52537085228391 0.07008979040344 15.999 > 53 55 O 0.28643520017344 0.02537085228391 0.57008979040344 15.999 > 53 56 O 0.28643520017344 0.52537085228391 0.57008979040344 15.999 > 53 57 O 0.78643520017344 0.22462914771609 0.17991020959656 15.999 > 57 58 O 0.78643520017344 0.72462914771609 0.17991020959656 15.999 > 57 59 O 0.78643520017344 0.22462914771609 0.67991020959656 15.999 > 57 60 O 0.78643520017344 0.72462914771609 0.67991020959656 15.999 > 57 61 O 0.71356479982656 0.27537085228391 0.42991020959656 15.999 > 61 62 O 0.71356479982656 0.77537085228391 0.42991020959656 15.999 > 61 63 O 0.71356479982656 0.27537085228391 0.92991020959656 15.999 > 61 64 O 0.71356479982656 0.77537085228391 0.92991020959656 15.999 > 61 65 O 0.78643520017344 0.02537085228391 0.17991020959656 15.999 > 65 66 O 0.78643520017344 0.52537085228391 0.17991020959656 15.999 > 65 67 O 0.78643520017344 0.02537085228391 0.67991020959656 15.999 > 65 68 O 0.78643520017344 0.52537085228391 0.67991020959656 15.999 > 65 69 O 0.71356479982656 0.47462914771609 0.42991020959656 15.999 > 69 70 O 0.71356479982656 0.97462914771609 0.42991020959656 15.999 > 69 71 O 0.71356479982656 0.47462914771609 0.92991020959656 15.999 > 69 72 O 0.71356479982656 0.97462914771609 0.92991020959656 15.999 > 69 73 O 0.21356479982656 0.27537085228391 0.32008979040344 15.999 > 73 74 O 0.21356479982656 0.77537085228391 0.32008979040344 15.999 > 73 75 O 0.21356479982656 0.27537085228391 0.82008979040344 15.999 > 73 76 O 0.21356479982656 0.77537085228391 0.82008979040344 15.999 > 73 77 O 0.28643520017344 0.22462914771609 0.07008979040344 15.999 > 77 78 O 0.28643520017344 0.72462914771609 0.07008979040344 15.999 > 77 79 O 0.28643520017344 0.22462914771609 0.57008979040344 15.999 > 77 80 O 0.28643520017344 0.72462914771609 0.57008979040344 15.999 > 77 81 O 0.97641264927418 0.48262596469676 0.39008177048385 15.999 > 81 82 O 0.97641264927418 0.98262596469676 0.39008177048385 15.999 > 81 83 O 0.97641264927418 0.48262596469676 0.89008177048385 15.999 > 81 84 O 0.97641264927418 0.98262596469676 0.89008177048385 15.999 > 81 85 O 0.52358735072582 0.01737403530324 0.14008177048385 15.999 > 85 86 O 0.52358735072582 0.51737403530324 0.14008177048385 15.999 > 85 87 O 0.52358735072582 0.01737403530324 0.64008177048385 15.999 > 85 88 O 0.52358735072582 0.51737403530324 0.64008177048385 15.999 > 85 89 O 0.02358735072582 0.23262596469676 0.10991822951615 15.999 > 89 90 O 0.02358735072582 0.73262596469676 0.10991822951615 15.999 > 89 91 O 0.02358735072582 0.23262596469676 0.60991822951615 15.999 > 89 92 O 0.02358735072582 0.73262596469676 0.60991822951615 15.999 > 89 93 O 0.47641264927418 0.26737403530324 0.35991822951615 15.999 > 93 94 O 0.47641264927418 0.76737403530324 0.35991822951615 15.999 > 93 95 O 0.47641264927418 0.26737403530324 0.85991822951615 15.999 > 93 96 O 0.47641264927418 0.76737403530324 0.85991822951615 15.999 > 93 97 Sr 0.45924073875836 0.12500000000000 0.48009080367579 87.620 > 97 98 Sr 0.45924073875836 0.62500000000000 0.48009080367579 87.620 > 97 99 Sr 0.45924073875836 0.12500000000000 0.98009080367579 87.620 > 97 100 Sr 0.45924073875836 0.62500000000000 0.98009080367579 87.620 > 97 101 Sr 0.04075926124164 0.37500000000000 0.23009080367579 87.620 > 101 102 Sr 0.04075926124164 0.87500000000000 0.23009080367579 87.620 > 101 103 Sr 0.04075926124164 0.37500000000000 0.73009080367579 87.620 > 101 104 Sr 0.04075926124164 0.87500000000000 0.73009080367579 87.620 > 101 105 Sr 0.54075926124164 0.37500000000000 0.01990919632421 87.620 > 105 106 Sr 0.54075926124164 0.87500000000000 0.01990919632421 87.620 > 105 107 Sr 0.54075926124164 0.37500000000000 0.51990919632421 87.620 > 105 108 Sr 0.54075926124164 0.87500000000000 0.51990919632421 87.620 > 105 109 Sr 0.95924073875836 0.12500000000000 0.26990919632421 87.620 > 109 110 Sr 0.95924073875836 0.62500000000000 0.26990919632421 87.620 > 109 111 Sr 0.95924073875836 0.12500000000000 0.76990919632421 87.620 > 109 112 Sr 0.95924073875836 0.62500000000000 0.76990919632421 87.620 > 109 113 Ta 0.35814327514715 0.49796623733897 0.23119426630827 180.948 > 113 114 Ta 0.35814327514715 0.99796623733897 0.23119426630827 180.948 > 113 115 Ta 0.35814327514715 0.49796623733897 0.73119426630827 180.948 > 113 116 Ta 0.35814327514715 0.99796623733897 0.73119426630827 180.948 > 113 117 Ta 0.14185672485285 0.00203376266103 0.48119426630827 180.948 > 117 118 Ta 0.14185672485285 0.50203376266103 0.48119426630827 180.948 > 117 119 Ta 0.14185672485285 0.00203376266103 0.98119426630827 180.948 > 117 120 Ta 0.14185672485285 0.50203376266103 0.98119426630827 180.948 > 117 121 Ta 0.64185672485285 0.24796623733897 0.26880573369173 180.948 > 121 122 Ta 0.64185672485285 0.74796623733897 0.26880573369173 180.948 > 121 123 Ta 0.64185672485285 0.24796623733897 0.76880573369173 180.948 > 121 124 Ta 0.64185672485285 0.74796623733897 0.76880573369173 180.948 > 121 125 Ta 0.85814327514715 0.25203376266103 0.01880573369173 180.948 > 125 126 Ta 0.85814327514715 0.75203376266103 0.01880573369173 180.948 > 125 127 Ta 0.85814327514715 0.25203376266103 0.51880573369173 180.948 > 125 128 Ta 0.85814327514715 0.75203376266103 0.51880573369173 180.948 > 125 129 Ta 0.64185672485285 0.00203376266103 0.26880573369173 180.948 > 129 130 Ta 0.64185672485285 0.50203376266103 0.26880573369173 180.948 > 129 131 Ta 0.64185672485285 0.00203376266103 0.76880573369173 180.948 > 129 132 Ta 0.64185672485285 0.50203376266103 0.76880573369173 180.948 > 129 133 Ta 0.85814327514715 0.49796623733897 0.01880573369173 180.948 > 133 134 Ta 0.85814327514715 0.99796623733897 0.01880573369173 180.948 > 133 135 Ta 0.85814327514715 0.49796623733897 0.51880573369173 180.948 > 133 136 Ta 0.85814327514715 0.99796623733897 0.51880573369173 180.948 > 133 137 Ta 0.35814327514715 0.25203376266103 0.23119426630827 180.948 > 137 138 Ta 0.35814327514715 0.75203376266103 0.23119426630827 180.948 > 137 139 Ta 0.35814327514715 0.25203376266103 0.73119426630827 180.948 > 137 140 Ta 0.35814327514715 0.75203376266103 0.73119426630827 180.948 > 137 141 Ta 0.14185672485285 0.24796623733897 0.48119426630827 180.948 > 141 142 Ta 0.14185672485285 0.74796623733897 0.48119426630827 180.948 > 141 143 Ta 0.14185672485285 0.24796623733897 0.98119426630827 180.948 > 141 144 Ta 0.14185672485285 0.74796623733897 0.98119426630827 180.948 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.9556315 0.0000000 0.0000000 0.0000000 5.4608128 0.0000000 0.0000000 0.0000000 4.4744842 -------------------------- Born effective charges -------------------------- 1 O -1.5044392 0.0000000 -0.1113928 0.0000000 -6.0733382 0.0000000 -0.2310937 0.0000000 -1.4694934 2 O -1.5044392 0.0000000 0.1113928 0.0000000 -6.0733382 0.0000000 0.2310937 0.0000000 -1.4694934 3 O -1.5044392 0.0000000 -0.1113928 0.0000000 -6.0733382 0.0000000 -0.2310937 0.0000000 -1.4694934 4 O -1.5044392 0.0000000 0.1113928 0.0000000 -6.0733382 0.0000000 0.2310937 0.0000000 -1.4694934 5 O -1.3165599 0.0000000 0.2512982 0.0000000 -6.3808416 0.0000000 0.0500758 0.0000000 -1.4295684 6 O -1.3165599 0.0000000 -0.2512982 0.0000000 -6.3808416 0.0000000 -0.0500758 0.0000000 -1.4295684 7 O -1.3165599 0.0000000 0.2512982 0.0000000 -6.3808416 0.0000000 0.0500758 0.0000000 -1.4295684 8 O -1.3165599 0.0000000 -0.2512982 0.0000000 -6.3808416 0.0000000 -0.0500758 0.0000000 -1.4295684 9 O -3.6275403 -0.0911875 -0.6658411 -0.1376051 -1.7531108 -0.0822411 -0.2803376 -0.2020572 -2.3912887 10 O -3.6275403 -0.0911875 0.6658411 -0.1376051 -1.7531108 0.0822411 0.2803376 0.2020572 -2.3912887 11 O -3.6275403 0.0911875 -0.6658411 0.1376051 -1.7531108 0.0822411 -0.2803376 0.2020572 -2.3912887 12 O -3.6275403 0.0911875 0.6658411 0.1376051 -1.7531108 -0.0822411 0.2803376 -0.2020572 -2.3912887 13 O -3.4424740 -0.2335540 2.1846124 -0.2465504 -1.5337047 -0.1684885 1.9047834 -0.1488342 -3.4072455 14 O -3.4424740 -0.2335540 -2.1846124 -0.2465504 -1.5337047 0.1684885 -1.9047834 0.1488342 -3.4072455 15 O -3.4424740 0.2335540 2.1846124 0.2465504 -1.5337047 0.1684885 1.9047834 0.1488342 -3.4072455 16 O -3.4424740 0.2335540 -2.1846124 0.2465504 -1.5337047 -0.1684885 -1.9047834 -0.1488342 -3.4072455 17 O -3.4424740 -0.2335540 2.1846124 -0.2465504 -1.5337047 -0.1684885 1.9047834 -0.1488342 -3.4072455 18 O -3.4424740 -0.2335540 -2.1846124 -0.2465504 -1.5337047 0.1684885 -1.9047834 0.1488342 -3.4072455 19 O -3.4424740 0.2335540 2.1846124 0.2465504 -1.5337047 0.1684885 1.9047834 0.1488342 -3.4072455 20 O -3.4424740 0.2335540 -2.1846124 0.2465504 -1.5337047 -0.1684885 -1.9047834 -0.1488342 -3.4072455 21 O -3.6275403 0.0911875 0.6658411 0.1376051 -1.7531108 -0.0822411 0.2803376 -0.2020572 -2.3912887 22 O -3.6275403 0.0911875 -0.6658411 0.1376051 -1.7531108 0.0822411 -0.2803376 0.2020572 -2.3912887 23 O -3.6275403 -0.0911875 0.6658411 -0.1376051 -1.7531108 0.0822411 0.2803376 0.2020572 -2.3912887 24 O -3.6275403 -0.0911875 -0.6658411 -0.1376051 -1.7531108 -0.0822411 -0.2803376 -0.2020572 -2.3912887 25 Sr 2.3320465 0.0000000 -0.1980700 0.0000000 2.4833686 0.0000000 -0.2397825 0.0000000 3.2465801 26 Sr 2.3320465 0.0000000 0.1980700 0.0000000 2.4833686 0.0000000 0.2397825 0.0000000 3.2465801 27 Sr 2.3320465 0.0000000 -0.1980700 0.0000000 2.4833686 0.0000000 -0.2397825 0.0000000 3.2465801 28 Sr 2.3320465 0.0000000 0.1980700 0.0000000 2.4833686 0.0000000 0.2397825 0.0000000 3.2465801 29 Ta 7.3144905 0.0081172 0.9529669 -0.1773263 8.2722210 1.3529700 -0.3416145 -0.3892232 5.6247751 30 Ta 7.3144905 0.0081172 -0.9529669 -0.1773263 8.2722210 -1.3529700 0.3416145 0.3892232 5.6247751 31 Ta 7.3144905 -0.0081172 0.9529669 0.1773263 8.2722210 -1.3529700 -0.3416145 0.3892232 5.6247751 32 Ta 7.3144905 -0.0081172 -0.9529669 0.1773263 8.2722210 1.3529700 0.3416145 -0.3892232 5.6247751 33 Ta 7.3144905 0.0081172 0.9529669 -0.1773263 8.2722210 1.3529700 -0.3416145 -0.3892232 5.6247751 34 Ta 7.3144905 0.0081172 -0.9529669 -0.1773263 8.2722210 -1.3529700 0.3416145 0.3892232 5.6247751 35 Ta 7.3144905 -0.0081172 0.9529669 0.1773263 8.2722210 -1.3529700 -0.3416145 0.3892232 5.6247751 36 Ta 7.3144905 -0.0081172 -0.9529669 0.1773263 8.2722210 1.3529700 0.3416145 -0.3892232 5.6247751 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000005 (xxx) -0.00000005 (xxx) -0.00000005 (xxx) 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 7 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 291, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.458 ( 0.000 0.000 0.000) 0.000 1.605 ( 0.000 0.000 0.000) 0.000 1.694 ( 0.000 0.000 0.000) 0.000 1.969 ( 0.000 0.000 0.000) 0.000 2.352 ( 0.000 0.000 0.000) 0.000 2.696 ( 0.000 0.000 0.000) 0.000 2.791 ( 0.000 0.000 0.000) 0.000 2.887 ( 0.000 0.000 0.000) 0.000 2.976 ( 0.000 0.000 0.000) 0.000 3.062 ( 0.000 0.000 0.000) 0.000 3.122 ( 0.000 0.000 0.000) 0.000 3.397 ( 0.000 0.000 0.000) 0.000 3.574 ( 0.000 0.000 0.000) 0.000 3.779 ( 0.000 0.000 0.000) 0.000 4.057 ( 0.000 0.000 0.000) 0.000 4.093 ( 0.000 0.000 0.000) 0.000 4.116 ( 0.000 0.000 0.000) 0.000 4.132 ( 0.000 0.000 0.000) 0.000 4.703 ( 0.000 0.000 0.000) 0.000 4.813 ( 0.000 0.000 0.000) 0.000 4.814 ( 0.000 0.000 0.000) 0.000 4.818 ( 0.000 0.000 0.000) 0.000 4.820 ( 0.000 0.000 0.000) 0.000 4.967 ( 0.000 0.000 0.000) 0.000 4.976 ( 0.000 0.000 0.000) 0.000 5.129 ( 0.000 0.000 0.000) 0.000 5.154 ( 0.000 0.000 0.000) 0.000 5.487 ( 0.000 0.000 0.000) 0.000 5.623 ( 0.000 0.000 0.000) 0.000 5.659 ( 0.000 0.000 0.000) 0.000 5.688 ( 0.000 0.000 0.000) 0.000 5.817 ( 0.000 0.000 0.000) 0.000 5.935 ( 0.000 0.000 0.000) 0.000 5.982 ( 0.000 0.000 0.000) 0.000 6.080 ( 0.000 0.000 0.000) 0.000 6.378 ( 0.000 0.000 0.000) 0.000 6.483 ( 0.000 0.000 0.000) 0.000 6.707 ( 0.000 0.000 0.000) 0.000 7.365 ( 0.000 0.000 0.000) 0.000 7.366 ( 0.000 0.000 0.000) 0.000 7.493 ( 0.000 0.000 0.000) 0.000 7.555 ( 0.000 0.000 0.000) 0.000 7.824 ( 0.000 0.000 0.000) 0.000 8.015 ( 0.000 0.000 0.000) 0.000 8.165 ( 0.000 0.000 0.000) 0.000 8.865 ( 0.000 0.000 0.000) 0.000 9.028 ( 0.000 0.000 0.000) 0.000 9.031 ( 0.000 0.000 0.000) 0.000 9.275 ( 0.000 0.000 0.000) 0.000 9.386 ( 0.000 0.000 0.000) 0.000 9.461 ( 0.000 0.000 0.000) 0.000 9.557 ( 0.000 0.000 0.000) 0.000 9.563 ( 0.000 0.000 0.000) 0.000 9.713 ( 0.000 0.000 0.000) 0.000 9.728 ( 0.000 0.000 0.000) 0.000 9.912 ( 0.000 0.000 0.000) 0.000 10.025 ( 0.000 0.000 0.000) 0.000 10.307 ( 0.000 0.000 0.000) 0.000 10.678 ( 0.000 0.000 0.000) 0.000 10.761 ( 0.000 0.000 0.000) 0.000 10.836 ( 0.000 0.000 0.000) 0.000 10.953 ( 0.000 0.000 0.000) 0.000 11.013 ( 0.000 0.000 0.000) 0.000 11.151 ( 0.000 0.000 0.000) 0.000 11.286 ( 0.000 0.000 0.000) 0.000 11.852 ( 0.000 0.000 0.000) 0.000 11.976 ( 0.000 0.000 0.000) 0.000 12.332 ( 0.000 0.000 0.000) 0.000 12.358 ( 0.000 0.000 0.000) 0.000 12.415 ( 0.000 0.000 0.000) 0.000 12.516 ( 0.000 0.000 0.000) 0.000 13.013 ( 0.000 0.000 0.000) 0.000 13.219 ( 0.000 0.000 0.000) 0.000 13.253 ( 0.000 0.000 0.000) 0.000 13.361 ( 0.000 0.000 0.000) 0.000 13.587 ( 0.000 0.000 0.000) 0.000 13.693 ( 0.000 0.000 0.000) 0.000 13.885 ( 0.000 0.000 0.000) 0.000 13.924 ( 0.000 0.000 0.000) 0.000 14.507 ( 0.000 0.000 0.000) 0.000 14.564 ( 0.000 0.000 0.000) 0.000 15.092 ( 0.000 0.000 0.000) 0.000 15.514 ( 0.000 0.000 0.000) 0.000 15.633 ( 0.000 0.000 0.000) 0.000 16.011 ( 0.000 0.000 0.000) 0.000 16.048 ( 0.000 0.000 0.000) 0.000 16.562 ( 0.000 0.000 0.000) 0.000 16.574 ( 0.000 0.000 0.000) 0.000 18.569 ( 0.000 0.000 0.000) 0.000 18.642 ( 0.000 0.000 0.000) 0.000 18.958 ( 0.000 0.000 0.000) 0.000 19.001 ( 0.000 0.000 0.000) 0.000 19.179 ( 0.000 0.000 0.000) 0.000 19.243 ( 0.000 0.000 0.000) 0.000 19.331 ( 0.000 0.000 0.000) 0.000 19.587 ( 0.000 0.000 0.000) 0.000 19.881 ( 0.000 0.000 0.000) 0.000 19.933 ( 0.000 0.000 0.000) 0.000 21.401 ( 0.000 0.000 0.000) 0.000 24.896 ( 0.000 0.000 0.000) 0.000 25.479 ( 0.000 0.000 0.000) 0.000 25.900 ( 0.000 0.000 0.000) 0.000 25.974 ( 0.000 0.000 0.000) 0.000 26.604 ( 0.000 0.000 0.000) 0.000 26.961 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 26.742 0.000 0.000) 26.742 0.558 ( 30.561 0.000 0.000) 30.561 1.001 ( 52.211 0.000 0.000) 52.211 1.409 ( -5.640 0.000 0.000) 5.640 1.612 ( 0.794 0.000 0.000) 0.794 1.684 ( -1.096 0.000 0.000) 1.096 2.155 ( -18.115 0.000 0.000) 18.115 2.173 ( 19.790 0.000 0.000) 19.790 2.778 ( -1.835 0.000 0.000) 1.835 2.802 ( 11.939 0.000 0.000) 11.939 2.849 ( -0.896 0.000 0.000) 0.896 3.002 ( -6.516 0.000 0.000) 6.516 3.099 ( -3.231 0.000 0.000) 3.231 3.294 ( 10.317 0.000 0.000) 10.317 3.432 ( 3.698 0.000 0.000) 3.698 3.634 ( 5.863 0.000 0.000) 5.863 3.732 ( -4.627 0.000 0.000) 4.627 3.810 ( -22.262 0.000 0.000) 22.262 4.001 ( -12.058 0.000 0.000) 12.058 4.134 ( -0.760 0.000 0.000) 0.760 4.140 ( 2.190 0.000 0.000) 2.190 4.606 ( -13.353 0.000 0.000) 13.353 4.727 ( 2.081 0.000 0.000) 2.081 4.734 ( -4.435 0.000 0.000) 4.435 4.872 ( 5.515 0.000 0.000) 5.515 4.964 ( -0.229 0.000 0.000) 0.229 4.988 ( 6.633 0.000 0.000) 6.633 5.015 ( 1.414 0.000 0.000) 1.414 5.176 ( 4.509 0.000 0.000) 4.509 5.284 ( 0.601 0.000 0.000) 0.601 5.538 ( -2.615 0.000 0.000) 2.615 5.681 ( -1.100 0.000 0.000) 1.100 5.793 ( 8.361 0.000 0.000) 8.361 5.824 ( -2.489 0.000 0.000) 2.489 5.852 ( 8.091 0.000 0.000) 8.091 6.056 ( -3.006 0.000 0.000) 3.006 6.233 ( -5.976 0.000 0.000) 5.976 6.252 ( 19.147 0.000 0.000) 19.147 6.525 ( 9.692 0.000 0.000) 9.692 6.644 ( -6.827 0.000 0.000) 6.827 7.206 ( -13.158 0.000 0.000) 13.158 7.359 ( -18.295 0.000 0.000) 18.295 7.365 ( 0.076 0.000 0.000) 0.076 7.500 ( -2.192 0.000 0.000) 2.192 7.844 ( 4.748 0.000 0.000) 4.748 8.120 ( -3.702 0.000 0.000) 3.702 8.168 ( 10.979 0.000 0.000) 10.979 8.423 ( 5.736 0.000 0.000) 5.736 8.931 ( -9.303 0.000 0.000) 9.303 8.975 ( -5.560 0.000 0.000) 5.560 8.986 ( 12.007 0.000 0.000) 12.007 9.331 ( 5.900 0.000 0.000) 5.900 9.419 ( 4.084 0.000 0.000) 4.084 9.533 ( -2.806 0.000 0.000) 2.806 9.593 ( 2.898 0.000 0.000) 2.898 9.730 ( -0.403 0.000 0.000) 0.403 9.744 ( 2.460 0.000 0.000) 2.460 9.874 ( -6.683 0.000 0.000) 6.683 10.005 ( 0.774 0.000 0.000) 0.774 10.147 ( -13.106 0.000 0.000) 13.106 10.470 ( 5.907 0.000 0.000) 5.907 10.672 ( -0.759 0.000 0.000) 0.759 10.703 ( -4.610 0.000 0.000) 4.610 10.898 ( -4.962 0.000 0.000) 4.962 10.961 ( 9.224 0.000 0.000) 9.224 11.085 ( 8.266 0.000 0.000) 8.266 11.162 ( 0.942 0.000 0.000) 0.942 11.384 ( 8.484 0.000 0.000) 8.484 11.938 ( -3.672 0.000 0.000) 3.672 12.131 ( 0.361 0.000 0.000) 0.361 12.275 ( -8.669 0.000 0.000) 8.669 12.290 ( -4.057 0.000 0.000) 4.057 12.573 ( 5.796 0.000 0.000) 5.796 13.000 ( -5.842 0.000 0.000) 5.842 13.044 ( 3.343 0.000 0.000) 3.343 13.243 ( -1.309 0.000 0.000) 1.309 13.248 ( 2.795 0.000 0.000) 2.795 13.358 ( -0.445 0.000 0.000) 0.445 13.718 ( 2.630 0.000 0.000) 2.630 13.875 ( -1.115 0.000 0.000) 1.115 13.953 ( 3.125 0.000 0.000) 3.125 14.236 ( -3.765 0.000 0.000) 3.765 14.511 ( 0.435 0.000 0.000) 0.435 14.557 ( -0.741 0.000 0.000) 0.741 15.166 ( 8.311 0.000 0.000) 8.311 15.547 ( 3.665 0.000 0.000) 3.665 15.881 ( -9.177 0.000 0.000) 9.177 16.073 ( -4.732 0.000 0.000) 4.732 16.473 ( -5.927 0.000 0.000) 5.927 16.558 ( -1.766 0.000 0.000) 1.766 18.573 ( 0.349 0.000 0.000) 0.349 18.627 ( -1.448 0.000 0.000) 1.448 18.974 ( 1.519 0.000 0.000) 1.519 19.005 ( 0.371 0.000 0.000) 0.371 19.215 ( 3.450 0.000 0.000) 3.450 19.287 ( 4.644 0.000 0.000) 4.644 19.330 ( -0.124 0.000 0.000) 0.124 19.575 ( -1.631 0.000 0.000) 1.631 19.874 ( -0.745 0.000 0.000) 0.745 19.904 ( -2.703 0.000 0.000) 2.703 21.109 ( 3.846 0.000 0.000) 3.846 21.373 ( -3.008 0.000 0.000) 3.008 25.514 ( 3.824 0.000 0.000) 3.824 25.907 ( -6.725 0.000 0.000) 6.725 25.909 ( 1.009 0.000 0.000) 1.009 25.981 ( -0.816 0.000 0.000) 0.816 26.658 ( 5.291 0.000 0.000) 5.291 26.939 ( -2.447 0.000 0.000) 2.447 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 20.477 0.000 0.000) 20.477 1.100 ( 28.893 0.000 0.000) 28.893 1.245 ( -12.664 0.000 0.000) 12.664 1.544 ( -12.455 0.000 0.000) 12.455 1.632 ( 1.379 0.000 0.000) 1.379 1.659 ( -1.528 0.000 0.000) 1.528 2.094 ( 31.473 0.000 0.000) 31.473 2.550 ( 18.888 0.000 0.000) 18.888 2.654 ( -17.731 0.000 0.000) 17.731 2.830 ( -12.372 0.000 0.000) 12.372 2.861 ( 2.099 0.000 0.000) 2.099 2.959 ( -10.366 0.000 0.000) 10.366 3.142 ( 25.242 0.000 0.000) 25.242 3.373 ( 1.141 0.000 0.000) 1.141 3.455 ( -11.482 0.000 0.000) 11.482 3.522 ( 5.864 0.000 0.000) 5.864 3.632 ( -6.037 0.000 0.000) 6.037 3.637 ( -26.400 0.000 0.000) 26.400 3.871 ( 16.756 0.000 0.000) 16.756 4.090 ( -5.486 0.000 0.000) 5.486 4.190 ( 3.846 0.000 0.000) 3.846 4.343 ( -13.922 0.000 0.000) 13.922 4.720 ( 1.843 0.000 0.000) 1.843 4.749 ( -0.344 0.000 0.000) 0.344 4.971 ( 1.299 0.000 0.000) 1.299 4.974 ( 4.915 0.000 0.000) 4.915 5.006 ( -1.925 0.000 0.000) 1.925 5.032 ( -1.072 0.000 0.000) 1.072 5.250 ( 2.858 0.000 0.000) 2.858 5.282 ( -0.884 0.000 0.000) 0.884 5.557 ( 4.025 0.000 0.000) 4.025 5.637 ( -3.805 0.000 0.000) 3.805 5.852 ( 4.865 0.000 0.000) 4.865 5.932 ( 6.748 0.000 0.000) 6.748 5.966 ( -6.594 0.000 0.000) 6.594 6.004 ( 2.142 0.000 0.000) 2.142 6.210 ( 8.616 0.000 0.000) 8.616 6.459 ( -13.563 0.000 0.000) 13.563 6.615 ( 19.887 0.000 0.000) 19.887 6.725 ( 12.783 0.000 0.000) 12.783 6.943 ( -16.036 0.000 0.000) 16.036 7.007 ( -18.542 0.000 0.000) 18.542 7.376 ( 1.473 0.000 0.000) 1.473 7.428 ( -4.277 0.000 0.000) 4.277 7.956 ( 6.281 0.000 0.000) 6.281 8.050 ( -4.174 0.000 0.000) 4.174 8.354 ( 9.654 0.000 0.000) 9.654 8.485 ( -1.950 0.000 0.000) 1.950 8.789 ( -2.534 0.000 0.000) 2.534 8.855 ( -6.839 0.000 0.000) 6.839 9.235 ( 13.816 0.000 0.000) 13.816 9.440 ( -8.137 0.000 0.000) 8.137 9.481 ( 10.336 0.000 0.000) 10.336 9.538 ( 8.730 0.000 0.000) 8.730 9.650 ( 3.073 0.000 0.000) 3.073 9.692 ( -11.479 0.000 0.000) 11.479 9.701 ( -2.526 0.000 0.000) 2.526 9.716 ( -7.720 0.000 0.000) 7.720 9.991 ( -1.417 0.000 0.000) 1.417 10.013 ( -1.137 0.000 0.000) 1.137 10.607 ( 8.760 0.000 0.000) 8.760 10.644 ( -1.306 0.000 0.000) 1.306 10.650 ( -1.348 0.000 0.000) 1.348 10.768 ( -8.549 0.000 0.000) 8.549 11.109 ( 5.913 0.000 0.000) 5.913 11.168 ( -0.906 0.000 0.000) 0.906 11.297 ( 13.414 0.000 0.000) 13.414 11.472 ( -2.580 0.000 0.000) 2.580 11.912 ( 3.951 0.000 0.000) 3.951 12.078 ( -11.801 0.000 0.000) 11.801 12.151 ( 2.059 0.000 0.000) 2.059 12.209 ( -4.268 0.000 0.000) 4.268 12.706 ( 8.472 0.000 0.000) 8.472 12.865 ( -8.553 0.000 0.000) 8.553 13.121 ( 4.708 0.000 0.000) 4.708 13.199 ( -3.534 0.000 0.000) 3.534 13.302 ( 2.803 0.000 0.000) 2.803 13.341 ( -1.493 0.000 0.000) 1.493 13.778 ( 3.697 0.000 0.000) 3.697 13.840 ( -2.822 0.000 0.000) 2.822 14.034 ( 5.662 0.000 0.000) 5.662 14.144 ( -6.029 0.000 0.000) 6.029 14.522 ( 0.844 0.000 0.000) 0.844 14.540 ( -1.031 0.000 0.000) 1.031 15.390 ( 16.016 0.000 0.000) 16.016 15.647 ( 7.511 0.000 0.000) 7.511 15.686 ( -13.626 0.000 0.000) 13.626 15.846 ( -15.314 0.000 0.000) 15.314 16.454 ( 2.572 0.000 0.000) 2.572 16.512 ( -3.149 0.000 0.000) 3.149 18.582 ( 0.709 0.000 0.000) 0.709 18.600 ( -1.321 0.000 0.000) 1.321 19.000 ( 1.078 0.000 0.000) 1.078 19.010 ( -0.038 0.000 0.000) 0.038 19.280 ( 3.155 0.000 0.000) 3.155 19.320 ( -1.236 0.000 0.000) 1.236 19.397 ( 6.951 0.000 0.000) 6.951 19.514 ( -5.265 0.000 0.000) 5.265 19.859 ( -0.628 0.000 0.000) 0.628 19.862 ( -1.280 0.000 0.000) 1.280 21.198 ( 5.567 0.000 0.000) 5.567 21.298 ( -5.096 0.000 0.000) 5.096 25.615 ( 7.123 0.000 0.000) 7.123 25.761 ( -8.643 0.000 0.000) 8.643 25.933 ( 1.533 0.000 0.000) 1.533 25.961 ( -1.414 0.000 0.000) 1.414 26.769 ( 6.325 0.000 0.000) 6.325 26.872 ( -4.838 0.000 0.000) 4.838 ======================= Grid point 5 (4/60) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 0.000 27.108 0.000) 27.108 0.598 ( 0.000 32.306 0.000) 32.306 1.226 ( 0.000 63.443 0.000) 63.443 1.918 ( 0.000 -5.069 0.000) 5.069 1.975 ( 0.000 42.077 0.000) 42.077 2.063 ( 0.000 28.883 0.000) 28.883 2.210 ( 0.000 52.217 0.000) 52.217 2.405 ( 0.000 4.956 0.000) 4.956 2.681 ( 0.000 -1.136 0.000) 1.136 2.806 ( 0.000 1.761 0.000) 1.761 2.919 ( 0.000 3.286 0.000) 3.286 2.954 ( 0.000 -9.630 0.000) 9.630 3.031 ( 0.000 5.981 0.000) 5.981 3.246 ( 0.000 15.584 0.000) 15.584 3.581 ( 0.000 1.321 0.000) 1.321 3.851 ( 0.000 8.293 0.000) 8.293 3.951 ( 0.000 -5.271 0.000) 5.271 4.051 ( 0.000 -2.681 0.000) 2.681 4.181 ( 0.000 4.410 0.000) 4.410 4.211 ( 0.000 7.673 0.000) 7.673 4.223 ( 0.000 7.540 0.000) 7.540 4.784 ( 0.000 -1.726 0.000) 1.726 4.789 ( 0.000 -2.454 0.000) 2.454 4.812 ( 0.000 -0.657 0.000) 0.657 4.831 ( 0.000 1.637 0.000) 1.637 4.867 ( 0.000 -9.773 0.000) 9.773 5.013 ( 0.000 2.798 0.000) 2.798 5.031 ( 0.000 2.009 0.000) 2.009 5.158 ( 0.000 -1.198 0.000) 1.198 5.209 ( 0.000 8.164 0.000) 8.164 5.598 ( 0.000 10.800 0.000) 10.800 5.599 ( 0.000 -2.616 0.000) 2.616 5.610 ( 0.000 -5.143 0.000) 5.143 5.634 ( 0.000 -13.012 0.000) 13.012 5.751 ( 0.000 5.448 0.000) 5.448 6.013 ( 0.000 1.046 0.000) 1.046 6.066 ( 0.000 -1.628 0.000) 1.628 6.416 ( 0.000 3.490 0.000) 3.490 6.560 ( 0.000 10.491 0.000) 10.491 6.744 ( 0.000 4.141 0.000) 4.141 7.282 ( 0.000 -8.110 0.000) 8.110 7.304 ( 0.000 -12.324 0.000) 12.324 7.420 ( 0.000 5.436 0.000) 5.436 7.603 ( 0.000 -1.644 0.000) 1.644 7.883 ( 0.000 4.121 0.000) 4.121 7.962 ( 0.000 -5.848 0.000) 5.848 8.099 ( 0.000 -6.963 0.000) 6.963 8.349 ( 0.000 -24.676 0.000) 24.676 8.521 ( 0.000 -2.881 0.000) 2.881 8.935 ( 0.000 -10.568 0.000) 10.568 9.141 ( 0.000 -13.646 0.000) 13.646 9.267 ( 0.000 -14.921 0.000) 14.921 9.322 ( 0.000 -6.205 0.000) 6.205 9.580 ( 0.000 25.754 0.000) 25.754 9.700 ( 0.000 14.242 0.000) 14.242 9.798 ( 0.000 -5.873 0.000) 5.873 9.830 ( 0.000 9.937 0.000) 9.937 9.922 ( 0.000 8.763 0.000) 8.763 9.939 ( 0.000 -5.909 0.000) 5.909 10.260 ( 0.000 -2.843 0.000) 2.843 10.666 ( 0.000 -1.735 0.000) 1.735 10.817 ( 0.000 -1.332 0.000) 1.332 10.867 ( 0.000 10.276 0.000) 10.276 11.061 ( 0.000 12.346 0.000) 12.346 11.068 ( 0.000 0.394 0.000) 0.394 11.148 ( 0.000 10.469 0.000) 10.469 11.351 ( 0.000 6.439 0.000) 6.439 11.843 ( 0.000 0.338 0.000) 0.338 11.960 ( 0.000 -2.331 0.000) 2.331 12.023 ( 0.000 6.939 0.000) 6.939 12.318 ( 0.000 -1.611 0.000) 1.611 12.377 ( 0.000 -3.839 0.000) 3.839 12.510 ( 0.000 0.049 0.000) 0.049 12.910 ( 0.000 -9.909 0.000) 9.909 12.937 ( 0.000 2.790 0.000) 2.790 13.178 ( 0.000 -4.173 0.000) 4.173 13.208 ( 0.000 -4.301 0.000) 4.301 13.309 ( 0.000 -5.327 0.000) 5.327 13.548 ( 0.000 -3.331 0.000) 3.331 13.796 ( 0.000 8.905 0.000) 8.905 13.817 ( 0.000 -9.829 0.000) 9.829 13.936 ( 0.000 4.339 0.000) 4.339 14.474 ( 0.000 -3.390 0.000) 3.390 14.531 ( 0.000 -3.432 0.000) 3.432 15.225 ( 0.000 2.564 0.000) 2.564 15.591 ( 0.000 -1.073 0.000) 1.073 15.877 ( 0.000 33.423 0.000) 33.423 16.190 ( 0.000 15.632 0.000) 15.632 16.212 ( 0.000 14.317 0.000) 14.317 16.660 ( 0.000 12.669 0.000) 12.669 18.570 ( 0.000 -0.736 0.000) 0.736 18.690 ( 0.000 4.978 0.000) 4.978 18.876 ( 0.000 -6.956 0.000) 6.956 18.970 ( 0.000 -0.208 0.000) 0.208 19.195 ( 0.000 1.638 0.000) 1.638 19.325 ( 0.000 5.819 0.000) 5.819 19.351 ( 0.000 2.164 0.000) 2.164 19.545 ( 0.000 -4.548 0.000) 4.548 19.835 ( 0.000 -4.820 0.000) 4.820 19.884 ( 0.000 -4.891 0.000) 4.891 21.642 ( 0.000 26.465 0.000) 26.465 24.611 ( 0.000 9.738 0.000) 9.738 24.964 ( 0.000 7.405 0.000) 7.405 25.394 ( 0.000 -9.682 0.000) 9.682 25.918 ( 0.000 2.464 0.000) 2.464 25.924 ( 0.000 -5.338 0.000) 5.338 26.546 ( 0.000 -7.327 0.000) 7.327 26.930 ( 0.000 -3.572 0.000) 3.572 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 20.622 23.361 0.000) 31.162 0.969 ( 27.707 21.327 0.000) 34.964 1.447 ( 26.294 48.929 0.000) 55.547 1.849 ( -10.184 33.489 0.000) 35.003 2.109 ( 15.427 -1.952 0.000) 15.550 2.130 ( 3.865 38.479 0.000) 38.673 2.204 ( -7.071 33.624 0.000) 34.359 2.247 ( -4.586 21.862 0.000) 22.338 2.783 ( 11.051 -1.890 0.000) 11.212 2.793 ( -1.769 0.956 0.000) 2.011 2.884 ( 0.397 4.697 0.000) 4.713 2.917 ( -3.952 -6.859 0.000) 7.916 3.224 ( -3.114 15.394 0.000) 15.706 3.261 ( 15.419 2.189 0.000) 15.573 3.567 ( 0.723 3.458 0.000) 3.533 3.751 ( -12.505 2.524 0.000) 12.757 3.865 ( -10.922 10.421 0.000) 15.096 3.886 ( -7.398 6.448 0.000) 9.814 3.989 ( -16.862 1.256 0.000) 16.909 4.199 ( 0.740 6.374 0.000) 6.417 4.212 ( -1.584 6.186 0.000) 6.386 4.606 ( -13.348 0.076 0.000) 13.348 4.714 ( -6.566 -1.902 0.000) 6.836 4.745 ( -1.978 -1.645 0.000) 2.573 4.896 ( 1.049 -6.004 0.000) 6.095 4.937 ( 3.812 -3.202 0.000) 4.978 4.952 ( 2.334 7.214 0.000) 7.582 5.062 ( 2.585 2.587 0.000) 3.658 5.208 ( 0.945 -6.630 0.000) 6.697 5.238 ( 2.558 6.032 0.000) 6.552 5.528 ( -1.138 -1.287 0.000) 1.718 5.655 ( 1.447 -0.243 0.000) 1.467 5.744 ( 8.077 -5.117 0.000) 9.562 5.745 ( 6.662 -5.954 0.000) 8.935 5.899 ( 6.627 1.307 0.000) 6.755 6.062 ( -0.949 0.308 0.000) 0.998 6.117 ( 18.404 -0.583 0.000) 18.413 6.423 ( -5.622 12.703 0.000) 13.892 6.531 ( 6.029 1.984 0.000) 6.347 6.691 ( -5.849 5.112 0.000) 7.768 7.040 ( -15.594 -11.138 0.000) 19.163 7.315 ( -9.356 -6.317 0.000) 11.289 7.418 ( 0.016 5.162 0.000) 5.162 7.553 ( -4.077 1.314 0.000) 4.283 7.892 ( 4.092 4.754 0.000) 6.273 8.070 ( 9.349 -10.094 0.000) 13.758 8.124 ( 0.861 -4.389 0.000) 4.472 8.420 ( 5.860 -25.154 0.000) 25.828 8.474 ( -2.009 -1.820 0.000) 2.711 8.789 ( -12.623 -11.000 0.000) 16.743 9.187 ( 4.924 -13.722 0.000) 14.579 9.281 ( 2.634 -12.342 0.000) 12.620 9.449 ( 8.048 -11.257 0.000) 13.838 9.501 ( -5.135 20.636 0.000) 21.265 9.721 ( -9.298 1.953 0.000) 9.501 9.764 ( 2.833 13.488 0.000) 13.783 9.852 ( 2.075 8.620 0.000) 8.866 9.913 ( 1.006 1.984 0.000) 2.225 9.969 ( 2.717 -0.591 0.000) 2.781 10.136 ( -9.680 1.945 0.000) 9.874 10.687 ( 2.130 0.856 0.000) 2.295 10.780 ( -4.060 6.832 0.000) 7.948 10.940 ( 5.730 0.167 0.000) 5.733 11.036 ( -5.535 8.668 0.000) 10.284 11.042 ( -0.333 15.215 0.000) 15.219 11.174 ( 2.663 8.617 0.000) 9.019 11.333 ( -17.140 31.609 0.000) 35.957 11.435 ( 6.761 4.769 0.000) 8.273 11.926 ( -2.751 -1.809 0.000) 3.292 12.088 ( 1.645 -1.695 0.000) 2.362 12.280 ( -3.702 -0.723 0.000) 3.772 12.309 ( -7.847 1.498 0.000) 7.989 12.565 ( 5.662 -0.430 0.000) 5.678 12.946 ( 3.822 -9.417 0.000) 10.163 12.985 ( -3.610 -0.175 0.000) 3.614 13.158 ( -1.871 -8.180 0.000) 8.391 13.208 ( 2.849 -4.096 0.000) 4.989 13.309 ( -0.174 -5.062 0.000) 5.065 13.793 ( 4.017 3.656 0.000) 5.432 13.840 ( 2.436 -10.052 0.000) 10.343 13.871 ( 11.127 -17.570 0.000) 20.797 13.927 ( -1.032 4.165 0.000) 4.291 14.476 ( 0.282 -3.499 0.000) 3.510 14.522 ( -0.912 -3.561 0.000) 3.676 15.244 ( 5.854 5.515 0.000) 8.043 15.905 ( 3.009 32.751 0.000) 32.889 15.965 ( 25.781 -21.796 0.000) 33.760 16.080 ( -10.920 14.856 0.000) 18.438 16.194 ( -4.025 12.798 0.000) 13.416 16.572 ( -7.501 12.637 0.000) 14.695 18.577 ( 0.684 -0.339 0.000) 0.763 18.662 ( -2.434 3.155 0.000) 3.985 18.905 ( 2.514 -5.060 0.000) 5.650 18.972 ( 0.102 -0.751 0.000) 0.758 19.233 ( 3.599 1.873 0.000) 4.058 19.348 ( -0.335 1.936 0.000) 1.965 19.367 ( 4.360 5.407 0.000) 6.945 19.550 ( 0.271 -4.010 0.000) 4.019 19.833 ( -0.189 -4.371 0.000) 4.375 19.893 ( 0.090 -4.287 0.000) 4.288 21.641 ( 0.242 29.193 0.000) 29.194 22.818 ( -82.523 90.758 0.000) 122.667 25.430 ( 3.914 -9.554 0.000) 10.325 25.721 ( 14.360 -14.045 0.000) 20.087 25.873 ( -3.254 -6.206 0.000) 7.007 25.921 ( 0.363 1.910 0.000) 1.945 26.600 ( 5.586 -6.447 0.000) 8.530 26.906 ( -2.709 -3.804 0.000) 4.670 ======================= Grid point 7 (6/60) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 24.056 14.167 0.000) 27.918 1.332 ( 14.851 26.429 0.000) 30.316 1.640 ( -12.073 31.646 0.000) 33.871 1.712 ( -16.645 19.593 0.000) 25.709 2.167 ( 9.277 38.340 0.000) 39.447 2.180 ( 1.584 44.287 0.000) 44.316 2.280 ( 24.049 25.239 0.000) 34.862 2.514 ( 18.057 -1.436 0.000) 18.114 2.704 ( -10.355 0.004 0.000) 10.355 2.803 ( -10.839 2.130 0.000) 11.047 2.901 ( 3.222 4.141 0.000) 5.246 3.061 ( -15.632 12.968 0.000) 20.311 3.124 ( 24.521 -1.610 0.000) 24.573 3.389 ( 1.457 2.666 0.000) 3.038 3.463 ( -11.007 1.917 0.000) 11.173 3.611 ( -25.477 -2.276 0.000) 25.578 3.677 ( 5.624 12.316 0.000) 13.540 3.765 ( -5.510 12.190 0.000) 13.378 3.883 ( 14.189 1.564 0.000) 14.275 4.142 ( -8.174 4.814 0.000) 9.486 4.227 ( 2.467 4.058 0.000) 4.749 4.343 ( -12.879 0.349 0.000) 12.883 4.665 ( 1.026 -5.504 0.000) 5.599 4.708 ( -2.617 -5.055 0.000) 5.692 4.922 ( 2.226 -2.320 0.000) 3.215 4.958 ( -0.998 -2.996 0.000) 3.158 5.032 ( 4.222 3.829 0.000) 5.700 5.077 ( -0.750 2.330 0.000) 2.448 5.222 ( 1.134 -5.988 0.000) 6.094 5.251 ( -1.361 -0.314 0.000) 1.397 5.570 ( 4.671 1.709 0.000) 4.974 5.644 ( -2.577 2.137 0.000) 3.347 5.875 ( 5.643 -6.520 0.000) 8.623 5.894 ( 6.665 -6.998 0.000) 9.664 5.942 ( 1.415 2.522 0.000) 2.892 6.015 ( -4.206 4.041 0.000) 5.833 6.361 ( 3.790 14.199 0.000) 14.696 6.513 ( 18.289 -4.301 0.000) 18.788 6.530 ( -11.535 7.465 0.000) 13.740 6.717 ( 14.214 -2.287 0.000) 14.396 6.775 ( -13.182 -7.957 0.000) 15.397 7.037 ( -18.688 -3.108 0.000) 18.944 7.429 ( 1.438 4.579 0.000) 4.799 7.478 ( -3.874 3.533 0.000) 5.243 8.004 ( 6.688 4.582 0.000) 8.107 8.098 ( -3.497 2.555 0.000) 4.331 8.267 ( 11.897 -9.717 0.000) 15.361 8.456 ( -4.137 -7.114 0.000) 8.230 8.504 ( 2.715 -25.021 0.000) 25.168 8.561 ( -8.845 -17.746 0.000) 19.828 9.299 ( 6.231 -16.523 0.000) 17.659 9.336 ( 2.171 -15.215 0.000) 15.369 9.443 ( -0.527 15.376 0.000) 15.385 9.523 ( -6.745 2.194 0.000) 7.093 9.587 ( 3.917 -1.166 0.000) 4.087 9.717 ( -7.586 -0.079 0.000) 7.586 9.885 ( 1.481 12.216 0.000) 12.305 9.907 ( -1.029 10.407 0.000) 10.457 10.027 ( 2.091 -0.623 0.000) 2.182 10.040 ( -0.756 6.207 0.000) 6.253 10.720 ( 0.899 6.510 0.000) 6.571 10.730 ( -1.115 8.814 0.000) 8.885 10.930 ( -2.782 19.904 0.000) 20.098 10.938 ( -2.586 11.813 0.000) 12.093 11.122 ( 5.545 7.742 0.000) 9.523 