----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 14:08:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.207518520000001 0.000000000000000 0.000000000000000 b 0.000000000000000 6.367400730000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.000226200000000 Atomic positions (fractional): *1 Ca 0.27452264943058 0.25000000000000 0.51027157873132 40.078 2 Ca 0.77452264943058 0.25000000000000 0.98972842126868 40.078 3 Ca 0.72547735056942 0.75000000000000 0.48972842126868 40.078 4 Ca 0.22547735056942 0.75000000000000 0.01027157873132 40.078 *5 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 6 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 7 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 8 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 *9 Ge 0.08056889049068 0.25000000000000 0.07653041818470 72.640 10 Ge 0.58056889049068 0.25000000000000 0.42346958181530 72.640 11 Ge 0.41943110950932 0.75000000000000 0.57653041818470 72.640 12 Ge 0.91943110950932 0.75000000000000 0.92346958181530 72.640 *13 O 0.64858378818503 0.46921684400435 0.26539967457759 15.999 14 O 0.85141621181497 0.53078315599565 0.76539967457759 15.999 *15 O 0.55824729447134 0.75000000000000 0.75468449463134 15.999 16 O 0.14858378818503 0.03078315599565 0.23460032542241 15.999 17 O 0.14858378818503 0.46921684400435 0.23460032542241 15.999 *18 O 0.08008696116945 0.25000000000000 0.72755679073910 15.999 19 O 0.85141621181497 0.96921684400435 0.76539967457759 15.999 20 O 0.41991303883055 0.75000000000000 0.22755679073910 15.999 21 O 0.05824729447134 0.75000000000000 0.74531550536866 15.999 22 O 0.64858378818503 0.03078315599565 0.26539967457759 15.999 23 O 0.35141621181497 0.53078315599565 0.73460032542241 15.999 24 O 0.91991303883055 0.75000000000000 0.27244320926090 15.999 25 O 0.58008696116945 0.25000000000000 0.77244320926090 15.999 26 O 0.35141621181497 0.96921684400435 0.73460032542241 15.999 27 O 0.44175270552866 0.25000000000000 0.24531550536866 15.999 28 O 0.94175270552866 0.25000000000000 0.25468449463134 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.207518520000001 0.000000000000000 0.000000000000000 b 0.000000000000000 6.367400730000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.000226200000000 Atomic positions (fractional): *1 Ca 0.27452264943058 0.25000000000000 0.51027157873132 40.078 > 1 2 Ca 0.77452264943058 0.25000000000000 0.98972842126868 40.078 > 2 3 Ca 0.72547735056942 0.75000000000000 0.48972842126868 40.078 > 3 4 Ca 0.22547735056942 0.75000000000000 0.01027157873132 40.078 > 4 *5 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 5 6 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 6 7 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 7 8 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 8 *9 Ge 0.08056889049068 0.25000000000000 0.07653041818470 72.640 > 9 10 Ge 0.58056889049068 0.25000000000000 0.42346958181530 72.640 > 10 11 Ge 0.41943110950932 0.75000000000000 0.57653041818470 72.640 > 11 12 Ge 0.91943110950932 0.75000000000000 0.92346958181530 72.640 > 12 *13 O 0.64858378818503 0.46921684400435 0.26539967457759 15.999 > 13 14 O 0.85141621181497 0.53078315599565 0.76539967457759 15.999 > 14 *15 O 0.55824729447134 0.75000000000000 0.75468449463134 15.999 > 15 16 O 0.14858378818503 0.03078315599565 0.23460032542241 15.999 > 16 17 O 0.14858378818503 0.46921684400435 0.23460032542241 15.999 > 17 *18 O 0.08008696116945 0.25000000000000 0.72755679073910 15.999 > 18 19 O 0.85141621181497 