----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:59:48]------------------------- 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 13.563981899999998 0.000000000000000 0.000000000000000 b 0.000000000000000 8.157611030000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.264360270000000 Atomic positions (fractional): *1 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 2 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 3 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 4 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 *5 Ca 0.72657824087257 0.75000000000000 0.48265667018174 40.078 6 Ca 0.77342175912743 0.25000000000000 0.98265667018174 40.078 7 Ca 0.27342175912743 0.25000000000000 0.51734332981826 40.078 8 Ca 0.22657824087257 0.75000000000000 0.01734332981826 40.078 *9 Ge 0.90640917359041 0.75000000000000 0.90788314555428 72.640 10 Ge 0.59359082640959 0.25000000000000 0.40788314555428 72.640 11 Ge 0.09359082640959 0.25000000000000 0.09211685444572 72.640 12 Ge 0.40640917359041 0.75000000000000 0.59211685444572 72.640 *13 S 0.05811458486730 0.75000000000000 0.76958411486160 32.065 14 S 0.44188541513270 0.25000000000000 0.26958411486160 32.065 15 S 0.94188541513270 0.25000000000000 0.23041588513840 32.065 16 S 0.55811458486730 0.75000000000000 0.73041588513840 32.065 *17 S 0.90710514368741 0.75000000000000 0.25896008108386 32.065 18 S 0.59289485631259 0.25000000000000 0.75896008108386 32.065 19 S 0.09289485631259 0.25000000000000 0.74103991891614 32.065 20 S 0.40710514368741 0.75000000000000 0.24103991891614 32.065 *21 S 0.83032152101080 0.96347653936049 0.75844943414723 32.065 22 S 0.66967847898920 0.03652346063951 0.25844943414723 32.065 23 S 0.16967847898920 0.46347653936049 0.24155056585277 32.065 24 S 0.33032152101080 0.53652346063951 0.74155056585277 32.065 25 S 0.16967847898920 0.03652346063951 0.24155056585277 32.065 26 S 0.33032152101080 0.96347653936049 0.74155056585277 32.065 27 S 0.83032152101080 0.53652346063951 0.75844943414723 32.065 28 S 0.66967847898920 0.46347653936049 0.25844943414723 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.563981899999998 0.000000000000000 0.000000000000000 b 0.000000000000000 8.157611030000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.264360270000000 Atomic positions (fractional): *1 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 1 2 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 2 3 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 3 4 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 4 *5 Ca 0.72657824087257 0.75000000000000 0.48265667018174 40.078 > 5 6 Ca 0.77342175912743 0.25000000000000 0.98265667018174 40.078 > 6 7 Ca 0.27342175912743 0.25000000000000 0.51734332981826 40.078 > 7 8 Ca 0.22657824087257 0.75000000000000 0.01734332981826 40.078 > 8 *9 Ge 0.90640917359041 0.75000000000000 0.90788314555428 72.640 > 9 10 Ge 0.59359082640959 0.25000000000000 0.40788314555428 72.640 > 10 11 Ge 0.09359082640959 0.25000000000000 0.09211685444572 72.640 > 11 12 Ge 0.40640917359041 0.75000000000000 0.59211685444572 72.640 > 12 *13 S 0.05811458486730 0.75000000000000 0.76958411486160 32.065 > 13 14 S 0.44188541513270 0.25000000000000 0.26958411486160 32.065 > 14 15 S 0.94188541513270 0.25000000000000 0.23041588513840 32.065 > 15 16 S 0.55811458486730 0.75000000000000 0.73041588513840 32.065 > 16 *17 S 0.90710514368741 0.75000000000000 0.25896008108386 32.065 > 17 18 S 0.59289485631259 0.25000000000000 0.75896008108386 32.065 > 18 19 S 0.09289485631259 0.25000000000000 0.74103991891614 32.065 > 19 20 S 0.40710514368741 0.75000000000000 0.24103991891614 32.065 > 20 *21 S 0.83032152101080 0.96347653936049 0.75844943414723 32.065 > 21 22 S 0.66967847898920 0.03652346063951 0.25844943414723 32.065 > 22 23 S 0.16967847898920 0.46347653936049 0.24155056585277 32.065 > 23 24 S 0.33032152101080 0.53652346063951 0.74155056585277 32.065 > 24 25 S 0.16967847898920 0.03652346063951 0.24155056585277 32.065 > 25 26 S 0.33032152101080 0.96347653936049 0.74155056585277 32.065 > 26 27 S 0.83032152101080 0.53652346063951 0.75844943414723 32.065 > 27 28 S 0.66967847898920 0.46347653936049 0.25844943414723 32.065 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.563981899999998 0.000000000000000 0.000000000000000 b 0.000000000000000 16.315222060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.528720540000000 Atomic positions (fractional): *1 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 1 2 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 1 3 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 1 4 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 1 5 Ca 0.00000000000000 0.00000000000000 0.25000000000000 40.078 > 2 6 Ca 0.00000000000000 0.50000000000000 0.25000000000000 40.078 > 2 7 Ca 0.00000000000000 0.00000000000000 0.75000000000000 40.078 > 2 8 Ca 0.00000000000000 0.50000000000000 0.75000000000000 40.078 > 2 9 Ca 0.50000000000000 0.25000000000000 0.00000000000000 40.078 > 3 10 Ca 0.50000000000000 0.75000000000000 0.00000000000000 40.078 > 3 11 Ca 0.50000000000000 0.25000000000000 0.50000000000000 40.078 > 3 12 Ca 0.50000000000000 0.75000000000000 0.50000000000000 40.078 > 3 13 Ca 0.00000000000000 0.25000000000000 0.25000000000000 40.078 > 4 14 Ca 0.00000000000000 0.75000000000000 0.25000000000000 40.078 > 4 15 Ca 0.00000000000000 0.25000000000000 0.75000000000000 40.078 > 4 16 Ca 0.00000000000000 0.75000000000000 0.75000000000000 40.078 > 4 *17 Ca 0.72657824087257 0.37500000000000 0.24132833509087 40.078 > 5 18 Ca 0.72657824087257 0.87500000000000 0.24132833509087 40.078 > 5 19 Ca 0.72657824087257 0.37500000000000 0.74132833509087 40.078 > 5 20 Ca 0.72657824087257 0.87500000000000 0.74132833509087 40.078 > 5 21 Ca 0.77342175912743 0.12500000000000 0.49132833509087 40.078 > 6 22 Ca 0.77342175912743 0.62500000000000 0.49132833509087 40.078 > 6 23 Ca 0.77342175912743 0.12500000000000 0.99132833509087 40.078 > 6 24 Ca 0.77342175912743 0.62500000000000 0.99132833509087 40.078 > 6 25 Ca 0.27342175912743 0.12500000000000 0.25867166490913 40.078 > 7 26 Ca 0.27342175912743 0.62500000000000 0.25867166490913 40.078 > 7 27 Ca 0.27342175912743 0.12500000000000 0.75867166490913 40.078 > 7 28 Ca 0.27342175912743 0.62500000000000 0.75867166490913 40.078 > 7 29 Ca 0.22657824087257 0.37500000000000 0.00867166490913 40.078 > 8 30 Ca 0.22657824087257 0.87500000000000 0.00867166490913 40.078 > 8 31 Ca 0.22657824087257 0.37500000000000 0.50867166490913 40.078 > 8 32 Ca 0.22657824087257 0.87500000000000 0.50867166490913 40.078 > 8 *33 Ge 0.90640917359041 0.37500000000000 0.45394157277714 72.640 > 9 34 Ge 0.90640917359041 0.87500000000000 0.45394157277714 72.640 > 9 35 Ge 0.90640917359041 0.37500000000000 0.95394157277714 72.640 > 9 36 Ge 0.90640917359041 0.87500000000000 0.95394157277714 72.640 > 9 37 Ge 0.59359082640959 0.12500000000000 0.20394157277714 72.640 > 10 38 Ge 0.59359082640959 0.62500000000000 0.20394157277714 72.640 > 10 39 Ge 0.59359082640959 0.12500000000000 0.70394157277714 72.640 > 10 40 Ge 0.59359082640959 0.62500000000000 0.70394157277714 72.640 > 10 41 Ge 0.09359082640959 0.12500000000000 0.04605842722286 72.640 > 11 42 Ge 0.09359082640959 0.62500000000000 0.04605842722286 72.640 > 11 43 Ge 0.09359082640959 0.12500000000000 0.54605842722286 72.640 > 11 44 Ge 0.09359082640959 0.62500000000000 0.54605842722286 72.640 > 11 45 Ge 0.40640917359041 0.37500000000000 0.29605842722286 72.640 > 12 46 Ge 0.40640917359041 0.87500000000000 0.29605842722286 72.640 > 12 47 Ge 0.40640917359041 0.37500000000000 0.79605842722286 72.640 > 12 48 Ge 0.40640917359041 0.87500000000000 0.79605842722286 72.640 > 12 *49 S 0.05811458486730 0.37500000000000 0.38479205743080 32.065 > 13 50 S 0.05811458486730 0.87500000000000 0.38479205743080 32.065 > 13 51 S 0.05811458486730 0.37500000000000 0.88479205743080 32.065 > 13 52 S 0.05811458486730 0.87500000000000 0.88479205743080 32.065 > 13 53 S 0.44188541513270 0.12500000000000 0.13479205743080 32.065 > 14 54 S 0.44188541513270 0.62500000000000 0.13479205743080 32.065 > 14 55 S 0.44188541513270 0.12500000000000 0.63479205743080 32.065 > 14 56 S 0.44188541513270 0.62500000000000 0.63479205743080 32.065 > 14 57 S 0.94188541513270 0.12500000000000 0.11520794256920 32.065 > 15 58 S 0.94188541513270 0.62500000000000 0.11520794256920 32.065 > 15 59 S 0.94188541513270 0.12500000000000 0.61520794256920 32.065 > 15 60 S 0.94188541513270 0.62500000000000 0.61520794256920 32.065 > 15 61 S 0.55811458486730 0.37500000000000 0.36520794256920 32.065 > 16 62 S 0.55811458486730 0.87500000000000 0.36520794256920 32.065 > 16 63 S 0.55811458486730 0.37500000000000 0.86520794256920 32.065 > 16 64 S 0.55811458486730 0.87500000000000 0.86520794256920 32.065 > 16 *65 S 0.90710514368741 0.37500000000000 0.12948004054193 32.065 > 17 66 S 0.90710514368741 0.87500000000000 0.12948004054193 32.065 > 17 67 S 0.90710514368741 0.37500000000000 0.62948004054193 32.065 > 17 68 S 0.90710514368741 0.87500000000000 0.62948004054193 32.065 > 17 69 S 0.59289485631259 0.12500000000000 0.37948004054193 32.065 > 18 70 S 0.59289485631259 0.62500000000000 0.37948004054193 32.065 > 18 71 S 0.59289485631259 0.12500000000000 0.87948004054193 32.065 > 18 72 S 0.59289485631259 0.62500000000000 0.87948004054193 32.065 > 18 73 S 0.09289485631259 0.12500000000000 0.37051995945807 32.065 > 19 74 S 0.09289485631259 0.62500000000000 0.37051995945807 32.065 > 19 75 S 0.09289485631259 0.12500000000000 0.87051995945807 32.065 > 19 76 S 0.09289485631259 0.62500000000000 0.87051995945807 32.065 > 19 77 S 0.40710514368741 0.37500000000000 0.12051995945807 32.065 > 20 78 S 0.40710514368741 0.87500000000000 0.12051995945807 32.065 > 20 79 S 0.40710514368741 0.37500000000000 0.62051995945807 32.065 > 20 80 S 0.40710514368741 0.87500000000000 0.62051995945807 32.065 > 20 *81 S 0.83032152101080 0.48173826968025 0.37922471707362 32.065 > 21 82 S 0.83032152101080 0.98173826968025 0.37922471707362 32.065 > 21 83 S 0.83032152101080 0.48173826968025 0.87922471707362 32.065 > 21 84 S 0.83032152101080 0.98173826968025 0.87922471707362 32.065 > 21 85 S 0.66967847898920 0.01826173031975 0.12922471707362 32.065 > 22 86 S 0.66967847898920 0.51826173031975 0.12922471707362 32.065 > 22 87 S 0.66967847898920 0.01826173031975 0.62922471707362 32.065 > 22 88 S 0.66967847898920 0.51826173031975 0.62922471707362 32.065 > 22 89 S 0.16967847898920 0.23173826968025 0.12077528292638 32.065 > 23 90 S 0.16967847898920 0.73173826968025 0.12077528292638 32.065 > 23 91 S 0.16967847898920 0.23173826968025 0.62077528292638 32.065 > 23 92 S 0.16967847898920 0.73173826968025 0.62077528292638 32.065 > 23 93 S 0.33032152101080 0.26826173031975 0.37077528292638 32.065 > 24 94 S 0.33032152101080 0.76826173031975 0.37077528292638 32.065 > 24 95 S 0.33032152101080 0.26826173031975 0.87077528292638 32.065 > 24 96 S 0.33032152101080 0.76826173031975 0.87077528292638 32.065 > 24 97 S 0.16967847898920 0.01826173031975 0.12077528292638 32.065 > 25 98 S 0.16967847898920 0.51826173031975 0.12077528292638 32.065 > 25 99 S 0.16967847898920 0.01826173031975 0.62077528292638 32.065 > 25 100 S 0.16967847898920 0.51826173031975 0.62077528292638 32.065 > 25 101 S 0.33032152101080 0.48173826968025 0.37077528292638 32.065 > 26 102 S 0.33032152101080 0.98173826968025 0.37077528292638 32.065 > 26 103 S 0.33032152101080 0.48173826968025 0.87077528292638 32.065 > 26 104 S 0.33032152101080 0.98173826968025 0.87077528292638 32.065 > 26 105 S 0.83032152101080 0.26826173031975 0.37922471707362 32.065 > 27 106 S 0.83032152101080 0.76826173031975 0.37922471707362 32.065 > 27 107 S 0.83032152101080 0.26826173031975 0.87922471707362 32.065 > 27 108 S 0.83032152101080 0.76826173031975 0.87922471707362 32.065 > 27 109 S 0.66967847898920 0.23173826968025 0.12922471707362 32.065 > 28 110 S 0.66967847898920 0.73173826968025 0.12922471707362 32.065 > 28 111 S 0.66967847898920 0.23173826968025 0.62922471707362 32.065 > 28 112 S 0.66967847898920 0.73173826968025 0.62922471707362 32.065 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7522924 0.0000000 0.0000000 0.0000000 4.7005679 0.0000000 0.0000000 0.0000000 5.1964385 -------------------------- Born effective charges -------------------------- 1 Ca 1.8484304 0.7528888 0.2397596 0.5678082 2.4123062 0.4463942 -0.0757621 -0.0537173 2.6387706 2 Ca 1.8484304 0.7528888 -0.2397596 0.5678082 2.4123062 -0.4463942 0.0757621 0.0537173 2.6387706 3 Ca 1.8484304 -0.7528888 0.2397596 -0.5678082 2.4123062 -0.4463942 -0.0757621 0.0537173 2.6387706 4 Ca 1.8484304 -0.7528888 -0.2397596 -0.5678082 2.4123062 0.4463942 0.0757621 -0.0537173 2.6387706 5 Ca 2.8775651 0.0000000 0.1044773 0.0000000 2.5251432 0.0000000 -0.1779974 0.0000000 2.1733534 6 Ca 2.8775651 0.0000000 -0.1044773 0.0000000 2.5251432 0.0000000 0.1779974 0.0000000 2.1733534 7 Ca 2.8775651 0.0000000 0.1044773 0.0000000 2.5251432 0.0000000 -0.1779974 0.0000000 2.1733534 8 Ca 2.8775651 0.0000000 -0.1044773 0.0000000 2.5251432 0.0000000 0.1779974 0.0000000 2.1733534 9 Ge 2.3631654 0.0000000 -0.0024102 0.0000000 2.4770003 0.0000000 -0.0086929 0.0000000 3.2473743 10 Ge 2.3631654 0.0000000 0.0024102 0.0000000 2.4770003 0.0000000 0.0086929 0.0000000 3.2473743 11 Ge 2.3631654 0.0000000 -0.0024102 0.0000000 2.4770003 0.0000000 -0.0086929 0.0000000 3.2473743 12 Ge 2.3631654 0.0000000 0.0024102 0.0000000 2.4770003 0.0000000 0.0086929 0.0000000 3.2473743 13 S -2.3908237 0.0000000 0.1089940 0.0000000 -1.4641638 0.0000000 -0.0404980 0.0000000 -1.8105830 14 S -2.3908237 0.0000000 -0.1089940 0.0000000 -1.4641638 0.0000000 0.0404980 0.0000000 -1.8105830 15 S -2.3908237 0.0000000 0.1089940 0.0000000 -1.4641638 0.0000000 -0.0404980 0.0000000 -1.8105830 16 S -2.3908237 0.0000000 -0.1089940 0.0000000 -1.4641638 0.0000000 0.0404980 0.0000000 -1.8105830 17 S -1.4480440 0.0000000 -0.0683814 0.0000000 -1.3903048 0.0000000 -0.0626305 0.0000000 -2.8273246 18 S -1.4480440 0.0000000 0.0683814 0.0000000 -1.3903048 0.0000000 0.0626305 0.0000000 -2.8273246 19 S -1.4480440 0.0000000 -0.0683814 0.0000000 -1.3903048 0.0000000 -0.0626305 0.0000000 -2.8273246 20 S -1.4480440 0.0000000 0.0683814 0.0000000 -1.3903048 0.0000000 0.0626305 0.0000000 -2.8273246 21 S -1.6251465 0.2846755 -0.0360970 0.2953790 -2.2799905 0.0080443 0.0236360 -0.0301689 -1.7107953 22 S -1.6251465 0.2846755 0.0360970 0.2953790 -2.2799905 -0.0080443 -0.0236360 0.0301689 -1.7107953 23 S -1.6251465 -0.2846755 -0.0360970 -0.2953790 -2.2799905 -0.0080443 0.0236360 0.0301689 -1.7107953 24 S -1.6251465 -0.2846755 0.0360970 -0.2953790 -2.2799905 0.0080443 -0.0236360 -0.0301689 -1.7107953 25 S -1.6251465 0.2846755 -0.0360970 0.2953790 -2.2799905 0.0080443 0.0236360 -0.0301689 -1.7107953 26 S -1.6251465 0.2846755 0.0360970 0.2953790 -2.2799905 -0.0080443 -0.0236360 0.0301689 -1.7107953 27 S -1.6251465 -0.2846755 -0.0360970 -0.2953790 -2.2799905 -0.0080443 0.0236360 0.0301689 -1.7107953 28 S -1.6251465 -0.2846755 0.0360970 -0.2953790 -2.2799905 0.0080443 -0.0236360 -0.0301689 -1.7107953 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.310 Solver_block: 200 / 480 - Time: 3.087 Solver_block: 300 / 480 - Time: 3.100 Solver_block: 400 / 480 - Time: 3.258 Solver_block: 480 / 480 - Time: 2.649 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.626 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:00:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:00:33]------------------------- 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 13.563981899999998 0.000000000000000 0.000000000000000 b 0.000000000000000 8.157611030000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.264360270000000 Atomic positions (fractional): 1 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 2 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 3 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 4 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 5 Ca 0.72657824087257 0.75000000000000 0.48265667018174 40.078 6 Ca 0.77342175912743 0.25000000000000 0.98265667018174 40.078 7 Ca 0.27342175912743 0.25000000000000 0.51734332981826 40.078 8 Ca 0.22657824087257 0.75000000000000 0.01734332981826 40.078 9 Ge 0.90640917359041 0.75000000000000 0.90788314555428 72.640 10 Ge 0.59359082640959 0.25000000000000 0.40788314555428 72.640 11 Ge 0.09359082640959 0.25000000000000 0.09211685444572 72.640 12 Ge 0.40640917359041 0.75000000000000 0.59211685444572 72.640 13 S 0.05811458486730 0.75000000000000 0.76958411486160 32.065 14 S 0.44188541513270 0.25000000000000 0.26958411486160 32.065 15 S 0.94188541513270 0.25000000000000 0.23041588513840 32.065 16 S 0.55811458486730 0.75000000000000 0.73041588513840 32.065 17 S 0.90710514368741 0.75000000000000 0.25896008108386 32.065 18 S 0.59289485631259 0.25000000000000 0.75896008108386 32.065 19 S 0.09289485631259 0.25000000000000 0.74103991891614 32.065 20 S 0.40710514368741 0.75000000000000 0.24103991891614 32.065 21 S 0.83032152101080 0.96347653936049 0.75844943414723 32.065 22 S 0.66967847898920 0.03652346063951 0.25844943414723 32.065 23 S 0.16967847898920 0.46347653936049 0.24155056585277 32.065 24 S 0.33032152101080 0.53652346063951 0.74155056585277 32.065 25 S 0.16967847898920 0.03652346063951 0.24155056585277 32.065 26 S 0.33032152101080 0.96347653936049 0.74155056585277 32.065 27 S 0.83032152101080 0.53652346063951 0.75844943414723 32.065 28 S 0.66967847898920 0.46347653936049 0.25844943414723 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.563981899999998 0.000000000000000 0.000000000000000 b 0.000000000000000 16.315222060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.528720540000000 Atomic positions (fractional): 1 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 1 2 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 1 3 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 1 4 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 1 5 Ca 0.00000000000000 0.00000000000000 0.25000000000000 40.078 > 5 6 Ca 0.00000000000000 0.50000000000000 0.25000000000000 40.078 > 5 7 Ca 0.00000000000000 0.00000000000000 0.75000000000000 40.078 > 5 8 Ca 0.00000000000000 0.50000000000000 0.75000000000000 40.078 > 5 9 Ca 0.50000000000000 0.25000000000000 0.00000000000000 40.078 > 9 10 Ca 0.50000000000000 0.75000000000000 0.00000000000000 40.078 > 9 11 Ca 0.50000000000000 0.25000000000000 0.50000000000000 40.078 > 9 12 Ca 0.50000000000000 0.75000000000000 0.50000000000000 40.078 > 9 13 Ca 0.00000000000000 0.25000000000000 0.25000000000000 40.078 > 13 14 Ca 0.00000000000000 0.75000000000000 0.25000000000000 40.078 > 13 15 Ca 0.00000000000000 0.25000000000000 0.75000000000000 40.078 > 13 16 Ca 0.00000000000000 0.75000000000000 0.75000000000000 40.078 > 13 17 Ca 0.72657824087257 0.37500000000000 0.24132833509087 40.078 > 17 18 Ca 0.72657824087257 0.87500000000000 0.24132833509087 40.078 > 17 19 Ca 0.72657824087257 0.37500000000000 0.74132833509087 40.078 > 17 20 Ca 0.72657824087257 0.87500000000000 0.74132833509087 40.078 > 17 21 Ca 0.77342175912743 0.12500000000000 0.49132833509087 40.078 > 21 22 Ca 0.77342175912743 0.62500000000000 0.49132833509087 40.078 > 21 23 Ca 0.77342175912743 0.12500000000000 0.99132833509087 40.078 > 21 24 Ca 0.77342175912743 0.62500000000000 0.99132833509087 40.078 > 21 25 Ca 0.27342175912743 0.12500000000000 0.25867166490913 40.078 > 25 26 Ca 0.27342175912743 0.62500000000000 0.25867166490913 40.078 > 25 27 Ca 0.27342175912743 0.12500000000000 0.75867166490913 40.078 > 25 28 Ca 0.27342175912743 0.62500000000000 0.75867166490913 40.078 > 25 29 Ca 0.22657824087257 0.37500000000000 0.00867166490913 40.078 > 29 30 Ca 0.22657824087257 0.87500000000000 0.00867166490913 40.078 > 29 31 Ca 0.22657824087257 0.37500000000000 0.50867166490913 40.078 > 29 32 Ca 0.22657824087257 0.87500000000000 0.50867166490913 40.078 > 29 33 Ge 0.90640917359041 0.37500000000000 0.45394157277714 72.640 > 33 34 Ge 0.90640917359041 0.87500000000000 0.45394157277714 72.640 > 33 35 Ge 0.90640917359041 0.37500000000000 0.95394157277714 72.640 > 33 36 Ge 0.90640917359041 0.87500000000000 0.95394157277714 72.640 > 33 37 Ge 0.59359082640959 0.12500000000000 0.20394157277714 72.640 > 37 38 Ge 0.59359082640959 0.62500000000000 0.20394157277714 72.640 > 37 39 Ge 0.59359082640959 0.12500000000000 0.70394157277714 72.640 > 37 40 Ge 0.59359082640959 0.62500000000000 0.70394157277714 72.640 > 37 41 Ge 0.09359082640959 0.12500000000000 0.04605842722286 72.640 > 41 42 Ge 0.09359082640959 0.62500000000000 0.04605842722286 72.640 > 41 43 Ge 0.09359082640959 0.12500000000000 0.54605842722286 72.640 > 41 44 Ge 0.09359082640959 0.62500000000000 0.54605842722286 72.640 > 41 45 Ge 0.40640917359041 0.37500000000000 0.29605842722286 72.640 > 45 46 Ge 0.40640917359041 0.87500000000000 0.29605842722286 72.640 > 45 47 Ge 0.40640917359041 0.37500000000000 0.79605842722286 72.640 > 45 48 Ge 0.40640917359041 0.87500000000000 0.79605842722286 72.640 > 45 49 S 0.05811458486730 0.37500000000000 0.38479205743080 32.065 > 49 50 S 0.05811458486730 0.87500000000000 0.38479205743080 32.065 > 49 51 S 0.05811458486730 0.37500000000000 0.88479205743080 32.065 > 49 52 S 0.05811458486730 0.87500000000000 0.88479205743080 32.065 > 49 53 S 0.44188541513270 0.12500000000000 0.13479205743080 32.065 > 53 54 S 0.44188541513270 0.62500000000000 0.13479205743080 32.065 > 53 55 S 0.44188541513270 0.12500000000000 0.63479205743080 32.065 > 53 56 S 0.44188541513270 0.62500000000000 0.63479205743080 32.065 > 53 57 S 0.94188541513270 0.12500000000000 0.11520794256920 32.065 > 57 58 S 0.94188541513270 0.62500000000000 0.11520794256920 32.065 > 57 59 S 0.94188541513270 0.12500000000000 0.61520794256920 32.065 > 57 60 S 0.94188541513270 0.62500000000000 0.61520794256920 32.065 > 57 61 S 0.55811458486730 0.37500000000000 0.36520794256920 32.065 > 61 62 S 0.55811458486730 0.87500000000000 0.36520794256920 32.065 > 61 63 S 0.55811458486730 0.37500000000000 0.86520794256920 32.065 > 61 64 S 0.55811458486730 0.87500000000000 0.86520794256920 32.065 > 61 65 S 0.90710514368741 0.37500000000000 0.12948004054193 32.065 > 65 66 S 0.90710514368741 0.87500000000000 0.12948004054193 32.065 > 65 67 S 0.90710514368741 0.37500000000000 0.62948004054193 32.065 > 65 68 S 0.90710514368741 0.87500000000000 0.62948004054193 32.065 > 65 69 S 0.59289485631259 0.12500000000000 0.37948004054193 32.065 > 69 70 S 0.59289485631259 0.62500000000000 0.37948004054193 32.065 > 69 71 S 0.59289485631259 0.12500000000000 0.87948004054193 32.065 > 69 72 S 0.59289485631259 0.62500000000000 0.87948004054193 32.065 > 69 73 S 0.09289485631259 0.12500000000000 0.37051995945807 32.065 > 73 74 S 0.09289485631259 0.62500000000000 0.37051995945807 32.065 > 73 75 S 0.09289485631259 0.12500000000000 0.87051995945807 32.065 > 73 76 S 0.09289485631259 0.62500000000000 0.87051995945807 32.065 > 73 77 S 0.40710514368741 0.37500000000000 0.12051995945807 32.065 > 77 78 S 0.40710514368741 0.87500000000000 0.12051995945807 32.065 > 77 79 S 0.40710514368741 0.37500000000000 0.62051995945807 32.065 > 77 80 S 0.40710514368741 0.87500000000000 0.62051995945807 32.065 > 77 81 S 0.83032152101080 0.48173826968025 0.37922471707362 32.065 > 81 82 S 0.83032152101080 0.98173826968025 0.37922471707362 32.065 > 81 83 S 0.83032152101080 0.48173826968025 0.87922471707362 32.065 > 81 84 S 0.83032152101080 0.98173826968025 0.87922471707362 32.065 > 81 85 S 0.66967847898920 0.01826173031975 0.12922471707362 32.065 > 85 86 S 0.66967847898920 0.51826173031975 0.12922471707362 32.065 > 85 87 S 0.66967847898920 0.01826173031975 0.62922471707362 32.065 > 85 88 S 0.66967847898920 0.51826173031975 0.62922471707362 32.065 > 85 89 S 0.16967847898920 0.23173826968025 0.12077528292638 32.065 > 89 90 S 0.16967847898920 0.73173826968025 0.12077528292638 32.065 > 89 91 S 0.16967847898920 0.23173826968025 0.62077528292638 32.065 > 89 92 S 0.16967847898920 0.73173826968025 0.62077528292638 32.065 > 89 93 S 0.33032152101080 0.26826173031975 0.37077528292638 32.065 > 93 94 S 0.33032152101080 0.76826173031975 0.37077528292638 32.065 > 93 95 S 0.33032152101080 0.26826173031975 0.87077528292638 32.065 > 93 96 S 0.33032152101080 0.76826173031975 0.87077528292638 32.065 > 93 97 S 0.16967847898920 0.01826173031975 0.12077528292638 32.065 > 97 98 S 0.16967847898920 0.51826173031975 0.12077528292638 32.065 > 97 99 S 0.16967847898920 0.01826173031975 0.62077528292638 32.065 > 97 100 S 0.16967847898920 0.51826173031975 0.62077528292638 32.065 > 97 101 S 0.33032152101080 0.48173826968025 0.37077528292638 32.065 > 101 102 S 0.33032152101080 0.98173826968025 0.37077528292638 32.065 > 101 103 S 0.33032152101080 0.48173826968025 0.87077528292638 32.065 > 101 104 S 0.33032152101080 0.98173826968025 0.87077528292638 32.065 > 101 105 S 0.83032152101080 0.26826173031975 0.37922471707362 32.065 > 105 106 S 0.83032152101080 0.76826173031975 0.37922471707362 32.065 > 105 107 S 0.83032152101080 0.26826173031975 0.87922471707362 32.065 > 105 108 S 0.83032152101080 0.76826173031975 0.87922471707362 32.065 > 105 109 S 0.66967847898920 0.23173826968025 0.12922471707362 32.065 > 109 110 S 0.66967847898920 0.73173826968025 0.12922471707362 32.065 > 109 111 S 0.66967847898920 0.23173826968025 0.62922471707362 32.065 > 109 112 S 0.66967847898920 0.73173826968025 0.62922471707362 32.065 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7522924 0.0000000 0.0000000 0.0000000 4.7005679 0.0000000 0.0000000 0.0000000 5.1964385 -------------------------- Born effective charges -------------------------- 1 Ca 1.8484304 0.7528888 0.2397596 0.5678082 2.4123062 0.4463942 -0.0757621 -0.0537173 2.6387706 2 Ca 1.8484304 0.7528888 -0.2397596 0.5678082 2.4123062 -0.4463942 0.0757621 0.0537173 2.6387706 3 Ca 1.8484304 -0.7528888 0.2397596 -0.5678082 2.4123062 -0.4463942 -0.0757621 0.0537173 2.6387706 4 Ca 1.8484304 -0.7528888 -0.2397596 -0.5678082 2.4123062 0.4463942 0.0757621 -0.0537173 2.6387706 5 Ca 2.8775651 0.0000000 0.1044773 0.0000000 2.5251432 0.0000000 -0.1779974 0.0000000 2.1733534 6 Ca 2.8775651 0.0000000 -0.1044773 0.0000000 2.5251432 0.0000000 0.1779974 0.0000000 2.1733534 7 Ca 2.8775651 0.0000000 0.1044773 0.0000000 2.5251432 0.0000000 -0.1779974 0.0000000 2.1733534 8 Ca 2.8775651 0.0000000 -0.1044773 0.0000000 2.5251432 0.0000000 0.1779974 0.0000000 2.1733534 9 Ge 2.3631654 0.0000000 -0.0024102 0.0000000 2.4770003 0.0000000 -0.0086929 0.0000000 3.2473743 10 Ge 2.3631654 0.0000000 0.0024102 0.0000000 2.4770003 0.0000000 0.0086929 0.0000000 3.2473743 11 Ge 2.3631654 0.0000000 -0.0024102 0.0000000 2.4770003 0.0000000 -0.0086929 0.0000000 3.2473743 12 Ge 2.3631654 0.0000000 0.0024102 0.0000000 2.4770003 0.0000000 0.0086929 0.0000000 3.2473743 13 S -2.3908237 0.0000000 0.1089940 0.0000000 -1.4641638 0.0000000 -0.0404980 0.0000000 -1.8105830 14 S -2.3908237 0.0000000 -0.1089940 0.0000000 -1.4641638 0.0000000 0.0404980 0.0000000 -1.8105830 15 S -2.3908237 0.0000000 0.1089940 0.0000000 -1.4641638 0.0000000 -0.0404980 0.0000000 -1.8105830 16 S -2.3908237 0.0000000 -0.1089940 0.0000000 -1.4641638 0.0000000 0.0404980 0.0000000 -1.8105830 17 S -1.4480440 0.0000000 -0.0683814 0.0000000 -1.3903048 0.0000000 -0.0626305 0.0000000 -2.8273246 18 S -1.4480440 0.0000000 0.0683814 0.0000000 -1.3903048 0.0000000 0.0626305 0.0000000 -2.8273246 19 S -1.4480440 0.0000000 -0.0683814 0.0000000 -1.3903048 0.0000000 -0.0626305 0.0000000 -2.8273246 20 S -1.4480440 0.0000000 0.0683814 0.0000000 -1.3903048 0.0000000 0.0626305 0.0000000 -2.8273246 21 S -1.6251465 0.2846755 -0.0360970 0.2953790 -2.2799905 0.0080443 0.0236360 -0.0301689 -1.7107953 22 S -1.6251465 0.2846755 0.0360970 0.2953790 -2.2799905 -0.0080443 -0.0236360 0.0301689 -1.7107953 23 S -1.6251465 -0.2846755 -0.0360970 -0.2953790 -2.2799905 -0.0080443 0.0236360 0.0301689 -1.7107953 24 S -1.6251465 -0.2846755 0.0360970 -0.2953790 -2.2799905 0.0080443 -0.0236360 -0.0301689 -1.7107953 25 S -1.6251465 0.2846755 -0.0360970 0.2953790 -2.2799905 0.0080443 0.0236360 -0.0301689 -1.7107953 26 S -1.6251465 0.2846755 0.0360970 0.2953790 -2.2799905 -0.0080443 -0.0236360 0.0301689 -1.7107953 27 S -1.6251465 -0.2846755 -0.0360970 -0.2953790 -2.2799905 -0.0080443 0.0236360 0.0301689 -1.7107953 28 S -1.6251465 -0.2846755 0.0360970 -0.2953790 -2.2799905 0.0080443 -0.0236360 -0.0301689 -1.7107953 ---------------------------------------------------------------------------- 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, 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: -0.00000002 (zxz) -0.00000002 (zxz) -0.00000002 (zzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:00:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:00:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: 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 13.563981899999998 0.000000000000000 0.000000000000000 b 0.000000000000000 8.157611030000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.264360270000000 Atomic positions (fractional): 1 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 2 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 3 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 4 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 5 Ca 0.72657824087257 0.75000000000000 0.48265667018174 40.078 6 Ca 0.77342175912743 0.25000000000000 0.98265667018174 40.078 7 Ca 0.27342175912743 0.25000000000000 0.51734332981826 40.078 8 Ca 0.22657824087257 0.75000000000000 0.01734332981826 40.078 9 Ge 0.90640917359041 0.75000000000000 0.90788314555428 72.640 10 Ge 0.59359082640959 0.25000000000000 0.40788314555428 72.640 11 Ge 0.09359082640959 0.25000000000000 0.09211685444572 72.640 12 Ge 0.40640917359041 0.75000000000000 0.59211685444572 72.640 13 S 0.05811458486730 0.75000000000000 0.76958411486160 32.065 14 S 0.44188541513270 0.25000000000000 0.26958411486160 32.065 15 S 0.94188541513270 0.25000000000000 0.23041588513840 32.065 16 S 0.55811458486730 0.75000000000000 0.73041588513840 32.065 17 S 0.90710514368741 0.75000000000000 0.25896008108386 32.065 18 S 0.59289485631259 0.25000000000000 0.75896008108386 32.065 19 S 0.09289485631259 0.25000000000000 0.74103991891614 32.065 20 S 0.40710514368741 0.75000000000000 0.24103991891614 32.065 21 S 0.83032152101080 0.96347653936049 0.75844943414723 32.065 22 S 0.66967847898920 0.03652346063951 0.25844943414723 32.065 23 S 0.16967847898920 0.46347653936049 0.24155056585277 32.065 24 S 0.33032152101080 0.53652346063951 0.74155056585277 32.065 25 S 0.16967847898920 0.03652346063951 0.24155056585277 32.065 26 S 0.33032152101080 0.96347653936049 0.74155056585277 32.065 27 S 0.83032152101080 0.53652346063951 0.75844943414723 32.065 28 S 0.66967847898920 0.46347653936049 0.25844943414723 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.563981899999998 0.000000000000000 0.000000000000000 b 0.000000000000000 16.315222060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.528720540000000 Atomic positions (fractional): 1 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 1 2 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 1 3 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 1 4 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 1 5 Ca 0.00000000000000 0.00000000000000 0.25000000000000 40.078 > 5 6 Ca 0.00000000000000 0.50000000000000 0.25000000000000 40.078 > 5 7 Ca 0.00000000000000 0.00000000000000 0.75000000000000 40.078 > 5 8 Ca 0.00000000000000 0.50000000000000 0.75000000000000 40.078 > 5 9 Ca 0.50000000000000 0.25000000000000 0.00000000000000 40.078 > 9 10 Ca 0.50000000000000 0.75000000000000 0.00000000000000 40.078 > 9 11 Ca 0.50000000000000 0.25000000000000 0.50000000000000 40.078 > 9 12 Ca 0.50000000000000 0.75000000000000 0.50000000000000 40.078 > 9 13 Ca 0.00000000000000 0.25000000000000 0.25000000000000 40.078 > 13 14 Ca 0.00000000000000 0.75000000000000 0.25000000000000 40.078 > 13 15 Ca 0.00000000000000 0.25000000000000 0.75000000000000 40.078 > 13 16 Ca 0.00000000000000 0.75000000000000 0.75000000000000 40.078 > 13 17 Ca 0.72657824087257 0.37500000000000 0.24132833509087 40.078 > 17 18 Ca 0.72657824087257 0.87500000000000 0.24132833509087 40.078 > 17 19 Ca 0.72657824087257 0.37500000000000 0.74132833509087 40.078 > 17 20 Ca 0.72657824087257 0.87500000000000 0.74132833509087 40.078 > 17 21 Ca 0.77342175912743 0.12500000000000 0.49132833509087 40.078 > 21 22 Ca 0.77342175912743 0.62500000000000 0.49132833509087 40.078 > 21 23 Ca 0.77342175912743 0.12500000000000 0.99132833509087 40.078 > 21 24 Ca 0.77342175912743 0.62500000000000 0.99132833509087 40.078 > 21 25 Ca 0.27342175912743 0.12500000000000 0.25867166490913 40.078 > 25 26 Ca 0.27342175912743 0.62500000000000 0.25867166490913 40.078 > 25 27 Ca 0.27342175912743 0.12500000000000 0.75867166490913 40.078 > 25 28 Ca 0.27342175912743 0.62500000000000 0.75867166490913 40.078 > 25 29 Ca 0.22657824087257 0.37500000000000 0.00867166490913 40.078 > 29 30 Ca 0.22657824087257 0.87500000000000 0.00867166490913 40.078 > 29 31 Ca 0.22657824087257 0.37500000000000 0.50867166490913 40.078 > 29 32 Ca 0.22657824087257 0.87500000000000 0.50867166490913 40.078 > 29 33 Ge 0.90640917359041 0.37500000000000 0.45394157277714 72.640 > 33 34 Ge 0.90640917359041 0.87500000000000 0.45394157277714 72.640 > 33 35 Ge 0.90640917359041 0.37500000000000 0.95394157277714 72.640 > 33 36 Ge 0.90640917359041 0.87500000000000 0.95394157277714 72.640 > 33 37 Ge 0.59359082640959 0.12500000000000 0.20394157277714 72.640 > 37 38 Ge 0.59359082640959 0.62500000000000 0.20394157277714 72.640 > 37 39 Ge 0.59359082640959 0.12500000000000 0.70394157277714 72.640 > 37 40 Ge 0.59359082640959 0.62500000000000 0.70394157277714 72.640 > 37 41 Ge 0.09359082640959 0.12500000000000 0.04605842722286 72.640 > 41 42 Ge 0.09359082640959 0.62500000000000 0.04605842722286 72.640 > 41 43 Ge 0.09359082640959 0.12500000000000 0.54605842722286 72.640 > 41 44 Ge 0.09359082640959 0.62500000000000 0.54605842722286 72.640 > 41 45 Ge 0.40640917359041 0.37500000000000 0.29605842722286 72.640 > 45 46 Ge 0.40640917359041 0.87500000000000 0.29605842722286 72.640 > 45 47 Ge 0.40640917359041 0.37500000000000 0.79605842722286 72.640 > 45 48 Ge 0.40640917359041 0.87500000000000 0.79605842722286 72.640 > 45 49 S 0.05811458486730 0.37500000000000 0.38479205743080 32.065 > 49 50 S 0.05811458486730 0.87500000000000 0.38479205743080 32.065 > 49 51 S 0.05811458486730 0.37500000000000 0.88479205743080 32.065 > 49 52 S 0.05811458486730 0.87500000000000 0.88479205743080 32.065 > 49 53 S 0.44188541513270 0.12500000000000 0.13479205743080 32.065 > 53 54 S 0.44188541513270 0.62500000000000 0.13479205743080 32.065 > 53 55 S 0.44188541513270 0.12500000000000 0.63479205743080 32.065 > 53 56 S 0.44188541513270 0.62500000000000 0.63479205743080 32.065 > 53 57 S 0.94188541513270 0.12500000000000 0.11520794256920 32.065 > 57 58 S 0.94188541513270 0.62500000000000 0.11520794256920 32.065 > 57 59 S 0.94188541513270 0.12500000000000 0.61520794256920 32.065 > 57 60 S 0.94188541513270 0.62500000000000 0.61520794256920 32.065 > 57 61 S 0.55811458486730 0.37500000000000 0.36520794256920 32.065 > 61 62 S 0.55811458486730 0.87500000000000 0.36520794256920 32.065 > 61 63 S 0.55811458486730 0.37500000000000 0.86520794256920 32.065 > 61 64 S 0.55811458486730 0.87500000000000 0.86520794256920 32.065 > 61 65 S 0.90710514368741 0.37500000000000 0.12948004054193 32.065 > 65 66 S 0.90710514368741 0.87500000000000 0.12948004054193 32.065 > 65 67 S 0.90710514368741 0.37500000000000 0.62948004054193 32.065 > 65 68 S 0.90710514368741 0.87500000000000 0.62948004054193 32.065 > 65 69 S 0.59289485631259 0.12500000000000 0.37948004054193 32.065 > 69 70 S 0.59289485631259 0.62500000000000 0.37948004054193 32.065 > 69 71 S 0.59289485631259 0.12500000000000 0.87948004054193 32.065 > 69 72 S 0.59289485631259 0.62500000000000 0.87948004054193 32.065 > 69 73 S 0.09289485631259 0.12500000000000 0.37051995945807 32.065 > 73 74 S 0.09289485631259 0.62500000000000 0.37051995945807 32.065 > 73 75 S 0.09289485631259 0.12500000000000 0.87051995945807 32.065 > 73 76 S 0.09289485631259 0.62500000000000 0.87051995945807 32.065 > 73 77 S 0.40710514368741 0.37500000000000 0.12051995945807 32.065 > 77 78 S 0.40710514368741 0.87500000000000 0.12051995945807 32.065 > 77 79 S 0.40710514368741 0.37500000000000 0.62051995945807 32.065 > 77 80 S 0.40710514368741 0.87500000000000 0.62051995945807 32.065 > 77 81 S 0.83032152101080 0.48173826968025 0.37922471707362 32.065 > 81 82 S 0.83032152101080 0.98173826968025 0.37922471707362 32.065 > 81 83 S 0.83032152101080 0.48173826968025 0.87922471707362 32.065 > 81 84 S 0.83032152101080 0.98173826968025 0.87922471707362 32.065 > 81 85 S 0.66967847898920 0.01826173031975 0.12922471707362 32.065 > 85 86 S 0.66967847898920 0.51826173031975 0.12922471707362 32.065 > 85 87 S 0.66967847898920 0.01826173031975 0.62922471707362 32.065 > 85 88 S 0.66967847898920 0.51826173031975 0.62922471707362 32.065 > 85 89 S 0.16967847898920 0.23173826968025 0.12077528292638 32.065 > 89 90 S 0.16967847898920 0.73173826968025 0.12077528292638 32.065 > 89 91 S 0.16967847898920 0.23173826968025 0.62077528292638 32.065 > 89 92 S 0.16967847898920 0.73173826968025 0.62077528292638 32.065 > 89 93 S 0.33032152101080 0.26826173031975 0.37077528292638 32.065 > 93 94 S 0.33032152101080 0.76826173031975 0.37077528292638 32.065 > 93 95 S 0.33032152101080 0.26826173031975 0.87077528292638 32.065 > 93 96 S 0.33032152101080 0.76826173031975 0.87077528292638 32.065 > 93 97 S 0.16967847898920 0.01826173031975 0.12077528292638 32.065 > 97 98 S 0.16967847898920 0.51826173031975 0.12077528292638 32.065 > 97 99 S 0.16967847898920 0.01826173031975 0.62077528292638 32.065 > 97 100 S 0.16967847898920 0.51826173031975 0.62077528292638 32.065 > 97 101 S 0.33032152101080 0.48173826968025 0.37077528292638 32.065 > 101 102 S 0.33032152101080 0.98173826968025 0.37077528292638 32.065 > 101 103 S 0.33032152101080 0.48173826968025 0.87077528292638 32.065 > 101 104 S 0.33032152101080 0.98173826968025 0.87077528292638 32.065 > 101 105 S 0.83032152101080 0.26826173031975 0.37922471707362 32.065 > 105 106 S 0.83032152101080 0.76826173031975 0.37922471707362 32.065 > 105 107 S 0.83032152101080 0.26826173031975 0.87922471707362 32.065 > 105 108 S 0.83032152101080 0.76826173031975 0.87922471707362 32.065 > 105 109 S 0.66967847898920 0.23173826968025 0.12922471707362 32.065 > 109 110 S 0.66967847898920 0.73173826968025 0.12922471707362 32.065 > 109 111 S 0.66967847898920 0.23173826968025 0.62922471707362 32.065 > 109 112 S 0.66967847898920 0.73173826968025 0.62922471707362 32.065 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.7522924 0.0000000 0.0000000 0.0000000 4.7005679 0.0000000 0.0000000 0.0000000 5.1964385 -------------------------- Born effective charges -------------------------- 1 Ca 1.8484304 0.7528888 0.2397596 0.5678082 2.4123062 0.4463942 -0.0757621 -0.0537173 2.6387706 2 Ca 1.8484304 0.7528888 -0.2397596 0.5678082 2.4123062 -0.4463942 0.0757621 0.0537173 2.6387706 3 Ca 1.8484304 -0.7528888 0.2397596 -0.5678082 2.4123062 -0.4463942 -0.0757621 0.0537173 2.6387706 4 Ca 1.8484304 -0.7528888 -0.2397596 -0.5678082 2.4123062 0.4463942 0.0757621 -0.0537173 2.6387706 5 Ca 2.8775651 0.0000000 0.1044773 0.0000000 2.5251432 0.0000000 -0.1779974 0.0000000 2.1733534 6 Ca 2.8775651 0.0000000 -0.1044773 0.0000000 2.5251432 0.0000000 0.1779974 0.0000000 2.1733534 7 Ca 2.8775651 0.0000000 0.1044773 0.0000000 2.5251432 0.0000000 -0.1779974 0.0000000 2.1733534 8 Ca 2.8775651 0.0000000 -0.1044773 0.0000000 2.5251432 0.0000000 0.1779974 0.0000000 2.1733534 9 Ge 2.3631654 0.0000000 -0.0024102 0.0000000 2.4770003 0.0000000 -0.0086929 0.0000000 3.2473743 10 Ge 2.3631654 0.0000000 0.0024102 0.0000000 2.4770003 0.0000000 0.0086929 0.0000000 3.2473743 11 Ge 2.3631654 0.0000000 -0.0024102 0.0000000 2.4770003 0.0000000 -0.0086929 0.0000000 3.2473743 12 Ge 2.3631654 0.0000000 0.0024102 0.0000000 2.4770003 0.0000000 0.0086929 0.0000000 3.2473743 13 S -2.3908237 0.0000000 0.1089940 0.0000000 -1.4641638 0.0000000 -0.0404980 0.0000000 -1.8105830 14 S -2.3908237 0.0000000 -0.1089940 0.0000000 -1.4641638 0.0000000 0.0404980 0.0000000 -1.8105830 15 S -2.3908237 0.0000000 0.1089940 0.0000000 -1.4641638 0.0000000 -0.0404980 0.0000000 -1.8105830 16 S -2.3908237 0.0000000 -0.1089940 0.0000000 -1.4641638 0.0000000 0.0404980 0.0000000 -1.8105830 17 S -1.4480440 0.0000000 -0.0683814 0.0000000 -1.3903048 0.0000000 -0.0626305 0.0000000 -2.8273246 18 S -1.4480440 0.0000000 0.0683814 0.0000000 -1.3903048 0.0000000 0.0626305 0.0000000 -2.8273246 19 S -1.4480440 0.0000000 -0.0683814 0.0000000 -1.3903048 0.0000000 -0.0626305 0.0000000 -2.8273246 20 S -1.4480440 0.0000000 0.0683814 0.0000000 -1.3903048 0.0000000 0.0626305 0.0000000 -2.8273246 21 S -1.6251465 0.2846755 -0.0360970 0.2953790 -2.2799905 0.0080443 0.0236360 -0.0301689 -1.7107953 22 S -1.6251465 0.2846755 0.0360970 0.2953790 -2.2799905 -0.0080443 -0.0236360 0.0301689 -1.7107953 23 S -1.6251465 -0.2846755 -0.0360970 -0.2953790 -2.2799905 -0.0080443 0.0236360 0.0301689 -1.7107953 24 S -1.6251465 -0.2846755 0.0360970 -0.2953790 -2.2799905 0.0080443 -0.0236360 -0.0301689 -1.7107953 25 S -1.6251465 0.2846755 -0.0360970 0.2953790 -2.2799905 0.0080443 0.0236360 -0.0301689 -1.7107953 26 S -1.6251465 0.2846755 0.0360970 0.2953790 -2.2799905 -0.0080443 -0.0236360 0.0301689 -1.7107953 27 S -1.6251465 -0.2846755 -0.0360970 -0.2953790 -2.2799905 -0.0080443 0.0236360 0.0301689 -1.7107953 28 S -1.6251465 -0.2846755 0.0360970 -0.2953790 -2.2799905 0.0080443 -0.0236360 -0.0301689 -1.7107953 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (zxz) -0.00000002 (zxz) -0.00000002 (zzx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 6 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.47, Number of G-points: 287, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 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 1.120 ( 0.000 0.000 0.000) 0.000 1.784 ( 0.000 0.000 0.000) 0.000 1.788 ( 0.000 0.000 0.000) 0.000 1.804 ( 0.000 0.000 0.000) 0.000 1.841 ( 0.000 0.000 0.000) 0.000 2.234 ( 0.000 0.000 0.000) 0.000 2.431 ( 0.000 0.000 0.000) 0.000 2.483 ( 0.000 0.000 0.000) 0.000 2.586 ( 0.000 0.000 0.000) 0.000 2.653 ( 0.000 0.000 0.000) 0.000 2.868 ( 0.000 0.000 0.000) 0.000 2.895 ( 0.000 0.000 0.000) 0.000 2.969 ( 0.000 0.000 0.000) 0.000 3.045 ( 0.000 0.000 0.000) 0.000 3.187 ( 0.000 0.000 0.000) 0.000 3.493 ( 0.000 0.000 0.000) 0.000 3.580 ( 0.000 0.000 0.000) 0.000 3.594 ( 0.000 0.000 0.000) 0.000 3.723 ( 0.000 0.000 0.000) 0.000 3.773 ( 0.000 0.000 0.000) 0.000 3.935 ( 0.000 0.000 0.000) 0.000 4.118 ( 0.000 0.000 0.000) 0.000 4.198 ( 0.000 0.000 0.000) 0.000 4.210 ( 0.000 0.000 0.000) 0.000 4.686 ( 0.000 0.000 0.000) 0.000 4.712 ( 0.000 0.000 0.000) 0.000 4.793 ( 0.000 0.000 0.000) 0.000 5.037 ( 0.000 0.000 0.000) 0.000 5.110 ( 0.000 0.000 0.000) 0.000 5.316 ( 0.000 0.000 0.000) 0.000 5.330 ( 0.000 0.000 0.000) 0.000 5.417 ( 0.000 0.000 0.000) 0.000 5.477 ( 0.000 0.000 0.000) 0.000 5.544 ( 0.000 0.000 0.000) 0.000 5.791 ( 0.000 0.000 0.000) 0.000 5.938 ( 0.000 0.000 0.000) 0.000 5.976 ( 0.000 0.000 0.000) 0.000 6.063 ( 0.000 0.000 0.000) 0.000 6.169 ( 0.000 0.000 0.000) 0.000 6.181 ( 0.000 0.000 0.000) 0.000 6.181 ( 0.000 0.000 0.000) 0.000 6.374 ( 0.000 0.000 0.000) 0.000 6.441 ( 0.000 0.000 0.000) 0.000 6.466 ( 0.000 0.000 0.000) 0.000 6.578 ( 0.000 0.000 0.000) 0.000 6.595 ( 0.000 0.000 0.000) 0.000 6.733 ( 0.000 0.000 0.000) 0.000 6.760 ( 0.000 0.000 0.000) 0.000 6.775 ( 0.000 0.000 0.000) 0.000 7.048 ( 0.000 0.000 0.000) 0.000 7.058 ( 0.000 0.000 0.000) 0.000 7.075 ( 0.000 0.000 0.000) 0.000 7.197 ( 0.000 0.000 0.000) 0.000 7.239 ( 0.000 0.000 0.000) 0.000 7.459 ( 0.000 0.000 0.000) 0.000 7.505 ( 0.000 0.000 0.000) 0.000 7.512 ( 0.000 0.000 0.000) 0.000 7.594 ( 0.000 0.000 0.000) 0.000 7.622 ( 0.000 0.000 0.000) 0.000 7.659 ( 0.000 0.000 0.000) 0.000 7.663 ( 0.000 0.000 0.000) 0.000 8.020 ( 0.000 0.000 0.000) 0.000 8.130 ( 0.000 0.000 0.000) 0.000 8.339 ( 0.000 0.000 0.000) 0.000 8.380 ( 0.000 0.000 0.000) 0.000 10.760 ( 0.000 0.000 0.000) 0.000 10.771 ( 0.000 0.000 0.000) 0.000 10.772 ( 0.000 0.000 0.000) 0.000 10.788 ( 0.000 0.000 0.000) 0.000 10.842 ( 0.000 0.000 0.000) 0.000 10.852 ( 0.000 0.000 0.000) 0.000 10.857 ( 0.000 0.000 0.000) 0.000 10.902 ( 0.000 0.000 0.000) 0.000 11.038 ( 0.000 0.000 0.000) 0.000 11.096 ( 0.000 0.000 0.000) 0.000 11.276 ( 0.000 0.000 0.000) 0.000 11.771 ( 0.000 0.000 0.000) 0.000 11.839 ( 0.000 0.000 0.000) 0.000 11.859 ( 0.000 0.000 0.000) 0.000 11.983 ( 0.000 0.000 0.000) 0.000 12.013 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 23.505 0.000 0.000) 23.505 0.516 ( 27.667 0.000 0.000) 27.667 0.769 ( 40.342 0.000 0.000) 40.342 1.090 ( -6.138 0.000 0.000) 6.138 1.514 ( -23.205 0.000 0.000) 23.205 1.618 ( -3.021 0.000 0.000) 3.021 1.796 ( -4.779 0.000 0.000) 4.779 2.036 ( 13.893 0.000 0.000) 13.893 2.142 ( -28.108 0.000 0.000) 28.108 2.386 ( 3.659 0.000 0.000) 3.659 2.478 ( -5.633 0.000 0.000) 5.633 2.529 ( -11.190 0.000 0.000) 11.190 2.614 ( 17.681 0.000 0.000) 17.681 2.902 ( 2.323 0.000 0.000) 2.323 2.962 ( -0.833 0.000 0.000) 0.833 3.016 ( 10.199 0.000 0.000) 10.199 3.204 ( 7.943 0.000 0.000) 7.943 3.231 ( 4.268 0.000 0.000) 4.268 3.469 ( -8.486 0.000 0.000) 8.486 3.476 ( -4.813 0.000 0.000) 4.813 3.555 ( -5.261 0.000 0.000) 5.261 3.656 ( -6.320 0.000 0.000) 6.320 3.780 ( -0.802 0.000 0.000) 0.802 3.928 ( 11.662 0.000 0.000) 11.662 4.212 ( -3.952 0.000 0.000) 3.952 4.214 ( -0.584 0.000 0.000) 0.584 4.314 ( 10.278 0.000 0.000) 10.278 4.464 ( -12.919 0.000 0.000) 12.919 4.652 ( -3.278 0.000 0.000) 3.278 4.681 ( -8.345 0.000 0.000) 8.345 5.063 ( 2.403 0.000 0.000) 2.403 5.217 ( -6.108 0.000 0.000) 6.108 5.234 ( 6.579 0.000 0.000) 6.579 5.531 ( -4.876 0.000 0.000) 4.876 5.532 ( 18.579 0.000 0.000) 18.579 5.551 ( 9.757 0.000 0.000) 9.757 5.620 ( 12.715 0.000 0.000) 12.715 5.695 ( -1.607 0.000 0.000) 1.607 5.935 ( -9.305 0.000 0.000) 9.305 6.007 ( -6.213 0.000 0.000) 6.213 6.011 ( -0.694 0.000 0.000) 0.694 6.098 ( -8.595 0.000 0.000) 8.595 6.180 ( 0.743 0.000 0.000) 0.743 6.290 ( 7.085 0.000 0.000) 7.085 6.336 ( -11.054 0.000 0.000) 11.054 6.430 ( -1.120 0.000 0.000) 1.120 6.475 ( 1.120 0.000 0.000) 1.120 6.622 ( -6.320 0.000 0.000) 6.320 6.667 ( 6.638 0.000 0.000) 6.638 6.779 ( -0.083 0.000 0.000) 0.083 6.827 ( 9.230 0.000 0.000) 9.230 6.905 ( 7.954 0.000 0.000) 7.954 6.977 ( -5.599 0.000 0.000) 5.599 7.066 ( 0.830 0.000 0.000) 0.830 7.069 ( -0.753 0.000 0.000) 0.753 7.164 ( -3.409 0.000 0.000) 3.409 7.376 ( -3.515 0.000 0.000) 3.515 7.444 ( -4.277 0.000 0.000) 4.277 7.501 ( 1.707 0.000 0.000) 1.707 7.556 ( -2.346 0.000 0.000) 2.346 7.660 ( 0.055 0.000 0.000) 0.055 7.663 ( -0.068 0.000 0.000) 0.068 7.748 ( 8.852 0.000 0.000) 8.852 7.990 ( -3.327 0.000 0.000) 3.327 8.160 ( 2.952 0.000 0.000) 2.952 8.283 ( -2.479 0.000 0.000) 2.479 8.360 ( 2.128 0.000 0.000) 2.128 8.461 ( -2.181 0.000 0.000) 2.181 10.773 ( 0.187 0.000 0.000) 0.187 10.774 ( 1.400 0.000 0.000) 1.400 10.785 ( -0.321 0.000 0.000) 0.321 10.794 ( 0.777 0.000 0.000) 0.777 10.832 ( -1.032 0.000 0.000) 1.032 10.840 ( -1.249 0.000 0.000) 1.249 10.864 ( 0.703 0.000 0.000) 0.703 10.896 ( -0.673 0.000 0.000) 0.673 11.047 ( 0.932 0.000 0.000) 0.932 11.088 ( -0.816 0.000 0.000) 0.816 11.774 ( 0.311 0.000 0.000) 0.311 11.797 ( -0.860 0.000 0.000) 0.860 11.878 ( 1.692 0.000 0.000) 1.692 11.952 ( -2.117 0.000 0.000) 2.117 12.053 ( 2.953 0.000 0.000) 2.953 12.154 ( -1.848 0.000 0.000) 1.848 ======================= Grid point 2 (3/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -18.801 0.000 0.000) 18.801 0.846 ( 18.801 0.000 0.000) 18.801 1.009 ( -24.642 0.000 0.000) 24.642 1.009 ( 24.642 0.000 0.000) 24.642 1.532 ( -35.451 0.000 0.000) 35.451 1.532 ( 35.451 0.000 0.000) 35.451 1.679 ( -6.957 0.000 0.000) 6.957 1.679 ( 6.957 0.000 0.000) 6.957 2.292 ( -13.767 0.000 0.000) 13.767 2.292 ( 13.767 0.000 0.000) 13.767 2.414 ( -1.650 0.000 0.000) 1.650 2.414 ( 1.650 0.000 0.000) 1.650 2.939 ( -1.662 0.000 0.000) 1.662 2.939 ( 1.662 0.000 0.000) 1.662 2.974 ( -17.048 0.000 0.000) 17.048 2.974 ( 17.048 0.000 0.000) 17.048 3.330 ( -6.454 0.000 0.000) 6.454 3.330 ( 6.454 0.000 0.000) 6.454 3.332 ( -10.069 0.000 0.000) 10.069 3.332 ( 10.069 0.000 0.000) 10.069 3.545 ( -4.746 0.000 0.000) 4.746 3.545 ( 4.746 0.000 0.000) 4.746 3.957 ( -16.084 0.000 0.000) 16.084 3.957 ( 16.084 0.000 0.000) 16.084 4.131 ( -8.933 0.000 0.000) 8.933 4.131 ( 8.933 0.000 0.000) 8.933 4.410 ( -0.557 0.000 0.000) 0.557 4.410 ( 0.557 0.000 0.000) 0.557 4.601 ( -0.536 0.000 0.000) 0.536 4.601 ( 0.536 0.000 0.000) 0.536 5.123 ( -4.105 0.000 0.000) 4.105 5.123 ( 4.105 0.000 0.000) 4.105 5.372 ( -8.977 0.000 0.000) 8.977 5.372 ( 8.977 0.000 0.000) 8.977 5.733 ( -8.840 0.000 0.000) 8.840 5.733 ( 8.840 0.000 0.000) 8.840 5.784 ( -2.920 0.000 0.000) 2.920 5.784 ( 2.920 0.000 0.000) 2.920 5.893 ( -12.106 0.000 0.000) 12.106 5.893 ( 12.106 0.000 0.000) 12.106 5.903 ( -6.170 0.000 0.000) 6.170 5.903 ( 6.170 0.000 0.000) 6.170 6.210 ( -3.331 0.000 0.000) 3.331 6.210 ( 3.331 0.000 0.000) 3.331 6.392 ( -3.557 0.000 0.000) 3.557 6.392 ( 3.557 0.000 0.000) 3.557 6.521 ( -4.230 0.000 0.000) 4.230 6.521 ( 4.230 0.000 0.000) 4.230 6.761 ( -2.216 0.000 0.000) 2.216 6.761 ( 2.216 0.000 0.000) 2.216 6.917 ( -1.273 0.000 0.000) 1.273 6.917 ( 1.273 0.000 0.000) 1.273 7.030 ( -4.582 0.000 0.000) 4.582 7.030 ( 4.582 0.000 0.000) 4.582 7.094 ( -2.820 0.000 0.000) 2.820 7.094 ( 2.820 0.000 0.000) 2.820 7.367 ( -2.971 0.000 0.000) 2.971 7.367 ( 2.971 0.000 0.000) 2.971 7.524 ( -1.164 0.000 0.000) 1.164 7.524 ( 1.164 0.000 0.000) 1.164 7.661 ( -0.081 0.000 0.000) 0.081 7.661 ( 0.081 0.000 0.000) 0.081 7.897 ( -6.748 0.000 0.000) 6.748 7.897 ( 6.748 0.000 0.000) 6.748 8.224 ( -3.647 0.000 0.000) 3.647 8.224 ( 3.647 0.000 0.000) 3.647 8.410 ( -3.080 0.000 0.000) 3.080 8.410 ( 3.080 0.000 0.000) 3.080 10.778 ( -0.347 0.000 0.000) 0.347 10.778 ( 0.347 0.000 0.000) 0.347 10.805 ( -1.824 0.000 0.000) 1.824 10.805 ( 1.824 0.000 0.000) 1.824 10.814 ( -1.311 0.000 0.000) 1.311 10.814 ( 1.311 0.000 0.000) 1.311 10.880 ( -0.979 0.000 0.000) 0.979 10.880 ( 0.979 0.000 0.000) 0.979 11.068 ( -1.223 0.000 0.000) 1.223 11.068 ( 1.223 0.000 0.000) 1.223 11.783 ( -0.643 0.000 0.000) 0.643 11.783 ( 0.643 0.000 0.000) 0.643 11.913 ( -2.071 0.000 0.000) 2.071 11.913 ( 2.071 0.000 0.000) 2.071 12.109 ( -2.951 0.000 0.000) 2.951 12.109 ( 2.951 0.000 0.000) 2.951 ======================= Grid point 5 (4/60) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( 0.000 23.108 0.000) 23.108 0.551 ( 0.000 27.567 0.000) 27.567 0.997 ( 0.000 46.855 0.000) 46.855 1.294 ( 0.000 15.209 0.000) 15.209 1.734 ( 0.000 -3.516 0.000) 3.516 1.804 ( 0.000 0.501 0.000) 0.501 1.823 ( 0.000 1.301 0.000) 1.301 1.909 ( 0.000 -0.934 0.000) 0.934 2.225 ( 0.000 2.828 0.000) 2.828 2.382 ( 0.000 -4.297 0.000) 4.297 2.566 ( 0.000 -9.450 0.000) 9.450 2.580 ( 0.000 8.526 0.000) 8.526 2.813 ( 0.000 -1.229 0.000) 1.229 2.833 ( 0.000 0.358 0.000) 0.358 2.882 ( 0.000 0.575 0.000) 0.575 2.897 ( 0.000 15.122 0.000) 15.122 3.187 ( 0.000 7.345 0.000) 7.345 3.221 ( 0.000 0.020 0.000) 0.020 3.389 ( 0.000 -9.253 0.000) 9.253 3.488 ( 0.000 -7.220 0.000) 7.220 3.613 ( 0.000 1.410 0.000) 1.410 3.665 ( 0.000 -5.354 0.000) 5.354 3.882 ( 0.000 8.720 0.000) 8.720 4.025 ( 0.000 8.232 0.000) 8.232 4.207 ( 0.000 8.851 0.000) 8.851 4.222 ( 0.000 0.684 0.000) 0.684 4.240 ( 0.000 0.792 0.000) 0.792 4.731 ( 0.000 6.457 0.000) 6.457 4.811 ( 0.000 10.747 0.000) 10.747 4.865 ( 0.000 -10.610 0.000) 10.610 4.969 ( 0.000 11.596 0.000) 11.596 5.217 ( 0.000 1.766 0.000) 1.766 5.258 ( 0.000 -5.639 0.000) 5.639 5.322 ( 0.000 -0.374 0.000) 0.374 5.323 ( 0.000 -8.983 0.000) 8.983 5.383 ( 0.000 -4.431 0.000) 4.431 5.440 ( 0.000 -9.396 0.000) 9.396 5.753 ( 0.000 -4.031 0.000) 4.031 5.808 ( 0.000 -10.122 0.000) 10.122 5.982 ( 0.000 -4.016 0.000) 4.016 6.089 ( 0.000 -3.164 0.000) 3.164 6.110 ( 0.000 0.863 0.000) 0.863 6.146 ( 0.000 -2.159 0.000) 2.159 6.309 ( 0.000 10.328 0.000) 10.328 6.337 ( 0.000 -3.381 0.000) 3.381 6.379 ( 0.000 -8.389 0.000) 8.389 6.471 ( 0.000 -0.364 0.000) 0.364 6.553 ( 0.000 -13.052 0.000) 13.052 6.622 ( 0.000 4.538 0.000) 4.538 6.688 ( 0.000 6.220 0.000) 6.220 6.764 ( 0.000 1.378 0.000) 1.378 6.801 ( 0.000 -2.900 0.000) 2.900 6.996 ( 0.000 -7.911 0.000) 7.911 7.009 ( 0.000 -4.171 0.000) 4.171 7.231 ( 0.000 -1.282 0.000) 1.282 7.268 ( 0.000 13.011 0.000) 13.011 7.274 ( 0.000 -5.872 0.000) 5.872 7.426 ( 0.000 -5.543 0.000) 5.543 7.445 ( 0.000 -1.478 0.000) 1.478 7.460 ( 0.000 -4.338 0.000) 4.338 7.608 ( 0.000 1.191 0.000) 1.191 7.671 ( 0.000 9.890 0.000) 9.890 7.848 ( 0.000 5.108 0.000) 5.108 8.018 ( 0.000 -0.357 0.000) 0.357 8.149 ( 0.000 2.662 0.000) 2.662 8.331 ( 0.000 -0.683 0.000) 0.683 8.396 ( 0.000 1.554 0.000) 1.554 8.589 ( 0.000 -1.115 0.000) 1.115 10.765 ( 0.000 -0.407 0.000) 0.407 10.765 ( 0.000 0.467 0.000) 0.467 10.782 ( 0.000 0.753 0.000) 0.753 10.831 ( 0.000 -1.709 0.000) 1.709 10.848 ( 0.000 0.621 0.000) 0.621 10.860 ( 0.000 0.353 0.000) 0.353 10.890 ( 0.000 -0.308 0.000) 0.308 11.023 ( 0.000 -1.588 0.000) 1.588 11.204 ( 0.000 8.936 0.000) 8.936 11.331 ( 0.000 5.182 0.000) 5.182 11.779 ( 0.000 0.715 0.000) 0.715 11.830 ( 0.000 -2.786 0.000) 2.786 11.841 ( 0.000 0.167 0.000) 0.167 11.917 ( 0.000 -0.766 0.000) 0.766 11.965 ( 0.000 -1.708 0.000) 1.708 11.966 ( 0.000 -4.368 0.000) 4.368 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( 11.386 15.563 0.000) 19.283 0.751 ( 18.244 19.815 0.000) 26.935 1.198 ( -12.194 8.651 0.000) 14.951 1.301 ( 24.994 35.978 0.000) 43.808 1.562 ( -19.777 4.787 0.000) 20.348 1.625 ( -1.049 2.023 0.000) 2.278 1.864 ( -4.689 0.415 0.000) 4.707 1.980 ( 7.012 -3.092 0.000) 7.663 2.264 ( -1.329 -0.356 0.000) 1.375 2.424 ( -20.090 20.579 0.000) 28.759 2.503 ( 12.694 -8.349 0.000) 15.194 2.519 ( 0.707 0.647 0.000) 0.959 2.767 ( 3.414 -10.601 0.000) 11.137 2.777 ( -7.120 13.998 0.000) 15.705 2.936 ( 2.193 3.644 0.000) 4.253 2.970 ( 7.445 -7.731 0.000) 10.732 3.190 ( -3.483 4.530 0.000) 5.714 3.223 ( 1.475 -1.307 0.000) 1.971 3.399 ( -0.696 -7.141 0.000) 7.174 3.485 ( -1.002 -4.201 0.000) 4.318 3.553 ( -2.919 1.211 0.000) 3.160 3.597 ( -5.757 -4.371 0.000) 7.229 3.901 ( -2.813 12.710 0.000) 13.018 4.026 ( 10.795 7.255 0.000) 13.006 4.174 ( -3.621 -2.827 0.000) 4.594 4.286 ( -0.057 6.436 0.000) 6.436 4.370 ( 9.553 5.915 0.000) 11.236 4.545 ( -9.795 6.816 0.000) 11.933 4.776 ( -3.109 10.363 0.000) 10.820 4.840 ( -8.652 12.328 0.000) 15.061 4.979 ( 6.385 -6.592 0.000) 9.178 5.156 ( -1.264 -7.143 0.000) 7.254 5.162 ( -5.798 -5.483 0.000) 7.980 5.335 ( -3.041 -12.210 0.000) 12.583 5.530 ( 13.714 -6.120 0.000) 15.018 5.541 ( 9.205 -6.848 0.000) 11.473 5.554 ( 16.042 1.594 0.000) 16.122 5.674 ( -3.485 -3.994 0.000) 5.301 5.823 ( -2.961 -11.318 0.000) 11.699 5.941 ( -4.435 -4.146 0.000) 6.071 5.982 ( -8.474 2.903 0.000) 8.958 6.069 ( -3.863 -0.418 0.000) 3.886 6.207 ( 0.687 0.824 0.000) 1.073 6.260 ( -4.407 -4.088 0.000) 6.011 6.399 ( 6.670 5.914 0.000) 8.914 6.422 ( 0.813 -10.051 0.000) 10.084 6.526 ( 1.786 -2.547 0.000) 3.111 6.531 ( 0.495 -2.732 0.000) 2.777 6.650 ( -1.450 4.381 0.000) 4.615 6.671 ( 2.449 0.185 0.000) 2.456 6.815 ( 2.622 -7.072 0.000) 7.542 6.830 ( 5.995 -3.836 0.000) 7.117 6.999 ( 0.517 -2.154 0.000) 2.216 7.022 ( 1.217 -2.993 0.000) 3.231 7.149 ( -3.549 -0.419 0.000) 3.574 7.171 ( -6.985 8.763 0.000) 11.206 7.375 ( 3.282 -7.231 0.000) 7.941 7.421 ( -1.318 -1.740 0.000) 2.183 7.434 ( 0.419 -1.582 0.000) 1.636 7.506 ( 3.365 -3.613 0.000) 4.937 7.563 ( -3.864 0.025 0.000) 3.864 7.633 ( -3.267 7.316 0.000) 8.012 7.888 ( 3.689 3.712 0.000) 5.234 8.005 ( -1.574 -0.346 0.000) 1.612 8.195 ( 4.456 3.641 0.000) 5.754 8.354 ( 2.398 -0.453 0.000) 2.440 8.365 ( -3.140 2.969 0.000) 4.322 8.513 ( -5.766 1.914 0.000) 6.075 10.773 ( 1.019 -0.360 0.000) 1.080 10.781 ( 1.311 0.161 0.000) 1.321 10.788 ( 0.744 0.917 0.000) 1.181 10.823 ( -0.923 -1.354 0.000) 1.639 10.840 ( -0.764 0.877 0.000) 1.163 10.862 ( -0.001 0.391 0.000) 0.391 10.887 ( -0.304 -0.153 0.000) 0.340 10.938 ( -6.815 2.810 0.000) 7.372 11.197 ( -0.688 9.138 0.000) 9.164 11.204 ( -3.886 12.963 0.000) 13.533 11.782 ( 0.289 0.707 0.000) 0.764 11.808 ( -1.294 0.889 0.000) 1.570 11.855 ( 1.848 -2.370 0.000) 3.005 11.928 ( -1.993 -2.489 0.000) 3.189 12.007 ( 2.292 -3.976 0.000) 4.590 12.029 ( 3.807 -7.400 0.000) 8.322 ======================= Grid point 7 (6/60) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -19.340 4.585 0.000) 19.876 0.846 ( 19.340 4.585 0.000) 19.876 1.163 ( -20.935 12.207 0.000) 24.234 1.163 ( 20.935 12.207 0.000) 24.234 1.668 ( -1.320 8.564 0.000) 8.665 1.668 ( 1.320 8.564 0.000) 8.665 1.873 ( -15.882 11.718 0.000) 19.737 1.873 ( 15.882 11.718 0.000) 19.737 2.217 ( -1.361 4.591 0.000) 4.788 2.217 ( 1.361 4.591 0.000) 4.788 2.594 ( -5.489 4.135 0.000) 6.872 2.594 ( 5.489 4.135 0.000) 6.872 2.753 ( -5.045 -5.331 0.000) 7.340 2.753 ( 5.045 -5.331 0.000) 7.340 3.007 ( -5.724 -2.910 0.000) 