11.185 ( -1.503 9.024 0.000) 9.148 11.331 ( 8.793 4.190 0.000) 9.740 11.478 ( -4.297 0.229 0.000) 4.304 11.940 ( 6.373 2.266 0.000) 6.764 12.111 ( -5.821 3.307 0.000) 6.695 12.140 ( -2.696 -0.713 0.000) 2.789 12.201 ( -4.541 -0.039 0.000) 4.541 12.697 ( 8.489 -0.767 0.000) 8.524 12.858 ( -8.746 -0.303 0.000) 8.751 13.033 ( 5.149 -8.561 0.000) 9.990 13.115 ( -3.524 -8.322 0.000) 9.037 13.262 ( 2.688 -4.135 0.000) 4.932 13.297 ( -1.207 -4.521 0.000) 4.679 13.843 ( 2.762 6.112 0.000) 6.707 13.885 ( -0.345 -0.017 0.000) 0.345 13.910 ( 1.664 -7.113 0.000) 7.305 13.953 ( -0.678 -16.073 0.000) 16.087 14.485 ( 0.728 -3.690 0.000) 3.761 14.502 ( -1.122 -3.718 0.000) 3.884 15.447 ( 16.001 5.193 0.000) 16.823 15.787 ( -19.841 6.779 0.000) 20.967 15.982 ( 5.310 30.216 0.000) 30.679 16.090 ( -6.394 23.712 0.000) 24.559 16.300 ( 11.889 -13.321 0.000) 17.855 16.451 ( -6.222 2.833 0.000) 6.836 18.593 ( 1.126 0.428 0.000) 1.205 18.620 ( -1.946 1.410 0.000) 2.403 18.948 ( 1.867 -3.134 0.000) 3.648 18.969 ( -0.562 -1.821 0.000) 1.906 19.298 ( 3.058 1.908 0.000) 3.604 19.336 ( -1.167 1.724 0.000) 2.082 19.465 ( 5.577 3.285 0.000) 6.473 19.538 ( -2.107 -1.213 0.000) 2.431 19.837 ( 0.908 -2.813 0.000) 2.956 19.869 ( -2.309 -1.869 0.000) 2.971 21.679 ( 5.272 39.714 0.000) 40.062 21.919 ( -25.100 64.334 0.000) 69.056 25.533 ( 7.303 -9.123 0.000) 11.686 25.681 ( -8.425 -8.495 0.000) 11.964 25.910 ( 2.262 -3.652 0.000) 4.296 25.926 ( 0.002 0.117 0.000) 0.117 26.720 ( 6.892 -5.370 0.000) 8.737 26.833 ( -5.295 -4.437 0.000) 6.908 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 0.000 21.489 0.000) 21.489 1.194 ( 0.000 30.976 0.000) 30.976 1.787 ( 0.000 -8.335 0.000) 8.335 2.303 ( 0.000 41.322 0.000) 41.322 2.449 ( 0.000 11.009 0.000) 11.009 2.522 ( 0.000 9.784 0.000) 9.784 2.554 ( 0.000 19.516 0.000) 19.516 2.630 ( 0.000 -17.648 0.000) 17.648 2.632 ( 0.000 -1.823 0.000) 1.823 3.003 ( 0.000 5.697 0.000) 5.697 3.022 ( 0.000 15.584 0.000) 15.584 3.103 ( 0.000 24.056 0.000) 24.056 3.299 ( 0.000 23.269 0.000) 23.269 3.713 ( 0.000 23.924 0.000) 23.924 3.747 ( 0.000 27.183 0.000) 27.183 3.886 ( 0.000 3.296 0.000) 3.296 3.944 ( 0.000 -9.103 0.000) 9.103 4.129 ( 0.000 22.213 0.000) 22.213 4.264 ( 0.000 3.785 0.000) 3.785 4.366 ( 0.000 8.753 0.000) 8.753 4.380 ( 0.000 10.024 0.000) 10.024 4.612 ( 0.000 -18.257 0.000) 18.257 4.751 ( 0.000 -1.182 0.000) 1.182 4.791 ( 0.000 -1.585 0.000) 1.585 4.807 ( 0.000 4.468 0.000) 4.468 4.868 ( 0.000 2.213 0.000) 2.213 5.052 ( 0.000 1.156 0.000) 1.156 5.065 ( 0.000 -9.056 0.000) 9.056 5.096 ( 0.000 4.724 0.000) 4.724 5.371 ( 0.000 -12.685 0.000) 12.685 5.396 ( 0.000 8.505 0.000) 8.505 5.466 ( 0.000 -10.308 0.000) 10.308 5.531 ( 0.000 -2.451 0.000) 2.451 5.807 ( 0.000 1.955 0.000) 1.955 5.821 ( 0.000 -0.254 0.000) 0.254 6.009 ( 0.000 7.463 0.000) 7.463 6.013 ( 0.000 -4.186 0.000) 4.186 6.478 ( 0.000 2.318 0.000) 2.318 6.871 ( 0.000 9.442 0.000) 9.442 6.904 ( 0.000 24.979 0.000) 24.979 7.084 ( 0.000 -10.516 0.000) 10.516 7.106 ( 0.000 -9.361 0.000) 9.361 7.521 ( 0.000 -5.217 0.000) 5.217 7.546 ( 0.000 7.466 0.000) 7.466 7.806 ( 0.000 -10.206 0.000) 10.206 7.806 ( 0.000 -13.639 0.000) 13.639 7.923 ( 0.000 -10.809 0.000) 10.809 8.132 ( 0.000 1.336 0.000) 1.336 8.469 ( 0.000 -3.114 0.000) 3.114 8.627 ( 0.000 -20.729 0.000) 20.729 8.827 ( 0.000 -18.537 0.000) 18.537 8.972 ( 0.000 -16.100 0.000) 16.100 9.201 ( 0.000 -4.973 0.000) 4.973 9.597 ( 0.000 -13.183 0.000) 13.183 9.832 ( 0.000 4.278 0.000) 4.278 9.891 ( 0.000 1.328 0.000) 1.328 9.900 ( 0.000 5.637 0.000) 5.637 10.082 ( 0.000 13.312 0.000) 13.312 10.091 ( 0.000 6.347 0.000) 6.347 10.255 ( 0.000 1.189 0.000) 1.189 10.609 ( 0.000 -3.205 0.000) 3.205 10.850 ( 0.000 7.390 0.000) 7.390 10.948 ( 0.000 -8.760 0.000) 8.760 11.108 ( 0.000 14.111 0.000) 14.111 11.395 ( 0.000 20.438 0.000) 20.438 11.467 ( 0.000 18.011 0.000) 18.011 11.493 ( 0.000 7.474 0.000) 7.474 11.862 ( 0.000 -8.440 0.000) 8.440 11.906 ( 0.000 6.138 0.000) 6.138 12.186 ( 0.000 9.422 0.000) 9.422 12.257 ( 0.000 -6.007 0.000) 6.007 12.283 ( 0.000 -5.546 0.000) 5.546 12.558 ( 0.000 5.769 0.000) 5.769 12.708 ( 0.000 -9.153 0.000) 9.153 12.958 ( 0.000 -2.651 0.000) 2.651 13.078 ( 0.000 -5.682 0.000) 5.682 13.151 ( 0.000 0.967 0.000) 0.967 13.173 ( 0.000 -8.865 0.000) 8.865 13.469 ( 0.000 -5.088 0.000) 5.088 13.581 ( 0.000 -14.718 0.000) 14.718 13.977 ( 0.000 9.821 0.000) 9.821 14.037 ( 0.000 6.043 0.000) 6.043 14.388 ( 0.000 -5.513 0.000) 5.513 14.441 ( 0.000 -5.996 0.000) 5.996 15.290 ( 0.000 4.258 0.000) 4.258 15.544 ( 0.000 -3.439 0.000) 3.439 16.417 ( 0.000 7.573 0.000) 7.573 16.451 ( 0.000 9.059 0.000) 9.059 16.689 ( 0.000 48.900 0.000) 48.900 17.117 ( 0.000 33.787 0.000) 33.787 18.496 ( 0.000 -8.104 0.000) 8.104 18.666 ( 0.000 -16.104 0.000) 16.104 18.822 ( 0.000 8.944 0.000) 8.944 19.055 ( 0.000 9.041 0.000) 9.041 19.239 ( 0.000 3.022 0.000) 3.022 19.395 ( 0.000 1.083 0.000) 1.083 19.411 ( 0.000 4.231 0.000) 4.231 19.418 ( 0.000 -8.829 0.000) 8.829 19.705 ( 0.000 -9.003 0.000) 9.003 19.767 ( 0.000 -7.138 0.000) 7.138 22.392 ( 0.000 51.986 0.000) 51.986 24.860 ( 0.000 16.113 0.000) 16.113 25.081 ( 0.000 -24.799 0.000) 24.799 25.177 ( 0.000 15.224 0.000) 15.224 25.776 ( 0.000 -10.357 0.000) 10.357 26.020 ( 0.000 9.163 0.000) 9.163 26.333 ( 0.000 -15.391 0.000) 15.391 26.810 ( 0.000 -9.618 0.000) 9.618 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 11.737 27.397 0.000) 29.805 1.318 ( 27.599 17.259 0.000) 32.551 2.004 ( 20.391 -7.277 0.000) 21.651 2.326 ( -8.715 15.406 0.000) 17.700 2.344 ( -1.623 14.480 0.000) 14.570 2.450 ( -0.586 41.754 0.000) 41.758 2.596 ( 0.615 -1.792 0.000) 1.895 2.643 ( 4.099 -6.679 0.000) 7.836 2.740 ( 9.893 0.095 0.000) 9.894 2.928 ( -2.568 10.475 0.000) 10.785 3.098 ( -0.576 23.428 0.000) 23.435 3.103 ( 2.758 14.301 0.000) 14.564 3.444 ( 14.880 18.522 0.000) 23.759 3.711 ( -0.469 23.970 0.000) 23.975 3.738 ( -0.097 24.989 0.000) 24.989 3.785 ( -11.779 7.812 0.000) 14.134 3.915 ( -1.733 -2.426 0.000) 2.982 4.041 ( -16.633 12.360 0.000) 20.722 4.144 ( -8.391 15.077 0.000) 17.255 4.320 ( -0.936 5.254 0.000) 5.336 4.363 ( -1.180 10.526 0.000) 10.592 4.585 ( -2.612 -16.823 0.000) 17.024 4.600 ( -13.328 -1.399 0.000) 13.401 4.680 ( -10.672 -0.351 0.000) 10.678 4.826 ( 2.024 0.136 0.000) 2.029 4.873 ( 0.674 -3.956 0.000) 4.013 5.077 ( 1.165 -6.741 0.000) 6.841 5.093 ( 0.849 6.987 0.000) 7.038 5.105 ( 2.021 2.275 0.000) 3.043 5.356 ( -4.038 4.044 0.000) 5.715 5.474 ( 4.072 -5.584 0.000) 6.911 5.481 ( 9.783 -13.614 0.000) 16.765 5.627 ( 6.571 -4.540 0.000) 7.986 5.747 ( -2.484 0.599 0.000) 2.556 5.904 ( 3.404 -4.326 0.000) 5.505 6.043 ( 2.024 -3.246 0.000) 3.826 6.180 ( 18.002 9.177 0.000) 20.206 6.542 ( 6.381 2.352 0.000) 6.801 6.817 ( -7.651 24.948 0.000) 26.095 6.840 ( -3.406 10.788 0.000) 11.312 6.885 ( -11.166 -4.291 0.000) 11.962 7.169 ( -4.637 -8.015 0.000) 9.260 7.504 ( -0.520 -4.976 0.000) 5.003 7.528 ( -1.683 5.926 0.000) 6.160 7.814 ( 4.671 -16.101 0.000) 16.765 7.905 ( 7.686 -10.025 0.000) 12.632 7.960 ( 3.417 -12.123 0.000) 12.596 8.136 ( -0.003 -0.560 0.000) 0.560 8.410 ( -6.103 -4.108 0.000) 7.357 8.501 ( -11.800 -18.363 0.000) 21.827 8.869 ( 4.130 -18.734 0.000) 19.184 8.993 ( 1.424 -16.744 0.000) 16.804 9.292 ( 8.603 -5.234 0.000) 10.070 9.646 ( 3.967 -9.562 0.000) 10.352 9.784 ( -4.744 2.581 0.000) 5.401 9.885 ( -0.371 2.415 0.000) 2.443 9.885 ( -3.805 11.603 0.000) 12.210 9.957 ( -7.434 0.653 0.000) 7.462 10.103 ( 2.006 7.153 0.000) 7.429 10.306 ( 1.604 9.952 0.000) 10.080 10.645 ( 3.772 -3.789 0.000) 5.347 10.834 ( -2.161 2.852 0.000) 3.578 10.961 ( 1.642 -8.182 0.000) 8.345 11.108 ( 0.745 14.318 0.000) 14.337 11.421 ( 3.090 21.893 0.000) 22.110 11.468 ( -0.087 17.856 0.000) 17.857 11.523 ( 1.007 3.518 0.000) 3.659 11.809 ( -9.045 16.941 0.000) 19.205 11.853 ( 1.122 -5.571 0.000) 5.683 12.126 ( -1.203 4.641 0.000) 4.794 12.264 ( 0.293 -2.394 0.000) 2.412 12.306 ( -2.625 -0.499 0.000) 2.672 12.575 ( 2.466 1.599 0.000) 2.939 12.764 ( 5.460 -6.952 0.000) 8.840 12.965 ( -0.941 -9.223 0.000) 9.271 13.031 ( -8.339 1.376 0.000) 8.452 13.109 ( 2.908 -5.684 0.000) 6.385 13.190 ( 0.471 -5.832 0.000) 5.851 13.569 ( 7.138 -11.075 0.000) 13.175 13.599 ( 1.829 -14.838 0.000) 14.951 13.976 ( 0.095 9.417 0.000) 9.417 14.030 ( -0.806 6.223 0.000) 6.275 14.389 ( 0.119 -5.588 0.000) 5.589 14.431 ( -1.025 -6.008 0.000) 6.094 15.346 ( 6.974 5.488 0.000) 8.875 15.696 ( 14.512 -8.817 0.000) 16.980 16.265 ( -15.676 6.774 0.000) 17.076 16.400 ( -5.816 5.171 0.000) 7.782 16.722 ( 3.561 48.449 0.000) 48.580 17.059 ( -5.760 36.602 0.000) 37.053 18.511 ( 1.371 -7.926 0.000) 8.044 18.627 ( -3.126 -11.600 0.000) 12.014 18.871 ( 4.143 5.136 0.000) 6.598 19.035 ( -1.766 7.362 0.000) 7.571 19.285 ( 3.956 3.650 0.000) 5.382 19.385 ( -1.166 -1.116 0.000) 1.614 19.419 ( 2.354 -0.239 0.000) 2.366 19.451 ( 1.853 -3.130 0.000) 3.638 19.713 ( 1.032 -8.236 0.000) 8.301 19.778 ( 0.817 -7.254 0.000) 7.300 22.445 ( 6.350 54.254 0.000) 54.624 24.025 ( -55.376 47.117 0.000) 72.708 25.123 ( 4.618 -24.227 0.000) 24.664 25.572 ( 6.296 -5.686 0.000) 8.484 25.730 ( 3.761 -5.728 0.000) 6.853 26.012 ( -0.990 8.476 0.000) 8.534 26.414 ( 7.534 -13.340 0.000) 15.321 26.782 ( -3.168 -9.773 0.000) 10.274 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 15.565 19.739 0.000) 25.137 1.699 ( 8.419 15.552 0.000) 17.684 2.141 ( -8.757 20.805 0.000) 22.573 2.169 ( -7.923 22.143 0.000) 23.518 2.361 ( 14.696 -7.622 0.000) 16.555 2.541 ( -5.920 -9.618 0.000) 11.294 2.741 ( 5.252 3.591 0.000) 6.362 2.766 ( 25.057 28.912 0.000) 38.259 2.826 ( -0.445 8.118 0.000) 8.130 3.075 ( -3.052 24.595 0.000) 24.784 3.089 ( 19.947 8.716 0.000) 21.768 3.147 ( 6.045 7.998 0.000) 10.026 3.419 ( -26.961 9.600 0.000) 28.619 3.588 ( -27.772 3.675 0.000) 28.014 3.665 ( 4.172 34.850 0.000) 35.099 3.702 ( -1.345 33.900 0.000) 33.927 3.859 ( 15.221 6.499 0.000) 16.550 3.939 ( 6.891 4.500 0.000) 8.230 4.020 ( -7.244 13.496 0.000) 15.318 4.237 ( -14.733 4.291 0.000) 15.346 4.351 ( -0.032 9.749 0.000) 9.749 4.378 ( -5.472 4.092 0.000) 6.833 4.526 ( -3.396 -8.115 0.000) 8.797 4.533 ( -2.605 -14.126 0.000) 14.364 4.867 ( 1.887 -4.348 0.000) 4.739 4.883 ( 0.091 -5.687 0.000) 5.688 5.094 ( 0.733 -0.871 0.000) 1.138 5.108 ( -0.760 1.473 0.000) 1.658 5.148 ( 4.971 3.179 0.000) 5.900 5.256 ( -6.378 1.208 0.000) 6.491 5.592 ( 6.959 -3.205 0.000) 7.661 5.654 ( 6.883 -14.958 0.000) 16.466 5.697 ( -3.174 1.373 0.000) 3.458 5.710 ( 1.694 -7.260 0.000) 7.455 5.964 ( 3.972 -3.263 0.000) 5.140 6.039 ( -2.974 -3.221 0.000) 4.384 6.548 ( 18.973 6.707 0.000) 20.123 6.683 ( 8.371 5.135 0.000) 9.820 6.708 ( -1.487 17.742 0.000) 17.804 6.714 ( -6.122 9.902 0.000) 11.642 6.765 ( -5.726 9.332 0.000) 10.948 6.959 ( -16.413 -3.098 0.000) 16.703 7.494 ( -0.580 -1.992 0.000) 2.075 7.499 ( -1.201 2.184 0.000) 2.492 7.978 ( 11.999 -18.443 0.000) 22.003 8.026 ( 3.427 -14.810 0.000) 15.201 8.053 ( 5.668 -20.968 0.000) 21.721 8.138 ( 2.966 6.030 0.000) 6.720 8.233 ( -13.563 -18.224 0.000) 22.717 8.289 ( -10.092 -2.298 0.000) 10.350 8.952 ( 4.276 -19.296 0.000) 19.764 9.001 ( -0.970 -18.599 0.000) 18.624 9.467 ( 10.265 -3.670 0.000) 10.901 9.656 ( -9.917 -3.245 0.000) 10.435 9.697 ( 1.954 3.723 0.000) 4.204 9.754 ( -5.378 13.970 0.000) 14.970 9.896 ( 1.469 -0.742 0.000) 1.646 9.917 ( -0.657 -2.002 0.000) 2.108 10.171 ( 5.170 9.281 0.000) 10.624 10.270 ( -4.879 11.830 0.000) 12.796 10.725 ( 4.227 -4.408 0.000) 6.107 10.786 ( -2.783 -2.401 0.000) 3.675 11.022 ( 5.138 -3.948 0.000) 6.480 11.106 ( -2.446 7.480 0.000) 7.869 11.462 ( -0.313 15.023 0.000) 15.026 11.475 ( -1.067 9.979 0.000) 10.036 11.526 ( 4.747 18.110 0.000) 18.721 11.650 ( -7.888 23.618 0.000) 24.901 11.955 ( 9.251 -1.384 0.000) 9.354 12.114 ( -4.477 -2.191 0.000) 4.984 12.218 ( -2.305 7.907 0.000) 8.236 12.247 ( -2.288 4.593 0.000) 5.131 12.663 ( 7.330 -4.296 0.000) 8.496 12.827 ( -10.104 -6.646 0.000) 12.094 12.876 ( 6.079 -4.979 0.000) 7.858 12.963 ( -3.187 -3.727 0.000) 4.904 13.161 ( 2.441 -5.711 0.000) 6.211 13.189 ( -0.672 -5.726 0.000) 5.766 13.638 ( 2.030 -15.143 0.000) 15.278 13.649 ( 1.431 -14.960 0.000) 15.029 13.987 ( 1.044 8.253 0.000) 8.319 14.010 ( -1.331 6.950 0.000) 7.076 14.395 ( 0.569 -5.766 0.000) 5.794 14.410 ( -1.100 -5.946 0.000) 6.047 15.557 ( 16.222 6.253 0.000) 17.385 15.910 ( -21.422 6.344 0.000) 22.342 15.987 ( 16.025 -11.278 0.000) 19.596 16.242 ( -11.612 -4.163 0.000) 12.336 16.812 ( 6.180 46.396 0.000) 46.806 16.936 ( -7.219 42.005 0.000) 42.620 18.539 ( 1.728 -7.894 0.000) 8.080 18.576 ( -2.402 -8.785 0.000) 9.108 18.944 ( 3.602 4.062 0.000) 5.429 18.998 ( -2.420 5.253 0.000) 5.784 19.346 ( 2.314 2.607 0.000) 3.486 19.370 ( -0.713 0.162 0.000) 0.731 19.461 ( 1.815 -2.701 0.000) 3.254 19.474 ( 0.444 -3.193 0.000) 3.224 19.745 ( 2.299 -6.778 0.000) 7.157 19.779 ( -1.026 -6.874 0.000) 6.950 22.656 ( 18.249 59.881 0.000) 62.600 23.156 ( -37.998 62.437 0.000) 73.090 25.247 ( 8.948 -22.299 0.000) 24.028 25.435 ( -11.207 -18.571 0.000) 21.691 25.894 ( 7.140 3.322 0.000) 7.875 25.979 ( -2.859 6.455 0.000) 7.059 26.563 ( 8.261 -11.278 0.000) 13.980 26.696 ( -6.169 -10.262 0.000) 11.973 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 0.000 15.992 0.000) 15.992 1.599 ( 0.000 -11.751 0.000) 11.751 1.745 ( 0.000 27.720 0.000) 27.720 2.227 ( 0.000 -23.599 0.000) 23.599 2.535 ( 0.000 3.891 0.000) 3.891 2.560 ( 0.000 2.870 0.000) 2.870 2.588 ( 0.000 -0.214 0.000) 0.214 2.591 ( 0.000 -2.444 0.000) 2.444 3.073 ( 0.000 6.399 0.000) 6.399 3.130 ( 0.000 0.247 0.000) 0.247 3.395 ( 0.000 43.903 0.000) 43.903 3.488 ( 0.000 15.186 0.000) 15.186 3.531 ( 0.000 9.261 0.000) 9.261 3.704 ( 0.000 -8.517 0.000) 8.517 3.738 ( 0.000 -11.603 0.000) 11.603 4.138 ( 0.000 -32.927 0.000) 32.927 4.209 ( 0.000 11.200 0.000) 11.200 4.300 ( 0.000 -0.573 0.000) 0.573 4.484 ( 0.000 32.206 0.000) 32.206 4.568 ( 0.000 9.193 0.000) 9.193 4.586 ( 0.000 18.045 0.000) 18.045 4.591 ( 0.000 11.660 0.000) 11.660 4.768 ( 0.000 3.812 0.000) 3.812 4.771 ( 0.000 1.649 0.000) 1.649 4.879 ( 0.000 -6.328 0.000) 6.328 4.902 ( 0.000 2.992 0.000) 2.992 4.920 ( 0.000 4.708 0.000) 4.708 5.065 ( 0.000 -0.428 0.000) 0.428 5.170 ( 0.000 0.945 0.000) 0.945 5.195 ( 0.000 -5.890 0.000) 5.890 5.233 ( 0.000 -11.789 0.000) 11.789 5.307 ( 0.000 -11.372 0.000) 11.372 5.692 ( 0.000 12.693 0.000) 12.693 5.694 ( 0.000 -6.861 0.000) 6.861 5.707 ( 0.000 -8.765 0.000) 8.765 5.897 ( 0.000 -8.578 0.000) 8.578 6.277 ( 0.000 14.666 0.000) 14.666 6.467 ( 0.000 -4.801 0.000) 4.801 6.937 ( 0.000 -4.427 0.000) 4.427 6.938 ( 0.000 -4.044 0.000) 4.044 7.141 ( 0.000 15.738 0.000) 15.738 7.426 ( 0.000 27.554 0.000) 27.554 7.450 ( 0.000 -8.946 0.000) 8.946 7.524 ( 0.000 -7.624 0.000) 7.624 7.612 ( 0.000 -9.408 0.000) 9.408 7.697 ( 0.000 10.330 0.000) 10.330 7.732 ( 0.000 -9.392 0.000) 9.392 8.104 ( 0.000 -28.631 0.000) 28.631 8.244 ( 0.000 9.691 0.000) 9.691 8.491 ( 0.000 -16.355 0.000) 16.355 8.521 ( 0.000 4.568 0.000) 4.568 8.690 ( 0.000 -13.010 0.000) 13.010 9.190 ( 0.000 4.391 0.000) 4.391 9.352 ( 0.000 -11.911 0.000) 11.911 9.888 ( 0.000 3.214 0.000) 3.214 9.940 ( 0.000 -1.129 0.000) 1.129 9.974 ( 0.000 6.755 0.000) 6.755 10.101 ( 0.000 -5.023 0.000) 5.023 10.220 ( 0.000 3.070 0.000) 3.070 10.256 ( 0.000 -1.123 0.000) 1.123 10.622 ( 0.000 5.391 0.000) 5.391 10.772 ( 0.000 -9.480 0.000) 9.480 11.110 ( 0.000 17.236 0.000) 17.236 11.303 ( 0.000 2.163 0.000) 2.163 11.590 ( 0.000 2.345 0.000) 2.345 11.637 ( 0.000 -4.226 0.000) 4.226 11.774 ( 0.000 14.178 0.000) 14.178 11.778 ( 0.000 12.284 0.000) 12.284 11.966 ( 0.000 -4.195 0.000) 4.195 12.057 ( 0.000 -14.543 0.000) 14.543 12.242 ( 0.000 3.697 0.000) 3.697 12.307 ( 0.000 1.137 0.000) 1.137 12.640 ( 0.000 1.514 0.000) 1.514 12.669 ( 0.000 2.210 0.000) 2.210 12.896 ( 0.000 -0.063 0.000) 0.063 12.997 ( 0.000 -9.042 0.000) 9.042 13.047 ( 0.000 5.941 0.000) 5.941 13.237 ( 0.000 6.409 0.000) 6.409 13.286 ( 0.000 -16.123 0.000) 16.123 13.360 ( 0.000 -6.401 0.000) 6.401 14.154 ( 0.000 9.000 0.000) 9.000 14.155 ( 0.000 6.436 0.000) 6.436 14.275 ( 0.000 -6.363 0.000) 6.363 14.312 ( 0.000 -7.748 0.000) 7.748 15.378 ( 0.000 4.906 0.000) 4.906 15.468 ( 0.000 -4.585 0.000) 4.585 16.513 ( 0.000 3.269 0.000) 3.269 16.539 ( 0.000 0.979 0.000) 0.979 17.573 ( 0.000 43.046 0.000) 43.046 17.760 ( 0.000 31.698 0.000) 31.698 18.243 ( 0.000 -19.460 0.000) 19.460 18.250 ( 0.000 -28.943 0.000) 28.943 19.013 ( 0.000 11.150 0.000) 11.150 19.226 ( 0.000 -11.215 0.000) 11.215 19.266 ( 0.000 12.160 0.000) 12.160 19.304 ( 0.000 3.635 0.000) 3.635 19.375 ( 0.000 -2.333 0.000) 2.333 19.507 ( 0.000 -11.792 0.000) 11.792 19.507 ( 0.000 5.989 0.000) 5.989 19.631 ( 0.000 -7.115 0.000) 7.115 23.460 ( 0.000 57.985 0.000) 57.985 24.437 ( 0.000 -44.203 0.000) 44.203 25.183 ( 0.000 17.504 0.000) 17.504 25.443 ( 0.000 -0.895 0.000) 0.895 25.620 ( 0.000 7.266 0.000) 7.266 25.982 ( 0.000 -21.356 0.000) 21.356 26.261 ( 0.000 15.857 0.000) 15.857 26.569 ( 0.000 -15.676 0.000) 15.676 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 24.332 13.924 0.000) 28.034 1.804 ( 6.134 25.233 0.000) 25.968 1.839 ( 22.177 -10.423 0.000) 24.504 2.239 ( 1.197 -20.724 0.000) 20.758 2.502 ( -2.957 7.286 0.000) 7.863 2.548 ( -0.650 5.964 0.000) 5.999 2.621 ( 3.405 -5.173 0.000) 6.193 2.630 ( 3.586 -2.675 0.000) 4.474 3.055 ( -1.232 5.207 0.000) 5.350 3.107 ( -1.198 2.510 0.000) 2.781 3.439 ( 4.766 39.075 0.000) 39.365 3.457 ( -3.551 13.904 0.000) 14.350 3.640 ( 11.571 7.513 0.000) 13.796 3.656 ( -6.190 -8.029 0.000) 10.138 3.789 ( 5.949 -7.643 0.000) 9.685 4.132 ( -0.370 -30.892 0.000) 30.894 4.166 ( -6.932 11.090 0.000) 13.078 4.296 ( -0.964 -1.922 0.000) 2.150 4.398 ( -14.128 19.218 0.000) 23.852 4.435 ( -3.687 25.439 0.000) 25.705 4.496 ( -12.819 6.598 0.000) 14.417 4.575 ( -13.879 1.881 0.000) 14.006 4.582 ( 0.332 10.394 0.000) 10.399 4.747 ( -9.699 -6.971 0.000) 11.944 4.825 ( -0.854 4.567 0.000) 4.646 4.847 ( 1.236 18.618 0.000) 18.659 5.013 ( 6.176 -1.352 0.000) 6.322 5.168 ( 1.101 4.937 0.000) 5.059 5.183 ( 1.267 1.186 0.000) 1.735 5.247 ( 4.822 -17.088 0.000) 17.755 5.250 ( 5.512 -10.016 0.000) 11.433 5.307 ( -0.572 -8.272 0.000) 8.292 5.685 ( 0.564 -3.184 0.000) 3.233 5.708 ( 1.718 10.533 0.000) 10.672 5.760 ( 3.928 -9.519 0.000) 10.298 5.917 ( 0.911 -10.083 0.000) 10.124 6.400 ( 12.621 11.908 0.000) 17.352 6.550 ( 8.381 -3.106 0.000) 8.938 6.889 ( -0.945 4.417 0.000) 4.517 7.003 ( 1.133 -4.881 0.000) 5.011 7.128 ( -1.485 14.380 0.000) 14.456 7.338 ( -8.330 28.252 0.000) 29.454 7.439 ( -0.702 -7.441 0.000) 7.474 7.503 ( 0.193 -8.715 0.000) 8.718 7.634 ( -5.622 4.455 0.000) 7.173 7.643 ( 2.185 -13.689 0.000) 13.862 7.733 ( -0.788 -8.889 0.000) 8.924 8.011 ( -9.382 -27.030 0.000) 28.612 8.264 ( 2.245 11.064 0.000) 11.290 8.483 ( -3.659 7.160 0.000) 8.041 8.527 ( 3.678 -16.790 0.000) 17.188 8.692 ( -0.277 -14.542 0.000) 14.545 9.281 ( 8.927 4.395 0.000) 9.950 9.436 ( 8.087 -11.067 0.000) 13.707 9.807 ( -7.433 2.682 0.000) 7.902 9.883 ( -6.444 -4.615 0.000) 7.926 9.996 ( 2.279 8.069 0.000) 8.385 10.133 ( 3.583 -4.552 0.000) 5.794 10.151 ( -3.018 11.905 0.000) 12.282 10.329 ( 2.592 -6.213 0.000) 6.732 10.640 ( 2.203 4.773 0.000) 5.257 10.788 ( 2.181 -9.572 0.000) 9.818 11.019 ( -8.810 14.782 0.000) 17.208 11.245 ( -7.354 -4.857 0.000) 8.813 11.600 ( 3.405 7.781 0.000) 8.493 11.726 ( 8.096 -1.085 0.000) 8.168 11.778 ( 0.091 14.275 0.000) 14.276 11.807 ( 3.015 12.424 0.000) 12.784 11.961 ( -0.768 -2.860 0.000) 2.961 12.101 ( 4.623 -14.678 0.000) 15.389 12.208 ( -3.026 7.355 0.000) 7.954 12.328 ( 0.694 -1.194 0.000) 1.381 12.637 ( 0.284 5.533 0.000) 5.540 12.728 ( 4.871 -1.744 0.000) 5.174 12.836 ( -6.010 -0.845 0.000) 6.069 12.943 ( -4.701 -9.062 0.000) 10.209 13.076 ( 2.955 5.676 0.000) 6.399 13.226 ( -0.952 7.529 0.000) 7.589 13.306 ( 2.152 -15.714 0.000) 15.861 13.386 ( 1.693 -9.094 0.000) 9.250 14.148 ( -0.538 8.780 0.000) 8.797 14.151 ( -0.384 6.619 0.000) 6.630 14.274 ( -0.065 -6.482 0.000) 6.482 14.302 ( -0.905 -7.631 0.000) 7.685 15.451 ( 8.207 5.699 0.000) 9.991 15.561 ( 9.970 -6.233 0.000) 11.758 16.366 ( -15.128 4.257 0.000) 15.716 16.423 ( -12.143 -1.548 0.000) 12.241 17.594 ( 2.252 42.279 0.000) 42.339 17.746 ( -1.533 33.496 0.000) 33.532 18.252 ( 0.790 -20.191 0.000) 20.206 18.253 ( 0.331 -27.683 0.000) 27.685 19.033 ( 2.035 10.463 0.000) 10.659 19.206 ( -3.725 9.452 0.000) 10.159 19.235 ( 0.966 -10.586 0.000) 10.630 19.339 ( -0.778 -2.572 0.000) 2.687 19.400 ( 4.251 3.442 0.000) 5.470 19.514 ( 0.559 5.881 0.000) 5.908 19.541 ( 3.267 -9.427 0.000) 9.977 19.639 ( 0.627 -7.265 0.000) 7.292 23.531 ( 8.062 57.760 0.000) 58.320 24.494 ( 6.348 -43.242 0.000) 43.705 24.762 ( -32.019 33.433 0.000) 46.293 25.291 ( -17.118 -22.746 0.000) 28.468 25.826 ( 15.021 12.919 0.000) 19.813 26.121 ( 11.106 -16.993 0.000) 20.300 26.241 ( -2.304 15.286 0.000) 15.458 26.541 ( -3.135 -15.446 0.000) 15.761 ======================= Grid point 17 (12/60) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 7.266 18.760 0.000) 20.118 1.965 ( 8.678 13.005 0.000) 15.634 2.187 ( 11.239 -10.640 0.000) 15.476 2.257 ( 0.185 -14.353 0.000) 14.354 2.475 ( 1.735 15.265 0.000) 15.363 2.529 ( -2.038 11.762 0.000) 11.937 2.701 ( 3.714 -6.045 0.000) 7.095 2.714 ( 4.226 -9.961 0.000) 10.820 3.104 ( 11.127 4.848 0.000) 12.137 3.165 ( 8.648 -1.498 0.000) 8.777 3.350 ( -8.744 6.555 0.000) 10.928 3.433 ( -18.657 -3.137 0.000) 18.919 3.570 ( 10.605 34.462 0.000) 36.057 3.867 ( -21.387 21.276 0.000) 30.167 3.924 ( 18.621 2.745 0.000) 18.822 3.956 ( 12.083 -0.193 0.000) 12.085 4.140 ( 1.669 -23.115 0.000) 23.175 4.199 ( -9.973 -2.967 0.000) 10.405 4.205 ( -10.273 2.540 0.000) 10.582 4.266 ( -15.844 -3.333 0.000) 16.191 4.355 ( -2.121 15.349 0.000) 15.495 4.377 ( -2.535 19.818 0.000) 19.979 4.578 ( -0.183 3.866 0.000) 3.870 4.606 ( -4.338 -2.231 0.000) 4.878 4.839 ( 1.545 13.362 0.000) 13.451 4.859 ( -0.341 17.519 0.000) 17.523 5.099 ( 3.400 -0.093 0.000) 3.401 5.146 ( -1.993 0.846 0.000) 2.165 5.213 ( 1.997 1.138 0.000) 2.299 5.255 ( -2.507 -2.389 0.000) 3.463 5.346 ( 3.483 -16.634 0.000) 16.994 5.351 ( 2.747 -16.586 0.000) 16.812 5.713 ( 2.053 2.271 0.000) 3.061 5.733 ( 0.338 6.266 0.000) 6.275 5.834 ( 4.110 -9.167 0.000) 10.046 5.900 ( -2.744 -10.087 0.000) 10.454 6.678 ( 16.290 6.130 0.000) 17.406 6.729 ( 10.078 1.265 0.000) 10.157 6.864 ( -3.825 6.493 0.000) 7.536 6.930 ( -9.778 -0.347 0.000) 9.785 7.099 ( 0.591 21.983 0.000) 21.991 7.182 ( -7.644 27.666 0.000) 28.703 7.447 ( 2.161 -3.683 0.000) 4.270 7.523 ( -5.843 0.083 0.000) 5.843 7.594 ( 9.379 -18.030 0.000) 20.323 7.677 ( 1.798 -16.537 0.000) 16.634 7.704 ( -2.088 -15.221 0.000) 15.364 7.807 ( -12.120 -22.585 0.000) 25.631 8.323 ( 4.128 12.556 0.000) 13.217 8.405 ( -4.648 11.016 0.000) 11.957 8.604 ( 4.263 -17.239 0.000) 17.759 8.668 ( -2.522 -16.504 0.000) 16.696 9.466 ( 10.575 3.952 0.000) 11.290 9.596 ( 8.772 -8.826 0.000) 12.443 9.649 ( -9.573 2.837 0.000) 9.984 9.746 ( -7.930 -6.499 0.000) 10.253 10.047 ( 3.130 11.577 0.000) 11.992 10.102 ( -2.798 14.245 0.000) 14.517 10.225 ( 6.030 -5.027 0.000) 7.851 10.320 ( -3.462 -7.097 0.000) 7.896 10.708 ( 5.502 5.289 0.000) 7.632 10.844 ( -9.301 10.024 0.000) 13.675 10.874 ( 7.766 -10.104 0.000) 12.744 11.059 ( -11.636 -10.175 0.000) 15.457 11.691 ( 5.210 13.527 0.000) 14.495 11.761 ( -2.313 14.402 0.000) 14.587 11.866 ( 4.214 0.603 0.000) 4.256 11.918 ( 11.275 10.970 0.000) 15.731 11.930 ( -2.722 0.406 0.000) 2.752 12.110 ( -8.520 8.452 0.000) 12.001 12.211 ( 6.756 -12.201 0.000) 13.947 12.307 ( -3.168 -4.393 0.000) 5.416 12.650 ( 1.468 7.234 0.000) 7.381 12.714 ( -5.992 2.200 0.000) 6.384 12.813 ( 4.007 -6.447 0.000) 7.591 12.872 ( -3.023 -9.369 0.000) 9.844 13.140 ( 3.668 6.300 0.000) 7.290 13.197 ( -2.433 7.499 0.000) 7.884 13.355 ( 2.901 -14.481 0.000) 14.769 13.394 ( -0.994 -12.407 0.000) 12.447 14.141 ( -0.138 8.072 0.000) 8.073 14.143 ( -0.360 7.202 0.000) 7.211 14.276 ( 0.258 -6.822 0.000) 6.827 14.285 ( -0.811 -7.280 0.000) 7.325 15.677 ( 16.534 6.579 0.000) 17.795 15.810 ( 16.811 -7.950 0.000) 18.596 16.025 ( -20.694 5.988 0.000) 21.543 16.137 ( -18.176 -6.033 0.000) 19.151 17.647 ( 3.330 40.134 0.000) 40.272 17.706 ( -2.894 36.980 0.000) 37.093 18.260 ( 0.362 -24.878 0.000) 24.880 18.262 ( 0.197 -22.114 0.000) 22.115 19.081 ( 3.153 9.379 0.000) 9.895 19.142 ( -3.421 9.073 0.000) 9.697 19.262 ( 2.055 -9.227 0.000) 9.453 19.304 ( -2.393 -7.351 0.000) 7.731 19.478 ( 3.465 5.250 0.000) 6.290 19.516 ( -0.779 5.599 0.000) 5.653 19.604 ( 3.132 -7.650 0.000) 8.266 19.641 ( -0.834 -7.401 0.000) 7.448 23.766 ( 18.236 55.687 0.000) 58.597 24.194 ( -28.674 48.260 0.000) 56.136 24.669 ( 13.024 -39.828 0.000) 41.903 24.956 ( -18.139 -33.037 0.000) 37.689 26.046 ( 9.308 12.245 0.000) 15.381 26.174 ( -5.161 13.786 0.000) 14.720 26.312 ( 9.431 -14.878 0.000) 17.615 26.455 ( -6.346 -14.939 0.000) 16.231 ======================= Grid point 35 (13/60) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 0.000 0.000 28.443) 28.443 0.638 ( 0.000 0.000 30.177) 30.177 0.996 ( 0.000 0.000 49.098) 49.098 1.488 ( 0.000 0.000 2.883) 2.883 1.611 ( 0.000 0.000 0.634) 0.634 1.692 ( 0.000 0.000 -0.201) 0.201 1.971 ( 0.000 0.000 0.399) 0.399 2.249 ( 0.000 0.000 -8.820) 8.820 2.720 ( 0.000 0.000 2.104) 2.104 2.793 ( 0.000 0.000 -0.674) 0.674 2.859 ( 0.000 0.000 -0.512) 0.512 2.945 ( 0.000 0.000 -1.385) 1.385 3.064 ( 0.000 0.000 0.040) 0.040 3.237 ( 0.000 0.000 6.745) 6.745 3.426 ( 0.000 0.000 2.795) 2.795 3.477 ( 0.000 0.000 -9.424) 9.424 3.761 ( 0.000 0.000 -1.794) 1.794 3.917 ( 0.000 0.000 -7.167) 7.167 4.072 ( 0.000 0.000 -6.019) 6.019 4.147 ( 0.000 0.000 4.656) 4.656 4.181 ( 0.000 0.000 0.686) 0.686 4.611 ( 0.000 0.000 -8.242) 8.242 4.735 ( 0.000 0.000 -6.805) 6.805 4.795 ( 0.000 0.000 -2.116) 2.116 4.843 ( 0.000 0.000 2.250) 2.250 4.948 ( 0.000 0.000 -2.355) 2.355 5.046 ( 0.000 0.000 -2.686) 2.686 5.053 ( 0.000 0.000 7.801) 7.801 5.261 ( 0.000 0.000 -0.435) 0.435 5.324 ( 0.000 0.000 -3.886) 3.886 5.432 ( 0.000 0.000 -7.312) 7.312 5.685 ( 0.000 0.000 0.723) 0.723 5.761 ( 0.000 0.000 8.546) 8.546 5.913 ( 0.000 0.000 7.814) 7.814 5.958 ( 0.000 0.000 3.856) 3.856 5.960 ( 0.000 0.000 -1.672) 1.672 5.971 ( 0.000 0.000 2.853) 2.853 6.158 ( 0.000 0.000 6.699) 6.699 6.350 ( 0.000 0.000 -2.728) 2.728 6.482 ( 0.000 0.000 0.079) 0.079 6.756 ( 0.000 0.000 2.575) 2.575 7.307 ( 0.000 0.000 -5.726) 5.726 7.342 ( 0.000 0.000 -2.141) 2.141 7.502 ( 0.000 0.000 0.785) 0.785 7.529 ( 0.000 0.000 -2.573) 2.573 7.833 ( 0.000 0.000 0.840) 0.840 8.054 ( 0.000 0.000 -4.065) 4.065 8.273 ( 0.000 0.000 6.749) 6.749 8.877 ( 0.000 0.000 1.349) 1.349 8.993 ( 0.000 0.000 -5.979) 5.979 9.010 ( 0.000 0.000 -2.112) 2.112 9.189 ( 0.000 0.000 -6.428) 6.428 9.487 ( 0.000 0.000 2.365) 2.365 9.488 ( 0.000 0.000 -3.701) 3.701 9.544 ( 0.000 0.000 8.126) 8.126 9.626 ( 0.000 0.000 3.058) 3.058 9.687 ( 0.000 0.000 -1.322) 1.322 9.717 ( 0.000 0.000 -1.116) 1.116 9.877 ( 0.000 0.000 -2.895) 2.895 10.070 ( 0.000 0.000 3.446) 3.446 10.323 ( 0.000 0.000 0.995) 0.995 10.705 ( 0.000 0.000 2.445) 2.445 10.770 ( 0.000 0.000 0.841) 0.841 10.869 ( 0.000 0.000 -9.365) 9.365 10.870 ( 0.000 0.000 -7.315) 7.315 11.186 ( 0.000 0.000 3.549) 3.549 11.337 ( 0.000 0.000 2.645) 2.645 11.466 ( 0.000 0.000 12.609) 12.609 11.932 ( 0.000 0.000 6.659) 6.659 12.035 ( 0.000 0.000 5.611) 5.611 12.224 ( 0.000 0.000 -12.658) 12.658 12.237 ( 0.000 0.000 -11.039) 11.039 12.580 ( 0.000 0.000 1.285) 1.285 12.761 ( 0.000 0.000 -0.617) 0.617 13.113 ( 0.000 0.000 -7.129) 7.129 13.197 ( 0.000 0.000 -5.074) 5.074 13.470 ( 0.000 0.000 5.437) 5.437 13.624 ( 0.000 0.000 5.202) 5.202 13.712 ( 0.000 0.000 2.047) 2.047 13.844 ( 0.000 0.000 0.206) 0.206 13.928 ( 0.000 0.000 3.840) 3.840 14.534 ( 0.000 0.000 2.725) 2.725 14.592 ( 0.000 0.000 2.543) 2.543 15.161 ( 0.000 0.000 1.803) 1.803 15.172 ( 0.000 0.000 7.798) 7.798 15.534 ( 0.000 0.000 1.986) 1.986 15.761 ( 0.000 0.000 12.730) 12.730 16.034 ( 0.000 0.000 -1.402) 1.402 16.035 ( 0.000 0.000 2.381) 2.381 16.561 ( 0.000 0.000 -0.192) 0.192 16.563 ( 0.000 0.000 -1.063) 1.063 18.547 ( 0.000 0.000 -2.412) 2.412 18.600 ( 0.000 0.000 -4.231) 4.231 18.877 ( 0.000 0.000 -3.364) 3.364 19.107 ( 0.000 0.000 6.018) 6.018 19.138 ( 0.000 0.000 -3.619) 3.619 19.266 ( 0.000 0.000 -35.670) 35.670 19.332 ( 0.000 0.000 -0.080) 0.080 19.622 ( 0.000 0.000 -14.348) 14.348 19.795 ( 0.000 0.000 -8.634) 8.634 21.899 ( 0.000 0.000 39.352) 39.352 23.717 ( 0.000 0.000 2.026) 2.026 24.848 ( 0.000 0.000 -4.792) 4.792 25.528 ( 0.000 0.000 4.790) 4.790 25.776 ( 0.000 0.000 -11.983) 11.983 25.991 ( 0.000 0.000 1.790) 1.790 26.581 ( 0.000 0.000 -2.351) 2.351 26.935 ( 0.000 0.000 -2.633) 2.633 ======================= Grid point 36 (14/60) ======================= q-point: ( 0.20 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 14.583 0.000 21.818) 26.243 0.832 ( 19.608 0.000 19.762) 27.839 1.353 ( 33.626 0.000 31.358) 45.978 1.446 ( -4.729 0.000 3.609) 5.949 1.618 ( 0.731 0.000 0.574) 0.930 1.683 ( -0.946 0.000 -0.037) 0.947 2.096 ( -13.336 0.000 -4.325) 14.019 2.186 ( 21.046 0.000 1.377) 21.091 2.811 ( -1.840 0.000 2.445) 3.060 2.816 ( 10.737 0.000 1.360) 10.823 2.861 ( 1.178 0.000 1.787) 2.140 3.014 ( -5.409 0.000 0.826) 5.472 3.073 ( 5.630 0.000 -7.546) 9.414 3.254 ( 1.573 0.000 0.000) 1.573 3.457 ( 3.262 0.000 2.439) 4.073 3.529 ( 4.937 0.000 -6.199) 7.925 3.721 ( -3.959 0.000 -1.130) 4.117 3.762 ( -14.462 0.000 -4.211) 15.062 4.038 ( -13.821 0.000 3.435) 14.242 4.071 ( -0.932 0.000 -6.421) 6.488 4.146 ( -0.896 0.000 -0.644) 1.103 4.530 ( -13.961 0.000 -5.484) 14.999 4.584 ( -0.909 0.000 -11.236) 11.273 4.728 ( -0.087 0.000 -2.251) 2.252 4.870 ( 4.444 0.000 0.803) 4.516 4.990 ( 2.702 0.000 -2.018) 3.373 5.043 ( -0.795 0.000 7.365) 7.408 5.051 ( 0.887 0.000 1.343) 1.610 5.251 ( 3.793 0.000 5.940) 7.048 5.348 ( 3.840 0.000 4.194) 5.687 5.563 ( -7.193 0.000 4.446) 8.456 5.635 ( -0.631 0.000 -4.050) 4.099 5.789 ( 9.773 0.000 -0.592) 9.791 5.823 ( -3.670 0.000 -0.269) 3.680 5.911 ( 7.751 0.000 5.413) 9.454 6.062 ( -1.656 0.000 0.423) 1.709 6.233 ( -4.689 0.000 -0.171) 4.692 6.307 ( 15.964 0.000 4.912) 16.703 6.507 ( 7.898 0.000 -1.571) 8.053 6.670 ( -4.347 0.000 2.406) 4.969 7.183 ( -12.382 0.000 -2.580) 12.648 7.326 ( -5.822 0.000 -6.727) 8.897 7.329 ( 0.766 0.000 -3.106) 3.199 7.500 ( -2.228 0.000 -0.046) 2.228 7.625 ( 48.459 0.000 -40.606) 63.223 7.845 ( 5.399 0.000 -0.145) 5.401 8.140 ( 5.424 0.000 -5.378) 7.638 8.280 ( 2.180 0.000 5.454) 5.873 8.858 ( -10.024 0.000 -5.938) 11.650 8.989 ( 11.226 0.000 0.523) 11.239 8.997 ( -5.887 0.000 0.924) 5.959 9.195 ( 2.655 0.000 -9.955) 10.303 9.499 ( -0.127 0.000 -2.826) 2.829 9.530 ( 3.226 0.000 2.468) 4.062 9.595 ( -1.091 0.000 -7.685) 7.762 9.617 ( -0.054 0.000 1.768) 1.768 9.722 ( -0.218 0.000 -0.783) 0.813 9.761 ( 5.172 0.000 -2.151) 5.602 9.928 ( 4.133 0.000 -0.980) 4.248 10.178 ( 10.393 0.000 1.269) 10.470 10.278 ( -1.384 0.000 -0.443) 1.453 10.677 ( -4.139 0.000 -1.674) 4.464 10.702 ( -1.887 0.000 1.950) 2.714 10.821 ( -4.629 0.000 -6.809) 8.234 10.997 ( 10.819 0.000 -5.537) 12.153 11.144 ( -4.598 0.000 6.431) 7.906 11.265 ( -1.279 0.000 7.075) 7.190 11.546 ( 6.592 0.000 12.559) 14.184 11.944 ( -7.871 0.000 -1.644) 8.040 11.980 ( 2.417 0.000 -2.221) 3.282 12.173 ( -5.090 0.000 -11.152) 12.258 12.211 ( -3.650 0.000 -3.768) 5.246 12.635 ( 5.585 0.000 1.142) 5.700 12.892 ( 10.863 0.000 -4.000) 11.575 13.109 ( -6.565 0.000 -3.819) 7.595 13.190 ( 4.115 0.000 -4.909) 6.406 13.427 ( -11.072 0.000 12.443) 16.656 13.461 ( -1.860 0.000 7.436) 7.665 13.736 ( 2.630 0.000 1.991) 3.298 13.917 ( 5.702 0.000 -1.141) 5.815 13.918 ( -1.217 0.000 3.803) 3.993 