0.96921684400435 0.76539967457759 15.999 > 19 20 O 0.41991303883055 0.75000000000000 0.22755679073910 15.999 > 20 21 O 0.05824729447134 0.75000000000000 0.74531550536866 15.999 > 21 22 O 0.64858378818503 0.03078315599565 0.26539967457759 15.999 > 22 23 O 0.35141621181497 0.53078315599565 0.73460032542241 15.999 > 23 24 O 0.91991303883055 0.75000000000000 0.27244320926090 15.999 > 24 25 O 0.58008696116945 0.25000000000000 0.77244320926090 15.999 > 25 26 O 0.35141621181497 0.96921684400435 0.73460032542241 15.999 > 26 27 O 0.44175270552866 0.25000000000000 0.24531550536866 15.999 > 27 28 O 0.94175270552866 0.25000000000000 0.25468449463134 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.207518520000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.734801460000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.000452400000000 Atomic positions (fractional): *1 Ca 0.27452264943058 0.12500000000000 0.25513578936566 40.078 > 1 2 Ca 0.27452264943058 0.62500000000000 0.25513578936566 40.078 > 1 3 Ca 0.27452264943058 0.12500000000000 0.75513578936566 40.078 > 1 4 Ca 0.27452264943058 0.62500000000000 0.75513578936566 40.078 > 1 5 Ca 0.77452264943058 0.12500000000000 0.49486421063434 40.078 > 2 6 Ca 0.77452264943058 0.62500000000000 0.49486421063434 40.078 > 2 7 Ca 0.77452264943058 0.12500000000000 0.99486421063434 40.078 > 2 8 Ca 0.77452264943058 0.62500000000000 0.99486421063434 40.078 > 2 9 Ca 0.72547735056942 0.37500000000000 0.24486421063434 40.078 > 3 10 Ca 0.72547735056942 0.87500000000000 0.24486421063434 40.078 > 3 11 Ca 0.72547735056942 0.37500000000000 0.74486421063434 40.078 > 3 12 Ca 0.72547735056942 0.87500000000000 0.74486421063434 40.078 > 3 13 Ca 0.22547735056942 0.37500000000000 0.00513578936566 40.078 > 4 14 Ca 0.22547735056942 0.87500000000000 0.00513578936566 40.078 > 4 15 Ca 0.22547735056942 0.37500000000000 0.50513578936566 40.078 > 4 16 Ca 0.22547735056942 0.87500000000000 0.50513578936566 40.078 > 4 *17 Mg 0.50000000000000 0.25000000000000 0.00000000000000 24.305 > 5 18 Mg 0.50000000000000 0.75000000000000 0.00000000000000 24.305 > 5 19 Mg 0.50000000000000 0.25000000000000 0.50000000000000 24.305 > 5 20 Mg 0.50000000000000 0.75000000000000 0.50000000000000 24.305 > 5 21 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 6 22 Mg 0.00000000000000 0.50000000000000 0.25000000000000 24.305 > 6 23 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 6 24 Mg 0.00000000000000 0.50000000000000 0.75000000000000 24.305 > 6 25 Mg 0.00000000000000 0.25000000000000 0.25000000000000 24.305 > 7 26 Mg 0.00000000000000 0.75000000000000 0.25000000000000 24.305 > 7 27 Mg 0.00000000000000 0.25000000000000 0.75000000000000 24.305 > 7 28 Mg 0.00000000000000 0.75000000000000 0.75000000000000 24.305 > 7 29 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 8 30 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 8 31 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 8 32 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 8 *33 Ge 0.08056889049068 0.12500000000000 0.03826520909235 72.640 > 9 34 Ge 0.08056889049068 0.62500000000000 0.03826520909235 72.640 > 9 35 Ge 0.08056889049068 0.12500000000000 0.53826520909235 72.640 > 9 36 Ge 0.08056889049068 0.62500000000000 0.53826520909235 72.640 > 9 37 Ge 0.58056889049068 0.12500000000000 0.21173479090765 72.640 > 10 38 Ge 0.58056889049068 0.62500000000000 0.21173479090765 72.640 > 10 39 Ge 0.58056889049068 0.12500000000000 0.71173479090765 72.640 > 10 40 Ge 0.58056889049068 