6.421 3.007 ( 5.724 -2.910 0.000) 6.421 3.192 ( -6.724 -1.205 0.000) 6.832 3.192 ( 6.724 -1.205 0.000) 6.832 3.412 ( -4.832 -3.413 0.000) 5.916 3.412 ( 4.832 -3.413 0.000) 5.916 3.531 ( -0.989 -0.420 0.000) 1.074 3.531 ( 0.989 -0.420 0.000) 1.074 4.013 ( -11.678 7.554 0.000) 13.909 4.013 ( 11.678 7.554 0.000) 13.909 4.205 ( -7.537 5.571 0.000) 9.373 4.205 ( 7.537 5.571 0.000) 9.373 4.475 ( -2.012 6.144 0.000) 6.465 4.475 ( 2.012 6.144 0.000) 6.465 4.743 ( -1.016 11.428 0.000) 11.473 4.743 ( 1.016 11.428 0.000) 11.473 5.073 ( -4.144 -4.587 0.000) 6.182 5.073 ( 4.144 -4.587 0.000) 6.182 5.219 ( -7.164 -12.351 0.000) 14.279 5.219 ( 7.164 -12.351 0.000) 14.279 5.683 ( -1.034 -10.708 0.000) 10.757 5.683 ( 1.034 -10.708 0.000) 10.757 5.712 ( -6.317 -6.087 0.000) 8.772 5.712 ( 6.317 -6.087 0.000) 8.772 5.850 ( -5.073 -1.239 0.000) 5.222 5.850 ( 5.073 -1.239 0.000) 5.222 5.888 ( -10.618 2.984 0.000) 11.030 5.888 ( 10.618 2.984 0.000) 11.030 6.203 ( -1.389 -0.947 0.000) 1.681 6.203 ( 1.389 -0.947 0.000) 1.681 6.492 ( -2.801 1.499 0.000) 3.177 6.492 ( 2.801 1.499 0.000) 3.177 6.521 ( -4.450 0.415 0.000) 4.469 6.521 ( 4.450 0.415 0.000) 4.469 6.640 ( -3.518 -4.648 0.000) 5.829 6.640 ( 3.518 -4.648 0.000) 5.829 6.891 ( -1.214 -7.347 0.000) 7.446 6.891 ( 1.214 -7.347 0.000) 7.446 7.023 ( -1.770 3.041 0.000) 3.519 7.023 ( 1.770 3.041 0.000) 3.519 7.105 ( -0.751 0.398 0.000) 0.850 7.105 ( 0.751 0.398 0.000) 0.850 7.389 ( -1.222 -0.760 0.000) 1.439 7.389 ( 1.222 -0.760 0.000) 1.439 7.485 ( -3.488 -4.723 0.000) 5.872 7.485 ( 3.488 -4.723 0.000) 5.872 7.572 ( -3.165 2.128 0.000) 3.814 7.572 ( 3.165 2.128 0.000) 3.814 7.958 ( -3.409 1.064 0.000) 3.571 7.958 ( 3.409 1.064 0.000) 3.571 8.288 ( -5.028 4.511 0.000) 6.755 8.288 ( 5.028 4.511 0.000) 6.755 8.417 ( -4.421 0.600 0.000) 4.461 8.417 ( 4.421 0.600 0.000) 4.461 10.796 ( -1.023 -0.704 0.000) 1.242 10.796 ( 1.023 -0.704 0.000) 1.242 10.804 ( -0.834 0.105 0.000) 0.840 10.804 ( 0.834 0.105 0.000) 0.840 10.837 ( -1.566 2.640 0.000) 3.070 10.837 ( 1.566 2.640 0.000) 3.070 10.882 ( -0.008 0.598 0.000) 0.598 10.882 ( 0.008 0.598 0.000) 0.598 11.185 ( -0.398 10.084 0.000) 10.092 11.185 ( 0.398 10.084 0.000) 10.092 11.791 ( -0.663 0.706 0.000) 0.969 11.791 ( 0.663 0.706 0.000) 0.969 11.891 ( -1.999 -2.254 0.000) 3.013 11.891 ( 1.999 -2.254 0.000) 3.013 12.043 ( -1.247 -5.481 0.000) 5.621 12.043 ( 1.247 -5.481 0.000) 5.621 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 0.000 21.777 0.000) 21.777 1.117 ( 0.000 27.312 0.000) 27.312 1.633 ( 0.000 10.832 0.000) 10.832 1.716 ( 0.000 -14.902 0.000) 14.902 1.716 ( 0.000 7.714 0.000) 7.714 1.808 ( 0.000 -2.215 0.000) 2.215 1.850 ( 0.000 4.370 0.000) 4.370 1.857 ( 0.000 33.687 0.000) 33.687 2.206 ( 0.000 -21.158 0.000) 21.158 2.224 ( 0.000 -3.196 0.000) 3.196 2.439 ( 0.000 -14.990 0.000) 14.990 2.513 ( 0.000 15.673 0.000) 15.673 2.837 ( 0.000 -6.536 0.000) 6.536 2.923 ( 0.000 7.669 0.000) 7.669 3.114 ( 0.000 10.982 0.000) 10.982 3.142 ( 0.000 7.896 0.000) 7.896 3.151 ( 0.000 -13.561 0.000) 13.561 3.316 ( 0.000 4.861 0.000) 4.861 3.360 ( 0.000 -2.032 0.000) 2.032 3.407 ( 0.000 18.906 0.000) 18.906 3.515 ( 0.000 -9.014 0.000) 9.014 3.712 ( 0.000 11.969 0.000) 11.969 4.083 ( 0.000 9.833 0.000) 9.833 4.150 ( 0.000 -10.516 0.000) 10.516 4.232 ( 0.000 10.932 0.000) 10.932 4.233 ( 0.000 1.944 0.000) 1.944 4.418 ( 0.000 8.030 0.000) 8.030 4.618 ( 0.000 -13.866 0.000) 13.866 4.949 ( 0.000 12.691 0.000) 12.691 5.012 ( 0.000 1.567 0.000) 1.567 5.090 ( 0.000 -11.561 0.000) 11.561 5.141 ( 0.000 0.244 0.000) 0.244 5.146 ( 0.000 -2.637 0.000) 2.637 5.162 ( 0.000 3.391 0.000) 3.391 5.197 ( 0.000 -12.351 0.000) 12.351 5.378 ( 0.000 -3.042 0.000) 3.042 5.393 ( 0.000 10.643 0.000) 10.643 5.604 ( 0.000 -9.757 0.000) 9.757 5.640 ( 0.000 -2.995 0.000) 2.995 5.768 ( 0.000 -12.009 0.000) 12.009 6.108 ( 0.000 -0.155 0.000) 0.155 6.131 ( 0.000 0.920 0.000) 0.920 6.152 ( 0.000 4.976 0.000) 4.976 6.208 ( 0.000 -7.248 0.000) 7.248 6.254 ( 0.000 -4.228 0.000) 4.228 6.362 ( 0.000 -5.621 0.000) 5.621 6.364 ( 0.000 -8.537 0.000) 8.537 6.431 ( 0.000 -11.966 0.000) 11.966 6.620 ( 0.000 5.598 0.000) 5.598 6.706 ( 0.000 2.065 0.000) 2.065 6.810 ( 0.000 5.566 0.000) 5.566 6.866 ( 0.000 10.104 0.000) 10.104 6.895 ( 0.000 -6.449 0.000) 6.449 7.006 ( 0.000 0.454 0.000) 0.454 7.110 ( 0.000 -9.709 0.000) 9.709 7.230 ( 0.000 2.450 0.000) 2.450 7.305 ( 0.000 -8.626 0.000) 8.626 7.397 ( 0.000 -3.200 0.000) 3.200 7.438 ( 0.000 4.867 0.000) 4.867 7.528 ( 0.000 10.042 0.000) 10.042 7.617 ( 0.000 -0.659 0.000) 0.659 7.842 ( 0.000 6.587 0.000) 6.587 7.845 ( 0.000 -4.048 0.000) 4.048 7.999 ( 0.000 -1.656 0.000) 1.656 8.232 ( 0.000 4.159 0.000) 4.159 8.316 ( 0.000 -0.806 0.000) 0.806 8.442 ( 0.000 2.834 0.000) 2.834 8.555 ( 0.000 -2.127 0.000) 2.127 10.763 ( 0.000 0.275 0.000) 0.275 10.774 ( 0.000 0.252 0.000) 0.252 10.792 ( 0.000 0.170 0.000) 0.170 10.803 ( 0.000 -0.907 0.000) 0.907 10.868 ( 0.000 1.133 0.000) 1.133 10.875 ( 0.000 1.301 0.000) 1.301 10.890 ( 0.000 0.056 0.000) 0.056 10.975 ( 0.000 -2.908 0.000) 2.908 11.413 ( 0.000 10.832 0.000) 10.832 11.468 ( 0.000 7.611 0.000) 7.611 11.748 ( 0.000 -5.154 0.000) 5.154 11.777 ( 0.000 -3.036 0.000) 3.036 11.848 ( 0.000 0.623 0.000) 0.623 11.866 ( 0.000 -3.118 0.000) 3.118 11.894 ( 0.000 -1.354 0.000) 1.354 11.921 ( 0.000 -2.424 0.000) 2.424 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 0.852 20.766 0.000) 20.783 1.218 ( 8.749 24.174 0.000) 25.708 1.375 ( -16.276 8.396 0.000) 18.314 1.653 ( -6.144 -8.118 0.000) 10.181 1.655 ( -4.483 -1.896 0.000) 4.868 1.742 ( -8.983 3.188 0.000) 9.532 2.003 ( 11.734 27.038 0.000) 29.474 2.009 ( 11.456 7.802 0.000) 13.860 2.223 ( 2.834 -20.549 0.000) 20.743 2.277 ( 3.535 -7.259 0.000) 8.074 2.488 ( -1.187 14.969 0.000) 15.016 2.579 ( 11.171 -12.656 0.000) 16.882 2.825 ( -9.969 10.997 0.000) 14.843 2.864 ( 1.462 -5.320 0.000) 5.517 3.022 ( -5.749 10.257 0.000) 11.758 3.038 ( -6.240 -3.979 0.000) 7.400 3.212 ( 2.573 1.988 0.000) 3.251 3.287 ( -3.296 3.870 0.000) 5.083 3.372 ( -3.387 6.280 0.000) 7.135 3.389 ( 0.834 -2.837 0.000) 2.957 3.506 ( 0.551 1.644 0.000) 1.733 3.658 ( -4.822 12.389 0.000) 13.294 4.115 ( 0.720 -4.165 0.000) 4.226 4.151 ( 2.384 6.729 0.000) 7.139 4.223 ( 4.690 14.029 0.000) 14.792 4.388 ( 10.058 1.184 0.000) 10.127 4.513 ( 7.102 4.916 0.000) 8.637 4.587 ( -4.141 -5.665 0.000) 7.017 4.880 ( -4.855 -0.010 0.000) 4.855 4.919 ( -5.222 -2.633 0.000) 5.848 4.985 ( -8.524 -11.665 0.000) 14.448 5.019 ( -8.979 -3.210 0.000) 9.535 5.125 ( -0.826 11.901 0.000) 11.930 5.173 ( 2.503 1.972 0.000) 3.186 5.348 ( 8.720 -7.970 0.000) 11.814 5.437 ( 2.963 0.978 0.000) 3.120 5.498 ( -4.689 -9.417 0.000) 10.520 5.530 ( 7.470 -8.168 0.000) 11.069 5.677 ( 4.759 0.236 0.000) 4.765 5.861 ( 3.868 -9.264 0.000) 10.038 6.054 ( -5.420 3.630 0.000) 6.523 6.082 ( -3.344 1.489 0.000) 3.661 6.177 ( -1.078 -3.510 0.000) 3.672 6.181 ( 3.554 -2.379 0.000) 4.276 6.231 ( -6.125 -1.771 0.000) 6.376 6.342 ( 3.791 -8.647 0.000) 9.441 6.421 ( -1.096 -13.428 0.000) 13.473 6.436 ( 1.833 -8.283 0.000) 8.484 6.668 ( 5.045 6.043 0.000) 7.872 6.750 ( 3.426 -0.298 0.000) 3.439 6.796 ( -0.337 6.828 0.000) 6.836 6.842 ( -2.143 9.965 0.000) 10.193 6.926 ( 2.702 -5.109 0.000) 5.780 7.018 ( -0.176 -2.871 0.000) 2.877 7.114 ( 1.591 -3.219 0.000) 3.590 7.254 ( 2.034 -1.080 0.000) 2.302 7.280 ( -3.232 -5.883 0.000) 6.713 7.353 ( -5.452 4.719 0.000) 7.210 7.397 ( 0.486 -2.764 0.000) 2.806 7.551 ( -5.887 -1.714 0.000) 6.132 7.596 ( 4.765 8.162 0.000) 9.451 7.793 ( -4.695 7.069 0.000) 8.486 7.875 ( 2.719 -3.872 0.000) 4.731 7.979 ( -2.069 -2.246 0.000) 3.053 8.280 ( 4.540 3.704 0.000) 5.859 8.346 ( 3.130 -0.357 0.000) 3.150 8.421 ( -2.200 2.805 0.000) 3.565 8.516 ( -3.963 -1.149 0.000) 4.126 10.770 ( 0.679 0.205 0.000) 0.709 10.785 ( 1.024 0.026 0.000) 1.024 10.794 ( -0.038 -0.184 0.000) 0.188 10.802 ( 0.118 -0.531 0.000) 0.544 10.866 ( -0.040 1.359 0.000) 1.359 10.876 ( 0.006 1.139 0.000) 1.139 10.890 ( 0.053 0.180 0.000) 0.187 10.943 ( -2.832 -1.237 0.000) 3.090 11.411 ( -0.120 11.050 0.000) 11.051 11.439 ( -2.071 10.049 0.000) 10.260 11.768 ( 1.495 -5.775 0.000) 5.965 11.780 ( 0.270 -3.153 0.000) 3.164 11.833 ( -0.698 1.291 0.000) 1.467 11.856 ( -0.960 -2.404 0.000) 2.588 11.920 ( 1.538 -3.513 0.000) 3.835 11.926 ( 0.526 -3.283 0.000) 3.325 ======================= Grid point 12 (9/60) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -13.158 13.686 0.000) 18.985 1.049 ( 13.158 13.686 0.000) 18.985 1.475 ( -13.147 17.570 0.000) 21.944 1.475 ( 13.147 17.570 0.000) 21.944 1.620 ( -1.883 -10.682 0.000) 10.847 1.620 ( 1.883 -10.682 0.000) 10.847 2.140 ( -0.553 13.717 0.000) 13.728 2.140 ( 0.553 13.717 0.000) 13.728 2.281 ( -2.477 -14.543 0.000) 14.753 2.281 ( 2.477 -14.543 0.000) 14.753 2.566 ( -10.103 15.977 0.000) 18.904 2.566 ( 10.103 15.977 0.000) 18.904 2.819 ( -7.768 -12.394 0.000) 14.627 2.819 ( 7.768 -12.394 0.000) 14.627 2.959 ( -0.064 8.277 0.000) 8.278 2.959 ( 0.064 8.277 0.000) 8.278 3.253 ( -0.624 2.638 0.000) 2.711 3.253 ( 0.624 2.638 0.000) 2.711 3.347 ( -3.128 -1.465 0.000) 3.454 3.347 ( 3.128 -1.465 0.000) 3.454 3.564 ( -4.793 9.841 0.000) 10.946 3.564 ( 4.793 9.841 0.000) 10.946 4.149 ( -1.541 1.946 0.000) 2.482 4.149 ( 1.541 1.946 0.000) 2.482 4.387 ( -9.825 11.853 0.000) 15.395 4.387 ( 9.825 11.853 0.000) 15.395 4.581 ( -2.132 2.050 0.000) 2.958 4.581 ( 2.132 2.050 0.000) 2.958 4.852 ( -1.891 -6.642 0.000) 6.906 4.852 ( 1.891 -6.642 0.000) 6.906 4.901 ( -1.918 -11.472 0.000) 11.632 4.901 ( 1.918 -11.472 0.000) 11.632 5.150 ( -3.092 11.320 0.000) 11.735 5.150 ( 3.092 11.320 0.000) 11.735 5.445 ( -2.248 -6.984 0.000) 7.337 5.445 ( 2.248 -6.984 0.000) 7.337 5.530 ( -4.686 -10.171 0.000) 11.199 5.530 ( 4.686 -10.171 0.000) 11.199 5.829 ( -7.600 -3.970 0.000) 8.574 5.829 ( 7.600 -3.970 0.000) 8.574 6.005 ( -1.552 7.077 0.000) 7.245 6.005 ( 1.552 7.077 0.000) 7.245 6.172 ( -0.699 -1.976 0.000) 2.096 6.172 ( 0.699 -1.976 0.000) 2.096 6.291 ( -6.544 -10.884 0.000) 12.700 6.291 ( 6.544 -10.884 0.000) 12.700 6.442 ( -1.201 -8.430 0.000) 8.515 6.442 ( 1.201 -8.430 0.000) 8.515 6.760 ( -3.558 2.470 0.000) 4.331 6.760 ( 3.558 2.470 0.000) 4.331 6.808 ( -0.921 7.857 0.000) 7.911 6.808 ( 0.921 7.857 0.000) 7.911 6.982 ( -3.023 -5.136 0.000) 5.960 6.982 ( 3.023 -5.136 0.000) 5.960 7.185 ( -5.540 1.363 0.000) 5.705 7.185 ( 5.540 1.363 0.000) 5.705 7.291 ( -2.098 -2.559 0.000) 3.309 7.291 ( 2.098 -2.559 0.000) 3.309 7.442 ( -4.705 -2.204 0.000) 5.195 7.442 ( 4.705 -2.204 0.000) 5.195 7.693 ( -5.622 7.453 0.000) 9.336 7.693 ( 5.622 7.453 0.000) 9.336 7.930 ( -2.998 -3.292 0.000) 4.452 7.930 ( 2.998 -3.292 0.000) 4.452 8.364 ( -3.955 2.913 0.000) 4.912 8.364 ( 3.955 2.913 0.000) 4.912 8.426 ( -5.234 -0.026 0.000) 5.234 8.426 ( 5.234 -0.026 0.000) 5.234 10.785 ( -0.803 -0.102 0.000) 0.809 10.785 ( 0.803 -0.102 0.000) 0.809 10.802 ( -0.515 -0.374 0.000) 0.636 10.802 ( 0.515 -0.374 0.000) 0.636 10.872 ( -0.515 1.217 0.000) 1.321 10.872 ( 0.515 1.217 0.000) 1.321 10.899 ( -1.372 0.455 0.000) 1.445 10.899 ( 1.372 0.455 0.000) 1.445 11.414 ( -0.585 11.293 0.000) 11.308 11.414 ( 0.585 11.293 0.000) 11.308 11.784 ( -0.078 -4.354 0.000) 4.354 11.784 ( 0.078 -4.354 0.000) 4.354 11.836 ( -0.946 -0.444 0.000) 1.045 11.836 ( 0.946 -0.444 0.000) 1.045 11.934 ( -0.030 -4.335 0.000) 4.335 11.934 ( 0.030 -4.335 0.000) 4.335 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 0.000 -19.325 0.000) 19.325 1.360 ( 0.000 19.325 0.000) 19.325 1.611 ( 0.000 -15.277 0.000) 15.277 1.611 ( 0.000 15.277 0.000) 15.277 1.791 ( 0.000 -5.909 0.000) 5.909 1.791 ( 0.000 5.909 0.000) 5.909 1.980 ( 0.000 -7.501 0.000) 7.501 1.980 ( 0.000 7.501 0.000) 7.501 2.095 ( 0.000 -17.316 0.000) 17.316 2.095 ( 0.000 17.316 0.000) 17.316 2.556 ( 0.000 -21.627 0.000) 21.627 2.556 ( 0.000 21.627 0.000) 21.627 2.847 ( 0.000 -16.017 0.000) 16.017 2.847 ( 0.000 16.017 0.000) 16.017 3.077 ( 0.000 -7.054 0.000) 7.054 3.077 ( 0.000 7.054 0.000) 7.054 3.317 ( 0.000 -9.653 0.000) 9.653 3.317 ( 0.000 9.653 0.000) 9.653 3.376 ( 0.000 -0.810 0.000) 0.810 3.376 ( 0.000 0.810 0.000) 0.810 3.831 ( 0.000 -19.788 0.000) 19.788 3.831 ( 0.000 19.788 0.000) 19.788 4.089 ( 0.000 -15.488 0.000) 15.488 4.089 ( 0.000 15.488 0.000) 15.488 4.351 ( 0.000 -10.160 0.000) 10.160 4.351 ( 0.000 10.160 0.000) 10.160 4.409 ( 0.000 -5.250 0.000) 5.250 4.409 ( 0.000 5.250 0.000) 5.250 4.943 ( 0.000 -1.144 0.000) 1.144 4.943 ( 0.000 1.144 0.000) 1.144 5.138 ( 0.000 -6.112 0.000) 6.112 5.138 ( 0.000 6.112 0.000) 6.112 5.152 ( 0.000 -1.812 0.000) 1.812 5.152 ( 0.000 1.812 0.000) 1.812 5.202 ( 0.000 -11.521 0.000) 11.521 5.202 ( 0.000 11.521 0.000) 11.521 5.551 ( 0.000 -7.510 0.000) 7.510 5.551 ( 0.000 7.510 0.000) 7.510 5.621 ( 0.000 -5.404 0.000) 5.404 5.621 ( 0.000 5.404 0.000) 5.404 6.148 ( 0.000 -7.011 0.000) 7.011 6.148 ( 0.000 7.011 0.000) 7.011 6.166 ( 0.000 -5.024 0.000) 5.024 6.166 ( 0.000 5.024 0.000) 5.024 6.182 ( 0.000 -2.548 0.000) 2.548 6.182 ( 0.000 2.548 0.000) 2.548 6.280 ( 0.000 -2.876 0.000) 2.876 6.280 ( 0.000 2.876 0.000) 2.876 6.772 ( 0.000 -4.906 0.000) 4.906 6.772 ( 0.000 4.906 0.000) 4.906 6.836 ( 0.000 -8.713 0.000) 8.713 6.836 ( 0.000 8.713 0.000) 8.713 6.965 ( 0.000 -1.275 0.000) 1.275 6.965 ( 0.000 1.275 0.000) 1.275 7.096 ( 0.000 -11.317 0.000) 11.317 7.096 ( 0.000 11.317 0.000) 11.317 7.316 ( 0.000 -4.675 0.000) 4.675 7.316 ( 0.000 4.675 0.000) 4.675 7.549 ( 0.000 -4.800 0.000) 4.800 7.549 ( 0.000 4.800 0.000) 4.800 7.721 ( 0.000 -7.639 0.000) 7.639 7.721 ( 0.000 7.639 0.000) 7.639 7.945 ( 0.000 -3.720 0.000) 3.720 7.945 ( 0.000 3.720 0.000) 3.720 8.292 ( 0.000 -1.788 0.000) 1.788 8.292 ( 0.000 1.788 0.000) 1.788 8.503 ( 0.000 -2.907 0.000) 2.907 8.503 ( 0.000 2.907 0.000) 2.907 10.772 ( 0.000 -0.407 0.000) 0.407 10.772 ( 0.000 0.407 0.000) 0.407 10.793 ( 0.000 -0.132 0.000) 0.132 10.793 ( 0.000 0.132 0.000) 0.132 10.886 ( 0.000 -0.526 0.000) 0.526 10.886 ( 0.000 0.526 0.000) 0.526 10.916 ( 0.000 -2.606 0.000) 2.606 10.916 ( 0.000 2.606 0.000) 2.606 11.622 ( 0.000 -7.093 0.000) 7.093 11.622 ( 0.000 7.093 0.000) 7.093 11.627 ( 0.000 -9.681 0.000) 9.681 11.627 ( 0.000 9.681 0.000) 9.681 11.867 ( 0.000 -1.205 0.000) 1.205 11.867 ( 0.000 1.205 0.000) 1.205 11.873 ( 0.000 -1.990 0.000) 1.990 11.873 ( 0.000 1.990 0.000) 1.990 ======================= Grid point 17 (11/60) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -2.135 -18.717 0.000) 18.839 1.326 ( -2.135 18.717 0.000) 18.839 1.522 ( -11.116 -5.987 0.000) 12.626 1.522 ( -11.116 5.987 0.000) 12.626 1.751 ( 3.785 -22.445 0.000) 22.762 1.751 ( 3.785 22.445 0.000) 22.762 1.955 ( -2.929 -12.442 0.000) 12.782 1.955 ( -2.929 12.442 0.000) 12.782 2.281 ( 13.453 -14.992 0.000) 20.142 2.281 ( 13.453 14.992 0.000) 20.142 2.594 ( 1.016 -18.888 0.000) 18.916 2.594 ( 1.016 18.888 0.000) 18.916 2.817 ( -0.691 -13.993 0.000) 14.010 2.817 ( -0.691 13.993 0.000) 14.010 3.011 ( -5.995 -7.422 0.000) 9.541 3.011 ( -5.995 7.422 0.000) 9.541 3.302 ( -0.945 -5.842 0.000) 5.918 3.302 ( -0.945 5.842 0.000) 5.918 3.360 ( -2.179 -2.025 0.000) 2.975 3.360 ( -2.179 2.025 0.000) 2.975 3.862 ( 3.439 -20.501 0.000) 20.788 3.862 ( 3.439 20.501 0.000) 20.788 4.047 ( -4.295 -18.605 0.000) 19.094 4.047 ( -4.295 18.605 0.000) 19.094 4.433 ( 8.062 -6.227 0.000) 10.187 4.433 ( 8.062 6.227 0.000) 10.187 4.485 ( 7.920 -8.407 0.000) 11.550 4.485 ( 7.920 8.407 0.000) 11.550 4.821 ( -9.495 -1.989 0.000) 9.701 4.821 ( -9.495 1.989 0.000) 9.701 4.949 ( -13.187 -5.059 0.000) 14.124 4.949 ( -13.187 5.059 0.000) 14.124 5.240 ( 7.005 -6.505 0.000) 9.559 5.240 ( 7.005 6.505 0.000) 9.559 5.318 ( 4.064 -9.667 0.000) 10.487 5.318 ( 4.064 9.667 0.000) 10.487 5.565 ( 1.449 -15.107 0.000) 15.177 5.565 ( 1.449 15.107 0.000) 15.177 5.622 ( -0.279 -9.106 0.000) 9.110 5.622 ( -0.279 9.106 0.000) 9.110 6.119 ( -1.093 -3.331 0.000) 3.506 6.119 ( -1.093 3.331 0.000) 3.506 6.152 ( -1.467 -3.588 0.000) 3.877 6.152 ( -1.467 3.588 0.000) 3.877 6.225 ( 2.499 -2.833 0.000) 3.778 6.225 ( 2.499 2.833 0.000) 3.778 6.269 ( -0.845 -6.021 0.000) 6.079 6.269 ( -0.845 6.021 0.000) 6.079 6.800 ( 2.460 -4.788 0.000) 5.383 6.800 ( 2.460 4.788 0.000) 5.383 6.838 ( 0.396 -7.126 0.000) 7.137 6.838 ( 0.396 7.126 0.000) 7.137 6.991 ( 2.436 -5.942 0.000) 6.422 6.991 ( 2.436 5.942 0.000) 6.422 7.084 ( -1.403 -11.113 0.000) 11.201 7.084 ( -1.403 11.113 0.000) 11.201 7.321 ( 0.939 -4.503 0.000) 4.600 7.321 ( 0.939 4.503 0.000) 4.600 7.479 ( -6.236 -5.246 0.000) 8.149 7.479 ( -6.236 5.246 0.000) 8.149 7.759 ( 3.437 -7.167 0.000) 7.949 7.759 ( 3.437 7.167 0.000) 7.949 7.911 ( -3.439 -4.475 0.000) 5.644 7.911 ( -3.439 4.475 0.000) 5.644 8.331 ( 3.759 -1.360 0.000) 3.998 8.331 ( 3.759 1.360 0.000) 3.998 8.477 ( -2.710 -2.481 0.000) 3.674 8.477 ( -2.710 2.481 0.000) 3.674 10.779 ( 0.668 -0.540 0.000) 0.859 10.779 ( 0.668 0.540 0.000) 0.859 10.794 ( 0.046 -0.261 0.000) 0.265 10.794 ( 0.046 0.261 0.000) 0.265 10.887 ( 0.142 -0.568 0.000) 0.586 10.887 ( 0.142 0.568 0.000) 0.586 10.908 ( -0.750 -1.885 0.000) 2.028 10.908 ( -0.750 1.885 0.000) 2.028 11.624 ( 0.230 -8.144 0.000) 8.147 11.624 ( 0.230 8.144 0.000) 8.147 11.627 ( 0.059 -9.738 0.000) 9.738 11.627 ( 0.059 9.738 0.000) 9.738 11.866 ( -0.038 -2.018 0.000) 2.018 11.866 ( -0.038 2.018 0.000) 2.018 11.871 ( -0.221 -2.179 0.000) 2.191 11.871 ( -0.221 2.179 0.000) 2.191 ======================= Grid point 19 (12/60) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -5.597 -14.645 0.000) 15.679 1.348 ( 5.597 -14.645 0.000) 15.679 1.348 ( -5.597 14.645 0.000) 15.679 1.348 ( 5.597 14.645 0.000) 15.679 1.865 ( -6.553 -19.703 0.000) 20.764 1.865 ( 6.553 -19.703 0.000) 20.764 1.865 ( -6.553 19.703 0.000) 20.764 1.865 ( 6.553 19.703 0.000) 20.764 2.501 ( -9.673 -15.829 0.000) 18.550 2.501 ( 9.673 -15.829 0.000) 18.550 2.501 ( -9.673 15.829 0.000) 18.550 2.501 ( 9.673 15.829 0.000) 18.550 2.890 ( -6.671 -11.485 0.000) 13.282 2.890 ( 6.671 -11.485 0.000) 13.282 2.890 ( -6.671 11.485 0.000) 13.282 2.890 ( 6.671 11.485 0.000) 13.282 3.310 ( -2.175 -2.967 0.000) 3.679 3.310 ( 2.175 -2.967 0.000) 3.679 3.310 ( -2.175 2.967 0.000) 3.679 3.310 ( 2.175 2.967 0.000) 3.679 3.950 ( -5.588 -20.722 0.000) 21.462 3.950 ( 5.588 -20.722 0.000) 21.462 3.950 ( -5.588 20.722 0.000) 21.462 3.950 ( 5.588 20.722 0.000) 21.462 4.597 ( -6.223 -7.662 0.000) 9.871 4.597 ( 6.223 -7.662 0.000) 9.871 4.597 ( -6.223 7.662 0.000) 9.871 4.597 ( 6.223 7.662 0.000) 9.871 4.720 ( -8.499 -7.572 0.000) 11.383 4.720 ( 8.499 -7.572 0.000) 11.383 4.720 ( -8.499 7.572 0.000) 11.383 4.720 ( 8.499 7.572 0.000) 11.383 5.332 ( -2.341 -7.901 0.000) 8.241 5.332 ( 2.341 -7.901 0.000) 8.241 5.332 ( -2.341 7.901 0.000) 8.241 5.332 ( 2.341 7.901 0.000) 8.241 5.599 ( -1.960 -16.005 0.000) 16.124 5.599 ( 1.960 -16.005 0.000) 16.124 5.599 ( -1.960 16.005 0.000) 16.124 5.599 ( 1.960 16.005 0.000) 16.124 6.122 ( -1.252 -3.360 0.000) 3.586 6.122 ( 1.252 -3.360 0.000) 3.586 6.122 ( -1.252 3.360 0.000) 3.586 6.122 ( 1.252 3.360 0.000) 3.586 6.255 ( -0.885 -7.158 0.000) 7.212 6.255 ( 0.885 -7.158 0.000) 7.212 6.255 ( -0.885 7.158 0.000) 7.212 6.255 ( 0.885 7.158 0.000) 7.212 6.837 ( -1.068 -5.485 0.000) 5.588 6.837 ( 1.068 -5.485 0.000) 5.588 6.837 ( -1.068 5.485 0.000) 5.588 6.837 ( 1.068 5.485 0.000) 5.588 7.043 ( -2.888 -9.926 0.000) 10.338 7.043 ( 2.888 -9.926 0.000) 10.338 7.043 ( -2.888 9.926 0.000) 10.338 7.043 ( 2.888 9.926 0.000) 10.338 7.369 ( -4.634 -4.870 0.000) 6.722 7.369 ( 4.634 -4.870 0.000) 6.722 7.369 ( -4.634 4.870 0.000) 6.722 7.369 ( 4.634 4.870 0.000) 6.722 7.834 ( -4.449 -5.968 0.000) 7.444 7.834 ( 4.449 -5.968 0.000) 7.444 7.834 ( -4.449 5.968 0.000) 7.444 7.834 ( 4.449 5.968 0.000) 7.444 8.410 ( -4.318 -1.543 0.000) 4.586 8.410 ( -4.318 1.543 0.000) 4.586 8.410 ( 4.318 -1.543 0.000) 4.586 8.410 ( 4.318 1.543 0.000) 4.586 10.791 ( -0.464 -0.579 0.000) 0.742 10.791 ( 0.464 -0.579 0.000) 0.742 10.791 ( -0.464 0.579 0.000) 0.742 10.791 ( 0.464 0.579 0.000) 0.742 10.894 ( -0.653 -0.809 0.000) 1.040 10.894 ( 0.653 -0.809 0.000) 1.040 10.894 ( -0.653 0.809 0.000) 1.040 10.894 ( 0.653 0.809 0.000) 1.040 11.628 ( -0.085 -9.433 0.000) 9.434 11.628 ( 0.085 -9.433 0.000) 9.434 11.628 ( -0.085 9.433 0.000) 9.434 11.628 ( 0.085 9.433 0.000) 9.434 11.867 ( -0.144 -2.435 0.000) 2.439 11.867 ( 0.144 -2.435 0.000) 2.439 11.867 ( -0.144 2.435 0.000) 2.439 11.867 ( 0.144 2.435 0.000) 2.439 ======================= Grid point 35 (13/60) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( 0.000 0.000 27.233) 27.233 0.564 ( 0.000 0.000 27.561) 27.561 1.107 ( 0.000 0.000 -1.319) 1.319 1.122 ( 0.000 0.000 54.985) 54.985 1.725 ( 0.000 0.000 -5.543) 5.543 1.866 ( 0.000 0.000 3.562) 3.562 1.881 ( 0.000 0.000 9.433) 9.433 1.912 ( 0.000 0.000 5.606) 5.606 1.964 ( 0.000 0.000 -16.166) 16.166 2.332 ( 0.000 0.000 -4.716) 4.716 2.513 ( 0.000 0.000 -21.338) 21.338 2.550 ( 0.000 0.000 -3.688) 3.688 2.679 ( 0.000 0.000 -0.433) 0.433 2.813 ( 0.000 0.000 15.968) 15.968 2.898 ( 0.000 0.000 -6.849) 6.849 2.978 ( 0.000 0.000 -8.980) 8.980 3.037 ( 0.000 0.000 13.620) 13.620 3.134 ( 0.000 0.000 1.462) 1.462 3.434 ( 0.000 0.000 -13.118) 13.118 3.502 ( 0.000 0.000 -4.229) 4.229 3.787 ( 0.000 0.000 2.217) 2.217 3.823 ( 0.000 0.000 13.311) 13.311 3.851 ( 0.000 0.000 10.835) 10.835 3.959 ( 0.000 0.000 0.935) 0.935 4.178 ( 0.000 0.000 -3.243) 3.243 4.185 ( 0.000 0.000 7.908) 7.908 4.231 ( 0.000 0.000 2.374) 2.374 4.622 ( 0.000 0.000 -7.769) 7.769 4.648 ( 0.000 0.000 -9.608) 9.608 4.724 ( 0.000 0.000 3.413) 3.413 5.034 ( 0.000 0.000 -5.610) 5.610 5.065 ( 0.000 0.000 0.609) 0.609 5.226 ( 0.000 0.000 -8.529) 8.529 5.314 ( 0.000 0.000 3.856) 3.856 5.423 ( 0.000 0.000 7.179) 7.179 5.575 ( 0.000 0.000 -0.708) 0.708 5.666 ( 0.000 0.000 8.818) 8.818 5.707 ( 0.000 0.000 -13.837) 13.837 5.883 ( 0.000 0.000 -15.415) 15.415 6.056 ( 0.000 0.000 -0.921) 0.921 6.063 ( 0.000 0.000 -6.204) 6.204 6.145 ( 0.000 0.000 10.704) 10.704 6.226 ( 0.000 0.000 -11.358) 11.358 6.264 ( 0.000 0.000 5.323) 5.323 6.280 ( 0.000 0.000 1.666) 1.666 6.460 ( 0.000 0.000 0.255) 0.255 6.581 ( 0.000 0.000 6.928) 6.928 6.610 ( 0.000 0.000 -5.266) 5.266 6.709 ( 0.000 0.000 -5.771) 5.771 6.723 ( 0.000 0.000 1.440) 1.440 6.798 ( 0.000 0.000 9.041) 9.041 6.846 ( 0.000 0.000 9.474) 9.474 7.042 ( 0.000 0.000 -0.883) 0.883 7.115 ( 0.000 0.000 -2.044) 2.044 7.141 ( 0.000 0.000 4.674) 4.674 7.185 ( 0.000 0.000 -1.113) 1.113 7.192 ( 0.000 0.000 -4.386) 4.386 7.343 ( 0.000 0.000 -8.719) 8.719 7.363 ( 0.000 0.000 -5.377) 5.377 7.520 ( 0.000 0.000 0.055) 0.055 7.658 ( 0.000 0.000 -0.095) 0.095 7.665 ( 0.000 0.000 0.164) 0.164 7.737 ( 0.000 0.000 -0.267) 0.267 7.844 ( 0.000 0.000 2.709) 2.709 7.908 ( 0.000 0.000 -2.719) 2.719 8.041 ( 0.000 0.000 1.265) 1.265 8.513 ( 0.000 0.000 5.360) 5.360 9.142 ( 0.000 0.000 -3.525) 3.525 10.766 ( 0.000 0.000 -0.108) 0.108 10.772 ( 0.000 0.000 1.009) 1.009 10.777 ( 0.000 0.000 0.708) 0.708 10.807 ( 0.000 0.000 1.711) 1.711 10.871 ( 0.000 0.000 0.965) 0.965 10.880 ( 0.000 0.000 2.072) 2.072 10.924 ( 0.000 0.000 2.448) 2.448 10.939 ( 0.000 0.000 0.117) 0.117 11.021 ( 0.000 0.000 -1.582) 1.582 11.091 ( 0.000 0.000 -0.584) 0.584 11.260 ( 0.000 0.000 -1.458) 1.458 11.796 ( 0.000 0.000 -5.878) 5.878 11.846 ( 0.000 0.000 1.222) 1.222 12.007 ( 0.000 0.000 0.331) 0.331 12.061 ( 0.000 0.000 6.673) 6.673 12.655 ( 0.000 0.000 -1.777) 1.777 ======================= Grid point 36 (14/60) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 13.577 0.000 19.764) 23.978 0.722 ( 16.061 0.000 19.697) 25.415 1.115 ( -1.802 0.000 1.704) 2.480 1.349 ( 17.243 0.000 41.211) 44.673 1.530 ( -16.509 0.000 3.699) 16.918 1.637 ( -4.134 0.000 0.539) 4.168 1.783 ( -5.456 0.000 0.792) 5.513 2.104 ( 12.175 0.000 5.725) 13.454 2.165 ( -0.108 0.000 -3.120) 3.122 2.340 ( 2.020 0.000 -4.220) 4.679 2.472 ( -5.023 0.000 -12.791) 13.742 2.475 ( -10.272 0.000 7.321) 12.614 2.679 ( 0.770 0.000 -5.689) 5.741 2.685 ( 1.008 0.000 -1.388) 1.715 2.853 ( -8.374 0.000 -9.898) 12.965 3.000 ( 10.035 0.000 3.372) 10.586 3.094 ( -2.148 0.000 -2.902) 3.611 3.266 ( 9.590 0.000 1.080) 9.651 3.377 ( -7.079 0.000 -7.594) 10.382 3.518 ( 4.183 0.000 -9.396) 10.285 3.622 ( -9.716 0.000 6.433) 11.652 3.738 ( -6.603 0.000 1.275) 6.725 3.894 ( -2.134 0.000 12.488) 12.669 3.989 ( 9.565 0.000 6.407) 11.513 4.175 ( -8.228 0.000 0.203) 8.230 4.229 ( -1.259 0.000 1.915) 2.292 4.313 ( 7.693 0.000 1.011) 7.759 4.521 ( -1.152 0.000 3.720) 3.894 4.601 ( -2.919 0.000 -4.944) 5.741 4.682 ( -3.874 0.000 3.063) 4.939 5.107 ( 3.636 0.000 2.594) 4.467 5.212 ( 11.292 0.000 -13.917) 17.922 5.287 ( 1.845 0.000 3.833) 4.254 5.313 ( -0.928 0.000 -5.357) 5.437 5.328 ( 2.669 0.000 0.958) 2.836 5.678 ( 5.789 0.000 -9.800) 11.383 5.694 ( 0.876 0.000 -1.238) 1.516 5.724 ( -6.624 0.000 -9.476) 11.562 5.821 ( 6.126 0.000 3.337) 6.976 5.959 ( -13.783 0.000 7.766) 15.820 6.030 ( -4.504 0.000 -3.195) 5.522 6.099 ( -1.067 0.000 -0.325) 1.116 6.231 ( 3.798 0.000 2.660) 4.637 6.284 ( 3.149 0.000 -1.049) 3.319 6.430 ( 2.949 0.000 -5.574) 6.306 6.465 ( -0.619 0.000 0.330) 0.701 6.573 ( -0.789 0.000 6.578) 6.625 6.598 ( -5.181 0.000 1.439) 5.377 6.615 ( 1.955 0.000 -1.024) 2.207 6.727 ( -1.184 0.000 4.312) 4.472 6.843 ( 6.616 0.000 -4.698) 8.114 6.892 ( 3.762 0.000 7.849) 8.704 7.021 ( -2.372 0.000 -2.868) 3.722 7.048 ( -3.318 0.000 3.316) 4.691 7.145 ( 0.434 0.000 4.641) 4.661 7.175 ( -0.956 0.000 0.843) 1.274 7.256 ( -0.410 0.000 -8.904) 8.914 7.331 ( -2.324 0.000 -9.269) 9.556 7.408 ( 4.987 0.000 -8.443) 9.806 7.512 ( -1.473 0.000 -0.872) 1.712 7.659 ( 0.098 0.000 -0.057) 0.114 7.664 ( -0.105 0.000 0.131) 0.168 7.794 ( 5.754 0.000 -5.343) 7.852 7.898 ( 2.832 0.000 -11.384) 11.731 7.912 ( 1.294 0.000 5.318) 5.473 8.026 ( -1.867 0.000 2.587) 3.190 8.553 ( 4.623 0.000 6.781) 8.207 8.925 ( -15.703 0.000 8.902) 18.051 10.770 ( 0.576 0.000 0.346) 0.672 10.780 ( 0.373 0.000 -0.363) 0.520 10.781 ( 0.334 0.000 0.808) 0.874 10.801 ( -0.563 0.000 1.491) 1.594 10.865 ( -0.352 0.000 1.373) 1.417 10.878 ( -0.343 0.000 2.450) 2.474 10.897 ( -0.723 0.000 2.760) 2.853 10.928 ( -0.968 0.000 2.653) 2.825 11.032 ( 1.167 0.000 -1.363) 1.794 11.081 ( -0.957 0.000 -0.683) 1.176 11.455 ( 12.947 0.000 -11.316) 17.195 11.744 ( -4.338 0.000 -6.146) 7.523 11.881 ( 2.483 0.000 0.712) 2.584 11.973 ( -2.469 0.000 1.671) 2.981 12.116 ( 4.951 0.000 5.819) 7.641 12.450 ( -14.445 0.000 8.750) 16.888 ======================= Grid point 37 (15/60) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -13.467 0.000 10.156) 16.867 0.965 ( 13.467 0.000 10.156) 16.867 1.087 ( -21.837 0.000 8.918) 23.587 1.087 ( 21.837 0.000 8.918) 23.587 1.668 ( -5.997 0.000 -0.448) 6.014 1.668 ( 5.997 0.000 -0.448) 6.014 1.859 ( -25.992 0.000 27.535) 37.865 1.859 ( 25.992 0.000 27.535) 37.865 2.321 ( -10.742 0.000 0.278) 10.746 2.321 ( 10.742 0.000 0.278) 10.746 2.366 ( -1.296 0.000 -3.990) 4.195 2.366 ( 1.296 0.000 -3.990) 4.195 2.729 ( -4.760 0.000 -11.898) 12.815 2.729 ( 4.760 0.000 -11.898) 12.815 2.894 ( -15.177 0.000 -10.612) 18.519 2.894 ( 15.177 0.000 -10.612) 18.519 3.209 ( -10.512 0.000 0.784) 10.541 3.209 ( 10.512 0.000 0.784) 10.541 3.444 ( -9.597 0.000 3.832) 10.334 3.444 ( 9.597 0.000 3.832) 10.334 3.639 ( -6.149 0.000 -8.546) 10.528 3.639 ( 6.149 0.000 -8.546) 10.528 3.949 ( -9.526 0.000 9.557) 13.494 3.949 ( 9.526 0.000 9.557) 13.494 4.149 ( -7.251 0.000 2.779) 7.766 4.149 ( 7.251 0.000 2.779) 7.766 4.468 ( -6.990 0.000 3.998) 8.053 4.468 ( 6.990 0.000 3.998) 8.053 4.606 ( -3.326 0.000 1.215) 3.541 4.606 ( 3.326 0.000 1.215) 3.541 5.192 ( -5.738 0.000 4.668) 7.397 5.192 ( 5.738 0.000 4.668) 7.397 5.348 ( -2.509 0.000 -6.452) 6.922 5.348 ( 2.509 0.000 -6.452) 6.922 5.527 ( -11.765 0.000 -12.640) 17.268 5.527 ( 11.765 0.000 -12.640) 17.268 5.681 ( -4.527 0.000 -4.244) 6.205 5.681 ( 4.527 0.000 -4.244) 6.205 5.913 ( -7.570 0.000 1.337) 7.687 5.913 ( 7.570 0.000 1.337) 7.687 5.990 ( -8.916 0.000 3.786) 9.686 5.990 ( 8.916 0.000 3.786) 9.686 6.342 ( -7.509 0.000 5.136) 9.097 6.342 ( 7.509 0.000 5.136) 9.097 6.393 ( -6.526 0.000 -2.251) 6.903 6.393 ( 6.526 0.000 -2.251) 6.903 6.559 ( -0.345 0.000 5.813) 5.824 6.559 ( 0.345 0.000 5.813) 5.824 6.693 ( -3.714 0.000 -3.084) 4.828 6.693 ( 3.714 0.000 -3.084) 4.828 6.952 ( -5.027 0.000 -5.395) 7.374 6.952 ( 5.027 0.000 -5.395) 7.374 6.981 ( -4.761 0.000 5.027) 6.924 6.981 ( 4.761 0.000 5.027) 6.924 7.157 ( -0.849 0.000 3.741) 3.836 7.157 ( 0.849 0.000 3.741) 3.836 7.271 ( -2.925 0.000 -8.177) 8.685 7.271 ( 2.925 0.000 -8.177) 8.685 7.474 ( -2.535 0.000 -4.398) 5.076 7.474 ( 2.535 0.000 -4.398) 5.076 7.661 ( -0.146 0.000 0.040) 0.151 7.661 ( 0.146 