14.492 ( -19.221 0.000 16.439) 25.292 14.538 ( -0.480 0.000 3.384) 3.418 14.589 ( -1.823 0.000 4.000) 4.396 15.240 ( 7.612 0.000 7.144) 10.439 15.566 ( 3.458 0.000 1.830) 3.913 15.898 ( -8.525 0.000 1.413) 8.642 16.074 ( -4.407 0.000 0.207) 4.411 16.477 ( -5.832 0.000 0.213) 5.836 16.549 ( -1.668 0.000 -0.902) 1.897 17.381 ( 84.871 0.000 -65.096) 106.961 18.545 ( -0.144 0.000 -2.785) 2.789 18.581 ( -1.582 0.000 -4.279) 4.562 18.909 ( 2.973 0.000 -3.323) 4.459 19.067 ( -2.388 0.000 1.806) 2.994 19.205 ( 4.813 0.000 0.178) 4.816 19.209 ( -7.124 0.000 -37.550) 38.220 19.334 ( 0.106 0.000 0.276) 0.296 19.638 ( 1.767 0.000 -13.265) 13.382 19.779 ( -1.721 0.000 -8.841) 9.007 21.894 ( -0.183 0.000 40.362) 40.362 22.706 ( -53.710 0.000 57.438) 78.637 25.462 ( 25.102 0.000 -31.324) 40.141 25.560 ( 3.536 0.000 4.551) 5.764 25.776 ( -0.029 0.000 -12.755) 12.755 25.927 ( -6.346 0.000 2.127) 6.693 26.634 ( 5.213 0.000 -2.426) 5.750 26.912 ( -2.462 0.000 -2.650) 3.617 ======================= Grid point 37 (15/60) ======================= q-point: ( 0.40 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 15.200 0.000 11.787) 19.234 1.212 ( 22.065 0.000 10.089) 24.262 1.311 ( -10.281 0.000 6.170) 11.990 1.591 ( -16.333 0.000 3.963) 16.807 1.636 ( 1.272 0.000 0.418) 1.339 1.661 ( -1.390 0.000 0.202) 1.405 2.225 ( 33.094 0.000 13.238) 35.644 2.586 ( 19.532 0.000 3.496) 19.842 2.703 ( -13.491 0.000 4.083) 14.095 2.859 ( -11.144 0.000 2.783) 11.486 2.908 ( 4.474 0.000 4.882) 6.622 3.052 ( -8.952 0.000 6.774) 11.226 3.139 ( 24.346 0.000 -0.618) 24.354 3.265 ( 0.922 0.000 -9.377) 9.422 3.359 ( -12.511 0.000 -6.519) 14.108 3.529 ( 2.654 0.000 0.907) 2.804 3.630 ( -9.277 0.000 -0.580) 9.295 3.657 ( -20.900 0.000 1.870) 20.983 3.819 ( 13.918 0.000 -5.484) 14.960 4.016 ( -6.155 0.000 -6.956) 9.288 4.168 ( 3.338 0.000 -2.665) 4.271 4.297 ( -11.252 0.000 -4.342) 12.061 4.623 ( 4.356 0.000 -8.614) 9.653 4.701 ( -3.351 0.000 -4.569) 5.666 4.960 ( 5.090 0.000 0.727) 5.142 5.020 ( 1.021 0.000 2.469) 2.672 5.034 ( -0.445 0.000 5.034) 5.053 5.037 ( -2.852 0.000 0.439) 2.885 5.327 ( 4.173 0.000 6.441) 7.674 5.384 ( -1.296 0.000 6.517) 6.645 5.515 ( 2.214 0.000 -2.669) 3.467 5.586 ( -4.127 0.000 -4.087) 5.808 5.842 ( 5.224 0.000 -0.845) 5.292 5.954 ( 8.016 0.000 1.491) 8.153 5.970 ( -7.394 0.000 0.156) 7.396 6.050 ( 0.534 0.000 3.810) 3.847 6.215 ( 8.699 0.000 0.564) 8.717 6.452 ( -12.327 0.000 -0.624) 12.343 6.628 ( 18.024 0.000 1.090) 18.057 6.745 ( 12.217 0.000 1.989) 12.377 6.931 ( -15.242 0.000 -1.223) 15.291 7.025 ( -18.070 0.000 1.418) 18.126 7.359 ( 2.682 0.000 -1.533) 3.089 7.428 ( -4.672 0.000 -0.216) 4.677 7.953 ( 7.097 0.000 -0.590) 7.122 8.034 ( -0.174 0.000 -2.320) 2.327 8.323 ( 10.452 0.000 -16.108) 19.202 8.359 ( 5.232 0.000 -1.005) 5.328 8.709 ( -2.629 0.000 -5.956) 6.510 8.828 ( -11.125 0.000 -1.493) 11.225 9.227 ( 13.461 0.000 -0.635) 13.476 9.299 ( 8.254 0.000 -12.591) 15.055 9.429 ( -7.952 0.000 -1.074) 8.025 9.468 ( -9.393 0.000 -13.928) 16.800 9.636 ( 6.946 0.000 4.807) 8.447 9.645 ( 2.648 0.000 -0.404) 2.679 9.695 ( -2.506 0.000 -0.664) 2.592 9.761 ( -5.027 0.000 0.742) 5.082 10.014 ( 5.907 0.000 4.028) 7.150 10.130 ( -6.453 0.000 7.059) 9.564 10.492 ( 13.629 0.000 -7.825) 15.715 10.637 ( 0.134 0.000 -0.552) 0.568 10.665 ( -2.308 0.000 1.411) 2.705 10.698 ( -9.216 0.000 -6.212) 11.114 11.146 ( 4.659 0.000 4.374) 6.390 11.236 ( -3.552 0.000 5.008) 6.140 11.246 ( 16.053 0.000 -4.071) 16.561 11.524 ( -11.846 0.000 2.395) 12.085 11.921 ( 7.772 0.000 1.281) 7.877 12.015 ( 2.227 0.000 -7.081) 7.423 12.077 ( -4.698 0.000 -9.709) 10.786 12.094 ( -8.964 0.000 2.655) 9.349 12.764 ( 8.446 0.000 0.865) 8.490 12.936 ( -10.351 0.000 -0.004) 10.351 13.076 ( 8.992 0.000 -2.655) 9.376 13.211 ( -5.203 0.000 -3.215) 6.116 13.352 ( 3.437 0.000 9.830) 10.413 13.421 ( -3.083 0.000 6.670) 7.348 13.802 ( 4.312 0.000 2.427) 4.948 13.876 ( -3.435 0.000 3.316) 4.775 14.050 ( 9.056 0.000 2.128) 9.303 14.236 ( -11.335 0.000 8.456) 14.141 14.547 ( 0.843 0.000 2.324) 2.473 14.566 ( -1.231 0.000 2.512) 2.797 15.449 ( 15.172 0.000 5.768) 16.232 15.658 ( 6.516 0.000 1.151) 6.617 15.725 ( -11.360 0.000 3.597) 11.916 15.852 ( -15.434 0.000 0.803) 15.455 16.453 ( 2.218 0.000 -0.170) 2.224 16.506 ( -2.947 0.000 -0.644) 3.016 18.452 ( 39.635 0.000 -56.494) 69.011 18.545 ( 0.215 0.000 -3.498) 3.504 18.556 ( -1.048 0.000 -4.068) 4.201 18.968 ( 3.294 0.000 -2.406) 4.079 18.972 ( -19.823 0.000 -43.265) 47.590 19.022 ( -2.670 0.000 -0.388) 2.699 19.285 ( 3.542 0.000 0.836) 3.639 19.327 ( -1.147 0.000 0.808) 1.403 19.682 ( 2.897 0.000 -11.290) 11.655 19.736 ( -2.845 0.000 -9.711) 10.119 21.917 ( 3.757 0.000 44.501) 44.659 22.092 ( -18.181 0.000 53.821) 56.809 25.654 ( 6.618 0.000 3.882) 7.673 25.707 ( 6.193 0.000 -21.729) 22.594 25.766 ( -1.390 0.000 -15.562) 15.624 25.790 ( -8.084 0.000 2.960) 8.609 26.743 ( 6.256 0.000 -2.575) 6.765 26.846 ( -4.825 0.000 -2.655) 5.507 ======================= Grid point 40 (16/60) ======================= q-point: ( 0.00 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 0.000 17.517 19.877) 26.494 0.927 ( 0.000 21.788 24.712) 32.946 1.536 ( 0.000 48.288 28.135) 55.887 1.921 ( 0.000 -2.843 0.634) 2.913 1.984 ( 0.000 40.597 0.926) 40.607 2.031 ( 0.000 21.289 -3.172) 21.524 2.217 ( 0.000 52.223 0.625) 52.227 2.357 ( 0.000 13.716 -3.608) 14.183 2.683 ( 0.000 -2.897 0.487) 2.938 2.827 ( 0.000 3.784 0.775) 3.862 2.918 ( 0.000 6.788 0.421) 6.801 2.946 ( 0.000 -8.207 -0.527) 8.224 3.027 ( 0.000 5.623 0.713) 5.668 3.300 ( 0.000 9.313 3.034) 9.794 3.489 ( 0.000 1.774 -8.875) 9.051 3.781 ( 0.000 2.634 -15.508) 15.730 3.829 ( 0.000 7.534 -2.328) 7.885 3.922 ( 0.000 2.394 -6.981) 7.380 4.119 ( 0.000 4.393 -6.219) 7.615 4.140 ( 0.000 1.226 0.789) 1.458 4.277 ( 0.000 7.065 0.846) 7.116 4.614 ( 0.000 2.997 -6.446) 7.108 4.720 ( 0.000 -1.376 -7.147) 7.278 4.811 ( 0.000 1.310 -1.882) 2.293 4.884 ( 0.000 1.225 -6.726) 6.837 4.939 ( 0.000 -9.984 5.503) 11.400 5.093 ( 0.000 3.314 -0.690) 3.385 5.102 ( 0.000 6.662 7.561) 10.077 5.124 ( 0.000 -9.975 9.168) 13.548 5.327 ( 0.000 4.578 -4.505) 6.423 5.369 ( 0.000 4.111 1.052) 4.243 5.641 ( 0.000 -4.753 1.940) 5.133 5.680 ( 0.000 -8.633 4.773) 9.865 5.727 ( 0.000 3.609 -0.542) 3.650 5.858 ( 0.000 1.542 12.220) 12.316 6.053 ( 0.000 0.911 3.272) 3.396 6.081 ( 0.000 -1.882 1.189) 2.226 6.390 ( 0.000 3.798 -2.453) 4.522 6.543 ( 0.000 9.379 -1.499) 9.498 6.764 ( 0.000 4.232 1.994) 4.678 7.225 ( 0.000 -5.496 -5.412) 7.714 7.297 ( 0.000 -12.370 -0.930) 12.405 7.391 ( 0.000 7.488 -2.637) 7.939 7.584 ( 0.000 -1.606 -1.607) 2.272 7.813 ( 0.000 22.038 -19.586) 29.484 7.903 ( 0.000 5.198 1.801) 5.502 8.033 ( 0.000 -1.573 -6.477) 6.666 8.375 ( 0.000 -24.331 2.401) 24.449 8.387 ( 0.000 17.410 -5.920) 18.389 8.904 ( 0.000 -10.854 -2.109) 11.057 9.052 ( 0.000 -8.381 -6.629) 10.686 9.277 ( 0.000 -15.404 0.641) 15.418 9.338 ( 0.000 -10.110 0.230) 10.112 9.508 ( 0.000 18.964 -5.907) 19.863 9.540 ( 0.000 -1.945 -19.106) 19.204 9.747 ( 0.000 11.256 0.768) 11.282 9.816 ( 0.000 0.095 0.779) 0.785 9.863 ( 0.000 10.308 1.354) 10.397 9.917 ( 0.000 9.994 -0.287) 9.998 10.252 ( 0.000 -5.611 -0.698) 5.654 10.540 ( 0.000 28.163 -10.970) 30.224 10.701 ( 0.000 0.414 3.050) 3.078 10.874 ( 0.000 10.054 0.481) 10.065 10.991 ( 0.000 13.733 -7.895) 15.841 10.996 ( 0.000 13.341 -5.634) 14.482 11.142 ( 0.000 -3.966 3.524) 5.305 11.479 ( 0.000 15.710 -5.229) 16.557 11.547 ( 0.000 8.271 7.195) 10.962 11.911 ( 0.000 -1.039 5.735) 5.828 11.998 ( 0.000 -4.393 2.359) 4.986 12.235 ( 0.000 1.198 -8.222) 8.309 12.287 ( 0.000 4.662 -10.311) 11.316 12.552 ( 0.000 -2.300 0.679) 2.399 12.682 ( 0.000 -7.907 -1.331) 8.018 13.060 ( 0.000 -5.349 -7.590) 9.285 13.144 ( 0.000 -5.509 -5.265) 7.620 13.424 ( 0.000 -4.733 5.550) 7.294 13.583 ( 0.000 -3.366 4.675) 5.761 13.722 ( 0.000 -12.293 8.344) 14.858 13.813 ( 0.000 8.623 1.854) 8.820 13.975 ( 0.000 4.164 3.571) 5.486 14.067 ( 0.000 -39.380 32.932) 51.335 14.501 ( 0.000 -3.319 2.774) 4.325 14.560 ( 0.000 -3.546 2.729) 4.475 15.290 ( 0.000 3.414 6.390) 7.245 15.702 ( 0.000 0.983 10.540) 10.586 15.912 ( 0.000 31.146 3.991) 31.401 16.217 ( 0.000 15.503 2.568) 15.714 16.230 ( 0.000 14.525 1.871) 14.645 16.669 ( 0.000 13.832 0.741) 13.852 18.169 ( 0.000 66.104 -61.277) 90.137 18.560 ( 0.000 2.207 -4.715) 5.206 18.643 ( 0.000 4.554 -4.612) 6.482 18.828 ( 0.000 -3.880 -2.704) 4.729 19.100 ( 0.000 -0.299 3.971) 3.982 19.156 ( 0.000 1.841 -3.618) 4.060 19.296 ( 0.000 1.469 -28.969) 29.007 19.340 ( 0.000 0.851 -1.047) 1.349 19.602 ( 0.000 -2.531 -15.946) 16.146 19.752 ( 0.000 -4.444 -8.294) 9.410 22.091 ( 0.000 20.693 35.596) 41.174 24.119 ( 0.000 29.926 -20.490) 36.269 24.917 ( 0.000 7.454 -4.692) 8.808 25.448 ( 0.000 -9.123 5.161) 10.482 25.792 ( 0.000 2.016 -11.440) 11.617 25.949 ( 0.000 -4.351 1.829) 4.719 26.515 ( 0.000 -7.264 -2.622) 7.722 26.908 ( 0.000 -3.525 -2.566) 4.361 ======================= Grid point 41 (17/60) ======================= q-point: ( 0.20 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 16.579 16.543 14.085) 27.330 1.142 ( 18.972 21.389 15.705) 32.620 1.711 ( 17.658 38.179 22.899) 47.894 1.874 ( -7.658 32.768 2.517) 33.745 2.063 ( -0.388 21.486 -3.560) 21.782 2.123 ( 16.516 0.796 1.406) 16.595 2.217 ( -0.745 47.968 0.605) 47.978 2.272 ( -1.546 24.040 1.607) 24.143 2.758 ( 6.452 -3.016 -0.043) 7.123 2.848 ( 2.387 1.084 2.687) 3.754 2.912 ( 0.482 4.570 2.696) 5.328 2.937 ( -1.594 -4.284 0.921) 4.663 3.129 ( 7.692 7.982 -6.742) 12.974 3.292 ( -0.917 6.132 -0.238) 6.205 3.524 ( 3.523 3.307 -2.774) 5.572 3.713 ( -3.438 7.064 -10.575) 13.174 3.728 ( -10.938 3.960 -2.218) 11.843 3.860 ( -6.268 8.631 -2.733) 11.011 3.995 ( -12.988 -1.218 0.043) 13.045 4.162 ( -0.630 5.907 -4.262) 7.311 4.197 ( -4.609 5.302 -1.224) 7.131 4.538 ( -10.116 2.006 -5.699) 11.783 4.623 ( -7.276 1.391 -8.275) 11.106 4.717 ( -1.982 -1.554 -2.637) 3.647 4.908 ( 2.653 -2.131 0.980) 3.542 4.949 ( 0.800 -0.777 2.247) 2.508 4.997 ( -1.305 -0.904 1.586) 2.244 5.117 ( 0.563 3.931 1.617) 4.287 5.212 ( 4.885 -5.237 6.324) 9.554 5.349 ( 0.242 1.993 6.224) 6.540 5.482 ( 2.031 -3.626 -2.728) 4.971 5.642 ( 0.518 1.058 -0.999) 1.544 5.745 ( 5.803 -2.934 -0.555) 6.526 5.786 ( 7.856 -4.144 4.039) 9.758 5.949 ( 2.077 -0.591 4.535) 5.023 6.086 ( -0.860 0.829 1.787) 2.149 6.167 ( 17.758 -1.189 4.704) 18.409 6.389 ( -4.097 10.240 -3.132) 11.466 6.515 ( 3.603 2.884 -1.384) 4.818 6.715 ( -4.918 4.670 2.415) 7.199 7.043 ( -13.531 -10.027 0.195) 16.842 7.279 ( -8.553 -5.819 -3.299) 10.858 7.407 ( 0.348 6.184 -1.203) 6.309 7.549 ( -1.988 1.659 -0.499) 2.637 7.894 ( 3.443 4.617 0.164) 5.762 8.003 ( 12.039 1.338 -8.320) 14.695 8.114 ( 6.817 -3.889 -4.754) 9.176 8.375 ( -0.149 14.280 -5.348) 15.250 8.428 ( 4.395 -24.352 0.682) 24.755 8.790 ( -10.954 -11.575 -0.160) 15.937 9.098 ( 4.569 -7.490 -7.173) 11.333 9.300 ( 0.600 -13.334 -2.989) 13.678 9.402 ( 4.243 -10.984 -2.986) 12.148 9.444 ( -3.472 7.439 -9.219) 12.344 9.534 ( -1.587 7.983 -8.922) 12.077 9.729 ( -0.461 5.152 -0.332) 5.183 9.870 ( 1.797 12.757 2.315) 13.089 9.912 ( 3.467 1.288 0.280) 3.709 9.921 ( 3.378 9.607 -0.803) 10.216 10.200 ( -4.974 -4.618 2.548) 7.250 10.655 ( 9.536 25.929 -12.038) 30.135 10.712 ( 1.395 1.235 1.641) 2.483 10.785 ( -5.345 12.280 -2.539) 13.632 10.960 ( -3.262 14.606 -5.991) 16.120 11.058 ( 2.616 5.276 -0.689) 5.930 11.164 ( 3.465 2.370 0.823) 4.278 11.351 ( -8.167 14.464 1.826) 16.710 11.594 ( 4.419 4.556 12.339) 13.875 11.931 ( -5.288 -2.090 -1.173) 5.806 11.957 ( 2.680 -1.320 -2.313) 3.778 12.183 ( -5.239 1.726 -9.439) 10.932 12.251 ( -4.132 3.422 -3.905) 6.636 12.607 ( 5.473 -2.411 0.362) 5.991 12.803 ( 10.507 -8.930 -4.295) 14.443 13.060 ( -5.531 -5.086 -4.466) 8.741 13.138 ( 3.552 -5.329 -5.467) 8.420 13.372 ( -11.250 -4.849 14.495) 18.979 13.411 ( -1.814 -4.973 6.536) 8.411 13.808 ( 4.711 -7.066 0.682) 8.520 13.829 ( 2.303 5.333 1.934) 6.122 13.966 ( -1.150 4.316 3.580) 5.724 14.099 ( 0.068 -27.007 18.386) 32.672 14.502 ( 0.162 -3.452 2.571) 4.307 14.551 ( -0.930 -3.627 2.781) 4.664 15.316 ( 5.579 5.569 7.019) 10.556 15.928 ( 3.732 34.694 2.028) 34.953 16.006 ( 17.032 -12.274 4.418) 21.454 16.119 ( -9.000 11.057 3.800) 14.755 16.226 ( -0.852 10.417 3.461) 11.010 16.588 ( -6.909 13.915 1.497) 15.608 18.351 ( 16.380 42.256 -52.258) 69.173 18.561 ( 0.053 2.677 -6.625) 7.146 18.631 ( 0.259 7.853 -7.364) 10.769 18.864 ( 3.092 -3.114 -3.095) 5.370 19.064 ( -2.111 0.173 0.147) 2.123 19.219 ( 4.534 1.499 -0.881) 4.856 19.268 ( -3.453 3.352 -30.262) 30.642 19.342 ( 0.119 1.045 -1.048) 1.485 19.618 ( 1.627 -2.456 -14.985) 15.272 19.739 ( -1.458 -4.155 -8.692) 9.743 22.101 ( 1.495 22.270 36.068) 42.416 23.210 ( -56.500 43.963 24.397) 75.632 25.403 ( 18.766 -4.522 -17.321) 25.935 25.502 ( 8.523 -6.152 -0.311) 10.516 25.784 ( -1.132 0.758 -11.398) 11.480 25.885 ( -6.031 -4.121 1.160) 7.396 26.574 ( 5.771 -6.557 -2.527) 9.093 26.882 ( -2.836 -3.768 -2.576) 5.373 ======================= Grid point 42 (18/60) ======================= q-point: ( 0.40 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 20.297 13.111 7.534) 25.311 1.433 ( 12.614 24.172 9.347) 28.823 1.682 ( -10.564 27.817 4.455) 30.087 1.721 ( -17.358 19.655 1.114) 26.246 2.200 ( 0.891 42.853 1.520) 42.889 2.209 ( 0.410 47.702 1.759) 47.736 2.378 ( 29.978 16.642 10.737) 35.929 2.559 ( 19.665 -0.560 4.880) 20.269 2.730 ( -8.899 -0.683 2.308) 9.219 2.842 ( -7.301 2.268 3.438) 8.382 2.951 ( 4.236 4.796 4.756) 7.973 3.119 ( 18.265 -0.031 0.814) 18.283 3.137 ( -6.526 9.615 4.153) 12.341 3.283 ( 1.140 2.770 -9.008) 9.493 3.376 ( -11.850 2.221 -5.683) 13.329 3.607 ( -21.402 0.663 -0.385) 21.416 3.676 ( -2.156 7.181 -0.572) 7.519 3.742 ( -4.638 9.471 -2.139) 10.760 3.829 ( 13.252 1.703 -4.957) 14.251 4.062 ( -9.282 4.172 -6.836) 12.260 4.207 ( 3.194 4.074 -2.722) 5.849 4.322 ( -10.386 2.921 -2.704) 11.123 4.603 ( 2.851 -2.169 -6.542) 7.458 4.672 ( -3.666 -3.354 -3.734) 6.215 4.947 ( 0.798 -5.613 2.558) 6.220 4.960 ( -0.296 -2.048 1.432) 2.517 5.016 ( 4.113 1.162 0.804) 4.348 5.092 ( -3.286 2.325 0.856) 4.115 5.288 ( 3.568 -4.483 6.120) 8.384 5.339 ( -1.825 -2.763 5.134) 6.109 5.528 ( 4.305 1.821 -2.734) 5.415 5.609 ( -3.725 2.778 -2.715) 5.382 5.887 ( 8.034 -0.089 -0.968) 8.093 5.921 ( 6.070 -4.120 3.149) 7.984 5.973 ( -0.060 -4.920 3.458) 6.014 6.024 ( -5.580 3.342 0.762) 6.548 6.345 ( 4.203 12.491 -1.335) 13.247 6.492 ( -3.100 2.585 -1.615) 4.348 6.553 ( 11.393 -0.193 1.871) 11.547 6.721 ( 8.508 -1.770 0.821) 8.729 6.807 ( -9.939 -6.698 2.643) 12.274 7.022 ( -17.395 -3.554 -1.394) 17.809 7.429 ( 2.362 5.939 0.054) 6.392 7.490 ( -4.003 4.485 1.063) 6.105 8.001 ( 6.882 4.074 -0.257) 8.002 8.090 ( -1.764 1.765 -0.619) 2.571 8.290 ( 10.770 -9.199 0.371) 14.169 8.395 ( 0.613 1.825 -5.696) 6.012 8.488 ( 1.878 -22.593 -1.579) 22.726 8.577 ( -10.463 -15.807 1.437) 19.011 9.188 ( 4.681 -3.958 -10.284) 11.972 9.266 ( -3.951 -3.797 -12.958) 14.069 9.400 ( 0.688 -7.844 -1.243) 7.972 9.428 ( -1.996 -8.197 -3.532) 9.146 9.572 ( 5.600 7.659 -1.848) 9.666 9.683 ( -5.229 5.442 -1.526) 7.700 9.901 ( 1.307 12.108 1.638) 12.288 9.916 ( -0.367 9.001 0.841) 9.047 10.028 ( 5.130 2.072 1.280) 5.679 10.110 ( -4.380 -2.485 3.889) 6.363 10.725 ( 0.548 6.543 -0.274) 6.572 10.739 ( -0.350 8.170 1.370) 8.292 10.798 ( 4.959 25.196 -10.001) 27.558 10.882 ( -4.904 18.733 -6.594) 20.456 11.111 ( 5.716 -1.728 1.981) 6.291 11.223 ( -4.204 0.615 2.125) 4.751 11.329 ( 9.878 9.299 -0.034) 13.567 11.543 ( -10.635 1.987 4.165) 11.593 11.955 ( 8.267 2.457 1.367) 8.732 12.005 ( 3.239 -0.213 -6.630) 7.382 12.080 ( -5.355 1.681 -9.063) 10.660 12.133 ( -8.632 3.219 2.218) 9.476 12.731 ( 8.132 -3.168 -0.402) 8.736 12.894 ( -9.092 -4.768 -3.370) 10.806 13.001 ( 8.978 -7.080 -0.317) 11.439 13.146 ( -5.883 -6.646 -2.173) 9.138 13.298 ( 3.387 -4.751 8.873) 10.619 13.368 ( -3.242 -5.089 5.762) 8.343 13.869 ( 3.279 5.316 2.317) 6.662 13.923 ( 3.983 -4.839 3.678) 7.267 13.932 ( -0.045 -1.055 2.546) 2.756 14.044 ( -5.480 -15.995 8.461) 18.906 14.510 ( 0.780 -3.629 2.370) 4.404 14.530 ( -1.293 -3.658 2.591) 4.665 15.506 ( 15.094 5.328 5.874) 17.050 15.829 ( -18.640 6.867 4.041) 20.271 16.002 ( 4.314 31.167 2.052) 31.531 16.089 ( -4.486 22.580 0.230) 23.022 16.350 ( 9.403 -8.713 4.784) 13.683 16.477 ( -5.570 4.973 2.572) 7.897 18.530 ( 2.382 1.478 -9.867) 10.258 18.554 ( -0.918 0.809 -7.014) 7.120 18.783 ( 14.540 19.266 -33.518) 41.304 18.908 ( 0.676 -1.158 -6.453) 6.591 19.040 ( 0.255 3.210 -7.312) 7.990 19.143 ( -9.348 9.591 -31.316) 34.060 19.298 ( 3.279 1.407 -0.660) 3.628 19.336 ( -1.005 1.118 -0.503) 1.585 19.656 ( 2.494 -2.752 -12.393) 12.938 19.702 ( -2.453 -3.471 -10.010) 10.875 22.176 ( 8.176 27.757 37.722) 47.542 22.466 ( -26.248 37.779 38.624) 60.067 25.561 ( 6.995 -8.954 0.977) 11.404 25.671 ( 0.243 -5.164 -7.087) 8.773 25.736 ( -0.266 -2.059 -10.175) 10.385 25.793 ( -3.316 0.766 -9.214) 9.822 26.694 ( 6.862 -5.414 -2.584) 9.115 26.807 ( -5.343 -4.448 -2.624) 7.430 ======================= Grid point 45 (19/60) ======================= q-point: ( 0.00 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 0.000 17.716 11.620) 21.187 1.379 ( 0.000 25.520 16.375) 30.322 1.812 ( 0.000 -7.241 2.761) 7.750 2.250 ( 0.000 9.171 -7.193) 11.655 2.496 ( 0.000 40.376 11.398) 41.954 2.498 ( 0.000 5.589 -1.339) 5.748 2.634 ( 0.000 -9.151 0.562) 9.169 2.670 ( 0.000 18.824 5.634) 19.649 2.714 ( 0.000 -2.823 6.352) 6.951 2.924 ( 0.000 13.025 -6.912) 14.746 3.041 ( 0.000 5.413 4.030) 6.748 3.141 ( 0.000 19.927 0.450) 19.932 3.317 ( 0.000 24.695 2.434) 24.815 3.663 ( 0.000 16.607 -5.978) 17.650 3.673 ( 0.000 28.929 -6.452) 29.639 3.723 ( 0.000 0.417 -11.284) 11.291 3.977 ( 0.000 5.521 0.673) 5.562 4.059 ( 0.000 16.489 -7.125) 17.963 4.191 ( 0.000 5.132 -6.456) 8.247 4.215 ( 0.000 6.336 -4.986) 8.063 4.420 ( 0.000 8.011 -1.874) 8.227 4.676 ( 0.000 -10.997 3.516) 11.545 4.703 ( 0.000 -6.872 -4.778) 8.370 4.706 ( 0.000 5.549 -6.820) 8.792 4.836 ( 0.000 0.390 -1.638) 1.684 4.908 ( 0.000 1.516 0.564) 1.617 5.009 ( 0.000 -1.389 5.429) 5.604 5.122 ( 0.000 -2.229 3.620) 4.251 5.183 ( 0.000 0.914 6.330) 6.395 5.293 ( 0.000 -7.147 -5.604) 9.082 5.485 ( 0.000 5.711 7.934) 9.776 5.524 ( 0.000 -7.647 3.841) 8.558 5.548 ( 0.000 -2.406 1.992) 3.123 5.788 ( 0.000 0.864 -1.862) 2.052 5.876 ( 0.000 -5.859 4.547) 7.416 6.023 ( 0.000 -4.485 0.439) 4.506 6.089 ( 0.000 10.391 7.523) 12.829 6.466 ( 0.000 3.624 -1.242) 3.831 6.870 ( 0.000 23.921 -3.089) 24.119 6.882 ( 0.000 8.414 1.115) 8.487 7.069 ( 0.000 -11.008 -1.401) 11.097 7.075 ( 0.000 -8.405 -2.080) 8.659 7.505 ( 0.000 -4.749 -1.318) 4.928 7.559 ( 0.000 8.361 1.414) 8.480 7.784 ( 0.000 -9.214 -2.081) 9.446 7.862 ( 0.000 -11.565 4.876) 12.551 7.925 ( 0.000 -8.483 -0.152) 8.484 8.140 ( 0.000 0.583 0.753) 0.952 8.534 ( 0.000 -4.561 6.115) 7.629 8.623 ( 0.000 -16.561 -1.240) 16.608 8.811 ( 0.000 -16.526 -1.619) 16.606 8.975 ( 0.000 -16.140 0.183) 16.141 9.188 ( 0.000 -5.237 -1.448) 5.434 9.528 ( 0.000 -9.623 -5.734) 11.202 9.572 ( 0.000 5.824 -22.500) 23.242 9.864 ( 0.000 2.347 1.308) 2.687 9.935 ( 0.000 5.227 0.044) 5.227 10.049 ( 0.000 -1.424 -3.924) 4.174 10.120 ( 0.000 16.678 1.441) 16.740 10.213 ( 0.000 4.773 -1.312) 4.950 10.710 ( 0.000 -0.254 7.513) 7.518 10.741 ( 0.000 1.954 -4.541) 4.943 11.068 ( 0.000 -2.253 6.177) 6.575 11.107 ( 0.000 13.420 -0.165) 13.421 11.330 ( 0.000 18.331 -5.726) 19.204 11.353 ( 0.000 22.277 -4.024) 22.637 11.678 ( 0.000 7.571 10.457) 12.910 11.869 ( 0.000 -8.810 -0.167) 8.812 11.870 ( 0.000 18.354 -14.632) 23.472 11.936 ( 0.000 3.727 2.413) 4.440 12.238 ( 0.000 -2.087 -2.186) 3.022 12.373 ( 0.000 1.661 -2.098) 2.676 12.499 ( 0.000 -8.338 -8.511) 11.915 12.549 ( 0.000 3.743 -1.486) 4.027 12.924 ( 0.000 -8.871 -8.863) 12.539 13.001 ( 0.000 -9.405 -5.140) 10.718 13.309 ( 0.000 -6.856 5.830) 8.999 13.471 ( 0.000 -10.226 21.963) 24.227 13.508 ( 0.000 -4.452 4.838) 6.575 13.618 ( 0.000 -16.384 7.064) 17.842 13.991 ( 0.000 9.780 1.435) 9.884 14.072 ( 0.000 5.722 3.213) 6.563 14.418 ( 0.000 -5.318 2.986) 6.099 14.469 ( 0.000 -6.057 2.565) 6.577 15.371 ( 0.000 5.028 7.833) 9.308 15.658 ( 0.000 -3.823 11.213) 11.847 16.430 ( 0.000 7.798 1.293) 7.905 16.473 ( 0.000 9.245 2.445) 9.563 16.722 ( 0.000 48.417 3.322) 48.530 17.152 ( 0.000 34.791 3.321) 34.949 18.486 ( 0.000 -5.398 -1.739) 5.671 18.619 ( 0.000 -11.365 -5.805) 12.762 18.763 ( 0.000 7.973 -5.849) 9.889 18.996 ( 0.000 18.145 -16.442) 24.486 19.122 ( 0.000 2.394 -9.906) 10.191 19.203 ( 0.000 3.037 -3.760) 4.833 19.292 ( 0.000 -1.182 -16.169) 16.212 19.363 ( 0.000 1.601 -4.136) 4.435 19.526 ( 0.000 -4.998 -16.268) 17.019 19.633 ( 0.000 -8.103 -7.136) 10.797 22.695 ( 0.000 43.463 26.071) 50.683 24.642 ( 0.000 26.048 -16.381) 30.771 25.095 ( 0.000 -3.020 -0.998) 3.181 25.190 ( 0.000 -4.782 3.387) 5.860 25.768 ( 0.000 -9.288 -1.192) 9.364 25.934 ( 0.000 8.112 -7.662) 11.159 26.303 ( 0.000 -15.445 -2.874) 15.710 26.781 ( 0.000 -10.445 -3.083) 10.890 ======================= Grid point 46 (20/60) ======================= q-point: ( 0.20 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 17.343 19.269 6.352) 26.692 1.518 ( 15.596 20.277 14.861) 29.585 2.032 ( 20.260 -6.546 2.758) 21.469 2.234 ( -2.836 9.915 -4.983) 11.454 2.404 ( -8.659 15.264 2.798) 17.771 2.528 ( 4.916 30.220 6.381) 31.275 2.652 ( -1.134 -6.602 3.855) 7.729 2.668 ( 3.348 7.198 2.779) 8.411 2.773 ( 7.085 5.252 3.598) 9.525 2.908 ( 0.713 10.322 -1.360) 10.435 3.109 ( 3.226 11.732 1.465) 12.256 3.159 ( 1.293 19.739 3.806) 20.144 3.385 ( 8.429 20.465 -3.839) 22.464 3.620 ( -1.788 23.203 -7.357) 24.407 3.703 ( -2.113 10.098 -7.280) 12.626 3.746 ( 4.582 17.236 -3.218) 18.123 3.864 ( -9.946 7.404 -1.052) 12.444 4.013 ( -11.848 9.996 -2.691) 15.733 4.070 ( -6.166 11.060 -6.517) 14.241 4.280 ( 3.051 7.063 -3.976) 8.660 4.315 ( -8.655 6.522 -3.413) 11.362 4.589 ( -10.377 0.880 -2.813) 10.787 4.623 ( -5.768 -2.899 -2.444) 6.903 4.652 ( -7.673 -5.179 1.626) 9.399 4.762 ( 2.536 -4.835 -3.514) 6.493 4.941 ( -3.396 -4.641 4.259) 7.156 5.018 ( 3.123 3.866 -2.924) 5.766 5.125 ( 0.151 -3.152 3.704) 4.866 5.193 ( 1.360 2.028 5.817) 6.309 5.353 ( 0.428 -4.343 -1.508) 4.617 5.450 ( 2.042 0.416 3.357) 3.951 5.592 ( 7.319 -10.007 5.661) 13.629 5.633 ( 5.139 -0.946 0.660) 5.267 5.771 ( -0.810 -0.347 1.271) 1.547 5.894 ( 1.187 -6.554 0.433) 6.674 6.057 ( 2.010 -3.989 0.548) 4.500 6.243 ( 15.839 9.735 5.995) 19.534 6.518 ( 5.247 4.215 -2.285) 7.108 6.763 ( -8.274 18.168 -3.385) 20.248 6.850 ( -3.453 9.545 0.927) 10.192 6.908 ( -8.832 -0.522 0.920) 8.895 7.149 ( -3.746 -6.317 -1.740) 7.548 7.494 ( 0.063 -3.221 -0.102) 3.224 7.561 ( 0.152 6.052 2.336) 6.489 7.818 ( 4.983 -14.075 -0.083) 14.931 7.915 ( 5.272 -9.474 1.019) 10.890 7.966 ( 4.251 -11.679 0.769) 12.453 8.139 ( -0.446 -0.132 0.297) 0.552 8.466 ( -7.306 -8.337 4.772) 12.069 8.510 ( -10.317 -13.132 0.779) 16.718 8.853 ( 4.261 -17.059 -1.601) 17.656 9.002 ( 1.294 -16.846 0.585) 16.905 9.257 ( 6.909 -4.166 -3.554) 8.816 9.537 ( -2.941 6.489 -19.068) 20.355 9.593 ( 5.310 -7.588 -5.465) 10.753 9.849 ( -2.256 8.297 0.396) 8.608 9.933 ( -0.373 1.466 0.231) 1.530 9.978 ( -4.181 -0.206 0.598) 4.229 10.142 ( 1.427 9.399 2.903) 9.940 10.240 ( 1.975 9.491 -4.123) 10.535 10.714 ( 0.691 -1.165 5.106) 5.283 10.797 ( 4.345 -0.232 -1.808) 4.712 10.989 ( -4.056 1.483 0.874) 4.407 11.139 ( 0.996 9.152 2.999) 9.682 11.341 ( 0.615 21.871 -5.575) 22.578 11.398 ( 3.640 18.280 -3.989) 19.061 11.662 ( -4.759 4.950 5.482) 8.786 11.772 ( -4.910 20.043 -2.130) 20.746 11.866 ( 1.488 -3.207 0.450) 3.564 11.973 ( 2.464 3.294 -4.887) 6.388 12.221 ( -1.865 -0.255 -2.232) 2.920 12.319 ( -5.526 4.459 -4.346) 8.325 12.565 ( 4.238 -6.497 -1.471) 7.895 12.616 ( 8.339 -3.731 -7.159) 11.607 12.928 ( -3.230 -8.553 -5.803) 10.829 12.994 ( 1.905 -9.829 -5.872) 11.606 13.293 ( -3.493 -6.177 10.439) 12.622 13.300 ( -6.749 -2.192 10.887) 12.996 13.592 ( 3.780 -12.652 2.312) 13.405 13.703 ( 4.843 -15.891 11.036) 19.945 13.995 ( 0.662 9.346 2.099) 9.602 14.067 ( -0.559 6.043 3.400) 6.957 14.417 ( -0.047 -5.449 2.724) 6.092 14.460 ( -0.946 -5.998 2.698) 6.644 15.425 ( 6.600 6.046 7.670) 11.787 15.798 ( 13.363 -8.307 10.084) 18.688 16.288 ( -14.624 7.014 2.304) 16.382 16.430 ( -5.018 5.931 3.150) 8.383 16.753 ( 3.343 48.178 3.083) 48.392 17.093 ( -5.884 37.046 3.304) 37.655 18.491 ( 0.533 -5.522 -2.432) 6.057 18.575 ( -3.192 -7.555 -5.772) 10.029 18.829 ( 5.280 3.539 -4.195) 7.615 18.999 ( -0.228 12.536 -10.517) 16.365 19.114 ( 0.920 5.725 -16.856) 17.826 19.258 ( 4.431 2.519 -3.050) 5.940 19.281 ( -1.181 -0.988 -16.665) 16.736 19.375 ( 0.876 2.087 -4.682) 5.200 19.546 ( 1.975 -4.689 -15.892) 16.687 19.630 ( -0.432 -7.270 -7.821) 10.687 22.741 ( 5.505 45.228 25.433) 52.180 24.043 ( -43.324 41.996 1.876) 60.367 25.174 ( 4.610 -22.217 4.658) 23.163 25.483 ( 16.448 5.098 -9.511) 19.671 25.687 ( -6.618 -11.134 -1.308) 13.018 25.915 ( -1.798 8.702 -9.116) 12.730 26.385 ( 7.587 -13.601 -2.832) 15.830 26.751 ( -3.212 -10.522 -3.104) 11.431 ======================= Grid point 47 (21/60) ======================= q-point: ( 0.40 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 14.966 18.216 4.895) 24.078 1.775 ( 4.666 14.884 6.957) 17.079 2.126 ( -3.172 21.258 0.460) 21.498 2.212 ( -9.674 22.135 3.612) 24.425 2.390 ( 14.211 -6.587 2.605) 15.878 2.572 ( -6.328 -9.160 2.219) 11.353 2.748 ( 5.677 6.265 1.428) 8.574 2.817 ( -1.489 3.884 0.755) 4.228 2.862 ( 25.504 20.762 5.202) 33.296 3.118 ( 20.710 5.582 1.693) 21.516 3.142 ( -0.156 18.407 3.111) 18.668 3.163 ( 2.207 16.518 5.222) 17.464 3.403 ( -22.062 5.496 -1.659) 22.796 3.551 ( -8.751 18.448 -4.278) 20.861 3.604 ( -3.378 31.167 -5.627) 31.851 3.661 ( -12.518 23.313 -0.589) 26.468 3.816 ( 5.586 6.085 -5.112) 9.714 3.887 ( 9.627 9.844 -2.891) 14.069 3.955 ( -6.047 10.118 -5.321) 12.933 4.139 ( -12.479 3.445 -7.031) 14.732 4.331 ( 2.999 9.736 -2.074) 10.396 4.415 ( -6.996 7.078 0.050) 9.953 4.532 ( -1.384 -5.149 -0.934) 5.413 4.564 ( -3.728 -8.783 1.059) 9.600 4.819 ( 3.357 -6.964 -2.408) 8.097 4.879 ( -3.310 -5.776 0.052) 6.657 5.068 ( 2.712 2.694 -0.923) 3.933 5.113 ( -1.793 -0.617 0.922) 2.108 5.226 ( 2.749 -0.940 5.640) 6.345 5.293 ( -4.386 -2.225 3.328) 5.938 5.558 ( 6.909 -0.145 -1.418) 7.055 5.655 ( -2.886 -0.058 -1.707) 3.353 5.742 ( 6.305 -10.921 5.634) 13.812 5.778 ( 0.964 -7.243 4.042) 8.350 5.935 ( 4.181 -3.914 -2.167) 6.123 6.035 ( -4.729 -3.666 -0.875) 6.047 6.559 ( 12.943 6.441 0.131) 14.458 6.627 ( 4.492 15.033 -2.283) 15.855 6.679 ( 4.123 6.991 -1.589) 8.270 6.759 ( -3.625 9.299 2.036) 10.186 6.787 ( -4.733 6.889 1.691) 8.528 6.955 ( -15.574 -0.811 -0.221) 15.597 7.507 ( 1.388 0.208 2.052) 2.486 7.542 ( -2.111 2.505 3.201) 4.580 7.986 ( 11.936 -18.205 0.655) 21.779 8.012 ( 4.619 -11.263 -1.213) 12.234 8.054 ( 2.385 -22.208 0.032) 22.336 8.131 ( 0.666 4.742 -0.213) 4.793 8.275 ( -10.019 -16.938 3.287) 19.952 8.332 ( -9.468 -2.289 3.793) 10.453 8.940 ( 4.557 -18.147 -1.281) 18.755 8.999 ( -1.727 -18.064 -0.420) 18.152 9.384 ( 6.092 -0.024 -7.659) 9.786 9.472 ( -3.958 5.569 -14.007) 15.585 9.687 ( 4.670 -0.539 -1.677) 4.991 9.773 ( -5.048 6.369 0.545) 8.145 9.929 ( 0.210 -0.542 1.552) 1.658 9.939 ( -0.911 0.652 2.770) 2.988 10.186 ( 3.333 9.287 1.434) 9.971 10.242 ( -2.043 11.249 -1.871) 11.585 10.748 ( 3.226 -2.532 1.614) 4.407 10.812 ( -2.855 -1.028 2.229) 3.765 11.014 ( 6.651 -4.030 -0.913) 7.830 11.127 ( -3.392 4.512 2.085) 6.018 11.351 ( 0.827 23.199 -7.275) 24.327 11.398 ( -4.073 15.462 -6.663) 17.322 11.602 ( 1.927 15.581 2.383) 15.879 11.679 ( -5.284 17.281 3.003) 18.319 11.972 ( 7.599 -0.647 0.941) 7.684 12.025 ( 2.438 2.021 -6.736) 7.443 12.173 ( -2.858 5.439 -2.879) 6.785 12.199 ( -6.457 5.720 -1.740) 8.800 12.647 ( 5.496 -6.554 -2.432) 8.892 12.739 ( -0.906 -10.363 -8.398) 13.369 12.875 ( 3.497 -5.763 0.429) 6.755 12.989 ( -4.722 -9.490 -3.119) 11.049 13.223 ( 0.680 -1.787 9.522) 9.712 13.261 ( -2.311 -5.207 5.095) 7.643 13.669 ( 4.376 -14.219 3.330) 15.245 13.729 ( -1.591 -15.535 6.805) 17.035 14.017 ( 1.694 8.095 3.121) 8.840 14.049 ( -1.504 6.835 3.688) 7.911 14.421 ( 0.626 -5.671 2.499) 6.229 14.439 ( -1.210 -5.855 2.685) 6.554 15.623 ( 15.261 6.758 6.500) 17.912 15.955 ( -20.163 6.741 4.488) 21.729 16.064 ( 14.469 -9.794 7.668) 19.081 16.291 ( -10.239 -2.578 5.057) 11.707 16.840 ( 6.156 46.121 2.848) 46.617 16.966 ( -7.439 41.783 3.022) 42.547 18.504 ( 0.933 -5.719 -3.758) 6.907 18.528 ( -1.914 -6.119 -4.953) 8.101 18.916 ( 3.988 2.668 -3.195) 5.765 18.974 ( -2.434 4.926 -4.099) 6.855 19.171 ( 4.451 5.371 -21.456) 22.562 19.243 ( -3.113 0.856 -18.065) 18.351 19.334 ( 3.559 2.782 -4.496) 6.373 19.377 ( -0.999 2.962 -5.134) 6.011 19.585 ( 2.058 -4.462 -13.601) 14.462 19.615 ( -1.205 -5.468 -10.163) 11.603 22.923 ( 15.671 49.453 22.920) 56.715 23.344 ( -31.445 51.347 16.174) 62.345 25.292 ( 8.356 -21.044 4.301) 23.047 25.466 ( -10.075 -17.536 2.891) 20.430 25.760 ( 8.194 6.043 -12.177) 15.873 25.866 ( -3.882 7.890 -10.671) 13.827 26.534 ( 8.179 -11.773 -2.995) 14.645 26.666 ( -6.165 -10.883 -3.109) 12.888 ======================= Grid point 50 (22/60) ======================= q-point: ( 0.00 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 0.000 14.015 7.150) 15.733 1.641 ( 0.000 -9.991 4.325) 10.887 1.860 ( 0.000 24.231 10.507) 26.411 2.293 ( 0.000 -21.372 5.987) 22.195 2.373 ( 0.000 5.463 -7.078) 8.941 2.466 ( 0.000 -4.460 -4.488) 6.327 2.740 ( 0.000 3.146 8.329) 8.904 2.753 ( 0.000 1.261 8.281) 8.376 3.051 ( 0.000 3.546 -1.743) 3.951 3.063 ( 0.000 2.521 -6.268) 6.757 3.361 ( 0.000 8.639 -8.060) 11.815 3.451 ( 0.000 31.488 1.298) 31.515 3.556 ( 0.000 -1.189 -6.036) 6.152 3.625 ( 0.000 11.895 4.895) 12.863 3.799 ( 0.000 -4.666 1.651) 4.950 4.083 ( 0.000 -12.438 -9.714) 15.782 4.149 ( 0.000 5.153 -3.173) 6.052 4.233 ( 0.000 -9.119 1.280) 9.208 4.470 ( 0.000 21.000 -5.762) 21.776 4.508 ( 0.000 20.333 -2.452) 20.480 4.555 ( 0.000 5.651 -4.978) 7.530 4.574 ( 0.000 23.744 -1.273) 23.778 4.685 ( 0.000 2.386 -7.567) 7.934 4.771 ( 0.000 0.010 -11.307) 11.307 4.794 ( 0.000 -6.719 -1.954) 6.997 4.897 ( 0.000 -2.827 7.223) 7.757 4.981 ( 0.000 -6.744 2.758) 7.286 5.100 ( 0.000 -7.902 0.644) 7.929 5.114 ( 0.000 7.542 3.601) 8.357 5.253 ( 0.000 1.896 5.258) 5.590 5.381 ( 0.000 -6.393 6.808) 9.339 5.382 ( 0.000 -9.929 5.054) 11.141 5.670 ( 0.000 3.118 1.652) 3.528 5.719 ( 0.000 -6.406 1.891) 6.680 5.763 ( 0.000 1.924 3.012) 3.574 5.908 ( 0.000 -7.771 0.778) 7.810 6.345 ( 0.000 13.076 6.466) 14.587 6.494 ( 0.000 -2.124 2.360) 3.175 6.908 ( 0.000 -4.873 -2.250) 5.367 6.912 ( 0.000 -4.821 -1.549) 5.064 7.121 ( 0.000 13.820 -1.672) 13.920 7.308 ( 0.000 8.599 -7.628) 11.495 7.457 ( 0.000 4.374 -0.532) 4.407 7.594 ( 0.000 -9.497 -1.120) 9.563 7.607 ( 0.000 1.485 6.347) 6.518 7.768 ( 0.000 7.047 5.632) 9.021 7.781 ( 0.000 -6.821 3.541) 7.686 8.121 ( 0.000 -27.582 1.320) 27.613 8.241 ( 0.000 9.137 -0.181) 9.138 8.471 ( 0.000 -13.747 -0.963) 13.780 8.585 ( 0.000 0.125 5.469) 5.470 8.705 ( 0.000 -11.540 1.493) 11.636 9.171 ( 0.000 3.951 -1.981) 4.420 9.320 ( 0.000 -10.853 -3.087) 11.284 9.725 ( 0.000 9.716 -17.602) 20.106 9.890 ( 0.000 -2.474 -7.926) 8.304 9.936 ( 0.000 -4.197 -2.971) 5.142 9.964 ( 0.000 -1.435 1.769) 2.278 10.330 ( 0.000 4.553 4.020) 6.074 10.333 ( 0.000 4.960 5.768) 7.608 10.701 ( 0.000 0.312 5.314) 5.323 10.736 ( 0.000 -2.359 -3.210) 3.984 11.138 ( 0.000 9.915 2.339) 10.188 11.277 ( 0.000 0.736 -2.144) 2.267 11.607 ( 0.000 9.000 1.650) 9.150 11.663 ( 0.000 2.231 2.083) 3.052 11.785 ( 0.000 10.196 1.110) 10.257 11.808 ( 0.000 7.728 3.469) 8.470 11.962 ( 0.000 -4.890 -0.517) 4.918 12.022 ( 0.000 -6.891 -2.762) 7.423 12.213 ( 0.000 2.621 -2.133) 3.379 12.266 ( 