0.62500000000000 0.71173479090765 72.640 > 10 41 Ge 0.41943110950932 0.37500000000000 0.28826520909235 72.640 > 11 42 Ge 0.41943110950932 0.87500000000000 0.28826520909235 72.640 > 11 43 Ge 0.41943110950932 0.37500000000000 0.78826520909235 72.640 > 11 44 Ge 0.41943110950932 0.87500000000000 0.78826520909235 72.640 > 11 45 Ge 0.91943110950932 0.37500000000000 0.46173479090765 72.640 > 12 46 Ge 0.91943110950932 0.87500000000000 0.46173479090765 72.640 > 12 47 Ge 0.91943110950932 0.37500000000000 0.96173479090765 72.640 > 12 48 Ge 0.91943110950932 0.87500000000000 0.96173479090765 72.640 > 12 *49 O 0.64858378818503 0.23460842200217 0.13269983728880 15.999 > 13 50 O 0.64858378818503 0.73460842200217 0.13269983728880 15.999 > 13 51 O 0.64858378818503 0.23460842200217 0.63269983728880 15.999 > 13 52 O 0.64858378818503 0.73460842200217 0.63269983728880 15.999 > 13 53 O 0.85141621181497 0.26539157799783 0.38269983728880 15.999 > 14 54 O 0.85141621181497 0.76539157799783 0.38269983728880 15.999 > 14 55 O 0.85141621181497 0.26539157799783 0.88269983728880 15.999 > 14 56 O 0.85141621181497 0.76539157799783 0.88269983728880 15.999 > 14 *57 O 0.55824729447134 0.37500000000000 0.37734224731567 15.999 > 15 58 O 0.55824729447134 0.87500000000000 0.37734224731567 15.999 > 15 59 O 0.55824729447134 0.37500000000000 0.87734224731567 15.999 > 15 60 O 0.55824729447134 0.87500000000000 0.87734224731567 15.999 > 15 61 O 0.14858378818503 0.01539157799783 0.11730016271120 15.999 > 16 62 O 0.14858378818503 0.51539157799783 0.11730016271120 15.999 > 16 63 O 0.14858378818503 0.01539157799783 0.61730016271120 15.999 > 16 64 O 0.14858378818503 0.51539157799783 0.61730016271120 15.999 > 16 65 O 0.14858378818503 0.23460842200217 0.11730016271120 15.999 > 17 66 O 0.14858378818503 0.73460842200217 0.11730016271120 15.999 > 17 67 O 0.14858378818503 0.23460842200217 0.61730016271120 15.999 > 17 68 O 0.14858378818503 0.73460842200217 0.61730016271120 15.999 > 17 *69 O 0.08008696116945 0.12500000000000 0.36377839536955 15.999 > 18 70 O 0.08008696116945 0.62500000000000 0.36377839536955 15.999 > 18 71 O 0.08008696116945 0.12500000000000 0.86377839536955 15.999 > 18 72 O 0.08008696116945 0.62500000000000 0.86377839536955 15.999 > 18 73 O 0.85141621181497 0.48460842200217 0.38269983728880 15.999 > 19 74 O 0.85141621181497 0.98460842200217 0.38269983728880 15.999 > 19 75 O 0.85141621181497 0.48460842200217 0.88269983728880 15.999 > 19 76 O 0.85141621181497 0.98460842200217 0.88269983728880 15.999 > 19 77 O 0.41991303883055 0.37500000000000 0.11377839536955 15.999 > 20 78 O 0.41991303883055 0.87500000000000 0.11377839536955 15.999 > 20 79 O 0.41991303883055 0.37500000000000 0.61377839536955 15.999 > 20 80 O 0.41991303883055 0.87500000000000 0.61377839536955 15.999 > 20 81 O 0.05824729447134 0.37500000000000 0.37265775268433 15.999 > 21 82 O 0.05824729447134 0.87500000000000 0.37265775268433 15.999 > 21 83 O 0.05824729447134 0.37500000000000 0.87265775268433 15.999 > 21 84 O 0.05824729447134 0.87500000000000 0.87265775268433 15.999 > 21 85 O 0.64858378818503 0.01539157799783 0.13269983728880 15.999 > 22 86 O 0.64858378818503 0.51539157799783 0.13269983728880 15.999 > 22 87 O 0.64858378818503 0.01539157799783 0.63269983728880 15.999 > 22 88 O 0.64858378818503 0.51539157799783 0.63269983728880 15.999 > 22 89 O 0.35141621181497 0.26539157799783 0.36730016271120 15.999 > 23 90 O 0.35141621181497 0.76539157799783 0.36730016271120 15.999 > 23 91 O 0.35141621181497 0.26539157799783 