0.000 0.040) 0.151 7.885 ( -2.892 0.000 -11.515) 11.873 7.885 ( 2.892 0.000 -11.515) 11.873 7.973 ( -3.483 0.000 3.656) 5.049 7.973 ( 3.483 0.000 3.656) 5.049 8.687 ( -9.964 0.000 9.806) 13.980 8.687 ( 9.964 0.000 9.806) 13.980 10.781 ( -0.369 0.000 -0.483) 0.608 10.781 ( 0.369 0.000 -0.483) 0.608 10.789 ( -0.604 0.000 1.095) 1.251 10.789 ( 0.604 0.000 1.095) 1.251 10.866 ( -0.510 0.000 2.712) 2.760 10.866 ( 0.510 0.000 2.712) 2.760 10.907 ( -1.178 0.000 2.434) 2.704 10.907 ( 1.178 0.000 2.434) 2.704 11.058 ( -1.471 0.000 -0.969) 1.761 11.058 ( 1.471 0.000 -0.969) 1.761 11.639 ( -7.339 0.000 -9.543) 12.039 11.639 ( 7.339 0.000 -9.543) 12.039 11.927 ( -2.489 0.000 1.442) 2.877 11.927 ( 2.489 0.000 1.442) 2.877 12.239 ( -8.619 0.000 7.938) 11.717 12.239 ( 8.619 0.000 7.938) 11.717 ======================= Grid point 40 (16/60) ======================= q-point: ( 0.00 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 0.000 13.394 19.415) 23.587 0.842 ( 0.000 18.940 20.018) 27.558 1.311 ( 0.000 17.491 1.310) 17.540 1.420 ( 0.000 27.044 34.883) 44.138 1.790 ( 0.000 2.428 -2.120) 3.223 1.819 ( 0.000 -4.332 8.237) 9.307 1.869 ( 0.000 0.182 4.383) 4.387 1.870 ( 0.000 0.619 -3.887) 3.936 2.168 ( 0.000 9.787 -1.944) 9.978 2.334 ( 0.000 6.285 -3.136) 7.024 2.373 ( 0.000 -9.433 -14.210) 17.056 2.669 ( 0.000 -8.821 -6.793) 11.133 2.685 ( 0.000 7.219 -9.240) 11.726 2.785 ( 0.000 -4.791 9.525) 10.662 2.871 ( 0.000 10.145 0.369) 10.152 2.895 ( 0.000 0.024 -5.317) 5.317 3.148 ( 0.000 -0.771 4.080) 4.153 3.321 ( 0.000 14.556 10.207) 17.778 3.373 ( 0.000 -3.279 -11.242) 11.711 3.431 ( 0.000 -1.936 -4.034) 4.474 3.758 ( 0.000 -4.266 10.193) 11.050 3.768 ( 0.000 -4.757 8.758) 9.966 3.957 ( 0.000 5.517 7.715) 9.485 4.026 ( 0.000 5.608 -0.724) 5.654 4.092 ( 0.000 0.490 -7.616) 7.632 4.190 ( 0.000 0.552 -3.768) 3.808 4.319 ( 0.000 1.413 5.710) 5.882 4.662 ( 0.000 7.211 -5.295) 8.946 4.773 ( 0.000 5.747 -12.610) 13.858 4.831 ( 0.000 9.877 0.613) 9.896 4.881 ( 0.000 -8.245 -1.932) 8.468 5.078 ( 0.000 -4.730 -9.370) 10.496 5.132 ( 0.000 -7.444 -4.840) 8.879 5.290 ( 0.000 -2.050 5.019) 5.422 5.445 ( 0.000 1.689 8.565) 8.730 5.515 ( 0.000 -7.436 5.704) 9.371 5.638 ( 0.000 -0.534 11.017) 11.030 5.721 ( 0.000 -0.693 -9.922) 9.946 5.918 ( 0.000 3.104 -14.401) 14.732 5.930 ( 0.000 -6.652 2.517) 7.112 6.036 ( 0.000 -10.371 2.212) 10.604 6.061 ( 0.000 0.264 -2.229) 2.244 6.192 ( 0.000 2.180 -2.541) 3.348 6.230 ( 0.000 -3.576 8.897) 9.589 6.329 ( 0.000 0.910 -0.025) 0.911 6.401 ( 0.000 -4.962 2.673) 5.636 6.504 ( 0.000 -7.162 -5.050) 8.763 6.542 ( 0.000 -11.066 0.802) 11.095 6.634 ( 0.000 1.023 0.279) 1.061 6.722 ( 0.000 0.777 0.331) 0.845 6.746 ( 0.000 -0.562 4.249) 4.286 6.890 ( 0.000 2.477 7.057) 7.479 7.033 ( 0.000 -2.743 0.239) 2.753 7.042 ( 0.000 -5.113 3.533) 6.215 7.195 ( 0.000 0.912 -2.361) 2.531 7.197 ( 0.000 0.863 -8.898) 8.940 7.299 ( 0.000 7.268 -3.318) 7.990 7.336 ( 0.000 0.477 -0.844) 0.969 7.470 ( 0.000 -0.834 2.119) 2.278 7.477 ( 0.000 -2.846 0.113) 2.848 7.602 ( 0.000 -0.621 0.078) 0.626 7.636 ( 0.000 4.790 -2.746) 5.521 7.850 ( 0.000 3.565 -9.004) 9.685 7.897 ( 0.000 -1.078 -2.054) 2.320 7.983 ( 0.000 9.585 -2.418) 9.886 8.128 ( 0.000 7.109 -2.962) 7.701 8.503 ( 0.000 -0.894 4.333) 4.424 8.881 ( 0.000 -14.882 7.312) 16.581 10.765 ( 0.000 0.025 0.334) 0.335 10.766 ( 0.000 0.678 0.576) 0.889 10.800 ( 0.000 1.097 1.804) 2.112 10.854 ( 0.000 -1.386 1.095) 1.767 10.873 ( 0.000 0.454 1.576) 1.641 10.895 ( 0.000 0.302 3.163) 3.177 10.898 ( 0.000 -1.100 1.419) 1.795 11.029 ( 0.000 -0.670 0.468) 0.817 11.184 ( 0.000 8.184 -1.904) 8.402 11.207 ( 0.000 18.490 -17.881) 25.722 11.305 ( 0.000 4.374 -2.314) 4.949 11.780 ( 0.000 -1.627 -6.052) 6.266 11.851 ( 0.000 0.586 1.483) 1.594 11.974 ( 0.000 -2.979 0.955) 3.128 12.036 ( 0.000 -2.220 6.241) 6.624 12.385 ( 0.000 -16.988 11.665) 20.608 ======================= Grid point 41 (17/60) ======================= q-point: ( 0.25 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 8.091 10.602 19.847) 23.912 0.977 ( 12.439 15.709 16.215) 25.776 1.264 ( -7.331 12.553 6.253) 15.825 1.537 ( -11.691 4.042 -0.869) 12.400 1.610 ( 7.651 21.219 22.367) 31.765 1.735 ( -0.732 3.527 13.282) 13.762 1.826 ( -2.686 2.905 -2.944) 4.932 2.025 ( 8.291 -2.030 3.492) 9.223 2.245 ( -0.555 -2.924 -2.011) 3.592 2.385 ( 6.252 15.347 -5.160) 17.356 2.404 ( 3.033 -5.484 -10.694) 12.395 2.548 ( -8.501 -6.584 1.467) 10.852 2.647 ( -5.217 6.675 -2.933) 8.965 2.748 ( -3.929 6.156 -6.945) 10.078 2.882 ( 4.603 -4.365 1.667) 6.559 2.981 ( 4.064 2.339 -6.409) 7.941 3.067 ( -5.583 0.459 4.187) 6.994 3.301 ( -2.380 0.879 3.420) 4.258 3.329 ( -1.674 -1.380 -7.231) 7.549 3.518 ( 4.579 2.471 -2.601) 5.817 3.647 ( -4.496 -2.016 7.784) 9.213 3.729 ( -5.430 -1.109 6.638) 8.648 3.912 ( -5.104 3.867 0.342) 6.413 4.003 ( 1.692 4.174 -3.128) 5.483 4.189 ( 5.321 -2.546 2.252) 6.314 4.261 ( 0.139 0.017 1.313) 1.321 4.334 ( 5.289 8.057 1.561) 9.764 4.598 ( -5.016 6.618 0.555) 8.323 4.724 ( -0.965 8.273 -5.850) 10.178 4.799 ( -2.769 8.734 1.465) 9.279 5.001 ( 6.352 -9.067 -2.710) 11.397 5.115 ( 2.815 -8.964 -9.158) 13.120 5.129 ( 2.376 -8.048 -7.654) 11.357 5.299 ( -6.268 -2.170 6.980) 9.629 5.377 ( 5.243 0.062 4.180) 6.706 5.586 ( 2.736 -8.932 1.543) 9.468 5.706 ( 1.989 -0.661 -8.075) 8.342 5.739 ( -4.639 -0.865 -2.630) 5.402 5.789 ( 2.675 -0.044 2.516) 3.673 5.959 ( -2.716 0.497 4.865) 5.594 6.023 ( -7.340 0.519 5.866) 9.410 6.074 ( 2.395 -3.146 -2.509) 4.683 6.157 ( 4.425 -2.910 -2.320) 5.782 6.299 ( -1.098 -2.949 -1.221) 3.375 6.369 ( 5.145 -2.299 1.100) 5.742 6.400 ( 0.299 -6.014 2.586) 6.554 6.478 ( -0.075 -7.737 -4.142) 8.777 6.540 ( -2.576 -3.941 -2.741) 5.448 6.683 ( 0.770 5.008 4.965) 7.093 6.708 ( 2.914 -3.168 -0.512) 4.335 6.752 ( 1.687 -3.044 0.319) 3.495 6.893 ( -0.834 -0.927 5.034) 5.186 6.982 ( -1.332 -2.029 -1.910) 3.088 7.039 ( -1.681 -1.718 -1.583) 2.878 7.163 ( 0.645 1.904 3.206) 3.784 7.247 ( -2.929 3.549 3.455) 5.754 7.299 ( 1.722 0.129 -8.943) 9.108 7.336 ( -0.158 0.123 -2.124) 2.134 7.431 ( 0.842 -0.047 -1.805) 1.992 7.540 ( 0.505 0.996 -0.115) 1.123 7.557 ( -1.417 -3.523 1.320) 4.020 7.632 ( -1.308 3.103 0.124) 3.370 7.861 ( 1.294 1.254 -7.877) 8.081 7.899 ( 0.016 -0.920 -5.362) 5.441 8.025 ( 3.705 9.247 -3.546) 10.574 8.123 ( -0.814 7.593 -3.127) 8.252 8.532 ( 3.415 -1.899 5.441) 6.698 8.786 ( -8.424 -9.782 8.529) 15.472 10.770 ( 0.587 0.048 0.241) 0.637 10.775 ( 0.646 0.437 0.065) 0.783 10.807 ( 0.791 1.431 1.707) 2.364 10.852 ( -0.048 -1.138 1.745) 2.084 10.874 ( -0.587 0.666 1.996) 2.184 10.880 ( -1.188 0.534 1.479) 1.971 10.896 ( -0.136 -0.132 2.007) 2.016 10.951 ( -5.037 2.499 0.859) 5.689 11.144 ( -0.093 10.615 -4.077) 11.372 11.188 ( -1.177 9.101 -1.812) 9.354 11.486 ( 10.790 2.845 -12.140) 16.489 11.738 ( -3.809 -0.718 -6.617) 7.669 11.876 ( 1.964 -0.327 1.307) 2.381 11.951 ( -1.907 -2.031 1.893) 3.368 12.076 ( 3.771 -3.583 5.853) 7.831 12.298 ( -7.414 -11.382 11.051) 17.511 ======================= Grid point 42 (18/60) ======================= q-point: (-0.50 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -16.836 6.272 14.433) 23.046 1.010 ( 16.836 6.272 14.433) 23.046 1.253 ( -16.195 11.995 7.443) 21.484 1.253 ( 16.195 11.995 7.443) 21.484 1.692 ( -5.624 4.138 1.883) 7.232 1.692 ( 5.624 4.138 1.883) 7.232 2.036 ( -13.210 4.869 12.551) 18.861 2.036 ( 13.210 4.869 12.551) 18.861 2.238 ( -5.587 7.470 3.067) 9.820 2.238 ( 5.587 7.470 3.067) 9.820 2.522 ( -7.251 0.600 -8.761) 11.388 2.522 ( 7.251 0.600 -8.761) 11.388 2.642 ( -8.619 0.469 -2.815) 9.079 2.642 ( 8.619 0.469 -2.815) 9.079 2.934 ( -4.948 1.250 -9.985) 11.213 2.934 ( 4.948 1.250 -9.985) 11.213 3.162 ( -10.275 -2.101 2.136) 10.703 3.162 ( 10.275 -2.101 2.136) 10.703 3.430 ( -9.058 -0.254 2.274) 9.342 3.430 ( 9.058 -0.254 2.274) 9.342 3.665 ( -2.379 -1.367 3.779) 4.670 3.665 ( 2.379 -1.367 3.779) 4.670 3.930 ( -6.605 4.992 -7.202) 10.973 3.930 ( 6.605 4.992 -7.202) 10.973 4.246 ( -1.060 3.161 9.053) 9.648 4.246 ( 1.060 3.161 9.053) 9.648 4.480 ( -7.759 4.576 -1.061) 9.070 4.480 ( 7.759 4.576 -1.061) 9.070 4.740 ( -2.447 9.103 0.103) 9.427 4.740 ( 2.447 9.103 0.103) 9.427 5.117 ( -5.585 -11.080 -7.505) 14.502 5.117 ( 5.585 -11.080 -7.505) 14.502 5.189 ( -3.406 -5.890 4.176) 7.983 5.189 ( 3.406 -5.890 4.176) 7.983 5.533 ( -8.382 -5.704 -1.700) 10.280 5.533 ( 8.382 -5.704 -1.700) 10.280 5.674 ( -2.050 0.693 -9.968) 10.200 5.674 ( 2.050 0.693 -9.968) 10.200 5.902 ( -6.087 0.463 5.255) 8.055 5.902 ( 6.087 0.463 5.255) 8.055 6.008 ( -6.029 1.125 6.262) 8.765 6.008 ( 6.029 1.125 6.262) 8.765 6.257 ( -5.695 -6.165 2.328) 8.710 6.257 ( 5.695 -6.165 2.328) 8.710 6.420 ( -2.399 -1.096 -3.559) 4.430 6.420 ( 2.399 -1.096 -3.559) 4.430 6.475 ( -1.977 -5.114 -2.287) 5.941 6.475 ( 1.977 -5.114 -2.287) 5.941 6.722 ( -1.187 3.018 3.600) 4.845 6.722 ( 1.187 3.018 3.600) 4.845 6.829 ( -5.355 -6.996 -2.287) 9.102 6.829 ( 5.355 -6.996 -2.287) 9.102 7.001 ( -2.146 -0.918 -2.196) 3.205 7.001 ( 2.146 -0.918 -2.196) 3.205 7.193 ( -2.301 2.353 5.202) 6.155 7.193 ( 2.301 2.353 5.202) 6.155 7.319 ( -1.234 1.281 -4.497) 4.836 7.319 ( 1.234 1.281 -4.497) 4.836 7.479 ( -3.443 -0.449 -1.769) 3.897 7.479 ( 3.443 -0.449 -1.769) 3.897 7.595 ( -2.352 -0.518 2.136) 3.220 7.595 ( 2.352 -0.518 2.136) 3.220 7.889 ( -1.251 -0.763 -7.632) 7.771 7.889 ( 1.251 -0.763 -7.632) 7.771 8.090 ( -2.842 8.676 -3.850) 9.908 8.090 ( 2.842 8.676 -3.850) 9.908 8.633 ( -7.321 -4.606 7.675) 11.563 8.633 ( 7.321 -4.606 7.675) 11.563 10.780 ( -0.260 0.058 -0.212) 0.340 10.780 ( 0.260 0.058 -0.212) 0.340 10.833 ( -2.089 2.077 1.400) 3.261 10.833 ( 2.089 2.077 1.400) 3.261 10.863 ( -0.922 0.275 2.248) 2.445 10.863 ( 0.922 0.275 2.248) 2.445 10.904 ( -0.989 0.205 2.045) 2.281 10.904 ( 0.989 0.205 2.045) 2.281 11.162 ( -1.465 9.003 -2.079) 9.355 11.162 ( 1.465 9.003 -2.079) 9.355 11.644 ( -6.536 0.338 -9.635) 11.648 11.644 ( 6.536 0.338 -9.635) 11.648 11.914 ( -2.057 -1.149 1.854) 2.998 11.914 ( 2.057 -1.149 1.854) 2.998 12.168 ( -6.130 -6.085 7.867) 11.684 12.168 ( 6.130 -6.085 7.867) 11.684 ======================= Grid point 45 (19/60) ======================= q-point: ( 0.00 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 0.000 17.754 10.474) 20.613 1.236 ( 0.000 19.618 11.150) 22.565 1.707 ( 0.000 -4.638 -2.382) 5.214 1.719 ( 0.000 19.195 2.981) 19.425 1.740 ( 0.000 -1.451 8.403) 8.528 1.757 ( 0.000 -6.574 1.318) 6.705 1.890 ( 0.000 0.352 0.760) 0.838 2.144 ( 0.000 -10.211 -2.680) 10.557 2.151 ( 0.000 28.903 23.927) 37.521 2.333 ( 0.000 -3.715 7.744) 8.589 2.430 ( 0.000 10.716 -7.070) 12.838 2.545 ( 0.000 -13.595 8.164) 15.858 2.694 ( 0.000 9.365 -17.855) 20.162 2.782 ( 0.000 0.919 -15.044) 15.072 2.885 ( 0.000 -2.058 -3.083) 3.706 3.059 ( 0.000 -7.214 8.084) 10.834 3.179 ( 0.000 10.267 -8.962) 13.628 3.403 ( 0.000 12.539 -2.976) 12.887 3.436 ( 0.000 -1.221 3.135) 3.365 3.599 ( 0.000 7.621 18.614) 20.114 3.631 ( 0.000 -7.090 6.888) 9.885 3.731 ( 0.000 5.991 -0.243) 5.996 3.976 ( 0.000 -0.045 -5.933) 5.933 4.152 ( 0.000 5.867 -3.995) 7.097 4.168 ( 0.000 -3.406 -5.234) 6.245 4.262 ( 0.000 8.924 -0.620) 8.946 4.265 ( 0.000 -2.460 -4.815) 5.407 4.754 ( 0.000 -4.255 2.228) 4.803 4.791 ( 0.000 -0.935 -10.652) 10.693 4.856 ( 0.000 5.371 -11.174) 12.398 4.910 ( 0.000 -9.489 -8.968) 13.056 4.959 ( 0.000 -10.073 -3.938) 10.815 5.056 ( 0.000 10.151 -5.836) 11.709 5.276 ( 0.000 3.373 11.739) 12.214 5.312 ( 0.000 -7.698 6.848) 10.303 5.519 ( 0.000 5.381 7.960) 9.608 5.599 ( 0.000 -5.803 2.456) 6.301 5.713 ( 0.000 -12.111 -0.037) 12.111 5.767 ( 0.000 4.215 12.127) 12.838 5.806 ( 0.000 -6.816 8.507) 10.901 6.038 ( 0.000 -1.057 -16.257) 16.292 6.061 ( 0.000 -0.859 -1.539) 1.763 6.146 ( 0.000 -1.259 1.892) 2.272 6.193 ( 0.000 -1.149 1.834) 2.165 6.286 ( 0.000 -4.965 0.374) 4.979 6.292 ( 0.000 -6.455 7.919) 10.216 6.383 ( 0.000 -2.853 3.426) 4.458 6.413 ( 0.000 0.721 -3.535) 3.607 6.643 ( 0.000 1.706 -3.490) 3.885 6.748 ( 0.000 -0.515 -3.108) 3.151 6.821 ( 0.000 1.661 4.972) 5.242 6.867 ( 0.000 2.472 4.537) 5.167 6.968 ( 0.000 -2.591 1.327) 2.911 6.996 ( 0.000 -0.438 -0.984) 1.077 7.082 ( 0.000 -9.697 -2.739) 10.076 7.249 ( 0.000 -6.126 -5.082) 7.959 7.249 ( 0.000 3.825 1.745) 4.204 7.382 ( 0.000 -2.520 -0.814) 2.648 7.471 ( 0.000 2.924 3.187) 4.325 7.539 ( 0.000 8.154 1.050) 8.222 7.599 ( 0.000 -0.717 -1.619) 1.770 7.727 ( 0.000 1.481 -7.806) 7.945 7.873 ( 0.000 -0.781 0.559) 0.961 7.881 ( 0.000 0.270 -7.744) 7.749 8.181 ( 0.000 9.024 -2.838) 9.460 8.257 ( 0.000 4.780 -3.487) 5.917 8.481 ( 0.000 -0.933 1.452) 1.725 8.643 ( 0.000 -9.110 3.939) 9.925 10.772 ( 0.000 0.630 0.999) 1.181 10.782 ( 0.000 0.683 0.879) 1.114 10.818 ( 0.000 0.420 2.426) 2.462 10.829 ( 0.000 -0.823 1.868) 2.041 10.884 ( 0.000 0.638 1.140) 1.306 10.891 ( 0.000 0.123 0.587) 0.600 10.901 ( 0.000 0.699 2.328) 2.431 10.990 ( 0.000 -2.751 1.268) 3.029 11.378 ( 0.000 9.841 -3.765) 10.537 11.419 ( 0.000 6.148 -3.787) 7.220 11.463 ( 0.000 6.759 -14.594) 16.084 11.721 ( 0.000 -4.538 -6.179) 7.666 11.871 ( 0.000 1.325 2.295) 2.650 11.905 ( 0.000 -2.880 2.683) 3.937 11.982 ( 0.000 -2.549 5.425) 5.994 12.112 ( 0.000 -9.660 10.609) 14.348 ======================= Grid point 46 (20/60) ======================= q-point: ( 0.25 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 2.800 16.530 12.454) 20.885 1.324 ( 8.818 17.869 8.835) 21.797 1.484 ( -15.690 7.676 10.228) 20.241 1.681 ( -4.472 -2.356 2.570) 5.670 1.705 ( -4.002 -3.135 5.337) 7.371 1.752 ( -5.602 4.128 0.544) 6.980 1.955 ( 7.762 1.697 -1.499) 8.085 2.145 ( 1.060 -9.209 -3.314) 9.844 2.233 ( 3.679 17.840 12.614) 22.156 2.334 ( -0.850 -5.736 2.572) 6.344 2.452 ( 5.201 14.599 -0.154) 15.498 2.645 ( 7.037 -13.664 2.035) 15.504 2.695 ( 1.289 8.999 -15.308) 17.804 2.790 ( -1.509 4.361 -3.269) 5.655 2.838 ( -1.798 -0.248 -7.001) 7.233 3.018 ( -5.164 -3.187 7.768) 9.858 3.193 ( 1.563 10.051 -6.329) 11.980 3.345 ( -1.998 2.070 0.511) 2.922 3.415 ( -6.606 10.921 1.633) 12.868 3.543 ( -5.472 -0.370 12.786) 13.912 3.589 ( 2.067 -1.779 5.151) 5.829 3.753 ( -2.296 6.245 6.168) 9.073 3.984 ( 2.106 2.287 -13.055) 13.420 4.106 ( -1.220 -1.024 -7.554) 7.720 4.215 ( 3.879 7.973 2.970) 9.351 4.301 ( 4.142 4.374 -6.750) 9.046 4.421 ( 10.998 -0.889 0.579) 11.049 4.715 ( -7.690 1.851 -0.691) 7.939 4.775 ( -0.988 -6.449 -10.802) 12.619 4.804 ( -0.684 -4.789 -5.758) 7.520 4.876 ( -3.802 -4.560 -4.964) 7.739 4.931 ( -2.282 -10.665 -5.020) 12.006 5.108 ( 5.091 10.029 -4.106) 11.973 5.268 ( -2.336 0.264 7.596) 7.952 5.338 ( 3.338 -2.107 9.917) 10.673 5.476 ( -3.106 0.839 5.428) 6.309 5.581 ( -2.052 -5.339 -1.293) 5.864 5.704 ( -2.479 -5.192 2.051) 6.108 5.815 ( 3.152 -3.161 5.204) 6.856 5.840 ( 5.531 -7.268 6.474) 11.194 6.076 ( 2.651 3.027 -1.570) 4.319 6.093 ( -0.466 0.152 -1.406) 1.489 6.114 ( -2.329 0.641 0.155) 2.421 6.181 ( 0.982 -2.531 1.713) 3.210 6.245 ( -1.808 -6.754 2.099) 7.300 6.309 ( 0.446 -4.651 4.180) 6.270 6.397 ( 2.185 -7.378 0.759) 7.732 6.445 ( 2.186 0.800 -3.422) 4.139 6.664 ( 1.442 2.172 -4.938) 5.584 6.764 ( 1.704 1.535 -2.526) 3.411 6.794 ( -3.892 -5.685 4.910) 8.460 6.842 ( -1.230 6.988 0.516) 7.114 6.945 ( -0.538 -1.191 -0.156) 1.316 6.990 ( -0.860 -2.444 -2.484) 3.590 7.139 ( 4.389 -6.792 1.589) 8.242 7.244 ( -0.755 -3.293 -2.089) 3.972 7.261 ( 1.283 0.484 -0.376) 1.422 7.386 ( -1.823 1.220 1.207) 2.503 7.400 ( -2.183 0.767 2.516) 3.418 7.540 ( -5.151 -1.194 -1.145) 5.410 7.601 ( 4.348 6.402 0.784) 7.778 7.736 ( -0.545 3.789 -5.121) 6.393 7.848 ( -1.101 -1.648 -2.157) 2.929 7.879 ( -0.753 -1.048 -6.393) 6.522 8.215 ( 2.973 8.625 -3.605) 9.810 8.265 ( 0.616 5.810 -3.947) 7.051 8.485 ( 0.755 -2.489 2.130) 3.362 8.603 ( -3.871 -7.892 3.796) 9.575 10.777 ( 0.516 0.709 0.821) 1.201 10.789 ( 0.436 0.689 0.691) 1.069 10.820 ( 0.346 -0.166 2.150) 2.184 10.832 ( 0.309 -0.777 2.256) 2.406 10.886 ( 0.172 0.727 1.511) 1.686 10.890 ( -0.115 0.727 0.801) 1.088 10.899 ( 0.086 0.510 1.950) 2.018 10.959 ( -2.773 -1.142 1.339) 3.284 11.364 ( -0.607 10.091 -5.119) 11.332 11.390 ( -1.327 9.354 -3.648) 10.127 11.543 ( 5.553 1.616 -11.543) 12.910 11.698 ( -2.387 -3.731 -7.031) 8.310 11.879 ( 0.733 0.727 2.534) 2.737 11.906 ( -0.174 -1.602 3.249) 3.626 11.992 ( 1.266 -4.038 5.427) 6.882 12.086 ( -2.587 -8.490 9.288) 12.847 ======================= Grid point 47 (21/60) ======================= q-point: (-0.50 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -13.184 11.452 13.399) 22.012 1.201 ( 13.184 11.452 13.399) 22.012 1.525 ( -11.645 14.588 4.732) 19.256 1.525 ( 11.645 14.588 4.732) 19.256 1.671 ( -1.305 -7.796 4.994) 9.350 1.671 ( 1.305 -7.796 4.994) 9.350 2.104 ( -6.809 -0.372 -4.166) 7.991 2.104 ( 6.809 -0.372 -4.166) 7.991 2.282 ( -4.197 -1.685 -0.901) 4.612 2.282 ( 4.197 -1.685 -0.901) 4.612 2.619 ( -9.066 11.077 0.025) 14.314 2.619 ( 9.066 11.077 0.025) 14.314 2.747 ( -2.985 -0.880 -2.373) 3.914 2.747 ( 2.985 -0.880 -2.373) 3.914 2.894 ( -6.148 1.208 1.265) 6.392 2.894 ( 6.148 1.208 1.265) 6.392 3.249 ( -5.222 8.353 -3.109) 10.330 3.249 ( 5.222 8.353 -3.109) 10.330 3.430 ( -6.351 -0.965 7.686) 10.016 3.430 ( 6.351 -0.965 7.686) 10.016 3.662 ( -5.369 5.429 5.612) 9.476 3.662 ( 5.369 5.429 5.612) 9.476 4.056 ( -4.319 2.142 -13.192) 14.045 4.056 ( 4.319 2.142 -13.192) 14.045 4.317 ( -4.535 6.750 2.262) 8.441 4.317 ( 4.535 6.750 2.262) 8.441 4.577 ( -6.995 2.193 -1.983) 7.594 4.577 ( 6.995 2.193 -1.983) 7.594 4.775 ( -1.767 -10.240 -7.207) 12.647 4.775 ( 1.767 -10.240 -7.207) 12.647 4.873 ( -3.453 -8.237 -4.835) 10.156 4.873 ( 3.453 -8.237 -4.835) 10.156 5.202 ( -4.433 7.644 5.749) 10.542 5.202 ( 4.433 7.644 5.749) 10.542 5.410 ( -4.171 -2.768 4.644) 6.829 5.410 ( 4.171 -2.768 4.644) 6.829 5.608 ( -5.247 -5.719 -3.914) 8.693 5.608 ( 5.247 -5.719 -3.914) 8.693 5.887 ( -1.651 -5.959 8.463) 10.481 5.887 ( 1.651 -5.959 8.463) 10.481 6.070 ( -1.192 3.843 1.142) 4.183 6.070 ( 1.192 3.843 1.142) 4.183 6.147 ( -3.990 -0.157 0.227) 4.000 6.147 ( 3.990 -0.157 0.227) 4.000 6.279 ( -3.301 -6.665 2.411) 7.818 6.279 ( 3.301 -6.665 2.411) 7.818 6.455 ( -2.013 -4.222 -0.454) 4.699 6.455 ( 2.013 -4.222 -0.454) 4.699 6.704 ( -3.847 -1.315 -5.149) 6.560 6.704 ( 3.847 -1.315 -5.149) 6.560 6.811 ( -2.428 3.127 0.072) 3.960 6.811 ( 2.428 3.127 0.072) 3.960 6.963 ( -1.788 -1.060 -1.558) 2.598 6.963 ( 1.788 -1.060 -1.558) 2.598 7.211 ( -2.964 -5.038 0.632) 5.879 7.211 ( 2.964 -5.038 0.632) 5.879 7.305 ( -3.696 2.778 2.590) 5.299 7.305 ( 3.696 2.778 2.590) 5.299 7.445 ( -4.349 -2.029 0.213) 4.804 7.445 ( 4.349 -2.029 0.213) 4.804 7.684 ( -4.335 6.021 -0.593) 7.443 7.684 ( 4.335 6.021 -0.593) 7.443 7.856 ( -1.413 -2.351 -5.597) 6.233 7.856 ( 1.413 -2.351 -5.597) 6.233 8.261 ( -1.447 7.752 -4.499) 9.079 8.261 ( 1.447 7.752 -4.499) 9.079 8.526 ( -3.760 -5.579 3.332) 7.508 8.526 ( 3.760 -5.579 3.332) 7.508 10.788 ( -0.521 0.756 0.597) 1.095 10.788 ( 0.521 0.756 0.597) 1.095 10.832 ( -0.588 -0.955 2.218) 2.485 10.832 ( 0.588 -0.955 2.218) 2.485 10.889 ( -0.167 1.240 1.503) 1.956 10.889 ( 0.167 1.240 1.503) 1.956 10.913 ( -1.688 0.304 1.482) 2.267 10.913 ( 1.688 0.304 1.482) 2.267 11.369 ( -0.923 10.124 -4.074) 10.952 11.369 ( 0.923 10.124 -4.074) 10.952 11.636 ( -4.316 -1.848 -9.173) 10.305 11.636 ( 4.316 -1.848 -9.173) 10.305 11.895 ( -0.891 -0.117 3.193) 3.317 11.895 ( 0.891 -0.117 3.193) 3.317 12.032 ( -2.878 -6.406 6.802) 9.777 12.032 ( 2.878 -6.406 6.802) 9.777 ======================= Grid point 50 (22/60) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 0.000 -14.869 4.028) 15.405 1.397 ( 0.000 14.869 4.028) 15.405 1.649 ( 0.000 -12.535 4.666) 13.375 1.649 ( 0.000 12.535 4.666) 13.375 1.744 ( 0.000 -3.377 0.019) 3.377 1.744 ( 0.000 3.377 0.019) 3.377 2.098 ( 0.000 -12.103 4.685) 12.978 2.098 ( 0.000 12.103 4.685) 12.978 2.198 ( 0.000 -15.438 10.124) 18.461 2.198 ( 0.000 15.438 10.124) 18.461 2.685 ( 0.000 -9.922 -13.788) 16.986 2.685 ( 0.000 9.922 -13.788) 16.986 2.734 ( 0.000 -17.852 13.479) 22.370 2.734 ( 0.000 17.852 13.479) 22.370 2.872 ( 0.000 -8.298 -8.591) 11.944 2.872 ( 0.000 8.298 -8.591) 11.944 3.318 ( 0.000 -7.331 0.024) 7.331 3.318 ( 0.000 7.331 0.024) 7.331 3.562 ( 0.000 -0.806 6.289) 6.340 3.562 ( 0.000 0.806 6.289) 6.340 3.839 ( 0.000 -14.522 -0.806) 14.544 3.839 ( 0.000 14.522 -0.806) 14.544 3.956 ( 0.000 -13.235 -7.375) 15.151 3.956 ( 0.000 13.235 -7.375) 15.151 4.257 ( 0.000 -1.414 -7.274) 7.410 4.257 ( 0.000 1.414 -7.274) 7.410 4.539 ( 0.000 -16.804 6.720) 18.098 4.539 ( 0.000 16.804 6.720) 18.098 4.754 ( 0.000 -2.365 -9.826) 10.107 4.754 ( 0.000 2.365 -9.826) 10.107 4.884 ( 0.000 -2.155 -10.965) 11.175 4.884 ( 0.000 2.155 -10.965) 11.175 5.225 ( 0.000 -5.766 1.666) 6.002 5.225 ( 0.000 5.766 1.666) 6.002 5.436 ( 0.000 -9.357 8.911) 12.921 5.436 ( 0.000 9.357 8.911) 12.921 5.544 ( 0.000 -0.156 3.944) 3.947 5.544 ( 0.000 0.156 3.944) 3.947 5.808 ( 0.000 -5.814 7.903) 9.811 5.808 ( 0.000 5.814 7.903) 9.811 5.993 ( 0.000 -4.084 -2.700) 4.896 5.993 ( 0.000 4.084 -2.700) 4.896 6.175 ( 0.000 -1.493 -0.541) 1.588 6.175 ( 0.000 1.493 -0.541) 1.588 6.232 ( 0.000 -1.440 2.812) 3.160 6.232 ( 0.000 1.440 2.812) 3.160 6.381 ( 0.000 -2.211 6.412) 6.782 6.381 ( 0.000 2.211 6.412) 6.782 6.703 ( 0.000 -3.208 -5.094) 6.020 6.703 ( 0.000 3.208 -5.094) 6.020 6.875 ( 0.000 -8.610 1.308) 8.709 6.875 ( 0.000 8.610 1.308) 8.709 6.957 ( 0.000 -0.573 -1.083) 1.225 6.957 ( 0.000 0.573 -1.083) 1.225 7.074 ( 0.000 -9.734 -1.890) 9.916 7.074 ( 0.000 9.734 -1.890) 9.916 7.325 ( 0.000 -3.230 0.977) 3.375 7.325 ( 0.000 3.230 0.977) 3.375 7.550 ( 0.000 -3.634 0.526) 3.672 7.550 ( 0.000 3.634 0.526) 3.672 7.683 ( 0.000 -5.127 -4.006) 6.507 7.683 ( 0.000 5.127 -4.006) 6.507 7.875 ( 0.000 -0.603 -4.069) 4.114 7.875 ( 0.000 0.603 -4.069) 4.114 8.303 ( 0.000 -1.424 -0.447) 1.492 8.303 ( 0.000 1.424 -0.447) 1.492 8.500 ( 0.000 -4.163 -0.648) 4.213 8.500 ( 0.000 4.163 -0.648) 4.213 10.785 ( 0.000 -0.411 1.209) 1.277 10.785 ( 0.000 0.411 1.209) 1.277 10.821 ( 0.000 -0.106 2.431) 2.433 10.821 ( 0.000 0.106 2.431) 2.433 10.893 ( 0.000 -0.100 0.689) 0.697 10.893 ( 0.000 0.100 0.689) 0.697 10.933 ( 0.000 -2.441 1.535) 2.884 10.933 ( 0.000 2.441 1.535) 2.884 11.503 ( 0.000 -2.200 -8.748) 9.021 11.503 ( 0.000 2.200 -8.748) 9.021 11.583 ( 0.000 -8.669 -4.327) 9.689 11.583 ( 0.000 8.669 -4.327) 9.689 11.884 ( 0.000 -0.325 2.893) 2.911 11.884 ( 0.000 0.325 2.893) 2.911 11.979 ( 0.000 -3.377 6.632) 7.442 11.979 ( 0.000 3.377 6.632) 7.442 ======================= Grid point 52 (23/60) ======================= q-point: ( 0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 0.123 -15.174 6.052) 16.337 1.387 ( 0.123 15.174 6.052) 16.337 1.608 ( -7.878 -4.017 7.366) 11.508 1.608 ( -7.878 4.017 7.366) 11.508 1.738 ( 3.788 -16.113 1.016) 16.584 1.738 ( 3.788 16.113 1.016) 16.584 1.979 ( -6.924 -10.907 2.367) 13.134 1.979 ( -6.924 10.907 2.367) 13.134 2.342 ( 8.789 -12.891 2.786) 15.849 2.342 ( 8.789 12.891 2.786) 15.849 2.627 ( -6.530 -11.369 -9.971) 16.472 2.627 ( -6.530 11.369 -9.971) 16.472 2.780 ( 5.186 -10.684 7.292) 13.936 2.780 ( 5.186 10.684 7.292) 13.936 2.892 ( 1.586 -6.437 -1.358) 6.768 2.892 ( 1.586 6.437 -1.358) 6.768 3.318 ( 0.648 -4.016 0.218) 4.074 3.318 ( 0.648 4.016 0.218) 4.074 3.505 ( -5.843 -2.916 7.359) 9.838 3.505 ( -5.843 2.916 7.359) 9.838 3.860 ( 2.413 -14.851 -3.170) 15.376 3.860 ( 2.413 14.851 -3.170) 15.376 3.949 ( -1.052 -6.567 -7.183) 9.789 3.949 ( -1.052 6.567 -7.183) 9.789 4.344 ( 8.331 -4.862 -5.853) 11.283 4.344 ( 8.331 4.862 -5.853) 11.283 4.546 ( 0.716 -13.704 1.984) 13.865 4.546 ( 0.716 13.704 1.984) 13.865 4.715 ( -3.732 -4.952 -5.677) 8.407 4.715 ( -3.732 4.952 -5.677) 8.407 4.807 ( -6.886 -3.314 -8.002) 11.065 4.807 ( -6.886 3.314 -8.002) 11.065 5.278 ( 4.580 -2.173 0.910) 5.150 5.278 ( 4.580 2.173 0.910) 5.150 5.412 ( -1.751 -5.485 5.914) 8.254 5.412 ( -1.751 5.485 5.914) 8.254 5.581 ( 2.841 -6.048 2.892) 7.281 5.581 ( 2.841 6.048 2.892) 7.281 5.755 ( -5.089 -9.825 7.196) 13.199 5.755 ( -5.089 9.825 7.196) 13.199 6.055 ( 5.735 -2.698 -1.292) 6.468 6.055 ( 5.735 2.698 -1.292) 6.468 6.190 ( 0.933 -0.751 -0.287) 1.232 6.190 ( 0.933 0.751 -0.287) 1.232 6.222 ( -0.108 -3.382 4.492) 5.623 6.222 ( -0.108 3.382 4.492) 5.623 6.364 ( -2.126 -5.329 6.001) 8.302 6.364 ( -2.126 5.329 6.001) 8.302 6.732 ( 2.339 -3.349 -5.400) 6.771 6.732 ( 2.339 3.349 -5.400) 6.771 6.820 ( -3.723 -6.316 -2.946) 7.902 6.820 ( -3.723 6.316 -2.946) 7.902 7.001 ( 3.155 -4.808 0.607) 5.782 7.001 ( 3.155 4.808 0.607) 5.782 7.076 ( -0.106 -9.255 -0.756) 9.286 7.076 ( -0.106 9.255 -0.756) 9.286 7.334 ( 1.332 -3.361 1.304) 3.843 7.334 ( 1.332 3.361 1.304) 3.843 7.487 ( -5.427 -3.913 0.733) 6.730 7.487 ( -5.427 3.913 0.733) 6.730 7.723 ( 3.372 -4.562 -3.216) 6.521 7.723 ( 3.372 4.562 -3.216) 6.521 7.850 ( -2.559 -1.639 -3.820) 4.882 7.850 ( -2.559 1.639 -3.820) 4.882 8.334 ( 3.147 -1.121 -0.761) 3.426 8.334 ( 3.147 1.121 -0.761) 3.426 8.472 ( -2.857 -3.565 -0.848) 4.646 8.472 ( -2.857 3.565 -0.848) 4.646 10.793 ( 0.779 -0.553 1.242) 1.567 10.793 ( 0.779 0.553 1.242) 1.567 10.818 ( -0.276 -0.378 2.098) 2.150 10.818 ( -0.276 0.378 2.098) 2.150 10.897 ( 0.426 -0.155 1.023) 1.119 10.897 ( 0.426 0.155 1.023) 1.119 10.925 ( -0.803 -1.796 1.555) 2.507 10.925 ( -0.803 1.796 1.555) 2.507 11.517 ( 1.384 -4.383 -8.117) 9.328 11.517 ( 1.384 4.383 -8.117) 9.328 11.573 ( -1.024 -8.226 -5.015) 9.688 11.573 ( -1.024 8.226 -5.015) 9.688 11.896 ( 1.275 -1.068 3.468) 3.846 11.896 ( 1.275 1.068 3.468) 3.846 11.963 ( -1.591 -3.015 6.093) 6.982 11.963 ( -1.591 3.015 6.093) 6.982 ======================= Grid point 54 (24/60) ======================= q-point: (-0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -6.834 -12.095 8.972) 16.538 1.448 ( 6.592 -12.061 8.972) 16.414 1.448 ( -6.592 12.061 8.972) 16.414 1.448 ( 6.834 12.095 8.972) 16.538 1.851 ( -7.068 -16.168 -0.084) 17.645 1.851 ( 6.993 -16.160 -0.084) 17.608 1.851 ( -6.993 16.160 -0.084) 17.608 1.851 ( 7.068 16.168 -0.084) 17.645 2.489 ( -7.560 -13.158 -4.977) 15.971 2.489 ( 7.307 -13.123 -4.977) 15.823 2.489 ( -7.307 13.123 -4.977) 15.823 2.489 ( 7.560 13.158 -4.977) 15.971 2.878 ( -3.835 -5.963 3.927) 8.105 2.878 ( 3.549 -5.919 3.927) 7.940 2.878 ( -3.549 5.919 3.927) 7.940 2.878 ( 3.835 5.963 3.927) 8.105 3.380 ( -6.057 -3.970 4.274) 8.409 3.380 ( 1.694 -2.702 4.274) 5.333 3.380 ( -1.694 2.702 4.274) 5.333 3.380 ( 6.057 3.970 4.274) 8.409 3.913 ( -2.396 -14.683 -5.154) 15.745 3.913 ( 2.232 -14.677 -5.154) 15.715 3.913 ( -2.232 14.677 -5.154) 15.715 3.913 ( 2.396 14.683 -5.154) 15.745 4.506 ( -4.635 -9.601 -5.850) 12.161 4.506 ( 0.457 -9.320 -5.850) 11.014 4.506 ( -0.457 9.320 -5.850) 11.014 4.506 ( 4.635 9.601 -5.850) 12.161 4.692 ( -3.259 -7.047 -1.981) 8.013 4.692 ( 2.506 -6.969 -1.981) 7.666 4.692 ( -2.506 6.969 -1.981) 7.666 4.692 ( 3.259 7.047 -1.981) 8.013 5.361 ( -2.793 -5.902 1.941) 6.812 5.361 ( 0.874 -5.751 1.941) 6.133 5.361 ( -0.874 5.751 1.941) 6.133 5.361 ( 2.793 5.902 1.941) 6.813 5.653 ( -4.666 -12.163 4.010) 13.631 5.653 ( 4.014 -12.105 4.010) 13.368 5.653 ( -4.014 12.105 4.010) 13.368 5.653 ( 4.666 12.163 4.010) 13.631 6.151 ( -3.562 -4.553 1.677) 6.019 6.151 ( 2.032 -4.312 1.677) 5.053 6.151 ( -2.032 4.312 1.677) 5.053 6.151 ( 3.562 4.553 1.677) 6.019 6.291 ( -4.752 -8.835 4.652) 11.058 6.291 ( 3.347 -8.673 4.652) 10.395 6.291 ( -3.347 8.673 4.652) 10.395 6.291 ( 4.752 8.835 4.652) 11.058 6.769 ( -1.876 -5.127 -6.043) 8.144 6.769 ( 1.844 -5.124 -6.043) 8.135 6.769 ( -1.844 5.124 -6.043) 8.135 6.769 ( 1.876 5.127 -6.043) 8.144 7.055 ( -2.227 -8.106 0.588) 8.427 7.055 ( 2.180 -8.103 0.588) 8.412 7.055 ( -2.180 8.103 0.588) 8.412 7.055 ( 2.227 8.106 0.588) 8.427 7.388 ( -4.577 -3.737 1.652) 6.135 7.388 ( 4.445 -3.697 1.652) 6.013 7.388 ( -4.445 3.697 1.652) 6.013 7.388 ( 4.577 3.737 1.652) 6.135 7.790 ( -3.300 -4.138 -3.263) 6.218 7.790 ( 1.818 -3.903 -3.263) 5.402 7.790 ( -1.818 3.903 -3.263) 5.402 7.790 ( 3.300 4.138 -3.263) 6.218 8.405 ( -2.353 -6.158 -1.051) 6.675 8.405 ( 0.060 -6.045 -1.051) 6.136 8.405 ( -0.060 6.045 -1.051) 6.136 8.405 ( 2.353 6.158 -1.051) 6.675 10.809 ( -0.537 -1.157 1.520) 1.984 10.809 ( 0.178 -1.128 1.520) 1.901 10.809 ( -0.178 1.128 1.520) 1.901 10.809 ( 0.537 1.157 1.520) 1.984 10.909 ( -0.834 -0.676 1.464) 1.815 10.909 ( 0.512 -0.590 1.464) 1.659 10.909 ( -0.512 0.590 1.464) 1.659 10.909 ( 0.834 0.676 1.464) 1.815 11.547 ( -1.670 -6.870 -6.590) 9.665 11.547 ( 1.666 -6.869 -6.590) 9.664 11.547 ( -1.666 6.869 -6.590) 9.664 11.547 ( 1.670 6.870 -6.590) 9.665 11.928 ( -1.510 -3.414 4.796) 6.078 11.928 ( 0.754 -3.351 4.796) 5.900 11.928 ( -0.754 3.351 4.796) 5.900 11.928 ( 1.510 3.414 4.796) 6.078 ======================= Grid point 70 (25/60) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 0.000 0.000 23.538) 23.538 1.071 ( 0.000 0.000 -1.960) 1.960 1.088 ( 0.000 0.000 24.644) 24.644 1.593 ( 0.000 0.000 -6.050) 6.050 1.716 ( 0.000 0.000 -4.880) 4.880 1.881 ( 0.000 0.000 -0.493) 0.493 1.962 ( 0.000 0.000 -4.213) 4.213 2.065 ( 0.000 0.000 -11.643) 11.643 2.164 ( 0.000 0.000 32.923) 32.923 2.173 ( 0.000 0.000 8.288) 8.288 2.251 ( 0.000 0.000 9.662) 9.662 2.408 ( 0.000 0.000 -8.604) 8.604 2.598 ( 0.000 0.000 0.380) 0.380 2.975 ( 0.000 0.000 11.151) 11.151 2.990 ( 0.000 0.000 -13.904) 13.904 2.991 ( 0.000 0.000 -11.280) 11.280 3.063 ( 0.000 0.000 13.247) 13.247 3.174 ( 0.000 0.000 7.226) 7.226 3.273 ( 0.000 0.000 -16.156) 16.156 3.357 ( 0.000 0.000 7.823) 7.823 3.803 ( 0.000 0.000 -3.408) 3.408 3.856 ( 0.000 0.000 -8.848) 8.848 3.897 ( 0.000 0.000 -7.543) 7.543 4.105 ( 0.000 0.000 13.749) 13.749 4.145 ( 0.000 0.000 2.628) 2.628 4.327 ( 0.000 0.000 7.208) 7.208 4.358 ( 0.000 0.000 5.715) 5.715 4.550 ( 0.000 0.000 2.907) 2.907 4.583 ( 0.000 0.000 4.434) 4.434 4.837 ( 0.000 0.000 8.194) 8.194 4.977 ( 0.000 0.000 -8.448) 8.448 4.992 ( 0.000 0.000 3.017) 3.017 5.085 ( 0.000 0.000 -8.965) 8.965 5.237 ( 0.000 0.000 -22.498) 22.498 5.479 ( 0.000 0.000 5.928) 5.928 5.515 ( 0.000 0.000 1.407) 1.407 5.659 ( 0.000 0.000 -2.931) 2.931 5.663 ( 0.000 0.000 -1.032) 1.032 5.766 ( 0.000 0.000 -10.496) 10.496 5.828 ( 0.000 0.000 4.481) 4.481 5.923 ( 0.000 0.000 -16.212) 16.212 6.021 ( 0.000 0.000 -2.334) 2.334 6.282 ( 0.000 0.000 -2.332) 2.332 6.391 ( 0.000 0.000 -3.885) 3.885 6.406 ( 0.000 0.000 3.980) 3.980 6.494 ( 0.000 0.000 0.565) 0.565 6.553 ( 0.000 0.000 13.028) 13.028 6.589 ( 0.000 0.000 -3.173) 3.173 6.595 ( 0.000 0.000 -0.367) 0.367 6.828 ( 0.000 0.000 -8.619) 8.619 6.857 ( 0.000 0.000 7.561) 7.561 7.008 ( 0.000 0.000 -2.805) 2.805 7.022 ( 0.000 0.000 1.228) 1.228 7.083 ( 0.000 0.000 0.661) 0.661 7.096 ( 0.000 0.000 0.364) 0.364 7.160 ( 0.000 0.000 -0.925) 0.925 7.184 ( 0.000 0.000 -5.604) 5.604 7.230 ( 0.000 0.000 3.688) 3.688 7.362 ( 0.000 0.000 4.797) 4.797 7.532 ( 0.000 0.000 1.968) 1.968 7.616 ( 0.000 0.000 -9.681) 9.681 7.657 ( 0.000 0.000 -0.012) 0.012 7.669 ( 0.000 0.000 0.205) 0.205 7.720 ( 0.000 0.000 -1.116) 1.116 8.030 ( 0.000 0.000 -3.008) 3.008 8.199 ( 0.000 0.000 15.954) 15.954 8.520 ( 0.000 0.000 -4.234) 4.234 9.054 ( 0.000 0.000 -5.008) 5.008 10.777 ( 0.000 0.000 1.186) 1.186 10.792 ( 0.000 0.000 0.858) 0.858 10.800 ( 0.000 0.000 1.562) 1.562 10.852 ( 0.000 0.000 2.712) 2.712 10.874 ( 0.000 0.000 -0.588) 0.588 10.915 ( 0.000 0.000 0.799) 0.799 10.958 ( 0.000 0.000 1.976) 1.976 10.981 ( 0.000 0.000 -2.305) 2.305 10.993 ( 0.000 0.000 4.032) 4.032 11.069 ( 0.000 0.000 -1.554) 1.554 11.226 ( 0.000 0.000 -1.652) 1.652 11.647 ( 0.000 0.000 -8.490) 8.490 11.892 ( 0.000 0.000 3.126) 3.126 12.012 ( 0.000 0.000 0.183) 0.183 12.213 ( 0.000 0.000 7.898) 7.898 12.607 ( 0.000 0.000 -2.842) 2.842 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 2.982 0.000 8.710) 9.206 1.165 ( 3.614 0.000 7.891) 8.679 1.166 ( 8.030 0.000 23.242) 24.590 1.583 ( -11.472 0.000 6.754) 13.312 1.599 ( 2.152 0.000 -1.245) 2.486 1.874 ( -7.769 0.000 3.411) 8.485 1.962 ( 7.041 0.000 -9.311) 11.674 2.100 ( 2.681 0.000 -16.742) 16.955 2.170 ( -2.559 0.000 -1.108) 2.789 2.185 ( -0.039 0.000 -0.441) 0.443 2.332 ( 10.292 0.000 33.193) 34.752 2.489 ( 9.209 0.000 -4.299) 10.162 2.609 ( 2.587 0.000 3.331) 4.218 2.855 ( -11.428 0.000 17.379) 20.800 2.881 ( -8.423 0.000 4.833) 9.711 3.037 ( -4.021 0.000 -12.030) 12.684 3.174 ( -2.768 0.000 -2.896) 4.006 3.189 ( 9.850 0.000 -3.951) 10.613 3.230 ( 0.414 0.000 12.449) 12.455 3.271 ( -1.016 0.000 -13.082) 13.121 3.619 ( -12.227 0.000 -6.231) 13.723 3.678 ( -13.897 0.000 -2.675) 14.152 4.059 ( 9.886 0.000 -3.153) 10.376 4.102 ( -0.621 0.000 3.013) 3.077 4.215 ( 2.649 0.000 4.957) 5.620 4.314 ( -2.467 0.000 5.632) 6.149 4.408 ( 4.306 0.000 7.807) 8.915 4.593 ( 2.228 0.000 4.559) 5.074 4.639 ( 7.127 0.000 8.157) 10.832 4.779 ( -5.004 0.000 7.050) 8.645 4.991 ( 0.527 0.000 -4.939) 4.967 5.047 ( 5.569 0.000 -8.633) 10.273 5.105 ( 1.791 0.000 -9.615) 9.780 5.184 ( -3.472 0.000 -17.958) 18.291 5.469 ( -3.298 0.000 5.042) 6.025 5.558 ( 7.292 0.000 -0.901) 7.347 5.577 ( -7.324 0.000 0.499) 7.341 5.697 ( 2.404 0.000 2.049) 3.158 5.783 ( 1.260 0.000 -16.314) 16.362 5.893 ( 5.904 0.000 1.597) 6.116 6.003 ( 2.563 0.000 -7.620) 8.040 6.073 ( 1.807 0.000 -2.382) 2.990 6.234 ( -5.936 0.000 -1.644) 6.160 6.242 ( -0.675 0.000 -3.092) 3.165 6.392 ( -0.732 0.000 6.448) 6.490 6.452 ( -6.267 0.000 -0.811) 6.319 6.595 ( 5.840 0.000 -1.055) 5.934 6.653 ( 3.833 0.000 1.750) 4.213 6.696 ( 5.130 0.000 2.285) 5.616 6.790 ( -3.499 0.000 -3.404) 4.881 6.830 ( -2.380 0.000 4.629) 5.205 6.952 ( -5.117 0.000 -2.999) 5.931 7.031 ( 0.243 0.000 1.998) 2.013 7.072 ( -1.344 0.000 -1.606) 2.094 7.097 ( 0.801 0.000 -3.069) 3.171 7.166 ( -1.549 0.000 -3.556) 3.879 7.187 ( 1.986 0.000 0.185) 1.994 7.228 ( -0.270 0.000 3.230) 3.241 7.352 ( 0.938 0.000 2.575) 2.741 7.489 ( -3.848 0.000 -1.478) 4.122 7.658 ( 0.186 0.000 0.022) 0.188 7.667 ( -0.184 0.000 0.175) 0.254 7.694 ( 5.168 0.000 -4.222) 6.674 7.731 ( 1.142 0.000 -1.994) 2.298 8.026 ( 0.738 0.000 -0.551) 0.921 8.177 ( -3.204 0.000 12.208) 12.621 8.586 ( 7.090 0.000 -2.493) 7.515 8.956 ( -9.416 0.000 -2.575) 9.762 10.781 ( 0.289 0.000 0.949) 0.992 10.788 ( -0.276 0.000 0.794) 0.840 10.805 ( 0.527 0.000 1.628) 1.712 10.840 ( -1.074 0.000 2.308) 2.546 10.883 ( 0.968 0.000 0.159) 0.981 10.916 ( 0.131 0.000 1.042) 1.050 10.953 ( -0.255 0.000 2.607) 2.619 10.990 ( -0.850 0.000 3.851) 3.944 10.998 ( 1.629 0.000 -1.961) 2.549 11.059 ( -1.104 0.000 -1.563) 1.914 11.309 ( 7.961 0.000 -4.811) 9.302 11.596 ( -5.170 0.000 -8.104) 9.613 11.918 ( 2.356 0.000 2.654) 3.549 12.001 ( -1.285 0.000 1.086) 1.682 12.247 ( 3.917 0.000 6.665) 7.731 12.519 ( -8.250 0.000 0.318) 8.257 ======================= Grid point 72 (27/60) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -4.736 0.000 5.327) 7.128 1.146 ( 4.736 0.000 5.327) 7.128 1.358 ( -12.058 0.000 17.238) 21.037 1.358 ( 12.058 0.000 17.238) 21.037 1.711 ( -8.962 0.000 5.549) 10.541 1.711 ( 8.962 0.000 5.549) 10.541 2.087 ( -5.865 0.000 -12.141) 13.484 2.087 ( 5.865 0.000 -12.141) 13.484 2.153 ( -2.872 0.000 -13.412) 13.716 2.153 ( 2.872 0.000 -13.412) 13.716 2.593 ( -16.121 0.000 30.080) 34.128 2.593 ( 16.121 0.000 30.080) 34.128 2.716 ( -8.404 0.000 7.785) 11.456 2.716 ( 8.404 0.000 7.785) 11.456 2.736 ( -17.300 0.000 -2.071) 17.423 2.736 ( 17.300 0.000 -2.071) 17.423 3.235 ( -2.773 0.000 -9.914) 10.294 3.235 ( 2.773 0.000 -9.914) 10.294 3.394 ( -11.943 0.000 -6.593) 13.642 3.394 ( 11.943 0.000 -6.593) 13.642 3.402 ( -14.775 0.000 -0.456) 14.782 3.402 ( 14.775 0.000 -0.456) 14.782 4.148 ( -5.024 0.000 4.568) 6.791 4.148 ( 5.024 0.000 4.568) 6.791 4.220 ( -7.307 0.000 1.213) 7.407 4.220 ( 7.307 0.000 1.213) 7.407 4.588 ( -10.515 0.000 9.617) 14.250 4.588 ( 10.515 0.000 9.617) 14.250 4.675 ( -5.821 0.000 6.008) 8.365 4.675 ( 5.821 0.000 6.008) 8.365 5.090 ( -7.513 0.000 -14.587) 16.409 5.090 ( 7.513 0.000 -14.587) 16.409 5.120 ( -1.323 0.000 -10.502) 10.585 5.120 ( 1.323 0.000 -10.502) 10.585 5.461 ( -3.595 0.000 5.360) 6.454 5.461 ( 3.595 0.000 5.360) 6.454 5.692 ( -4.784 0.000 -6.431) 8.015 5.692 ( 4.784 0.000 -6.431) 8.015 5.858 ( -9.348 0.000 0.697) 9.374 5.858 ( 9.348 0.000 0.697) 9.374 6.012 ( -6.244 0.000 -1.439) 6.407 6.012 ( 6.244 0.000 -1.439) 6.407 6.323 ( -7.093 0.000 -2.869) 7.651 6.323 ( 7.093 0.000 -2.869) 7.651 6.331 ( -7.059 0.000 -3.157) 7.733 6.331 ( 7.059 0.000 -3.157) 7.733 6.705 ( -4.806 0.000 4.890) 6.856 6.705 ( 4.806 0.000 4.890) 6.856 6.707 ( -4.104 0.000 0.598) 4.147 6.707 ( 4.104 0.000 0.598) 4.147 6.849 ( -5.163 0.000 -2.636) 5.797 6.849 ( 5.163 0.000 -2.636) 5.797 7.046 ( -1.465 0.000 -1.381) 2.013 7.046 ( 1.465 0.000 -1.381) 2.013 7.130 ( -2.249 0.000 -2.406) 3.293 7.130 ( 2.249 0.000 -2.406) 3.293 7.216 ( -1.105 0.000 1.938) 2.231 7.216 ( 1.105 0.000 1.938) 2.231 7.408 ( -4.403 0.000 -0.662) 4.452 7.408 ( 4.403 0.000 -0.662) 4.452 7.663 ( -0.267 0.000 0.101) 0.285 7.663 ( 0.267 0.000 0.101) 0.285 7.745 ( -0.535 0.000 -3.214) 3.258 7.745 ( 0.535 0.000 -3.214) 3.258 8.087 ( -5.399 0.000 5.761) 7.896 8.087 ( 5.399 0.000 5.761) 7.896 8.759 ( -10.851 0.000 -0.816) 10.882 8.759 ( 10.851 0.000 -0.816) 10.882 10.784 ( -0.166 0.000 0.740) 0.759 10.784 ( 0.166 0.000 0.740) 0.759 10.820 ( -1.004 0.000 1.854) 2.108 10.820 ( 1.004 0.000 1.854) 2.108 10.906 ( -1.241 0.000 0.879) 1.521 10.906 ( 1.241 0.000 0.879) 1.521 10.965 ( -1.477 0.000 3.418) 3.723 10.965 ( 1.477 0.000 3.418) 3.723 11.031 ( -1.804 0.000 -1.649) 2.444 11.031 ( 1.804 0.000 -1.649) 2.444 11.469 ( -8.321 0.000 -7.488) 11.195 11.469 ( 8.321 0.000 -7.488) 11.195 11.965 ( -2.493 0.000 2.160) 3.299 11.965 ( 2.493 0.000 2.160) 3.299 12.359 ( -8.016 0.000 4.206) 9.052 12.359 ( 8.016 0.000 4.206) 9.052 ======================= Grid point 75 (28/60) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 0.000 7.025 21.746) 22.853 1.261 ( 0.000 14.432 21.140) 25.597 1.325 ( 0.000 19.423 -0.196) 19.424 1.649 ( 0.000 2.236 -1.249) 2.561 1.747 ( 0.000 6.364 -5.294) 8.278 1.887 ( 0.000 1.444 1.524) 2.099 2.055 ( 0.000 6.715 -5.230) 8.512 2.076 ( 0.000 -1.257 3.565) 3.780 2.115 ( 0.000 -3.578 -0.273) 3.589 2.208 ( 0.000 1.384 -5.673) 5.839 2.355 ( 0.000 11.843 30.879) 33.072 2.412 ( 0.000 0.271 -13.852) 13.854 2.600 ( 0.000 0.548 8.256) 8.274 2.952 ( 0.000 -1.784 3.774) 4.175 2.976 ( 0.000 -0.459 9.485) 9.497 3.071 ( 0.000 4.742 5.155) 7.005 3.089 ( 0.000 8.357 -11.493) 14.210 3.116 ( 0.000 -8.102 1.747) 8.288 3.225 ( 0.000 -2.741 -14.352) 14.611 3.485 ( 0.000 9.959 0.749) 9.987 3.841 ( 0.000 1.723 -8.025) 8.208 3.845 ( 0.000 -4.073 -6.063) 7.304 3.916 ( 0.000 5.400 -8.183) 9.804 4.017 ( 0.000 -11.376 7.054) 13.385 4.140 ( 0.000 1.625 4.486) 4.772 4.180 ( 0.000 -2.804 11.369) 11.709 4.437 ( 0.000 -2.412 4.818) 5.388 4.592 ( 0.000 3.796 -2.405) 4.494 4.684 ( 0.000 7.060 8.256) 10.863 4.741 ( 0.000 -10.896 -8.988) 14.125 4.892 ( 0.000 4.987 5.813) 7.659 4.983 ( 0.000 -4.772 -1.403) 4.974 5.118 ( 0.000 1.008 0.532) 1.140 5.369 ( 0.000 7.431 -18.743) 20.162 5.474 ( 0.000 -1.682 5.861) 6.098 5.495 ( 0.000 0.610 -1.753) 1.856 5.603 ( 0.000 -7.017 -6.196) 9.361 5.670 ( 0.000 0.064 -1.930) 1.931 5.812 ( 0.000 3.545 -5.644) 6.665 5.820 ( 0.000 1.342 0.549) 1.449 5.906 ( 0.000 -1.078 -5.388) 5.494 6.020 ( 0.000 0.423 -1.388) 1.451 6.278 ( 0.000 -0.839 -5.972) 6.030 6.343 ( 0.000 -0.619 -2.255) 2.338 6.391 ( 0.000 -1.857 9.589) 9.768 6.392 ( 0.000 -9.868 -0.761) 9.897 6.541 ( 0.000 -0.896 12.033) 12.067 6.550 ( 0.000 -4.449 -4.149) 6.083 6.579 ( 0.000 -1.793 2.702) 3.242 6.797 ( 0.000 -2.689 -2.281) 3.526 6.826 ( 0.000 -1.311 5.826) 5.972 6.933 ( 0.000 -2.911 -10.352) 10.754 7.002 ( 0.000 -1.750 0.966) 1.999 7.020 ( 0.000 -4.661 -2.193) 5.152 7.094 ( 0.000 -2.381 2.604) 3.529 7.186 ( 0.000 5.124 2.415) 5.664 7.244 ( 0.000 3.764 -1.046) 3.907 7.352 ( 0.000 5.245 -0.657) 5.286 7.479 ( 0.000 -2.622 0.656) 2.702 7.486 ( 0.000 6.499 0.872) 6.557 7.570 ( 0.000 -1.836 -4.247) 4.627 7.631 ( 0.000 -1.454 2.815) 3.168 7.746 ( 0.000 6.177 -4.742) 7.787 7.755 ( 0.000 1.845 -2.377) 3.009 8.067 ( 0.000 3.648 -4.477) 5.776 8.178 ( 0.000 -1.449 13.517) 13.594 8.496 ( 0.000 -2.123 -4.846) 5.290 8.909 ( 0.000 -11.684 -2.288) 11.906 10.783 ( 0.000 0.637 1.389) 1.528 10.785 ( 0.000 0.543 1.131) 1.255 10.850 ( 0.000 1.986 2.969) 3.572 10.853 ( 0.000 -1.238 -0.699) 1.421 10.906 ( 0.000 0.332 1.396) 1.435 10.946 ( 0.000 -1.098 2.311) 2.558 10.951 ( 0.000 -0.536 1.604) 1.691 11.006 ( 0.000 12.064 -4.065) 12.731 11.044 ( 0.000 0.972 1.455) 1.750 11.134 ( 0.000 6.087 -3.009) 6.790 11.250 ( 0.000 2.830 -2.938) 4.079 11.629 ( 0.000 -1.781 -8.551) 8.734 11.901 ( 0.000 0.923 3.188) 3.319 11.993 ( 0.000 -1.665 0.882) 1.884 12.180 ( 0.000 -2.995 7.514) 8.089 12.485 ( 0.000 -10.345 0.997) 10.393 ======================= Grid point 76 (29/60) ======================= q-point: ( 0.25 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 6.273 5.756 22.985) 24.511 1.279 ( 3.272 16.403 10.048) 19.512 1.373 ( 2.375 15.505 5.820) 16.731 1.570 ( -8.147 2.173 5.596) 10.120 1.735 ( -0.799 7.894 -1.576) 8.090 1.866 ( -2.448 1.321 3.133) 4.190 1.984 ( -0.929 -0.844 3.229) 3.465 2.102 ( -0.135 -1.110 -12.039) 12.091 2.153 ( 0.710 0.453 -10.264) 10.299 2.175 ( -3.732 0.430 -6.059) 7.129 2.437 ( 7.473 1.388 10.336) 12.830 2.494 ( 10.830 7.741 11.099) 17.332 2.640 ( 4.451 3.106 8.197) 9.830 2.849 ( -10.033 -0.991 12.273) 15.883 2.909 ( -6.668 1.447 5.459) 8.738 3.091 ( 1.272 2.097 -12.913) 13.144 3.098 ( -4.369 4.734 -3.161) 7.176 3.168 ( 4.556 -4.620 12.677) 14.241 3.228 ( 1.868 -0.874 -11.114) 11.304 3.422 ( -0.333 12.280 -3.108) 12.672 3.670 ( -10.493 2.880 -8.145) 13.592 3.736 ( -13.037 4.603 -3.752) 14.326 3.916 ( 0.639 -7.053 -1.621) 7.265 3.984 ( -1.737 -9.872 5.906) 11.635 4.234 ( 9.380 -0.177 -3.362) 9.966 4.375 ( 11.016 0.801 11.270) 15.780 4.463 ( 2.152 3.250 5.661) 6.874 4.554 ( -2.731 1.000 -0.170) 2.913 4.714 ( 2.379 2.567 5.119) 6.201 4.806 ( 4.949 -9.666 -11.587) 15.880 4.870 ( -1.937 3.190 3.887) 5.389 4.931 ( -6.526 -3.428 1.049) 7.446 5.120 ( 3.452 0.160 -3.030) 4.596 5.362 ( -2.563 8.175 -13.311) 15.830 5.437 ( -1.821 -2.468 -0.080) 3.068 5.522 ( 0.480 -2.170 1.128) 2.492 5.561 ( -1.765 -1.862 -7.814) 8.225 5.671 ( -0.407 -4.699 7.087) 8.513 5.843 ( 3.670 5.425 -5.690) 8.676 5.882 ( 4.120 0.362 -7.163) 8.271 5.976 ( 6.461 -0.323 -2.454) 6.919 6.078 ( 3.371 -0.288 -1.522) 3.710 6.231 ( -3.579 -1.101 -4.874) 6.146 6.280 ( -5.205 2.322 4.477) 7.248 6.321 ( -1.253 -3.892 3.049) 5.100 6.438 ( -3.116 -2.038 -2.555) 4.516 6.509 ( 3.264 -6.794 0.589) 7.561 6.564 ( 0.045 -6.423 6.798) 9.353 6.653 ( 4.188 -4.751 1.551) 6.521 6.753 ( -3.362 -1.001 0.183) 3.512 6.853 ( 1.090 0.772 4.421) 4.619 6.890 ( -2.498 -3.590 -5.763) 7.235 6.970 ( -1.578 -5.485 -1.984) 6.042 7.012 ( -2.325 -3.703 2.243) 4.915 7.120 ( 1.364 1.590 -5.747) 6.116 7.163 ( -1.518 4.958 -2.410) 5.718 7.291 ( 3.778 2.729 2.567) 5.320 7.362 ( 0.239 6.201 1.146) 6.310 7.406 ( -1.499 1.648 0.811) 2.371 7.508 ( -2.878 2.879 -2.486) 4.770 7.588 ( 2.966 -2.517 1.138) 4.053 7.644 ( 0.446 -0.725 1.794) 1.985 7.756 ( 0.740 1.960 -2.608) 3.345 7.767 ( 1.183 3.965 -4.167) 5.873 8.061 ( 0.410 3.615 -2.043) 4.172 8.167 ( -2.054 -0.320 9.556) 9.780 8.546 ( 5.416 -3.625 -3.467) 7.382 8.836 ( -7.112 -9.905 -1.492) 12.285 10.783 ( 0.110 0.283 0.952) 0.999 10.787 ( 0.074 0.667 0.995) 1.200 10.852 ( 0.303 2.349 2.551) 3.481 10.867 ( 1.340 -0.904 0.113) 1.621 10.904 ( -1.681 2.314 1.257) 3.124 10.915 ( -1.155 0.815 0.901) 1.676 10.946 ( -0.132 -0.427 2.132) 2.179 10.981 ( -1.103 1.611 2.994) 3.574 11.077 ( 1.877 6.358 -2.083) 6.949 11.138 ( -0.596 6.815 -3.012) 7.474 11.322 ( 7.207 1.362 -5.761) 9.326 11.583 ( -4.652 -1.246 -8.360) 9.648 11.921 ( 1.892 0.436 2.905) 3.494 11.987 ( -0.827 -1.175 1.610) 2.158 12.206 ( 3.033 -3.768 6.582) 8.168 12.420 ( -6.224 -8.596 2.578) 10.921 ======================= Grid point 77 (30/60) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -5.240 13.424 12.308) 18.951 1.332 ( 5.240 13.424 12.308) 18.951 1.398 ( -8.002 5.526 9.762) 13.779 1.398 ( 8.002 5.526 9.762) 13.779 1.775 ( -5.310 4.786 6.980) 9.991 1.775 ( 5.310 4.786 6.980) 9.991 2.053 ( -6.005 -3.883 -7.332) 10.242 2.053 ( 6.005 -3.883 -7.332) 10.242 2.135 ( -1.161 0.655 -14.580) 14.641 2.135 ( 1.161 0.655 -14.580) 14.641 2.620 ( -9.821 -2.222 9.678) 13.966 2.620 ( 9.821 -2.222 9.678) 13.966 2.724 ( -2.756 3.853 8.195) 9.465 2.724 ( 2.756 3.853 8.195) 9.465 2.844 ( -10.623 10.744 10.616) 18.466 2.844 ( 10.623 10.744 10.616) 18.466 3.161 ( -2.917 -3.939 -7.289) 8.784 3.161 ( 2.917 -3.939 -7.289) 8.784 3.426 ( -14.892 3.186 0.939) 15.258 3.426 ( 14.892 3.186 0.939) 15.258 3.528 ( -8.945 8.300 -11.153) 16.531 3.528 ( 8.945 8.300 -11.153) 16.531 3.942 ( -2.466 -9.688 4.227) 10.854 3.942 ( 2.466 -9.688 4.227) 10.854 4.394 ( -7.114 3.616 -5.698) 9.806 4.394 ( 7.114 3.616 -5.698) 9.806 4.539 ( -3.441 1.159 15.136) 15.566 4.539 ( 3.441 1.159 15.136) 15.566 4.758 ( -4.742 2.632 1.282) 5.573 4.758 ( 4.742 2.632 1.282) 5.573 4.876 ( -0.905 -9.677 -9.046) 13.277 4.876 ( 0.905 -9.677 -9.046) 13.277 5.244 ( -8.331 3.185 -4.649) 10.058 5.244 ( 8.331 3.185 -4.649) 10.058 5.457 ( -3.162 -0.226 -3.660) 4.842 5.457 ( 3.162 -0.226 -3.660) 4.842 5.630 ( -4.317 -4.961 2.093) 6.901 5.630 ( 4.317 -4.961 2.093) 6.901 5.903 ( -2.368 4.828 -4.741) 7.169 5.903 ( 2.368 4.828 -4.741) 7.169 6.069 ( -3.059 3.048 0.529) 4.350 6.069 ( 3.059 3.048 0.529) 4.350 6.228 ( -2.837 -6.632 -0.180) 7.216 6.228 ( 2.837 -6.632 -0.180) 7.216 6.349 ( -4.765 0.748 -4.635) 6.690 6.349 ( 4.765 0.748 -4.635) 6.690 6.555 ( -0.590 -7.392 4.982) 8.934 6.555 ( 0.590 -7.392 4.982) 8.934 6.713 ( -2.110 -3.681 0.965) 4.351 6.713 ( 2.110 -3.681 0.965) 4.351 6.853 ( -1.277 -0.169 -0.413) 1.352 6.853 ( 1.277 -0.169 -0.413) 1.352 6.970 ( -1.759 -5.420 -0.138) 5.700 6.970 ( 1.759 -5.420 -0.138) 5.700 7.140 ( -1.079 4.314 -5.766) 7.282 7.140 ( 1.079 4.314 -5.766) 7.282 7.344 ( -1.690 3.537 3.142) 5.024 7.344 ( 1.690 3.537 3.142) 5.024 7.440 ( -3.702 2.965 -1.306) 4.919 7.440 ( 3.702 2.965 -1.306) 4.919 7.633 ( -1.638 -0.748 1.536) 2.367 7.633 ( 1.638 -0.748 1.536) 2.367 7.773 ( -0.716 1.781 -2.910) 3.486 7.773 ( 0.716 1.781 -2.910) 3.486 8.104 ( -3.870 2.137 3.016) 5.351 8.104 ( 3.870 2.137 3.016) 5.351 8.682 ( -8.678 -6.667 -1.420) 11.035 8.682 ( 8.678 -6.667 -1.420) 11.035 10.786 ( -0.143 0.413 0.727) 0.848 10.786 ( 0.143 0.413 0.727) 0.848 10.867 ( -1.406 3.126 1.978) 3.958 10.867 ( 1.406 3.126 1.978) 3.958 10.896 ( -1.545 -0.652 0.655) 1.800 10.896 ( 1.545 -0.652 0.655) 1.800 10.959 ( -1.222 0.016 3.521) 3.727 10.959 ( 1.222 0.016 3.521) 3.727 11.112 ( -1.879 6.841 -2.735) 7.603 11.112 ( 1.879 6.841 -2.735) 7.603 11.467 ( -7.634 -0.127 -7.969) 11.036 11.467 ( 7.634 -0.127 -7.969) 11.036 11.959 ( -2.027 -0.344 2.541) 3.269 11.959 ( 2.027 -0.344 2.541) 3.269 12.295 ( -6.393 -5.744 4.795) 9.842 12.295 ( 6.393 -5.744 4.795) 9.842 ======================= Grid point 80 (31/60) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 0.000 10.787 16.695) 19.877 1.520 ( 0.000 9.449 16.167) 18.726 1.711 ( 0.000 3.999 4.379) 5.930 1.730 ( 0.000 15.579 -1.591) 15.660 1.816 ( 0.000 -1.469 2.974) 3.317 1.936 ( 0.000 -0.719 7.174) 7.210 1.997 ( 0.000 -1.798 13.269) 13.391 2.104 ( 0.000 5.135 -0.057) 5.135 2.169 ( 0.000 1.585 -14.735) 14.820 2.260 ( 0.000 3.156 -11.814) 12.228 2.409 ( 0.000 -1.102 -19.231) 19.262 2.558 ( 0.000 7.644 5.835) 9.617 2.757 ( 0.000 11.972 25.817) 28.458 2.832 ( 0.000 -11.466 16.733) 20.284 2.921 ( 0.000 -5.149 5.362) 7.433 3.050 ( 0.000 10.347 -1.425) 10.445 3.180 ( 0.000 -0.320 -2.818) 2.836 3.283 ( 0.000 12.426 -7.112) 14.318 3.302 ( 0.000 8.666 -14.762) 17.118 3.630 ( 0.000 3.491 -8.255) 8.963 3.703 ( 0.000 -16.676 -2.032) 16.799 3.780 ( 0.000 -1.171 -7.120) 7.216 3.831 ( 0.000 -3.214 -8.123) 8.736 4.046 ( 0.000 6.382 -8.617) 10.723 4.112 ( 0.000 -9.581 6.528) 11.594 4.280 ( 0.000 -7.519 2.809) 8.027 4.290 ( 0.000 13.252 9.728) 16.439 4.575 ( 0.000 -4.947 -9.788) 10.967 4.669 ( 0.000 3.030 -0.299) 3.044 4.775 ( 0.000 1.108 6.494) 6.588 4.908 ( 0.000 -3.635 4.039) 5.434 5.036 ( 0.000 9.342 2.679) 9.719 5.063 ( 0.000 -9.113 8.307) 12.331 5.382 ( 0.000 -6.132 -8.554) 10.525 5.438 ( 0.000 -1.610 -3.697) 4.032 5.492 ( 0.000 4.111 2.890) 5.025 5.534 ( 0.000 2.977 -0.359) 2.999 5.706 ( 0.000 0.794 -9.973) 10.005 5.750 ( 0.000 -6.133 -4.169) 7.416 5.805 ( 0.000 -5.984 -6.926) 9.153 6.037 ( 0.000 11.117 9.650) 14.721 6.097 ( 0.000 7.246 3.694) 8.133 6.178 ( 0.000 -7.714 1.040) 7.784 6.243 ( 0.000 -4.597 -1.531) 4.846 6.345 ( 0.000 -0.487 2.629) 2.673 6.381 ( 0.000 3.195 8.133) 8.739 6.483 ( 0.000 -7.573 7.578) 10.714 6.493 ( 0.000 0.544 -10.339) 10.354 6.532 ( 0.000 -0.318 8.656) 8.662 6.709 ( 0.000 -5.853 0.041) 5.853 6.853 ( 0.000 3.953 1.562) 4.250 6.891 ( 0.000 -0.515 -6.864) 6.883 6.949 ( 0.000 -4.116 -8.120) 9.103 6.964 ( 0.000 -1.440 -1.439) 2.036 6.997 ( 0.000 -6.466 4.199) 7.710 7.203 ( 0.000 -6.597 -0.008) 6.597 7.295 ( 0.000 4.468 2.642) 5.190 7.379 ( 0.000 -0.790 0.208) 0.817 7.505 ( 0.000 2.690 -4.123) 4.923 7.539 ( 0.000 0.698 1.295) 1.471 7.590 ( 0.000 2.240 -3.300) 3.989 7.629 ( 0.000 1.010 4.773) 4.879 7.786 ( 0.000 1.826 -2.039) 2.737 7.860 ( 0.000 2.519 -2.135) 3.302 8.166 ( 0.000 5.302 -6.145) 8.117 8.188 ( 0.000 3.515 4.394) 5.627 8.445 ( 0.000 -2.325 -5.320) 5.806 8.662 ( 0.000 -11.467 -1.494) 11.564 10.800 ( 0.000 0.874 1.595) 1.819 10.803 ( 0.000 0.898 0.960) 1.314 10.844 ( 0.000 0.388 -0.261) 0.468 10.877 ( 0.000 0.185 2.656) 2.662 10.914 ( 0.000 0.752 2.256) 2.378 10.934 ( 0.000 -0.335 3.119) 3.137 10.943 ( 0.000 0.112 1.607) 1.611 11.021 ( 0.000 -2.469 2.072) 3.223 11.239 ( 0.000 8.851 -7.689) 11.725 11.277 ( 0.000 6.429 -5.437) 8.420 11.338 ( 0.000 5.487 -4.532) 7.116 11.573 ( 0.000 -3.789 -8.288) 9.113 11.933 ( 0.000 2.112 3.529) 4.113 11.960 ( 0.000 -1.056 2.726) 2.923 12.107 ( 0.000 -3.398 6.525) 7.357 12.260 ( 0.000 -10.299 4.619) 11.288 ======================= Grid point 81 (32/60) ======================= q-point: ( 0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 4.126 9.335 16.669) 19.545 1.542 ( 2.205 7.672 11.806) 14.251 1.661 ( -6.346 7.564 3.021) 10.326 1.708 ( -2.279 10.709 3.693) 11.555 1.795 ( -0.643 -0.274 4.407) 4.462 1.922 ( -5.019 -0.858 12.234) 13.252 1.961 ( 0.805 0.623 6.239) 6.322 2.088 ( -2.431 1.679 -4.306) 5.222 2.138 ( -1.802 -0.010 -11.266) 11.409 2.248 ( -2.387 4.586 -9.963) 11.225 2.406 ( 3.210 -1.114 -10.579) 11.111 2.637 ( 0.323 -1.662 0.809) 1.876 2.734 ( 0.411 -3.516 7.336) 8.146 2.839 ( 5.495 14.939 22.030) 27.179 3.005 ( 5.058 -6.014 8.034) 11.238 3.040 ( -1.655 9.702 1.485) 9.954 3.194 ( -0.572 2.607 -5.357) 5.986 3.249 ( -0.565 8.035 -4.176) 9.073 3.336 ( 2.759 9.893 -7.985) 13.009 3.623 ( -0.046 6.259 -7.570) 9.822 3.677 ( -7.357 -1.729 -5.913) 9.596 3.718 ( 0.801 -10.161 -3.638) 10.823 3.830 ( -1.764 -3.184 -2.516) 4.425 3.848 ( -10.710 0.622 -8.781) 13.863 4.274 ( 6.941 2.961 1.817) 7.762 4.338 ( 9.370 -4.108 2.258) 10.477 4.422 ( 8.759 -2.591 4.022) 9.980 4.553 ( -2.740 -2.769 -8.152) 9.034 4.666 ( 0.351 -0.006 -0.765) 0.842 4.739 ( -3.555 -0.178 6.713) 7.598 4.864 ( -3.098 -2.339 2.921) 4.858 4.954 ( -8.084 -3.449 6.851) 11.144 5.151 ( 7.990 5.116 3.218) 10.019 5.375 ( -0.189 -3.542 -1.939) 4.042 5.429 ( -0.672 -1.566 -6.059) 6.294 5.500 ( -0.968 4.455 -4.781) 6.606 5.550 ( 0.175 1.371 -0.667) 1.535 5.582 ( -6.257 -3.353 1.644) 7.287 5.809 ( 5.901 -7.479 -4.803) 10.669 5.917 ( 5.396 -3.149 -10.961) 12.617 6.042 ( 0.734 2.277 7.412) 7.789 6.096 ( 0.480 7.237 3.684) 8.135 6.183 ( 0.713 -1.044 0.766) 1.478 6.268 ( -2.123 -2.074 4.227) 5.165 6.348 ( -0.015 2.894 5.762) 6.448 6.368 ( 2.925 -1.782 0.475) 3.458 6.426 ( -2.379 -3.763 0.734) 4.512 6.486 ( -2.581 1.659 -2.384) 3.886 6.555 ( 2.450 -3.817 6.926) 8.279 6.708 ( -0.634 -4.127 -1.139) 4.328 6.810 ( -6.306 -4.172 -4.540) 8.819 6.843 ( -3.309 -3.853 -1.069) 5.190 6.920 ( 2.101 3.294 -1.232) 4.097 6.962 ( -1.195 -1.153 0.601) 1.766 7.094 ( 5.628 -4.413 -4.621) 8.515 7.197 ( -0.737 -4.006 -1.474) 4.332 7.318 ( 2.409 2.518 3.924) 5.248 7.395 ( 1.834 -1.262 0.203) 2.236 7.445 ( -3.863 2.433 -0.238) 4.571 7.513 ( -3.432 -0.985 -1.787) 3.993 7.629 ( 3.657 3.722 0.738) 5.270 7.669 ( 2.590 2.110 2.089) 3.940 7.778 ( -0.593 0.903 -2.034) 2.304 7.839 ( -2.249 1.284 -0.817) 2.715 8.167 ( 0.867 6.314 -4.166) 7.614 8.207 ( 0.729 4.816 1.265) 5.032 8.457 ( 1.804 -4.540 -4.928) 6.939 8.618 ( -4.380 -10.536 -1.746) 11.543 10.798 ( 0.158 1.038 0.989) 1.443 10.809 ( 0.116 1.294 1.199) 1.768 10.852 ( 0.837 -0.511 0.370) 1.048 10.878 ( -0.009 -0.354 1.992) 2.023 10.919 ( -0.100 1.158 2.179) 2.470 10.930 ( 0.470 0.335 2.977) 3.032 10.945 ( 0.021 0.263 2.077) 2.094 10.996 ( -2.029 -0.873 2.781) 3.552 11.245 ( 0.985 8.101 -5.677) 9.941 11.299 ( -0.304 7.911 -5.564) 9.676 11.361 ( 4.082 2.003 -6.878) 8.245 11.541 ( -3.319 -3.087 -8.388) 9.534 11.942 ( 1.026 1.633 3.557) 4.046 11.970 ( 0.589 0.167 3.087) 3.147 12.112 ( 0.941 -4.723 6.137) 7.801 12.226 ( -3.398 -9.247 4.833) 10.973 ======================= Grid point 82 (33/60) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -9.170 6.637 12.865) 17.136 1.490 ( 9.170 6.637 12.865) 17.136 1.624 ( -5.220 8.518 4.306) 10.879 1.624 ( 5.220 8.518 4.306) 10.879 1.831 ( -3.949 0.181 10.464) 11.186 1.831 ( 3.949 0.181 10.464) 11.186 2.007 ( -4.063 -0.833 -3.726) 5.575 2.007 ( 4.063 -0.833 -3.726) 5.575 2.177 ( -4.331 4.537 -8.110) 10.253 2.177 ( 4.331 4.537 -8.110) 10.253 2.518 ( -7.823 -6.869 -1.638) 10.539 2.518 ( 7.823 -6.869 -1.638) 10.539 2.847 ( -6.054 7.513 3.982) 10.438 2.847 ( 6.054 7.513 3.982) 10.438 3.059 ( -1.475 2.779 10.274) 10.745 3.059 ( 1.475 2.779 10.274) 10.745 3.181 ( -2.918 10.890 -2.532) 11.555 3.181 ( 2.918 10.890 -2.532) 11.555 3.492 ( -11.765 1.925 -1.657) 12.036 3.492 ( 11.765 1.925 -1.657) 12.036 3.668 ( -3.977 4.736 -11.587) 13.135 3.668 ( 3.977 4.736 -11.587) 13.135 3.788 ( -2.453 -5.807 -3.400) 7.163 3.788 ( 2.453 -5.807 -3.400) 7.163 4.397 ( -5.909 0.326 -4.246) 7.283 4.397 ( 5.909 0.326 -4.246) 7.283 4.537 ( -4.138 -5.740 3.909) 8.084 4.537 ( 4.138 -5.740 3.909) 8.084 4.672 ( -1.122 -1.948 2.077) 3.061 4.672 ( 1.122 -1.948 2.077) 3.061 4.839 ( -2.032 -1.441 3.558) 4.344 4.839 ( 2.032 -1.441 3.558) 4.344 5.306 ( -7.901 4.080 2.189) 9.158 5.306 ( 7.901 4.080 2.189) 9.158 5.438 ( -2.160 -1.569 -8.960) 9.349 5.438 ( 2.160 -1.569 -8.960) 9.349 5.552 ( -0.855 -0.911 5.130) 5.280 5.552 ( 0.855 -0.911 5.130) 5.280 5.916 ( -4.651 -8.552 -8.532) 12.945 5.916 ( 4.651 -8.552 -8.532) 12.945 6.088 ( -3.080 3.482 5.828) 7.455 6.088 ( 3.080 3.482 5.828) 7.455 6.199 ( -2.463 3.224 3.149) 5.136 6.199 ( 2.463 3.224 3.149) 5.136 6.385 ( -2.567 1.737 -4.198) 5.218 6.385 ( 2.567 1.737 -4.198) 5.218 6.439 ( -2.899 -2.491 5.670) 6.838 6.439 ( 2.899 -2.491 5.670) 6.838 6.627 ( -6.378 -3.820 1.093) 7.514 6.627 ( 6.378 -3.820 1.093) 7.514 6.780 ( -2.280 -6.166 -2.954) 7.207 6.780 ( 2.280 -6.166 -2.954) 7.207 6.947 ( -0.813 2.634 -0.164) 2.761 6.947 ( 0.813 2.634 -0.164) 2.761 7.168 ( -2.584 -3.056 -3.942) 5.618 7.168 ( 2.584 -3.056 -3.942) 5.618 7.376 ( -3.544 1.435 2.731) 4.699 7.376 ( 3.544 1.435 2.731) 4.699 7.446 ( -3.398 -1.290 -0.431) 3.660 7.446 ( 3.398 -1.290 -0.431) 3.660 7.684 ( -1.621 4.063 0.994) 4.486 7.684 ( 1.621 4.063 0.994) 4.486 7.790 ( -2.365 -0.476 -0.295) 2.431 7.790 ( 2.365 -0.476 -0.295) 2.431 8.195 ( -1.688 6.724 -2.296) 7.303 8.195 ( 1.688 6.724 -2.296) 7.303 8.524 ( -5.095 -8.250 -2.985) 10.146 8.524 ( 5.095 -8.250 -2.985) 10.146 10.805 ( -0.460 1.371 0.943) 1.727 10.805 ( 0.460 1.371 0.943) 1.727 10.869 ( -0.896 -1.316 1.043) 1.903 10.869 ( 0.896 -1.316 1.043) 1.903 10.924 ( -0.818 1.795 2.205) 2.958 10.924 ( 0.818 1.795 2.205) 2.958 10.962 ( -1.597 -0.028 3.416) 3.771 10.962 ( 1.597 -0.028 3.416) 3.771 11.273 ( -1.799 7.888 -5.163) 9.598 11.273 ( 1.799 7.888 -5.163) 9.598 11.458 ( -5.381 -1.125 -8.418) 10.054 11.458 ( 5.381 -1.125 -8.418) 10.054 11.965 ( -1.132 1.317 3.615) 4.010 11.965 ( 1.132 1.317 3.615) 4.010 12.155 ( -3.605 -7.171 5.297) 9.617 12.155 ( 3.605 -7.171 5.297) 9.617 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 0.000 -7.959 9.987) 12.771 1.538 ( 0.000 7.959 9.987) 12.771 1.813 ( 0.000 -4.396 11.184) 12.017 1.813 ( 0.000 4.396 11.184) 12.017 1.833 ( 0.000 -5.556 8.424) 10.092 1.833 ( 0.000 5.556 8.424) 10.092 2.068 ( 0.000 -7.647 -7.248) 10.536 2.068 ( 0.000 7.647 -7.248) 10.536 2.352 ( 0.000 -3.559 -15.151) 15.564 2.352 ( 0.000 3.559 -15.151) 15.564 2.417 ( 0.000 -19.066 8.899) 21.040 2.417 ( 0.000 19.066 8.899) 21.040 2.766 ( 0.000 -9.613 2.355) 9.898 2.766 ( 0.000 9.613 2.355) 9.898 3.104 ( 0.000 -10.037 11.061) 14.937 3.104 ( 0.000 10.037 11.061) 14.937 3.303 ( 0.000 -12.610 0.389) 12.616 3.303 ( 0.000 12.610 0.389) 12.616 3.465 ( 0.000 -3.538 -12.835) 13.314 3.465 ( 0.000 3.538 -12.835) 13.314 3.714 ( 0.000 -6.968 -8.550) 11.030 3.714 ( 0.000 6.968 -8.550) 11.030 3.858 ( 0.000 -10.043 -6.932) 12.203 3.858 ( 0.000 10.043 -6.932) 12.203 4.158 ( 0.000 -5.143 -3.174) 6.044 4.158 ( 0.000 5.143 -3.174) 6.044 4.536 ( 0.000 -3.626 0.166) 3.629 4.536 ( 0.000 3.626 0.166) 3.629 4.765 ( 0.000 -12.694 7.498) 14.743 4.765 ( 0.000 12.694 7.498) 14.743 4.821 ( 0.000 -4.506 4.862) 6.629 4.821 ( 0.000 4.506 4.862) 6.629 5.240 ( 0.000 -9.007 0.360) 9.014 5.240 ( 0.000 9.007 0.360) 9.014 5.524 ( 0.000 -5.002 2.625) 5.649 5.524 ( 0.000 5.002 2.626) 5.649 5.620 ( 0.000 -4.420 -0.615) 4.462 5.620 ( 0.000 4.420 -0.615) 4.462 5.685 ( 0.000 -0.673 -11.364) 11.384 5.685 ( 0.000 0.673 -11.364) 11.384 6.138 ( 0.000 -3.109 2.265) 3.846 6.138 ( 0.000 3.109 2.265) 3.846 6.237 ( 0.000 -0.337 10.467) 10.473 6.237 ( 0.000 0.337 10.467) 10.473 6.308 ( 0.000 -4.399 3.955) 5.915 6.308 ( 0.000 4.399 3.955) 5.915 6.488 ( 0.000 -5.225 3.956) 6.554 6.488 ( 0.000 5.225 3.956) 6.554 6.580 ( 0.000 -6.176 -6.337) 8.849 6.580 ( 0.000 6.176 -6.337) 8.849 6.883 ( 0.000 -0.391 0.358) 0.530 6.883 ( 0.000 0.391 0.358) 0.530 6.908 ( 0.000 -1.331 -2.714) 3.023 6.908 ( 0.000 1.331 -2.714) 3.023 7.036 ( 0.000 -8.282 -1.837) 8.483 7.036 ( 0.000 8.282 -1.837) 8.483 7.356 ( 0.000 -1.691 2.005) 2.623 7.356 ( 0.000 1.691 2.005) 2.623 7.540 ( 0.000 -0.758 -4.096) 4.165 7.540 ( 0.000 0.758 -4.096) 4.165 7.629 ( 0.000 -1.304 2.219) 2.574 7.629 ( 0.000 1.304 2.219) 2.574 7.841 ( 0.000 -2.974 0.109) 2.976 7.841 ( 0.000 2.974 0.109) 2.976 8.246 ( 0.000 -1.120 -4.931) 5.056 8.246 ( 0.000 1.120 -4.931) 5.056 8.467 ( 0.000 -6.372 -2.705) 6.922 8.467 ( 0.000 6.372 -2.705) 6.922 10.812 ( 0.000 -0.135 1.153) 1.161 10.812 ( 0.000 0.135 1.153) 1.161 10.863 ( 0.000 -1.165 1.061) 1.576 10.863 ( 0.000 1.165 1.061) 1.576 10.927 ( 0.000 -0.447 2.984) 3.017 10.927 ( 0.000 0.447 2.984) 3.017 10.968 ( 0.000 -2.223 2.107) 3.062 10.968 ( 0.000 2.223 2.107) 3.062 11.338 ( 0.000 -0.779 -7.162) 7.204 11.338 ( 0.000 0.779 -7.162) 7.204 11.469 ( 0.000 -6.328 -6.730) 9.238 11.469 ( 0.000 6.328 -6.730) 9.238 11.959 ( 0.000 -0.285 4.112) 4.122 11.959 ( 0.000 0.285 4.112) 4.122 12.101 ( 0.000 -4.307 5.332) 6.854 12.101 ( 0.000 4.307 5.332) 6.854 ======================= Grid point 87 (35/60) ======================= q-point: ( 0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 1.387 -6.897 8.174) 10.784 1.541 ( 1.387 6.897 8.174) 10.784 1.772 ( -6.142 -2.548 7.533) 10.048 1.772 ( -6.142 2.548 7.533) 10.048 1.849 ( 2.714 -7.472 9.937) 12.726 1.849 ( 2.714 7.472 9.937) 12.726 2.003 ( -5.230 -6.169 -0.897) 8.137 2.003 ( -5.230 6.169 -0.897) 8.137 2.337 ( -0.908 -6.232 -9.027) 11.007 2.337 ( -0.908 6.232 -9.027) 11.007 2.388 ( -2.472 -11.916 0.033) 12.169 2.388 ( -2.472 11.916 0.033) 12.169 2.858 ( 7.951 -8.542 3.571) 12.204 2.858 ( 7.951 8.542 3.571) 12.204 3.098 ( -2.226 -6.996 7.356) 10.393 3.098 ( -2.226 6.996 7.356) 10.393 3.307 ( 3.163 -6.463 0.317) 7.202 3.307 ( 3.163 6.463 0.317) 7.202 3.506 ( 1.307 -7.577 -8.079) 11.153 3.506 ( 1.307 7.577 -8.079) 11.153 3.689 ( -1.445 -3.775 -9.562) 10.381 3.689 ( -1.445 3.775 -9.562) 10.381 3.800 ( -4.801 -4.303 -8.420) 10.605 3.800 ( -4.801 4.303 -8.420) 10.605 4.259 ( 8.977 -1.760 -3.360) 9.745 4.259 ( 8.977 1.760 -3.360) 9.745 4.518 ( -2.402 -4.017 -0.015) 4.680 4.518 ( -2.402 4.017 -0.015) 4.680 4.737 ( -1.904 -8.337 7.011) 11.059 4.737 ( -1.904 8.337 7.011) 11.059 4.793 ( -2.917 -3.931 6.815) 8.391 4.793 ( -2.917 3.931 6.815) 8.391 5.289 ( 4.515 -6.007 -0.136) 7.516 5.289 ( 4.515 6.007 -0.136) 7.516 5.473 ( -4.718 -5.482 -0.378) 7.243 5.473 ( -4.718 5.482 -0.378) 7.243 5.612 ( 1.824 -4.959 -0.822) 5.347 5.612 ( 1.824 4.959 -0.822) 5.347 5.731 ( 0.659 -8.978 -7.017) 11.414 5.731 ( 0.659 8.978 -7.017) 11.414 6.148 ( 1.477 -6.127 4.128) 7.534 6.148 ( 1.477 6.127 4.128) 7.534 6.216 ( -1.440 -1.103 6.099) 6.363 6.216 ( -1.440 1.103 6.099) 6.363 6.335 ( 3.131 -1.183 3.720) 5.004 6.335 ( 3.131 1.183 3.720) 5.004 6.479 ( -1.262 -4.418 5.123) 6.881 6.479 ( -1.262 4.418 5.123) 6.881 6.596 ( 1.348 -6.002 -7.083) 9.381 6.596 ( 1.348 6.002 -7.083) 9.381 6.761 ( -7.604 -1.559 -0.867) 7.810 6.761 ( -7.604 1.559 -0.867) 7.810 6.991 ( 4.039 -3.948 -1.585) 5.866 6.991 ( 4.039 3.948 -1.585) 5.866 7.054 ( 1.119 -8.004 -1.498) 8.220 7.054 ( 1.119 8.004 -1.498) 8.220 7.368 ( 1.487 -1.734 1.803) 2.910 7.368 ( 1.487 1.734 1.803) 2.910 7.487 ( -4.022 -1.666 -1.644) 4.653 7.487 ( -4.022 1.666 -1.644) 4.653 7.681 ( 3.986 -1.190 0.751) 4.227 7.681 ( 3.986 1.190 0.751) 4.227 7.816 ( -2.537 -2.492 0.299) 3.569 7.816 ( -2.537 2.492 0.299) 3.569 8.278 ( 3.235 -2.418 -4.672) 6.176 8.278 ( 3.235 2.418 -4.672) 6.176 8.433 ( -3.423 -5.805 -3.050) 7.397 8.433 ( -3.423 5.805 -3.050) 7.397 10.819 ( 0.769 -0.700 1.066) 1.489 10.819 ( 0.769 0.700 1.066) 1.489 10.856 ( -0.734 -1.176 1.193) 1.829 10.856 ( -0.734 1.176 1.193) 1.829 10.934 ( 0.811 -0.133 2.843) 2.960 10.934 ( 0.811 0.133 2.843) 2.960 10.964 ( -0.445 -1.683 2.502) 3.048 10.964 ( -0.445 1.683 2.502) 3.048 11.357 ( 1.998 -2.415 -7.294) 7.939 11.357 ( 1.998 2.415 -7.294) 7.939 11.450 ( -1.976 -5.879 -6.967) 9.327 11.450 ( -1.976 5.879 -6.967) 9.327 11.978 ( 2.046 -1.490 4.318) 5.005 11.978 ( 2.046 1.490 4.318) 5.005 12.079 ( -2.267 -3.861 5.185) 6.851 12.079 ( -2.267 3.861 5.185) 6.851 ======================= Grid point 89 (36/60) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -7.151 -5.537 5.933) 10.816 1.624 ( 1.967 -4.340 5.933) 7.609 1.624 ( -1.967 4.340 5.933) 7.609 1.624 ( 7.151 5.537 5.933) 10.816 1.917 ( -4.109 -6.910 7.286) 10.850 1.917 ( 3.835 -6.871 7.286) 10.724 1.917 ( -3.835 6.871 7.286) 10.724 1.917 ( 4.109 6.910 7.286) 10.850 2.344 ( -1.278 -9.697 -5.131) 11.045 2.344 ( 1.105 -9.692 -5.131) 11.022 2.344 ( -1.105 9.692 -5.131) 11.022 2.344 ( 1.278 9.697 -5.131) 11.045 3.004 ( -7.034 -6.391 3.914) 10.278 3.004 ( 5.873 -6.091 3.914) 9.322 3.004 ( -5.873 6.091 3.914) 9.322 3.004 ( 7.034 6.391 3.914) 10.278 3.430 ( -6.559 -9.021 -0.117) 11.154 3.430 ( 2.207 -8.476 -0.117) 8.759 3.430 ( -2.207 8.476 -0.117) 8.759 3.430 ( 6.559 9.021 -0.117) 11.154 3.717 ( -3.679 -1.262 -11.992) 12.607 3.717 ( -2.710 0.209 -11.992) 12.296 3.717 ( 2.710 -0.209 -11.992) 12.296 3.717 ( 3.679 1.262 -11.992) 12.607 4.425 ( -7.493 -3.190 -2.081) 8.405 4.425 ( -3.950 -0.202 -2.081) 4.469 4.425 ( 3.950 0.202 -2.081) 4.469 4.425 ( 7.493 3.190 -2.081) 8.405 4.737 ( -1.622 -6.819 8.054) 10.677 4.737 ( 1.247 -6.799 8.054) 10.614 4.737 ( -1.247 6.799 8.054) 10.614 4.737 ( 1.622 6.819 8.054) 10.677 5.380 ( -4.770 -3.287 -1.100) 5.896 5.380 ( 0.350 -2.269 -1.100) 2.546 5.380 ( -0.350 2.269 -1.100) 2.546 5.380 ( 4.770 3.287 -1.100) 5.896 5.681 ( -3.539 -11.529 -1.831) 12.198 5.681 ( 2.442 -11.458 -1.831) 11.857 5.681 ( -2.442 11.458 -1.831) 11.857 5.681 ( 3.539 11.529 -1.831) 12.198 6.187 ( -2.020 -4.508 2.634) 5.598 6.187 ( 1.961 -4.502 2.634) 5.572 6.187 ( -1.961 4.502 2.634) 5.572 6.187 ( 2.020 4.508 2.634) 5.598 6.419 ( -4.390 -2.861 4.730) 7.059 6.419 ( -1.408 -1.966 4.730) 5.313 6.419 ( 1.408 1.966 4.730) 5.313 6.419 ( 4.390 2.861 4.730) 7.059 6.643 ( -3.945 -5.894 -3.895) 8.091 6.643 ( 2.520 -5.695 -3.895) 7.345 6.643 ( -2.520 5.695 -3.895) 7.345 6.643 ( 3.945 5.894 -3.895) 8.091 7.048 ( -1.882 -6.655 -1.357) 7.048 7.048 ( 1.843 -6.652 -1.357) 7.035 7.048 ( -1.843 6.652 -1.357) 7.035 7.048 ( 1.882 6.655 -1.357) 7.048 7.416 ( -3.440 -1.867 0.554) 3.953 7.416 ( 0.072 -0.729 0.554) 0.918 7.416 ( -0.072 0.729 0.554) 0.918 7.416 ( 3.440 1.867 0.554) 3.953 7.755 ( -3.229 -2.507 0.522) 4.121 7.755 ( -0.677 -1.947 0.522) 2.126 7.755 ( 0.677 1.947 0.522) 2.126 7.755 ( 3.229 2.507 0.522) 4.121 8.354 ( -3.190 -8.109 -3.903) 9.548 8.354 ( 1.275 -7.976 -3.903) 8.970 8.354 ( -1.275 7.976 -3.903) 8.970 8.354 ( 3.190 8.109 -3.903) 9.548 10.838 ( -0.899 -1.666 1.080) 2.179 10.838 ( 0.381 -1.616 1.080) 1.980 10.838 ( -0.381 1.616 1.080) 1.980 10.838 ( 0.899 1.666 1.080) 2.179 10.952 ( -0.871 -0.950 2.872) 3.148 10.952 ( 0.698 -0.914 2.872) 3.094 10.952 ( -0.698 0.914 2.872) 3.094 10.952 ( 0.871 0.950 2.872) 3.148 11.404 ( -2.761 -4.547 -7.315) 9.045 11.404 ( 2.715 -4.540 -7.315) 9.027 11.404 ( -2.715 4.540 -7.315) 9.027 11.404 ( 2.761 4.547 -7.315) 9.045 12.027 ( -2.214 -4.777 4.781) 7.112 12.027 ( 0.925 -4.670 4.781) 6.747 12.027 ( -0.925 4.670 4.781) 6.747 12.027 ( 2.214 4.777 4.781) 7.112 ======================= Grid point 105 (37/60) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 0.000 0.000 0.695) 0.695 1.268 ( 0.000 0.000 -5.489) 5.489 1.542 ( 0.000 0.000 21.058) 21.058 1.720 ( 0.000 0.000 20.779) 20.779 1.750 ( 0.000 0.000 8.084) 8.084 1.762 ( 0.000 0.000 -11.747) 11.747 1.772 ( 0.000 0.000 -10.481) 10.481 1.935 ( 0.000 0.000 6.075) 6.075 2.130 ( 0.000 0.000 -4.581) 4.581 2.278 ( 0.000 0.000 -4.195) 4.195 2.492 ( 0.000 0.000 13.132) 13.132 2.554 ( 0.000 0.000 -19.001) 19.001 2.655 ( 0.000 0.000 -15.141) 15.141 2.761 ( 0.000 0.000 11.637) 11.637 2.859 ( 0.000 0.000 -16.452) 16.452 3.005 ( 0.000 0.000 5.394) 5.394 3.134 ( 0.000 0.000 3.491) 3.491 3.254 ( 0.000 0.000 8.093) 8.093 3.346 ( 0.000 0.000 8.813) 8.813 3.630 ( 0.000 0.000 21.033) 21.033 3.632 ( 0.000 0.000 -12.453) 12.453 3.708 ( 0.000 0.000 -1.955) 1.955 3.859 ( 0.000 0.000 11.417) 11.417 4.318 ( 0.000 0.000 13.563) 13.563 4.342 ( 0.000 0.000 5.967) 5.967 4.382 ( 0.000 0.000 -1.917) 1.917 4.395 ( 0.000 0.000 -8.253) 8.253 4.687 ( 0.000 0.000 3.570) 3.570 4.707 ( 0.000 0.000 11.682) 11.682 4.719 ( 0.000 0.000 -8.187) 8.187 4.766 ( 0.000 0.000 -17.620) 17.620 5.022 ( 0.000 0.000 2.242) 2.242 5.039 ( 0.000 0.000 9.756) 9.756 5.084 ( 0.000 0.000 -6.389) 6.389 5.261 ( 0.000 0.000 -18.093) 18.093 5.418 ( 0.000 0.000 -18.849) 18.849 5.503 ( 0.000 0.000 -0.560) 0.560 5.705 ( 0.000 0.000 -0.042) 0.042 5.718 ( 0.000 0.000 2.378) 2.378 5.898 ( 0.000 0.000 3.860) 3.860 5.915 ( 0.000 0.000 14.647) 14.647 5.982 ( 0.000 0.000 -1.283) 1.283 6.190 ( 0.000 0.000 -4.634) 4.634 6.248 ( 0.000 0.000 -2.582) 2.582 6.370 ( 0.000 0.000 -8.884) 8.884 6.494 ( 0.000 0.000 -21.484) 21.484 6.612 ( 0.000 0.000 6.880) 6.880 6.655 ( 0.000 0.000 5.650) 5.650 6.681 ( 0.000 0.000 7.560) 7.560 6.685 ( 0.000 0.000 0.560) 0.560 6.922 ( 0.000 0.000 -3.095) 3.095 6.928 ( 0.000 0.000 -5.051) 5.051 6.930 ( 0.000 0.000 -0.875) 0.875 7.092 ( 0.000 0.000 -4.826) 4.826 7.142 ( 0.000 0.000 3.177) 3.177 7.178 ( 0.000 0.000 3.065) 3.065 7.188 ( 0.000 0.000 2.283) 2.283 7.273 ( 0.000 0.000 0.464) 0.464 7.497 ( 0.000 0.000 3.496) 3.496 7.522 ( 0.000 0.000 4.943) 4.943 7.591 ( 0.000 0.000 1.178) 1.178 7.659 ( 0.000 0.000 0.308) 0.308 7.671 ( 0.000 0.000 -0.027) 0.027 7.739 ( 0.000 0.000 4.988) 4.988 7.929 ( 0.000 0.000 -5.438) 5.438 8.312 ( 0.000 0.000 -10.498) 10.498 8.541 ( 0.000 0.000 12.463) 12.463 8.941 ( 0.000 0.000 -6.619) 6.619 10.807 ( 0.000 0.000 0.776) 0.776 10.814 ( 0.000 0.000 2.417) 2.417 10.838 ( 0.000 0.000 2.116) 2.116 10.853 ( 0.000 0.000 -1.307) 1.307 10.911 ( 0.000 0.000 -1.209) 1.209 10.911 ( 0.000 0.000 3.151) 3.151 10.932 ( 0.000 0.000 -2.485) 2.485 11.004 ( 0.000 0.000 2.391) 2.391 11.029 ( 0.000 0.000 -2.449) 2.449 11.060 ( 0.000 0.000 1.589) 1.589 11.220 ( 0.000 0.000 2.123) 2.123 11.474 ( 0.000 0.000 -8.481) 8.481 11.955 ( 0.000 0.000 2.811) 2.811 12.012 ( 0.000 0.000 -0.258) 0.258 12.358 ( 0.000 0.000 6.405) 6.405 12.545 ( 0.000 0.000 -3.462) 3.462 ======================= Grid point 106 (38/60) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 3.380 0.000 0.128) 3.382 1.237 ( -3.143 0.000 -4.416) 5.420 1.596 ( 4.265 0.000 13.353) 14.017 1.699 ( -0.010 0.000 -0.502) 0.502 1.703 ( -3.982 0.000 7.175) 8.206 1.753 ( -1.751 0.000 -10.122) 10.272 1.875 ( -3.700 0.000 -0.694) 3.764 1.886 ( 10.520 0.000 8.252) 13.370 2.021 ( -6.130 0.000 2.767) 6.726 2.378 ( -12.628 0.000 16.077) 20.443 2.467 ( 13.214 0.000 -0.358) 13.219 2.633 ( 6.497 0.000 -20.448) 21.456 2.637 ( 4.763 0.000 -12.106) 13.010 2.853 ( 1.759 0.000 1.179) 2.118 2.862 ( 0.703 0.000 -13.234) 13.252 2.995 ( -2.604 0.000 -3.142) 4.081 3.117 ( -0.894 0.000 13.324) 13.354 3.218 ( -4.294 0.000 11.763) 12.522 3.296 ( -1.054 0.000 7.074) 7.152 3.532 ( -7.631 0.000 5.912) 9.653 3.602 ( -0.803 0.000 16.569) 16.588 3.767 ( -7.854 0.000 13.790) 15.870 3.864 ( 11.750 0.000 -14.067) 18.328 4.154 ( -7.706 0.000 8.065) 11.155 4.280 ( -8.303 0.000 -3.024) 8.837 4.294 ( -9.556 0.000 -11.901) 15.263 4.531 ( 11.520 0.000 2.978) 11.898 4.699 ( 4.544 0.000 5.007) 6.762 4.797 ( 7.319 0.000 7.600) 10.551 4.842 ( 7.654 0.000 -6.205) 9.853 4.850 ( 5.274 0.000 -8.703) 10.176 4.950 ( -5.036 0.000 8.161) 9.589 4.987 ( -8.129 0.000 -3.938) 9.032 5.051 ( -1.055 0.000 2.743) 2.939 5.286 ( 3.157 0.000 -18.560) 18.827 5.440 ( -0.703 0.000 -17.053) 17.068 5.513 ( 1.249 0.000 0.932) 1.558 5.644 ( -5.150 0.000 1.740) 5.436 5.834 ( 11.399 0.000 0.821) 11.429 5.903 ( 1.448 0.000 0.389) 1.499 5.943 ( 2.993 0.000 12.744) 13.091 6.007 ( -0.943 0.000 -4.179) 4.284 6.195 ( 3.902 0.000 0.402) 3.922 6.230 ( -1.271 0.000 -1.068) 1.660 6.449 ( 3.712 0.000 -6.536) 7.517 6.484 ( -6.729 0.000 -5.254) 8.537 6.514 ( -4.964 0.000 2.961) 5.780 6.568 ( -1.059 0.000 -9.254) 9.314 6.639 ( -1.820 0.000 -2.638) 3.205 6.786 ( -5.544 0.000 -5.669) 7.929 6.828 ( 4.642 0.000 6.903) 8.319 6.963 ( 2.930 0.000 -1.491) 3.288 6.988 ( 0.148 0.000 2.544) 2.548 7.069 ( -2.915 0.000 -1.325) 3.202 7.134 ( -0.559 0.000 2.237) 2.306 7.161 ( -1.710 0.000 0.392) 1.754 7.191 ( 1.556 0.000 0.921) 1.808 7.262 ( -1.201 0.000 0.081) 1.203 7.463 ( -2.044 0.000 6.892) 7.189 7.481 ( -1.748 0.000 1.699) 2.438 7.656 ( 3.097 0.000 -1.416) 3.406 7.661 ( 0.178 0.000 0.256) 0.311 7.670 ( -0.177 0.000 0.017) 0.178 7.743 ( -0.836 0.000 1.904) 2.080 7.992 ( 7.698 0.000 -0.164) 7.700 8.299 ( -3.415 0.000 -4.231) 5.437 8.579 ( 5.184 0.000 6.065) 7.979 8.875 ( -6.646 0.000 -5.211) 8.445 10.806 ( -0.008 0.000 1.138) 1.138 10.813 ( -0.141 0.000 2.110) 2.114 10.843 ( 0.565 0.000 2.055) 2.132 10.868 ( 1.408 0.000 -1.389) 1.977 10.885 ( -1.651 0.000 1.745) 2.402 10.911 ( -0.226 0.000 -1.487) 1.504 10.962 ( 1.990 0.000 -1.226) 2.338 11.010 ( 1.053 0.000 3.221) 3.389 11.020 ( -0.931 0.000 -2.243) 2.429 11.069 ( -0.031 0.000 3.125) 3.126 11.245 ( 3.233 0.000 -1.185) 3.443 11.435 ( -4.114 0.000 -7.809) 8.826 11.972 ( 1.689 0.000 2.480) 3.000 12.015 ( 0.079 0.000 0.269) 0.280 12.367 ( 1.307 0.000 5.161) 5.324 12.501 ( -4.216 0.000 -1.809) 4.588 ======================= Grid point 107 (39/60) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -4.606 0.000 -1.939) 4.998 1.162 ( 4.606 0.000 -1.939) 4.998 1.644 ( -1.983 0.000 0.842) 2.154 1.644 ( 1.983 0.000 0.842) 2.154 1.718 ( -1.747 0.000 -7.600) 7.799 1.718 ( 1.747 0.000 -7.600) 7.799 1.906 ( -5.999 0.000 7.848) 9.878 1.906 ( 5.999 0.000 7.848) 9.878 2.120 ( -14.178 0.000 13.088) 19.295 2.120 ( 14.178 0.000 13.088) 19.295 2.667 ( -5.796 0.000 -10.582) 12.066 2.667 ( 5.796 0.000 -10.582) 12.066 2.773 ( -8.120 0.000 -7.143) 10.815 2.773 ( 8.120 0.000 -7.143) 10.815 2.907 ( -4.712 0.000 -8.050) 9.328 2.907 ( 4.712 0.000 -8.050) 9.328 3.133 ( -3.099 0.000 15.163) 15.477 3.133 ( 3.099 0.000 15.163) 15.477 3.378 ( -8.133 0.000 9.654) 12.623 3.378 ( 8.133 0.000 9.654) 12.623 3.641 ( -4.880 0.000 17.104) 17.786 3.641 ( 4.880 0.000 17.104) 17.786 4.089 ( -12.095 0.000 -14.311) 18.737 4.089 ( 12.095 0.000 -14.311) 18.737 4.130 ( -5.184 0.000 -2.177) 5.623 4.130 ( 5.184 0.000 -2.177) 5.623 4.757 ( -11.522 0.000 2.420) 11.773 4.757 ( 11.522 0.000 2.420) 11.773 4.816 ( -6.965 0.000 5.767) 9.043 4.816 ( 6.965 0.000 5.767) 9.043 4.911 ( -2.189 0.000 -2.143) 3.064 4.911 ( 2.189 0.000 -2.143) 3.064 4.989 ( -5.530 0.000 -0.795) 5.587 4.989 ( 5.530 0.000 -0.795) 5.587 5.375 ( -5.407 0.000 -16.899) 17.743 5.375 ( 5.407 0.000 -16.899) 17.743 5.557 ( -3.695 0.000 2.649) 4.546 5.557 ( 3.695 0.000 2.649) 4.546 5.952 ( -3.550 0.000 -3.437) 4.942 5.952 ( 3.550 0.000 -3.437) 4.942 5.987 ( -1.127 0.000 6.228) 6.329 5.987 ( 1.127 0.000 6.228) 6.329 6.283 ( -9.670 0.000 0.005) 9.670 6.283 ( 9.670 0.000 0.005) 9.670 6.326 ( -8.721 0.000 3.316) 9.331 6.326 ( 8.721 0.000 3.316) 9.331 6.602 ( -2.463 0.000 -10.460) 10.746 6.602 ( 2.463 0.000 -10.460) 10.746 6.630 ( -8.988 0.000 -7.824) 11.916 6.630 ( 8.988 0.000 -7.824) 11.916 6.939 ( -4.931 0.000 6.668) 8.293 6.939 ( 4.931 0.000 6.668) 8.293 7.012 ( -2.644 0.000 0.378) 2.671 7.012 ( 2.644 0.000 0.378) 2.671 7.137 ( -0.971 0.000 0.512) 1.097 7.137 ( 0.971 0.000 0.512) 1.097 7.230 ( -2.239 0.000 -0.484) 2.291 7.230 ( 2.239 0.000 -0.484) 2.291 7.454 ( -0.767 0.000 4.121) 4.191 7.454 ( 0.767 0.000 4.121) 4.191 7.665 ( -0.253 0.000 0.132) 0.285 7.665 ( 0.253 0.000 0.132) 0.285 7.706 ( -2.580 0.000 -1.365) 2.919 7.706 ( 2.580 0.000 -1.365) 2.919 8.169 ( -9.676 0.000 2.068) 9.895 8.169 ( 9.676 0.000 2.068) 9.895 8.722 ( -9.107 0.000 -1.697) 9.264 8.722 ( 9.107 0.000 -1.697) 9.264 10.809 ( -0.249 0.000 1.672) 1.691 10.809 ( 0.249 0.000 1.672) 1.691 10.859 ( -1.154 0.000 1.885) 2.210 10.859 ( 1.154 0.000 1.885) 2.210 10.896 ( -1.342 0.000 -1.635) 2.115 10.896 ( 1.342 0.000 -1.635) 2.115 10.996 ( -1.653 0.000 -1.721) 2.386 10.996 ( 1.653 0.000 -1.721) 2.386 11.044 ( -2.198 0.000 4.251) 4.785 11.044 ( 2.198 0.000 4.251) 4.785 11.337 ( -5.934 0.000 -5.707) 8.233 11.337 ( 5.934 0.000 -5.707) 8.233 12.004 ( -1.386 0.000 1.555) 2.083 12.004 ( 1.386 0.000 1.555) 2.083 12.417 ( -4.120 0.000 1.800) 4.496 12.417 ( 4.120 0.000 1.800) 4.496 ======================= Grid point 110 (40/60) ======================= q-point: ( 0.00 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 0.000 19.250 -0.306) 19.252 1.471 ( 0.000 15.956 -4.878) 16.685 1.578 ( 0.000 4.607 21.388) 21.878 1.757 ( 0.000 2.738 12.747) 13.038 1.806 ( 0.000 4.250 8.956) 9.914 1.834 ( 0.000 6.725 -3.655) 7.654 1.846 ( 0.000 6.991 -10.616) 12.711 1.985 ( 0.000 5.033 5.631) 7.553 2.136 ( 0.000 0.657 -3.014) 3.084 2.228 ( 0.000 -4.091 -2.143) 4.619 2.468 ( 0.000 -3.290 19.026) 19.308 2.515 ( 0.000 -1.778 -10.344) 10.495 2.714 ( 0.000 5.878 -22.352) 23.112 2.811 ( 0.000 4.211 1.217) 4.383 2.899 ( 0.000 3.935 -14.387) 14.915 3.050 ( 0.000 2.777 -1.172) 3.014 3.160 ( 0.000 -7.739 3.151) 8.356 3.168 ( 0.000 2.049 7.525) 7.799 3.306 ( 0.000 -1.838 5.956) 6.233 3.570 ( 0.000 -5.443 17.857) 18.668 3.638 ( 0.000 -0.827 -10.137) 10.171 3.652 ( 0.000 -3.959 -2.033) 4.450 3.896 ( 0.000 1.891 10.301) 10.474 4.057 ( 0.000 -16.622 -6.198) 17.740 4.346 ( 0.000 -3.522 -1.914) 4.008 4.387 ( 0.000 6.772 16.167) 17.528 4.532 ( 0.000 -2.120 2.579) 3.338 4.593 ( 0.000 -4.632 -0.056) 4.633 4.634 ( 0.000 2.070 4.620) 5.062 4.838 ( 0.000 4.802 -10.962) 11.968 4.881 ( 0.000 9.606 8.841) 13.056 5.054 ( 0.000 3.621 -8.338) 9.090 5.079 ( 0.000 2.758 11.722) 12.042 5.159 ( 0.000 5.963 -6.082) 8.518 5.258 ( 0.000 0.522 -15.556) 15.564 5.397 ( 0.000 -4.432 -9.308) 10.309 5.513 ( 0.000 0.772 -3.013) 3.111 5.635 ( 0.000 0.856 -2.469) 2.613 5.737 ( 0.000 -5.365 -1.377) 5.539 5.831 ( 0.000 -6.173 2.462) 6.646 5.962 ( 0.000 7.711 5.500) 9.471 6.062 ( 0.000 5.831 6.655) 8.848 6.135 ( 0.000 -2.505 -5.015) 5.606 6.288 ( 0.000 -7.056 -9.149) 11.554 6.309 ( 0.000 3.500 -0.287) 3.512 6.516 ( 0.000 -6.815 1.739) 7.034 6.528 ( 0.000 1.826 -13.088) 13.215 6.611 ( 0.000 -3.411 -2.293) 4.110 6.620 ( 0.000 -2.219 7.154) 7.490 6.719 ( 0.000 -0.513 0.180) 0.544 6.839 ( 0.000 -3.311 0.983) 3.454 6.890 ( 0.000 -1.953 1.900) 2.724 6.989 ( 0.000 1.489 -0.277) 1.514 7.063 ( 0.000 -3.907 2.385) 4.577 7.139 ( 0.000 -2.765 1.605) 3.197 7.219 ( 0.000 3.350 -0.991) 3.494 7.246 ( 0.000 4.374 2.292) 4.938 7.307 ( 0.000 3.145 -3.583) 4.767 7.494 ( 0.000 -0.659 -1.196) 1.366 7.509 ( 0.000 -5.327 1.278) 5.478 7.566 ( 0.000 4.018 6.296) 7.468 7.707 ( 0.000 3.756 -0.451) 3.783 7.712 ( 0.000 2.987 1.586) 3.382 7.742 ( 0.000 0.433 4.774) 4.794 7.948 ( 0.000 2.090 -6.161) 6.506 8.302 ( 0.000 -0.877 -10.628) 10.664 8.470 ( 0.000 -6.429 11.458) 13.139 8.830 ( 0.000 -9.706 -5.458) 11.135 10.804 ( 0.000 0.130 0.667) 0.680 10.820 ( 0.000 0.643 2.222) 2.313 10.835 ( 0.000 -1.033 -1.037) 1.464 10.894 ( 0.000 1.652 -0.122) 1.657 10.922 ( 0.000 2.738 1.263) 3.015 10.954 ( 0.000 2.794 1.275) 3.071 10.961 ( 0.000 1.722 -0.505) 1.795 11.018 ( 0.000 2.960 2.356) 3.783 11.067 ( 0.000 3.101 -2.901) 4.247 11.095 ( 0.000 3.160 1.448) 3.476 11.210 ( 0.000 -0.428 0.331) 0.541 11.455 ( 0.000 -1.816 -8.538) 8.729 11.963 ( 0.000 0.916 2.706) 2.857 12.006 ( 0.000 -0.390 0.349) 0.524 12.318 ( 0.000 -3.688 6.018) 7.058 12.472 ( 0.000 -6.539 -1.859) 6.798 ======================= Grid point 111 (41/60) ======================= q-point: ( 0.25 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 2.226 18.113 0.071) 18.249 1.439 ( -2.984 14.791 -3.650) 15.525 1.606 ( 1.658 2.500 11.287) 11.679 1.713 ( -4.656 1.296 6.932) 8.450 1.789 ( 0.401 7.112 1.378) 7.256 1.828 ( -0.580 7.035 -7.439) 10.255 1.894 ( 0.999 3.802 1.921) 4.376 1.938 ( -0.078 2.582 -1.082) 2.801 2.052 ( -1.969 3.810 10.963) 11.772 2.342 ( -10.600 -2.542 16.020) 19.377 2.432 ( 13.548 -3.192 0.937) 13.950 2.588 ( 5.882 -0.331 -10.655) 12.175 2.731 ( 2.041 4.939 -19.885) 20.591 2.869 ( 0.039 2.165 -2.716) 3.474 2.918 ( 1.442 4.441 -10.104) 11.130 2.995 ( -2.812 -2.871 -3.336) 5.223 3.110 ( -0.113 0.650 8.822) 8.846 3.201 ( -1.157 0.442 7.778) 7.876 3.295 ( -0.781 -0.536 4.840) 4.932 3.458 ( -7.477 -4.316 6.891) 11.046 3.632 ( 1.259 0.246 9.167) 9.256 3.752 ( 3.983 -6.586 -8.314) 11.330 3.818 ( -4.167 0.478 8.944) 9.879 4.018 ( -4.594 -12.284 -4.391) 13.831 4.253 ( -5.008 3.245 4.946) 7.750 4.355 ( -5.874 0.777 -6.932) 9.119 4.605 ( 7.652 0.523 3.389) 8.385 4.658 ( 7.746 -1.771 9.699) 12.538 4.704 ( 4.764 -2.556 1.929) 5.740 4.807 ( 0.050 3.127 -0.252) 3.138 4.974 ( -3.353 3.936 1.783) 5.469 4.994 ( 0.362 6.008 2.133) 6.385 5.057 ( -3.639 2.561 0.648) 4.496 5.137 ( 1.613 7.323 -4.408) 8.698 5.287 ( 1.735 0.437 -14.598) 14.708 5.371 ( -2.732 -4.629 -9.041) 10.518 5.522 ( 2.255 -0.491 -0.542) 2.370 5.690 ( -0.083 1.166 -6.044) 6.156 5.760 ( 3.094 -3.108 -2.152) 4.885 5.831 ( 2.404 -6.625 2.743) 7.563 5.986 ( 3.002 6.143 0.766) 6.880 6.108 ( 3.248 5.441 6.015) 8.737 6.147 ( 3.206 -1.742 1.044) 3.795 6.260 ( -3.380 -0.498 -5.827) 6.755 6.326 ( -0.068 -5.812 -2.084) 6.174 6.488 ( -7.996 -2.894 1.600) 8.653 6.493 ( -0.688 -1.942 0.385) 2.095 6.556 ( 1.978 1.244 -9.167) 9.461 6.691 ( 1.624 -1.480 -0.276) 2.214 6.740 ( 1.120 -1.526 2.108) 2.833 6.780 ( -2.106 -3.699 -4.976) 6.548 6.882 ( -2.502 -2.330 0.187) 3.424 6.968 ( -1.200 -1.401 0.191) 1.854 7.037 ( -2.642 -3.877 4.571) 6.550 7.123 ( -0.648 -1.158 2.827) 3.123 7.180 ( -2.496 1.925 2.888) 4.275 7.295 ( 3.022 5.326 -2.028) 6.450 7.327 ( 1.559 3.884 -4.004) 5.792 7.461 ( -1.939 -1.438 2.672) 3.601 7.481 ( -1.726 -0.277 0.585) 1.843 7.618 ( 3.072 0.686 2.740) 4.173 7.693 ( -0.954 2.666 1.373) 3.147 7.723 ( 0.674 3.211 -1.115) 3.465 7.757 ( 0.182 1.520 2.256) 2.726 8.000 ( 6.542 1.137 -1.576) 6.824 8.287 ( -3.607 -0.968 -3.781) 5.315 8.501 ( 4.773 -6.967 4.567) 9.602 8.772 ( -5.919 -9.107 -4.590) 11.791 10.801 ( 0.025 0.042 0.902) 0.903 10.817 ( -0.374 0.591 1.884) 2.009 10.853 ( 1.570 -0.880 -1.221) 2.175 10.891 ( -0.267 1.359 -0.135) 1.392 10.921 ( -0.310 2.599 1.017) 2.808 10.934 ( -1.144 3.527 2.100) 4.261 10.986 ( 2.097 0.912 0.601) 2.365 11.029 ( 0.933 3.041 1.974) 3.743 11.070 ( -0.196 4.044 -2.728) 4.882 11.093 ( -0.838 2.371 2.310) 3.415 11.234 ( 3.289 -0.612 -2.593) 4.232 11.418 ( -3.869 -1.564 -8.012) 9.033 11.978 ( 1.454 0.695 2.500) 2.974 12.012 ( 0.295 -0.164 0.754) 0.826 12.324 ( 0.940 -4.005 5.000) 6.475 12.435 ( -3.584 -5.987 -0.616) 7.005 ======================= Grid point 112 (42/60) ======================= q-point: (-0.50 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( -3.554 16.025 -0.889) 16.439 1.376 ( 3.554 16.025 -0.889) 16.439 1.635 ( -2.838 -0.157 -0.980) 3.007 1.635 ( 2.838 -0.157 -0.980) 3.007 1.809 ( -1.227 7.781 -5.574) 9.650 1.809 ( 1.227 7.781 -5.574) 9.650 1.924 ( -3.558 2.503 8.312) 9.382 1.924 ( 3.558 2.503 8.312) 9.382 2.136 ( -10.131 1.792 14.876) 18.087 2.136 ( 10.131 1.792 14.876) 18.087 2.650 ( -5.476 -1.710 -6.620) 8.760 2.650 ( 5.476 -1.710 -6.620) 8.760 2.752 ( -3.811 -0.392 -8.651) 9.461 2.752 ( 3.811 -0.392 -8.651) 9.461 2.973 ( -2.699 3.867 -6.611) 8.120 2.973 ( 2.699 3.867 -6.611) 8.120 3.143 ( -3.199 1.163 10.147) 10.702 3.143 ( 3.199 1.163 10.147) 10.702 3.336 ( -5.260 -1.839 2.955) 6.307 3.336 ( 5.260 -1.839 2.955) 6.307 3.685 ( -4.296 0.952 13.994) 14.670 3.685 ( 4.296 0.952 13.994) 14.670 3.903 ( -7.082 -9.535 -7.712) 14.162 3.903 ( 7.082 -9.535 -7.712) 14.162 4.243 ( -4.283 3.757 -4.593) 7.318 4.243 ( 4.283 3.757 -4.593) 7.318 4.740 ( -2.679 -4.542 2.416) 5.801 4.740 ( 2.679 -4.542 2.416) 5.801 4.810 ( -3.439 3.121 6.614) 8.082 4.810 ( 3.439 3.121 6.614) 8.082 4.879 ( -1.478 2.243 2.396) 3.600 4.879 ( 1.478 2.243 2.396) 3.600 5.128 ( -3.530 6.301 -1.966) 7.486 5.128 ( 3.530 6.301 -1.966) 7.486 5.318 ( -2.316 -2.348 -11.527) 11.990 5.318 ( 2.316 -2.348 -11.527) 11.990 5.606 ( -5.970 0.861 -1.754) 6.281 5.606 ( 5.970 0.861 -1.754) 6.281 5.834 ( -3.072 -4.329 -3.211) 6.204 5.834 ( 3.072 -4.329 -3.211) 6.204 6.095 ( -6.002 4.157 1.474) 7.448 6.095 ( 6.002 4.157 1.474) 7.448 6.259 ( -2.993 -2.611 -1.490) 4.242 6.259 ( 2.993 -2.611 -1.490) 4.242 6.280 ( -9.165 -1.716 4.157) 10.209 6.280 ( 9.165 -1.716 4.157) 10.209 6.564 ( -2.635 -0.645 -1.463) 3.082 6.564 ( 2.635 -0.645 -1.463) 3.082 6.698 ( -1.895 -0.151 -8.551) 8.760 6.698 ( 1.895 -0.151 -8.551) 8.760 6.822 ( -3.121 -4.436 -1.325) 5.583 6.822 ( 3.121 -4.436 -1.325) 5.583 6.982 ( -2.586 -3.489 5.097) 6.696 6.982 ( 2.586 -3.489 5.097) 6.696 7.137 ( -1.904 1.008 3.286) 3.929 7.137 ( 1.904 1.008 3.286) 3.929 7.336 ( -1.044 4.912 -3.494) 6.117 7.336 ( 1.044 4.912 -3.494) 6.117 7.452 ( -0.958 -0.614 1.831) 2.155 7.452 ( 0.958 -0.614 1.831) 2.155 7.666 ( -2.063 1.462 1.998) 3.222 7.666 ( 2.063 1.462 1.998) 3.222 7.741 ( -1.267 2.943 -1.125) 3.396 7.741 ( 1.267 2.943 -1.125) 3.396 8.160 ( -9.095 -0.655 1.713) 9.278 8.160 ( 9.095 -0.655 1.713) 9.278 8.634 ( -8.312 -7.873 -2.249) 11.668 8.634 ( 8.312 -7.873 -2.249) 11.668 10.807 ( -0.539 0.292 1.358) 1.490 10.807 ( 0.539 0.292 1.358) 1.490 10.880 ( -1.096 -0.397 -1.311) 1.754 10.880 ( 1.096 -0.397 -1.311) 1.754 10.918 ( -0.404 3.623 2.437) 4.385 10.918 ( 0.404 3.623 2.437) 4.385 11.030 ( -1.799 1.688 1.319) 2.797 11.030 ( 1.799 1.688 1.319) 2.797 11.067 ( -0.802 3.411 0.366) 3.523 11.067 ( 0.802 3.411 0.366) 3.523 11.325 ( -5.700 -0.996 -6.299) 8.553 11.325 ( 5.700 -0.996 -6.299) 8.553 12.005 ( -1.117 0.282 1.801) 2.138 12.005 ( 1.117 0.282 1.801) 2.138 12.364 ( -3.450 -4.891 2.231) 6.388 12.364 ( 3.450 -4.891 2.231) 6.388 ======================= Grid point 115 (43/60) ======================= q-point: ( 0.00 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 0.000 7.354 3.060) 7.965 1.736 ( 0.000 5.986 -4.024) 7.213 1.806 ( 0.000 14.020 14.736) 20.340 1.814 ( 0.000 3.803 3.117) 4.917 1.904 ( 0.000 5.592 7.543) 9.390 1.981 ( 0.000 4.487 -9.054) 10.105 1.999 ( 0.000 7.285 6.771) 9.946 2.093 ( 0.000 0.168 -4.957) 4.960 2.148 ( 0.000 0.282 2.907) 2.921 2.178 ( 0.000 3.031 13.528) 13.863 2.400 ( 0.000 0.183 18.750) 18.751 2.551 ( 0.000 4.577 -7.946) 9.171 2.848 ( 0.000 6.408 -21.793) 22.716 2.896 ( 0.000 2.243 -0.187) 2.250 2.986 ( 0.000 -7.187 -1.810) 7.411 3.025 ( 0.000 6.747 -13.946) 15.492 3.070 ( 0.000 0.791 -4.068) 4.144 3.191 ( 0.000 -0.716 -5.216) 5.265 3.258 ( 0.000 -4.613 7.453) 8.765 3.482 ( 0.000 -0.010 0.482) 0.482 3.546 ( 0.000 -9.075 -7.614) 11.846 3.638 ( 0.000 4.477 1.995) 4.901 3.752 ( 0.000 -11.580 -5.465) 12.805 3.939 ( 0.000 3.681 7.947) 8.758 4.138 ( 0.000 -14.936 -12.552) 19.510 4.347 ( 0.000 -12.713 7.807) 14.919 4.580 ( 0.000 11.281 14.792) 18.603 4.625 ( 0.000 5.826 14.337) 15.475 4.749 ( 0.000 7.295 7.067) 10.157 4.939 ( 0.000 2.286 -3.078) 3.834 5.029 ( 0.000 -0.938 13.814) 13.845 5.114 ( 0.000 5.959 3.989) 7.171 5.143 ( 0.000 2.795 -7.826) 8.310 5.241 ( 0.000 -8.582 -5.144) 10.006 5.252 ( 0.000 3.727 -2.731) 4.621 5.338 ( 0.000 6.997 -8.426) 10.952 5.525 ( 0.000 -0.386 -9.527) 9.535 5.625 ( 0.000 -4.208 -2.307) 4.798 5.686 ( 0.000 -7.178 -0.930) 7.238 5.686 ( 0.000 1.207 -2.076) 2.401 6.098 ( 0.000 3.135 2.964) 4.314 6.110 ( 0.000 -3.513 -4.772) 5.926 6.163 ( 0.000 6.559 -11.984) 13.661 6.230 ( 0.000 5.126 5.363) 7.419 6.371 ( 0.000 0.835 1.589) 1.795 6.386 ( 0.000 -2.414 4.557) 5.157 6.522 ( 0.000 -2.814 -3.490) 4.483 6.531 ( 0.000 -5.100 -6.754) 8.464 6.604 ( 0.000 0.227 7.384) 7.388 6.680 ( 0.000 -2.289 -4.016) 4.623 6.834 ( 0.000 1.728 3.090) 3.541 6.872 ( 0.000 1.414 1.632) 2.160 6.964 ( 0.000 -2.855 1.167) 3.085 6.967 ( 0.000 -4.436 7.083) 8.357 7.051 ( 0.000 -5.601 2.210) 6.021 7.175 ( 0.000 -7.096 -3.312) 7.831 7.341 ( 0.000 3.954 1.576) 4.256 7.372 ( 0.000 2.035 -1.234) 2.380 7.438 ( 0.000 -0.880 -2.023) 2.206 7.472 ( 0.000 -1.425 -3.761) 4.022 7.652 ( 0.000 3.912 5.504) 6.752 7.744 ( 0.000 -0.564 4.815) 4.848 7.783 ( 0.000 4.130 2.824) 5.003 7.810 ( 0.000 4.973 -2.148) 5.417 8.020 ( 0.000 4.746 -7.275) 8.686 8.269 ( 0.000 -4.580 -9.190) 10.268 8.339 ( 0.000 -2.532 6.703) 7.165 8.603 ( 0.000 -11.291 -4.273) 12.073 10.814 ( 0.000 0.723 0.191) 0.748 10.822 ( 0.000 -0.013 0.014) 0.019 10.844 ( 0.000 1.370 1.015) 1.706 10.892 ( 0.000 -0.682 -0.557) 0.880 10.969 ( 0.000 -0.124 1.230) 1.236 10.977 ( 0.000 0.012 1.069) 1.069 10.992 ( 0.000 3.111 4.830) 5.746 11.090 ( 0.000 -1.502 4.436) 4.684 11.145 ( 0.000 6.613 -2.217) 6.975 11.183 ( 0.000 4.893 -3.432) 5.977 11.240 ( 0.000 3.321 -4.903) 5.922 11.404 ( 0.000 -3.127 -8.356) 8.922 11.997 ( 0.000 2.391 2.555) 3.499 12.008 ( 0.000 0.797 1.848) 2.013 12.225 ( 0.000 -4.665 4.972) 6.818 12.312 ( 0.000 -8.148 0.831) 8.190 ======================= Grid point 116 (44/60) ======================= q-point: ( 0.25 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 0.161 4.126 0.840) 4.213 1.632 ( -5.696 5.749 -1.920) 8.318 1.701 ( -7.800 2.653 -0.363) 8.247 1.804 ( -7.722 3.760 -0.345) 8.596 1.936 ( 4.173 7.609 8.713) 12.297 1.999 ( 3.148 6.808 5.393) 9.238 2.017 ( 0.548 8.224 1.349) 8.352 2.032 ( 0.276 8.027 2.744) 8.488 2.175 ( 0.348 5.762 12.596) 13.856 2.320 ( -6.382 2.701 16.792) 18.166 2.349 ( 12.029 -4.714 4.372) 13.639 2.615 ( 4.045 0.976 -6.080) 7.368 2.823 ( -3.678 1.299 -10.195) 10.915 2.887 ( -4.169 4.116 -12.547) 13.847 2.948 ( 3.334 -0.237 0.507) 3.380 3.027 ( -0.035 3.963 -6.689) 7.775 3.127 ( 3.736 0.848 -7.319) 8.261 3.229 ( 1.004 1.228 -3.118) 3.498 3.273 ( 1.683 -1.411 2.031) 2.991 3.396 ( -4.366 -1.668 -4.228) 6.302 3.576 ( -0.182 -6.495 -6.819) 9.419 3.619 ( 1.431 -2.937 -2.024) 3.843 3.743 ( -3.403 -8.515 -3.084) 9.675 3.835 ( -6.601 -4.486 4.275) 9.054 4.221 ( 5.276 -3.814 -4.874) 8.133 4.420 ( 2.352 -1.628 7.413) 7.945 4.508 ( 1.140 1.146 12.482) 12.587 4.693 ( 2.601 4.303 11.015) 12.109 4.776 ( 3.181 6.358 10.390) 12.590 4.914 ( -0.772 2.898 0.739) 3.089 4.983 ( -5.595 -2.361 12.700) 14.077 5.114 ( -5.416 2.645 -1.548) 6.223 5.142 ( 0.594 6.681 0.364) 6.718 5.229 ( 1.563 -0.984 -7.493) 7.718 5.246 ( 2.132 -1.543 -7.269) 7.731 5.359 ( -1.424 4.006 -6.355) 7.646 5.492 ( 1.769 -0.929 -4.823) 5.221 5.655 ( -3.056 -4.340 -2.130) 5.719 5.708 ( 3.735 -4.022 -3.620) 6.576 5.728 ( 4.399 -2.465 -5.340) 7.344 6.112 ( 0.809 0.674 -4.972) 5.082 6.138 ( 3.743 1.988 3.541) 5.523 6.173 ( 2.368 5.300 -6.936) 9.044 6.257 ( -0.155 3.852 3.770) 5.392 6.322 ( -4.537 2.004 0.056) 4.960 6.392 ( 1.929 -4.754 1.819) 5.444 6.446 ( -6.050 -2.527 0.608) 6.584 6.563 ( 2.419 -5.664 -4.896) 7.868 6.605 ( -0.633 0.806 5.813) 5.903 6.688 ( 0.173 -3.509 -3.956) 5.291 6.787 ( -3.725 2.072 1.449) 4.502 6.892 ( 1.499 -0.045 2.728) 3.113 6.905 ( -4.670 -1.828 1.769) 5.318 6.960 ( -1.079 -2.365 3.292) 4.195 7.075 ( 2.373 -3.919 1.617) 4.858 7.162 ( -1.424 -4.763 -1.811) 5.291 7.363 ( 1.741 1.941 0.053) 2.608 7.379 ( 0.761 1.341 -1.898) 2.446 7.424 ( -0.912 -0.767 -0.651) 1.357 7.456 ( -1.552 -1.482 -2.837) 3.557 7.681 ( 2.610 3.842 4.494) 6.462 7.768 ( -1.072 3.537 1.091) 3.853 7.774 ( 1.875 0.759 5.137) 5.521 7.813 ( 0.084 3.890 -1.299) 4.102 8.056 ( 4.182 4.420 -4.908) 7.817 8.280 ( -3.670 1.074 -3.749) 5.355 8.332 ( 3.981 -8.594 1.020) 9.526 8.557 ( -4.730 -10.789 -4.119) 12.479 10.812 ( 0.234 0.875 0.532) 1.050 10.835 ( 0.065 0.759 1.227) 1.445 10.844 ( 0.753 0.242 -0.711) 1.063 10.887 ( -0.634 -0.724 -0.718) 1.201 10.973 ( 0.120 1.308 2.605) 2.917 10.983 ( 0.871 0.843 1.998) 2.337 11.002 ( 1.171 1.767 4.133) 4.645 11.079 ( -1.185 -0.640 5.071) 5.247 11.160 ( 0.947 5.457 -2.629) 6.131 11.187 ( -0.064 5.658 -5.029) 7.570 11.244 ( 1.409 1.579 -5.263) 5.673 11.375 ( -3.035 -2.635 -8.097) 9.040 12.007 ( 1.111 2.186 2.648) 3.609 12.022 ( 1.065 1.570 1.883) 2.673 12.221 ( -0.119 -5.415 4.469) 7.022 12.286 ( -2.527 -7.757 1.378) 8.274 ======================= Grid point 117 (45/60) ======================= q-point: (-0.50 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -2.285 3.548 -1.424) 4.454 1.582 ( 2.285 3.548 -1.424) 4.454 1.652 ( -6.206 0.601 -4.574) 7.733 1.652 ( 6.206 0.601 -4.574) 7.733 2.000 ( -2.249 7.957 5.437) 9.896 2.000 ( 2.249 7.957 5.437) 9.896 2.047 ( -0.285 9.473 7.973) 12.385 2.047 ( 0.285 9.473 7.973) 12.385 2.205 ( -4.510 5.629 14.769) 16.436 2.205 ( 4.510 5.629 14.769) 16.436 2.562 ( -9.681 -6.929 2.642) 12.195 2.562 ( 9.681 -6.929 2.642) 12.195 2.821 ( -3.892 6.966 -12.295) 14.657 2.821 ( 3.892 6.966 -12.295) 14.657 3.003 ( -2.415 -0.519 -0.566) 2.534 3.003 ( 2.415 -0.519 -0.566) 2.534 3.193 ( -3.252 3.618 -7.013) 8.535 3.193 ( 3.252 3.618 -7.013) 8.535 3.335 ( -4.081 0.582 -5.974) 7.258 3.335 ( 4.081 0.582 -5.974) 7.258 3.608 ( -3.626 -6.253 -2.387) 7.612 3.608 ( 3.626 -6.253 -2.387) 7.612 3.728 ( -4.464 -8.796 -1.516) 9.980 3.728 ( 4.464 -8.796 -1.516) 9.980 4.329 ( -6.578 6.063 4.714) 10.112 4.329 ( 6.578 6.063 4.714) 10.112 4.659 ( -7.258 -4.685 7.897) 11.704 4.659 ( 7.258 -4.685 7.897) 11.704 4.858 ( -5.601 2.120 11.387) 12.866 4.858 ( 5.601 2.120 11.387) 12.866 4.970 ( -6.230 4.722 4.777) 9.162 4.970 ( 6.230 4.722 4.777) 9.162 5.202 ( -3.074 1.975 -8.587) 9.332 5.202 ( 3.074 1.975 -8.587) 9.332 5.308 ( -2.955 0.090 -4.768) 5.610 5.308 ( 2.955 0.090 -4.768) 5.610 5.576 ( -5.283 -1.193 -2.686) 6.045 5.576 ( 5.283 -1.193 -2.686) 6.045 5.760 ( -1.436 -4.886 -6.049) 7.908 5.760 ( 1.436 -4.886 -6.049) 7.908 6.164 ( -3.911 3.328 -2.094) 5.546 6.164 ( 3.911 3.328 -2.094) 5.546 6.226 ( -5.035 0.809 -3.162) 6.000 6.226 ( 5.035 0.809 -3.162) 6.000 6.294 ( -6.209 1.825 5.851) 8.725 6.294 ( 6.209 1.825 5.851) 8.725 6.512 ( -6.316 -5.277 0.754) 8.265 6.512 ( 6.316 -5.277 0.754) 8.265 6.646 ( -3.715 -0.255 -2.075) 4.263 6.646 ( 3.715 -0.255 -2.075) 4.263 6.798 ( -4.672 -2.693 0.676) 5.435 6.798 ( 4.672 -2.693 0.676) 5.435 6.935 ( -1.967 0.866 2.703) 3.453 6.935 ( 1.967 0.866 2.703) 3.453 7.124 ( -2.627 -3.166 -0.111) 4.116 7.124 ( 2.627 -3.166 -0.111) 4.116 7.386 ( -0.590 0.843 -2.058) 2.301 7.386 ( 0.590 0.843 -2.058) 2.301 7.425 ( -1.358 -1.216 -0.607) 1.921 7.425 ( 1.358 -1.216 -0.607) 1.921 7.731 ( -2.530 3.907 3.233) 5.667 7.731 ( 2.530 3.907 3.233) 5.667 7.805 ( -1.066 2.204 0.522) 2.503 7.805 ( 1.066 2.204 0.522) 2.503 8.167 ( -7.089 2.282 -0.689) 7.479 8.167 ( 7.089 2.282 -0.689) 7.479 8.445 ( -6.836 -9.603 -3.803) 12.386 8.445 ( 6.836 -9.603 -3.803) 12.386 10.823 ( -0.855 1.158 0.915) 1.706 10.823 ( 0.855 1.158 0.915) 1.706 10.868 ( -1.348 -0.728 -0.895) 1.775 10.868 ( 1.348 -0.728 -0.895) 1.775 10.982 ( -0.590 2.350 3.443) 4.210 10.982 ( 0.590 2.350 3.443) 4.210 11.043 ( -2.585 -0.226 4.423) 5.128 11.043 ( 2.585 -0.226 4.423) 5.128 11.174 ( -0.832 5.733 -4.359) 7.250 11.174 ( 0.832 5.733 -4.359) 7.250 11.304 ( -4.219 -1.095 -7.068) 8.304 11.304 ( 4.219 -1.095 -7.068) 8.304 12.028 ( -0.672 2.272 2.414) 3.383 12.028 ( 0.672 2.272 2.414) 3.383 12.238 ( -2.131 -6.877 2.862) 7.748 12.238 ( 2.131 -6.877 2.862) 7.748 ======================= Grid point 120 (46/60) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 0.000 -5.215 2.071) 5.611 1.703 ( 0.000 5.215 2.071) 5.611 1.929 ( 0.000 -3.576 -4.055) 5.406 1.929 ( 0.000 3.576 -4.055) 5.406 1.992 ( 0.000 -1.393 3.235) 3.523 1.992 ( 0.000 1.393 3.235) 3.523 2.076 ( 0.000 -0.913 11.948) 11.983 2.076 ( 0.000 0.913 11.948) 11.983 2.172 ( 0.000 -2.324 8.236) 8.557 2.172 ( 0.000 2.324 8.236) 8.557 2.559 ( 0.000 -7.279 1.028) 7.352 2.559 ( 0.000 7.279 1.028) 7.352 2.860 ( 0.000 -0.710 6.708) 6.746 2.860 ( 0.000 0.710 6.708) 6.746 3.024 ( 0.000 -7.201 -13.361) 15.178 3.024 ( 0.000 7.201 -13.361) 15.178 3.139 ( 0.000 -3.002 -16.396) 16.669 3.139 ( 0.000 3.002 -16.396) 16.669 3.316 ( 0.000 -10.492 -2.258) 10.732 3.316 ( 0.000 10.492 -2.258) 10.732 3.572 ( 0.000 -7.261 -5.116) 8.883 3.572 ( 0.000 7.261 -5.116) 8.883 3.828 ( 0.000 -13.423 -6.458) 14.895 3.828 ( 0.000 13.423 -6.458) 14.895 4.090 ( 0.000 -11.009 8.847) 14.123 4.090 ( 0.000 11.009 8.847) 14.123 4.739 ( 0.000 -1.277 15.517) 15.570 4.739 ( 0.000 1.277 15.517) 15.570 4.879 ( 0.000 -6.308 5.470) 8.349 4.879 ( 0.000 6.308 5.470) 8.349 5.014 ( 0.000 -6.080 8.409) 10.377 5.014 ( 0.000 6.080 8.409) 10.377 5.213 ( 0.000 -0.092 -3.369) 3.371 5.213 ( 0.000 0.092 -3.369) 3.371 5.405 ( 0.000 -7.613 -12.277) 14.446 5.405 ( 0.000 7.613 -12.277) 14.446 5.510 ( 0.000 -6.023 -6.235) 8.669 5.510 ( 0.000 6.023 -6.235) 8.669 5.645 ( 0.000 -3.508 4.204) 5.475 5.645 ( 0.000 3.508 4.204) 5.475 6.109 ( 0.000 -2.293 -3.650) 4.311 6.109 ( 0.000 2.293 -3.650) 4.311 6.281 ( 0.000 -2.475 -4.906) 5.495 6.281 ( 0.000 2.475 -4.906) 5.495 6.390 ( 0.000 -6.572 -6.248) 9.068 6.390 ( 0.000 6.572 -6.248) 9.068 6.455 ( 0.000 -3.363 7.028) 7.791 6.455 ( 0.000 3.363 7.028) 7.791 6.624 ( 0.000 -2.481 4.351) 5.008 6.624 ( 0.000 2.481 4.351) 5.008 6.891 ( 0.000 -3.048 0.551) 3.097 6.891 ( 0.000 3.048 0.551) 3.097 6.931 ( 0.000 -0.960 4.202) 4.310 6.931 ( 0.000 0.960 4.202) 4.310 7.007 ( 0.000 -6.501 -0.111) 6.502 7.007 ( 0.000 6.501 -0.111) 6.502 7.388 ( 0.000 -0.509 0.698) 0.863 7.388 ( 0.000 0.509 0.698) 0.863 7.445 ( 0.000 -0.985 -4.530) 4.635 7.445 ( 0.000 0.985 -4.530) 4.635 7.716 ( 0.000 -2.234 5.277) 5.730 7.716 ( 0.000 2.234 5.277) 5.730 7.852 ( 0.000 -1.403 0.269) 1.429 7.852 ( 0.000 1.403 0.269) 1.429 8.133 ( 0.000 -6.409 -5.539) 8.471 8.133 ( 0.000 6.409 -5.539) 8.471 8.405 ( 0.000 -7.305 -2.868) 7.848 8.405 ( 0.000 7.305 -2.868) 7.848 10.824 ( 0.000 -0.071 0.055) 0.090 10.824 ( 0.000 0.071 0.055) 0.090 10.872 ( 0.000 -1.239 0.248) 1.264 10.872 ( 0.000 1.239 0.248) 1.264 10.971 ( 0.000 -0.387 1.173) 1.235 10.971 ( 0.000 0.387 1.173) 1.235 11.047 ( 0.000 -2.363 5.647) 6.121 11.047 ( 0.000 2.363 5.647) 6.121 11.228 ( 0.000 -1.071 -3.799) 3.947 11.228 ( 0.000 1.071 -3.799) 3.947 11.327 ( 0.000 -4.453 -7.281) 8.535 11.327 ( 0.000 4.453 -7.281) 8.535 12.032 ( 0.000 -0.371 2.849) 2.873 12.032 ( 0.000 0.371 2.849) 2.873 12.185 ( 0.000 -2.671 2.931) 3.966 12.185 ( 0.000 2.671 2.931) 3.966 ======================= Grid point 122 (47/60) ======================= q-point: ( 0.25 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( -4.212 -2.790 -0.548) 5.081 1.632 ( -4.212 2.790 -0.548) 5.081 1.782 ( -10.247 -3.588 -4.788) 11.866 1.782 ( -10.247 3.588 -4.788) 11.866 2.067 ( 3.370 -3.736 10.340) 11.499 2.067 ( 3.370 3.736 10.340) 11.499 2.115 ( 2.099 -1.958 10.316) 10.707 2.115 ( 2.099 1.958 10.316) 10.707 2.240 ( 6.823 -4.616 7.057) 10.847 2.240 ( 6.823 4.616 7.057) 10.847 2.511 ( -4.887 -10.266 4.679) 12.295 2.511 ( -4.887 10.266 4.679) 12.295 2.897 ( 3.303 -4.836 0.733) 5.902 2.897 ( 3.303 4.836 0.733) 5.902 3.008 ( -1.786 -4.784 -11.380) 12.474 3.008 ( -1.786 4.784 -11.380) 12.474 3.183 ( 4.628 -3.692 -14.541) 15.700 3.183 ( 4.628 3.692 -14.541) 15.700 3.336 ( 1.183 -5.453 -4.501) 7.169 3.336 ( 1.183 5.453 -4.501) 7.169 3.531 ( -2.556 -5.652 -6.543) 9.017 3.531 ( -2.556 5.652 -6.543) 9.017 3.712 ( -8.481 -5.539 -4.837) 11.225 3.712 ( -8.481 5.539 -4.837) 11.225 4.259 ( 13.336 -7.244 8.561) 17.425 4.259 ( 13.336 7.244 8.561) 17.425 4.675 ( -6.859 -8.089 12.521) 16.409 4.675 ( -6.859 8.089 12.521) 16.409 4.895 ( 2.115 -3.696 8.744) 9.726 4.895 ( 2.115 3.696 8.744) 9.726 5.007 ( -1.351 -6.191 10.039) 11.871 5.007 ( -1.351 6.191 10.039) 11.871 5.233 ( 1.748 -2.160 -5.406) 6.079 5.233 ( 1.748 2.160 -5.406) 6.079 5.331 ( -4.770 -6.748 -11.762) 14.374 5.331 ( -4.770 6.748 -11.762) 14.374 5.570 ( 3.981 -6.946 -5.651) 9.799 5.570 ( 3.981 6.946 -5.651) 9.799 5.651 ( 0.223 -3.870 2.083) 4.400 5.651 ( 0.223 3.870 2.083) 4.400 6.142 ( 3.371 -2.597 -3.047) 5.234 6.142 ( 3.371 2.597 -3.047) 5.234 6.301 ( 0.103 -2.045 -3.575) 4.120 6.301 ( 0.103 2.045 -3.575) 4.120 6.340 ( -2.328 -1.670 -2.290) 3.668 6.340 ( -2.328 1.670 -2.290) 3.668 6.437 ( -2.099 -3.902 1.151) 4.577 6.437 ( -2.099 3.902 1.151) 4.577 6.637 ( 1.737 -1.791 4.751) 5.366 6.637 ( 1.737 1.791 4.751) 5.366 6.817 ( -6.215 -2.318 4.256) 7.881 6.817 ( -6.215 2.318 4.256) 7.881 6.970 ( 3.012 -2.124 0.451) 3.713 6.970 ( 3.012 2.124 0.451) 3.713 7.024 ( 0.861 -5.563 -0.749) 5.679 7.024 ( 0.861 5.563 -0.749) 5.679 7.390 ( 0.382 -0.382 0.176) 0.568 7.390 ( 0.382 0.382 0.176) 0.568 7.430 ( -1.362 -0.917 -3.319) 3.703 7.430 ( -1.362 0.917 -3.319) 3.703 7.747 ( 2.820 -2.420 4.643) 5.947 7.747 ( 2.820 2.420 4.643) 5.947 7.838 ( -1.424 -1.807 1.127) 2.562 7.838 ( -1.424 1.807 1.127) 2.562 8.172 ( 4.040 -6.784 -5.135) 9.419 8.172 ( 4.040 6.784 -5.135) 9.419 8.365 ( -4.112 -7.281 -3.113) 8.923 8.365 ( -4.112 7.281 -3.113) 8.923 10.830 ( 0.716 -0.748 0.100) 1.040 10.830 ( 0.716 0.748 0.100) 1.040 10.867 ( -0.672 -1.248 0.139) 1.424 10.867 ( -0.672 1.248 0.139) 1.424 10.987 ( 1.650 -0.237 2.096) 2.678 10.987 ( 1.650 0.237 2.096) 2.678 11.043 ( -0.522 -2.062 5.342) 5.750 11.043 ( -0.522 2.062 5.342) 5.750 11.237 ( 1.048 -1.365 -4.575) 4.887 11.237 ( 1.048 1.365 -4.575) 4.887 11.307 ( -1.945 -4.075 -7.144) 8.451 11.307 ( -1.945 4.075 -7.144) 8.451 12.053 ( 2.245 -1.004 2.875) 3.784 12.053 ( 2.245 1.004 2.875) 3.784 12.162 ( -2.381 -2.418 2.941) 4.491 12.162 ( -2.381 2.418 2.941) 4.491 ======================= Grid point 124 (48/60) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -4.636 -1.971 -3.688) 6.243 1.631 ( -2.943 0.822 -3.688) 4.789 1.631 ( 2.943 -0.822 -3.688) 4.789 1.631 ( 4.636 1.971 -3.688) 6.243 2.113 ( -1.257 -2.862 11.299) 11.723 2.113 ( 0.529 -2.805 11.299) 11.654 2.113 ( -0.529 2.805 11.299) 11.654 2.113 ( 1.257 2.862 11.299) 11.723 2.388 ( -8.078 -9.914 7.742) 14.949 2.388 ( 8.032 -9.905 7.742) 14.919 2.388 ( -8.032 9.905 7.742) 14.919 2.388 ( 8.078 9.914 7.742) 14.949 2.960 ( -2.265 -4.618 -6.860) 8.574 2.960 ( 0.587 -4.487 -6.860) 8.218 2.960 ( -0.587 4.487 -6.860) 8.218 2.960 ( 2.265 4.618 -6.860) 8.574 3.290 ( -4.787 -5.041 -11.271) 13.242 3.290 ( 0.238 -4.438 -11.271) 12.115 3.290 ( -0.238 4.438 -11.271) 12.115 3.290 ( 4.787 5.041 -11.271) 13.242 3.568 ( -6.294 -4.259 -4.564) 8.865 3.568 ( 4.396 -3.615 -4.564) 7.295 3.568 ( -4.396 3.615 -4.564) 7.295 3.568 ( 6.294 4.259 -4.564) 8.865 4.499 ( -11.461 -9.536 10.084) 17.999 4.499 ( 7.440 -8.482 10.084) 15.132 4.499 ( -7.440 8.482 10.084) 15.132 4.499 ( 11.461 9.536 10.084) 17.999 4.955 ( -3.289 -5.294 11.004) 12.647 4.955 ( 2.030 -5.134 11.004) 12.311 4.955 ( -2.030 5.134 11.004) 12.311 4.955 ( 3.289 5.294 11.004) 12.647 5.268 ( -2.133 -4.219 -9.632) 10.729 5.268 ( 1.930 -4.194 -9.632) 10.681 5.268 ( -1.930 4.194 -9.632) 10.681 5.268 ( 2.133 4.219 -9.632) 10.729 5.632 ( -1.882 -6.283 -2.100) 6.887 5.632 ( 1.368 -6.249 -2.100) 6.733 5.632 ( -1.368 6.249 -2.100) 6.733 5.632 ( 1.882 6.283 -2.100) 6.887 6.222 ( -4.989 -2.017 -1.341) 5.546 6.222 ( -3.057 0.426 -1.341) 3.365 6.222 ( 3.057 -0.426 -1.341) 3.365 6.222 ( 4.989 2.017 -1.341) 5.546 6.384 ( -3.425 -6.581 -2.552) 7.845 6.384 ( 3.345 -6.570 -2.552) 7.802 6.384 ( -3.345 6.570 -2.552) 7.802 6.384 ( 3.425 6.581 -2.552) 7.845 6.702 ( -4.022 -4.634 5.138) 8.003 6.702 ( -0.524 -4.183 5.138) 6.646 6.702 ( 0.524 4.183 5.138) 6.646 6.702 ( 4.022 4.634 5.138) 8.003 7.018 ( -1.271 -5.907 -0.833) 6.099 7.018 ( 1.004 -5.894 -0.833) 6.036 7.018 ( -1.004 5.894 -0.833) 6.036 7.018 ( 1.271 5.907 -0.833) 6.099 7.405 ( -0.917 -0.997 -1.336) 1.903 7.405 ( -0.034 -0.885 -1.336) 1.603 7.405 ( 0.034 0.885 -1.336) 1.603 7.405 ( 0.917 0.997 -1.336) 1.903 7.800 ( -2.631 -2.388 2.996) 4.647 7.800 ( 2.542 -2.363 2.996) 4.585 7.800 ( -2.542 2.363 2.996) 4.585 7.800 ( 2.631 2.388 2.996) 4.647 8.268 ( -5.820 -7.256 -3.997) 10.124 8.268 ( 5.690 -7.230 -3.997) 10.031 8.268 ( -5.690 7.230 -3.997) 10.031 8.268 ( 5.820 7.256 -3.997) 10.124 10.848 ( -1.126 -1.173 0.104) 1.629 10.848 ( 0.919 -1.127 0.104) 1.458 10.848 ( -0.919 1.127 0.104) 1.458 10.848 ( 1.126 1.173 0.104) 1.629 11.022 ( -1.560 -1.596 4.043) 4.618 11.022 ( 0.426 -1.409 4.043) 4.302 11.022 ( -0.426 1.409 4.043) 4.302 11.022 ( 1.560 1.596 4.043) 4.618 11.267 ( -1.987 -2.981 -6.210) 7.170 11.267 ( 1.734 -2.942 -6.210) 7.087 11.267 ( -1.734 2.942 -6.210) 7.087 11.267 ( 1.987 2.981 -6.210) 7.170 12.107 ( -1.808 -5.263 2.927) 6.288 12.107 ( 0.105 -5.185 2.927) 5.955 12.107 ( -0.105 5.185 2.927) 5.955 12.107 ( 1.808 5.263 2.927) 6.288 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 0.000 0.000 -6.395) 6.395 1.121 ( 0.000 0.000 6.395) 6.395 1.647 ( 0.000 0.000 -0.563) 0.563 1.647 ( 0.000 0.000 0.563) 0.563 1.892 ( 0.000 0.000 -6.539) 6.539 1.892 ( 0.000 0.000 6.539) 6.539 2.017 ( 0.000 0.000 -2.429) 2.429 2.017 ( 0.000 0.000 2.429) 2.429 2.184 ( 0.000 0.000 -23.263) 23.263 2.184 ( 0.000 0.000 23.263) 23.263 2.247 ( 0.000 0.000 -5.470) 5.470 2.247 ( 0.000 0.000 5.470) 5.470 2.749 ( 0.000 0.000 -8.487) 8.487 2.749 ( 0.000 0.000 8.487) 8.487 2.835 ( 0.000 0.000 -8.904) 8.904 2.835 ( 0.000 0.000 8.904) 8.904 3.320 ( 0.000 0.000 -1.733) 1.733 3.320 ( 0.000 0.000 1.733) 1.733 3.393 ( 0.000 0.000 -7.645) 7.645 3.393 ( 0.000 0.000 7.645) 7.645 4.005 ( 0.000 0.000 -23.037) 23.037 4.005 ( 0.000 0.000 23.037) 23.037 4.096 ( 0.000 0.000 -23.674) 23.674 4.096 ( 0.000 0.000 23.674) 23.674 4.228 ( 0.000 0.000 -16.136) 16.136 4.228 ( 0.000 0.000 16.136) 16.136 4.612 ( 0.000 0.000 -13.799) 13.799 4.612 ( 0.000 0.000 13.799) 13.799 4.710 ( 0.000 0.000 -1.027) 1.027 4.710 ( 0.000 0.000 1.027) 1.027 4.920 ( 0.000 0.000 -5.000) 5.000 4.920 ( 0.000 0.000 5.000) 5.000 5.033 ( 0.000 0.000 -14.722) 14.722 5.033 ( 0.000 0.000 14.722) 14.722 5.101 ( 0.000 0.000 -3.324) 3.324 5.101 ( 0.000 0.000 3.324) 3.324 5.591 ( 0.000 0.000 -8.603) 8.603 5.591 ( 0.000 0.000 8.603) 8.603 5.964 ( 0.000 0.000 -1.332) 1.332 5.964 ( 0.000 0.000 1.332) 1.332 6.031 ( 0.000 0.000 -22.077) 22.077 6.031 ( 0.000 0.000 22.077) 22.077 6.165 ( 0.000 0.000 -7.683) 7.683 6.165 ( 0.000 0.000 7.683) 7.683 6.203 ( 0.000 0.000 -6.370) 6.370 6.203 ( 0.000 0.000 6.370) 6.370 6.664 ( 0.000 0.000 -1.080) 1.080 6.664 ( 0.000 0.000 1.080) 1.080 6.771 ( 0.000 0.000 -3.442) 3.442 6.771 ( 0.000 0.000 3.442) 3.442 6.863 ( 0.000 0.000 -3.055) 3.055 6.863 ( 0.000 0.000 3.055) 3.055 6.976 ( 0.000 0.000 -6.226) 6.226 6.976 ( 0.000 0.000 6.226) 6.226 7.184 ( 0.000 0.000 -1.406) 1.406 7.184 ( 0.000 0.000 1.406) 1.406 7.247 ( 0.000 0.000 -2.875) 2.875 7.247 ( 0.000 0.000 2.875) 2.875 7.552 ( 0.000 0.000 -3.526) 3.526 7.552 ( 0.000 0.000 3.526) 3.526 7.667 ( 0.000 0.000 -0.367) 0.367 7.667 ( 0.000 0.000 0.367) 0.367 7.699 ( 0.000 0.000 -8.757) 8.757 7.699 ( 0.000 0.000 8.757) 8.757 8.043 ( 0.000 0.000 -14.184) 14.184 8.043 ( 0.000 0.000 14.184) 14.184 8.777 ( 0.000 0.000 -10.093) 10.093 8.777 ( 0.000 0.000 10.093) 10.093 10.826 ( 0.000 0.000 -1.107) 1.107 10.826 ( 0.000 0.000 1.107) 1.107 10.869 ( 0.000 0.000 -2.669) 2.669 10.869 ( 0.000 0.000 2.669) 2.669 10.883 ( 0.000 0.000 -2.399) 2.399 10.883 ( 0.000 0.000 2.399) 2.399 10.974 ( 0.000 0.000 -3.030) 3.030 10.974 ( 0.000 0.000 3.030) 3.030 11.049 ( 0.000 0.000 -1.922) 1.922 11.049 ( 0.000 0.000 1.922) 1.922 11.318 ( 0.000 0.000 -6.909) 6.909 11.318 ( 0.000 0.000 6.909) 6.909 11.997 ( 0.000 0.000 -1.386) 1.386 11.997 ( 0.000 0.000 1.386) 1.386 12.466 ( 0.000 0.000 -4.542) 4.542 12.466 ( 0.000 0.000 4.542) 4.542 ======================= Grid point 142 (50/60) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 0.510 0.000 -4.533) 4.562 1.128 ( 0.510 0.000 4.533) 4.562 1.632 ( -1.171 0.000 -0.675) 1.352 1.632 ( -1.171 0.000 0.675) 1.352 1.686 ( -11.884 0.000 -6.025) 13.324 1.686 ( -11.884 0.000 6.025) 13.324 2.165 ( 8.181 0.000 -23.945) 25.304 2.165 ( 8.181 0.000 23.945) 25.304 2.262 ( 7.735 0.000 -21.139) 22.510 2.262 ( 7.735 0.000 21.139) 22.510 2.303 ( 3.265 0.000 -16.479) 16.799 2.303 ( 3.265 0.000 16.479) 16.799 2.716 ( -10.585 0.000 -14.848) 18.235 2.716 ( -10.585 0.000 14.848) 18.235 2.797 ( 4.346 0.000 -7.836) 8.961 2.797 ( 4.346 0.000 7.836) 8.961 3.314 ( -0.162 0.000 -3.354) 3.358 3.314 ( -0.162 0.000 3.354) 3.358 3.502 ( 9.703 0.000 -14.995) 17.861 3.502 ( 9.703 0.000 14.995) 17.861 3.903 ( -12.650 0.000 -12.430) 17.735 3.903 ( -12.650 0.000 12.430) 17.735 3.918 ( -8.304 0.000 -21.076) 22.652 3.918 ( -8.304 0.000 21.076) 22.652 4.269 ( -1.792 0.000 -6.450) 6.694 4.269 ( -1.792 0.000 6.450) 6.694 4.640 ( 4.639 0.000 -13.848) 14.605 4.640 ( 4.639 0.000 13.848) 14.605 4.778 ( 6.101 0.000 -2.668) 6.659 4.778 ( 6.101 0.000 2.668) 6.659 4.896 ( -1.917 0.000 -6.191) 6.481 4.896 ( -1.917 0.000 6.191) 6.481 5.071 ( -3.159 0.000 -3.306) 4.573 5.071 ( -3.159 0.000 3.306) 4.573 5.140 ( 7.610 0.000 -11.551) 13.833 5.140 ( 7.610 0.000 11.551) 13.833 5.582 ( -0.811 0.000 -5.914) 5.970 5.582 ( -0.811 0.000 5.914) 5.970 5.935 ( -2.025 0.000 -2.678) 3.357 5.935 ( -2.025 0.000 2.678) 3.357 6.037 ( 0.675 0.000 -15.636) 15.651 6.037 ( 0.675 0.000 15.636) 15.651 6.222 ( 6.046 0.000 -12.672) 14.041 6.222 ( 6.046 0.000 12.672) 14.041 6.284 ( 7.400 0.000 -7.617) 10.619 6.284 ( 7.400 0.000 7.617) 10.619 6.573 ( -8.824 0.000 -3.398) 9.456 6.573 ( -8.824 0.000 3.398) 9.456 6.642 ( -9.172 0.000 -7.597) 11.910 6.642 ( -9.172 0.000 7.597) 11.910 6.959 ( 5.529 0.000 -4.868) 7.367 6.959 ( 5.529 0.000 4.868) 7.367 7.004 ( 1.993 0.000 -4.060) 4.523 7.004 ( 1.993 0.000 4.060) 4.523 7.159 ( -1.877 0.000 -0.594) 1.969 7.159 ( -1.877 0.000 0.594) 1.969 7.234 ( -1.287 0.000 -2.580) 2.883 7.234 ( -1.287 0.000 2.580) 2.883 7.530 ( -1.851 0.000 -1.721) 2.527 7.530 ( -1.851 0.000 1.721) 2.527 7.667 ( -0.007 0.000 -0.259) 0.260 7.667 ( -0.007 0.000 0.259) 0.260 7.691 ( -0.383 0.000 -5.438) 5.451 7.691 ( -0.383 0.000 5.438) 5.451 8.115 ( 5.867 0.000 -10.591) 12.107 8.115 ( 5.867 0.000 10.591) 12.107 8.744 ( -2.947 0.000 -8.033) 8.557 8.744 ( -2.947 0.000 8.033) 8.557 10.833 ( 0.656 0.000 -1.424) 1.568 10.833 ( 0.656 0.000 1.424) 1.568 10.867 ( -0.327 0.000 -2.502) 2.524 10.867 ( -0.327 0.000 2.502) 2.524 10.883 ( -0.047 0.000 -1.676) 1.677 10.883 ( -0.047 0.000 1.676) 1.677 10.974 ( 0.033 0.000 -2.123) 2.123 10.974 ( 0.033 0.000 2.123) 2.123 11.072 ( 2.206 0.000 -2.423) 3.277 11.072 ( 2.206 0.000 2.423) 3.277 11.295 ( -2.192 0.000 -5.709) 6.116 11.295 ( -2.192 0.000 5.709) 6.116 12.008 ( 1.001 0.000 -1.058) 1.457 12.008 ( 1.001 0.000 1.058) 1.457 12.451 ( -1.336 0.000 -3.288) 3.550 12.451 ( -1.336 0.000 3.288) 3.550 ======================= Grid point 144 (51/60) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 0.000 0.000 0.000) 0.000 1.133 ( 0.000 0.000 0.000) 0.000 1.565 ( 0.000 0.000 0.000) 0.000 1.565 ( 0.000 0.000 0.000) 0.000 1.619 ( 0.000 0.000 0.000) 0.000 1.619 ( 0.000 0.000 0.000) 0.000 2.272 ( 0.000 0.000 0.000) 0.000 2.272 ( 0.000 0.000 0.000) 0.000 2.310 ( -0.000 0.000 -0.000) 0.000 2.310 ( 0.000 0.000 0.000) 0.000 2.394 ( -0.000 0.000 0.000) 0.000 2.394 ( 0.000 0.000 0.000) 0.000 2.555 ( 0.000 0.000 -0.000) 0.000 2.555 ( 0.000 0.000 0.000) 0.000 2.850 ( 0.000 0.000 0.000) 0.000 2.850 ( 0.000 0.000 0.000) 0.000 3.321 ( 0.000 0.000 0.000) 0.000 3.321 ( 0.000 0.000 0.000) 0.000 3.656 ( -0.000 0.000 -0.000) 0.000 3.656 ( -0.000 0.000 0.000) 0.000 3.761 ( 0.000 0.000 0.000) 0.000 3.761 ( 0.000 0.000 0.000) 0.000 3.777 ( 0.000 0.000 0.000) 0.000 3.777 ( 0.000 0.000 0.000) 0.000 4.232 ( -0.000 0.000 0.000) 0.000 4.232 ( 0.000 0.000 0.000) 0.000 4.709 ( -0.000 0.000 0.000) 0.000 4.709 ( 0.000 0.000 0.000) 0.000 4.861 ( 0.000 0.000 0.000) 0.000 4.861 ( 0.000 0.000 0.000) 0.000 4.867 ( 0.000 0.000 0.000) 0.000 4.867 ( 0.000 0.000 0.000) 0.000 5.020 ( 0.000 0.000 0.000) 0.000 5.020 ( 0.000 0.000 0.000) 0.000 5.220 ( 0.000 0.000 0.000) 0.000 5.220 ( 0.000 0.000 0.000) 0.000 5.572 ( 0.000 0.000 0.000) 0.000 5.572 ( 0.000 0.000 0.000) 0.000 5.914 ( 0.000 0.000 0.000) 0.000 5.914 ( 0.000 0.000 0.000) 0.000 6.046 ( 0.000 0.000 -0.000) 0.000 6.046 ( 0.000 0.000 0.000) 0.000 6.367 ( -0.000 0.000 -0.000) 0.000 6.367 ( -0.000 0.000 0.000) 0.000 6.396 ( 0.000 0.000 -0.000) 0.000 6.396 ( 0.000 0.000 0.000) 0.000 6.408 ( 0.000 0.000 0.000) 0.000 6.408 ( -0.000 0.000 0.000) 0.000 6.503 ( 0.000 0.000 0.000) 0.000 6.503 ( 0.000 0.000 0.000) 0.000 7.017 ( 0.000 0.000 0.000) 0.000 7.017 ( 0.000 0.000 0.000) 0.000 7.022 ( 0.000 0.000 0.000) 0.000 7.022 ( 0.000 0.000 0.000) 0.000 7.142 ( 0.000 0.000 0.000) 0.000 7.142 ( 0.000 0.000 0.000) 0.000 7.216 ( 0.000 0.000 0.000) 0.000 7.216 ( 0.000 0.000 0.000) 0.000 7.509 ( 0.000 0.000 0.000) 0.000 7.509 ( 0.000 0.000 0.000) 0.000 7.667 ( 0.000 0.000 0.000) 0.000 7.667 ( 0.000 0.000 0.000) 0.000 7.688 ( 0.000 0.000 0.000) 0.000 7.688 ( 0.000 0.000 0.000) 0.000 8.183 ( 0.000 0.000 0.000) 0.000 8.183 ( 0.000 0.000 0.000) 0.000 8.707 ( 0.000 0.000 0.000) 0.000 8.707 ( 0.000 0.000 0.000) 0.000 10.842 ( 0.000 0.000 0.000) 0.000 10.842 ( 0.000 0.000 0.000) 0.000 10.861 ( 0.000 0.000 0.000) 0.000 10.861 ( 0.000 0.000 0.000) 0.000 10.882 ( 0.000 0.000 0.000) 0.000 10.882 ( 0.000 0.000 0.000) 0.000 10.975 ( 0.000 0.000 -0.000) 0.000 10.975 ( 0.000 0.000 0.000) 0.000 11.102 ( 0.000 0.000 0.000) 0.000 11.102 ( 0.000 0.000 0.000) 0.000 11.265 ( 0.000 0.000 0.000) 0.000 11.265 ( 0.000 0.000 0.000) 0.000 12.020 ( 0.000 0.000 0.000) 0.000 12.020 ( 0.000 0.000 0.000) 0.000 12.435 ( -0.000 0.000 0.000) 0.000 12.435 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 150 (52/60) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 0.000 17.159 -5.169) 17.921 1.345 ( 0.000 17.159 5.169) 17.921 1.720 ( 0.000 5.950 -0.805) 6.004 1.720 ( 0.000 5.950 0.805) 6.004 1.938 ( 0.000 4.780 -2.416) 5.356 1.938 ( 0.000 4.780 2.416) 5.356 2.013 ( 0.000 0.863 -6.490) 6.547 2.013 ( 0.000 0.863 6.490) 6.547 2.239 ( 0.000 4.513 -19.365) 19.884 2.239 ( 0.000 4.513 19.365) 19.884 2.293 ( 0.000 4.252 -1.508) 4.512 2.293 ( 0.000 4.252 1.508) 4.512 2.773 ( 0.000 1.831 -10.250) 10.412 2.773 ( 0.000 1.831 10.250) 10.412 2.839 ( 0.000 1.250 -8.631) 8.721 2.839 ( 0.000 1.250 8.631) 8.721 3.136 ( 0.000 -11.274 -0.361) 11.280 3.136 ( 0.000 -11.274 0.361) 11.280 3.474 ( 0.000 1.266 -7.089) 7.201 3.474 ( 0.000 1.266 7.089) 7.201 3.819 ( 0.000 -11.570 -14.548) 18.588 3.819 ( 0.000 -11.571 14.548) 18.588 4.022 ( 0.000 -8.189 -22.951) 24.368 4.022 ( 0.000 -8.189 22.951) 24.368 4.320 ( 0.000 3.198 -22.443) 22.670 4.320 ( 0.000 3.198 22.443) 22.670 4.678 ( 0.000 2.446 -8.753) 9.088 4.678 ( 0.000 2.446 8.753) 9.088 4.719 ( 0.000 6.893 -3.769) 7.857 4.719 ( 0.000 6.893 3.769) 7.857 4.953 ( 0.000 2.072 -9.227) 9.457 4.953 ( 0.000 2.072 9.227) 9.457 5.037 ( 0.000 4.183 -5.249) 6.711 5.037 ( 0.000 4.183 5.249) 6.711 5.226 ( 0.000 7.292 -4.600) 8.622 5.226 ( 0.000 7.292 4.600) 8.622 5.577 ( 0.000 -2.017 -9.527) 9.738 5.577 ( 0.000 -2.017 9.527) 9.738 5.793 ( 0.000 -9.313 -6.849) 11.560 5.793 ( 0.000 -9.313 6.849) 11.560 6.047 ( 0.000 -2.231 -7.389) 7.719 6.047 ( 0.000 -2.231 7.389) 7.719 6.216 ( 0.000 1.899 -4.634) 5.008 6.216 ( 0.000 1.899 4.634) 5.008 6.293 ( 0.000 8.825 -2.076) 9.066 6.293 ( 0.000 8.825 2.076) 9.066 6.540 ( 0.000 -7.751 -2.366) 8.104 6.540 ( 0.000 -7.751 2.366) 8.104 6.704 ( 0.000 -4.757 -2.305) 5.286 6.704 ( 0.000 -4.757 2.305) 5.286 6.914 ( 0.000 2.214 -4.356) 4.886 6.914 ( 0.000 2.214 4.356) 4.886 7.005 ( 0.000 0.527 -5.809) 5.833 7.005 ( 0.000 0.527 5.809) 5.833 7.209 ( 0.000 -2.644 -4.369) 5.107 7.209 ( 0.000 -2.644 4.369) 5.107 7.251 ( 0.000 4.708 -1.120) 4.839 7.251 ( 0.000 4.708 1.120) 4.839 7.504 ( 0.000 -3.895 -1.298) 4.106 7.504 ( 0.000 -3.895 1.298) 4.106 7.706 ( 0.000 2.994 -0.584) 3.050 7.706 ( 0.000 2.994 0.584) 3.050 7.722 ( 0.000 2.556 -7.750) 8.160 7.722 ( 0.000 2.556 7.750) 8.160 8.038 ( 0.000 -0.343 -13.541) 13.545 8.038 ( 0.000 -0.343 13.541) 13.545 8.686 ( 0.000 -8.149 -9.139) 12.244 8.686 ( 0.000 -8.149 9.139) 12.244 10.816 ( 0.000 -0.450 -0.747) 0.872 10.816 ( 0.000 -0.450 0.747) 0.872 10.866 ( 0.000 0.147 -2.128) 2.133 10.866 ( 0.000 0.147 2.128) 2.133 10.944 ( 0.000 4.348 -0.961) 4.453 10.944 ( 0.000 4.348 0.961) 4.453 11.004 ( 0.000 2.111 -3.121) 3.768 11.004 ( 0.000 2.111 3.121) 3.768 11.071 ( 0.000 2.724 -2.753) 3.873 11.071 ( 0.000 2.724 2.753) 3.873 11.297 ( 0.000 -1.914 -6.987) 7.244 11.297 ( 0.000 -1.914 6.987) 7.244 12.001 ( 0.000 0.516 -1.032) 1.154 12.001 ( 0.000 0.516 1.032) 1.154 12.416 ( 0.000 -4.641 -3.813) 6.007 12.416 ( 0.000 -4.641 3.813) 6.007 ======================= Grid point 152 (53/60) ======================= q-point: ( 0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 0.636 16.449 -3.469) 16.823 1.350 ( 0.636 16.449 3.469) 16.823 1.679 ( -8.491 1.431 -2.754) 9.040 1.679 ( -8.491 1.431 2.754) 9.040 1.739 ( -4.781 8.239 -2.917) 9.963 1.739 ( -4.781 8.239 2.917) 9.963 2.189 ( 8.621 3.184 -21.467) 23.352 2.189 ( 8.621 3.184 21.467) 23.352 2.274 ( 3.440 2.600 -18.765) 19.254 2.274 ( 3.440 2.600 18.765) 19.254 2.364 ( 5.025 4.006 -11.009) 12.748 2.364 ( 5.025 4.006 11.009) 12.748 2.693 ( -8.842 -1.335 -14.400) 16.951 2.693 ( -8.842 -1.335 14.400) 16.951 2.842 ( 3.296 3.551 -7.658) 9.062 2.842 ( 3.296 3.551 7.658) 9.062 3.211 ( 5.362 -7.857 -5.891) 11.189 3.211 ( 5.362 -7.857 5.891) 11.189 3.498 ( 2.854 -1.989 -9.980) 10.569 3.498 ( 2.854 -1.989 9.980) 10.569 3.704 ( -9.982 -10.909 -8.612) 17.112 3.704 ( -9.982 -10.909 8.612) 17.112 3.946 ( -6.445 -4.395 -7.062) 10.523 3.946 ( -6.445 -4.395 7.062) 10.523 4.344 ( 0.349 4.913 -13.383) 14.261 4.344 ( 0.349 4.913 13.383) 14.261 4.675 ( 2.366 3.407 -10.046) 10.869 4.675 ( 2.366 3.407 10.046) 10.869 4.770 ( 3.297 2.474 -1.733) 4.471 4.770 ( 3.297 2.474 1.733) 4.471 4.944 ( -1.827 3.166 -7.416) 8.268 4.944 ( -1.827 3.166 7.416) 8.268 5.091 ( 4.926 2.403 -1.630) 5.718 5.091 ( 4.926 2.403 1.630) 5.718 5.215 ( -1.198 5.753 -6.714) 8.923 5.215 ( -1.198 5.753 6.714) 8.923 5.582 ( 0.388 -1.051 -7.159) 7.246 5.582 ( 0.388 -1.051 7.159) 7.246 5.788 ( -0.420 -8.773 -5.013) 10.113 5.788 ( -0.420 -8.773 5.013) 10.113 6.056 ( 1.708 -1.371 -8.627) 8.901 6.056 ( 1.708 -1.371 8.627) 8.901 6.261 ( 1.216 2.005 -4.510) 5.083 6.261 ( 1.216 2.005 4.510) 5.083 6.333 ( 6.624 4.765 -8.353) 11.677 6.333 ( 6.624 4.765 8.353) 11.677 6.480 ( -4.510 -3.925 -2.232) 6.382 6.480 ( -4.510 -3.925 2.232) 6.382 6.707 ( -4.277 -0.293 -2.678) 5.054 6.707 ( -4.277 -0.293 2.678) 5.054 6.815 ( -3.994 -4.138 -4.973) 7.603 6.815 ( -3.994 -4.138 4.973) 7.603 7.050 ( 1.944 -0.593 -4.487) 4.926 7.050 ( 1.944 -0.593 4.487) 4.926 7.206 ( -0.733 -2.644 -3.664) 4.577 7.206 ( -0.733 -2.644 3.664) 4.577 7.252 ( 0.703 6.190 -0.254) 6.235 7.252 ( 0.703 6.190 0.254) 6.235 7.490 ( -1.264 -3.263 -0.815) 3.593 7.490 ( -1.264 -3.263 0.815) 3.593 7.707 ( 0.092 3.149 -0.674) 3.222 7.707 ( 0.092 3.149 0.674) 3.222 7.715 ( -0.412 2.814 -5.692) 6.363 7.715 ( -0.412 2.814 5.692) 6.363 8.104 ( 5.603 -0.850 -10.311) 11.765 8.104 ( 5.603 -0.850 10.311) 11.765 8.652 ( -3.088 -8.255 -7.465) 11.551 8.652 ( -3.088 -8.255 7.465) 11.551 10.823 ( 0.653 -0.336 -1.285) 1.480 10.823 ( 0.653 -0.336 1.285) 1.480 10.861 ( -0.508 -0.035 -2.078) 2.140 10.861 ( -0.508 -0.035 2.078) 2.140 10.951 ( 0.589 4.938 -1.376) 5.159 10.951 ( 0.589 4.938 1.376) 5.159 11.004 ( -0.059 2.285 -2.922) 3.710 11.004 ( -0.059 2.285 2.922) 3.710 11.090 ( 1.905 2.047 -2.977) 4.084 11.090 ( 1.905 2.047 2.977) 4.084 11.273 ( -2.287 -1.968 -5.970) 6.689 11.273 ( -2.287 -1.968 5.970) 6.689 12.012 ( 0.987 0.515 -0.819) 1.382 12.012 ( 0.987 0.515 0.819) 1.382 12.401 ( -1.262 -4.578 -2.775) 5.500 12.401 ( -1.262 -4.578 2.775) 5.500 ======================= Grid point 154 (54/60) ======================= q-point: (-0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 0.000 16.988 0.000) 16.988 1.363 ( 0.000 16.988 0.000) 16.988 1.560 ( 0.000 -0.362 0.000) 0.362 1.560 ( 0.000 -0.362 0.000) 0.362 1.718 ( -0.000 9.313 0.000) 9.313 1.718 ( 0.000 9.313 0.000) 9.313 2.302 ( 0.000 5.082 -0.000) 5.082 2.302 ( 0.000 5.082 0.000) 5.082 2.306 ( -0.000 -0.349 -0.000) 0.349 2.306 ( -0.000 -0.349 0.000) 0.349 2.411 ( 0.000 1.941 -0.000) 1.941 2.411 ( -0.000 1.941 0.000) 1.941 2.579 ( 0.000 1.012 0.000) 1.012 2.579 ( 0.000 1.012 0.000) 1.012 2.887 ( -0.000 3.024 0.000) 3.024 2.887 ( 0.000 3.024 0.000) 3.024 3.278 ( 0.000 -3.883 0.000) 3.883 3.278 ( 0.000 -3.883 0.000) 3.883 3.540 ( 0.000 -12.320 -0.000) 12.320 3.540 ( -0.000 -12.320 -0.000) 12.320 3.579 ( -0.000 -5.646 0.000) 5.646 3.579 ( 0.000 -5.646 0.000) 5.646 3.865 ( 0.000 -1.220 0.000) 1.220 3.865 ( 0.000 -1.220 -0.000) 1.220 4.336 ( -0.000 8.089 0.000) 8.089 4.336 ( 0.000 8.089 0.000) 8.089 4.724 ( -0.000 2.456 0.000) 2.456 4.724 ( 0.000 2.456 0.000) 2.456 4.804 ( 0.000 -1.319 -0.000) 1.319 4.804 ( 0.000 -1.319 0.000) 1.319 4.911 ( 0.000 3.882 0.000) 3.882 4.911 ( 0.000 3.882 0.000) 3.882 5.159 ( -0.000 8.624 0.000) 8.624 5.159 ( 0.000 8.624 0.000) 8.624 5.187 ( -0.000 -1.830 -0.000) 1.830 5.187 ( 0.000 -1.830 0.000) 1.830 5.586 ( 0.000 -0.387 0.000) 0.387 5.586 ( 0.000 -0.387 0.000) 0.387 5.784 ( 0.000 -8.214 0.000) 8.214 5.784 ( 0.000 -8.214 0.000) 8.214 6.088 ( -0.000 0.654 -0.000) 0.654 6.088 ( 0.000 0.654 0.000) 0.654 6.260 ( 0.000 -4.197 0.000) 4.197 6.260 ( 0.000 -4.197 0.000) 4.197 6.416 ( 0.000 2.138 -0.000) 2.138 6.416 ( 0.000 2.138 -0.000) 2.138 6.504 ( -0.000 3.140 0.000) 3.140 6.504 ( 0.000 3.140 0.000) 3.140 6.548 ( -0.000 3.535 0.000) 3.535 6.548 ( 0.000 3.535 0.000) 3.535 6.806 ( 0.000 -9.350 0.000) 9.350 6.806 ( 0.000 -9.350 0.000) 9.350 7.068 ( 0.000 -0.556 0.000) 0.556 7.068 ( 0.000 -0.556 0.000) 0.556 7.193 ( 0.000 -2.469 -0.000) 2.469 7.193 ( 0.000 -2.469 0.000) 2.469 7.266 ( 0.000 6.501 -0.000) 6.501 7.266 ( 0.000 6.501 0.000) 6.501 7.475 ( 0.000 -2.714 0.000) 2.714 7.475 ( 0.000 -2.714 0.000) 2.714 7.708 ( -0.000 3.607 -0.000) 3.607 7.708 ( 0.000 3.607 -0.000) 3.607 7.712 ( -0.000 2.527 0.000) 2.527 7.712 ( 0.000 2.527 0.000) 2.527 8.171 ( 0.000 -0.967 0.000) 0.967 8.171 ( 0.000 -0.967 0.000) 0.967 8.612 ( 0.000 -8.520 0.000) 8.520 8.612 ( 0.000 -8.520 0.000) 8.520 10.833 ( 0.000 -0.025 -0.000) 0.025 10.833 ( 0.000 -0.025 -0.000) 0.025 10.852 ( -0.000 -0.440 0.000) 0.440 10.852 ( 0.000 -0.440 0.000) 0.440 10.958 ( -0.000 5.812 0.000) 5.812 10.958 ( 0.000 5.812 0.000) 5.812 11.003 ( 0.000 2.090 -0.000) 2.090 11.003 ( 0.000 2.090 -0.000) 2.090 11.118 ( 0.000 1.645 0.000) 1.645 11.118 ( 0.000 1.645 0.000) 1.645 11.241 ( 0.000 -2.189 0.000) 2.189 11.241 ( 0.000 -2.189 0.000) 2.189 12.024 ( 0.000 0.523 0.000) 0.523 12.024 ( 0.000 0.523 0.000) 0.523 12.386 ( 0.000 -4.524 0.000) 4.524 12.386 ( 0.000 -4.524 0.000) 4.524 ======================= Grid point 160 (55/60) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 0.000 7.951 -4.296) 9.037 1.621 ( 0.000 7.951 4.296) 9.037 1.810 ( 0.000 1.643 -3.809) 4.148 1.810 ( 0.000 1.643 3.809) 4.148 2.038 ( 0.000 5.323 -1.919) 5.658 2.038 ( 0.000 5.323 1.919) 5.658 2.148 ( 0.000 9.467 -8.299) 12.590 2.148 ( 0.000 9.467 8.299) 12.590 2.323 ( 0.000 2.652 -7.083) 7.563 2.323 ( 0.000 2.652 7.083) 7.563 2.422 ( 0.000 8.463 -9.177) 12.484 2.422 ( 0.000 8.463 9.177) 12.484 2.804 ( 0.000 1.300 -15.295) 15.351 2.804 ( 0.000 1.300 15.295) 15.351 2.905 ( 0.000 1.848 -9.671) 9.846 2.905 ( 0.000 1.848 9.671) 9.846 2.937 ( 0.000 -4.239 -1.060) 4.369 2.937 ( 0.000 -4.239 1.060) 4.369 3.400 ( 0.000 -6.570 -7.780) 10.183 3.400 ( 0.000 -6.570 7.780) 10.183 3.651 ( 0.000 -5.636 -2.683) 6.242 3.651 ( 0.000 -5.636 2.683) 6.242 3.782 ( 0.000 -12.789 -19.937) 23.686 3.782 ( 0.000 -12.789 19.937) 23.686 4.316 ( 0.000 -1.848 -16.539) 16.642 4.316 ( 0.000 -1.848 16.539) 16.642 4.792 ( 0.000 7.840 -6.499) 10.184 4.792 ( 0.000 7.840 6.499) 10.184 4.899 ( 0.000 8.740 -1.553) 8.877 4.899 ( 0.000 8.740 1.553) 8.877 5.005 ( 0.000 3.018 -6.023) 6.737 5.005 ( 0.000 3.018 6.023) 6.737 5.147 ( 0.000 3.424 -0.352) 3.442 5.147 ( 0.000 3.424 0.352) 3.442 5.310 ( 0.000 -0.636 -2.962) 3.029 5.310 ( 0.000 -0.636 2.962) 3.029 5.497 ( 0.000 -4.553 -11.471) 12.342 5.497 ( 0.000 -4.553 11.471) 12.342 5.673 ( 0.000 -1.218 -0.810) 1.463 5.673 ( 0.000 -1.218 0.810) 1.463 6.010 ( 0.000 0.957 -1.127) 1.478 6.010 ( 0.000 0.957 1.127) 1.478 6.240 ( 0.000 -1.412 -6.967) 7.109 6.240 ( 0.000 -1.412 6.967) 7.109 6.408 ( 0.000 -5.272 -3.110) 6.121 6.408 ( 0.000 -5.272 3.110) 6.121 6.457 ( 0.000 6.353 -1.830) 6.611 6.457 ( 0.000 6.353 1.830) 6.611 6.640 ( 0.000 -0.230 -0.102) 0.252 6.640 ( 0.000 -0.230 0.102) 0.252 6.926 ( 0.000 -0.930 -4.235) 4.336 6.926 ( 0.000 -0.930 4.235) 4.336 6.983 ( 0.000 -1.837 -6.097) 6.368 6.983 ( 0.000 -1.837 6.097) 6.368 7.117 ( 0.000 -5.379 -2.718) 6.027 7.117 ( 0.000 -5.379 2.718) 6.027 7.351 ( 0.000 3.671 -0.024) 3.671 7.351 ( 0.000 3.671 0.024) 3.671 7.424 ( 0.000 -3.258 -0.682) 3.328 7.424 ( 0.000 -3.258 0.682) 3.328 7.768 ( 0.000 2.892 -2.155) 3.607 7.768 ( 0.000 2.892 2.155) 3.607 7.794 ( 0.000 3.482 -3.301) 4.798 7.794 ( 0.000 3.482 3.301) 4.798 8.042 ( 0.000 1.085 -10.585) 10.641 8.042 ( 0.000 1.085 10.585) 10.641 8.492 ( 0.000 -9.437 -6.905) 11.693 8.492 ( 0.000 -9.437 6.905) 11.693 10.816 ( 0.000 0.363 -0.194) 0.412 10.816 ( 0.000 0.363 0.194) 0.412 10.871 ( 0.000 0.317 -1.348) 1.385 10.871 ( 0.000 0.317 1.348) 1.385 10.985 ( 0.000 0.059 -0.243) 0.250 10.985 ( 0.000 0.059 0.243) 0.250 11.086 ( 0.000 5.054 -3.904) 6.386 11.086 ( 0.000 5.054 3.904) 6.386 11.145 ( 0.000 3.491 -2.358) 4.212 11.145 ( 0.000 3.491 2.358) 4.212 11.249 ( 0.000 -2.599 -6.803) 7.283 11.249 ( 0.000 -2.599 6.803) 7.283 12.025 ( 0.000 1.990 -0.228) 2.003 12.025 ( 0.000 1.990 0.228) 2.003 12.298 ( 0.000 -6.155 -2.229) 6.546 12.298 ( 0.000 -6.155 2.229) 6.546 ======================= Grid point 162 (56/60) ======================= q-point: ( 0.25 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -3.376 4.449 -1.896) 5.898 1.569 ( -3.376 4.449 1.896) 5.898 1.703 ( -9.421 0.739 -3.532) 10.088 1.703 ( -9.421 0.739 3.532) 10.088 2.009 ( 0.445 15.390 -0.319) 15.400 2.009 ( 0.445 15.390 0.319) 15.400 2.256 ( 5.345 1.991 -5.034) 7.608 2.256 ( 5.345 1.991 5.034) 7.608 2.385 ( 5.330 4.711 -2.880) 7.674 2.385 ( 5.330 4.711 2.880) 7.674 2.453 ( 3.131 5.656 -4.334) 7.783 2.453 ( 3.131 5.656 4.334) 7.783 2.693 ( -7.359 3.281 -10.516) 13.248 2.693 ( -7.359 3.281 10.516) 13.248 2.918 ( 1.410 2.908 -5.471) 6.355 2.918 ( 1.410 2.908 5.471) 6.355 3.058 ( 8.456 -6.107 -7.692) 12.960 3.058 ( 8.456 -6.107 7.692) 12.960 3.383 ( -2.456 -7.073 -10.223) 12.671 3.383 ( -2.456 -7.073 10.223) 12.671 3.542 ( -7.773 -5.707 -7.294) 12.091 3.542 ( -7.773 -5.707 7.294) 12.091 3.759 ( -2.769 -11.569 -7.826) 14.239 3.759 ( -2.769 -11.569 7.826) 14.239 4.413 ( 7.941 2.075 -13.616) 15.898 4.413 ( 7.941 2.075 13.616) 15.898 4.779 ( -1.039 5.953 -11.237) 12.759 4.779 ( -1.039 5.953 11.237) 12.759 4.892 ( -1.000 7.511 -9.797) 12.385 4.892 ( -1.000 7.511 9.797) 12.385 5.005 ( -0.499 3.280 -7.666) 8.353 5.005 ( -0.499 3.280 7.666) 8.353 5.155 ( 1.243 1.701 -4.145) 4.649 5.155 ( 1.243 1.701 4.145) 4.649 5.283 ( -2.153 -1.188 -2.607) 3.584 5.283 ( -2.153 -1.188 2.607) 3.584 5.523 ( 1.840 -3.119 -9.463) 10.132 5.523 ( 1.840 -3.119 9.463) 10.132 5.670 ( -0.216 -1.630 -0.848) 1.850 5.670 ( -0.216 -1.630 0.848) 1.850 6.038 ( 3.032 1.419 -1.151) 3.540 6.038 ( 3.032 1.419 1.151) 3.540 6.277 ( 0.435 -1.375 -5.893) 6.067 6.277 ( 0.435 -1.375 5.893) 6.067 6.362 ( -0.034 -2.685 -2.367) 3.580 6.362 ( -0.034 -2.685 2.367) 3.580 6.472 ( 0.163 1.390 -3.814) 4.062 6.472 ( 0.163 1.390 3.814) 4.062 6.645 ( 0.245 -0.139 -1.008) 1.047 6.645 ( 0.245 -0.139 1.008) 1.047 6.833 ( -7.577 2.148 -4.773) 9.209 6.833 ( -7.577 2.148 4.773) 9.209 7.009 ( 1.857 -2.717 -5.320) 6.256 7.009 ( 1.857 -2.717 5.320) 6.256 7.120 ( -0.107 -5.349 -3.725) 6.519 7.120 ( -0.107 -5.349 3.725) 6.519 7.349 ( -0.068 3.072 -0.349) 3.093 7.349 ( -0.068 3.072 0.349) 3.093 7.423 ( -0.115 -2.731 -0.521) 2.783 7.423 ( -0.115 -2.731 0.521) 2.783 7.777 ( 0.690 3.527 -1.909) 4.069 7.777 ( 0.690 3.527 1.909) 4.069 7.794 ( -0.027 3.751 -2.462) 4.487 7.794 ( -0.027 3.751 2.462) 4.487 8.094 ( 4.853 0.306 -8.772) 10.030 8.094 ( 4.853 0.306 8.772) 10.030 8.455 ( -3.552 -9.680 -6.166) 12.015 8.455 ( -3.552 -9.680 6.166) 12.015 10.824 ( 0.810 0.348 -0.817) 1.202 10.824 ( 0.810 0.348 0.817) 1.202 10.865 ( -0.766 0.271 -1.379) 1.600 10.865 ( -0.766 0.271 1.379) 1.600 11.006 ( 2.206 0.673 -0.486) 2.357 11.006 ( 2.206 0.673 0.486) 2.357 11.087 ( -0.225 4.976 -4.308) 6.586 11.087 ( -0.225 4.976 4.308) 6.586 11.148 ( 0.478 2.800 -2.991) 4.125 11.148 ( 0.478 2.800 2.991) 4.125 11.225 ( -2.277 -2.417 -6.467) 7.270 11.225 ( -2.277 -2.417 6.467) 7.270 12.038 ( 1.164 2.230 -0.368) 2.542 12.038 ( 1.164 2.230 0.368) 2.542 12.283 ( -1.324 -6.336 -1.678) 6.687 12.283 ( -1.324 -6.336 1.678) 6.687 ======================= Grid point 164 (57/60) ======================= q-point: (-0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( -0.000 0.533 -0.000) 0.533 1.560 ( 0.000 0.533 -0.000) 0.533 1.573 ( -0.000 2.870 0.000) 2.870 1.573 ( 0.000 2.870 0.000) 2.870 2.018 ( 0.000 17.631 0.000) 17.631 2.018 ( 0.000 17.631 0.000) 17.631 2.301 ( 0.000 0.013 0.000) 0.013 2.301 ( -0.000 0.013 0.000) 0.013 2.466 ( 0.000 2.624 -0.000) 2.624 2.466 ( 0.000 2.624 0.000) 2.624 2.487 ( 0.000 5.687 -0.000) 5.687 2.487 ( -0.000 5.687 0.000) 5.687 2.600 ( 0.000 7.471 -0.000) 7.471 2.600 ( -0.000 7.471 0.000) 7.471 2.936 ( -0.000 0.698 0.000) 0.698 2.936 ( 0.000 0.698 0.000) 0.698 3.186 ( 0.000 -4.380 -0.000) 4.380 3.186 ( 0.000 -4.380 0.000) 4.380 3.295 ( 0.000 -10.789 0.000) 10.789 3.295 ( 0.000 -10.789 0.000) 10.789 3.484 ( 0.000 -2.823 0.000) 2.823 3.484 ( 0.000 -2.823 0.000) 2.823 3.719 ( -0.000 -11.392 -0.000) 11.392 3.719 ( 0.000 -11.392 -0.000) 11.392 4.506 ( 0.000 8.528 0.000) 8.528 4.506 ( 0.000 8.528 0.000) 8.528 4.771 ( -0.000 -0.364 0.000) 0.364 4.771 ( 0.000 -0.364 0.000) 0.364 4.867 ( -0.000 6.711 -0.000) 6.711 4.867 ( 0.000 6.711 -0.000) 6.711 5.000 ( 0.000 4.927 0.000) 4.927 5.000 ( 0.000 4.927 0.000) 4.927 5.174 ( 0.000 -0.802 -0.000) 0.802 5.174 ( 0.000 -0.802 0.000) 0.802 5.258 ( 0.000 -0.741 0.000) 0.741 5.258 ( 0.000 -0.741 0.000) 0.741 5.542 ( 0.000 -1.390 -0.000) 1.390 5.542 ( 0.000 -1.390 0.000) 1.390 5.668 ( 0.000 -2.554 -0.000) 2.554 5.668 ( -0.000 -2.554 0.000) 2.554 6.090 ( -0.000 1.230 0.000) 1.230 6.090 ( 0.000 1.230 0.000) 1.230 6.231 ( 0.000 0.212 -0.000) 0.212 6.231 ( 0.000 0.212 -0.000) 0.212 6.430 ( -0.000 -1.664 -0.000) 1.664 6.430 ( 0.000 -1.664 -0.000) 1.664 6.453 ( -0.000 -6.793 0.000) 6.793 6.453 ( 0.000 -6.793 0.000) 6.793 6.644 ( -0.000 5.817 0.000) 5.817 6.644 ( 0.000 5.817 0.000) 5.817 6.738 ( -0.000 1.857 0.000) 1.857 6.738 ( 0.000 1.857 0.000) 1.857 7.033 ( 0.000 -2.524 -0.000) 2.524 7.033 ( 0.000 -2.524 0.000) 2.524 7.114 ( 0.000 -4.995 -0.000) 4.995 7.114 ( 0.000 -4.995 0.000) 4.995 7.349 ( 0.000 2.285 0.000) 2.285 7.349 ( 0.000 2.285 0.000) 2.285 7.421 ( 0.000 -2.178 0.000) 2.178 7.421 ( 0.000 -2.178 0.000) 2.178 7.785 ( -0.000 3.923 -0.000) 3.923 7.785 ( 0.000 3.923 -0.000) 3.923 7.793 ( -0.000 3.991 0.000) 3.991 7.793 ( 0.000 3.991 0.000) 3.991 8.160 ( 0.000 0.471 0.000) 0.471 8.160 ( 0.000 0.471 0.000) 0.471 8.404 ( -0.000 -10.591 -0.000) 10.591 8.404 ( 0.000 -10.591 0.000) 10.591 10.840 ( -0.000 0.521 -0.000) 0.521 10.840 ( 0.000 0.521 -0.000) 0.521 10.849 ( -0.000 0.038 0.000) 0.038 10.849 ( 0.000 0.038 0.000) 0.038 11.043 ( -0.000 1.914 0.000) 1.914 11.043 ( 0.000 1.914 0.000) 1.914 11.074 ( 0.000 4.242 -0.000) 4.242 11.074 ( 0.000 4.242 0.000) 4.242 11.162 ( -0.000 2.114 -0.000) 2.114 11.162 ( 0.000 2.114 -0.000) 2.114 11.189 ( -0.000 -2.211 0.000) 2.211 11.189 ( 0.000 -2.211 0.000) 2.211 12.053 ( 0.000 2.599 0.000) 2.599 12.053 ( 0.000 2.599 0.000) 2.599 12.267 ( 0.000 -6.647 0.000) 6.647 12.267 ( 0.000 -6.647 0.000) 6.647 ======================= Grid point 170 (58/60) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 0.000 0.000 0.000) 0.000 1.696 ( 0.000 0.000 0.000) 0.000 1.818 ( 0.000 0.000 -0.000) 0.000 1.818 ( 0.000 0.000 0.000) 0.000 2.114 ( 0.000 0.000 0.000) 0.000 2.114 ( 0.000 0.000 0.000) 0.000 2.246 ( 0.000 0.000 0.000) 0.000 2.246 ( 0.000 0.000 0.000) 0.000 2.350 ( 0.000 0.000 0.000) 0.000 2.350 ( 0.000 0.000 0.000) 0.000 2.531 ( 0.000 0.000 0.000) 0.000 2.531 ( 0.000 0.000 0.000) 0.000 2.812 ( 0.000 0.000 0.000) 0.000 2.812 ( 0.000 0.000 0.000) 0.000 2.889 ( 0.000 0.000 -0.000) 0.000 2.889 ( 0.000 0.000 0.000) 0.000 2.965 ( 0.000 0.000 0.000) 0.000 2.965 ( 0.000 0.000 0.000) 0.000 3.355 ( 0.000 0.000 0.000) 0.000 3.355 ( 0.000 0.000 0.000) 0.000 3.494 ( 0.000 0.000 0.000) 0.000 3.494 ( 0.000 0.000 0.000) 0.000 3.673 ( 0.000 0.000 0.000) 0.000 3.673 ( 0.000 0.000 0.000) 0.000 4.294 ( 0.000 0.000 0.000) 0.000 4.294 ( 0.000 0.000 0.000) 0.000 4.891 ( 0.000 0.000 0.000) 0.000 4.891 ( 0.000 0.000 0.000) 0.000 5.036 ( 0.000 0.000 -0.000) 0.000 5.036 ( 0.000 0.000 0.000) 0.000 5.057 ( 0.000 -0.000 -0.000) 0.000 5.057 ( 0.000 0.000 0.000) 0.000 5.129 ( 0.000 0.000 0.000) 0.000 5.129 ( 0.000 0.000 0.000) 0.000 5.251 ( 0.000 0.000 -0.000) 0.000 5.251 ( 0.000 -0.000 0.000) 0.000 5.451 ( 0.000 -0.000 -0.000) 0.000 5.451 ( 0.000 0.000 0.000) 0.000 5.699 ( 0.000 0.000 0.000) 0.000 5.699 ( 0.000 0.000 0.000) 0.000 6.061 ( 0.000 -0.000 0.000) 0.000 6.061 ( 0.000 0.000 0.000) 0.000 6.182 ( 0.000 -0.000 0.000) 0.000 6.182 ( 0.000 0.000 0.000) 0.000 6.339 ( 0.000 0.000 0.000) 0.000 6.339 ( 0.000 0.000 0.000) 0.000 6.528 ( 0.000 0.000 0.000) 0.000 6.528 ( 0.000 0.000 0.000) 0.000 6.665 ( 0.000 0.000 0.000) 0.000 6.665 ( 0.000 0.000 0.000) 0.000 6.894 ( 0.000 -0.000 -0.000) 0.000 6.894 ( 0.000 0.000 0.000) 0.000 6.976 ( 0.000 0.000 0.000) 0.000 6.976 ( 0.000 0.000 0.000) 0.000 7.039 ( 0.000 0.000 0.000) 0.000 7.039 ( 0.000 0.000 0.000) 0.000 7.382 ( 0.000 0.000 0.000) 0.000 7.382 ( 0.000 0.000 0.000) 0.000 7.395 ( 0.000 0.000 0.000) 0.000 7.395 ( 0.000 -0.000 0.000) 0.000 7.802 ( 0.000 0.000 -0.000) 0.000 7.802 ( 0.000 0.000 0.000) 0.000 7.833 ( 0.000 0.000 -0.000) 0.000 7.833 ( 0.000 0.000 0.000) 0.000 8.068 ( 0.000 0.000 0.000) 0.000 8.068 ( 0.000 0.000 0.000) 0.000 8.373 ( 0.000 0.000 0.000) 0.000 8.373 ( 0.000 0.000 0.000) 0.000 10.822 ( 0.000 0.000 0.000) 0.000 10.822 ( 0.000 0.000 0.000) 0.000 10.875 ( 0.000 0.000 0.000) 0.000 10.875 ( 0.000 0.000 0.000) 0.000 10.983 ( 0.000 0.000 0.000) 0.000 10.983 ( 0.000 0.000 0.000) 0.000 11.155 ( 0.000 0.000 -0.000) 0.000 11.155 ( 0.000 0.000 -0.000) 0.000 11.183 ( 0.000 0.000 0.000) 0.000 11.183 ( 0.000 0.000 0.000) 0.000 11.209 ( 0.000 0.000 -0.000) 0.000 11.209 ( 0.000 -0.000 0.000) 0.000 12.062 ( 0.000 0.000 0.000) 0.000 12.062 ( 0.000 0.000 0.000) 0.000 12.215 ( 0.000 0.000 0.000) 0.000 12.215 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 174 (59/60) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -5.719 0.000 0.000) 5.719 1.607 ( -5.719 0.000 0.000) 5.719 1.709 ( -9.057 0.000 0.000) 9.057 1.709 ( -9.057 0.000 0.000) 9.057 2.209 ( 6.556 0.000 0.000) 6.556 2.209 ( 6.556 0.000 0.000) 6.556 2.263 ( 1.181 0.000 0.000) 1.181 2.263 ( 1.181 0.000 0.000) 1.181 2.413 ( 5.108 0.000 0.000) 5.108 2.413 ( 5.108 0.000 0.000) 5.108 2.509 ( -1.523 0.000 0.000) 1.523 2.509 ( -1.523 0.000 0.000) 1.523 2.827 ( 1.562 0.000 0.000) 1.562 2.827 ( 1.562 0.000 0.000) 1.562 2.895 ( -0.886 -0.000 0.000) 0.886 2.895 ( -0.886 0.000 0.000) 0.886 3.004 ( 5.170 0.000 0.000) 5.170 3.004 ( 5.170 0.000 0.000) 5.170 3.361 ( -11.737 0.000 -0.000) 11.737 3.361 ( -11.737 0.000 0.000) 11.737 3.396 ( 4.444 0.000 0.000) 4.444 3.396 ( 4.444 -0.000 0.000) 4.444 3.624 ( -4.966 0.000 0.000) 4.966 3.624 ( -4.966 0.000 0.000) 4.966 4.437 ( 12.788 0.000 0.000) 12.788 4.437 ( 12.788 0.000 0.000) 12.788 4.846 ( -5.407 -0.000 0.000) 5.407 4.846 ( -5.407 0.000 0.000) 5.407 5.025 ( -1.222 0.000 -0.000) 1.222 5.025 ( -1.222 0.000 0.000) 1.222 5.051 ( -1.082 -0.000 -0.000) 1.082 5.051 ( -1.082 -0.000 0.000) 1.082 5.133 ( 1.263 0.000 -0.000) 1.263 5.133 ( 1.263 0.000 0.000) 1.263 5.216 ( -2.666 -0.000 -0.000) 2.666 5.216 ( -2.666 0.000 0.000) 2.666 5.503 ( 4.756 -0.000 -0.000) 4.756 5.503 ( 4.756 0.000 0.000) 4.756 5.678 ( -2.530 0.000 0.000) 2.530 5.678 ( -2.530 0.000 0.000) 2.530 6.096 ( 3.543 -0.000 0.000) 3.543 6.096 ( 3.543 0.000 0.000) 3.543 6.213 ( 1.669 0.000 0.000) 1.669 6.213 ( 1.669 0.000 0.000) 1.669 6.322 ( -0.385 0.000 0.000) 0.385 6.322 ( -0.385 0.000 0.000) 0.385 6.480 ( -4.584 0.000 -0.000) 4.584 6.480 ( -4.584 0.000 0.000) 4.584 6.682 ( 2.047 0.000 0.000) 2.047 6.682 ( 2.047 0.000 0.000) 2.047 6.852 ( -4.769 0.000 0.000) 4.769 6.852 ( -4.769 0.000 0.000) 4.769 6.993 ( 1.606 -0.000 -0.000) 1.606 6.993 ( 1.606 0.000 0.000) 1.606 7.029 ( -0.437 0.000 0.000) 0.437 7.029 ( -0.437 0.000 0.000) 0.437 7.382 ( 0.041 0.000 0.000) 0.041 7.382 ( 0.041 0.000 -0.000) 0.041 7.392 ( -0.347 -0.000 0.000) 0.347 7.392 ( -0.347 0.000 0.000) 0.347 7.821 ( 1.377 0.000 -0.000) 1.377 7.821 ( 1.377 0.000 0.000) 1.377 7.835 ( 0.194 0.000 -0.000) 0.194 7.835 ( 0.194 0.000 0.000) 0.194 8.111 ( 4.677 0.000 0.000) 4.677 8.111 ( 4.677 0.000 0.000) 4.677 8.331 ( -4.435 0.000 0.000) 4.435 8.331 ( -4.435 0.000 0.000) 4.435 10.830 ( 0.771 0.000 0.000) 0.771 10.830 ( 0.771 0.000 0.000) 0.771 10.868 ( -0.806 0.000 0.000) 0.806 10.868 ( -0.806 0.000 0.000) 0.806 11.012 ( 3.061 0.000 0.000) 3.061 11.012 ( 3.061 0.000 0.000) 3.061 11.159 ( -2.923 0.000 -0.000) 2.923 11.159 ( -2.923 0.000 0.000) 2.923 11.164 ( 0.873 -0.000 -0.000) 0.873 11.164 ( 0.873 -0.000 0.000) 0.873 11.197 ( -0.782 0.000 0.000) 0.782 11.197 ( -0.782 0.000 0.000) 0.782 12.083 ( 2.257 0.000 0.000) 2.257 12.083 ( 2.257 0.000 0.000) 2.257 12.192 ( -2.362 0.000 0.000) 2.362 12.192 ( -2.362 0.000 0.000) 2.362 ======================= Grid point 178 (60/60) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -2.911 -0.467 0.000) 2.948 1.578 ( -2.911 -0.467 0.000) 2.948 1.578 ( 2.911 0.467 0.000) 2.948 1.578 ( 2.911 0.467 0.000) 2.948 2.275 ( -0.035 -5.264 0.000) 5.264 2.275 ( -0.035 -5.264 0.000) 5.264 2.275 ( 0.035 5.264 0.000) 5.264 2.275 ( 0.035 5.264 0.000) 5.264 2.484 ( -2.057 -0.002 0.000) 2.057 2.484 ( -2.057 -0.002 0.000) 2.057 2.484 ( 2.057 0.002 0.000) 2.057 2.484 ( 2.057 0.002 0.000) 2.057 2.862 ( -0.222 -9.581 0.000) 9.584 2.862 ( -0.222 -9.581 0.000) 9.584 2.862 ( 0.222 9.581 0.000) 9.584 2.862 ( 0.222 9.581 0.000) 9.584 3.147 ( -9.201 -1.013 0.000) 9.256 3.147 ( -9.201 -1.013 0.000) 9.256 3.147 ( 9.201 1.013 0.000) 9.256 3.147 ( 9.201 1.013 0.000) 9.256 3.508 ( -3.338 -5.639 0.000) 6.553 3.508 ( -3.338 -5.639 0.000) 6.553 3.508 ( 3.338 5.639 0.000) 6.553 3.508 ( 3.338 5.639 0.000) 6.553 4.680 ( -7.544 -5.967 0.000) 9.619 4.680 ( -7.544 -5.967 0.000) 9.619 4.680 ( 7.544 5.967 0.000) 9.619 4.680 ( 7.544 5.967 0.000) 9.619 5.023 ( -0.120 -6.437 -0.000) 6.438 5.023 ( -0.120 -6.437 0.000) 6.438 5.023 ( 0.120 6.437 -0.000) 6.438 5.023 ( 0.120 6.437 0.000) 6.438 5.171 ( -0.549 -4.696 0.000) 4.728 5.171 ( -0.549 -4.696 0.000) 4.728 5.171 ( 0.549 4.696 0.000) 4.728 5.171 ( 0.549 4.696 0.000) 4.728 5.602 ( -2.525 -4.457 0.000) 5.123 5.602 ( -2.525 -4.457 0.000) 5.123 5.602 ( 2.525 4.457 0.000) 5.123 5.602 ( 2.525 4.457 0.000) 5.123 6.176 ( -1.547 -5.621 0.000) 5.830 6.176 ( -1.547 -5.621 0.000) 5.830 6.176 ( 1.547 5.621 -0.000) 5.830 6.176 ( 1.547 5.621 0.000) 5.830 6.382 ( -5.019 -0.498 0.000) 5.044 6.382 ( -5.019 -0.498 0.000) 5.044 6.382 ( 5.019 0.498 -0.000) 5.044 6.382 ( 5.019 0.498 0.000) 5.044 6.749 ( -3.491 -2.190 -0.000) 4.121 6.749 ( -3.491 -2.190 0.000) 4.121 6.749 ( 3.491 2.190 0.000) 4.121 6.749 ( 3.491 2.190 0.000) 4.121 7.020 ( -0.162 -2.701 -0.000) 2.706 7.020 ( -0.162 -2.701 0.000) 2.706 7.020 ( 0.162 2.701 0.000) 2.706 7.020 ( 0.162 2.701 0.000) 2.706 7.385 ( -0.025 -1.562 0.000) 1.563 7.385 ( -0.025 -1.562 0.000) 1.563 7.385 ( 0.025 1.562 0.000) 1.563 7.385 ( 0.025 1.562 0.000) 1.563 7.836 ( -0.064 -0.353 0.000) 0.358 7.836 ( -0.064 -0.353 0.000) 0.358 7.836 ( 0.064 0.353 -0.000) 0.358 7.836 ( 0.064 0.353 0.000) 0.358 8.223 ( -3.144 -5.537 0.000) 6.368 8.223 ( -3.144 -5.537 0.000) 6.368 8.223 ( 3.144 5.537 0.000) 6.368 8.223 ( 3.144 5.537 0.000) 6.368 10.848 ( -1.103 -0.071 0.000) 1.105 10.848 ( -1.103 -0.071 0.000) 1.105 10.848 ( 1.103 0.071 0.000) 1.105 10.848 ( 1.103 0.071 0.000) 1.105 11.086 ( -3.362 -1.331 -0.000) 3.616 11.086 ( -3.362 -1.331 0.000) 3.616 11.086 ( 3.362 1.331 -0.000) 3.616 11.086 ( 3.362 1.331 0.000) 3.616 11.182 ( -0.758 -0.208 0.000) 0.786 11.182 ( -0.758 -0.208 0.000) 0.786 11.182 ( 0.758 0.208 0.000) 0.786 11.182 ( 0.758 0.208 0.000) 0.786 12.137 ( -0.918 -5.324 0.000) 5.402 12.137 ( -0.918 -5.324 0.000) 5.402 12.137 ( 0.918 5.324 0.000) 5.402 12.137 ( 0.918 5.324 0.000) 5.402 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/16128 10.0 469.638 392.126 329.951 0.000 0.000 0.000 3/16128 20.0 103.606 120.100 136.663 0.000 0.000 0.000 3/16128 30.0 50.791 65.606 76.543 0.000 0.000 0.000 3/16128 40.0 31.160 41.567 49.576 0.000 0.000 0.000 3/16128 50.0 21.153 28.566 34.549 0.000 0.000 0.000 3/16128 60.0 15.422 20.960 25.557 0.000 0.000 0.000 3/16128 70.0 11.892 16.237 19.890 0.000 0.000 0.000 3/16128 80.0 9.581 13.131 16.128 0.000 0.000 0.000 3/16128 90.0 7.986 10.982 13.506 0.000 0.000 0.000 3/16128 100.0 6.833 9.425 11.598 0.000 0.000 0.000 3/16128 110.0 5.968 8.254 10.159 0.000 0.000 0.000 3/16128 120.0 5.298 7.346 9.039 0.000 0.000 0.000 3/16128 130.0 4.766 6.622 8.146 0.000 0.000 0.000 3/16128 140.0 4.333 6.032 7.417 0.000 0.000 0.000 3/16128 150.0 3.974 5.542 6.811 0.000 0.000 0.000 3/16128 160.0 3.671 5.129 6.300 0.000 0.000 0.000 3/16128 170.0 3.413 4.775 5.863 0.000 0.000 0.000 3/16128 180.0 3.190 4.469 5.485 0.000 0.000 0.000 3/16128 190.0 2.996 4.201 5.154 0.000 0.000 0.000 3/16128 200.0 2.825 3.965 4.862 0.000 0.000 0.000 3/16128 210.0 2.672 3.755 4.603 0.000 0.000 0.000 3/16128 220.0 2.536 3.567 4.371 0.000 0.000 0.000 3/16128 230.0 2.414 3.398 4.162 0.000 0.000 0.000 3/16128 240.0 2.303 3.244 3.973 0.000 0.000 0.000 3/16128 250.0 2.203 3.105 3.801 0.000 0.000 0.000 3/16128 260.0 2.111 2.977 3.644 0.000 0.000 0.000 3/16128 270.0 2.026 2.859 3.499 0.000 0.000 0.000 3/16128 280.0 1.949 2.751 3.366 0.000 0.000 0.000 3/16128 290.0 1.877 2.651 3.243 0.000 0.000 0.000 3/16128 300.0 1.810 2.558 3.129 0.000 0.000 0.000 3/16128 310.0 1.748 2.472 3.022 0.000 0.000 0.000 3/16128 320.0 1.691 2.391 2.923 0.000 0.000 0.000 3/16128 330.0 1.637 2.316 2.831 0.000 0.000 0.000 3/16128 340.0 1.586 2.245 2.744 0.000 0.000 0.000 3/16128 350.0 1.539 2.179 2.662 0.000 0.000 0.000 3/16128 360.0 1.494 2.116 2.586 0.000 0.000 0.000 3/16128 370.0 1.452 2.057 2.513 0.000 0.000 0.000 3/16128 380.0 1.412 2.001 2.445 0.000 0.000 0.000 3/16128 390.0 1.375 1.949 2.380 0.000 0.000 0.000 3/16128 400.0 1.339 1.899 2.319 0.000 0.000 0.000 3/16128 410.0 1.306 1.851 2.261 0.000 0.000 0.000 3/16128 420.0 1.274 1.806 2.206 0.000 0.000 0.000 3/16128 430.0 1.243 1.763 2.153 0.000 0.000 0.000 3/16128 440.0 1.214 1.722 2.103 0.000 0.000 0.000 3/16128 450.0 1.186 1.683 2.055 0.000 0.000 0.000 3/16128 460.0 1.160 1.646 2.010 0.000 0.000 0.000 3/16128 470.0 1.135 1.610 1.966 0.000 0.000 0.000 3/16128 480.0 1.110 1.576 1.924 0.000 0.000 0.000 3/16128 490.0 1.087 1.544 1.884 0.000 0.000 0.000 3/16128 500.0 1.065 1.512 1.846 0.000 0.000 0.000 3/16128 510.0 1.044 1.482 1.809 0.000 0.000 0.000 3/16128 520.0 1.023 1.453 1.774 0.000 0.000 0.000 3/16128 530.0 1.004 1.425 1.740 0.000 0.000 0.000 3/16128 540.0 0.985 1.399 1.707 0.000 0.000 0.000 3/16128 550.0 0.966 1.373 1.676 0.000 0.000 0.000 3/16128 560.0 0.949 1.348 1.645 0.000 0.000 0.000 3/16128 570.0 0.932 1.324 1.616 0.000 0.000 0.000 3/16128 580.0 0.916 1.301 1.588 0.000 0.000 0.000 3/16128 590.0 0.900 1.279 1.561 0.000 0.000 0.000 3/16128 600.0 0.885 1.257 1.534 0.000 0.000 0.000 3/16128 610.0 0.870 1.237 1.509 0.000 0.000 0.000 3/16128 620.0 0.856 1.217 1.484 0.000 0.000 0.000 3/16128 630.0 0.842 1.197 1.461 0.000 0.000 0.000 3/16128 640.0 0.829 1.178 1.438 0.000 0.000 0.000 3/16128 650.0 0.816 1.160 1.415 0.000 0.000 0.000 3/16128 660.0 0.803 1.142 1.394 0.000 0.000 0.000 3/16128 670.0 0.791 1.125 1.373 0.000 0.000 0.000 3/16128 680.0 0.779 1.108 1.352 0.000 0.000 0.000 3/16128 690.0 0.768 1.092 1.333 0.000 0.000 0.000 3/16128 700.0 0.757 1.077 1.313 0.000 0.000 0.000 3/16128 710.0 0.746 1.061 1.295 0.000 0.000 0.000 3/16128 720.0 0.736 1.046 1.277 0.000 0.000 0.000 3/16128 730.0 0.726 1.032 1.259 0.000 0.000 0.000 3/16128 740.0 0.716 1.018 1.242 0.000 0.000 0.000 3/16128 750.0 0.706 1.004 1.225 0.000 0.000 0.000 3/16128 760.0 0.697 0.991 1.209 0.000 0.000 0.000 3/16128 770.0 0.688 0.978 1.193 0.000 0.000 0.000 3/16128 780.0 0.679 0.966 1.178 0.000 0.000 0.000 3/16128 790.0 0.670 0.953 1.163 0.000 0.000 0.000 3/16128 800.0 0.662 0.941 1.148 0.000 0.000 0.000 3/16128 810.0 0.653 0.930 1.134 0.000 0.000 0.000 3/16128 820.0 0.645 0.918 1.120 0.000 0.000 0.000 3/16128 830.0 0.638 0.907 1.107 0.000 0.000 0.000 3/16128 840.0 0.630 0.896 1.093 0.000 0.000 0.000 3/16128 850.0 0.622 0.886 1.080 0.000 0.000 0.000 3/16128 860.0 0.615 0.875 1.068 0.000 0.000 0.000 3/16128 870.0 0.608 0.865 1.056 0.000 0.000 0.000 3/16128 880.0 0.601 0.856 1.043 0.000 0.000 0.000 3/16128 890.0 0.594 0.846 1.032 0.000 0.000 0.000 3/16128 900.0 0.588 0.836 1.020 0.000 0.000 0.000 3/16128 910.0 0.581 0.827 1.009 0.000 0.000 0.000 3/16128 920.0 0.575 0.818 0.998 0.000 0.000 0.000 3/16128 930.0 0.569 0.809 0.987 0.000 0.000 0.000 3/16128 940.0 0.563 0.801 0.977 0.000 0.000 0.000 3/16128 950.0 0.557 0.792 0.966 0.000 0.000 0.000 3/16128 960.0 0.551 0.784 0.956 0.000 0.000 0.000 3/16128 970.0 0.545 0.776 0.946 0.000 0.000 0.000 3/16128 980.0 0.539 0.768 0.937 0.000 0.000 0.000 3/16128 990.0 0.534 0.760 0.927 0.000 0.000 0.000 3/16128 1000.0 0.529 0.753 0.918 0.000 0.000 0.000 3/16128 Thermal conductivity related properties were written into "kappa-m468.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:07:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|