0.000 -2.853 -2.980) 4.125 12.553 ( 0.000 7.939 -8.841) 11.882 12.668 ( 0.000 3.966 -0.588) 4.010 12.756 ( 0.000 -5.961 -13.639) 14.885 12.829 ( 0.000 -7.636 -6.139) 9.797 13.216 ( 0.000 -0.781 5.978) 6.029 13.334 ( 0.000 -11.280 3.267) 11.744 13.390 ( 0.000 -1.510 14.211) 14.291 13.427 ( 0.000 -3.798 7.279) 8.210 14.166 ( 0.000 8.490 1.223) 8.577 14.182 ( 0.000 5.706 2.567) 6.256 14.312 ( 0.000 -5.503 3.548) 6.548 14.340 ( 0.000 -7.378 2.702) 7.857 15.471 ( 0.000 5.574 9.173) 10.734 15.573 ( 0.000 -5.130 10.321) 11.526 16.530 ( 0.000 3.574 1.801) 4.002 16.561 ( 0.000 0.824 2.420) 2.556 17.598 ( 0.000 42.291 2.524) 42.366 17.802 ( 0.000 31.563 3.989) 31.814 18.245 ( 0.000 -24.839 0.293) 24.841 18.280 ( 0.000 -20.568 2.689) 20.743 18.928 ( 0.000 9.215 -8.325) 12.419 19.085 ( 0.000 -6.466 -12.536) 14.105 19.247 ( 0.000 10.505 -3.894) 11.203 19.262 ( 0.000 2.998 -4.288) 5.232 19.297 ( 0.000 0.677 -8.258) 8.285 19.392 ( 0.000 0.736 -10.035) 10.062 19.445 ( 0.000 -3.065 -15.135) 15.442 19.462 ( 0.000 -9.220 -4.920) 10.451 23.629 ( 0.000 52.573 15.563) 54.828 24.532 ( 0.000 -41.437 9.044) 42.413 25.102 ( 0.000 22.838 -6.925) 23.864 25.438 ( 0.000 -1.192 -0.427) 1.266 25.575 ( 0.000 5.487 -4.121) 6.862 25.948 ( 0.000 -21.636 -3.231) 21.876 26.184 ( 0.000 17.053 -7.599) 18.670 26.518 ( 0.000 -17.084 -5.064) 17.819 ======================= Grid point 51 (23/60) ======================= q-point: ( 0.20 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 21.000 14.139 4.224) 25.666 1.864 ( 19.043 -4.252 3.949) 19.908 1.930 ( 8.898 15.862 9.918) 20.716 2.296 ( 0.537 -16.027 4.836) 16.749 2.411 ( 3.914 4.064 -3.812) 6.809 2.502 ( 3.725 -2.834 -2.983) 5.551 2.700 ( -2.855 4.034 6.299) 8.006 2.751 ( -0.582 -0.944 6.866) 6.955 3.017 ( -2.239 4.473 -4.505) 6.732 3.057 ( -0.305 1.479 -4.072) 4.343 3.423 ( 3.611 9.486 -4.319) 11.031 3.511 ( 5.963 30.679 3.659) 31.467 3.551 ( -0.060 -0.030 -6.060) 6.060 3.654 ( 3.779 6.042 1.025) 7.199 3.761 ( -3.557 -4.664 -1.042) 5.958 4.086 ( 0.470 -7.851 -6.660) 10.306 4.131 ( -3.458 4.709 -3.962) 7.058 4.233 ( -0.156 -5.818 0.684) 5.860 4.388 ( -10.161 16.822 -1.469) 19.708 4.425 ( -8.236 9.582 -6.178) 14.064 4.445 ( -10.267 3.398 -1.988) 10.996 4.535 ( -4.104 21.917 2.333) 22.420 4.644 ( -2.860 2.572 -4.698) 6.072 4.708 ( -5.294 5.924 -1.428) 8.072 4.773 ( -1.503 4.850 -7.239) 8.842 4.853 ( -3.544 -1.445 3.001) 4.863 4.979 ( 3.090 -7.821 -0.993) 8.468 5.092 ( -0.827 -4.481 -2.549) 5.221 5.201 ( 4.440 2.057 3.805) 6.199 5.308 ( 2.293 2.627 6.085) 7.013 5.378 ( 3.471 -12.224 6.738) 14.383 5.414 ( 1.943 -4.540 6.269) 7.980 5.656 ( 0.237 -0.332 -0.140) 0.431 5.741 ( 2.191 -7.972 -0.890) 8.315 5.766 ( 0.017 4.834 2.908) 5.641 5.932 ( 0.888 -9.068 0.905) 9.156 6.452 ( 10.713 10.311 4.837) 15.636 6.565 ( 7.276 -0.940 1.390) 7.467 6.862 ( -0.608 4.137 -1.833) 4.565 6.974 ( 0.440 -5.160 -2.412) 5.713 7.099 ( -2.454 14.645 -2.296) 15.026 7.278 ( -2.475 12.662 -4.618) 13.703 7.459 ( 0.909 3.835 0.987) 4.063 7.531 ( -3.284 -8.238 2.654) 9.257 7.640 ( 1.168 -7.477 1.372) 7.691 7.718 ( -4.538 1.663 5.915) 7.638 7.778 ( -0.757 -8.148 3.481) 8.893 8.034 ( -8.556 -25.915 2.018) 27.365 8.262 ( 2.326 10.558 -0.097) 10.811 8.487 ( -0.483 -4.022 0.027) 4.051 8.551 ( -0.768 -6.977 2.662) 7.507 8.706 ( -0.710 -13.841 1.422) 13.932 9.258 ( 8.394 4.486 -2.401) 9.816 9.406 ( 8.136 -10.317 -2.794) 13.433 9.675 ( -4.699 7.732 -12.738) 15.625 9.821 ( -6.217 -7.413 -7.211) 12.067 9.972 ( 4.926 4.984 0.873) 7.061 10.042 ( 5.236 0.067 -1.767) 5.527 10.284 ( -2.575 6.433 6.108) 9.237 10.354 ( -0.057 0.856 1.621) 1.834 10.691 ( 0.069 0.731 3.669) 3.742 10.761 ( 2.521 -4.532 -1.982) 5.552 11.055 ( -8.263 9.518 2.743) 12.899 11.232 ( -6.031 -4.580 -0.904) 7.626 11.638 ( 2.768 9.706 2.999) 10.530 11.688 ( 2.856 9.213 -2.332) 9.923 11.805 ( 2.390 11.671 0.011) 11.913 11.845 ( 3.987 4.313 4.803) 7.587 11.959 ( -0.589 -3.659 -0.320) 3.720 12.053 ( 3.502 -4.283 -4.135) 6.907 12.175 ( -2.564 3.632 -1.926) 4.845 12.305 ( 1.943 -5.788 -2.056) 6.443 12.549 ( 0.102 9.027 -9.399) 13.033 12.662 ( -1.008 2.667 -3.616) 4.605 12.771 ( 0.431 -7.362 -10.643) 12.948 12.803 ( -1.834 -8.580 -4.763) 9.983 13.212 ( 0.136 0.532 6.535) 6.558 13.323 ( -2.811 -0.609 7.964) 8.468 13.362 ( 1.598 -6.601 5.899) 8.996 13.472 ( 1.690 -9.355 8.403) 12.688 14.162 ( -0.143 8.039 1.748) 8.228 14.185 ( 0.139 6.373 2.866) 6.989 14.306 ( -0.458 -5.966 3.098) 6.738 14.333 ( -0.704 -7.187 2.992) 7.817 15.541 ( 7.774 6.351 8.860) 13.389 15.662 ( 9.468 -6.657 9.933) 15.252 16.396 ( -13.904 4.658 3.019) 14.971 16.458 ( -10.870 -1.631 3.658) 11.585 17.618 ( 2.107 41.548 2.348) 41.668 17.781 ( -2.204 33.131 3.305) 33.369 18.249 ( 0.371 -24.298 0.005) 24.301 18.276 ( -0.362 -20.368 1.715) 20.443 18.954 ( 2.630 8.243 -7.704) 11.585 19.093 ( 0.907 -4.699 -11.982) 12.902 19.176 ( -3.894 5.613 -4.691) 8.287 19.266 ( -2.882 -2.261 -8.224) 9.003 19.340 ( 4.513 6.048 -6.294) 9.826 19.413 ( 1.795 1.760 -8.589) 8.949 19.465 ( 2.010 -3.909 -13.589) 14.282 19.486 ( 2.011 -6.757 -6.317) 9.466 23.691 ( 7.054 52.509 14.768) 55.001 24.584 ( 5.760 -40.646 8.572) 41.938 24.756 ( -27.331 33.992 -0.328) 43.618 25.301 ( -15.355 -23.540 1.207) 28.131 25.749 ( 13.928 15.599 -7.220) 22.124 26.076 ( 10.145 -16.921 -4.348) 20.203 26.165 ( -1.958 15.467 -7.410) 17.262 26.490 ( -3.100 -16.851 -5.033) 17.857 ======================= Grid point 52 (24/60) ======================= q-point: ( 0.40 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 10.862 16.321 2.643) 19.783 2.043 ( 2.997 14.109 6.336) 15.754 2.212 ( 11.582 -10.816 2.274) 16.009 2.303 ( -0.687 -11.578 4.155) 12.321 2.494 ( 4.167 12.595 2.345) 13.472 2.548 ( -0.750 11.446 2.201) 11.680 2.717 ( 4.233 -6.243 2.009) 7.805 2.750 ( 0.658 -7.452 3.039) 8.075 3.063 ( 12.238 4.757 -4.394) 13.846 3.124 ( 9.385 -1.916 -3.993) 10.377 3.345 ( -10.897 4.793 -1.392) 11.985 3.413 ( -18.920 -2.649 -2.445) 19.261 3.646 ( 8.865 27.397 5.124) 29.248 3.761 ( 3.789 9.212 -3.666) 10.614 3.823 ( 9.720 -0.529 -8.520) 12.936 3.992 ( -7.075 9.834 -3.645) 12.651 4.044 ( -6.776 3.337 -1.449) 7.691 4.157 ( -10.018 1.003 -6.254) 11.852 4.217 ( -2.021 0.562 1.707) 2.704 4.254 ( -5.643 -0.286 1.600) 5.872 4.388 ( 1.698 7.125 2.159) 7.636 4.447 ( -4.470 10.676 4.554) 12.437 4.598 ( -1.484 0.543 -2.039) 2.580 4.619 ( -3.795 4.078 0.709) 5.616 4.774 ( 1.310 11.916 -5.189) 13.062 4.805 ( -1.949 9.127 -3.685) 10.034 5.039 ( 2.673 -7.417 -4.421) 9.038 5.073 ( -1.309 -6.506 -4.533) 8.036 5.250 ( 1.961 4.682 4.595) 6.847 5.290 ( -2.415 4.884 5.479) 7.727 5.456 ( 3.470 -14.174 7.217) 16.280 5.472 ( 2.052 -10.323 7.400) 12.866 5.692 ( 3.281 1.378 -1.385) 3.818 5.748 ( -2.260 5.516 0.867) 6.023 5.806 ( 5.112 -8.708 -2.343) 10.365 5.901 ( -4.254 -9.269 -0.350) 10.205 6.677 ( 12.684 5.411 -0.257) 13.792 6.723 ( 9.044 1.156 -0.390) 9.126 6.846 ( -3.582 5.447 -1.498) 6.689 6.887 ( -9.013 1.030 -3.575) 9.751 7.082 ( 3.008 22.436 -0.629) 22.645 7.196 ( -7.143 23.165 0.813) 24.255 7.493 ( 3.066 -2.061 4.111) 5.527 7.549 ( 1.314 -16.640 0.672) 16.705 7.619 ( 0.200 -0.009 3.993) 3.998 7.672 ( -0.900 -16.321 0.394) 16.351 7.764 ( 0.289 -14.235 4.632) 14.973 7.856 ( -9.604 -20.722 4.041) 23.194 8.325 ( 4.425 11.998 0.150) 12.789 8.415 ( -5.283 9.917 0.972) 11.278 8.602 ( 4.184 -16.933 -0.199) 17.443 8.670 ( -3.086 -16.263 0.298) 16.556 9.424 ( 8.962 5.069 -3.986) 11.041 9.551 ( 1.767 -1.739 -5.730) 6.243 9.582 ( -0.260 -1.461 -4.521) 4.758 9.701 ( -6.851 -7.944 -4.104) 11.264 10.065 ( 4.849 10.363 1.871) 11.593 10.116 ( 0.912 11.033 1.382) 11.157 10.262 ( 1.587 -2.186 3.017) 4.050 10.324 ( -3.280 -3.316 0.412) 4.682 10.730 ( 4.789 3.288 1.895) 6.111 10.839 ( 1.663 0.569 0.327) 1.788 10.895 ( -3.130 -1.347 1.449) 3.702 11.059 ( -11.726 -9.505 0.251) 15.096 11.695 ( 3.067 14.488 -0.397) 14.814 11.727 ( 0.143 16.089 -2.962) 16.360 11.861 ( 3.746 3.695 -0.698) 5.308 11.926 ( -2.618 -0.073 -0.408) 2.650 11.961 ( 7.601 6.064 3.203) 10.237 12.084 ( -4.101 9.597 -3.100) 10.887 12.179 ( 5.643 -7.318 -1.906) 9.436 12.285 ( -4.344 -4.701 -2.534) 6.884 12.572 ( 2.236 5.854 -6.873) 9.301 12.622 ( -3.097 1.353 -6.232) 7.090 12.760 ( 0.581 -7.731 -4.400) 8.914 12.788 ( -1.353 -12.011 -6.836) 13.886 13.234 ( 2.167 4.473 6.641) 8.295 13.277 ( -2.345 6.818 7.314) 10.270 13.412 ( 3.445 -12.426 4.682) 13.718 13.468 ( -2.074 -12.254 6.439) 13.997 14.167 ( 0.691 7.669 2.692) 8.158 14.181 ( -0.638 7.152 3.323) 7.912 14.304 ( 0.319 -6.718 2.697) 7.246 14.317 ( -0.982 -6.974 2.994) 7.653 15.754 ( 15.521 7.211 7.641) 18.743 15.896 ( 15.670 -8.131 8.543) 19.613 16.080 ( -19.297 6.523 5.477) 21.093 16.199 ( -16.687 -6.072 6.198) 18.808 17.668 ( 3.300 39.435 2.086) 39.628 17.730 ( -3.293 36.361 2.323) 36.583 18.257 ( 0.554 -22.641 -0.269) 22.650 18.268 ( -0.565 -20.918 0.249) 20.927 19.014 ( 3.824 7.050 -6.575) 10.370 19.083 ( -3.238 6.314 -6.389) 9.548 19.149 ( 2.006 -5.248 -10.439) 11.855 19.205 ( -3.537 -4.722 -9.868) 11.497 19.410 ( 2.884 4.733 -7.069) 8.982 19.435 ( 0.145 3.395 -7.191) 7.954 19.502 ( 1.612 -4.468 -11.507) 12.449 19.513 ( 0.551 -5.016 -8.521) 9.903 23.896 ( 15.885 51.099 12.086) 54.859 24.268 ( -24.771 45.439 6.938) 52.215 24.743 ( 11.752 -37.876 7.053) 40.280 25.001 ( -16.290 -32.243 4.395) 36.391 25.962 ( 9.345 14.654 -8.095) 19.173 26.092 ( -5.231 15.521 -7.970) 18.215 26.264 ( 9.101 -16.258 -4.671) 19.209 26.405 ( -6.272 -16.377 -4.948) 18.221 ======================= Grid point 70 (25/60) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 0.000 0.000 26.798) 26.798 1.165 ( 0.000 0.000 22.373) 22.373 1.565 ( 0.000 0.000 4.517) 4.517 1.629 ( 0.000 0.000 1.201) 1.201 1.689 ( 0.000 0.000 -0.100) 0.100 1.856 ( 0.000 0.000 25.208) 25.208 2.000 ( 0.000 0.000 2.976) 2.976 2.142 ( 0.000 0.000 10.953) 10.953 2.753 ( 0.000 0.000 0.207) 0.207 2.755 ( 0.000 0.000 -2.013) 2.013 2.878 ( 0.000 0.000 1.826) 1.826 2.957 ( 0.000 0.000 0.266) 0.266 3.064 ( 0.000 0.000 0.485) 0.485 3.245 ( 0.000 0.000 -11.047) 11.047 3.248 ( 0.000 0.000 -6.609) 6.609 3.497 ( 0.000 0.000 3.797) 3.797 3.708 ( 0.000 0.000 -3.485) 3.485 3.850 ( 0.000 0.000 -0.550) 0.550 3.912 ( 0.000 0.000 -9.261) 9.261 4.162 ( 0.000 0.000 -8.216) 8.216 4.166 ( 0.000 0.000 0.421) 0.421 4.495 ( 0.000 0.000 1.324) 1.324 4.603 ( 0.000 0.000 -5.317) 5.317 4.739 ( 0.000 0.000 -3.178) 3.178 4.828 ( 0.000 0.000 -5.938) 5.938 4.919 ( 0.000 0.000 0.622) 0.622 4.970 ( 0.000 0.000 -6.190) 6.190 5.101 ( 0.000 0.000 -7.582) 7.582 5.250 ( 0.000 0.000 -9.266) 9.266 5.254 ( 0.000 0.000 11.686) 11.686 5.459 ( 0.000 0.000 9.796) 9.796 5.744 ( 0.000 0.000 5.201) 5.201 5.922 ( 0.000 0.000 -2.066) 2.066 5.933 ( 0.000 0.000 8.062) 8.062 6.009 ( 0.000 0.000 0.104) 0.104 6.053 ( 0.000 0.000 5.105) 5.105 6.080 ( 0.000 0.000 9.325) 9.325 6.283 ( 0.000 0.000 -3.407) 3.407 6.308 ( 0.000 0.000 7.609) 7.609 6.493 ( 0.000 0.000 0.951) 0.951 6.826 ( 0.000 0.000 4.177) 4.177 7.144 ( 0.000 0.000 -10.489) 10.489 7.303 ( 0.000 0.000 -1.180) 1.180 7.463 ( 0.000 0.000 -3.664) 3.664 7.518 ( 0.000 0.000 0.626) 0.626 7.855 ( 0.000 0.000 1.230) 1.230 7.972 ( 0.000 0.000 -4.513) 4.513 8.375 ( 0.000 0.000 0.939) 0.939 8.757 ( 0.000 0.000 -13.247) 13.247 8.927 ( 0.000 0.000 3.839) 3.839 8.949 ( 0.000 0.000 -3.909) 3.909 9.183 ( 0.000 0.000 3.910) 3.910 9.415 ( 0.000 0.000 -3.636) 3.636 9.535 ( 0.000 0.000 1.959) 1.959 9.666 ( 0.000 0.000 2.969) 2.969 9.680 ( 0.000 0.000 2.351) 2.351 9.689 ( 0.000 0.000 -1.524) 1.524 9.720 ( 0.000 0.000 5.811) 5.811 9.824 ( 0.000 0.000 -1.943) 1.943 10.137 ( 0.000 0.000 3.404) 3.404 10.318 ( 0.000 0.000 -2.124) 2.124 10.709 ( 0.000 0.000 -7.951) 7.951 10.709 ( 0.000 0.000 -6.432) 6.432 10.736 ( 0.000 0.000 -0.417) 0.417 10.815 ( 0.000 0.000 4.508) 4.508 11.287 ( 0.000 0.000 6.197) 6.197 11.411 ( 0.000 0.000 4.903) 4.903 11.662 ( 0.000 0.000 3.010) 3.010 11.933 ( 0.000 0.000 -10.382) 10.382 12.014 ( 0.000 0.000 -6.787) 6.787 12.108 ( 0.000 0.000 3.657) 3.657 12.173 ( 0.000 0.000 7.290) 7.290 12.552 ( 0.000 0.000 -2.895) 2.895 12.744 ( 0.000 0.000 -1.038) 1.038 13.002 ( 0.000 0.000 -3.134) 3.134 13.078 ( 0.000 0.000 -6.222) 6.222 13.492 ( 0.000 0.000 -1.840) 1.840 13.777 ( 0.000 0.000 4.476) 4.476 13.809 ( 0.000 0.000 11.453) 11.453 13.831 ( 0.000 0.000 -1.896) 1.896 14.012 ( 0.000 0.000 4.168) 4.168 14.611 ( 0.000 0.000 4.809) 4.809 14.647 ( 0.000 0.000 2.442) 2.442 15.179 ( 0.000 0.000 -1.089) 1.089 15.381 ( 0.000 0.000 12.610) 12.610 15.590 ( 0.000 0.000 3.499) 3.499 15.994 ( 0.000 0.000 -2.630) 2.630 16.097 ( 0.000 0.000 3.592) 3.592 16.123 ( 0.000 0.000 23.201) 23.201 16.534 ( 0.000 0.000 -1.840) 1.840 16.544 ( 0.000 0.000 -1.785) 1.785 18.472 ( 0.000 0.000 -4.817) 4.817 18.484 ( 0.000 0.000 -6.984) 6.984 18.522 ( 0.000 0.000 -33.599) 33.599 18.848 ( 0.000 0.000 0.177) 0.177 19.060 ( 0.000 0.000 -3.764) 3.764 19.212 ( 0.000 0.000 4.315) 4.315 19.324 ( 0.000 0.000 -0.655) 0.655 19.327 ( 0.000 0.000 -17.087) 17.087 19.546 ( 0.000 0.000 -16.048) 16.048 22.687 ( 0.000 0.000 38.104) 38.104 23.780 ( 0.000 0.000 4.341) 4.341 24.709 ( 0.000 0.000 -8.965) 8.965 25.455 ( 0.000 0.000 -19.423) 19.423 25.659 ( 0.000 0.000 8.104) 8.104 26.053 ( 0.000 0.000 4.598) 4.598 26.510 ( 0.000 0.000 -4.770) 4.770 26.855 ( 0.000 0.000 -5.371) 5.371 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.20 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 5.502 0.000 19.383) 20.149 1.247 ( 10.971 0.000 21.795) 24.400 1.540 ( -2.806 0.000 5.450) 6.130 1.633 ( 0.517 0.000 0.987) 1.114 1.683 ( -0.685 0.000 -0.015) 0.686 1.862 ( -4.245 0.000 5.866) 7.240 2.210 ( 12.385 0.000 26.683) 29.417 2.233 ( 23.109 0.000 3.472) 23.368 2.804 ( 1.304 0.000 -5.552) 5.703 2.834 ( 8.944 0.000 -0.587) 8.963 2.893 ( 3.305 0.000 1.281) 3.545 2.975 ( 1.675 0.000 0.835) 1.871 3.033 ( -3.504 0.000 1.657) 3.876 3.157 ( -3.645 0.000 -7.637) 8.462 3.413 ( 12.575 0.000 -8.456) 15.154 3.519 ( 2.319 0.000 3.390) 4.107 3.680 ( -2.897 0.000 -3.178) 4.301 3.761 ( -10.604 0.000 4.578) 11.550 3.903 ( -1.332 0.000 -9.599) 9.691 4.110 ( -3.739 0.000 -1.082) 3.893 4.114 ( -13.554 0.000 2.902) 13.861 4.317 ( -3.356 0.000 -13.857) 14.257 4.423 ( -16.409 0.000 -5.250) 17.228 4.677 ( -0.128 0.000 -2.495) 2.498 4.856 ( 5.406 0.000 -3.431) 6.403 4.977 ( 6.053 0.000 2.121) 6.414 5.038 ( 0.266 0.000 -3.210) 3.221 5.234 ( -2.101 0.000 11.163) 11.359 5.270 ( 6.497 0.000 -3.692) 7.473 5.427 ( 4.439 0.000 1.202) 4.599 5.544 ( 7.653 0.000 -0.525) 7.671 5.724 ( -6.035 0.000 6.387) 8.787 5.808 ( 1.753 0.000 5.837) 6.094 5.810 ( -4.486 0.000 -0.864) 4.569 6.030 ( 7.118 0.000 5.773) 9.165 6.057 ( -1.283 0.000 -1.429) 1.921 6.214 ( -2.150 0.000 -1.878) 2.855 6.417 ( 11.070 0.000 5.535) 12.377 6.476 ( 4.923 0.000 -1.353) 5.105 6.720 ( 6.730 0.000 1.525) 6.901 6.935 ( 38.748 0.000 -13.788) 41.128 7.084 ( -7.767 0.000 -7.639) 10.894 7.277 ( 0.060 0.000 -1.323) 1.324 7.357 ( -11.747 0.000 -3.131) 12.157 7.497 ( -2.941 0.000 -0.374) 2.965 7.849 ( 4.629 0.000 0.399) 4.646 8.067 ( 5.309 0.000 -3.113) 6.155 8.355 ( -2.567 0.000 -1.262) 2.860 8.690 ( -7.095 0.000 -9.117) 11.552 8.933 ( 0.113 0.000 -6.792) 6.793 9.017 ( 9.277 0.000 2.610) 9.637 9.103 ( -8.586 0.000 2.264) 8.880 9.435 ( 1.223 0.000 -3.437) 3.649 9.436 ( -9.241 0.000 -3.492) 9.878 9.646 ( -1.881 0.000 0.766) 2.031 9.692 ( 0.996 0.000 6.012) 6.093 9.706 ( -0.176 0.000 -0.517) 0.546 9.736 ( 3.621 0.000 -0.326) 3.636 9.946 ( 9.288 0.000 2.397) 9.592 10.191 ( 6.617 0.000 0.457) 6.633 10.314 ( -0.780 0.000 1.850) 2.008 10.626 ( -3.045 0.000 -2.668) 4.048 10.672 ( -3.790 0.000 -7.280) 8.207 10.761 ( -1.729 0.000 3.172) 3.612 10.912 ( 10.095 0.000 -2.955) 10.519 11.279 ( -1.636 0.000 7.503) 7.680 11.380 ( -1.659 0.000 5.232) 5.489 11.758 ( 3.152 0.000 -8.380) 8.953 11.827 ( -8.718 0.000 7.880) 11.752 11.928 ( -0.714 0.000 -9.314) 9.341 12.034 ( -6.468 0.000 1.665) 6.679 12.239 ( 1.921 0.000 5.297) 5.635 12.600 ( 4.673 0.000 -3.753) 5.994 12.805 ( 4.707 0.000 -4.839) 6.751 13.038 ( 0.197 0.000 -2.449) 2.457 13.079 ( 3.000 0.000 -5.087) 5.906 13.489 ( 0.016 0.000 -0.163) 0.164 13.705 ( -7.204 0.000 10.384) 12.639 13.800 ( 2.614 0.000 4.333) 5.061 13.917 ( 7.528 0.000 1.834) 7.748 14.002 ( -1.392 0.000 4.107) 4.336 14.601 ( -1.222 0.000 4.055) 4.235 14.627 ( -2.581 0.000 2.450) 3.559 14.833 ( -21.161 0.000 11.675) 24.168 15.432 ( 5.994 0.000 11.680) 13.129 15.618 ( 2.991 0.000 3.345) 4.487 15.917 ( -6.344 0.000 0.094) 6.344 16.093 ( -4.083 0.000 1.880) 4.495 16.475 ( -4.772 0.000 -0.573) 4.807 16.524 ( -1.449 0.000 -1.460) 2.057 16.807 ( 52.826 0.000 -4.349) 53.005 18.461 ( -0.830 0.000 -5.629) 5.690 18.464 ( -7.108 0.000 -32.382) 33.153 18.478 ( -0.824 0.000 -5.582) 5.643 18.851 ( 1.095 0.000 -2.489) 2.720 19.047 ( -2.355 0.000 -2.806) 3.663 19.245 ( 3.775 0.000 2.854) 4.732 19.343 ( 1.454 0.000 0.699) 1.613 19.345 ( 1.947 0.000 -17.363) 17.471 19.524 ( -2.374 0.000 -16.460) 16.631 22.684 ( 0.277 0.000 37.318) 37.319 23.400 ( -29.497 0.000 21.016) 36.218 24.972 ( 18.737 0.000 -19.531) 27.066 25.443 ( -1.562 0.000 -19.721) 19.782 25.686 ( 2.975 0.000 7.874) 8.418 25.997 ( -5.492 0.000 4.993) 7.423 26.562 ( 5.009 0.000 -4.853) 6.975 26.833 ( -2.488 0.000 -5.388) 5.935 ======================= Grid point 72 (27/60) ======================= q-point: ( 0.40 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 7.269 0.000 13.330) 15.183 1.459 ( 12.214 0.000 14.247) 18.765 1.462 ( -5.731 0.000 8.275) 10.066 1.647 ( 0.981 0.000 0.661) 1.183 1.666 ( -1.051 0.000 0.305) 1.095 1.688 ( -12.538 0.000 5.925) 13.867 2.535 ( 17.578 0.000 12.825) 21.759 2.674 ( 20.344 0.000 4.627) 20.864 2.747 ( -6.770 0.000 -2.892) 7.362 2.918 ( -8.217 0.000 1.766) 8.405 3.009 ( 4.227 0.000 -4.345) 6.061 3.026 ( 4.507 0.000 1.355) 4.706 3.119 ( 22.686 0.000 -0.278) 22.688 3.139 ( 6.329 0.000 3.264) 7.121 3.456 ( -20.884 0.000 14.553) 25.455 3.552 ( -7.322 0.000 0.153) 7.323 3.600 ( -3.538 0.000 -1.458) 3.826 3.664 ( 12.855 0.000 -9.256) 15.840 3.713 ( -18.957 0.000 4.151) 19.406 3.843 ( -6.150 0.000 -9.672) 11.462 4.088 ( 1.898 0.000 -4.433) 4.822 4.191 ( -9.485 0.000 -5.703) 11.067 4.413 ( 9.109 0.000 -11.991) 15.059 4.585 ( -8.695 0.000 -6.921) 11.113 4.963 ( 5.626 0.000 -2.974) 6.364 5.032 ( -1.658 0.000 -2.883) 3.326 5.096 ( 6.011 0.000 5.967) 8.470 5.182 ( -3.637 0.000 9.187) 9.880 5.374 ( 5.224 0.000 -1.813) 5.530 5.457 ( -1.947 0.000 3.234) 3.775 5.539 ( -0.382 0.000 4.678) 4.693 5.603 ( -5.368 0.000 6.453) 8.394 5.823 ( 5.426 0.000 -0.981) 5.514 5.960 ( -8.067 0.000 -1.289) 8.169 5.973 ( 9.992 0.000 0.420) 10.001 6.114 ( -4.523 0.000 1.742) 4.847 6.237 ( 10.512 0.000 1.704) 10.650 6.438 ( -8.890 0.000 -0.863) 8.932 6.650 ( 13.652 0.000 0.965) 13.686 6.795 ( 9.731 0.000 2.661) 10.088 6.890 ( -12.481 0.000 -3.044) 12.847 7.049 ( -16.672 0.000 0.724) 16.688 7.324 ( 4.348 0.000 -1.747) 4.686 7.416 ( -5.348 0.000 -0.996) 5.440 7.740 ( 33.770 0.000 -22.378) 40.512 7.985 ( 6.797 0.000 0.512) 6.817 8.107 ( -0.881 0.000 -2.806) 2.941 8.219 ( -13.950 0.000 -14.594) 20.189 8.633 ( 4.862 0.000 -0.363) 4.875 8.831 ( -13.324 0.000 0.862) 13.352 9.056 ( 6.764 0.000 -9.706) 11.831 9.221 ( 11.935 0.000 0.363) 11.941 9.236 ( -11.748 0.000 -9.091) 14.855 9.400 ( -6.383 0.000 -1.718) 6.610 9.636 ( 1.246 0.000 -0.596) 1.381 9.677 ( -2.567 0.000 -1.069) 2.780 9.728 ( 3.132 0.000 4.551) 5.524 9.774 ( -0.756 0.000 0.964) 1.225 10.107 ( 8.225 0.000 4.392) 9.324 10.230 ( -4.735 0.000 1.866) 5.090 10.399 ( 10.740 0.000 -0.602) 10.756 10.572 ( -7.540 0.000 -5.377) 9.261 10.630 ( 3.085 0.000 0.073) 3.086 10.704 ( -4.201 0.000 2.383) 4.830 11.150 ( 15.982 0.000 -5.527) 16.911 11.271 ( 2.248 0.000 7.685) 8.007 11.341 ( -3.728 0.000 5.527) 6.667 11.473 ( -18.902 0.000 -7.580) 20.365 11.913 ( -0.278 0.000 -6.370) 6.377 11.938 ( -3.291 0.000 -1.660) 3.686 12.012 ( 12.656 0.000 7.998) 14.971 12.195 ( -6.720 0.000 6.756) 9.530 12.702 ( 6.362 0.000 -6.172) 8.864 12.812 ( -4.541 0.000 -9.054) 10.129 13.063 ( 3.824 0.000 -0.338) 3.839 13.118 ( -0.808 0.000 -4.080) 4.159 13.514 ( 2.994 0.000 4.198) 5.156 13.590 ( -5.257 0.000 8.744) 10.203 13.870 ( 4.770 0.000 4.092) 6.285 13.954 ( -3.967 0.000 4.026) 5.652 14.126 ( 15.175 0.000 5.451) 16.125 14.426 ( -16.683 0.000 8.807) 18.865 14.605 ( 0.541 0.000 3.106) 3.153 14.635 ( -3.150 0.000 4.400) 5.411 15.606 ( 12.930 0.000 9.434) 16.005 15.693 ( 5.141 0.000 2.344) 5.650 15.798 ( -6.455 0.000 2.672) 6.987 15.896 ( -15.476 0.000 4.238) 16.046 16.448 ( 1.440 0.000 -0.330) 1.477 16.488 ( -2.417 0.000 -1.031) 2.628 17.674 ( 39.888 0.000 -21.700) 45.408 18.222 ( -20.929 0.000 -28.581) 35.425 18.452 ( -0.071 0.000 -5.572) 5.572 18.460 ( -0.892 0.000 -5.252) 5.327 18.898 ( 3.946 0.000 -4.436) 5.937 18.979 ( -4.577 0.000 -3.769) 5.929 19.319 ( 3.487 0.000 2.342) 4.200 19.355 ( -0.474 0.000 1.936) 1.993 19.396 ( 3.496 0.000 -17.757) 18.098 19.465 ( -3.872 0.000 -17.372) 17.798 22.731 ( 6.060 0.000 35.805) 36.315 22.947 ( -18.648 0.000 32.719) 37.660 25.243 ( 11.065 0.000 -22.828) 25.368 25.386 ( -5.134 0.000 -21.112) 21.727 25.765 ( 5.566 0.000 7.164) 9.072 25.880 ( -6.836 0.000 6.059) 9.135 26.666 ( 6.027 0.000 -5.141) 7.922 26.766 ( -4.753 0.000 -5.352) 7.158 ======================= Grid point 75 (28/60) ======================= q-point: ( 0.00 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 0.000 8.919 23.236) 24.889 1.400 ( 0.000 18.669 21.470) 28.451 1.948 ( 0.000 13.395 -0.401) 13.401 1.971 ( 0.000 0.396 2.029) 2.068 2.010 ( 0.000 36.262 1.700) 36.302 2.174 ( 0.000 27.834 28.929) 40.145 2.231 ( 0.000 51.616 0.723) 51.621 2.306 ( 0.000 23.214 1.368) 23.254 2.691 ( 0.000 -3.893 -0.231) 3.900 2.814 ( 0.000 4.746 -1.187) 4.892 2.941 ( 0.000 8.542 1.698) 8.709 2.961 ( 0.000 -4.405 0.257) 4.412 3.045 ( 0.000 3.506 -0.343) 3.523 3.259 ( 0.000 3.360 -7.918) 8.602 3.288 ( 0.000 5.579 -7.668) 9.483 3.586 ( 0.000 1.895 -3.078) 3.614 3.756 ( 0.000 4.771 -4.855) 6.807 3.846 ( 0.000 1.298 -1.530) 2.007 3.951 ( 0.000 3.938 -9.924) 10.677 4.141 ( 0.000 -0.624 -1.537) 1.659 4.240 ( 0.000 4.737 -6.593) 8.119 4.522 ( 0.000 3.278 0.828) 3.381 4.578 ( 0.000 -2.067 -6.153) 6.491 4.758 ( 0.000 -0.343 -6.604) 6.613 4.769 ( 0.000 2.298 -1.973) 3.029 4.988 ( 0.000 -1.058 -2.483) 2.699 5.128 ( 0.000 6.433 -0.285) 6.439 5.145 ( 0.000 4.563 -7.194) 8.519 5.188 ( 0.000 -3.507 9.841) 10.447 5.257 ( 0.000 2.929 -0.226) 2.937 5.525 ( 0.000 5.149 8.748) 10.151 5.675 ( 0.000 -5.697 3.836) 6.869 5.787 ( 0.000 -8.958 4.812) 10.169 5.790 ( 0.000 -0.980 4.997) 5.092 6.077 ( 0.000 -1.996 7.429) 7.693 6.102 ( 0.000 -3.446 0.946) 3.574 6.122 ( 0.000 5.028 5.933) 7.777 6.325 ( 0.000 5.190 -3.863) 6.470 6.512 ( 0.000 6.676 -1.491) 6.841 6.822 ( 0.000 5.237 3.739) 6.435 7.107 ( 0.000 15.796 -4.756) 16.496 7.255 ( 0.000 -6.465 -3.350) 7.282 7.329 ( 0.000 8.735 -3.390) 9.370 7.405 ( 0.000 36.840 -14.301) 39.519 7.558 ( 0.000 -1.443 -0.564) 1.550 7.924 ( 0.000 -3.994 -5.257) 6.602 7.944 ( 0.000 7.205 2.102) 7.505 8.367 ( 0.000 1.243 0.140) 1.250 8.434 ( 0.000 -23.586 3.216) 23.805 8.809 ( 0.000 1.249 -10.698) 10.770 8.977 ( 0.000 -13.716 1.968) 13.856 9.254 ( 0.000 -13.108 -3.697) 13.619 9.269 ( 0.000 -12.887 -2.137) 13.063 9.396 ( 0.000 8.862 -4.341) 9.869 9.448 ( 0.000 -12.861 2.876) 13.179 9.790 ( 0.000 5.349 2.695) 5.990 9.812 ( 0.000 2.100 -1.033) 2.341 9.919 ( 0.000 12.655 0.657) 12.672 9.926 ( 0.000 12.929 4.640) 13.737 10.229 ( 0.000 -7.429 -1.840) 7.653 10.445 ( 0.000 24.585 -1.272) 24.618 10.752 ( 0.000 7.045 0.404) 7.056 10.843 ( 0.000 14.281 -6.375) 15.639 10.875 ( 0.000 11.381 -1.559) 11.487 10.892 ( 0.000 8.785 -1.876) 8.983 11.238 ( 0.000 -4.074 5.097) 6.525 11.443 ( 0.000 5.272 1.868) 5.593 11.741 ( 0.000 7.233 5.284) 8.958 11.894 ( 0.000 -3.355 -8.619) 9.249 12.051 ( 0.000 -4.833 4.357) 6.507 12.064 ( 0.000 4.920 -7.662) 9.105 12.228 ( 0.000 4.381 5.654) 7.153 12.515 ( 0.000 -3.401 -3.518) 4.893 12.666 ( 0.000 -8.133 -0.878) 8.180 12.944 ( 0.000 -5.881 -3.238) 6.714 13.022 ( 0.000 -5.864 -6.347) 8.641 13.443 ( 0.000 -4.886 -2.396) 5.442 13.745 ( 0.000 -3.514 9.924) 10.528 13.746 ( 0.000 -8.162 -1.851) 8.369 13.877 ( 0.000 7.021 4.706) 8.452 14.057 ( 0.000 4.086 4.135) 5.813 14.535 ( 0.000 -28.367 10.232) 30.156 14.579 ( 0.000 -3.203 4.792) 5.764 14.645 ( 0.000 -11.762 7.366) 13.878 15.470 ( 0.000 5.222 11.448) 12.583 15.909 ( 0.000 25.517 7.489) 26.594 16.110 ( 0.000 6.808 17.095) 18.401 16.287 ( 0.000 13.755 5.044) 14.650 16.291 ( 0.000 17.675 4.287) 18.187 16.683 ( 0.000 17.759 0.685) 17.772 17.294 ( 0.000 60.380 -29.453) 67.180 18.415 ( 0.000 -1.628 -14.288) 14.381 18.517 ( 0.000 3.422 -7.615) 8.349 18.650 ( 0.000 8.552 -22.741) 24.295 18.825 ( 0.000 -2.638 -0.585) 2.702 19.071 ( 0.000 1.095 -4.405) 4.539 19.189 ( 0.000 -2.270 3.429) 4.113 19.301 ( 0.000 -2.681 -16.263) 16.483 19.314 ( 0.000 -1.120 -1.441) 1.825 19.513 ( 0.000 -3.361 -15.413) 15.775 22.823 ( 0.000 15.070 36.020) 39.045 23.939 ( 0.000 16.989 -1.367) 17.044 24.782 ( 0.000 7.945 -8.698) 11.780 25.486 ( 0.000 3.717 -18.639) 19.006 25.585 ( 0.000 -8.344 8.340) 11.797 26.012 ( 0.000 -4.695 4.706) 6.648 26.442 ( 0.000 -7.483 -4.813) 8.897 26.827 ( 0.000 -3.651 -5.502) 6.603 ======================= Grid point 76 (29/60) ======================= q-point: ( 0.20 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 9.354 8.955 18.734) 22.774 1.495 ( 8.976 20.320 17.822) 28.479 1.903 ( -4.813 20.268 1.041) 20.858 1.965 ( -6.258 28.180 1.675) 28.915 2.166 ( 14.275 6.975 2.960) 16.161 2.226 ( 0.062 48.923 0.764) 48.929 2.285 ( 7.849 31.080 6.097) 32.630 2.335 ( 13.043 13.153 21.028) 28.023 2.765 ( 6.211 -2.460 -0.546) 6.702 2.861 ( 4.676 4.146 -2.639) 6.783 2.940 ( -1.122 -1.218 1.924) 2.538 2.960 ( 1.707 3.362 0.490) 3.802 3.056 ( 1.301 5.906 -0.743) 6.093 3.191 ( -2.900 4.478 -6.183) 8.166 3.440 ( 11.806 3.796 -7.802) 14.651 3.588 ( 0.516 2.131 -0.676) 2.294 3.696 ( -6.290 3.452 -2.037) 7.459 3.824 ( -4.153 5.396 0.486) 6.826 3.920 ( -5.014 1.233 -7.853) 9.398 4.091 ( -5.237 1.218 -2.171) 5.799 4.175 ( -8.640 3.926 -0.823) 9.526 4.360 ( -5.714 3.921 -11.014) 13.013 4.469 ( -13.974 3.542 -6.044) 15.631 4.664 ( -1.535 -1.624 -2.438) 3.307 4.892 ( 4.194 2.858 -2.836) 5.814 4.985 ( 3.077 0.018 2.111) 3.731 5.034 ( -1.573 -1.241 -0.688) 2.118 5.197 ( 0.321 -1.908 8.672) 8.886 5.295 ( 3.249 1.390 -1.246) 3.747 5.368 ( 5.663 -4.304 -3.086) 7.753 5.530 ( 0.376 1.503 6.658) 6.836 5.649 ( -1.827 -1.224 3.004) 3.723 5.774 ( 2.546 -3.765 3.738) 5.885 5.868 ( 5.296 -2.223 2.805) 6.392 6.036 ( -0.193 -0.546 3.842) 3.885 6.109 ( -1.600 -0.396 0.185) 1.659 6.282 ( 9.683 3.705 4.622) 11.351 6.324 ( 3.932 3.537 -0.703) 5.335 6.486 ( 0.066 3.804 -1.448) 4.071 6.781 ( -4.093 3.538 3.956) 6.702 7.050 ( -9.166 -6.078 0.674) 11.019 7.201 ( -7.731 -4.073 -4.213) 9.701 7.369 ( 2.030 9.334 -2.618) 9.904 7.525 ( 8.318 12.292 -3.596) 15.271 7.662 ( 16.136 30.577 -16.732) 38.409 7.888 ( 2.881 2.206 -1.215) 3.826 8.046 ( 5.640 -0.325 -1.279) 5.792 8.356 ( -0.556 0.366 -0.118) 0.676 8.452 ( 0.642 -21.311 1.459) 21.371 8.736 ( -7.669 -4.305 -7.506) 11.563 8.973 ( 0.441 -7.034 -2.754) 7.567 9.134 ( -8.640 -12.736 -4.967) 16.171 9.342 ( 4.444 -11.733 -3.494) 13.024 9.415 ( 0.502 -7.509 0.568) 7.548 9.450 ( 0.736 4.541 -0.847) 4.677 9.739 ( -2.337 5.419 0.321) 5.910 9.909 ( 1.608 8.031 0.423) 8.201 9.931 ( 4.552 1.973 1.854) 5.296 9.943 ( 3.116 13.599 3.850) 14.473 10.211 ( -1.707 -5.601 -0.999) 5.940 10.517 ( 6.063 25.129 -2.993) 26.022 10.708 ( -3.727 6.265 -2.820) 7.816 10.766 ( -0.675 11.684 -0.669) 11.722 10.855 ( -3.765 10.011 -2.671) 11.024 11.013 ( 8.024 10.034 -2.537) 13.096 11.242 ( 0.235 -3.022 5.251) 6.063 11.399 ( -3.647 4.166 3.180) 6.385 11.818 ( -4.557 2.883 -8.864) 10.375 11.853 ( 3.245 3.286 11.875) 12.741 11.941 ( -3.797 2.988 -7.793) 9.169 11.999 ( -5.595 -2.541 -0.577) 6.172 12.274 ( 1.181 2.858 5.133) 5.992 12.560 ( 4.409 -3.629 -4.308) 7.153 12.721 ( 4.433 -8.625 -4.440) 10.666 12.978 ( 0.978 -6.166 -2.713) 6.807 13.024 ( 2.291 -5.634 -5.176) 7.986 13.437 ( -0.296 -5.189 -0.711) 5.245 13.640 ( -7.440 -4.802 9.612) 13.070 13.816 ( 5.258 -7.218 0.723) 8.959 13.902 ( 3.163 5.948 5.239) 8.534 14.047 ( -1.369 4.206 4.059) 6.003 14.432 ( -9.330 -24.198 11.695) 28.449 14.571 ( -0.671 -3.447 3.898) 5.247 14.629 ( -1.453 -5.879 5.207) 7.987 15.507 ( 5.077 5.923 11.800) 14.146 15.981 ( 4.305 33.260 3.493) 33.719 16.126 ( -1.215 12.209 6.630) 13.946 16.216 ( -7.688 9.612 5.262) 13.386 16.360 ( 7.361 1.721 10.776) 13.163 16.627 ( -4.793 17.838 2.492) 18.638 17.498 ( 21.205 49.770 -29.672) 61.702 18.392 ( -2.779 -1.059 -16.154) 16.426 18.507 ( -0.895 3.441 -7.178) 8.010 18.618 ( -3.598 8.989 -19.882) 22.114 18.838 ( 1.841 -1.554 -3.490) 4.241 19.043 ( -3.035 -0.322 -3.047) 4.313 19.236 ( 4.315 -0.986 1.994) 4.854 19.305 ( 0.991 -3.094 -12.073) 12.503 19.340 ( 1.963 -1.287 -5.374) 5.864 19.493 ( -2.200 -3.177 -15.722) 16.190 22.830 ( 1.200 15.983 35.148) 38.631 23.586 ( -28.117 19.685 14.384) 37.215 25.016 ( 16.995 5.287 -17.621) 25.046 25.472 ( -1.760 3.547 -18.823) 19.235 25.616 ( 3.343 -7.981 7.942) 11.745 25.949 ( -6.029 -5.443 5.020) 9.548 26.501 ( 5.652 -6.688 -4.851) 10.010 26.802 ( -2.823 -3.909 -5.482) 7.301 ======================= Grid point 77 (30/60) ======================= q-point: ( 0.40 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 12.815 9.745 11.885) 20.011 1.657 ( 7.201 20.760 11.926) 25.002 1.768 ( -10.816 15.397 4.789) 19.416 1.811 ( -7.687 29.040 7.008) 30.847 2.220 ( 0.083 41.446 0.398) 41.448 2.224 ( -0.216 45.987 0.103) 45.988 2.575 ( 15.178 4.213 6.266) 16.952 2.713 ( 17.995 7.076 6.528) 20.409 2.768 ( -4.856 3.307 0.179) 5.878 2.887 ( -3.684 0.093 -0.489) 3.717 3.044 ( 9.332 0.902 -1.864) 9.559 3.087 ( 2.705 7.592 -3.284) 8.703 3.117 ( 17.853 2.207 6.896) 19.266 3.176 ( 5.647 4.268 -1.419) 7.219 3.451 ( -18.671 0.574 9.716) 21.055 3.587 ( -20.272 0.602 -2.851) 20.480 3.633 ( 5.116 4.074 -1.719) 6.762 3.718 ( 5.910 2.960 -2.791) 7.175 3.739 ( -5.727 5.995 0.597) 8.312 3.921 ( -10.634 6.673 -5.626) 13.757 4.116 ( 3.206 3.138 -5.655) 7.218 4.235 ( -9.733 4.761 -5.567) 12.182 4.417 ( 7.205 0.336 -11.416) 13.504 4.569 ( -8.143 -1.816 -6.394) 10.511 4.963 ( 3.577 -0.826 -1.979) 4.170 5.010 ( -1.608 -2.871 -0.036) 3.291 5.074 ( 5.734 -2.030 5.713) 8.345 5.168 ( -3.841 -1.217 7.255) 8.299 5.348 ( 2.483 -2.042 -1.027) 3.375 5.385 ( -1.431 -4.389 0.286) 4.626 5.543 ( 2.077 1.042 4.590) 5.145 5.601 ( -3.478 1.209 2.925) 4.702 5.875 ( 7.261 0.838 0.222) 7.312 5.966 ( 4.986 -1.690 0.466) 5.285 6.013 ( -5.035 1.148 0.335) 5.176 6.061 ( -2.900 -5.416 2.332) 6.571 6.322 ( 5.723 9.513 -0.668) 11.122 6.457 ( -5.601 3.592 -1.819) 6.898 6.601 ( 15.254 -0.726 3.044) 15.572 6.750 ( 1.848 -0.378 1.890) 2.670 6.866 ( -7.936 -4.531 3.150) 9.667 6.988 ( -13.913 -4.230 -1.779) 14.651 7.427 ( 4.304 9.468 -0.548) 10.415 7.512 ( -4.466 6.858 0.936) 8.237 7.977 ( 10.532 5.628 -4.411) 12.730 8.074 ( 5.925 6.038 -2.688) 8.876 8.124 ( 10.307 8.325 -10.881) 17.145 8.322 ( -6.045 7.006 -5.284) 10.656 8.457 ( 3.260 -18.705 -0.982) 19.013 8.587 ( -8.260 -15.823 -1.463) 17.909 8.966 ( -0.795 0.387 -8.913) 8.957 9.004 ( -4.767 -8.941 -8.123) 12.986 9.384 ( 1.069 -14.852 -1.181) 14.937 9.407 ( -0.991 -16.585 0.078) 16.615 9.526 ( 7.172 14.919 -2.133) 16.690 9.662 ( -6.597 10.211 -0.981) 12.196 9.937 ( 1.504 8.556 1.573) 8.829 9.950 ( 0.095 11.405 2.904) 11.770 10.067 ( 6.545 -2.082 2.267) 7.233 10.163 ( -3.926 -4.843 1.382) 6.386 10.615 ( 5.649 18.784 -6.536) 20.675 10.705 ( -0.243 12.027 -4.446) 12.825 10.758 ( -1.227 16.071 -2.094) 16.253 10.775 ( -2.644 6.461 1.616) 7.165 11.158 ( 7.533 -0.791 0.283) 7.579 11.258 ( -0.856 -2.610 1.963) 3.376 11.355 ( 2.804 7.112 3.268) 8.314 11.558 ( -15.500 7.086 -2.832) 17.277 