0.86730016271120 15.999 > 23 92 O 0.35141621181497 0.76539157799783 0.86730016271120 15.999 > 23 93 O 0.91991303883055 0.37500000000000 0.13622160463045 15.999 > 24 94 O 0.91991303883055 0.87500000000000 0.13622160463045 15.999 > 24 95 O 0.91991303883055 0.37500000000000 0.63622160463045 15.999 > 24 96 O 0.91991303883055 0.87500000000000 0.63622160463045 15.999 > 24 97 O 0.58008696116945 0.12500000000000 0.38622160463045 15.999 > 25 98 O 0.58008696116945 0.62500000000000 0.38622160463045 15.999 > 25 99 O 0.58008696116945 0.12500000000000 0.88622160463045 15.999 > 25 100 O 0.58008696116945 0.62500000000000 0.88622160463045 15.999 > 25 101 O 0.35141621181497 0.48460842200217 0.36730016271120 15.999 > 26 102 O 0.35141621181497 0.98460842200217 0.36730016271120 15.999 > 26 103 O 0.35141621181497 0.48460842200217 0.86730016271120 15.999 > 26 104 O 0.35141621181497 0.98460842200217 0.86730016271120 15.999 > 26 105 O 0.44175270552866 0.12500000000000 0.12265775268433 15.999 > 27 106 O 0.44175270552866 0.62500000000000 0.12265775268433 15.999 > 27 107 O 0.44175270552866 0.12500000000000 0.62265775268433 15.999 > 27 108 O 0.44175270552866 0.62500000000000 0.62265775268433 15.999 > 27 109 O 0.94175270552866 0.12500000000000 0.12734224731567 15.999 > 28 110 O 0.94175270552866 0.62500000000000 0.12734224731567 15.999 > 28 111 O 0.94175270552866 0.12500000000000 0.62734224731567 15.999 > 28 112 O 0.94175270552866 0.62500000000000 0.62734224731567 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1402583 0.0000000 0.0000000 0.0000000 3.1670005 0.0000000 0.0000000 0.0000000 3.3027623 -------------------------- Born effective charges -------------------------- 1 Ca 2.7876939 0.0000000 0.1138794 0.0000000 2.3684256 0.0000000 0.0092471 0.0000000 2.1093230 2 Ca 2.7876939 0.0000000 -0.1138794 0.0000000 2.3684256 0.0000000 -0.0092471 0.0000000 2.1093230 3 Ca 2.7876939 0.0000000 0.1138794 0.0000000 2.3684256 0.0000000 0.0092471 0.0000000 2.1093230 4 Ca 2.7876939 0.0000000 -0.1138794 0.0000000 2.3684256 0.0000000 -0.0092471 0.0000000 2.1093230 5 Mg 1.6392012 -0.3600262 0.1341543 -0.3086171 2.0748404 -0.1809276 -0.0363814 0.0771217 2.3569140 6 Mg 1.6392012 0.3600262 -0.1341543 0.3086171 2.0748404 -0.1809276 0.0363814 0.0771217 2.3569140 7 Mg 1.6392012 -0.3600262 -0.1341543 -0.3086171 2.0748404 0.1809276 0.0363814 -0.0771217 2.3569140 8 Mg 1.6392012 0.3600262 0.1341543 0.3086171 2.0748404 0.1809276 -0.0363814 -0.0771217 2.3569140 9 Ge 2.5932584 0.0000000 0.0361066 0.0000000 2.9230547 0.0000000 0.0241996 0.0000000 3.0341765 10 Ge 2.5932584 0.0000000 -0.0361066 0.0000000 2.9230547 0.0000000 -0.0241996 0.0000000 3.0341765 11 Ge 2.5932584 0.0000000 -0.0361066 0.0000000 2.9230547 0.0000000 -0.0241996 0.0000000 3.0341765 12 Ge 2.5932584 0.0000000 0.0361066 0.0000000 2.9230547 0.0000000 0.0241996 0.0000000 3.0341765 13 O -1.7234976 -0.2574732 0.1093767 -0.2753261 -2.1336822 -0.0118788 0.0764996 -0.0723246 -1.6782321 14 O -1.7234976 -0.2574732 -0.1093767 -0.2753261 -2.1336822 0.0118788 -0.0764996 0.0723246 -1.6782321 15 O -2.1267750 0.0000000 -0.0672788 0.0000000 -1.5658903 0.0000000 0.0391713 0.0000000 -1.7404712 16 O -1.7234976 0.2574732 -0.1093767 0.2753261 -2.1336822 -0.0118788 -0.0764996 -0.0723246 -1.6782321 17 O -1.7234976 -0.2574732 -0.1093767 -0.2753261 -2.1336822 0.0118788 -0.0764996 0.0723246 -1.6782321 18 O -1.4463833 0.0000000 0.0341006 0.0000000 -1.5330661 0.0000000 0.0339993 0.0000000 -2.4034781 19 O -1.7234976 0.2574732 -0.1093767 0.2753261 -2.1336822 -0.0118788 -0.0764996 -0.0723246 -1.6782321 20 O -1.4463833 0.0000000 -0.0341006 0.0000000 -1.5330661 0.0000000 -0.0339993 0.0000000 -2.4034781 21 O -2.1267750 0.0000000 0.0672788 0.0000000 -1.5658903 0.0000000 -0.0391713 0.0000000 -1.7404712 22 O -1.7234976 0.2574732 0.1093767 0.2753261 -2.1336822 0.0118788 0.0764996 0.0723246 -1.6782321 23 O -1.7234976 -0.2574732 0.1093767 -0.2753261 -2.1336822 -0.0118788 0.0764996 -0.0723246 -1.6782321 24 O -1.4463833 0.0000000 0.0341006 0.0000000 -1.5330661 0.0000000 0.0339993 0.0000000 -2.4034781 25 O -1.4463833 0.0000000 -0.0341006 0.0000000 -1.5330661 0.0000000 -0.0339993 0.0000000 -2.4034781 26 O -1.7234976 0.2574732 0.1093767 0.2753261 -2.1336822 0.0118788 0.0764996 0.0723246 -1.6782321 27 O -2.1267750 0.0000000 -0.0672788 0.0000000 -1.5658903 0.0000000 0.0391713 0.0000000 -1.7404712 28 O -2.1267750 0.0000000 0.0672788 0.0000000 -1.5658903 0.0000000 -0.0391713 0.0000000 -1.7404712 ---------------------------------------------------------------------------- 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: 3.074 Solver_block: 200 / 480 - Time: 3.076 Solver_block: 300 / 480 - Time: 3.083 Solver_block: 400 / 480 - Time: 3.080 Solver_block: 480 / 480 - Time: 2.496 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.862 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) 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 14:08:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:08:54]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.207518520000001 0.000000000000000 0.000000000000000 b 0.000000000000000 6.367400730000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.000226200000000 Atomic positions (fractional): 1 Ca 0.27452264943058 0.25000000000000 0.51027157873132 40.078 2 Ca 0.77452264943058 0.25000000000000 0.98972842126868 40.078 3 Ca 0.72547735056942 0.75000000000000 0.48972842126868 40.078 4 Ca 0.22547735056942 0.75000000000000 0.01027157873132 40.078 5 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 6 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 7 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 8 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 9 Ge 0.08056889049068 0.25000000000000 0.07653041818470 72.640 10 Ge 0.58056889049068 0.25000000000000 0.42346958181530 72.640 11 Ge 0.41943110950932 0.75000000000000 0.57653041818470 72.640 12 Ge 0.91943110950932 0.75000000000000 0.92346958181530 72.640 13 O 0.64858378818503 0.46921684400435 0.26539967457759 15.999 14 O 0.85141621181497 0.53078315599565 0.76539967457759 15.999 15 O 0.55824729447134 0.75000000000000 0.75468449463134 15.999 16 O 0.14858378818503 0.03078315599565 0.23460032542241 15.999 17 O 0.14858378818503 0.46921684400435 0.23460032542241 15.999 18 O 0.08008696116945 0.25000000000000 0.72755679073910 15.999 19 O 0.85141621181497 0.96921684400435 0.76539967457759 15.999 20 O 0.41991303883055 0.75000000000000 0.22755679073910 15.999 21 O 0.05824729447134 0.75000000000000 0.74531550536866 15.999 22 O 0.64858378818503 0.03078315599565 0.26539967457759 15.999 23 O 0.35141621181497 0.53078315599565 0.73460032542241 15.999 24 O 0.91991303883055 0.75000000000000 0.27244320926090 15.999 25 O 0.58008696116945 0.25000000000000 0.77244320926090 15.999 26 O 0.35141621181497 0.96921684400435 0.73460032542241 15.999 27 O 0.44175270552866 0.25000000000000 0.24531550536866 15.999 28 O 0.94175270552866 0.25000000000000 0.25468449463134 