11.906 ( -0.601 -0.018 -6.053) 6.083 11.919 ( -2.232 -1.279 -2.375) 3.501 12.060 ( 11.537 4.614 7.540) 14.535 12.229 ( -6.229 2.858 6.620) 9.529 12.651 ( 5.456 -4.937 -6.810) 10.026 12.741 ( -3.217 -7.358 -9.315) 12.298 13.008 ( 3.608 -5.673 -0.187) 6.726 13.059 ( -0.585 -6.118 -4.101) 7.388 13.453 ( 2.330 -5.680 3.880) 7.262 13.521 ( -5.191 -5.791 8.642) 11.626 13.917 ( 5.012 0.592 2.279) 5.538 13.998 ( -3.114 2.515 3.509) 5.323 14.029 ( 10.071 -4.564 6.728) 12.943 14.241 ( -11.577 -15.064 9.643) 21.306 14.568 ( 0.650 -3.545 3.128) 4.772 14.595 ( -2.024 -3.819 3.632) 5.646 15.669 ( 12.680 5.914 10.058) 17.231 15.937 ( -14.958 7.762 6.510) 18.066 16.058 ( 2.639 32.451 3.389) 32.734 16.117 ( -3.432 25.178 3.024) 25.590 16.480 ( 4.945 0.430 7.821) 9.264 16.551 ( -3.569 11.109 4.821) 12.625 17.944 ( 24.182 24.784 -28.936) 45.125 18.278 ( -11.578 5.666 -24.459) 27.648 18.498 ( 0.410 4.524 -6.912) 8.271 18.537 ( -4.070 8.205 -11.143) 14.425 18.893 ( 4.017 -0.620 -4.949) 6.404 18.973 ( -4.447 -0.648 -3.974) 5.999 19.304 ( 2.656 -1.740 -0.375) 3.197 19.327 ( 0.404 -2.936 -3.696) 4.738 19.380 ( 2.831 -1.587 -12.352) 12.771 19.440 ( -3.427 -2.512 -15.655) 16.221 22.898 ( 7.499 18.314 32.908) 38.400 23.137 ( -19.414 20.444 27.812) 39.603 25.269 ( 10.648 3.336 -20.626) 23.451 25.411 ( -5.301 3.155 -19.638) 20.584 25.702 ( 5.955 -7.155 6.926) 11.603 25.824 ( -7.234 -6.400 5.931) 11.334 26.617 ( 6.641 -5.534 -5.147) 10.061 26.727 ( -5.269 -4.586 -5.393) 8.825 ======================= Grid point 80 (31/60) ======================= q-point: ( 0.00 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 0.000 11.320 17.326) 20.696 1.739 ( 0.000 16.375 17.259) 23.790 1.911 ( 0.000 -2.732 7.782) 8.248 2.147 ( 0.000 7.976 -1.149) 8.058 2.489 ( 0.000 5.826 0.494) 5.847 2.612 ( 0.000 -2.011 -3.169) 3.754 2.685 ( 0.000 12.181 2.160) 12.371 2.789 ( 0.000 30.491 7.614) 31.427 2.801 ( 0.000 -0.510 -1.665) 1.741 2.870 ( 0.000 4.070 5.355) 6.726 3.089 ( 0.000 9.005 -5.376) 10.488 3.135 ( 0.000 7.824 3.390) 8.527 3.351 ( 0.000 32.443 -0.983) 32.458 3.509 ( 0.000 7.987 -5.053) 9.451 3.568 ( 0.000 12.866 -4.305) 13.567 3.574 ( 0.000 31.153 -0.983) 31.168 3.874 ( 0.000 8.229 -10.375) 13.243 3.958 ( 0.000 12.887 -1.451) 12.969 4.069 ( 0.000 10.024 -9.253) 13.642 4.130 ( 0.000 -0.303 -1.574) 1.603 4.324 ( 0.000 4.258 -9.190) 10.129 4.538 ( 0.000 -2.272 -7.240) 7.588 4.584 ( 0.000 2.094 -0.816) 2.248 4.772 ( 0.000 -4.852 0.362) 4.866 4.836 ( 0.000 9.125 -5.467) 10.637 4.892 ( 0.000 -5.434 8.585) 10.160 5.108 ( 0.000 -5.250 2.458) 5.797 5.176 ( 0.000 -2.981 -0.432) 3.012 5.208 ( 0.000 3.723 -0.482) 3.754 5.329 ( 0.000 0.944 4.365) 4.466 5.569 ( 0.000 -5.727 2.428) 6.220 5.612 ( 0.000 0.155 4.905) 4.907 5.660 ( 0.000 -0.156 7.781) 7.782 5.804 ( 0.000 1.136 3.123) 3.323 5.922 ( 0.000 -11.740 -0.504) 11.751 6.021 ( 0.000 -4.871 -0.515) 4.898 6.280 ( 0.000 12.149 11.141) 16.484 6.434 ( 0.000 6.325 -1.461) 6.492 6.797 ( 0.000 21.434 -4.040) 21.811 6.914 ( 0.000 5.795 2.112) 6.168 7.040 ( 0.000 -11.270 -1.174) 11.331 7.065 ( 0.000 -5.500 1.312) 5.654 7.487 ( 0.000 -4.665 -0.068) 4.665 7.603 ( 0.000 13.493 2.891) 13.800 7.726 ( 0.000 -5.766 -3.619) 6.808 7.910 ( 0.000 -3.028 -1.332) 3.309 7.974 ( 0.000 -9.018 6.013) 10.839 8.157 ( 0.000 -0.983 0.867) 1.310 8.495 ( 0.000 -6.359 -11.546) 13.181 8.684 ( 0.000 1.529 6.848) 7.016 8.795 ( 0.000 -14.181 0.871) 14.208 8.970 ( 0.000 -15.545 -0.974) 15.575 9.089 ( 0.000 0.384 -11.331) 11.338 9.248 ( 0.000 -5.463 -3.672) 6.582 9.401 ( 0.000 -6.887 -6.773) 9.660 9.809 ( 0.000 -4.039 -6.240) 7.433 9.926 ( 0.000 7.927 -0.464) 7.940 10.016 ( 0.000 -4.558 0.849) 4.636 10.157 ( 0.000 12.622 2.925) 12.957 10.232 ( 0.000 10.351 2.734) 10.706 10.713 ( 0.000 3.728 1.259) 3.935 10.837 ( 0.000 -0.710 4.405) 4.462 11.098 ( 0.000 12.784 -0.848) 12.812 11.133 ( 0.000 3.066 0.065) 3.067 11.249 ( 0.000 25.616 -5.885) 26.283 11.265 ( 0.000 17.587 -1.047) 17.618 11.670 ( 0.000 17.205 -5.253) 17.989 11.827 ( 0.000 -3.521 -3.266) 4.802 11.894 ( 0.000 8.365 9.008) 12.293 11.979 ( 0.000 -1.597 1.117) 1.949 12.177 ( 0.000 6.707 -10.520) 12.476 12.261 ( 0.000 -2.902 3.727) 4.724 12.455 ( 0.000 -13.551 -0.539) 13.562 12.484 ( 0.000 1.811 -4.370) 4.730 12.797 ( 0.000 -9.299 -3.237) 9.846 12.871 ( 0.000 -9.676 -6.735) 11.789 13.329 ( 0.000 -6.589 -3.052) 7.262 13.555 ( 0.000 -11.562 -2.373) 11.803 13.670 ( 0.000 -3.791 10.209) 10.890 14.009 ( 0.000 -21.933 18.573) 28.741 14.035 ( 0.000 9.181 3.001) 9.659 14.149 ( 0.000 5.376 4.095) 6.758 14.501 ( 0.000 -4.967 4.974) 7.029 14.531 ( 0.000 -6.123 3.388) 6.998 15.586 ( 0.000 7.045 13.424) 15.160 15.971 ( 0.000 -4.699 19.599) 20.154 16.465 ( 0.000 8.190 2.025) 8.437 16.566 ( 0.000 9.874 7.409) 12.344 16.817 ( 0.000 47.855 6.222) 48.258 17.237 ( 0.000 37.041 4.972) 37.374 18.245 ( 0.000 34.499 -27.381) 44.045 18.409 ( 0.000 -0.683 -8.744) 8.771 18.603 ( 0.000 5.460 -9.626) 11.067 18.750 ( 0.000 -3.357 -4.483) 5.600 18.776 ( 0.000 3.339 -20.009) 20.285 19.095 ( 0.000 1.279 -6.531) 6.655 19.155 ( 0.000 0.066 -0.341) 0.347 19.236 ( 0.000 -3.901 -14.116) 14.645 19.278 ( 0.000 -2.896 -4.030) 4.962 19.427 ( 0.000 -5.563 -13.261) 14.381 23.271 ( 0.000 32.886 29.803) 44.382 24.389 ( 0.000 29.591 -7.465) 30.518 25.008 ( 0.000 15.235 -6.987) 16.761 25.325 ( 0.000 -19.257 8.960) 21.240 25.617 ( 0.000 9.858 -14.931) 17.892 25.864 ( 0.000 -10.493 2.425) 10.769 26.224 ( 0.000 -15.876 -5.097) 16.674 26.687 ( 0.000 -11.989 -6.272) 13.530 ======================= Grid point 81 (32/60) ======================= q-point: ( 0.20 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 11.243 13.568 13.000) 21.897 1.838 ( 8.983 16.282 15.359) 24.118 2.098 ( 13.508 -1.882 3.064) 13.978 2.205 ( 9.335 8.669 4.187) 13.410 2.444 ( -6.350 15.264 1.589) 16.609 2.594 ( 0.771 -1.800 -0.379) 1.994 2.698 ( 2.308 3.446 1.166) 4.309 2.721 ( -1.784 13.234 -1.320) 13.418 2.855 ( 1.710 -0.617 6.116) 6.380 2.934 ( 6.206 9.062 1.324) 11.062 3.133 ( 4.806 14.805 -1.767) 15.665 3.204 ( 4.987 12.430 1.860) 13.522 3.349 ( 1.189 27.273 -0.474) 27.303 3.469 ( -2.118 24.897 -6.049) 25.708 3.582 ( 2.547 4.246 -0.837) 5.022 3.673 ( 7.091 25.698 -3.511) 26.888 3.831 ( -4.740 11.678 -5.476) 13.742 3.932 ( -8.007 6.257 -1.576) 10.283 3.967 ( -5.776 7.745 -4.208) 10.538 4.162 ( 2.175 6.282 -7.014) 9.664 4.259 ( -8.488 5.064 -3.492) 10.482 4.435 ( -6.867 3.194 -9.537) 12.178 4.534 ( -6.550 1.629 -4.771) 8.266 4.633 ( -7.682 0.370 -1.285) 7.798 4.848 ( 0.626 -9.107 7.275) 11.673 4.978 ( 1.158 -0.323 0.357) 1.254 5.008 ( -2.193 -0.004 2.183) 3.094 5.189 ( -0.061 -1.614 2.500) 2.976 5.301 ( 3.547 -2.692 -2.326) 5.024 5.320 ( 0.327 0.908 3.221) 3.363 5.543 ( -1.247 -1.931 4.099) 4.700 5.651 ( 0.611 1.195 3.192) 3.463 5.687 ( 5.970 -4.633 3.673) 8.402 5.820 ( 1.467 -2.012 3.216) 4.068 5.908 ( -0.844 -11.141 -0.092) 11.173 6.047 ( 0.821 -4.778 -1.502) 5.075 6.394 ( 10.779 9.670 8.133) 16.609 6.472 ( 4.639 8.689 -0.987) 9.899 6.710 ( -6.425 16.930 -2.118) 18.231 6.876 ( -3.851 6.491 1.614) 7.718 6.922 ( -7.048 -4.977 0.896) 8.675 7.116 ( -2.918 -2.260 -1.226) 3.889 7.512 ( 3.095 -2.844 2.008) 4.658 7.608 ( 0.461 10.227 2.011) 10.433 7.799 ( 8.063 -9.739 -1.500) 12.732 7.922 ( 1.721 -4.420 -0.780) 4.807 8.010 ( 3.631 -12.964 3.599) 13.935 8.146 ( -1.065 0.960 0.473) 1.510 8.457 ( -5.684 -12.833 -6.121) 15.312 8.588 ( -8.928 -0.713 4.497) 10.022 8.814 ( 3.049 -12.345 -1.429) 12.796 8.991 ( 0.424 -8.821 -2.940) 9.308 9.132 ( 4.505 -1.427 -9.390) 10.513 9.224 ( -1.313 -2.202 -6.665) 7.141 9.498 ( 8.432 -5.500 -4.263) 10.933 9.806 ( -0.714 -2.622 -4.158) 4.967 9.939 ( 1.424 6.358 0.564) 6.540 10.001 ( -0.868 -1.497 1.746) 2.458 10.191 ( 2.771 10.790 1.995) 11.317 10.223 ( -0.476 9.492 2.789) 9.904 10.779 ( 3.528 1.647 0.747) 3.965 10.810 ( 0.635 0.994 3.177) 3.389 10.979 ( -6.417 8.155 -1.519) 10.488 11.185 ( 0.803 12.881 -1.566) 13.000 11.240 ( -1.799 15.448 -2.365) 15.731 11.316 ( 3.631 19.652 -3.794) 20.341 11.596 ( -5.503 14.222 -4.029) 15.773 11.816 ( -2.327 1.680 -1.438) 3.210 11.936 ( -0.286 1.985 3.507) 4.039 11.971 ( 2.484 2.770 7.383) 8.267 12.091 ( -4.284 10.450 -11.377) 16.031 12.280 ( 0.111 -3.642 2.492) 4.415 12.494 ( 4.216 -11.292 -4.402) 12.833 12.529 ( 2.865 -1.914 -3.415) 4.851 12.819 ( 1.857 -10.395 -3.702) 11.190 12.881 ( 1.367 -9.209 -5.141) 10.635 13.321 ( -0.167 -6.194 -1.379) 6.348 13.553 ( -5.000 -4.659 5.778) 8.950 13.630 ( 2.027 -10.345 4.963) 11.651 13.972 ( -2.963 -14.142 10.952) 18.130 14.070 ( 1.413 3.730 6.200) 7.372 14.151 ( 0.421 5.086 4.848) 7.039 14.488 ( -0.902 -5.196 4.102) 6.681 14.527 ( -0.680 -5.896 3.807) 7.051 15.636 ( 5.813 7.666 13.150) 16.294 16.080 ( 10.484 -6.798 17.760) 21.715 16.352 ( -11.761 7.941 3.875) 14.710 16.538 ( -3.287 7.954 8.072) 11.799 16.843 ( 2.913 47.457 5.973) 47.920 17.181 ( -5.758 37.905 5.328) 38.708 18.281 ( 3.273 25.485 -23.784) 35.013 18.397 ( -1.145 -0.252 -9.026) 9.102 18.612 ( 1.432 9.988 -12.798) 16.297 18.748 ( -1.614 3.324 -12.217) 12.764 18.795 ( 3.606 -1.894 -12.694) 13.331 19.050 ( -3.772 1.584 -5.093) 6.533 19.210 ( 3.691 -1.723 -1.774) 4.443 19.238 ( 0.789 -3.501 -14.571) 15.007 19.300 ( 1.831 -2.887 -4.934) 6.003 19.415 ( -1.343 -4.804 -13.260) 14.167 23.300 ( 3.523 34.123 28.692) 44.722 24.104 ( -23.694 33.794 4.450) 41.512 25.176 ( 11.870 8.575 -10.221) 17.858 25.376 ( 5.643 -14.952 5.521) 16.908 25.594 ( -2.830 7.791 -13.577) 15.907 25.783 ( -7.191 -10.557 1.536) 12.866 26.304 ( 7.285 -14.404 -5.215) 16.963 26.658 ( -3.196 -12.044 -6.249) 13.940 ======================= Grid point 82 (33/60) ======================= q-point: ( 0.40 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 12.388 14.918 8.239) 21.068 1.926 ( -3.196 13.112 7.124) 15.261 2.201 ( 3.750 21.163 7.336) 22.710 2.305 ( -7.026 19.974 4.935) 21.741 2.446 ( 10.228 -2.743 2.390) 10.856 2.592 ( -5.389 -4.929 -0.734) 7.340 2.780 ( 4.362 2.591 0.936) 5.160 2.796 ( 4.920 5.872 -1.991) 7.916 2.973 ( 18.865 -0.445 5.069) 19.539 3.072 ( 8.869 0.744 -1.783) 9.077 3.195 ( -3.326 7.662 -2.413) 8.694 3.281 ( 9.950 25.940 1.104) 27.804 3.381 ( -6.943 11.081 0.247) 13.079 3.468 ( 3.325 30.422 -4.843) 30.984 3.530 ( -13.099 19.163 4.115) 23.574 3.662 ( -10.434 9.276 -0.820) 13.985 3.778 ( 0.994 13.833 1.032) 13.907 3.810 ( 5.907 14.891 -4.856) 16.740 3.894 ( -3.132 10.297 1.892) 10.927 4.026 ( -12.394 4.245 -2.383) 13.316 4.233 ( 5.078 9.895 -7.347) 13.329 4.358 ( -7.909 7.654 -5.329) 12.229 4.424 ( 2.030 0.640 -9.691) 9.922 4.517 ( -6.390 -3.494 -4.590) 8.608 4.868 ( 1.750 -9.376 6.032) 11.285 4.912 ( -3.180 -6.559 3.661) 8.157 5.073 ( 4.450 1.067 1.285) 4.753 5.152 ( -3.827 -1.499 2.671) 4.902 5.312 ( 0.625 -2.442 1.562) 2.965 5.330 ( -0.971 -1.078 -0.610) 1.573 5.570 ( 3.943 1.241 3.027) 5.124 5.640 ( -2.704 2.536 1.168) 3.886 5.818 ( 6.942 -6.833 1.878) 9.920 5.858 ( 2.491 -8.721 3.063) 9.573 5.897 ( 0.406 -8.334 -1.761) 8.528 5.999 ( -6.197 -4.444 -2.558) 8.044 6.525 ( 5.248 9.408 -1.989) 10.955 6.617 ( -4.023 12.766 -1.056) 13.427 6.688 ( 15.377 7.268 3.793) 17.426 6.800 ( -2.638 5.842 2.174) 6.768 6.818 ( -3.840 1.005 1.320) 4.183 6.959 ( -12.916 4.492 0.900) 13.704 7.567 ( 2.604 2.044 3.574) 4.871 7.604 ( -1.253 4.869 2.513) 5.620 7.981 ( 6.527 -5.109 -1.714) 8.464 8.001 ( 9.868 -19.467 0.469) 21.830 8.055 ( -0.688 -17.246 0.112) 17.260 8.138 ( -0.281 1.547 0.915) 1.819 8.319 ( -5.457 -12.980 -0.024) 14.081 8.403 ( -10.381 -2.973 2.200) 11.020 8.896 ( 5.007 -11.510 -3.036) 12.914 8.970 ( -2.747 -10.121 -3.015) 10.912 9.194 ( 2.154 2.363 -9.854) 10.360 9.218 ( -0.186 2.503 -9.036) 9.378 9.654 ( 7.926 -2.199 -1.358) 8.337 9.765 ( -4.144 -1.482 -1.027) 4.519 9.971 ( 1.767 3.916 2.340) 4.892 9.992 ( -0.502 1.497 2.559) 3.007 10.226 ( 0.733 9.725 2.169) 9.991 10.230 ( 0.968 10.196 1.421) 10.340 10.768 ( 1.555 1.294 0.349) 2.053 10.847 ( -5.383 1.850 0.477) 5.712 10.983 ( 9.970 1.140 -2.169) 10.267 11.162 ( -7.666 7.831 -2.764) 11.302 11.208 ( 2.528 18.957 -3.105) 19.375 11.284 ( -5.574 15.281 -3.214) 16.580 11.595 ( 5.683 15.925 -1.613) 16.986 11.726 ( -7.221 11.794 0.333) 13.833 11.921 ( -0.029 2.069 -3.099) 3.727 11.944 ( -2.545 3.797 -5.060) 6.819 12.158 ( 6.894 5.155 4.792) 9.852 12.253 ( -3.263 -1.764 4.013) 5.465 12.551 ( 1.564 -6.646 -8.212) 10.680 12.563 ( 0.635 -8.443 -6.555) 10.708 12.863 ( 3.053 -9.497 -1.290) 10.059 12.900 ( -0.278 -10.375 -3.946) 11.104 13.343 ( 2.867 -4.680 3.260) 6.383 13.428 ( -6.394 -2.921 8.523) 11.047 13.739 ( 7.941 -13.363 3.411) 15.914 13.882 ( -7.003 -14.785 7.104) 17.836 14.102 ( 2.498 6.868 4.976) 8.841 14.145 ( -1.560 5.214 5.648) 7.844 14.483 ( 0.488 -5.419 3.342) 6.385 14.504 ( -1.582 -5.626 3.544) 6.834 15.805 ( 12.818 8.281 11.411) 19.055 16.081 ( -16.585 8.115 7.854) 20.065 16.284 ( 10.671 -5.438 14.087) 18.490 16.445 ( -6.974 1.924 10.416) 12.682 16.925 ( 6.060 44.840 5.646) 45.598 17.053 ( -7.682 40.662 5.614) 41.761 18.335 ( 2.433 9.253 -15.972) 18.618 18.371 ( -1.680 1.760 -10.953) 11.220 18.660 ( 3.390 14.061 -17.622) 22.798 18.714 ( -2.292 8.436 -18.026) 20.034 18.878 ( 5.132 -0.649 -7.246) 8.903 18.971 ( -4.888 1.198 -5.949) 7.792 19.245 ( 1.396 -4.218 -9.626) 10.602 19.264 ( 0.134 -3.032 -7.631) 8.212 19.339 ( 2.567 -2.802 -8.130) 8.974 19.383 ( -2.112 -3.310 -11.376) 12.034 23.421 ( 10.441 36.665 25.116) 45.653 23.693 ( -19.669 37.438 17.590) 45.803 25.356 ( 8.535 -2.296 -5.326) 10.319 25.486 ( -1.455 -3.101 -4.350) 5.537 25.527 ( 2.497 -1.908 -6.730) 7.428 25.650 ( -7.157 -5.730 -2.913) 9.620 26.446 ( 7.807 -13.017 -5.745) 16.230 26.574 ( -6.022 -12.320 -6.118) 15.016 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.00 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 0.000 9.858 12.573) 15.977 1.773 ( 0.000 -6.907 8.931) 11.291 2.107 ( 0.000 17.483 12.374) 21.419 2.292 ( 0.000 7.639 0.272) 7.643 2.406 ( 0.000 -11.135 0.729) 11.159 2.443 ( 0.000 -10.776 6.099) 12.382 2.813 ( 0.000 3.830 -1.495) 4.112 2.842 ( 0.000 1.036 -3.186) 3.350 2.962 ( 0.000 4.847 -0.255) 4.853 3.026 ( 0.000 -0.754 -1.908) 2.052 3.207 ( 0.000 6.297 -6.507) 9.055 3.313 ( 0.000 -1.490 -7.396) 7.545 3.556 ( 0.000 13.312 -3.119) 13.673 3.659 ( 0.000 5.020 -4.361) 6.649 3.841 ( 0.000 5.851 3.709) 6.928 3.874 ( 0.000 0.915 -7.357) 7.414 4.169 ( 0.000 6.734 6.084) 9.075 4.257 ( 0.000 8.922 -2.390) 9.236 4.366 ( 0.000 20.779 -5.532) 21.503 4.415 ( 0.000 8.216 -10.143) 13.053 4.417 ( 0.000 24.263 -5.848) 24.958 4.494 ( 0.000 -1.671 -7.018) 7.214 4.572 ( 0.000 -3.780 -3.531) 5.172 4.592 ( 0.000 -6.619 3.140) 7.326 4.817 ( 0.000 -4.377 4.766) 6.470 4.967 ( 0.000 -9.057 0.681) 9.083 5.071 ( 0.000 -2.293 4.398) 4.960 5.074 ( 0.000 10.476 -2.335) 10.733 5.255 ( 0.000 -4.849 5.766) 7.534 5.313 ( 0.000 5.726 0.408) 5.740 5.463 ( 0.000 -5.771 2.762) 6.397 5.473 ( 0.000 -12.252 3.964) 12.878 5.733 ( 0.000 -0.016 1.674) 1.674 5.777 ( 0.000 -3.921 2.307) 4.549 5.809 ( 0.000 5.523 3.069) 6.319 5.930 ( 0.000 -5.273 1.848) 5.588 6.515 ( 0.000 9.868 10.223) 14.209 6.547 ( 0.000 4.650 3.029) 5.550 6.877 ( 0.000 -4.501 -0.405) 4.519 6.920 ( 0.000 -6.194 2.757) 6.779 7.087 ( 0.000 8.657 -1.508) 8.787 7.158 ( 0.000 8.773 -7.137) 11.309 7.448 ( 0.000 3.437 -0.131) 3.439 7.573 ( 0.000 -8.671 -1.225) 8.757 7.744 ( 0.000 4.431 6.994) 8.279 7.835 ( 0.000 -2.252 1.647) 2.790 7.873 ( 0.000 2.745 4.395) 5.182 8.136 ( 0.000 -23.528 -0.309) 23.530 8.243 ( 0.000 8.282 0.592) 8.303 8.466 ( 0.000 -15.310 1.004) 15.343 8.726 ( 0.000 -2.043 8.075) 8.330 8.748 ( 0.000 -6.560 2.745) 7.111 9.106 ( 0.000 2.773 -4.582) 5.356 9.232 ( 0.000 -9.410 -5.787) 11.047 9.386 ( 0.000 14.462 -15.091) 20.902 9.645 ( 0.000 -12.316 -11.709) 16.994 9.981 ( 0.000 1.147 2.939) 3.155 10.005 ( 0.000 0.282 2.031) 2.051 10.393 ( 0.000 10.064 0.293) 10.068 10.413 ( 0.000 7.037 4.508) 8.357 10.701 ( 0.000 -2.005 1.271) 2.374 10.753 ( 0.000 -6.556 -0.253) 6.561 11.179 ( 0.000 4.613 1.494) 4.849 11.245 ( 0.000 0.811 -0.729) 1.090 11.624 ( 0.000 16.804 -0.865) 16.826 11.681 ( 0.000 15.692 -0.812) 15.713 11.833 ( 0.000 7.173 3.098) 7.814 11.885 ( 0.000 2.459 1.643) 2.958 11.938 ( 0.000 -5.808 -1.934) 6.122 12.011 ( 0.000 -1.506 4.332) 4.586 12.190 ( 0.000 -1.243 0.297) 1.278 12.204 ( 0.000 -5.475 -3.731) 6.625 12.341 ( 0.000 8.157 -10.100) 12.982 12.497 ( 0.000 -4.932 -10.520) 11.619 12.654 ( 0.000 -2.850 -1.372) 3.163 12.698 ( 0.000 -7.066 -6.366) 9.511 13.247 ( 0.000 -0.362 -2.392) 2.419 13.344 ( 0.000 -9.780 -2.279) 10.042 13.630 ( 0.000 0.403 11.750) 11.756 13.717 ( 0.000 -9.607 15.886) 18.565 14.201 ( 0.000 7.873 2.245) 8.187 14.246 ( 0.000 4.015 3.459) 5.299 14.405 ( 0.000 -4.657 5.369) 7.107 14.409 ( 0.000 -5.956 4.031) 7.192 15.724 ( 0.000 7.525 15.776) 17.478 15.860 ( 0.000 -6.787 18.028) 19.263 16.587 ( 0.000 5.187 3.872) 6.473 16.647 ( 0.000 -0.406 6.478) 6.490 17.673 ( 0.000 40.349 5.058) 40.665 17.901 ( 0.000 30.900 5.417) 31.371 18.251 ( 0.000 -19.481 0.001) 19.481 18.341 ( 0.000 -15.725 2.986) 16.006 18.703 ( 0.000 4.598 -13.543) 14.302 18.760 ( 0.000 -1.621 -19.668) 19.735 18.955 ( 0.000 16.128 -18.150) 24.281 19.112 ( 0.000 -0.103 -11.147) 11.148 19.164 ( 0.000 -2.119 -8.487) 8.748 19.194 ( 0.000 -6.127 -7.905) 10.001 19.217 ( 0.000 4.395 -7.674) 8.843 19.317 ( 0.000 -5.915 -9.522) 11.210 24.006 ( 0.000 42.881 20.808) 47.663 24.763 ( 0.000 -35.399 13.387) 37.846 24.973 ( 0.000 30.851 -4.595) 31.191 25.410 ( 0.000 16.933 -4.269) 17.463 25.498 ( 0.000 -16.669 -1.210) 16.713 25.858 ( 0.000 -22.436 -5.803) 23.174 25.974 ( 0.000 20.086 -13.103) 23.982 26.376 ( 0.000 -20.585 -8.972) 22.455 ======================= Grid point 86 (35/60) ======================= q-point: ( 0.20 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 15.268 12.204 8.938) 21.493 1.972 ( 18.309 -7.392 6.978) 20.941 2.150 ( 3.566 14.434 9.595) 17.695 2.369 ( 8.378 6.198 4.956) 11.540 2.422 ( 2.104 -10.668 2.178) 11.089 2.506 ( 7.174 -5.415 4.888) 10.231 2.767 ( -3.837 5.635 -0.728) 6.856 2.840 ( -0.809 -1.387 -1.844) 2.445 2.903 ( -4.788 5.322 -2.260) 7.506 2.978 ( -2.522 -2.132 -4.401) 5.502 3.302 ( 7.179 5.736 -6.157) 11.061 3.400 ( 7.566 -3.089 -5.636) 9.927 3.535 ( -2.048 11.876 -2.828) 12.379 3.666 ( -0.922 0.026 -6.435) 6.501 3.793 ( -0.905 11.272 4.325) 12.108 3.916 ( 0.334 0.119 -7.111) 7.119 4.123 ( -3.738 11.392 5.244) 13.087 4.247 ( -2.451 8.719 -3.779) 9.814 4.315 ( -7.609 10.202 -5.407) 13.829 4.349 ( -1.854 13.697 -0.213) 13.823 4.420 ( -3.448 6.423 -4.776) 8.715 4.485 ( -3.454 1.833 -4.597) 6.036 4.519 ( 1.828 13.392 -4.926) 14.386 4.634 ( 2.128 -1.510 -0.808) 2.732 4.731 ( -7.843 0.445 4.433) 9.020 4.899 ( -6.013 -7.846 1.544) 10.005 5.011 ( -2.060 -3.443 1.998) 4.483 5.073 ( -2.725 -6.172 -0.009) 6.747 5.299 ( 3.224 4.228 3.128) 6.169 5.387 ( 4.636 6.346 1.621) 8.024 5.474 ( 4.410 -5.977 2.915) 7.979 5.524 ( 2.532 -10.544 4.996) 11.939 5.678 ( -2.553 -1.246 1.320) 3.133 5.740 ( -2.348 -6.385 0.289) 6.810 5.815 ( -0.823 4.823 2.335) 5.421 5.943 ( -0.440 -6.666 0.430) 6.695 6.557 ( 4.419 6.888 4.070) 9.139 6.615 ( 6.121 2.939 4.978) 8.419 6.851 ( -0.223 3.024 1.017) 3.199 6.928 ( -3.249 -1.635 -2.056) 4.178 7.056 ( -1.822 13.132 -1.741) 13.371 7.199 ( 4.112 5.452 -2.543) 7.287 7.478 ( 3.226 0.933 1.034) 3.513 7.561 ( -1.112 -10.625 0.028) 10.683 7.711 ( -2.279 2.001 5.085) 5.921 7.825 ( -4.036 1.248 3.918) 5.762 7.846 ( -0.005 -5.100 3.437) 6.150 8.070 ( -6.639 -23.109 1.091) 24.069 8.265 ( 2.355 9.684 0.575) 9.983 8.486 ( 1.415 -11.388 0.435) 11.484 8.620 ( -6.278 -1.336 3.288) 7.212 8.754 ( -2.617 -12.361 3.558) 13.127 9.184 ( 7.656 5.697 -5.030) 10.787 9.334 ( 8.206 -8.292 -4.435) 12.480 9.403 ( 2.130 12.390 -12.414) 17.668 9.643 ( -0.619 -11.861 -8.967) 14.882 10.015 ( 3.898 3.100 2.673) 5.653 10.051 ( 4.914 1.500 1.559) 5.369 10.368 ( -2.644 7.850 0.599) 8.305 10.394 ( -1.888 6.021 4.330) 7.653 10.741 ( 2.031 -3.564 0.044) 4.103 10.749 ( 2.320 -4.543 2.809) 5.823 11.097 ( -7.877 7.226 1.199) 10.756 11.227 ( -3.914 -4.182 0.472) 5.748 11.625 ( -0.198 16.865 -3.968) 17.326 11.673 ( -0.789 14.104 -0.854) 14.152 11.807 ( -1.020 11.193 -0.243) 11.242 11.916 ( 2.400 0.432 0.377) 2.468 11.938 ( 0.507 -2.754 -2.152) 3.532 12.011 ( -0.559 -1.080 2.063) 2.395 12.169 ( -0.814 -2.035 0.983) 2.402 12.255 ( 2.543 -9.145 -2.424) 9.796 12.335 ( 1.020 12.767 -9.656) 16.040 12.544 ( 3.637 -3.328 -8.695) 9.995 12.623 ( -1.875 -5.914 -2.382) 6.645 12.706 ( 0.175 -8.629 -4.618) 9.789 13.262 ( 2.129 1.543 -0.554) 2.687 13.387 ( 4.331 -10.416 -0.838) 11.311 13.569 ( -5.709 2.829 11.957) 13.548 13.701 ( -2.537 -11.131 12.478) 16.913 14.210 ( 0.952 7.380 2.915) 7.992 14.253 ( 0.770 4.532 3.617) 5.849 14.386 ( -1.280 -4.916 4.508) 6.792 14.411 ( -0.500 -5.940 4.535) 7.491 15.787 ( 6.856 8.260 15.364) 18.743 15.940 ( 8.349 -7.975 17.464) 20.936 16.486 ( -10.648 6.332 5.888) 13.717 16.575 ( -7.758 -2.480 8.174) 11.539 17.687 ( 1.466 39.467 4.531) 39.753 17.864 ( -3.651 31.727 4.610) 32.267 18.245 ( -0.492 -18.582 -0.713) 18.602 18.309 ( -2.836 -15.142 1.131) 15.446 18.748 ( 4.159 2.597 -12.338) 13.277 18.781 ( 2.610 -0.689 -18.185) 18.385 18.954 ( -0.834 15.122 -16.143) 22.136 19.090 ( -4.543 1.506 -7.575) 8.960 19.144 ( 1.157 -3.742 -11.297) 11.957 19.197 ( 2.613 -4.573 -12.163) 13.254 19.262 ( 1.874 1.622 -7.665) 8.056 19.327 ( 0.517 -4.340 -9.787) 10.719 24.049 ( 4.970 43.145 19.849) 47.751 24.767 ( -16.824 33.278 2.298) 37.360 24.806 ( 3.949 -33.388 12.652) 35.922 25.348 ( -11.373 -25.155 3.778) 27.864 25.567 ( 10.641 19.955 -10.487) 24.928 25.937 ( 0.721 8.591 -11.318) 14.227 25.981 ( 5.834 -9.209 -8.845) 14.038 26.348 ( -3.037 -20.349 -8.956) 22.439 ======================= Grid point 87 (36/60) ======================= q-point: ( 0.40 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 11.410 14.380 5.176) 19.072 2.171 ( -2.618 12.796 5.703) 14.251 2.269 ( 11.591 -9.653 3.492) 15.483 2.392 ( -2.992 -9.596 3.963) 10.805 2.575 ( 5.200 11.587 5.255) 13.744 2.621 ( 0.573 10.293 4.384) 11.203 2.759 ( 3.566 -3.349 0.969) 4.987 2.808 ( -2.149 -5.716 1.416) 6.269 2.964 ( 17.631 1.969 -2.986) 17.991 3.023 ( 10.871 -3.732 -4.977) 12.525 3.283 ( -12.024 3.618 -3.591) 13.060 3.356 ( -16.750 -4.034 -1.815) 17.324 3.597 ( 9.175 9.133 -6.579) 14.521 3.694 ( 8.198 -2.028 -4.066) 9.373 3.797 ( -10.914 6.955 -8.338) 15.395 3.820 ( -0.746 6.537 -1.679) 6.790 4.105 ( -2.646 10.025 3.440) 10.924 4.128 ( -2.407 11.659 4.863) 12.860 4.218 ( -1.549 12.563 -3.204) 13.058 4.291 ( -5.626 6.723 1.255) 8.856 4.401 ( 3.435 2.746 -0.316) 4.409 4.467 ( -0.754 8.132 -4.509) 9.329 4.528 ( -0.379 11.024 -2.432) 11.296 4.577 ( -6.031 11.145 -3.326) 13.101 4.704 ( 3.860 1.496 1.831) 4.526 4.788 ( -5.580 -3.716 2.301) 7.088 4.996 ( 0.350 -11.627 -0.238) 11.634 5.022 ( -2.372 -12.246 -0.921) 12.507 5.346 ( 2.380 8.277 3.221) 9.195 5.393 ( -2.603 9.001 3.136) 9.881 5.571 ( 3.851 -5.158 3.311) 7.238 5.587 ( 3.127 -12.360 4.451) 13.504 5.680 ( 1.965 -2.197 0.342) 2.967 5.747 ( 1.364 -3.099 -1.960) 3.912 5.772 ( -0.499 -1.048 0.451) 1.245 5.882 ( -6.089 -7.449 -1.198) 9.696 6.664 ( 7.082 5.813 -0.771) 9.195 6.727 ( 5.766 -0.384 0.887) 5.847 6.808 ( -7.327 4.333 -2.621) 8.907 6.831 ( -4.369 0.628 -1.118) 4.554 7.094 ( 6.510 22.094 1.880) 23.109 7.216 ( -4.259 19.108 1.278) 19.618 7.555 ( 4.375 -12.567 0.827) 13.332 7.570 ( 2.220 -15.833 1.911) 16.102 7.689 ( -0.003 0.116 3.516) 3.518 7.736 ( -4.851 -2.308 4.748) 7.169 7.855 ( 1.616 -11.104 4.154) 11.965 7.934 ( -7.055 -18.290 3.336) 19.885 8.329 ( 4.824 10.987 0.365) 12.005 8.435 ( -6.314 7.874 0.772) 10.123 8.601 ( 3.606 -16.037 0.333) 16.440 8.682 ( -4.687 -15.837 0.898) 16.541 9.321 ( 6.174 8.676 -6.034) 12.239 9.387 ( -1.111 10.768 -8.779) 13.937 9.513 ( 7.053 -9.778 -3.019) 12.428 9.608 ( -3.513 -11.263 -4.651) 12.682 10.113 ( 5.952 8.744 2.598) 10.892 10.153 ( 3.923 8.886 2.168) 9.952 10.314 ( -1.815 -0.314 1.609) 2.446 10.349 ( -3.299 0.580 2.495) 4.176 10.771 ( 4.450 1.964 2.078) 5.290 10.871 ( 7.530 -5.019 2.918) 9.508 10.924 ( -8.486 4.381 1.430) 9.657 11.079 ( -11.376 -8.524 1.726) 14.320 11.630 ( 1.448 18.673 -5.827) 19.615 11.661 ( -1.170 18.564 -4.207) 19.070 11.829 ( 3.377 3.870 -2.681) 5.794 11.902 ( -3.470 -2.348 -2.351) 4.804 11.990 ( 3.437 4.373 -1.931) 5.888 12.011 ( 0.853 7.577 -2.201) 7.936 12.159 ( -0.208 -6.160 -1.312) 6.301 12.203 ( -4.835 -4.241 -5.034) 8.167 12.443 ( 7.216 4.669 -3.665) 9.344 12.540 ( -3.417 3.650 -2.474) 5.578 12.650 ( 3.379 -13.015 -4.161) 14.076 12.696 ( -1.476 -10.895 -3.106) 11.425 13.331 ( 5.468 4.357 3.501) 7.819 13.446 ( -6.226 4.955 7.013) 10.607 13.496 ( 6.178 -11.468 4.502) 13.783 13.619 ( -6.229 -12.256 7.730) 15.773 14.236 ( 1.787 7.045 3.900) 8.249 14.261 ( -0.442 6.315 4.301) 7.654 14.371 ( 0.097 -6.195 3.764) 7.250 14.391 ( -1.540 -6.309 4.020) 7.638 15.969 ( 13.039 9.099 13.614) 20.932 16.139 ( 12.967 -8.853 15.506) 22.067 16.237 ( -15.528 8.327 10.073) 20.296 16.381 ( -12.899 -6.571 12.002) 18.805 17.726 ( 2.890 37.124 3.579) 37.408 17.790 ( -4.062 34.143 3.479) 34.560 18.242 ( 0.345 -16.949 -1.568) 17.025 18.262 ( -1.972 -15.604 -1.058) 15.763 18.820 ( 3.930 4.288 -14.407) 15.537 18.859 ( 3.810 1.670 -11.886) 12.593 18.914 ( -1.681 5.777 -13.636) 14.904 18.990 ( -5.956 -1.323 -9.059) 10.922 19.196 ( 3.956 1.069 -13.545) 14.152 19.252 ( -0.242 1.251 -11.790) 11.858 19.273 ( 1.986 -3.355 -10.209) 10.928 19.319 ( -1.606 -3.529 -10.122) 10.839 24.193 ( 11.042 42.956 16.676) 47.384 24.447 ( -16.654 40.401 10.643) 44.976 24.929 ( 9.050 -33.670 11.143) 36.602 25.125 ( -12.212 -30.499 7.891) 33.787 25.749 ( 8.724 19.526 -12.754) 24.901 25.877 ( -5.387 19.681 -13.206) 24.306 26.133 ( 8.400 -19.767 -8.295) 23.024 26.266 ( -6.049 -19.916 -8.821) 22.606 ======================= Grid point 105 (37/60) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 0.000 0.000 12.970) 12.970 1.634 ( 0.000 0.000 1.733) 1.733 1.636 ( 0.000 0.000 24.693) 24.693 1.675 ( 0.000 0.000 3.651) 3.651 1.686 ( 0.000 0.000 -0.266) 0.266 1.913 ( 0.000 0.000 0.241) 0.241 2.104 ( 0.000 0.000 7.704) 7.704 2.695 ( 0.000 0.000 -9.638) 9.638 2.697 ( 0.000 0.000 -6.050) 6.050 2.745 ( 0.000 0.000 25.651) 25.651 2.834 ( 0.000 0.000 -4.675) 4.675 2.895 ( 0.000 0.000 -2.394) 2.394 3.068 ( 0.000 0.000 -4.488) 4.488 3.108 ( 0.000 0.000 4.200) 4.200 3.220 ( 0.000 0.000 6.450) 6.450 3.548 ( 0.000 0.000 0.500) 0.500 3.634 ( 0.000 0.000 -3.355) 3.355 3.739 ( 0.000 0.000 -7.244) 7.244 3.801 ( 0.000 0.000 -4.136) 4.136 3.878 ( 0.000 0.000 -16.379) 16.379 4.269 ( 0.000 0.000 8.702) 8.702 4.551 ( 0.000 0.000 0.089) 0.089 4.589 ( 0.000 0.000 4.218) 4.218 4.616 ( 0.000 0.000 -12.579) 12.579 4.672 ( 0.000 0.000 -3.594) 3.594 4.822 ( 0.000 0.000 -9.024) 9.024 4.968 ( 0.000 0.000 -5.175) 5.175 5.022 ( 0.000 0.000 10.253) 10.253 5.096 ( 0.000 0.000 -6.664) 6.664 5.471 ( 0.000 0.000 8.516) 8.516 5.655 ( 0.000 0.000 9.147) 9.147 5.854 ( 0.000 0.000 4.430) 4.430 5.890 ( 0.000 0.000 -0.769) 0.769 5.964 ( 0.000 0.000 -4.058) 4.058 6.055 ( 0.000 0.000 4.376) 4.376 6.126 ( 0.000 0.000 1.471) 1.471 6.252 ( 0.000 0.000 1.320) 1.320 6.296 ( 0.000 0.000 10.806) 10.806 6.438 ( 0.000 0.000 5.268) 5.268 6.526 ( 0.000 0.000 3.628) 3.628 6.905 ( 0.000 0.000 3.104) 3.104 6.908 ( 0.000 0.000 -12.624) 12.624 7.312 ( 0.000 0.000 2.197) 2.197 7.403 ( 0.000 0.000 -1.898) 1.898 7.516 ( 0.000 0.000 -1.131) 1.131 7.859 ( 0.000 0.000 -7.885) 7.885 7.877 ( 0.000 0.000 1.001) 1.001 8.189 ( 0.000 0.000 -15.936) 15.936 8.655 ( 0.000 0.000 1.442) 1.442 8.864 ( 0.000 0.000 -4.492) 4.492 9.030 ( 0.000 0.000 6.397) 6.397 9.299 ( 0.000 0.000 7.021) 7.021 9.344 ( 0.000 0.000 -3.565) 3.565 9.552 ( 0.000 0.000 -0.411) 0.411 9.665 ( 0.000 0.000 -0.643) 0.643 9.713 ( 0.000 0.000 0.729) 0.729 9.730 ( 0.000 0.000 3.747) 3.747 9.806 ( 0.000 0.000 -0.110) 0.110 9.834 ( 0.000 0.000 4.970) 4.970 10.218 ( 0.000 0.000 5.005) 5.005 10.229 ( 0.000 0.000 -6.549) 6.549 10.573 ( 0.000 0.000 -5.886) 5.886 10.617 ( 0.000 0.000 -2.800) 2.800 10.699 ( 0.000 0.000 -2.813) 2.813 10.930 ( 0.000 0.000 6.608) 6.608 11.403 ( 0.000 0.000 5.046) 5.046 11.508 ( 0.000 0.000 -13.147) 13.147 11.543 ( 0.000 0.000 8.459) 8.459 11.733 ( 0.000 0.000 -8.691) 8.691 12.073 ( 0.000 0.000 7.882) 7.882 12.099 ( 0.000 0.000 -5.729) 5.729 12.288 ( 0.000 0.000 3.588) 3.588 12.542 ( 0.000 0.000 2.630) 2.630 12.720 ( 0.000 0.000 -1.431) 1.431 12.975 ( 0.000 0.000 -3.673) 3.673 12.983 ( 0.000 0.000 0.322) 0.322 13.448 ( 0.000 0.000 -1.256) 1.256 13.761 ( 0.000 0.000 -5.252) 5.252 13.885 ( 0.000 0.000 6.152) 6.152 14.047 ( 0.000 0.000 12.513) 12.513 14.076 ( 0.000 0.000 1.839) 1.839 14.666 ( 0.000 0.000 -1.214) 1.214 14.710 ( 0.000 0.000 4.790) 4.790 15.084 ( 0.000 0.000 -8.465) 8.465 15.649 ( 0.000 0.000 13.735) 13.735 15.668 ( 0.000 0.000 4.230) 4.230 15.934 ( 0.000 0.000 -3.160) 3.160 16.159 ( 0.000 0.000 1.860) 1.860 16.488 ( 0.000 0.000 -3.530) 3.530 16.493 ( 0.000 0.000 -2.155) 2.155 16.655 ( 0.000 0.000 29.525) 29.525 18.022 ( 0.000 0.000 -16.989) 16.989 18.350 ( 0.000 0.000 -5.771) 5.771 18.372 ( 0.000 0.000 -4.898) 4.898 18.869 ( 0.000 0.000 1.695) 1.695 18.955 ( 0.000 0.000 -19.019) 19.019 18.996 ( 0.000 0.000 -2.703) 2.703 19.183 ( 0.000 0.000 -19.577) 19.577 19.275 ( 0.000 0.000 2.064) 2.064 19.310 ( 0.000 0.000 -0.612) 0.612 23.390 ( 0.000 0.000 32.881) 32.881 23.892 ( 0.000 0.000 7.067) 7.067 24.504 ( 0.000 0.000 -11.393) 11.393 25.030 ( 0.000 0.000 -23.106) 23.106 25.838 ( 0.000 0.000 9.704) 9.704 26.176 ( 0.000 0.000 7.782) 7.782 26.392 ( 0.000 0.000 -7.164) 7.164 26.723 ( 0.000 0.000 -7.919) 7.919 ======================= Grid point 106 (38/60) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 1.560 0.000 11.751) 11.854 1.633 ( -0.373 0.000 2.590) 2.617 1.666 ( -0.677 0.000 2.910) 2.988 1.681 ( 4.055 0.000 21.163) 21.548 1.683 ( -0.364 0.000 0.133) 0.387 1.893 ( -2.251 0.000 3.100) 3.831 2.326 ( 21.973 0.000 5.824) 22.732 2.604 ( -5.983 0.000 -4.716) 7.618 2.672 ( -5.327 0.000 -5.123) 7.390 2.767 ( 6.992 0.000 -5.859) 9.123 2.947 ( 8.230 0.000 5.626) 9.969 3.033 ( 7.487 0.000 13.314) 15.275 3.104 ( -0.019 0.000 5.582) 5.582 3.110 ( 7.303 0.000 -3.222) 7.982 3.277 ( 8.143 0.000 0.525) 8.160 3.565 ( 1.578 0.000 -0.361) 1.618 3.605 ( -2.671 0.000 -2.706) 3.803 3.725 ( -1.789 0.000 -7.420) 7.633 3.784 ( -2.106 0.000 -2.759) 3.471 3.952 ( 7.792 0.000 -15.369) 17.232 4.193 ( -7.041 0.000 7.716) 10.445 4.266 ( -21.609 0.000 5.748) 22.361 4.327 ( -15.051 0.000 -2.994) 15.346 4.623 ( -5.117 0.000 -3.263) 6.069 4.745 ( 4.246 0.000 -6.545) 7.802 4.884 ( 0.718 0.000 -12.193) 12.215 5.102 ( 7.835 0.000 10.072) 12.760 5.185 ( 9.368 0.000 -3.147) 9.883 5.336 ( 24.942 0.000 -6.775) 25.846 5.448 ( -2.592 0.000 9.076) 9.439 5.652 ( -0.272 0.000 7.459) 7.464 5.798 ( -3.927 0.000 -0.069) 3.928 5.816 ( -3.483 0.000 3.978) 5.287 5.993 ( -8.048 0.000 9.506) 12.455 5.996 ( -1.149 0.000 -4.413) 4.560 6.125 ( 5.287 0.000 4.060) 6.666 6.170 ( -1.029 0.000 -1.990) 2.241 6.443 ( 1.359 0.000 -2.405) 2.763 6.510 ( 7.142 0.000 3.741) 8.063 6.738 ( 22.841 0.000 3.115) 23.052 6.871 ( 1.178 0.000 1.924) 2.255 6.896 ( -2.092 0.000 -10.523) 10.729 7.284 ( -1.668 0.000 1.923) 2.546 7.306 ( -11.227 0.000 -1.652) 11.347 7.479 ( -3.886 0.000 -1.598) 4.202 7.838 ( 4.661 0.000 -3.949) 6.110 7.991 ( 4.374 0.000 -4.936) 6.595 8.156 ( -4.010 0.000 -12.692) 13.311 8.631 ( -2.042 0.000 1.411) 2.482 8.820 ( -2.674 0.000 -4.725) 5.429 9.096 ( 6.735 0.000 5.091) 8.442 9.185 ( -11.716 0.000 5.029) 12.750 9.366 ( 1.830 0.000 -3.433) 3.890 9.387 ( -15.142 0.000 -1.883) 15.258 9.646 ( -1.756 0.000 -0.262) 1.776 9.703 ( -1.630 0.000 -0.246) 1.649 9.732 ( 4.634 0.000 1.437) 4.852 9.810 ( -0.464 0.000 4.365) 4.390 9.997 ( 11.016 0.000 2.270) 11.247 10.190 ( 1.265 0.000 -1.208) 1.749 10.338 ( 6.169 0.000 1.348) 6.315 10.553 ( -1.945 0.000 -4.626) 5.018 10.593 ( 0.006 0.000 -0.339) 0.339 10.770 ( 4.411 0.000 -2.960) 5.312 10.917 ( 0.371 0.000 4.094) 4.111 11.416 ( 0.979 0.000 5.535) 5.621 11.476 ( -5.927 0.000 -14.524) 15.687 11.503 ( -3.244 0.000 7.407) 8.086 11.760 ( 2.397 0.000 -6.498) 6.926 12.035 ( -6.229 0.000 -3.219) 7.012 12.061 ( 2.751 0.000 11.132) 11.467 12.337 ( 2.590 0.000 3.378) 4.256 12.538 ( 0.298 0.000 -1.362) 1.394 12.708 ( -2.264 0.000 -4.780) 5.289 12.997 ( 2.589 0.000 -1.855) 3.185 13.029 ( 3.781 0.000 -0.211) 3.786 13.482 ( 3.521 0.000 0.383) 3.542 13.761 ( -1.097 0.000 -3.227) 3.408 13.901 ( 1.833 0.000 5.566) 5.860 14.065 ( -1.358 0.000 1.888) 2.325 14.068 ( 4.432 0.000 11.916) 12.713 14.647 ( -2.046 0.000 -1.050) 2.300 14.684 ( -2.615 0.000 4.110) 4.871 14.938 ( -13.097 0.000 -1.164) 13.148 15.664 ( 2.550 0.000 8.296) 8.679 15.709 ( 3.749 0.000 8.256) 9.068 15.899 ( -3.393 0.000 -1.524) 3.720 16.135 ( -3.752 0.000 1.502) 4.042 16.453 ( -2.232 0.000 -1.437) 2.655 16.491 ( -0.842 0.000 -1.894) 2.072 16.968 ( 29.018 0.000 17.410) 33.840 18.003 ( -2.782 0.000 -14.295) 14.563 18.345 ( -0.335 0.000 -5.284) 5.294 18.369 ( -0.465 0.000 -5.126) 5.147 18.819 ( -2.928 0.000 -0.497) 2.970 18.963 ( 1.002 0.000 -19.877) 19.902 18.979 ( -3.484 0.000 -3.950) 5.267 19.151 ( -3.392 0.000 -20.095) 20.379 19.296 ( 3.519 0.000 2.297) 4.202 19.359 ( 3.151 0.000 0.650) 3.218 23.354 ( -3.058 0.000 30.043) 30.198 23.715 ( -15.307 0.000 12.668) 19.869 24.637 ( 11.303 0.000 -14.650) 18.504 25.026 ( -0.944 0.000 -21.780) 21.801 25.862 ( 2.624 0.000 9.632) 9.983 26.125 ( -4.799 0.000 7.615) 9.001 26.444 ( 4.824 0.000 -6.837) 8.368 26.700 ( -2.481 0.000 -7.910) 8.290 ======================= Grid point 107 (39/60) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 2.388 0.000 8.921) 9.235 1.610 ( -2.078 0.000 5.817) 6.178 1.663 ( 0.394 0.000 1.111) 1.179 1.673 ( -0.607 0.000 0.503) 0.788 1.758 ( 4.242 0.000 15.118) 15.701 1.834 ( -4.022 0.000 9.118) 9.966 2.540 ( -0.712 0.000 -10.057) 10.082 2.576 ( -4.372 0.000 -10.837) 11.686 2.734 ( 17.116 0.000 0.832) 17.136 2.875 ( 0.915 0.000 -5.198) 5.278 3.041 ( 3.362 0.000 4.845) 5.897 3.082 ( -0.892 0.000 7.413) 7.466 3.191 ( 14.627 0.000 7.318) 16.355 3.374 ( 18.648 0.000 10.016) 21.167 3.501 ( 13.322 0.000 -4.524) 14.070 3.501 ( -10.400 0.000 -3.007) 10.826 3.625 ( 4.517 0.000 2.547) 5.186 3.647 ( -8.639 0.000 -4.689) 9.829 3.700 ( -8.065 0.000 1.076) 8.136 3.832 ( -21.449 0.000 7.823) 22.831 4.076 ( -3.932 0.000 4.930) 6.306 4.109 ( -7.958 0.000 0.411) 7.969 4.159 ( 13.868 0.000 -13.234) 19.169 4.430 ( -14.505 0.000 -8.689) 16.909 4.824 ( 3.938 0.000 -9.545) 10.326 4.876 ( -1.660 0.000 -11.855) 11.970 5.255 ( 8.050 0.000 9.510) 12.460 5.377 ( -5.307 0.000 9.550) 10.926 5.390 ( 11.740 0.000 3.532) 12.260 5.547 ( -2.444 0.000 3.981) 4.671 5.653 ( 1.955 0.000 6.228) 6.528 5.732 ( -5.794 0.000 5.564) 8.033 5.806 ( 4.395 0.000 -0.694) 4.449 5.917 ( -6.514 0.000 -2.980) 7.163 5.982 ( 7.400 0.000 1.054) 7.474 6.116 ( -5.368 0.000 -1.013) 5.463 6.267 ( 8.906 0.000 0.905) 8.952 6.408 ( -5.349 0.000 -2.460) 5.888 6.660 ( 8.795 0.000 0.124) 8.796 6.810 ( -7.161 0.000 -4.767) 8.603 6.840 ( 5.651 0.000 1.878) 5.955 7.040 ( -14.468 0.000 -2.227) 14.638 7.299 ( 3.488 0.000 -0.576) 3.536 7.370 ( 32.665 0.000 -11.627) 34.672 7.388 ( -5.637 0.000 -1.805) 5.919 7.847 ( -16.253 0.000 -19.407) 25.314 8.011 ( 5.478 0.000 1.739) 5.748 8.090 ( -2.301 0.000 -0.752) 2.421 8.646 ( 5.668 0.000 0.666) 5.707 8.793 ( -4.517 0.000 -4.609) 6.453 8.980 ( -4.216 0.000 1.275) 4.405 9.109 ( -13.662 0.000 -3.861) 14.198 9.246 ( 8.827 0.000 2.069) 9.066 9.367 ( -3.212 0.000 -1.533) 3.559 9.621 ( -0.097 0.000 -0.792) 0.798 9.654 ( -3.079 0.000 -1.234) 3.317 9.808 ( 2.492 0.000 2.584) 3.590 9.819 ( 0.711 0.000 4.506) 4.562 10.156 ( 6.185 0.000 0.012) 6.185 10.214 ( -0.248 0.000 -2.217) 2.231 10.435 ( 4.762 0.000 2.647) 5.448 10.508 ( -3.163 0.000 -1.108) 3.351 10.648 ( 5.543 0.000 1.872) 5.850 10.755 ( -5.073 0.000 2.451) 5.634 11.037 ( 11.713 0.000 -5.279) 12.848 11.280 ( -13.852 0.000 -10.502) 17.383 11.428 ( 0.730 0.000 7.193) 7.230 11.455 ( -2.082 0.000 6.121) 6.465 11.817 ( 4.120 0.000 -3.394) 5.338 11.913 ( -6.386 0.000 -1.675) 6.602 12.191 ( 9.266 0.000 8.963) 12.891 12.325 ( -4.364 0.000 5.445) 6.978 12.567 ( 2.946 0.000 -6.235) 6.895 12.639 ( -4.570 0.000 -7.800) 9.040 13.052 ( 2.699 0.000 -0.502) 2.745 13.075 ( 0.592 0.000 -0.662) 0.888 13.572 ( 6.304 0.000 2.367) 6.733 13.691 ( -6.067 0.000 1.625) 6.281 13.953 ( 3.703 0.000 4.009) 5.457 14.021 ( -3.392 0.000 2.496) 4.211 14.259 ( 15.592 0.000 7.618) 17.354 14.541 ( -12.150 0.000 2.781) 12.464 14.655 ( 0.418 0.000 1.893) 1.939 14.717 ( -7.949 0.000 2.644) 8.377 15.735 ( 4.483 0.000 2.701) 5.233 15.793 ( 2.173 0.000 4.791) 5.261 15.845 ( 1.666 0.000 5.587) 5.831 16.001 ( -10.100 0.000 5.153) 11.338 16.441 ( 0.873 0.000 -0.329) 0.933 16.467 ( -1.650 0.000 -1.045) 1.953 17.510 ( 27.081 0.000 2.776) 27.223 17.875 ( -12.827 0.000 -7.198) 14.709 18.343 ( 0.237 0.000 -4.940) 4.946 18.355 ( -0.935 0.000 -4.996) 5.083 18.812 ( 2.351 0.000 -3.649) 4.341 18.888 ( -5.409 0.000 -4.917) 7.310 18.997 ( 3.004 0.000 -21.274) 21.485 19.072 ( -4.839 0.000 -21.190) 21.736 19.367 ( 3.172 0.000 2.252) 3.890 19.393 ( 0.339 0.000 1.611) 1.646 23.332 ( 2.030 0.000 25.025) 25.107 23.455 ( -11.527 0.000 19.877) 22.977 24.836 ( 9.771 0.000 -17.796) 20.302 24.974 ( -5.201 0.000 -19.706) 20.380 25.930 ( 4.727 0.000 9.265) 10.401 26.027 ( -5.653 0.000 8.441) 10.159 26.542 ( 5.575 0.000 -7.294) 9.181 26.635 ( -4.544 0.000 -7.757) 8.990 ======================= Grid point 110 (40/60) ======================= q-point: ( 0.00 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 0.000 4.611 22.515) 22.982 1.749 ( 0.000 16.905 13.556) 21.669 1.958 ( 0.000 17.505 3.496) 17.850 2.054 ( 0.000 31.496 2.783) 31.618 2.094 ( 0.000 1.683 8.627) 8.790 2.242 ( 0.000 50.536 0.294) 50.536 2.257 ( 0.000 34.536 -0.678) 34.542 2.652 ( 0.000 -2.245 -5.018) 5.497 2.716 ( 0.000 -0.131 16.167) 16.167 2.722 ( 0.000 1.162 -12.006) 12.062 2.866 ( 0.000 3.562 -2.024) 4.097 2.962 ( 0.000 10.262 -3.441) 10.823 3.061 ( 0.000 -0.307 -5.652) 5.661 3.095 ( 0.000 -0.831 5.458) 5.521 3.279 ( 0.000 7.123 3.271) 7.839 3.613 ( 0.000 0.961 2.434) 2.617 3.664 ( 0.000 2.740 -2.945) 4.022 3.763 ( 0.000 2.772 -8.113) 8.574 3.783 ( 0.000 4.564 -3.994) 6.065 3.958 ( 0.000 4.486 -13.238) 13.977 4.236 ( 0.000 -2.542 6.377) 6.865 4.498 ( 0.000 -3.620 -2.045) 4.158 4.573 ( 0.000 0.804 -5.134) 5.196 4.648 ( 0.000 3.801 2.216) 4.400 4.735 ( 0.000 4.050 -1.759) 4.415 4.879 ( 0.000 5.521 -7.495) 9.309 5.041 ( 0.000 7.116 -3.290) 7.840 5.148 ( 0.000 4.807 1.853) 5.152 5.187 ( 0.000 8.547 -2.706) 8.965 5.401 ( 0.000 -6.320 9.550) 11.452 5.690 ( 0.000 2.652 7.329) 7.794 5.763 ( 0.000 -6.321 3.022) 7.006 5.827 ( 0.000 -7.507 -1.288) 7.617 5.871 ( 0.000 -0.913 2.774) 2.920 6.111 ( 0.000 -5.861 0.171) 5.864 6.121 ( 0.000 -7.250 0.668) 7.280 6.268 ( 0.000 8.626 -0.717) 8.656 6.341 ( 0.000 8.142 10.537) 13.317 6.499 ( 0.000 2.977 2.222) 3.715 6.905 ( 0.000 5.773 4.127) 7.097 7.062 ( 0.000 38.501 -0.824) 38.510 7.177 ( 0.000 10.577 -3.996) 11.307 7.234 ( 0.000 2.278 -4.392) 4.948 7.258 ( 0.000 2.889 -3.714) 4.706 7.564 ( 0.000 -0.448 0.916) 1.020 7.805 ( 0.000 -5.064 -6.945) 8.595 7.984 ( 0.000 9.516 1.991) 9.722 8.307 ( 0.000 5.414 -7.321) 9.106 8.492 ( 0.000 -22.473 2.410) 22.602 8.595 ( 0.000 -2.409 -7.216) 7.607 9.070 ( 0.000 -14.102 5.785) 15.243 9.205 ( 0.000 -6.869 -2.989) 7.491 9.224 ( 0.000 -14.782 -0.587) 14.794 9.334 ( 0.000 -4.464 -2.723) 5.229 9.524 ( 0.000 -11.324 4.590) 12.219 9.779 ( 0.000 -0.747 -2.333) 2.450 9.852 ( 0.000 4.534 3.652) 5.822 9.947 ( 0.000 14.921 2.080) 15.065 10.025 ( 0.000 12.704 4.639) 13.524 10.175 ( 0.000 -3.625 -3.400) 4.970 10.451 ( 0.000 22.497 1.608) 22.555 10.689 ( 0.000 14.931 -5.022) 15.753 10.746 ( 0.000 13.353 -3.299) 13.754 10.826 ( 0.000 11.486 -2.805) 11.823 10.939 ( 0.000 0.235 4.478) 4.485 11.290 ( 0.000 -6.547 -1.312) 6.677 11.524 ( 0.000 0.268 5.721) 5.727 11.673 ( 0.000 11.294 -5.740) 12.669 11.734 ( 0.000 0.652 -6.659) 6.691 12.047 ( 0.000 -5.105 -5.359) 7.401 12.112 ( 0.000 3.664 8.046) 8.841 12.335 ( 0.000 4.144 3.778) 5.608 12.486 ( 0.000 -5.213 1.645) 5.467 12.644 ( 0.000 -7.940 -1.399) 8.062 12.917 ( 0.000 -6.032 -3.690) 7.071 12.925 ( 0.000 -5.981 0.359) 5.992 13.380 ( 0.000 -6.663 -2.592) 7.149 13.671 ( 0.000 -8.845 -5.687) 10.516 13.932 ( 0.000 2.041 8.111) 8.364 14.006 ( 0.000 -1.036 8.661) 8.723 14.122 ( 0.000 4.298 2.002) 4.741 14.572 ( 0.000 -13.308 -3.229) 13.694 14.674 ( 0.000 -3.372 4.357) 5.510 14.768 ( 0.000 -16.067 2.690) 16.291 15.730 ( 0.000 6.566 14.176) 15.623 16.040 ( 0.000 35.398 6.645) 36.017 16.288 ( 0.000 9.999 0.462) 10.010 16.379 ( 0.000 29.285 3.171) 29.456 16.578 ( 0.000 2.725 15.134) 15.377 16.742 ( 0.000 19.172 12.198) 22.724 16.862 ( 0.000 39.414 -15.407) 42.319 18.024 ( 0.000 1.757 -17.814) 17.900 18.371 ( 0.000 2.104 -6.288) 6.630 18.418 ( 0.000 3.992 -6.668) 7.771 18.847 ( 0.000 -2.678 1.572) 3.105 18.939 ( 0.000 -1.454 -17.769) 17.828 18.992 ( 0.000 -0.592 -3.531) 3.581 19.163 ( 0.000 -2.037 -18.767) 18.877 19.251 ( 0.000 -2.583 1.900) 3.206 19.290 ( 0.000 -2.215 -1.069) 2.459 23.493 ( 0.000 11.462 31.464) 33.487 23.989 ( 0.000 11.201 5.587) 12.516 24.581 ( 0.000 8.566 -11.219) 14.116 25.075 ( 0.000 5.364 -22.357) 22.991 25.768 ( 0.000 -7.925 9.811) 12.612 26.138 ( 0.000 -4.637 7.940) 9.195 26.323 ( 0.000 -7.566 -7.166) 10.421 26.692 ( 0.000 -3.979 -8.059) 8.988 ======================= Grid point 111 (41/60) ======================= q-point: ( 0.20 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 3.040 6.147 18.923) 20.127 1.801 ( 4.270 16.758 12.651) 21.427 1.941 ( -1.451 19.420 3.910) 19.863 2.026 ( -3.551 27.759 4.030) 28.274 2.225 ( 1.345 34.048 0.965) 34.089 2.233 ( 1.595 40.300 1.522) 40.360 2.339 ( 16.339 11.707 3.928) 20.480 2.616 ( -2.395 1.582 -3.412) 4.459 2.680 ( 1.012 1.847 -6.586) 6.914 2.805 ( 1.563 5.852 -4.876) 7.776 2.942 ( 10.454 -0.009 2.650) 10.784 3.021 ( 3.853 0.866 7.669) 8.626 3.111 ( 2.560 2.259 5.646) 6.598 3.115 ( 4.828 1.292 -4.261) 6.568 3.329 ( 7.004 6.431 -1.278) 9.594 3.589 ( -3.164 -0.745 -3.271) 4.612 3.686 ( 3.194 6.452 5.515) 9.069 3.745 ( -2.095 2.309 -7.471) 8.096 3.801 ( 0.836 4.671 -4.767) 6.726 3.992 ( 4.197 2.973 -13.363) 14.318 4.144 ( -9.484 -2.770 6.238) 11.685 4.318 ( -17.204 3.998 2.472) 17.835 4.375 ( -11.717 3.948 -1.066) 12.410 4.614 ( -5.760 -0.383 -2.666) 6.359 4.801 ( 2.802 5.185 -5.679) 8.184 4.932 ( 0.632 5.130 -8.408) 9.870 5.083 ( 6.752 -0.552 5.962) 9.025 5.214 ( 5.388 2.131 -3.903) 6.986 5.321 ( 10.191 -1.684 -0.865) 10.365 5.397 ( -0.765 -5.009 9.623) 10.875 5.670 ( -1.778 1.394 6.756) 7.123 5.729 ( -2.172 -2.309 3.384) 4.637 5.832 ( 0.655 -7.136 0.394) 7.177 5.883 ( 1.087 -0.127 -0.713) 1.306 6.082 ( -3.398 -1.700 -0.017) 3.800 6.109 ( -0.095 -6.574 0.606) 6.603 6.267 ( 0.640 9.876 0.205) 9.899 6.427 ( 3.944 5.535 -0.021) 6.796 6.506 ( 5.288 1.789 9.056) 10.638 6.858 ( -4.993 2.297 3.332) 6.428 7.073 ( -6.039 -0.050 1.502) 6.223 7.125 ( -6.343 -0.372 -3.042) 7.044 7.290 ( 7.079 20.411 -6.684) 22.614 7.326 ( 13.332 31.361 -8.136) 35.035 7.579 ( 0.061 3.151 1.106) 3.340 7.833 ( 5.423 -1.500 -4.545) 7.233 8.039 ( 4.370 5.179 0.277) 6.782 8.283 ( -2.821 7.164 -7.981) 11.090 8.466 ( -3.391 -17.957 0.206) 18.275 8.572 ( -1.869 -8.777 -5.073) 10.308 8.998 ( -5.176 -11.072 3.037) 12.594 9.095 ( -10.045 -14.185 -0.617) 17.393 9.285 ( 5.644 -9.651 -1.441) 11.273 9.389 ( 3.001 -3.195 -2.004) 4.819 9.496 ( -2.772 -6.271 3.798) 7.837 9.726 ( -3.322 6.508 -1.638) 7.488 9.924 ( 2.454 8.236 1.488) 8.721 9.980 ( 5.869 0.827 2.702) 6.514 10.031 ( 0.721 14.015 4.381) 14.701 10.179 ( 0.259 -1.809 -1.921) 2.651 10.486 ( 2.406 18.929 -0.634) 19.092 10.637 ( -2.990 10.515 -4.153) 11.694 10.727 ( 0.466 12.785 -1.106) 12.841 10.854 ( -0.983 5.717 -0.279) 5.807 10.984 ( 5.489 8.037 0.437) 9.742 11.296 ( -0.045 -6.023 -1.703) 6.259 11.491 ( -2.830 -0.066 5.992) 6.627 11.640 ( -4.903 10.567 -6.301) 13.244 11.763 ( 2.266 1.183 -5.975) 6.499 11.990 ( -5.374 -4.192 -3.057) 7.470 12.106 ( 3.039 4.291 11.227) 12.397 12.374 ( 1.713 2.559 3.696) 4.811 12.484 ( 0.533 -4.596 -2.220) 5.131 12.629 ( -2.293 -8.121 -4.636) 9.628 12.943 ( 2.743 -5.676 -1.918) 6.589 12.965 ( 3.463 -6.548 -0.209) 7.410 13.414 ( 3.722 -6.530 -0.514) 7.534 13.685 ( 0.317 -7.324 -3.800) 8.257 13.914 ( -0.498 -1.890 7.782) 8.024 14.032 ( 3.572 0.271 7.710) 8.502 14.112 ( -1.310 4.309 2.324) 5.068 14.524 ( -5.358 -15.272 -1.322) 16.238 14.647 ( -2.378 -3.456 3.779) 5.646 14.728 ( -3.677 -10.069 3.169) 11.178 15.765 ( 4.066 6.815 13.595) 15.742 16.070 ( 2.618 35.347 5.358) 35.847 16.225 ( -5.802 13.437 2.310) 14.817 16.309 ( -6.570 26.230 3.450) 27.259 16.587 ( 1.316 8.480 7.632) 11.484 16.704 ( -2.546 22.472 5.019) 23.166 17.138 ( 24.193 24.016 -4.408) 34.373 18.005 ( -2.605 1.869 -15.845) 16.166 18.368 ( -0.148 2.172 -5.900) 6.289 18.415 ( -0.557 4.137 -6.507) 7.731 18.801 ( -2.568 -2.038 -0.646) 3.341 18.941 ( 0.033 -2.001 -16.917) 17.034 18.971 ( -3.036 -1.010 -6.331) 7.093 19.129 ( -3.566 -2.270 -19.155) 19.616 19.279 ( 3.638 -2.064 1.754) 4.536 19.335 ( 3.065 -2.565 0.105) 3.998 23.468 ( -2.003 12.590 28.981) 31.661 23.831 ( -13.815 13.091 11.203) 22.085 24.700 ( 10.264 7.163 -14.412) 19.088 25.068 ( -1.156 5.093 -21.259) 21.891 25.794 ( 2.840 -7.728 9.709) 12.730 26.077 ( -5.407 -5.619 7.478) 10.804 26.385 ( 5.493 -6.549 -6.554) 10.771 26.667 ( -2.743 -4.189 -8.007) 9.444 ======================= Grid point 112 (42/60) ======================= q-point: ( 0.40 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 5.941 7.816 13.922) 17.036 1.868 ( 1.446 12.467 9.013) 15.451 1.900 ( -2.591 22.089 7.482) 23.465 1.944 ( -4.041 26.772 6.317) 27.802 2.212 ( -0.361 41.159 -1.158) 41.177 2.224 ( -1.529 38.518 0.315) 38.550 2.586 ( 3.845 9.603 -6.981) 12.479 2.648 ( -3.097 11.106 -8.932) 14.585 2.735 ( 13.155 0.738 -0.234) 13.178 2.849 ( 0.118 -1.780 -3.469) 3.901 3.047 ( 6.028 0.531 3.265) 6.876 3.126 ( -1.356 4.912 3.627) 6.255 3.223 ( 12.382 4.643 5.769) 14.427 3.278 ( 17.461 -6.646 5.343) 19.432 3.459 ( -5.976 -1.042 -3.792) 7.154 3.551 ( 7.132 2.875 -3.891) 8.618 3.631 ( -13.537 0.029 -0.804) 13.561 3.734 ( -7.017 2.840 0.593) 7.593 3.784 ( 4.999 11.348 7.132) 14.305 3.916 ( -9.459 7.079 1.051) 11.861 4.072 ( -1.754 0.419 2.965) 3.470 4.133 ( -4.221 2.591 -5.291) 7.247 4.202 ( 3.400 4.456 -4.039) 6.909 4.425 ( -13.785 -0.445 -7.712) 15.802 4.858 ( 3.316 3.845 -7.718) 9.238 4.910 ( -2.220 3.748 -9.124) 10.110 5.221 ( 7.445 -3.861 7.566) 11.295 5.314 ( 1.210 -4.802 1.324) 5.126 5.361 ( 0.493 -2.978 8.203) 8.741 5.415 ( -0.742 -8.782 3.518) 9.490 5.653 ( 0.410 0.382 5.604) 5.631 5.684 ( -2.622 -0.410 4.323) 5.073 5.873 ( 3.848 -1.058 -1.575) 4.291 5.930 ( 1.921 -1.531 -3.903) 4.612 6.013 ( -1.698 -0.069 -0.051) 1.700 6.076 ( -4.134 -6.196 -0.839) 7.496 6.328 ( 5.837 8.219 1.254) 10.159 6.423 ( -3.109 5.051 -1.540) 6.128 6.684 ( 10.396 3.000 5.375) 12.081 6.786 ( -1.909 1.479 1.587) 2.890 6.932 ( -6.636 -3.499 3.462) 8.262 6.964 ( -9.288 -3.425 -0.103) 9.900 7.385 ( 5.686 13.517 -4.494) 15.337 7.485 ( -4.225 13.774 -6.444) 15.783 7.756 ( 21.876 24.551 -8.472) 33.957 7.982 ( 6.673 4.786 -5.837) 10.075 8.081 ( -1.284 0.073 -0.518) 1.387 8.147 ( -11.658 17.219 -8.079) 22.309 8.445 ( 3.354 -18.459 -0.330) 18.765 8.531 ( -3.640 -18.357 -3.048) 18.961 8.905 ( -3.752 -5.393 0.700) 6.606 8.933 ( -6.463 -10.047 -0.607) 11.962 9.362 ( 2.954 -14.997 -0.654) 15.299 9.409 ( -1.977 -16.619 -0.185) 16.737 9.504 ( 5.938 15.555 0.203) 16.651 9.636 ( -6.969 12.806 -1.720) 14.681 9.976 ( 3.158 8.499 2.460) 9.394 10.019 ( -1.246 9.735 3.833) 10.537 10.104 ( 5.350 -1.685 1.010) 5.700 10.170 ( -1.824 -2.255 -0.433) 2.932 10.533 ( 4.010 12.032 -2.115) 12.858 10.608 ( -2.598 11.703 -3.904) 12.608 10.757 ( 2.664 9.285 0.877) 9.700 10.809 ( -2.953 5.111 1.390) 6.064 11.112 ( 8.226 6.673 -3.370) 11.116 11.252 ( -5.714 -1.819 -4.382) 7.427 11.456 ( 0.125 1.999 6.361) 6.669 11.517 ( -6.369 7.895 0.911) 10.184 11.809 ( 3.259 -0.181 -3.518) 4.799 11.887 ( -5.270 -2.142 -1.889) 5.995 12.236 ( 8.712 4.044 8.856) 13.065 12.356 ( -3.845 1.812 5.213) 6.726 12.509 ( 2.146 -4.979 -6.277) 8.294 12.566 ( -3.912 -7.193 -7.743) 11.269 12.996 ( 2.430 -5.774 -0.766) 6.311 13.012 ( 0.993 -6.508 -0.800) 6.632 13.510 ( 6.491 -5.925 2.471) 9.130 13.630 ( -5.961 -5.455 2.228) 8.382 13.965 ( 5.105 -1.656 2.788) 6.048 14.054 ( -3.989 1.987 1.853) 4.826 14.168 ( 10.388 -4.854 6.883) 13.374 14.376 ( -10.771 -13.480 3.477) 17.602 14.622 ( 0.180 -3.299 2.127) 3.929 14.657 ( -3.496 -4.437 2.215) 6.067 15.884 ( 9.013 7.077 10.914) 15.825 16.067 ( -9.361 10.425 5.993) 15.239 16.132 ( 2.071 32.082 3.885) 32.383 16.197 ( -4.760 32.744 4.135) 33.346 16.619 ( 1.988 14.391 5.163) 15.418 16.658 ( -2.376 19.492 4.939) 20.248 17.588 ( 22.573 10.996 -6.598) 25.961 17.894 ( -10.840 3.913 -11.336) 16.165 18.372 ( 0.733 2.710 -5.486) 6.162 18.394 ( -1.541 3.679 -5.666) 6.929 18.801 ( 2.528 -1.312 -3.934) 4.857 18.876 ( -5.189 -1.298 -5.288) 7.521 18.974 ( 2.685 -2.310 -20.305) 20.612 19.047 ( -4.904 -2.516 -20.303) 21.037 19.347 ( 2.950 -2.269 1.552) 4.033 19.370 ( 0.476 -2.560 0.983) 2.783 23.465 ( 2.822 14.568 24.233) 28.415 23.591 ( -11.020 14.982 18.761) 26.418 24.884 ( 9.157 5.624 -17.554) 20.583 25.015 ( -5.074 4.956 -19.425) 20.679 25.867 ( 5.066 -7.222 9.290) 12.811 25.970 ( -6.081 -6.535 8.396) 12.255 26.493 ( 6.103 -5.542 -7.146) 10.910 26.595 ( -4.974 -4.752 -7.752) 10.364 ======================= Grid point 115 (43/60) ======================= q-point: ( 0.00 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 0.000 6.523 19.346) 20.416 1.991 ( 0.000 8.176 9.249) 12.345 2.072 ( 0.000 2.187 7.482) 7.795 2.312 ( 0.000 12.613 16.662) 20.897 2.509 ( 0.000 13.006 1.288) 13.069 2.549 ( 0.000 -5.107 -2.385) 5.637 2.688 ( 0.000 8.148 -0.614) 8.171 2.729 ( 0.000 0.102 -8.340) 8.341 2.816 ( 0.000 9.849 -3.394) 10.418 2.873 ( 0.000 4.665 -4.386) 6.404 3.066 ( 0.000 4.186 5.103) 6.601 3.071 ( 0.000 2.062 -9.789) 10.004 3.296 ( 0.000 26.858 -4.252) 27.192 3.456 ( 0.000 29.536 -0.342) 29.538 3.568 ( 0.000 4.607 -1.620) 4.884 3.571 ( 0.000 32.663 -3.664) 32.868 3.735 ( 0.000 4.941 0.234) 4.947 3.873 ( 0.000 10.662 -9.500) 14.280 3.983 ( 0.000 13.598 -1.097) 13.643 4.011 ( 0.000 1.816 -8.304) 8.500 4.220 ( 0.000 2.479 6.553) 7.007 4.448 ( 0.000 -1.102 -1.373) 1.760 4.656 ( 0.000 5.878 0.389) 5.891 4.734 ( 0.000 6.694 0.519) 6.714 4.771 ( 0.000 -0.763 -0.093) 0.769 5.007 ( 0.000 6.933 -0.191) 6.936 5.148 ( 0.000 -4.336 2.444) 4.978 5.149 ( 0.000 1.683 -0.430) 1.737 5.272 ( 0.000 -6.263 6.633) 9.122 5.301 ( 0.000 1.787 -4.326) 4.680 5.649 ( 0.000 -5.856 2.972) 6.567 5.720 ( 0.000 -1.544 5.321) 5.540 5.733 ( 0.000 -2.579 -2.963) 3.928 5.849 ( 0.000 -1.939 0.802) 2.098 5.893 ( 0.000 -11.664 0.442) 11.672 6.011 ( 0.000 -3.855 -0.598) 3.902 6.436 ( 0.000 9.805 2.235) 10.056 6.524 ( 0.000 11.542 13.320) 17.626 6.715 ( 0.000 17.317 -4.047) 17.784 6.961 ( 0.000 2.618 2.355) 3.522 7.027 ( 0.000 -8.829 -0.249) 8.833 7.098 ( 0.000 -2.563 0.636) 2.640 7.507 ( 0.000 -4.457 1.823) 4.815 7.649 ( 0.000 -4.314 -3.896) 5.813 7.667 ( 0.000 20.257 3.502) 20.557 7.871 ( 0.000 11.688 -2.655) 11.986 8.094 ( 0.000 -10.274 5.969) 11.882 8.173 ( 0.000 0.748 1.028) 1.272 8.263 ( 0.000 -3.057 -9.194) 9.689 8.684 ( 0.000 8.319 -8.661) 12.009 8.855 ( 0.000 -13.807 4.953) 14.668 8.929 ( 0.000 -6.389 -2.579) 6.890 8.937 ( 0.000 -13.624 -2.074) 13.781 9.261 ( 0.000 -7.597 -7.403) 10.608 9.295 ( 0.000 -12.835 5.902) 14.126 9.681 ( 0.000 -9.346 -6.081) 11.150 9.934 ( 0.000 5.868 1.416) 6.037 10.032 ( 0.000 -2.206 0.170) 2.212 10.232 ( 0.000 8.863 4.344) 9.870 10.304 ( 0.000 13.363 4.026) 13.956 10.771 ( 0.000 7.755 4.195) 8.817 10.878 ( 0.000 -5.977 0.263) 5.983 11.069 ( 0.000 14.650 -2.047) 14.792 11.106 ( 0.000 17.376 -1.887) 17.478 11.148 ( 0.000 27.560 -3.710) 27.809 11.226 ( 0.000 5.006 -4.090) 6.464 11.622 ( 0.000 11.793 0.033) 11.793 11.777 ( 0.000 3.608 -1.587) 3.941 11.903 ( 0.000 12.792 -5.524) 13.934 11.943 ( 0.000 -4.429 -4.847) 6.566 12.180 ( 0.000 2.677 8.831) 9.227 12.319 ( 0.000 -7.121 1.646) 7.309 12.439 ( 0.000 -13.201 -1.123) 13.248 12.453 ( 0.000 1.978 1.697) 2.607 12.761 ( 0.000 -10.114 -3.944) 10.855 12.776 ( 0.000 -9.194 0.118) 9.195 13.232 ( 0.000 -7.938 -5.287) 9.537 13.463 ( 0.000 -12.353 -6.640) 14.025 13.876 ( 0.000 -4.013 10.027) 10.800 14.106 ( 0.000 7.933 3.975) 8.873 14.216 ( 0.000 4.903 2.354) 5.438 14.228 ( 0.000 -17.559 3.448) 17.894 14.596 ( 0.000 -4.790 4.126) 6.322 14.600 ( 0.000 -6.456 3.485) 7.336 15.883 ( 0.000 9.505 15.887) 18.513 16.387 ( 0.000 -1.959 18.216) 18.321 16.503 ( 0.000 7.544 3.840) 8.465 16.768 ( 0.000 10.928 12.176) 16.361 16.972 ( 0.000 46.258 9.363) 47.196 17.340 ( 0.000 38.075 5.460) 38.465 17.712 ( 0.000 42.683 -24.587) 49.258 18.155 ( 0.000 12.977 -15.185) 19.975 18.418 ( 0.000 2.588 -7.907) 8.320 18.472 ( 0.000 0.176 -9.292) 9.294 18.756 ( 0.000 -7.234 0.985) 7.301 18.922 ( 0.000 0.460 -14.277) 14.284 18.966 ( 0.000 -2.478 -6.224) 6.699 19.116 ( 0.000 -2.630 -15.982) 16.197 19.178 ( 0.000 -5.081 0.453) 5.101 19.221 ( 0.000 -5.347 -2.820) 6.045 23.838 ( 0.000 25.422 26.905) 37.016 24.346 ( 0.000 27.082 2.564) 27.203 24.834 ( 0.000 18.379 -10.212) 21.025 25.262 ( 0.000 15.478 -19.836) 25.160 25.521 ( 0.000 -18.890 10.461) 21.593 25.969 ( 0.000 -14.422 7.476) 16.245 26.099 ( 0.000 -16.431 -7.432) 18.034 26.536 ( 0.000 -13.567 -8.777) 16.159 ======================= Grid point 116 (44/60) ======================= q-point: ( 0.20 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 5.212 8.487 16.344) 19.140 2.046 ( 2.699 11.684 6.184) 13.492 2.204 ( 13.572 -0.326 7.918) 15.716 2.392 ( 5.626 15.440 11.848) 20.259 2.475 ( -3.723 14.961 1.508) 15.491 2.565 ( 1.819 -2.917 -1.221) 3.648 2.647 ( -2.751 3.125 -5.194) 6.657 2.723 ( 5.339 5.045 1.201) 7.443 2.867 ( -0.012 2.688 -4.710) 5.423 2.926 ( 7.981 -1.422 -3.065) 8.667 3.101 ( 3.985 8.948 2.156) 10.030 3.150 ( 5.394 5.950 -6.564) 10.372 3.302 ( 1.536 25.141 -5.228) 25.724 3.446 ( -0.536 23.917 2.392) 24.042 3.580 ( 1.923 12.089 -3.032) 12.610 3.611 ( 2.804 28.651 -5.198) 29.254 3.755 ( 2.310 4.428 0.783) 5.056 3.857 ( -2.579 11.936 -7.167) 14.160 3.980 ( -1.717 9.772 3.150) 10.410 4.024 ( 1.854 2.045 -12.871) 13.164 4.148 ( -5.068 4.790 6.007) 9.204 4.399 ( -12.009 4.153 3.003) 13.056 4.453 ( -7.718 4.115 -3.044) 9.261 4.636 ( -9.426 3.390 2.240) 10.264 4.895 ( 4.537 3.577 -1.800) 6.052 5.046 ( 4.059 2.842 2.558) 5.576 5.063 ( -5.003 -0.270 3.077) 5.880 5.202 ( 1.670 -4.042 -1.570) 4.647 5.276 ( 1.095 -4.591 0.394) 4.736 5.315 ( 0.427 -1.572 1.163) 2.002 5.652 ( -0.034 -4.128 6.025) 7.304 5.715 ( -0.940 -0.811 0.574) 1.368 5.731 ( 2.184 -2.825 -0.663) 3.631 5.844 ( -0.956 -2.950 -0.229) 3.109 5.890 ( -0.109 -13.365 -0.501) 13.375 6.015 ( -0.725 -3.787 -1.520) 4.145 6.450 ( 1.920 9.455 1.809) 9.816 6.610 ( 7.629 11.270 9.611) 16.660 6.669 ( -2.931 14.981 -0.975) 15.296 6.909 ( -4.839 2.392 1.620) 5.636 6.946 ( -6.218 -5.827 1.192) 8.605 7.099 ( -2.698 1.215 -0.995) 3.122 7.561 ( 4.961 -3.516 2.106) 6.435 7.624 ( -0.723 9.884 -0.371) 9.918 7.784 ( 10.078 -0.187 0.398) 10.087 7.888 ( 2.199 7.476 -2.425) 8.161 8.082 ( -0.808 -15.772 2.910) 16.058 8.165 ( -0.350 5.165 1.967) 5.538 8.289 ( 0.586 -4.747 -8.017) 9.335 8.584 ( -9.557 2.510 -5.657) 11.386 8.823 ( -1.231 -10.258 1.935) 10.511 8.904 ( -0.902 1.486 -3.190) 3.633 9.018 ( 5.162 -11.634 -2.818) 13.036 9.170 ( -4.706 -13.100 -1.859) 14.043 9.451 ( 10.978 -6.175 0.557) 12.608 9.720 ( 3.184 -7.919 -4.259) 9.538 9.961 ( 2.674 5.279 1.640) 6.141 10.031 ( 0.109 -0.123 0.909) 0.924 10.250 ( 1.390 8.302 3.828) 9.247 10.301 ( -0.241 12.753 4.279) 13.454 10.803 ( 2.206 4.120 1.837) 5.021 10.852 ( -2.109 4.461 1.005) 5.036 10.936 ( -6.976 10.658 -2.667) 13.014 11.087 ( -2.308 24.725 -4.919) 25.315 11.224 ( -0.274 6.109 -2.540) 6.622 11.255 ( 4.629 12.911 -2.246) 13.899 11.572 ( -3.161 9.912 1.385) 10.496 11.784 ( -0.365 5.293 -0.975) 5.395 11.871 ( -3.852 7.048 -7.756) 11.166 11.930 ( -2.290 1.709 -3.604) 4.599 12.192 ( 4.039 3.816 11.054) 12.372 12.301 ( -1.934 -8.416 -0.678) 8.662 12.421 ( -1.977 -12.132 -3.565) 12.799 12.487 ( 2.696 1.578 0.148) 3.127 12.790 ( 2.888 -10.669 -0.526) 11.066 12.804 ( 2.549 -9.654 -2.067) 10.196 13.276 ( 4.769 -6.924 -2.204) 8.691 13.512 ( 4.490 -10.442 -5.402) 12.585 13.821 ( -4.762 -5.156 10.144) 12.335 14.091 ( -2.295 -1.044 3.441) 4.266 14.183 ( -2.453 -0.602 3.247) 4.114 14.246 ( 1.430 -2.862 3.204) 4.528 14.565 ( -2.014 -5.060 3.542) 6.496 14.600 ( -1.065 -5.767 3.151) 6.657 15.924 ( 4.619 9.945 15.217) 18.756 16.405 ( -4.262 7.866 3.874) 9.749 16.480 ( 3.184 -0.495 17.984) 18.271 16.748 ( -2.255 10.129 12.336) 16.120 16.989 ( 2.300 45.704 8.678) 46.577 17.295 ( -4.718 37.511 5.934) 38.269 17.797 ( 8.438 37.021 -21.879) 43.823 18.144 ( -1.457 13.211 -14.400) 19.596 18.414 ( 0.008 2.183 -7.340) 7.658 18.484 ( 0.283 2.258 -9.642) 9.907 18.730 ( -0.922 -5.882 -0.906) 6.023 18.907 ( -1.582 -0.904 -13.828) 13.947 18.941 ( -2.764 -1.941 -8.573) 9.215 19.077 ( -3.913 -2.780 -16.093) 16.794 19.207 ( 3.410 -5.970 -0.456) 6.890 19.261 ( 2.731 -5.363 -1.998) 6.341 23.840 ( 0.678 27.067 25.307) 37.061 24.227 ( -10.819 28.911 8.068) 31.905 24.924 ( 8.002 16.977 -13.353) 23.034 25.249 ( -1.685 15.057 -19.289) 24.528 25.552 ( 3.315 -18.623 10.242) 21.511 25.884 ( -6.773 -15.748 6.628) 18.380 26.184 ( 6.780 -15.257 -6.358) 17.866 26.508 ( -3.083 -13.647 -8.705) 16.478 ======================= Grid point 117 (45/60) ======================= q-point: ( 0.40 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 7.533 10.788 11.290) 17.338 2.059 ( -2.517 11.077 6.666) 13.171 2.354 ( -2.325 17.395 2.349) 17.706 2.373 ( -0.246 15.080 4.026) 15.611 2.456 ( 4.284 1.145 -0.785) 4.504 2.564 ( -4.910 2.629 -0.291) 5.577 2.759 ( 9.072 1.381 -0.240) 9.179 2.814 ( 1.338 2.119 0.875) 2.654 2.953 ( 11.493 2.479 -2.062) 11.937 3.100 ( 3.988 -1.195 -4.329) 6.006 3.173 ( 3.627 12.184 -4.930) 13.635 3.226 ( 11.248 13.573 5.798) 18.557 3.307 ( -3.393 9.893 -3.974) 11.188 3.466 ( -0.428 18.274 2.856) 18.500 3.595 ( -0.614 22.645 -2.663) 22.810 3.661 ( -8.551 8.163 1.978) 11.986 3.709 ( -0.423 22.234 -2.350) 22.362 3.783 ( -1.487 4.811 -2.899) 5.811 3.961 ( 3.079 7.950 0.533) 8.542 4.056 ( -2.778 6.064 -5.932) 8.926 4.137 ( 3.189 8.348 3.825) 9.720 4.196 ( -2.698 4.047 -8.450) 9.750 4.333 ( -5.361 9.039 5.337) 11.786 4.429 ( -12.016 2.282 -1.286) 12.298 4.943 ( 1.974 2.781 -0.464) 3.442 4.986 ( -3.130 1.033 1.178) 3.500 5.128 ( 4.519 -3.584 3.680) 6.842 5.198 ( -2.498 -6.719 0.839) 7.217 5.297 ( 0.918 -4.781 0.015) 4.868 5.310 ( -0.611 -2.083 1.601) 2.698 5.664 ( 1.684 0.496 5.591) 5.860 5.698 ( -1.401 1.453 2.955) 3.578 5.802 ( 4.041 -6.451 -4.755) 8.976 5.828 ( -0.311 -8.437 -3.834) 9.272 5.891 ( 0.995 -10.135 0.194) 10.185 5.961 ( -4.950 -4.507 -1.086) 6.782 6.510 ( 4.511 9.358 0.505) 10.401 6.592 ( -3.901 10.502 -1.171) 11.264 6.795 ( 7.056 5.054 5.706) 10.387 6.838 ( -1.668 -0.758 1.232) 2.208 6.846 ( -1.170 5.844 2.362) 6.411 6.993 ( -8.407 7.324 2.202) 11.365 7.624 ( 0.610 6.884 0.458) 6.926 7.626 ( 1.230 2.202 0.454) 2.563 7.945 ( 6.487 -0.709 -1.423) 6.679 8.002 ( 7.710 -15.090 -0.409) 16.951 8.060 ( -0.199 -9.353 0.499) 9.368 8.167 ( -2.071 -2.022 2.022) 3.530 8.256 ( -0.121 -4.252 -5.398) 6.873 8.387 ( -10.999 0.476 -3.560) 11.570 8.844 ( 3.274 -0.627 -1.489) 3.651 8.895 ( -1.330 2.981 -3.328) 4.662 9.078 ( 1.592 -9.964 -3.190) 10.583 9.106 ( -2.251 -10.964 -2.335) 11.434 9.643 ( 9.016 -3.001 0.418) 9.512 9.743 ( -1.720 -4.937 -1.159) 5.355 10.015 ( 2.687 4.834 2.049) 5.898 10.038 ( 0.203 3.405 1.882) 3.895 10.271 ( 1.105 8.924 3.074) 9.503 10.293 ( -0.955 11.000 3.548) 11.598 10.771 ( -0.450 6.605 0.314) 6.628 10.829 ( -5.499 4.298 -1.493) 7.138 10.924 ( 6.507 11.770 -3.883) 13.999 11.028 ( -4.436 17.754 -6.487) 19.415 11.224 ( 0.881 5.205 0.676) 5.322 11.263 ( -2.603 6.190 -0.064) 6.715 11.583 ( 4.566 11.626 0.965) 12.527 11.703 ( -7.650 11.287 -1.430) 13.710 11.842 ( 1.157 3.772 -3.844) 5.508 11.878 ( -2.598 2.669 -2.575) 4.528 12.265 ( 0.885 -6.667 1.292) 6.848 12.277 ( -0.412 -8.098 -1.016) 8.172 12.423 ( 4.049 -2.829 -2.007) 5.332 12.497 ( -2.181 1.841 0.394) 2.881 12.841 ( 1.972 -11.236 -0.825) 11.438 12.845 ( 1.465 -10.065 -1.736) 10.318 13.396 ( 8.030 -4.700 2.467) 9.626 13.531 ( -4.922 -3.940 1.794) 6.555 13.812 ( 6.261 -11.803 4.210) 14.008 13.975 ( -9.391 -11.705 2.142) 15.158 14.197 ( 3.068 5.222 4.314) 7.436 14.248 ( -1.623 2.190 4.005) 4.844 14.542 ( -0.082 -5.009 2.493) 5.596 14.566 ( -2.226 -5.316 2.348) 6.223 16.051 ( 9.274 10.554 12.594) 18.868 16.243 ( -11.009 10.443 7.500) 16.926 16.589 ( 6.259 3.207 15.304) 16.843 16.686 ( -4.450 8.575 12.795) 16.033 17.064 ( 5.817 41.078 8.318) 42.314 17.185 ( -6.939 37.527 7.430) 38.879 17.967 ( 8.916 24.933 -17.128) 31.536 18.091 ( -4.693 15.935 -14.128) 21.807 18.429 ( 1.721 3.162 -7.516) 8.334 18.466 ( -1.920 3.848 -8.179) 9.241 18.761 ( 3.912 -2.894 -4.796) 6.832 18.845 ( -4.812 -1.577 -6.775) 8.459 18.923 ( 1.556 -2.728 -17.877) 18.151 18.990 ( -5.119 -2.964 -17.857) 18.811 19.269 ( 2.675 -6.480 -0.827) 7.059 19.291 ( 0.343 -6.037 -1.333) 6.191 23.886 ( 4.953 29.975 21.509) 37.225 24.025 ( -10.172 30.849 15.884) 36.159 25.074 ( 7.790 15.211 -16.472) 23.736 25.191 ( -4.897 14.612 -18.126) 23.792 25.637 ( 5.859 -17.898 9.533) 21.108 25.756 ( -7.078 -16.921 8.238) 20.107 26.312 ( 6.981 -14.452 -7.502) 17.717 26.428 ( -5.612 -13.929 -8.362) 17.188 ======================= Grid point 120 (46/60) ======================= q-point: ( 0.00 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 0.000 5.808 15.793) 16.827 1.989 ( 0.000 -3.602 12.560) 13.066 2.236 ( 0.000 10.460 3.061) 10.899 2.415 ( 0.000 -8.490 0.573) 8.509 2.476 ( 0.000 6.846 14.912) 16.409 2.582 ( 0.000 -3.352 6.690) 7.483 2.734 ( 0.000 1.206 -5.664) 5.790 2.748 ( 0.000 0.407 -3.563) 3.586 2.924 ( 0.000 1.661 -4.504) 4.801 2.932 ( 0.000 1.516 -6.323) 6.503 3.136 ( 0.000 3.656 -1.494) 3.950 3.148 ( 0.000 3.622 -10.956) 11.539 3.456 ( 0.000 0.203 -12.458) 12.459 3.458 ( 0.000 -2.070 -5.456) 5.835 3.827 ( 0.000 4.558 0.080) 4.559 3.888 ( 0.000 0.028 1.305) 1.305 4.078 ( 0.000 8.022 -11.983) 14.421 4.103 ( 0.000 4.147 -14.756) 15.328 4.299 ( 0.000 21.227 -4.515) 21.702 4.310 ( 0.000 26.498 -4.656) 26.904 4.411 ( 0.000 16.000 15.782) 22.473 4.499 ( 0.000 7.691 5.742) 9.598 4.669 ( 0.000 -3.767 10.303) 10.970 4.687 ( 0.000 -8.060 5.418) 9.712 4.937 ( 0.000 7.677 -3.180) 8.310 4.991 ( 0.000 -9.138 11.675) 14.826 5.049 ( 0.000 -1.477 0.483) 1.554 5.113 ( 0.000 -2.372 -0.018) 2.372 5.258 ( 0.000 -2.489 -4.357) 5.018 5.278 ( 0.000 5.605 -3.623) 6.674 5.496 ( 0.000 -14.565 -4.065) 15.122 5.519 ( 0.000 -8.604 1.139) 8.679 5.725 ( 0.000 1.925 0.733) 2.060 5.786 ( 0.000 -4.111 -0.238) 4.118 5.887 ( 0.000 5.251 3.363) 6.236 5.968 ( 0.000 -2.494 1.017) 2.693 6.628 ( 0.000 9.842 5.235) 11.148 6.731 ( 0.000 4.638 10.695) 11.657 6.890 ( 0.000 0.936 1.055) 1.410 6.987 ( 0.000 -2.136 2.047) 2.958 7.037 ( 0.000 9.271 -4.491) 10.301 7.077 ( 0.000 0.526 1.284) 1.388 7.455 ( 0.000 0.716 0.660) 0.973 7.535 ( 0.000 -6.465 -2.692) 7.003 7.860 ( 0.000 -1.080 1.475) 1.828 7.869 ( 0.000 1.790 5.304) 5.598 7.935 ( 0.000 -1.078 1.867) 2.156 8.102 ( 0.000 -14.943 -2.844) 15.211 8.280 ( 0.000 8.835 3.550) 9.522 8.521 ( 0.000 -16.337 4.193) 16.867 8.809 ( 0.000 0.767 3.391) 3.477 8.814 ( 0.000 4.249 -3.176) 5.305 9.049 ( 