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.207518520000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.734801460000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.000452400000000 Atomic positions (fractional): 1 Ca 0.27452264943058 0.12500000000000 0.25513578936566 40.078 > 1 2 Ca 0.27452264943058 0.62500000000000 0.25513578936566 40.078 > 1 3 Ca 0.27452264943058 0.12500000000000 0.75513578936566 40.078 > 1 4 Ca 0.27452264943058 0.62500000000000 0.75513578936566 40.078 > 1 5 Ca 0.77452264943058 0.12500000000000 0.49486421063434 40.078 > 5 6 Ca 0.77452264943058 0.62500000000000 0.49486421063434 40.078 > 5 7 Ca 0.77452264943058 0.12500000000000 0.99486421063434 40.078 > 5 8 Ca 0.77452264943058 0.62500000000000 0.99486421063434 40.078 > 5 9 Ca 0.72547735056942 0.37500000000000 0.24486421063434 40.078 > 9 10 Ca 0.72547735056942 0.87500000000000 0.24486421063434 40.078 > 9 11 Ca 0.72547735056942 0.37500000000000 0.74486421063434 40.078 > 9 12 Ca 0.72547735056942 0.87500000000000 0.74486421063434 40.078 > 9 13 Ca 0.22547735056942 0.37500000000000 0.00513578936566 40.078 > 13 14 Ca 0.22547735056942 0.87500000000000 0.00513578936566 40.078 > 13 15 Ca 0.22547735056942 0.37500000000000 0.50513578936566 40.078 > 13 16 Ca 0.22547735056942 0.87500000000000 0.50513578936566 40.078 > 13 17 Mg 0.50000000000000 0.25000000000000 0.00000000000000 24.305 > 17 18 Mg 0.50000000000000 0.75000000000000 0.00000000000000 24.305 > 17 19 Mg 0.50000000000000 0.25000000000000 0.50000000000000 24.305 > 17 20 Mg 0.50000000000000 0.75000000000000 0.50000000000000 24.305 > 17 21 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 21 22 Mg 0.00000000000000 0.50000000000000 0.25000000000000 24.305 > 21 23 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 21 24 Mg 0.00000000000000 0.50000000000000 0.75000000000000 24.305 > 21 25 Mg 0.00000000000000 0.25000000000000 0.25000000000000 24.305 > 25 26 Mg 0.00000000000000 0.75000000000000 0.25000000000000 24.305 > 25 27 Mg 0.00000000000000 0.25000000000000 0.75000000000000 24.305 > 25 28 Mg 0.00000000000000 0.75000000000000 0.75000000000000 24.305 > 25 29 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 29 30 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 29 31 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 29 32 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 29 33 Ge 0.08056889049068 0.12500000000000 0.03826520909235 72.640 > 33 34 Ge 0.08056889049068 0.62500000000000 0.03826520909235 72.640 > 33 35 Ge 0.08056889049068 0.12500000000000 0.53826520909235 72.640 > 33 36 Ge 0.08056889049068 0.62500000000000 0.53826520909235 72.640 > 33 37 Ge 0.58056889049068 0.12500000000000 0.21173479090765 72.640 > 37 38 Ge 0.58056889049068 0.62500000000000 0.21173479090765 72.640 > 37 39 Ge 0.58056889049068 0.12500000000000 0.71173479090765 72.640 > 37 40 Ge 0.58056889049068 0.62500000000000 0.71173479090765 72.640 > 37 41 Ge 0.41943110950932 0.37500000000000 0.28826520909235 72.640 > 41 42 Ge 0.41943110950932 0.87500000000000 0.28826520909235 72.640 > 41 43 Ge 0.41943110950932 0.37500000000000 0.78826520909235 72.640 > 41 44 Ge 0.41943110950932 0.87500000000000 0.78826520909235 72.640 > 41 45 Ge 0.91943110950932 0.37500000000000 0.46173479090765 72.640 > 45 46 Ge 0.91943110950932 0.87500000000000 0.46173479090765 72.640 > 45 47 Ge 0.91943110950932 0.37500000000000 0.96173479090765 72.640 > 45 48 Ge 0.91943110950932 0.87500000000000 0.96173479090765 72.640 > 45 49 O 0.64858378818503 0.23460842200217 0.13269983728880 15.999 > 49 50 O 0.64858378818503 