0.000 -4.129 2.625) 4.893 9.087 ( 0.000 -9.108 -8.768) 12.643 9.155 ( 0.000 13.494 -8.419) 15.905 9.453 ( 0.000 -14.543 -7.762) 16.485 10.030 ( 0.000 1.637 1.793) 2.428 10.037 ( 0.000 2.711 1.139) 2.941 10.380 ( 0.000 8.365 -0.440) 8.376 10.483 ( 0.000 2.523 1.114) 2.757 10.752 ( 0.000 -3.701 2.537) 4.487 10.793 ( 0.000 -3.574 7.101) 7.950 11.189 ( 0.000 3.488 -0.765) 3.571 11.232 ( 0.000 1.931 -1.247) 2.299 11.561 ( 0.000 17.185 -5.003) 17.899 11.628 ( 0.000 17.194 -4.686) 17.821 11.858 ( 0.000 5.886 -1.289) 6.026 11.871 ( 0.000 8.500 -1.439) 8.621 11.905 ( 0.000 0.059 -0.061) 0.084 12.062 ( 0.000 -4.794 -5.250) 7.110 12.209 ( 0.000 5.746 8.902) 10.595 12.211 ( 0.000 -2.189 0.524) 2.251 12.229 ( 0.000 -4.921 -1.459) 5.133 12.391 ( 0.000 -9.249 0.668) 9.273 12.591 ( 0.000 -5.179 -4.105) 6.609 12.625 ( 0.000 -6.364 -1.383) 6.513 13.146 ( 0.000 0.280 -6.961) 6.966 13.247 ( 0.000 -9.599 -7.125) 11.954 13.844 ( 0.000 1.537 8.954) 9.085 13.955 ( 0.000 -10.485 7.434) 12.853 14.252 ( 0.000 6.885 2.767) 7.420 14.304 ( 0.000 2.553 2.180) 3.358 14.492 ( 0.000 -4.050 4.019) 5.705 14.505 ( 0.000 -4.290 4.277) 6.058 16.072 ( 0.000 10.377 18.493) 21.205 16.259 ( 0.000 -9.205 21.163) 23.078 16.667 ( 0.000 9.037 3.268) 9.610 16.807 ( 0.000 -4.595 8.442) 9.611 17.797 ( 0.000 37.205 7.362) 37.927 17.995 ( 0.000 29.069 3.398) 29.267 18.201 ( 0.000 3.226 -7.404) 8.076 18.360 ( 0.000 -8.230 -5.355) 9.819 18.416 ( 0.000 0.177 -7.106) 7.108 18.444 ( 0.000 -0.718 -10.887) 10.911 18.667 ( 0.000 8.590 -10.337) 13.441 18.887 ( 0.000 -7.061 -10.548) 12.693 18.967 ( 0.000 3.654 -9.675) 10.342 19.054 ( 0.000 -5.280 -7.817) 9.433 19.091 ( 0.000 -2.808 -5.503) 6.178 19.106 ( 0.000 -4.578 -9.595) 10.631 24.414 ( 0.000 34.363 19.710) 39.614 24.952 ( 0.000 35.115 2.778) 35.225 25.034 ( 0.000 -27.978 13.186) 30.930 25.265 ( 0.000 21.839 -8.950) 23.601 25.545 ( 0.000 -20.114 3.766) 20.464 25.690 ( 0.000 18.418 -13.731) 22.974 25.718 ( 0.000 -23.554 -8.334) 24.984 26.173 ( 0.000 -24.669 -11.210) 27.096 ======================= Grid point 121 (47/60) ======================= q-point: ( 0.20 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 8.896 8.559 12.242) 17.385 2.134 ( 12.658 -5.838 9.000) 16.593 2.258 ( 2.459 10.774 3.396) 11.561 2.441 ( 1.928 -8.408 0.334) 8.633 2.588 ( 11.344 5.584 13.841) 18.747 2.641 ( 6.303 1.083 6.822) 9.351 2.699 ( -3.683 4.378 -4.542) 7.305 2.756 ( 1.437 -0.063 -2.959) 3.290 2.870 ( -3.229 -0.523 -4.251) 5.364 2.885 ( -2.435 -2.308 -3.366) 4.753 3.215 ( 6.864 4.568 -3.256) 8.865 3.255 ( 8.196 2.650 -9.514) 12.834 3.442 ( -1.024 1.124 -9.309) 9.432 3.489 ( 3.211 -2.011 -6.288) 7.341 3.821 ( -1.188 3.722 0.616) 3.955 3.858 ( -4.119 1.581 0.316) 4.423 4.050 ( -1.526 6.118 -12.391) 13.904 4.095 ( -1.102 1.703 -14.163) 14.308 4.277 ( -4.194 16.303 0.440) 16.839 4.319 ( -1.534 18.866 1.444) 18.983 4.397 ( 1.509 23.814 1.528) 23.911 4.495 ( -8.041 5.282 2.088) 9.845 4.538 ( 1.193 11.831 9.960) 15.511 4.706 ( -4.509 -1.646 7.730) 9.099 4.872 ( -3.834 -3.054 5.691) 7.511 4.967 ( -3.577 -8.555 7.018) 11.629 5.043 ( -1.305 -5.799 2.690) 6.524 5.068 ( -3.712 -8.568 -0.720) 9.366 5.262 ( 3.151 6.540 -5.469) 9.089 5.359 ( 4.036 6.218 -4.473) 8.658 5.523 ( 3.273 -12.420 -3.338) 13.271 5.551 ( 2.411 -9.503 -0.627) 9.824 5.705 ( -0.758 0.240 1.999) 2.151 5.746 ( -3.305 -3.981 1.715) 5.451 5.864 ( -2.564 4.637 2.353) 5.798 5.953 ( -2.367 -3.823 0.118) 4.498 6.623 ( 0.485 8.640 3.706) 9.414 6.745 ( 0.250 -2.239 6.504) 6.883 6.870 ( -3.901 3.893 -2.008) 5.866 6.900 ( -4.600 2.081 0.962) 5.140 7.044 ( 2.731 13.575 1.124) 13.892 7.186 ( 6.820 3.899 0.703) 7.887 7.498 ( 4.040 -2.785 0.815) 4.974 7.543 ( 1.084 -9.990 -1.552) 10.168 7.801 ( -3.490 3.147 3.535) 5.881 7.881 ( -3.433 -1.895 2.069) 4.434 7.908 ( 0.263 -3.244 2.823) 4.308 8.067 ( -3.845 -16.996 -1.327) 17.476 8.296 ( 1.600 9.798 2.850) 10.328 8.516 ( -0.951 -9.998 2.132) 10.267 8.652 ( -7.244 -0.180 0.094) 7.247 8.821 ( -6.555 -12.912 1.754) 14.587 9.071 ( 8.083 9.386 -5.384) 13.507 9.189 ( 3.217 15.131 -7.681) 17.271 9.279 ( 12.374 -10.222 -1.728) 16.143 9.495 ( 3.516 -14.691 -5.972) 16.243 10.061 ( 3.719 3.540 1.785) 5.435 10.081 ( 4.850 3.230 1.282) 5.967 10.374 ( -0.851 6.486 0.762) 6.586 10.462 ( -2.263 1.480 1.560) 3.121 10.765 ( 1.793 -0.606 3.330) 3.831 10.837 ( 4.287 -4.735 5.874) 8.678 11.106 ( -7.281 7.711 -0.267) 10.608 11.229 ( -2.759 -3.632 -1.117) 4.696 11.526 ( -2.987 19.269 -5.501) 20.260 11.607 ( -2.467 15.031 -5.239) 16.107 11.796 ( -4.135 10.966 -0.437) 11.728 11.882 ( -1.004 -2.539 -3.193) 4.201 11.901 ( 1.578 3.373 -0.749) 3.798 12.000 ( -4.870 -4.402 -3.966) 7.669 12.177 ( -3.076 -2.537 -0.628) 4.036 12.209 ( -4.151 -1.103 -3.093) 5.293 12.296 ( 8.256 4.556 6.179) 11.274 12.448 ( 5.878 -6.889 -0.549) 9.072 12.596 ( 0.076 -6.690 -0.745) 6.732 12.631 ( 1.108 -7.888 -2.733) 8.422 13.215 ( 7.210 1.565 -3.470) 8.153 13.323 ( 7.738 -8.920 -5.072) 12.852 13.780 ( -6.733 1.708 8.849) 11.250 13.897 ( -6.203 -10.395 6.512) 13.745 14.269 ( 1.664 6.117 2.862) 6.955 14.313 ( 1.170 2.955 2.172) 3.849 14.473 ( -1.790 -3.612 3.984) 5.667 14.497 ( -1.199 -4.855 3.681) 6.210 16.124 ( 5.587 11.056 17.773) 21.664 16.324 ( 6.771 -9.873 20.211) 23.490 16.609 ( -6.271 9.871 5.553) 12.946 16.767 ( -4.367 -5.745 10.001) 12.333 17.792 ( -0.221 35.570 5.912) 36.058 17.945 ( -4.744 28.819 3.045) 29.365 18.198 ( -0.609 -1.997 -4.646) 5.093 18.297 ( -4.596 -6.054 -3.525) 8.378 18.431 ( 3.091 3.018 -12.407) 13.138 18.545 ( 7.651 -4.291 -7.889) 11.798 18.683 ( 1.499 15.348 -10.503) 18.658 18.895 ( -1.606 -1.519 -11.225) 11.440 18.922 ( -3.473 -0.036 -10.927) 11.466 19.030 ( -0.454 -11.615 -4.367) 12.417 19.063 ( -1.280 0.980 -12.273) 12.378 19.148 ( 1.481 -5.996 -7.153) 9.450 24.441 ( 3.077 35.201 19.047) 40.141 24.854 ( -8.858 35.386 6.855) 37.116 25.069 ( 3.705 -28.641 13.117) 31.719 25.343 ( 6.853 22.841 -11.593) 26.516 25.455 ( -7.637 -24.956 6.117) 26.805 25.658 ( -2.616 22.301 -15.132) 27.077 25.812 ( 7.168 -23.523 -8.644) 26.066 26.145 ( -3.017 -24.489 -11.235) 27.112 ======================= Grid point 122 (48/60) ======================= q-point: ( 0.40 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 8.408 10.782 7.015) 15.367 2.262 ( -1.021 9.303 3.668) 10.052 2.344 ( 6.530 -6.242 3.467) 9.676 2.436 ( -3.099 -6.633 0.084) 7.322 2.630 ( -0.586 9.917 -0.049) 9.935 2.669 ( -3.083 8.106 0.869) 8.716 2.753 ( 3.337 -3.034 -0.548) 4.543 2.802 ( -2.169 -4.452 -1.232) 5.103 2.975 ( 17.293 1.762 4.226) 17.889 3.017 ( 17.757 -3.099 3.072) 18.286 3.250 ( -6.275 2.114 -1.601) 6.812 3.306 ( -7.225 -3.227 -5.315) 9.532 3.474 ( 8.421 9.977 -4.549) 13.825 3.606 ( 8.985 -3.804 -3.653) 10.419 3.690 ( -13.354 6.095 0.778) 14.700 3.757 ( -6.804 -1.370 -1.958) 7.211 4.048 ( 2.629 7.061 -9.686) 12.271 4.106 ( 1.373 2.317 -9.966) 10.323 4.172 ( -5.066 4.607 -4.486) 8.186 4.216 ( -5.971 1.802 -2.718) 6.803 4.434 ( 2.888 27.558 -2.097) 27.788 4.467 ( 0.203 28.107 -3.022) 28.270 4.538 ( -0.463 15.501 12.141) 19.695 4.587 ( -6.151 11.324 10.177) 16.421 4.839 ( 0.681 -10.344 7.429) 12.753 4.890 ( -4.224 -7.997 6.597) 11.194 5.014 ( -1.119 -15.158 1.798) 15.305 5.018 ( -1.442 -13.736 1.872) 13.938 5.329 ( 3.483 10.151 -4.348) 11.579 5.378 ( -1.605 10.157 -4.271) 11.135 5.580 ( 2.216 -13.926 -5.288) 15.061 5.597 ( 1.468 -10.809 -2.935) 11.296 5.706 ( 1.479 1.179 2.738) 3.328 5.746 ( 2.715 -0.694 3.302) 4.332 5.801 ( -2.626 0.329 1.938) 3.280 5.874 ( -5.888 -4.992 0.231) 7.723 6.661 ( 3.785 6.887 0.602) 7.882 6.746 ( -2.616 3.221 -0.109) 4.151 6.770 ( -1.726 -0.986 -0.078) 1.989 6.823 ( -4.433 -1.558 -0.081) 4.700 7.149 ( 7.156 20.501 3.411) 21.981 7.242 ( -1.635 16.964 1.189) 17.084 7.566 ( 2.994 -14.678 0.262) 14.982 7.580 ( 1.847 -14.123 -0.471) 14.251 7.765 ( 0.136 2.211 3.269) 3.949 7.806 ( -3.815 -0.983 2.091) 4.460 7.922 ( 1.476 -9.167 2.654) 9.657 7.980 ( -4.804 -15.673 1.244) 16.440 8.343 ( 3.898 11.327 1.169) 12.036 8.440 ( -6.341 8.699 -0.365) 10.771 8.619 ( 2.750 -15.812 1.555) 16.125 8.701 ( -5.879 -16.105 0.730) 17.160 9.203 ( 5.081 13.727 -5.223) 15.541 9.237 ( 1.098 15.421 -6.048) 16.601 9.466 ( 7.198 -13.000 -1.509) 14.936 9.532 ( -0.350 -14.579 -2.993) 14.887 10.161 ( 6.406 8.285 2.197) 10.701 10.193 ( 5.261 8.211 1.654) 9.891 10.348 ( -1.160 0.010 2.147) 2.441 10.399 ( -4.699 -1.412 2.022) 5.307 10.821 ( 4.715 4.523 3.296) 7.318 10.937 ( 1.340 0.218 2.579) 2.915 10.957 ( -2.708 2.013 2.559) 4.235 11.109 ( -9.473 -6.740 0.553) 11.639 11.502 ( 1.213 19.909 -6.083) 20.853 11.552 ( -3.355 18.442 -6.108) 19.715 11.763 ( 0.980 -0.049 -3.658) 3.787 11.823 ( -4.707 -4.891 -5.249) 8.581 11.946 ( 2.860 6.184 -1.612) 7.002 11.967 ( 0.565 6.279 -2.057) 6.632 12.109 ( -3.413 -5.586 -2.876) 7.150 12.115 ( -4.336 -4.145 -3.314) 6.853 12.448 ( 7.036 3.867 2.755) 8.489 12.520 ( -0.214 1.310 0.186) 1.340 12.614 ( 2.562 -11.493 -0.398) 11.782 12.646 ( -0.248 -10.085 -1.927) 10.270 13.384 ( 10.760 3.946 2.100) 11.652 13.490 ( 7.564 -3.316 -0.352) 8.266 13.631 ( -6.813 -3.186 6.777) 10.124 13.741 ( -10.481 -11.232 4.158) 15.915 14.309 ( 2.525 6.088 3.190) 7.322 14.335 ( 0.382 5.130 2.881) 5.896 14.441 ( -0.836 -5.251 3.068) 6.139 14.462 ( -2.342 -5.553 2.858) 6.670 16.266 ( 9.665 11.967 15.252) 21.662 16.451 ( -8.735 10.365 10.716) 17.279 16.483 ( 8.180 -9.130 17.640) 21.481 16.650 ( -8.355 -8.422 13.852) 18.238 17.802 ( 1.585 32.426 3.771) 32.683 17.856 ( -4.351 29.720 2.852) 30.172 18.191 ( 0.369 -7.028 -3.237) 7.747 18.222 ( -3.158 -7.821 -2.844) 8.901 18.531 ( 7.198 9.680 -11.855) 16.913 18.657 ( -5.385 14.960 -8.995) 18.268 18.688 ( 7.750 -4.718 -7.819) 11.977 18.823 ( -6.847 -2.575 -8.170) 10.966 18.899 ( 3.858 2.714 -15.634) 16.330 18.992 ( -4.874 4.916 -14.221) 15.817 19.091 ( 3.788 -12.419 -6.801) 14.657 19.145 ( -1.798 -9.123 -7.202) 11.762 24.530 ( 6.771 36.528 16.906) 40.816 24.680 ( -9.492 36.583 12.799) 39.903 25.165 ( 6.751 -28.753 12.192) 31.953 25.305 ( -8.332 -27.504 9.811) 30.367 25.475 ( 7.088 23.136 -14.390) 28.153 25.588 ( -5.165 23.427 -15.348) 28.479 25.946 ( 7.266 -24.004 -10.261) 27.098 26.065 ( -5.683 -24.177 -11.082) 27.196 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 0.000 0.000 0.918) 0.918 1.670 ( 0.000 0.000 0.335) 0.335 1.697 ( 0.000 0.000 3.995) 3.995 1.729 ( 0.000 0.000 1.030) 1.030 2.004 ( 0.000 0.000 8.454) 8.454 2.058 ( 0.000 0.000 13.255) 13.255 2.297 ( 0.000 0.000 11.267) 11.267 2.435 ( 0.000 0.000 -7.256) 7.256 2.524 ( 0.000 0.000 -10.774) 10.774 2.628 ( 0.000 0.000 -16.992) 16.992 2.861 ( 0.000 0.000 3.240) 3.240 2.910 ( 0.000 0.000 -1.111) 1.111 3.238 ( 0.000 0.000 9.034) 9.034 3.294 ( 0.000 0.000 11.058) 11.058 3.351 ( 0.000 0.000 3.949) 3.949 3.453 ( 0.000 0.000 -10.891) 10.891 3.599 ( 0.000 0.000 0.077) 0.077 3.642 ( 0.000 0.000 -5.203) 5.203 3.664 ( 0.000 0.000 0.655) 0.655 3.729 ( 0.000 0.000 -3.473) 3.473 4.408 ( 0.000 0.000 3.889) 3.889 4.496 ( 0.000 0.000 4.220) 4.220 4.579 ( 0.000 0.000 -9.615) 9.615 4.586 ( 0.000 0.000 2.634) 2.634 4.611 ( 0.000 0.000 -7.567) 7.567 4.623 ( 0.000 0.000 -0.506) 0.506 4.924 ( 0.000 0.000 0.496) 0.496 4.979 ( 0.000 0.000 -4.770) 4.770 5.282 ( 0.000 0.000 14.116) 14.116 5.507 ( 0.000 0.000 -6.219) 6.219 5.805 ( 0.000 0.000 5.827) 5.827 5.882 ( 0.000 0.000 -1.636) 1.636 5.894 ( 0.000 0.000 0.770) 0.770 5.905 ( 0.000 0.000 -0.881) 0.881 6.116 ( 0.000 0.000 1.879) 1.879 6.134 ( 0.000 0.000 -0.091) 0.091 6.317 ( 0.000 0.000 4.034) 4.034 6.380 ( 0.000 0.000 -1.442) 1.442 6.531 ( 0.000 0.000 5.010) 5.010 6.675 ( 0.000 0.000 -9.948) 9.948 6.723 ( 0.000 0.000 13.641) 13.641 6.911 ( 0.000 0.000 -3.807) 3.807 7.382 ( 0.000 0.000 4.448) 4.448 7.416 ( 0.000 0.000 4.387) 4.387 7.467 ( 0.000 0.000 -3.650) 3.650 7.615 ( 0.000 0.000 -14.635) 14.635 7.900 ( 0.000 0.000 1.615) 1.615 7.963 ( 0.000 0.000 -5.811) 5.811 8.708 ( 0.000 0.000 3.197) 3.197 8.779 ( 0.000 0.000 -3.960) 3.960 9.162 ( 0.000 0.000 6.301) 6.301 9.268 ( 0.000 0.000 -4.369) 4.369 9.432 ( 0.000 0.000 5.838) 5.838 9.519 ( 0.000 0.000 -2.919) 2.919 9.671 ( 0.000 0.000 1.277) 1.277 9.704 ( 0.000 0.000 -1.503) 1.503 9.793 ( 0.000 0.000 1.926) 1.926 9.808 ( 0.000 0.000 -0.015) 0.015 9.936 ( 0.000 0.000 6.151) 6.151 10.080 ( 0.000 0.000 -7.881) 7.881 10.334 ( 0.000 0.000 6.404) 6.404 10.459 ( 0.000 0.000 -5.959) 5.959 10.598 ( 0.000 0.000 0.775) 0.775 10.639 ( 0.000 0.000 -2.941) 2.941 11.074 ( 0.000 0.000 8.100) 8.100 11.261 ( 0.000 0.000 -10.962) 10.962 11.493 ( 0.000 0.000 4.415) 4.415 11.591 ( 0.000 0.000 -5.773) 5.773 11.731 ( 0.000 0.000 10.059) 10.059 11.931 ( 0.000 0.000 -9.833) 9.833 12.219 ( 0.000 0.000 6.171) 6.171 12.303 ( 0.000 0.000 -1.965) 1.965 12.616 ( 0.000 0.000 3.873) 3.873 12.681 ( 0.000 0.000 -2.590) 2.590 12.944 ( 0.000 0.000 0.498) 0.498 12.974 ( 0.000 0.000 -1.608) 1.608 13.487 ( 0.000 0.000 5.360) 5.360 13.628 ( 0.000 0.000 -7.698) 7.698 14.003 ( 0.000 0.000 5.209) 5.209 14.076 ( 0.000 0.000 -1.888) 1.888 14.308 ( 0.000 0.000 13.689) 13.689 14.560 ( 0.000 0.000 -10.091) 10.091 14.799 ( 0.000 0.000 4.387) 4.387 14.906 ( 0.000 0.000 -7.354) 7.354 15.753 ( 0.000 0.000 4.246) 4.246 15.824 ( 0.000 0.000 -1.328) 1.328 15.952 ( 0.000 0.000 9.588) 9.588 16.129 ( 0.000 0.000 -5.773) 5.773 16.437 ( 0.000 0.000 -0.787) 0.787 16.453 ( 0.000 0.000 -1.782) 1.782 17.250 ( 0.000 0.000 28.900) 28.900 17.727 ( 0.000 0.000 -17.547) 17.547 18.276 ( 0.000 0.000 -1.395) 1.395 18.292 ( 0.000 0.000 -2.771) 2.771 18.688 ( 0.000 0.000 -4.082) 4.082 18.821 ( 0.000 0.000 -14.999) 14.999 18.907 ( 0.000 0.000 2.034) 2.034 18.949 ( 0.000 0.000 -2.174) 2.174 19.298 ( 0.000 0.000 0.475) 0.475 19.303 ( 0.000 0.000 -0.167) 0.167 24.001 ( 0.000 0.000 28.838) 28.838 24.060 ( 0.000 0.000 9.791) 9.791 24.273 ( 0.000 0.000 -11.485) 11.485 24.544 ( 0.000 0.000 -25.853) 25.853 26.036 ( 0.000 0.000 10.043) 10.043 26.229 ( 0.000 0.000 -9.124) 9.124 26.353 ( 0.000 0.000 9.660) 9.660 26.547 ( 0.000 0.000 -9.584) 9.584 ======================= Grid point 141 (50/60) ======================= q-point: ( 0.20 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 0.149 0.000 0.812) 0.825 1.668 ( -0.188 0.000 0.500) 0.534 1.697 ( 0.039 0.000 3.543) 3.543 1.723 ( -0.610 0.000 1.207) 1.352 1.993 ( -0.220 0.000 10.434) 10.436 2.078 ( 0.901 0.000 10.744) 10.782 2.376 ( -5.407 0.000 -7.859) 9.539 2.460 ( 15.703 0.000 7.602) 17.447 2.511 ( -9.083 0.000 -11.836) 14.920 2.622 ( 9.211 0.000 -8.279) 12.385 2.994 ( 8.245 0.000 1.084) 8.316 3.022 ( 13.048 0.000 -2.659) 13.316 3.258 ( 2.664 0.000 9.902) 10.254 3.326 ( 2.387 0.000 8.651) 8.974 3.369 ( 3.587 0.000 3.394) 4.938 3.462 ( 0.606 0.000 -8.795) 8.815 3.610 ( 1.852 0.000 1.559) 2.421 3.646 ( -2.263 0.000 0.353) 2.291 3.695 ( 6.174 0.000 -8.469) 10.480 3.716 ( -1.709 0.000 -4.192) 4.527 4.278 ( -7.888 0.000 6.314) 10.104 4.396 ( -6.734 0.000 2.687) 7.251 4.403 ( -17.149 0.000 7.357) 18.660 4.536 ( -11.433 0.000 -5.657) 12.756 4.616 ( 1.612 0.000 -7.406) 7.580 4.638 ( 0.453 0.000 -7.399) 7.413 5.159 ( 17.595 0.000 0.676) 17.608 5.216 ( 24.071 0.000 -4.805) 24.546 5.335 ( 5.169 0.000 12.032) 13.095 5.515 ( 0.650 0.000 -3.964) 4.017 5.783 ( -2.040 0.000 5.410) 5.782 5.829 ( -3.618 0.000 3.538) 5.061 5.851 ( -2.993 0.000 -0.984) 3.151 5.908 ( -1.951 0.000 -4.050) 4.496 6.112 ( -1.936 0.000 2.505) 3.166 6.142 ( -0.394 0.000 -1.004) 1.078 6.240 ( -2.946 0.000 7.303) 7.874 6.369 ( -1.962 0.000 -5.205) 5.563 6.579 ( 4.631 0.000 4.014) 6.128 6.700 ( 2.065 0.000 -8.409) 8.659 6.848 ( 10.373 0.000 5.875) 11.921 6.903 ( -0.411 0.000 0.275) 0.494 7.333 ( -7.657 0.000 6.061) 9.766 7.347 ( -3.185 0.000 4.069) 5.167 7.427 ( -4.038 0.000 -3.613) 5.419 7.579 ( -2.367 0.000 -17.105) 17.268 7.962 ( 4.995 0.000 1.682) 5.271 8.016 ( 4.644 0.000 -3.708) 5.943 8.674 ( -2.801 0.000 2.660) 3.863 8.737 ( -3.231 0.000 -3.665) 4.886 9.204 ( 4.269 0.000 5.312) 6.815 9.279 ( -14.481 0.000 4.165) 15.068 9.295 ( 2.656 0.000 -3.923) 4.738 9.346 ( -16.216 0.000 -2.554) 16.416 9.653 ( -1.950 0.000 1.110) 2.244 9.684 ( -2.341 0.000 -1.581) 2.824 9.787 ( 4.152 0.000 3.741) 5.589 9.847 ( 2.230 0.000 -1.174) 2.520 10.048 ( 7.231 0.000 3.519) 8.042 10.131 ( 3.167 0.000 -4.241) 5.293 10.393 ( 5.421 0.000 3.887) 6.671 10.473 ( 1.561 0.000 -3.936) 4.235 10.617 ( 2.844 0.000 2.658) 3.893 10.690 ( 4.897 0.000 -4.362) 6.558 11.036 ( -3.674 0.000 7.519) 8.369 11.219 ( -4.964 0.000 -11.088) 12.148 11.507 ( 1.364 0.000 4.092) 4.313 11.580 ( -1.099 0.000 -2.258) 2.511 11.746 ( 1.591 0.000 6.866) 7.048 11.912 ( -2.168 0.000 -8.225) 8.506 12.249 ( 3.763 0.000 7.504) 8.395 12.349 ( 3.543 0.000 -2.349) 4.251 12.553 ( -5.027 0.000 2.445) 5.590 12.620 ( -5.780 0.000 -4.012) 7.036 12.990 ( 4.008 0.000 0.961) 4.122 13.018 ( 3.570 0.000 -1.258) 3.785 13.534 ( 4.521 0.000 4.961) 6.713 13.656 ( 2.437 0.000 -6.490) 6.932 14.006 ( 0.355 0.000 4.563) 4.577 14.069 ( -0.846 0.000 -1.558) 1.773 14.322 ( 2.251 0.000 13.113) 13.305 14.554 ( -0.531 0.000 -8.884) 8.900 14.762 ( -3.732 0.000 3.925) 5.416 14.851 ( -5.853 0.000 -5.301) 7.897 15.759 ( 0.764 0.000 3.792) 3.868 15.822 ( -0.349 0.000 -1.889) 1.921 15.961 ( 1.163 0.000 9.565) 9.635 16.113 ( -1.858 0.000 -4.472) 4.842 16.434 ( -0.086 0.000 -0.027) 0.090 16.453 ( -0.040 0.000 -1.706) 1.707 17.397 ( 14.635 0.000 23.331) 27.541 17.781 ( 4.933 0.000 -13.140) 14.035 18.274 ( -0.182 0.000 -1.515) 1.526 18.288 ( -0.476 0.000 -2.711) 2.753 18.666 ( -2.102 0.000 -5.865) 6.230 18.783 ( -4.085 0.000 -15.004) 15.550 18.835 ( -5.352 0.000 2.165) 5.774 18.898 ( -5.260 0.000 -3.892) 6.544 19.337 ( 4.086 0.000 1.702) 4.426 19.360 ( 3.982 0.000 -0.581) 4.024 23.853 ( -10.668 0.000 17.820) 20.769 23.931 ( -11.081 0.000 8.004) 13.670 24.415 ( 10.243 0.000 -4.785) 11.305 24.602 ( 4.116 0.000 -19.665) 20.091 26.059 ( 2.424 0.000 9.889) 10.182 26.225 ( -0.853 0.000 -3.759) 3.854 26.358 ( 1.034 0.000 4.302) 4.424 26.525 ( -2.291 0.000 -9.391) 9.667 ======================= Grid point 142 (51/60) ======================= q-point: ( 0.40 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 0.183 0.000 0.677) 0.701 1.665 ( -0.144 0.000 0.646) 0.662 1.700 ( 0.366 0.000 2.691) 2.715 1.710 ( -0.700 0.000 1.790) 1.922 2.013 ( 2.483 0.000 11.237) 11.508 2.066 ( -2.386 0.000 11.677) 11.919 2.304 ( -0.859 0.000 -10.901) 10.935 2.361 ( -6.562 0.000 -10.963) 12.777 2.729 ( 10.024 0.000 0.040) 10.024 2.771 ( 4.727 0.000 -4.263) 6.365 3.141 ( 6.352 0.000 4.525) 7.799 3.190 ( 2.345 0.000 1.002) 2.550 3.356 ( 7.720 0.000 7.642) 10.863 3.408 ( 8.608 0.000 2.684) 9.017 3.454 ( -2.276 0.000 -2.586) 3.445 3.494 ( 8.024 0.000 -3.536) 8.769 3.572 ( -5.576 0.000 0.428) 5.593 3.649 ( -6.065 0.000 -5.488) 8.180 3.700 ( 9.994 0.000 6.050) 11.682 3.885 ( 13.187 0.000 -11.295) 17.363 4.032 ( -19.736 0.000 9.475) 21.893 4.207 ( 0.423 0.000 10.415) 10.424 4.240 ( -19.537 0.000 -10.392) 22.129 4.276 ( -6.140 0.000 7.350) 9.578 4.632 ( 0.478 0.000 -9.570) 9.582 4.639 ( -0.204 0.000 -8.414) 8.416 5.439 ( 5.500 0.000 7.886) 9.614 5.480 ( 14.408 0.000 4.966) 15.240 5.510 ( -1.911 0.000 2.116) 2.851 5.563 ( 8.384 0.000 -2.452) 8.735 5.765 ( 1.427 0.000 4.350) 4.578 5.801 ( 0.915 0.000 0.797) 1.214 5.802 ( -1.794 0.000 0.992) 2.050 5.850 ( -3.737 0.000 -3.462) 5.094 6.031 ( -2.983 0.000 3.390) 4.516 6.086 ( -5.485 0.000 -2.001) 5.839 6.282 ( 4.632 0.000 1.341) 4.822 6.339 ( -1.447 0.000 -4.001) 4.254 6.668 ( 4.448 0.000 1.123) 4.588 6.718 ( -0.725 0.000 -3.947) 4.013 6.879 ( 1.002 0.000 2.471) 2.667 6.954 ( -4.132 0.000 -5.062) 6.534 7.307 ( -0.272 0.000 1.363) 1.390 7.316 ( 9.788 0.000 4.762) 10.885 7.346 ( -4.115 0.000 -2.305) 4.716 7.507 ( -7.365 0.000 -13.921) 15.749 8.045 ( 3.541 0.000 1.620) 3.894 8.073 ( 0.782 0.000 -1.111) 1.358 8.660 ( 2.426 0.000 1.220) 2.716 8.707 ( -0.607 0.000 -3.498) 3.551 9.024 ( -9.680 0.000 2.255) 9.939 9.061 ( -12.237 0.000 -1.636) 12.346 9.294 ( 4.820 0.000 2.499) 5.429 9.337 ( 0.750 0.000 -1.705) 1.863 9.613 ( -1.576 0.000 0.157) 1.584 9.628 ( -2.985 0.000 -1.248) 3.235 9.869 ( 3.439 0.000 2.994) 4.559 9.889 ( 1.231 0.000 1.703) 2.101 10.134 ( 2.793 0.000 -0.666) 2.871 10.161 ( -0.031 0.000 -2.805) 2.805 10.481 ( 3.398 0.000 1.836) 3.862 10.502 ( 0.884 0.000 -0.302) 0.934 10.705 ( 6.119 0.000 3.703) 7.152 10.771 ( 1.382 0.000 -1.787) 2.259 10.985 ( 0.640 0.000 1.507) 1.637 11.090 ( -8.330 0.000 -8.062) 11.592 11.534 ( 1.408 0.000 3.754) 4.009 11.558 ( -1.268 0.000 2.347) 2.667 11.790 ( 3.242 0.000 1.358) 3.515 11.856 ( -3.732 0.000 -3.916) 5.410 12.337 ( 4.821 0.000 5.232) 7.115 12.387 ( -0.139 0.000 0.409) 0.432 12.489 ( -1.229 0.000 -1.218) 1.730 12.519 ( -4.277 0.000 -4.007) 5.861 13.054 ( 2.464 0.000 0.610) 2.539 13.066 ( 1.214 0.000 -0.480) 1.305 13.623 ( 4.659 0.000 2.851) 5.462 13.678 ( -0.858 0.000 -2.283) 2.439 14.019 ( 1.183 0.000 2.495) 2.761 14.046 ( -1.564 0.000 -0.084) 1.567 14.414 ( 7.677 0.000 7.550) 10.768 14.533 ( -3.120 0.000 -3.699) 4.839 14.690 ( -2.700 0.000 1.873) 3.286 14.725 ( -6.197 0.000 -1.282) 6.328 15.781 ( 1.528 0.000 1.887) 2.428 15.807 ( -1.227 0.000 -0.706) 1.415 15.999 ( 2.987 0.000 6.399) 7.062 16.062 ( -3.559 0.000 0.237) 3.567 16.438 ( 0.514 0.000 0.174) 0.543 16.448 ( -0.495 0.000 -0.805) 0.945 17.687 ( 14.462 0.000 12.065) 18.834 17.836 ( -1.233 0.000 -1.177) 1.705 18.272 ( 0.030 0.000 -1.866) 1.866 18.277 ( -0.555 0.000 -2.376) 2.440 18.638 ( 0.078 0.000 -10.983) 10.983 18.691 ( -5.157 0.000 -14.551) 15.437 18.771 ( -1.019 0.000 -0.246) 1.048 18.803 ( -4.185 0.000 -3.268) 5.310 19.402 ( 2.412 0.000 1.219) 2.703 19.412 ( 1.334 0.000 0.231) 1.354 23.715 ( -3.290 0.000 12.364) 12.794 23.751 ( -6.988 0.000 8.737) 11.188 24.571 ( 6.409 0.000 -6.977) 9.474 24.637 ( -0.766 0.000 -12.643) 12.666 26.118 ( 3.820 0.000 8.948) 9.729 26.186 ( -3.325 0.000 5.407) 6.348 26.400 ( 3.443 0.000 -4.848) 5.946 26.469 ( -3.744 0.000 -8.395) 9.192 ======================= Grid point 145 (52/60) ======================= q-point: ( 0.00 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 0.000 15.055 11.740) 19.091 2.039 ( 0.000 15.331 8.881) 17.718 2.052 ( 0.000 24.280 3.885) 24.589 2.128 ( 0.000 17.573 5.244) 18.339 2.223 ( 0.000 45.555 -3.023) 45.655 2.240 ( 0.000 35.376 0.136) 35.376 2.298 ( 0.000 1.969 9.943) 10.136 2.455 ( 0.000 2.777 -5.988) 6.600 2.526 ( 0.000 1.532 -8.677) 8.811 2.658 ( 0.000 4.457 -15.779) 16.396 2.882 ( 0.000 3.270 1.494) 3.595 2.893 ( 0.000 -0.480 0.622) 0.785 3.154 ( 0.000 -6.191 7.168) 9.472 3.227 ( 0.000 -1.095 5.379) 5.490 3.299 ( 0.000 -2.616 0.680) 2.702 3.488 ( 0.000 -0.953 -12.228) 12.265 3.654 ( 0.000 1.432 -1.750) 2.262 3.689 ( 0.000 2.331 -5.265) 5.758 3.716 ( 0.000 7.656 7.356) 10.617 3.851 ( 0.000 11.577 -2.732) 11.895 4.394 ( 0.000 -0.644 9.719) 9.740 4.475 ( 0.000 1.666 -0.661) 1.792 4.476 ( 0.000 -4.089 -0.801) 4.167 4.633 ( 0.000 5.198 -10.546) 11.757 4.716 ( 0.000 6.722 2.504) 7.173 4.758 ( 0.000 8.426 -2.631) 8.827 5.017 ( 0.000 8.591 0.848) 8.633 5.071 ( 0.000 8.160 -4.332) 9.239 5.323 ( 0.000 1.320 10.252) 10.337 5.484 ( 0.000 -2.874 -3.091) 4.221 5.780 ( 0.000 -7.974 -0.759) 8.010 5.784 ( 0.000 -7.045 -0.229) 7.048 5.813 ( 0.000 -0.389 4.725) 4.741 5.884 ( 0.000 -1.327 -1.759) 2.204 6.115 ( 0.000 -8.047 0.216) 8.050 6.120 ( 0.000 -8.169 -0.370) 8.177 6.308 ( 0.000 8.947 3.691) 9.679 6.378 ( 0.000 8.876 -2.817) 9.312 6.718 ( 0.000 1.927 14.628) 14.754 6.929 ( 0.000 2.334 -4.467) 5.040 7.055 ( 0.000 43.664 1.434) 43.687 7.107 ( 0.000 32.188 -3.095) 32.337 7.189 ( 0.000 -11.670 -1.103) 11.722 7.195 ( 0.000 -8.772 -2.060) 9.011 7.588 ( 0.000 1.076 1.785) 2.084 7.663 ( 0.000 -1.518 -6.191) 6.374 8.032 ( 0.000 12.601 3.331) 13.033 8.136 ( 0.000 14.817 -7.526) 16.619 8.523 ( 0.000 -19.815 0.750) 19.830 8.533 ( 0.000 -15.003 -0.780) 15.023 9.174 ( 0.000 -9.067 3.751) 9.812 9.177 ( 0.000 -8.856 0.172) 8.858 9.209 ( 0.000 -17.462 -0.227) 17.463 9.270 ( 0.000 -11.196 -3.773) 11.815 9.624 ( 0.000 -7.343 5.151) 8.970 9.717 ( 0.000 -4.004 -3.983) 5.648 9.932 ( 0.000 4.308 3.993) 5.874 9.980 ( 0.000 10.548 0.070) 10.548 10.088 ( 0.000 14.086 1.548) 14.171 10.112 ( 0.000 6.792 -2.167) 7.129 10.503 ( 0.000 19.635 3.548) 19.953 10.588 ( 0.000 16.242 -4.860) 16.954 10.719 ( 0.000 11.895 0.703) 11.916 10.763 ( 0.000 11.651 -3.163) 12.073 11.046 ( 0.000 -3.041 6.265) 6.964 11.186 ( 0.000 -5.682 -7.429) 9.353 11.588 ( 0.000 7.289 1.293) 7.403 11.635 ( 0.000 4.828 -3.491) 5.958 11.711 ( 0.000 -0.513 8.036) 8.052 11.889 ( 0.000 -3.998 -9.205) 10.036 12.266 ( 0.000 4.413 6.596) 7.937 12.354 ( 0.000 4.706 -1.912) 5.079 12.547 ( 0.000 -6.903 3.428) 7.707 12.606 ( 0.000 -7.731 -2.464) 8.114 12.886 ( 0.000 -6.081 0.508) 6.102 12.917 ( 0.000 -5.981 -1.628) 6.199 13.395 ( 0.000 -9.036 4.561) 10.122 13.531 ( 0.000 -9.568 -7.883) 12.398 14.060 ( 0.000 5.296 4.976) 7.267 14.127 ( 0.000 4.755 -1.608) 5.020 14.212 ( 0.000 -8.157 11.335) 13.965 14.432 ( 0.000 -12.098 -10.089) 15.753 14.744 ( 0.000 -4.485 2.646) 5.207 14.779 ( 0.000 -7.881 -0.828) 7.924 16.005 ( 0.000 7.766 12.785) 14.959 16.174 ( 0.000 34.096 4.153) 34.348 16.227 ( 0.000 14.474 -3.673) 14.933 16.346 ( 0.000 43.691 -6.571) 44.183 16.660 ( 0.000 21.720 1.053) 21.746 16.688 ( 0.000 22.376 -2.927) 22.567 17.232 ( 0.000 0.148 27.500) 27.501 17.701 ( 0.000 -0.984 -18.369) 18.395 18.291 ( 0.000 1.444 -1.451) 2.047 18.314 ( 0.000 1.856 -3.592) 4.043 18.691 ( 0.000 0.468 -3.678) 3.708 18.816 ( 0.000 -0.477 -14.196) 14.204 18.885 ( 0.000 -2.516 2.050) 3.245 18.932 ( 0.000 -1.973 -2.661) 3.312 19.273 ( 0.000 -2.834 0.456) 2.870 19.278 ( 0.000 -2.764 -0.251) 2.775 24.077 ( 0.000 8.286 26.775) 28.028 24.145 ( 0.000 10.080 10.533) 14.579 24.352 ( 0.000 8.830 -11.517) 14.513 24.605 ( 0.000 7.122 -24.947) 25.944 25.967 ( 0.000 -7.712 10.084) 12.695 26.160 ( 0.000 -7.620 -9.126) 11.889 26.317 ( 0.000 -4.471 9.774) 10.748 26.513 ( 0.000 -4.266 -9.696) 10.593 ======================= Grid point 146 (53/60) ======================= q-point: ( 0.20 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 0.032 15.395 8.448) 17.561 2.011 ( -2.509 17.846 4.794) 18.648 2.059 ( 0.948 21.392 8.342) 22.981 2.120 ( -2.029 19.923 5.641) 20.806 2.203 ( -1.684 40.456 -1.758) 40.530 2.277 ( 3.306 35.363 -0.936) 35.529 2.386 ( -0.197 2.654 -2.222) 3.467 2.475 ( 8.699 3.527 1.830) 9.564 2.552 ( 0.212 6.362 -6.991) 9.455 2.653 ( 5.360 5.143 -9.413) 11.991 2.981 ( 8.619 -1.015 1.598) 8.824 3.020 ( 11.051 0.474 -2.714) 11.390 3.192 ( 4.189 -6.551 6.037) 9.844 3.252 ( 3.037 -0.837 4.734) 5.687 3.325 ( 3.903 -1.254 2.658) 4.886 3.504 ( 1.176 0.231 -8.163) 8.251 3.653 ( -0.909 1.051 -1.641) 2.150 3.690 ( 0.629 3.333 -5.946) 6.845 3.725 ( 2.003 5.334 3.355) 6.612 3.846 ( -0.620 10.618 -4.599) 11.588 4.292 ( -7.927 0.371 8.292) 11.477 4.337 ( -11.647 0.131 2.479) 11.908 4.452 ( -5.669 1.292 3.777) 6.933 4.567 ( -9.861 6.245 -3.606) 12.217 4.686 ( 0.374 6.366 -3.518) 7.283 4.755 ( -2.951 9.410 -7.405) 12.333 5.143 ( 11.376 -1.319 0.533) 11.464 5.165 ( 9.263 0.315 -1.709) 9.425 5.399 ( 7.552 0.402 8.086) 11.072 5.512 ( 2.562 -1.689 -0.097) 3.070 5.755 ( -1.488 -4.818 0.307) 5.052 5.784 ( -1.623 -7.143 -1.090) 7.405 5.790 ( -1.219 -1.199 2.977) 3.433 5.861 ( -2.135 -1.025 -2.081) 3.153 6.084 ( -3.394 -6.592 0.598) 7.438 6.101 ( -1.925 -7.400 -1.002) 7.712 6.314 ( 1.286 9.412 3.532) 10.135 6.382 ( 0.494 7.930 -3.073) 8.519 6.742 ( 2.761 5.056 11.878) 13.202 6.887 ( -4.164 3.862 -1.736) 5.939 7.092 ( -4.798 -5.879 0.263) 7.593 7.099 ( -2.746 9.152 0.433) 9.565 7.166 ( 5.405 25.823 -3.392) 26.599 7.203 ( 2.693 17.435 -5.779) 18.564 7.621 ( 3.154 6.216 3.097) 7.628 7.715 ( 5.992 3.532 -6.337) 9.409 8.057 ( 2.118 9.283 1.833) 9.696 8.127 ( -1.263 12.718 -5.743) 14.012 8.482 ( -3.329 -17.327 1.428) 17.701 8.516 ( -1.933 -16.636 -1.905) 16.856 9.050 ( -7.303 -11.891 2.006) 14.098 9.080 ( -8.862 -13.154 -1.107) 15.899 9.292 ( 5.112 -11.716 1.822) 12.911 9.341 ( 3.818 -9.078 -2.718) 10.216 9.585 ( -3.659 0.022 4.872) 6.093 9.673 ( -3.779 4.542 -3.694) 6.968 9.968 ( 2.846 6.660 2.708) 7.732 10.009 ( 3.973 2.931 -0.534) 4.966 10.102 ( 1.145 12.692 2.811) 13.050 10.145 ( 1.892 4.859 -1.567) 5.445 10.494 ( -0.144 13.934 1.709) 14.039 10.553 ( -1.847 11.482 -3.956) 12.284 10.743 ( 2.542 11.099 2.478) 11.653 10.808 ( 2.582 9.980 -3.530) 10.896 11.046 ( 0.303 1.513 5.366) 5.584 11.181 ( -1.098 -2.810 -7.726) 8.294 11.572 ( -1.207 4.365 1.949) 4.930 11.608 ( -2.372 4.866 -0.732) 5.462 11.733 ( 1.893 -0.334 4.776) 5.148 11.876 ( -1.621 -3.276 -7.570) 8.406 12.296 ( 3.706 4.522 7.587) 9.578 12.395 ( 3.219 4.206 -2.026) 5.671 12.482 ( -5.124 -7.049 1.907) 8.921 12.543 ( -5.803 -7.845 -3.871) 10.498 12.932 ( 3.901 -6.073 0.757) 7.257 12.956 ( 3.287 -6.366 -1.134) 7.254 13.451 ( 5.618 -8.005 4.499) 10.765 13.572 ( 3.862 -8.251 -6.718) 11.319 14.046 ( -1.590 3.036 5.058) 6.110 14.110 ( -1.663 3.280 -1.184) 3.863 14.226 ( 1.932 -6.866 9.917) 12.215 14.418 ( -1.337 -12.244 -8.503) 14.966 14.712 ( -3.213 -4.231 2.619) 5.924 14.747 ( -3.393 -6.518 -0.745) 7.386 16.020 ( 1.800 8.024 11.438) 14.087 16.178 ( 0.144 27.687 0.908) 27.702 16.208 ( -1.807 20.180 0.296) 20.263 16.308 ( -3.433 40.523 -3.856) 40.850 16.663 ( 0.710 21.537 1.999) 21.641 16.701 ( 0.595 25.392 -2.478) 25.520 17.374 ( 14.013 -0.633 20.936) 25.201 17.746 ( 4.041 -1.930 -14.168) 14.859 18.290 ( -0.005 1.548 -1.559) 2.197 18.312 ( -0.203 2.029 -3.604) 4.141 18.667 ( -2.377 0.178 -5.295) 5.807 18.776 ( -4.246 -0.682 -14.083) 14.725 18.817 ( -5.118 -2.053 1.929) 5.842 18.880 ( -5.145 -1.969 -4.091) 6.862 19.311 ( 3.927 -2.885 1.431) 5.078 19.332 ( 3.818 -3.129 -0.577) 4.970 23.957 ( -8.694 11.460 18.075) 23.100 24.039 ( -9.339 12.266 8.458) 17.584 24.470 ( 8.942 6.352 -5.894) 12.452 24.650 ( 3.197 5.773 -19.678) 20.755 25.991 ( 2.565 -7.580 9.873) 12.709 26.158 ( -0.645 -7.474 -4.521) 8.758 26.321 ( 0.865 -4.584 5.163) 6.958 26.491 ( -2.430 -4.386 -9.424) 10.675 ======================= Grid point 147 (54/60) ======================= q-point: ( 0.40 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 0.315 18.549 3.861) 18.950 1.999 ( 1.369 22.429 3.221) 22.701 2.036 ( -1.700 13.637 7.166) 15.499 2.075 ( -3.320 18.050 4.608) 18.922 2.204 ( 2.579 31.508 3.126) 31.768 2.275 ( -4.195 30.927 6.280) 31.836 2.384 ( 3.336 16.119 -11.390) 20.017 2.458 ( -4.441 17.494 -10.215) 20.739 2.735 ( 9.322 1.133 0.433) 9.401 2.775 ( 4.241 0.607 -3.448) 5.500 3.120 ( 5.547 -1.502 3.331) 6.643 3.160 ( 2.101 -2.213 -0.446) 3.084 3.297 ( 6.843 -4.315 2.715) 8.533 3.344 ( 5.410 -2.112 -1.354) 5.963 3.485 ( 6.666 0.015 5.771) 8.817 3.512 ( 5.377 4.369 0.220) 6.932 3.601 ( -3.238 2.807 1.770) 4.637 3.693 ( -1.908 4.464 -4.046) 6.320 3.812 ( 2.498 6.720 -2.902) 7.735 3.877 ( 8.548 -0.668 -9.524) 12.814 4.030 ( -15.418 0.057 6.674) 16.800 4.171 ( -11.084 -1.800 -2.666) 11.541 4.325 ( -4.654 8.224 6.985) 11.751 4.369 ( -7.955 8.853 6.555) 13.588 4.697 ( 0.606 6.811 -7.384) 10.064 4.711 ( -1.301 7.841 -8.593) 11.705 5.306 ( 5.294 -8.735 1.219) 10.287 5.316 ( 4.856 -8.830 -0.228) 10.080 5.529 ( 4.552 -4.323 8.319) 10.422 5.556 ( 1.462 -2.987 7.229) 7.957 5.735 ( -0.586 -2.358 0.486) 2.478 5.744 ( -1.713 -2.998 1.402) 3.727 5.796 ( 2.086 -2.618 -3.887) 5.130 5.832 ( -0.886 -2.115 -4.739) 5.264 6.019 ( -2.239 -3.420 0.752) 4.156 6.045 ( -3.797 -5.302 -1.768) 6.757 6.363 ( 3.406 8.345 1.943) 9.221 6.395 ( 0.273 7.496 -1.350) 7.621 6.786 ( 0.782 5.743 3.446) 6.743 6.809 ( -3.075 3.493 0.487) 4.679 6.994 ( -2.189 -8.789 4.999) 10.345 7.028 ( -4.058 -2.592 4.511) 6.598 7.242 ( 3.471 21.127 -7.977) 22.848 7.277 ( 1.021 24.821 -10.361) 26.916 7.734 ( 9.499 20.231 3.034) 22.555 7.830 ( 3.035 17.866 -6.737) 19.334 8.072 ( -1.732 0.845 -0.259) 1.944 8.077 ( -2.608 5.742 -1.003) 6.386 8.450 ( 0.613 -17.521 0.903) 17.555 8.480 ( -1.869 -17.862 -2.077) 