0.73460842200217 0.13269983728880 15.999 > 49 51 O 0.64858378818503 0.23460842200217 0.63269983728880 15.999 > 49 52 O 0.64858378818503 0.73460842200217 0.63269983728880 15.999 > 49 53 O 0.85141621181497 0.26539157799783 0.38269983728880 15.999 > 53 54 O 0.85141621181497 0.76539157799783 0.38269983728880 15.999 > 53 55 O 0.85141621181497 0.26539157799783 0.88269983728880 15.999 > 53 56 O 0.85141621181497 0.76539157799783 0.88269983728880 15.999 > 53 57 O 0.55824729447134 0.37500000000000 0.37734224731567 15.999 > 57 58 O 0.55824729447134 0.87500000000000 0.37734224731567 15.999 > 57 59 O 0.55824729447134 0.37500000000000 0.87734224731567 15.999 > 57 60 O 0.55824729447134 0.87500000000000 0.87734224731567 15.999 > 57 61 O 0.14858378818503 0.01539157799783 0.11730016271120 15.999 > 61 62 O 0.14858378818503 0.51539157799783 0.11730016271120 15.999 > 61 63 O 0.14858378818503 0.01539157799783 0.61730016271120 15.999 > 61 64 O 0.14858378818503 0.51539157799783 0.61730016271120 15.999 > 61 65 O 0.14858378818503 0.23460842200217 0.11730016271120 15.999 > 65 66 O 0.14858378818503 0.73460842200217 0.11730016271120 15.999 > 65 67 O 0.14858378818503 0.23460842200217 0.61730016271120 15.999 > 65 68 O 0.14858378818503 0.73460842200217 0.61730016271120 15.999 > 65 69 O 0.08008696116945 0.12500000000000 0.36377839536955 15.999 > 69 70 O 0.08008696116945 0.62500000000000 0.36377839536955 15.999 > 69 71 O 0.08008696116945 0.12500000000000 0.86377839536955 15.999 > 69 72 O 0.08008696116945 0.62500000000000 0.86377839536955 15.999 > 69 73 O 0.85141621181497 0.48460842200217 0.38269983728880 15.999 > 73 74 O 0.85141621181497 0.98460842200217 0.38269983728880 15.999 > 73 75 O 0.85141621181497 0.48460842200217 0.88269983728880 15.999 > 73 76 O 0.85141621181497 0.98460842200217 0.88269983728880 15.999 > 73 77 O 0.41991303883055 0.37500000000000 0.11377839536955 15.999 > 77 78 O 0.41991303883055 0.87500000000000 0.11377839536955 15.999 > 77 79 O 0.41991303883055 0.37500000000000 0.61377839536955 15.999 > 77 80 O 0.41991303883055 0.87500000000000 0.61377839536955 15.999 > 77 81 O 0.05824729447134 0.37500000000000 0.37265775268433 15.999 > 81 82 O 0.05824729447134 0.87500000000000 0.37265775268433 15.999 > 81 83 O 0.05824729447134 0.37500000000000 0.87265775268433 15.999 > 81 84 O 0.05824729447134 0.87500000000000 0.87265775268433 15.999 > 81 85 O 0.64858378818503 0.01539157799783 0.13269983728880 15.999 > 85 86 O 0.64858378818503 0.51539157799783 0.13269983728880 15.999 > 85 87 O 0.64858378818503 0.01539157799783 0.63269983728880 15.999 > 85 88 O 0.64858378818503 0.51539157799783 0.63269983728880 15.999 > 85 89 O 0.35141621181497 0.26539157799783 0.36730016271120 15.999 > 89 90 O 0.35141621181497 0.76539157799783 0.36730016271120 15.999 > 89 91 O 0.35141621181497 0.26539157799783 0.86730016271120 15.999 > 89 92 O 0.35141621181497 0.76539157799783 0.86730016271120 15.999 > 89 93 O 0.91991303883055 0.37500000000000 0.13622160463045 15.999 > 93 94 O 0.91991303883055 0.87500000000000 0.13622160463045 15.999 > 93 95 O 0.91991303883055 0.37500000000000 0.63622160463045 15.999 > 93 96 O 0.91991303883055 0.87500000000000 0.63622160463045 15.999 > 93 97 O 0.58008696116945 0.12500000000000 0.38622160463045 15.999 > 97 98 O 0.58008696116945 0.62500000000000 0.38622160463045 15.999 > 97 99 O 0.58008696116945 0.12500000000000 0.88622160463045 15.999 > 97 100 O 0.58008696116945 0.62500000000000 0.88622160463045 15.999 > 97 101 O 0.35141621181497 0.48460842200217 