18.079 8.927 ( -4.829 -7.837 0.886) 9.248 8.934 ( -5.647 -9.127 0.113) 10.733 9.366 ( 3.110 -14.492 0.935) 14.851 9.391 ( 1.111 -14.754 -1.394) 14.861 9.536 ( -0.190 13.960 2.669) 14.214 9.592 ( -4.890 13.487 -2.667) 14.592 10.034 ( 4.010 5.902 3.246) 7.839 10.087 ( 1.956 -4.464 0.076) 4.874 10.099 ( 0.172 14.689 1.339) 14.750 10.149 ( -1.639 3.681 -1.802) 4.414 10.521 ( 2.814 7.336 0.686) 7.887 10.550 ( 0.195 7.535 -2.140) 7.836 10.786 ( 1.935 6.060 1.889) 6.636 10.818 ( -1.330 3.971 -0.775) 4.259 11.072 ( 2.733 8.292 0.331) 8.737 11.135 ( -3.657 4.563 -5.546) 8.059 11.559 ( -0.065 2.198 3.096) 3.798 11.571 ( -1.383 3.122 2.533) 4.251 11.773 ( 2.665 -1.166 0.545) 2.960 11.829 ( -3.231 -2.330 -3.765) 5.481 12.380 ( 4.027 3.076 5.131) 7.211 12.407 ( -1.550 -5.672 0.424) 5.895 12.436 ( -0.574 -0.302 -1.800) 1.913 12.450 ( -2.871 -3.903 -3.434) 5.938 12.993 ( 2.250 -6.385 0.354) 6.780 13.002 ( 1.229 -6.649 -0.474) 6.778 13.564 ( 5.844 -5.654 3.106) 8.705 13.623 ( 0.243 -5.312 -2.281) 5.786 14.025 ( 0.318 -1.207 2.858) 3.118 14.064 ( -3.171 0.535 -0.849) 3.326 14.294 ( 5.319 -7.791 5.656) 10.999 14.381 ( -3.317 -11.281 -2.606) 12.044 14.656 ( -1.771 -3.220 1.432) 3.944 14.675 ( -3.515 -3.947 -0.276) 5.293 16.071 ( 3.656 8.214 7.138) 11.480 16.142 ( -3.750 8.049 0.352) 8.887 16.205 ( 1.431 38.138 3.515) 38.326 16.246 ( -3.028 38.116 0.154) 38.237 16.683 ( 1.247 23.961 1.622) 24.048 16.700 ( -0.582 25.844 -0.174) 25.851 17.647 ( 13.372 -2.583 9.266) 16.472 17.787 ( -1.572 -3.402 -3.147) 4.893 18.295 ( 0.556 2.052 -1.877) 2.836 18.306 ( -0.476 2.443 -2.862) 3.793 18.632 ( -0.257 -0.547 -10.141) 10.159 18.682 ( -5.151 -0.877 -13.696) 14.659 18.756 ( -0.918 -1.684 -0.397) 1.959 18.788 ( -4.064 -1.646 -3.424) 5.563 19.374 ( 2.262 -3.216 0.976) 4.051 19.383 ( 1.324 -3.327 0.121) 3.583 23.847 ( -2.378 14.459 12.921) 19.536 23.885 ( -6.211 14.700 9.282) 18.461 24.610 ( 5.942 4.691 -7.870) 10.920 24.674 ( -1.028 4.546 -13.207) 14.005 26.053 ( 3.972 -7.297 8.707) 12.035 26.122 ( -3.257 -7.183 4.593) 9.127 26.361 ( 3.417 -4.809 -3.970) 7.111 26.431 ( -3.913 -4.661 -8.147) 10.170 ======================= Grid point 150 (55/60) ======================= q-point: ( 0.00 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 0.000 3.813 13.751) 14.270 2.151 ( 0.000 7.831 7.529) 10.864 2.270 ( 0.000 -0.293 11.073) 11.077 2.453 ( 0.000 -1.087 -7.593) 7.670 2.533 ( 0.000 3.841 -5.732) 6.900 2.571 ( 0.000 16.470 2.984) 16.738 2.588 ( 0.000 20.415 2.244) 20.538 2.628 ( 0.000 8.658 -5.320) 10.162 2.757 ( 0.000 -0.419 0.653) 0.776 2.800 ( 0.000 4.065 -3.031) 5.070 2.916 ( 0.000 -2.467 1.066) 2.688 3.107 ( 0.000 5.511 -10.191) 11.586 3.246 ( 0.000 1.907 7.941) 8.167 3.419 ( 0.000 6.278 -6.085) 8.743 3.497 ( 0.000 39.551 -1.619) 39.585 3.498 ( 0.000 32.544 -1.840) 32.596 3.692 ( 0.000 4.027 -4.472) 6.018 3.732 ( 0.000 2.761 -9.507) 9.899 3.877 ( 0.000 8.338 8.180) 11.680 4.015 ( 0.000 4.339 -3.915) 5.844 4.465 ( 0.000 3.639 2.223) 4.265 4.466 ( 0.000 9.180 9.733) 13.379 4.586 ( 0.000 10.027 1.417) 10.126 4.742 ( 0.000 5.070 -4.816) 6.993 4.841 ( 0.000 6.590 4.696) 8.092 4.927 ( 0.000 10.508 -5.363) 11.797 5.144 ( 0.000 2.176 0.373) 2.208 5.175 ( 0.000 0.341 -2.002) 2.031 5.292 ( 0.000 -5.020 6.699) 8.371 5.406 ( 0.000 -5.444 2.101) 5.835 5.600 ( 0.000 -12.091 -4.948) 13.064 5.638 ( 0.000 -8.342 -3.599) 9.086 5.806 ( 0.000 -1.750 3.232) 3.675 5.847 ( 0.000 -2.857 -0.949) 3.011 5.939 ( 0.000 -5.790 2.665) 6.374 5.985 ( 0.000 -4.010 -1.968) 4.468 6.517 ( 0.000 12.475 5.202) 13.516 6.619 ( 0.000 14.599 -4.643) 15.320 6.808 ( 0.000 7.928 13.363) 15.537 6.993 ( 0.000 2.797 -0.512) 2.844 7.024 ( 0.000 -5.971 -0.224) 5.975 7.043 ( 0.000 -2.215 -5.568) 5.993 7.543 ( 0.000 -4.277 1.628) 4.577 7.582 ( 0.000 -5.392 -2.660) 6.012 7.740 ( 0.000 26.420 3.743) 26.683 7.810 ( 0.000 27.487 -3.286) 27.683 8.152 ( 0.000 -15.587 0.136) 15.588 8.161 ( 0.000 -12.963 -1.754) 13.081 8.266 ( 0.000 7.338 8.385) 11.142 8.465 ( 0.000 8.947 -11.301) 14.414 8.904 ( 0.000 -11.439 -0.832) 11.470 8.905 ( 0.000 -10.195 -0.667) 10.216 8.968 ( 0.000 -12.730 6.321) 14.213 9.109 ( 0.000 -10.695 -7.667) 13.159 9.434 ( 0.000 -12.298 7.236) 14.269 9.565 ( 0.000 -11.177 -5.932) 12.653 9.975 ( 0.000 2.781 2.354) 3.644 10.017 ( 0.000 0.083 -1.629) 1.631 10.317 ( 0.000 8.535 3.772) 9.331 10.357 ( 0.000 11.998 0.409) 12.005 10.859 ( 0.000 9.424 3.818) 10.168 10.884 ( 0.000 -0.898 0.760) 1.176 11.030 ( 0.000 15.658 -1.189) 15.703 11.062 ( 0.000 24.884 -3.145) 25.082 11.102 ( 0.000 21.521 -0.908) 21.541 11.124 ( 0.000 1.163 -3.955) 4.122 11.662 ( 0.000 4.490 3.753) 5.852 11.743 ( 0.000 3.605 -3.020) 4.703 11.830 ( 0.000 10.786 -1.620) 10.907 11.840 ( 0.000 2.543 -3.379) 4.229 12.351 ( 0.000 2.612 6.064) 6.603 12.355 ( 0.000 -9.095 1.958) 9.303 12.417 ( 0.000 -10.452 -0.040) 10.452 12.471 ( 0.000 2.769 -1.432) 3.117 12.725 ( 0.000 -10.586 0.445) 10.595 12.762 ( 0.000 -9.904 -2.069) 10.118 13.189 ( 0.000 -11.663 2.346) 11.897 13.309 ( 0.000 -13.033 -8.162) 15.378 14.057 ( 0.000 -6.753 8.160) 10.591 14.184 ( 0.000 6.785 3.539) 7.653 14.195 ( 0.000 -11.755 -5.273) 12.884 14.231 ( 0.000 5.909 -0.923) 5.981 14.653 ( 0.000 -5.122 1.505) 5.338 14.653 ( 0.000 -6.046 1.483) 6.226 16.187 ( 0.000 11.470 13.840) 17.975 16.401 ( 0.000 11.412 -7.096) 13.438 16.823 ( 0.000 2.276 16.896) 17.049 16.974 ( 0.000 7.098 5.124) 8.754 17.149 ( 0.000 45.311 6.119) 45.723 17.303 ( 0.000 47.267 -15.243) 49.664 17.500 ( 0.000 29.833 12.879) 32.494 17.833 ( 0.000 18.093 -17.778) 25.366 18.320 ( 0.000 1.308 -1.752) 2.186 18.342 ( 0.000 0.721 -3.856) 3.922 18.715 ( 0.000 2.302 -2.735) 3.575 18.802 ( 0.000 -6.593 1.932) 6.871 18.811 ( 0.000 0.104 -11.145) 11.145 18.869 ( 0.000 -4.892 -5.018) 7.008 19.183 ( 0.000 -7.088 0.121) 7.089 19.189 ( 0.000 -7.062 -0.750) 7.102 24.325 ( 0.000 18.691 20.810) 27.972 24.481 ( 0.000 26.223 11.925) 28.807 24.616 ( 0.000 19.160 -11.627) 22.412 24.848 ( 0.000 20.027 -21.428) 29.329 25.731 ( 0.000 -17.840 10.506) 20.703 25.931 ( 0.000 -17.064 -9.420) 19.492 26.145 ( 0.000 -15.134 9.853) 18.059 26.346 ( 0.000 -14.717 -10.139) 17.871 ======================= Grid point 151 (56/60) ======================= q-point: ( 0.20 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 0.863 5.796 11.990) 13.345 2.166 ( 0.572 7.838 6.137) 9.972 2.349 ( 4.912 -0.188 4.725) 6.818 2.451 ( -3.166 2.345 -5.112) 6.454 2.467 ( -3.134 10.826 -0.572) 11.285 2.560 ( 1.391 10.331 -4.299) 11.276 2.625 ( 6.728 13.226 5.100) 15.691 2.722 ( 7.811 12.604 -3.444) 15.223 2.821 ( 2.620 3.305 1.508) 4.479 2.896 ( 9.785 -0.745 0.975) 9.862 2.964 ( 4.429 0.212 -2.372) 5.029 3.141 ( 3.735 6.035 -10.209) 12.433 3.274 ( 4.583 2.884 10.043) 11.410 3.446 ( 3.981 9.067 -5.295) 11.229 3.507 ( 1.577 32.416 -0.543) 32.459 3.536 ( 3.366 30.065 -2.198) 30.333 3.705 ( 1.292 7.525 -4.840) 9.040 3.745 ( 1.619 3.616 -10.135) 10.882 3.852 ( -2.771 7.760 7.243) 10.970 3.988 ( -3.168 3.401 -4.374) 6.382 4.330 ( -10.366 4.827 5.051) 12.500 4.386 ( -12.718 4.321 -1.931) 13.570 4.558 ( 0.025 10.610 12.329) 16.266 4.725 ( -8.664 9.678 3.093) 13.353 4.822 ( 3.742 7.928 -2.835) 9.214 4.946 ( -0.919 10.661 -8.769) 13.835 5.131 ( -0.091 -2.032 1.235) 2.380 5.159 ( -0.157 -2.650 -2.181) 3.436 5.336 ( 3.940 -6.805 8.149) 11.324 5.437 ( 2.116 -6.336 4.872) 8.268 5.603 ( 0.773 -10.820 -6.504) 12.648 5.649 ( 0.924 -7.816 -5.305) 9.491 5.783 ( -1.715 -1.108 4.298) 4.758 5.840 ( -1.118 -1.152 -1.279) 2.053 5.919 ( -1.788 -7.257 2.822) 7.989 5.975 ( -1.448 -4.396 -2.575) 5.297 6.514 ( 0.162 11.096 4.123) 11.838 6.595 ( -1.917 12.675 -3.723) 13.349 6.854 ( 4.583 8.413 11.323) 14.832 6.939 ( -5.599 -0.085 1.302) 5.749 6.957 ( -5.921 -4.005 -0.111) 7.149 7.038 ( -0.334 2.851 -6.060) 6.706 7.577 ( 2.195 0.636 0.545) 2.350 7.606 ( 1.378 0.617 -1.711) 2.282 7.809 ( 7.315 14.811 1.893) 16.627 7.846 ( 4.716 18.062 -1.694) 18.744 8.117 ( -2.351 -14.187 1.404) 14.449 8.161 ( -0.779 -9.556 -3.152) 10.092 8.269 ( -0.652 4.592 6.115) 7.675 8.423 ( -4.837 6.208 -8.796) 11.803 8.857 ( -3.114 -5.917 0.924) 6.750 8.870 ( -1.922 -3.352 -0.820) 3.950 9.012 ( 2.927 -15.264 2.523) 15.746 9.097 ( -1.192 -14.976 -4.985) 15.829 9.523 ( 8.334 -8.201 5.514) 12.928 9.631 ( 5.863 -8.848 -4.952) 11.712 9.999 ( 2.439 3.020 1.984) 4.360 10.030 ( 1.395 1.242 -0.937) 2.090 10.328 ( 0.804 8.616 3.476) 9.325 10.360 ( 0.115 11.506 0.817) 11.536 10.845 ( -1.124 11.846 1.712) 12.022 10.872 ( -1.649 2.722 0.532) 3.227 10.893 ( -8.715 17.796 0.746) 19.829 10.990 ( -4.558 14.809 -5.714) 16.515 11.178 ( 3.767 9.834 -0.429) 10.539 11.207 ( 4.730 11.004 -2.505) 12.237 11.637 ( -1.638 5.305 4.702) 7.276 11.740 ( -1.093 4.648 -5.350) 7.171 11.794 ( -1.922 7.601 1.412) 7.966 11.849 ( -0.777 3.412 -3.944) 5.272 12.302 ( -5.233 -10.513 1.294) 11.815 12.344 ( -6.430 -11.592 -1.953) 13.399 12.389 ( 3.975 3.613 6.417) 8.369 12.482 ( 2.262 2.956 -2.018) 4.234 12.773 ( 3.751 -10.362 0.156) 11.021 12.791 ( 2.485 -10.747 -0.932) 11.069 13.277 ( 8.670 -9.261 3.005) 13.037 13.384 ( 7.434 -10.721 -6.839) 14.730 14.001 ( -5.693 -6.657 7.732) 11.684 14.110 ( -5.978 -6.565 -2.455) 9.213 14.224 ( 1.411 3.808 1.792) 4.438 14.258 ( 2.551 1.553 -1.178) 3.210 14.623 ( -2.541 -5.108 2.011) 6.049 14.638 ( -2.057 -5.408 0.579) 5.815 16.208 ( 2.292 11.864 12.430) 17.336 16.386 ( -1.719 11.859 -5.038) 12.999 16.821 ( 0.063 8.324 13.633) 15.973 16.942 ( -3.329 10.495 3.566) 11.574 17.163 ( 2.677 43.427 8.161) 44.268 17.332 ( 0.635 39.220 -7.698) 39.973 17.579 ( 8.808 27.629 7.244) 29.890 17.857 ( 2.085 17.694 -15.386) 23.540 18.321 ( 0.158 1.401 -1.908) 2.372 18.341 ( 0.057 0.654 -4.228) 4.279 18.682 ( -3.346 1.692 -4.225) 5.649 18.743 ( -4.583 -5.147 -0.188) 6.895 18.771 ( -4.287 -0.511 -9.432) 10.373 18.822 ( -4.445 -4.137 -5.641) 8.288 19.214 ( 3.252 -7.980 0.782) 8.652 19.233 ( 3.197 -7.742 -1.076) 8.445 24.287 ( -2.898 23.307 18.474) 29.882 24.418 ( -5.740 28.381 9.397) 30.442 24.679 ( 5.508 16.422 -8.769) 19.414 24.858 ( 0.462 17.768 -19.231) 26.186 25.758 ( 2.889 -17.641 10.234) 20.598 25.932 ( -0.314 -16.856 -5.426) 17.711 26.146 ( 0.568 -15.351 5.887) 16.451 26.321 ( -2.689 -14.855 -9.812) 18.005 ======================= Grid point 152 (57/60) ======================= q-point: ( 0.40 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 2.119 7.119 8.792) 11.510 2.183 ( 1.269 8.349 5.475) 10.065 2.314 ( -2.934 7.609 -3.380) 8.827 2.348 ( -5.679 6.994 -4.089) 9.893 2.527 ( 4.629 10.614 4.764) 12.521 2.583 ( -0.975 10.099 0.083) 10.146 2.784 ( 6.687 5.999 3.382) 9.599 2.822 ( 1.622 4.303 1.788) 4.934 2.891 ( 6.256 6.997 -5.060) 10.663 2.962 ( -1.097 9.846 -9.665) 13.841 3.112 ( 7.815 -1.587 2.308) 8.301 3.180 ( -0.136 3.092 -4.387) 5.369 3.451 ( 11.789 10.844 8.799) 18.276 3.556 ( 4.114 19.503 5.496) 20.676 3.576 ( 2.030 35.885 -1.986) 35.997 3.604 ( 10.523 3.756 0.709) 11.196 3.701 ( -4.114 15.659 -2.716) 16.416 3.771 ( -3.101 4.141 -0.045) 5.173 3.848 ( 7.358 0.047 -8.915) 11.559 3.905 ( -4.037 1.683 -4.342) 6.163 4.061 ( -14.151 4.204 -0.375) 14.767 4.150 ( -14.176 -0.277 -5.555) 15.228 4.542 ( -0.580 14.307 12.516) 19.018 4.582 ( -5.388 13.253 9.761) 17.319 4.871 ( 1.921 10.550 -5.093) 11.871 4.906 ( -2.265 11.551 -7.432) 13.921 5.148 ( 1.219 -8.746 -0.449) 8.842 5.163 ( -0.198 -8.608 -2.212) 8.889 5.409 ( 3.623 -7.894 9.631) 12.969 5.451 ( -0.775 -7.697 9.150) 11.982 5.633 ( 2.156 -8.465 -8.520) 12.202 5.659 ( -0.293 -7.549 -7.933) 10.955 5.771 ( 0.826 -0.160 3.835) 3.927 5.806 ( -2.404 0.490 0.631) 2.533 5.897 ( 0.110 -7.567 0.731) 7.603 5.931 ( -2.980 -5.427 -2.049) 6.521 6.535 ( 2.022 8.861 1.725) 9.251 6.568 ( -1.283 9.247 -1.397) 9.439 6.846 ( -3.251 0.537 0.861) 3.406 6.854 ( -4.052 -1.261 0.174) 4.247 6.949 ( 5.080 8.387 5.914) 11.451 7.018 ( -2.344 6.434 -0.623) 6.876 7.597 ( 0.692 8.123 -1.102) 8.226 7.612 ( -0.646 6.240 -2.045) 6.598 7.947 ( 7.026 0.408 1.569) 7.211 7.983 ( 6.628 -7.652 -1.552) 10.242 8.083 ( -0.236 -4.503 2.024) 4.943 8.146 ( -1.709 -3.748 -4.298) 5.953 8.225 ( -2.033 1.337 3.063) 3.912 8.300 ( -7.685 3.202 -4.397) 9.415 8.835 ( 0.538 1.932 0.231) 2.019 8.850 ( -0.729 2.605 -1.362) 3.029 9.054 ( 1.608 -15.423 0.434) 15.513 9.076 ( -1.068 -16.154 -1.350) 16.245 9.670 ( 6.285 -4.064 2.096) 7.772 9.713 ( 1.745 -5.153 -1.956) 5.781 10.049 ( 2.482 4.914 1.262) 5.648 10.060 ( 1.346 4.571 0.249) 4.771 10.332 ( -0.143 8.924 2.531) 9.277 10.347 ( -1.528 10.264 1.289) 10.457 10.789 ( -1.680 15.902 1.371) 16.049 10.817 ( -3.070 14.133 -0.041) 14.463 10.852 ( 1.657 5.805 -1.543) 6.231 10.912 ( -4.105 8.399 -5.273) 10.733 11.233 ( 2.113 6.947 0.541) 7.281 11.251 ( 0.345 7.282 -1.106) 7.374 11.634 ( 1.607 6.600 3.615) 7.695 11.688 ( -3.831 7.598 -1.010) 8.569 11.788 ( 1.046 3.947 -0.945) 4.191 11.818 ( -2.055 3.058 -3.103) 4.817 12.224 ( -2.174 -11.289 -1.100) 11.549 12.240 ( -3.934 -11.837 -2.496) 12.721 12.475 ( 4.307 3.452 3.712) 6.652 12.515 ( 0.205 2.896 -0.105) 2.906 12.826 ( 1.702 -10.927 -0.248) 11.062 12.830 ( 1.286 -11.332 -0.444) 11.413 13.452 ( 9.081 -4.891 3.241) 10.811 13.516 ( 4.056 -4.954 -2.653) 6.931 13.902 ( -2.593 -10.225 4.483) 11.461 13.972 ( -8.166 -10.252 -2.184) 13.288 14.266 ( 2.634 3.583 2.488) 5.096 14.290 ( 0.472 2.105 0.276) 2.175 14.580 ( -1.393 -4.702 1.328) 5.081 14.592 ( -2.379 -4.886 0.282) 5.441 16.266 ( 3.892 12.514 7.954) 15.330 16.337 ( -3.599 12.522 1.021) 13.069 16.834 ( 1.539 15.379 8.242) 17.516 16.878 ( -3.217 16.339 4.457) 17.239 17.235 ( 4.481 36.083 7.725) 37.172 17.306 ( -3.033 35.032 2.227) 35.234 17.763 ( 9.437 21.020 -1.225) 23.074 17.870 ( -1.970 17.511 -8.663) 19.636 18.331 ( 1.083 1.494 -2.282) 2.934 18.346 ( 0.025 1.617 -3.748) 4.082 18.623 ( -1.516 -0.260 -8.552) 8.689 18.664 ( -4.930 -0.891 -11.421) 12.472 18.706 ( -0.523 -3.436 -0.954) 3.604 18.741 ( -3.786 -3.204 -4.219) 6.512 19.267 ( 1.944 -8.810 0.286) 9.027 19.275 ( 1.062 -8.637 -0.532) 8.719 24.261 ( 0.615 28.988 15.033) 32.660 24.313 ( -4.951 30.686 11.245) 33.054 24.778 ( 4.911 14.215 -10.897) 18.573 24.845 ( -2.220 14.878 -15.210) 21.393 25.827 ( 4.368 -17.152 8.773) 19.755 25.901 ( -3.247 -16.732 3.840) 17.471 26.182 ( 3.412 -15.525 -3.331) 16.241 26.256 ( -4.253 -15.214 -8.270) 17.831 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.00 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 0.000 2.941 12.781) 13.115 2.243 ( 0.000 -0.911 11.567) 11.603 2.299 ( 0.000 6.147 2.530) 6.647 2.401 ( 0.000 -4.213 -3.227) 5.307 2.619 ( 0.000 4.549 -2.910) 5.400 2.670 ( 0.000 -0.016 -4.756) 4.756 2.723 ( 0.000 2.653 5.775) 6.355 2.734 ( 0.000 0.058 4.139) 4.140 2.815 ( 0.000 -0.312 -4.683) 4.693 2.838 ( 0.000 -2.643 2.217) 3.450 2.934 ( 0.000 10.339 -6.993) 12.481 3.074 ( 0.000 -5.048 -8.668) 10.031 3.304 ( 0.000 3.457 0.986) 3.595 3.367 ( 0.000 -3.423 -3.150) 4.652 3.744 ( 0.000 3.114 -6.755) 7.438 3.767 ( 0.000 0.947 -9.543) 9.590 3.986 ( 0.000 2.909 2.175) 3.632 4.003 ( 0.000 1.515 1.408) 2.069 4.222 ( 0.000 22.355 -2.451) 22.489 4.231 ( 0.000 24.279 -2.973) 24.460 4.626 ( 0.000 12.250 5.969) 13.627 4.669 ( 0.000 8.938 6.028) 10.781 4.802 ( 0.000 2.596 4.863) 5.513 4.814 ( 0.000 11.213 1.197) 11.277 4.982 ( 0.000 8.838 11.426) 14.445 5.089 ( 0.000 -6.342 -1.177) 6.451 5.093 ( 0.000 -9.101 4.354) 10.089 5.141 ( 0.000 -3.881 -5.930) 7.087 5.146 ( 0.000 8.859 -3.364) 9.476 5.245 ( 0.000 -11.693 1.683) 11.814 5.328 ( 0.000 -11.624 -5.687) 12.941 5.458 ( 0.000 -11.782 -6.878) 13.643 5.771 ( 0.000 -0.531 2.344) 2.403 5.791 ( 0.000 -2.423 0.218) 2.432 5.934 ( 0.000 2.345 1.646) 2.865 5.962 ( 0.000 -0.330 -1.187) 1.232 6.742 ( 0.000 10.149 5.821) 11.700 6.841 ( 0.000 3.616 -3.071) 4.744 6.919 ( 0.000 2.838 4.142) 5.021 6.979 ( 0.000 -1.239 -1.979) 2.335 7.036 ( 0.000 8.484 4.450) 9.580 7.106 ( 0.000 2.508 -0.635) 2.587 7.465 ( 0.000 -2.861 0.266) 2.873 7.481 ( 0.000 -4.511 -1.988) 4.929 7.902 ( 0.000 -2.719 2.519) 3.706 7.941 ( 0.000 -3.372 -0.491) 3.408 7.962 ( 0.000 -2.872 3.478) 4.510 8.036 ( 0.000 -7.917 -3.612) 8.702 8.393 ( 0.000 9.344 7.801) 12.172 8.554 ( 0.000 -0.273 -5.386) 5.393 8.732 ( 0.000 -5.573 2.597) 6.148 8.856 ( 0.000 -7.827 -3.315) 8.500 8.930 ( 0.000 5.744 -1.629) 5.970 9.011 ( 0.000 15.135 -5.946) 16.262 9.181 ( 0.000 -14.066 7.404) 15.896 9.318 ( 0.000 -14.982 -6.442) 16.308 10.051 ( 0.000 2.797 0.450) 2.833 10.051 ( 0.000 3.665 0.374) 3.684 10.396 ( 0.000 1.782 2.012) 2.688 10.451 ( 0.000 -2.135 -3.084) 3.751 10.873 ( 0.000 3.509 7.851) 8.600 10.934 ( 0.000 0.070 4.679) 4.679 11.140 ( 0.000 1.532 -2.915) 3.293 11.177 ( 0.000 0.683 -4.305) 4.359 11.482 ( 0.000 15.508 -1.416) 15.573 11.519 ( 0.000 13.646 -4.743) 14.447 11.838 ( 0.000 10.038 -0.125) 10.039 11.847 ( 0.000 11.234 -0.857) 11.267 11.924 ( 0.000 1.278 1.644) 2.083 11.972 ( 0.000 0.459 -3.349) 3.380 12.204 ( 0.000 -6.611 -0.414) 6.624 12.205 ( 0.000 -4.519 -0.436) 4.540 12.407 ( 0.000 0.386 7.744) 7.754 12.448 ( 0.000 -5.401 2.263) 5.856 12.547 ( 0.000 -4.987 0.218) 4.992 12.597 ( 0.000 -6.797 -2.189) 7.141 13.028 ( 0.000 -3.219 -2.563) 4.114 13.091 ( 0.000 -8.832 -7.402) 11.524 13.974 ( 0.000 -1.400 4.296) 4.518 14.020 ( 0.000 -6.291 -0.148) 6.293 14.304 ( 0.000 5.195 2.204) 5.643 14.327 ( 0.000 3.251 0.054) 3.251 14.555 ( 0.000 -3.618 1.984) 4.126 14.562 ( 0.000 -3.916 1.293) 4.124 16.419 ( 0.000 12.889 15.224) 19.947 16.600 ( 0.000 3.134 3.265) 4.526 16.714 ( 0.000 -1.730 8.539) 8.712 16.892 ( 0.000 -10.732 -2.414) 11.000 17.960 ( 0.000 33.421 7.871) 34.336 18.026 ( 0.000 21.443 1.364) 21.487 18.029 ( 0.000 24.199 -5.260) 24.765 18.190 ( 0.000 8.949 -10.407) 13.726 18.324 ( 0.000 -0.815 -1.016) 1.303 18.355 ( 0.000 4.602 -2.947) 5.465 18.598 ( 0.000 -12.213 2.828) 12.536 18.708 ( 0.000 -12.078 -7.372) 14.150 18.820 ( 0.000 7.838 -3.926) 8.766 18.860 ( 0.000 4.874 -7.961) 9.335 19.012 ( 0.000 -11.149 -1.797) 11.293 19.014 ( 0.000 -10.045 -1.971) 10.237 24.770 ( 0.000 27.808 15.823) 31.994 25.041 ( 0.000 25.247 -11.609) 27.788 25.086 ( 0.000 35.987 10.618) 37.521 25.304 ( 0.000 -26.823 11.930) 29.357 25.353 ( 0.000 31.758 -15.219) 35.216 25.530 ( 0.000 -24.972 -10.540) 27.105 25.726 ( 0.000 -29.263 9.659) 30.816 25.943 ( 0.000 -28.001 -11.638) 30.324 ======================= Grid point 156 (59/60) ======================= q-point: ( 0.20 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 2.826 4.612 10.083) 11.442 2.292 ( 1.068 1.596 4.460) 4.856 2.336 ( 6.025 2.554 5.125) 8.311 2.424 ( 1.534 -3.757 -2.540) 4.788 2.614 ( -0.184 6.838 -1.472) 6.997 2.683 ( 0.285 4.946 -5.030) 7.061 2.723 ( 1.585 -3.162 1.512) 3.847 2.776 ( 1.429 -4.677 -3.110) 5.796 2.852 ( 7.074 2.807 3.950) 8.575 2.893 ( 7.883 -0.945 9.425) 12.324 3.040 ( 7.565 7.701 -8.076) 13.482 3.144 ( 5.899 -3.313 -8.931) 11.204 3.332 ( 4.557 4.169 3.567) 7.132 3.408 ( 5.796 -3.583 -2.425) 7.233 3.728 ( -0.936 3.428 -7.498) 8.297 3.761 ( 0.240 0.154 -10.583) 10.587 3.947 ( -4.016 4.112 3.873) 6.931 3.986 ( -2.913 -0.510 0.484) 2.997 4.236 ( -0.212 20.740 -1.285) 20.781 4.266 ( 1.452 21.006 -3.809) 21.398 4.476 ( -10.653 12.442 3.235) 16.696 4.516 ( -13.287 10.943 -0.615) 17.224 4.795 ( 2.930 12.584 12.863) 18.232 4.908 ( -4.577 7.005 9.723) 12.828 4.944 ( 0.687 1.332 1.581) 2.178 5.034 ( -4.663 -6.931 -1.531) 8.493 5.077 ( -1.422 -1.574 -2.996) 3.671 5.089 ( -1.638 -3.735 1.875) 4.489 5.208 ( 3.521 1.368 0.076) 3.778 5.280 ( 2.701 -7.026 1.544) 7.684 5.358 ( 3.172 -12.124 -7.680) 14.698 5.470 ( 0.784 -11.541 -7.743) 13.920 5.766 ( -0.215 -0.029 3.068) 3.075 5.789 ( 0.011 -2.561 1.013) 2.754 5.902 ( -3.211 2.323 1.691) 4.309 5.937 ( -2.854 -1.083 -1.578) 3.436 6.709 ( -2.512 9.103 4.689) 10.544 6.799 ( -4.426 7.196 -4.176) 9.424 6.849 ( -4.641 -4.437 3.808) 7.465 6.902 ( -5.337 -3.030 -1.447) 6.306 7.113 ( 5.993 14.061 4.888) 16.047 7.186 ( 5.472 8.486 -1.694) 10.238 7.505 ( 3.741 -5.655 0.041) 6.781 7.514 ( 3.083 -8.141 -1.029) 8.766 7.858 ( -3.579 -0.015 2.465) 4.346 7.893 ( -4.269 -1.650 -0.770) 4.641 7.969 ( 0.109 -6.745 3.128) 7.436 8.026 ( -1.494 -10.987 -2.581) 11.385 8.383 ( -0.874 10.084 5.781) 11.656 8.501 ( -4.673 5.652 -4.754) 8.740 8.685 ( -2.956 -11.896 4.557) 13.077 8.790 ( -5.988 -14.599 -4.581) 16.431 9.014 ( 7.815 14.108 0.184) 16.129 9.068 ( 5.166 16.282 -4.679) 17.711 9.303 ( 10.108 -14.117 3.674) 17.747 9.392 ( 6.482 -15.595 -4.786) 17.553 10.087 ( 4.257 4.370 0.890) 6.165 10.096 ( 4.752 4.059 0.105) 6.251 10.404 ( 0.513 1.293 2.180) 2.586 10.451 ( -0.353 -1.882 -2.074) 2.822 10.880 ( 0.756 4.330 7.100) 8.350 10.948 ( 1.436 0.360 3.101) 3.436 11.088 ( -4.810 4.102 -0.343) 6.331 11.161 ( -2.664 -0.923 -5.434) 6.122 11.452 ( -2.499 16.589 -0.783) 16.795 11.498 ( -2.309 13.434 -4.788) 14.447 11.798 ( -5.341 6.845 0.663) 8.707 11.825 ( -3.693 2.616 -2.166) 5.018 11.900 ( 0.102 2.635 0.723) 2.735 11.932 ( -2.050 0.835 -2.476) 3.321 12.160 ( -4.745 -2.631 -0.437) 5.443 12.168 ( -4.909 -2.723 -1.190) 5.739 12.427 ( 3.312 0.089 5.007) 6.004 12.464 ( 3.260 -4.327 0.562) 5.447 12.584 ( 2.705 -7.275 0.019) 7.761 12.602 ( 0.580 -7.600 -0.922) 7.678 13.164 ( 12.801 -1.660 -0.529) 12.919 13.214 ( 12.058 -6.472 -5.015) 14.575 13.912 ( -6.918 -1.689 4.437) 8.391 13.958 ( -6.891 -6.388 -0.008) 9.397 14.318 ( 1.486 4.706 1.828) 5.263 14.336 ( 1.228 3.329 0.083) 3.550 14.534 ( -2.162 -3.443 1.976) 4.520 14.545 ( -1.969 -4.072 0.964) 4.625 16.450 ( 3.237 13.523 13.809) 19.597 16.615 ( 0.705 8.840 -0.191) 8.870 16.726 ( 1.885 -7.050 12.551) 14.518 16.887 ( -0.725 -10.841 -0.454) 10.875 17.902 ( -3.480 28.542 4.407) 29.089 17.963 ( -4.478 25.579 -1.564) 26.015 18.113 ( 4.177 16.425 -0.429) 16.954 18.183 ( -0.719 2.019 -5.431) 5.839 18.334 ( 0.725 1.629 -0.111) 1.787 18.408 ( 6.242 12.294 -6.711) 15.335 18.588 ( -0.208 -8.359 1.617) 8.516 18.697 ( -2.255 -6.487 -8.186) 10.685 18.768 ( -4.703 5.644 -3.095) 7.972 18.830 ( -3.523 7.200 -8.914) 11.988 18.997 ( 0.122 -14.926 0.316) 14.929 19.039 ( 0.909 -12.512 -3.841) 13.120 24.791 ( 2.409 29.327 16.071) 33.529 25.043 ( -3.283 31.756 10.803) 33.703 25.083 ( 3.136 29.668 -11.539) 31.987 25.329 ( -2.055 25.177 -12.651) 28.252 25.336 ( 2.790 -21.054 8.988) 23.061 25.537 ( 0.103 -24.430 -5.845) 25.119 25.720 ( 0.023 -29.913 5.115) 30.347 25.915 ( -2.983 -28.106 -11.585) 30.546 ======================= Grid point 157 (60/60) ======================= q-point: ( 0.40 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 3.323 5.383 5.085) 8.116 2.318 ( 1.621 4.807 1.842) 5.397 2.379 ( -0.994 0.528 0.170) 1.138 2.407 ( -3.099 -0.414 -2.255) 3.855 2.649 ( 3.539 5.723 2.745) 7.267 2.692 ( -0.499 4.852 -0.150) 4.880 2.765 ( 2.680 -5.877 2.396) 6.889 2.795 ( -0.182 -5.406 0.751) 5.461 3.012 ( 9.207 5.713 -0.738) 10.860 3.079 ( 9.603 -1.995 -0.126) 9.809 3.110 ( -0.765 6.568 -5.211) 8.419 3.186 ( -1.857 -1.785 -6.868) 7.335 3.530 ( 15.568 4.292 9.216) 18.594 3.604 ( 13.437 -2.648 4.294) 14.352 3.736 ( -0.809 4.031 -3.460) 5.374 3.781 ( -3.375 -0.593 -0.993) 3.568 3.868 ( 1.411 2.905 -4.356) 5.423 3.905 ( -1.370 -0.361 -3.134) 3.440 4.074 ( -15.812 5.028 -4.274) 17.133 4.113 ( -15.926 0.548 -6.289) 17.131 4.402 ( 1.496 32.331 -0.561) 32.370 4.414 ( 0.106 31.857 -1.630) 31.899 4.814 ( -0.589 8.720 12.827) 15.522 4.827 ( -2.694 6.645 10.578) 12.779 4.912 ( -1.054 -7.910 0.473) 7.994 4.946 ( -4.190 -5.373 -0.057) 6.814 5.073 ( 0.115 -0.709 -0.453) 0.849 5.077 ( -0.062 -1.325 -0.727) 1.513 5.274 ( 3.159 -1.339 2.417) 4.197 5.305 ( -0.155 -2.126 1.892) 2.850 5.425 ( 3.506 -12.385 -8.661) 15.514 5.469 ( -1.182 -11.861 -8.564) 14.677 5.778 ( 1.885 0.890 3.227) 3.842 5.806 ( 2.079 -2.299 1.112) 3.293 5.834 ( -3.707 1.746 1.750) 4.456 5.868 ( -4.149 -1.942 -1.115) 4.715 6.685 ( 0.261 7.186 1.628) 7.372 6.719 ( -3.422 6.859 -1.715) 7.855 6.796 ( -1.027 -4.493 1.515) 4.852 6.818 ( -3.335 -3.549 -0.608) 4.908 7.215 ( 4.561 17.720 2.877) 18.523 7.251 ( 1.015 16.128 -0.588) 16.170 7.565 ( 2.098 -12.150 -0.169) 12.331 7.568 ( 2.009 -12.469 -0.496) 12.640 7.808 ( -1.227 0.952 1.301) 2.026 7.823 ( -2.766 -0.414 -0.172) 2.803 7.965 ( -0.017 -10.816 1.651) 10.941 7.986 ( -2.328 -13.152 -0.490) 13.365 8.378 ( 0.772 12.223 2.213) 12.445 8.420 ( -3.737 11.373 -1.681) 12.089 8.661 ( 0.431 -16.387 2.346) 16.560 8.698 ( -3.695 -16.503 -1.140) 16.950 9.135 ( 4.316 17.057 -1.410) 17.651 9.149 ( 2.602 17.578 -2.747) 17.980 9.457 ( 5.443 -15.716 0.595) 16.642 9.484 ( 2.356 -16.369 -1.932) 16.650 10.198 ( 6.744 8.154 1.385) 10.672 10.211 ( 6.316 7.978 0.108) 10.176 10.393 ( -1.715 -1.602 2.099) 3.149 10.418 ( -3.481 -2.672 -0.217) 4.393 10.902 ( 1.871 6.400 4.324) 7.947 10.955 ( -2.784 6.805 -0.578) 7.375 11.020 ( 0.398 -0.489 3.013) 3.078 11.082 ( -5.038 -1.091 -3.031) 5.980 11.424 ( -0.025 16.291 -1.269) 16.340 11.450 ( -2.465 15.455 -3.551) 16.048 11.706 ( -2.714 -5.568 -1.304) 6.330 11.728 ( -4.703 -6.897 -3.434) 9.026 11.929 ( 2.169 7.821 -0.136) 8.117 11.938 ( 1.353 8.252 -0.973) 8.418 12.072 ( -3.734 -3.214 -0.799) 4.991 12.074 ( -3.937 -2.568 -1.014) 4.809 12.502 ( 3.690 0.494 2.148) 4.298 12.525 ( 1.720 -0.746 -0.159) 1.882 12.612 ( 0.846 -9.794 0.083) 9.831 12.619 ( 0.568 -9.350 -0.774) 9.400 13.424 ( 14.355 1.879 2.027) 14.618 13.464 ( 13.320 -1.251 -1.899) 13.513 13.737 ( -10.817 -5.009 3.842) 12.524 13.779 ( -11.934 -8.355 -0.247) 14.571 14.357 ( 2.485 5.106 1.591) 5.898 14.369 ( 1.655 4.588 0.483) 4.902 14.488 ( -2.143 -4.635 1.503) 5.323 14.497 ( -2.724 -4.882 0.633) 5.626 16.525 ( 4.530 14.628 9.416) 17.977 16.596 ( -2.844 14.520 2.580) 15.020 16.789 ( 4.336 -11.720 11.090) 16.708 16.857 ( -2.777 -11.305 4.742) 12.570 17.864 ( -0.434 25.943 2.364) 26.054 17.889 ( -3.074 24.740 0.186) 24.931 18.143 ( 0.424 0.333 -0.916) 1.062 18.162 ( -1.597 -1.574 -2.629) 3.456 18.412 ( 7.462 13.167 0.709) 15.151 18.517 ( 1.645 19.582 -6.209) 20.609 18.599 ( 0.622 -4.328 -1.819) 4.735 18.625 ( -1.656 -0.191 -8.044) 8.215 18.694 ( -2.701 1.564 -4.240) 5.265 18.738 ( -5.964 9.861 -9.386) 14.863 19.016 ( 1.549 -18.686 -1.029) 18.778 19.040 ( -0.797 -16.694 -3.330) 17.042 24.857 ( 4.768 32.157 16.051) 36.255 24.955 ( -5.607 33.855 14.818) 37.379 25.167 ( 5.403 27.797 -14.966) 32.029 25.262 ( -4.733 29.039 -15.645) 33.323 25.415 ( 5.125 -26.185 10.762) 28.770 25.503 ( -3.972 -25.020 6.020) 26.039 25.756 ( 3.953 -29.560 -6.380) 30.498 25.841 ( -4.845 -28.553 -10.774) 30.900 =================== 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 3/34020 10.0 1883.047 1611.658 1525.484 0.000 0.000 -0.000 3/34020 20.0 270.239 391.330 231.427 0.000 0.000 -0.000 3/34020 30.0 98.422 180.107 78.377 0.000 0.000 -0.000 3/34020 40.0 53.927 106.038 40.255 0.000 0.000 -0.000 3/34020 50.0 35.910 72.386 25.661 0.000 0.000 -0.000 3/34020 60.0 26.520 53.995 18.447 0.000 0.000 -0.000 3/34020 70.0 20.831 42.640 14.255 0.000 0.000 -0.000 3/34020 80.0 17.041 35.028 11.546 0.000 0.000 -0.000 3/34020 90.0 14.349 29.619 9.666 0.000 0.000 -0.000 3/34020 100.0 12.349 25.605 8.291 0.000 0.000 -0.000 3/34020 110.0 10.811 22.524 7.247 0.000 0.000 -0.000 3/34020 120.0 9.597 20.092 6.431 0.000 0.000 -0.000 3/34020 130.0 8.617 18.130 5.778 0.000 0.000 -0.000 3/34020 140.0 7.812 16.518 5.245 0.000 0.000 -0.000 3/34020 150.0 7.141 15.171 4.803 0.000 0.000 -0.000 3/34020 160.0 6.574 14.031 4.431 0.000 0.000 -0.000 3/34020 170.0 6.089 13.053 4.115 0.000 0.000 -0.000 3/34020 180.0 5.671 12.207 3.842 0.000 0.000 -0.000 3/34020 190.0 5.306 11.468 3.605 0.000 0.000 -0.000 3/34020 200.0 4.986 10.816 3.397 0.000 0.000 -0.000 3/34020 210.0 4.703 10.237 3.214 0.000 0.000 -0.000 3/34020 220.0 4.450 9.720 3.051 0.000 0.000 -0.000 3/34020 230.0 4.224 9.255 2.904 0.000 0.000 -0.000 3/34020 240.0 4.021 8.834 2.772 0.000 0.000 -0.000 3/34020 250.0 3.836 8.452 2.653 0.000 0.000 -0.000 3/34020 260.0 3.669 8.103 2.544 0.000 0.000 -0.000 3/34020 270.0 3.515 7.783 2.444 0.000 0.000 -0.000 3/34020 280.0 3.375 7.489 2.353 0.000 0.000 -0.000 3/34020 290.0 3.245 7.217 2.268 0.000 0.000 -0.000 3/34020 300.0 3.126 6.965 2.190 0.000 0.000 -0.000 3/34020 310.0 3.015 6.730 2.118 0.000 0.000 -0.000 3/34020 320.0 2.912 6.512 2.050 0.000 0.000 -0.000 3/34020 330.0 2.816 6.308 1.987 0.000 0.000 -0.000 3/34020 340.0 2.727 6.117 1.928 0.000 0.000 -0.000 3/34020 350.0 2.643 5.937 1.872 0.000 0.000 -0.000 3/34020 360.0 2.564 5.768 1.820 0.000 0.000 -0.000 3/34020 370.0 2.490 5.609 1.770 0.000 0.000 -0.000 3/34020 380.0 2.420 5.458 1.724 0.000 0.000 -0.000 3/34020 390.0 2.354 5.316 1.680 0.000 0.000 -0.000 3/34020 400.0 2.292 5.181 1.638 0.000 0.000 -0.000 3/34020 410.0 2.233 5.053 1.598 0.000 0.000 -0.000 3/34020 420.0 2.177 4.932 1.561 0.000 0.000 -0.000 3/34020 430.0 2.124 4.816 1.525 0.000 0.000 -0.000 3/34020 440.0 2.073 4.705 1.490 0.000 0.000 -0.000 3/34020 450.0 2.025 4.600 1.458 0.000 0.000 -0.000 3/34020 460.0 1.979 4.499 1.426 0.000 0.000 -0.000 3/34020 470.0 1.936 4.403 1.396 0.000 0.000 -0.000 3/34020 480.0 1.894 4.311 1.368 0.000 0.000 -0.000 3/34020 490.0 1.854 4.223 1.340 0.000 0.000 -0.000 3/34020 500.0 1.815 4.138 1.314 0.000 0.000 -0.000 3/34020 510.0 1.778 4.057 1.288 0.000 0.000 -0.000 3/34020 520.0 1.743 3.978 1.264 0.000 0.000 -0.000 3/34020 530.0 1.709 3.903 1.240 0.000 0.000 -0.000 3/34020 540.0 1.677 3.831 1.218 0.000 0.000 -0.000 3/34020 550.0 1.645 3.761 1.196 0.000 0.000 -0.000 3/34020 560.0 1.615 3.694 1.175 0.000 0.000 -0.000 3/34020 570.0 1.586 3.629 1.155 0.000 0.000 -0.000 3/34020 580.0 1.558 3.567 1.135 0.000 0.000 -0.000 3/34020 590.0 1.531 3.506 1.116 0.000 0.000 -0.000 3/34020 600.0 1.505 3.448 1.098 0.000 0.000 -0.000 3/34020 610.0 1.480 3.391 1.080 0.000 0.000 -0.000 3/34020 620.0 1.455 3.337 1.063 0.000 0.000 -0.000 3/34020 630.0 1.432 3.284 1.046 0.000 0.000 -0.000 3/34020 640.0 1.409 3.233 1.030 0.000 0.000 -0.000 3/34020 650.0 1.387 3.183 1.015 0.000 0.000 -0.000 3/34020 660.0 1.365 3.135 0.999 0.000 0.000 -0.000 3/34020 670.0 1.345 3.088 0.985 0.000 0.000 -0.000 3/34020 680.0 1.324 3.043 0.971 0.000 0.000 -0.000 3/34020 690.0 1.305 2.999 0.957 0.000 0.000 -0.000 3/34020 700.0 1.286 2.956 0.943 0.000 0.000 -0.000 3/34020 710.0 1.268 2.915 0.930 0.000 0.000 -0.000 3/34020 720.0 1.250 2.874 0.917 0.000 0.000 -0.000 3/34020 730.0 1.232 2.835 0.905 0.000 0.000 -0.000 3/34020 740.0 1.215 2.797 0.893 0.000 0.000 -0.000 3/34020 750.0 1.199 2.760 0.881 0.000 0.000 -0.000 3/34020 760.0 1.183 2.724 0.870 0.000 0.000 -0.000 3/34020 770.0 1.167 2.688 0.859 0.000 0.000 -0.000 3/34020 780.0 1.152 2.654 0.848 0.000 0.000 -0.000 3/34020 790.0 1.137 2.620 0.837 0.000 0.000 -0.000 3/34020 800.0 1.123 2.588 0.827 0.000 0.000 -0.000 3/34020 810.0 1.109 2.556 0.817 0.000 0.000 -0.000 3/34020 820.0 1.095 2.525 0.807 0.000 0.000 -0.000 3/34020 830.0 1.082 2.495 0.797 0.000 0.000 -0.000 3/34020 840.0 1.069 2.465 0.788 0.000 0.000 -0.000 3/34020 850.0 1.056 2.436 0.779 0.000 0.000 -0.000 3/34020 860.0 1.044 2.408 0.770 0.000 0.000 -0.000 3/34020 870.0 1.032 2.380 0.761 0.000 0.000 -0.000 3/34020 880.0 1.020 2.353 0.752 0.000 0.000 -0.000 3/34020 890.0 1.008 2.327 0.744 0.000 0.000 -0.000 3/34020 900.0 0.997 2.301 0.736 0.000 0.000 -0.000 3/34020 910.0 0.986 2.276 0.728 0.000 0.000 -0.000 3/34020 920.0 0.975 2.251 0.720 0.000 0.000 -0.000 3/34020 930.0 0.965 2.227 0.712 0.000 0.000 -0.000 3/34020 940.0 0.954 2.203 0.705 0.000 0.000 -0.000 3/34020 950.0 0.944 2.180 0.698 0.000 0.000 -0.000 3/34020 960.0 0.934 2.158 0.690 0.000 0.000 -0.000 3/34020 970.0 0.924 2.136 0.683 0.000 0.000 -0.000 3/34020 980.0 0.915 2.114 0.676 0.000 0.000 -0.000 3/34020 990.0 0.906 2.093 0.670 0.000 0.000 -0.000 3/34020 1000.0 0.897 2.072 0.663 0.000 0.000 -0.000 3/34020 Thermal conductivity related properties were written into "kappa-m579.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:54:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|