0.36730016271120 15.999 > 101 102 O 0.35141621181497 0.98460842200217 0.36730016271120 15.999 > 101 103 O 0.35141621181497 0.48460842200217 0.86730016271120 15.999 > 101 104 O 0.35141621181497 0.98460842200217 0.86730016271120 15.999 > 101 105 O 0.44175270552866 0.12500000000000 0.12265775268433 15.999 > 105 106 O 0.44175270552866 0.62500000000000 0.12265775268433 15.999 > 105 107 O 0.44175270552866 0.12500000000000 0.62265775268433 15.999 > 105 108 O 0.44175270552866 0.62500000000000 0.62265775268433 15.999 > 105 109 O 0.94175270552866 0.12500000000000 0.12734224731567 15.999 > 109 110 O 0.94175270552866 0.62500000000000 0.12734224731567 15.999 > 109 111 O 0.94175270552866 0.12500000000000 0.62734224731567 15.999 > 109 112 O 0.94175270552866 0.62500000000000 0.62734224731567 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1402583 0.0000000 0.0000000 0.0000000 3.1670005 0.0000000 0.0000000 0.0000000 3.3027623 -------------------------- Born effective charges -------------------------- 1 Ca 2.7876939 0.0000000 0.1138794 0.0000000 2.3684256 0.0000000 0.0092471 0.0000000 2.1093230 2 Ca 2.7876939 0.0000000 -0.1138794 0.0000000 2.3684256 0.0000000 -0.0092471 0.0000000 2.1093230 3 Ca 2.7876939 0.0000000 0.1138794 0.0000000 2.3684256 0.0000000 0.0092471 0.0000000 2.1093230 4 Ca 2.7876939 0.0000000 -0.1138794 0.0000000 2.3684256 0.0000000 -0.0092471 0.0000000 2.1093230 5 Mg 1.6392012 -0.3600262 0.1341543 -0.3086171 2.0748404 -0.1809276 -0.0363814 0.0771217 2.3569140 6 Mg 1.6392012 0.3600262 -0.1341543 0.3086171 2.0748404 -0.1809276 0.0363814 0.0771217 2.3569140 7 Mg 1.6392012 -0.3600262 -0.1341543 -0.3086171 2.0748404 0.1809276 0.0363814 -0.0771217 2.3569140 8 Mg 1.6392012 0.3600262 0.1341543 0.3086171 2.0748404 0.1809276 -0.0363814 -0.0771217 2.3569140 9 Ge 2.5932584 0.0000000 0.0361066 0.0000000 2.9230547 0.0000000 0.0241996 0.0000000 3.0341765 10 Ge 2.5932584 0.0000000 -0.0361066 0.0000000 2.9230547 0.0000000 -0.0241996 0.0000000 3.0341765 11 Ge 2.5932584 0.0000000 -0.0361066 0.0000000 2.9230547 0.0000000 -0.0241996 0.0000000 3.0341765 12 Ge 2.5932584 0.0000000 0.0361066 0.0000000 2.9230547 0.0000000 0.0241996 0.0000000 3.0341765 13 O -1.7234976 -0.2574732 0.1093767 -0.2753261 -2.1336822 -0.0118788 0.0764996 -0.0723246 -1.6782321 14 O -1.7234976 -0.2574732 -0.1093767 -0.2753261 -2.1336822 0.0118788 -0.0764996 0.0723246 -1.6782321 15 O -2.1267750 0.0000000 -0.0672788 0.0000000 -1.5658903 0.0000000 0.0391713 0.0000000 -1.7404712 16 O -1.7234976 0.2574732 -0.1093767 0.2753261 -2.1336822 -0.0118788 -0.0764996 -0.0723246 -1.6782321 17 O -1.7234976 -0.2574732 -0.1093767 -0.2753261 -2.1336822 0.0118788 -0.0764996 0.0723246 -1.6782321 18 O -1.4463833 0.0000000 0.0341006 0.0000000 -1.5330661 0.0000000 0.0339993 0.0000000 -2.4034781 19 O -1.7234976 0.2574732 -0.1093767 0.2753261 -2.1336822 -0.0118788 -0.0764996 -0.0723246 -1.6782321 20 O -1.4463833 0.0000000 -0.0341006 0.0000000 -1.5330661 0.0000000 -0.0339993 0.0000000 -2.4034781 21 O -2.1267750 0.0000000 0.0672788 0.0000000 -1.5658903 0.0000000 -0.0391713 0.0000000 -1.7404712 22 O -1.7234976 0.2574732 0.1093767 0.2753261 -2.1336822 0.0118788 0.0764996 0.0723246 -1.6782321 23 O -1.7234976 -0.2574732 0.1093767 -0.2753261 -2.1336822 -0.0118788 0.0764996 -0.0723246 -1.6782321 24 O -1.4463833 0.0000000 0.0341006 0.0000000 -1.5330661 0.0000000 0.0339993 0.0000000 -2.4034781 25 O -1.4463833 0.0000000 -0.0341006 0.0000000 -1.5330661 0.0000000 -0.0339993 0.0000000 -2.4034781 26 O -1.7234976 0.2574732 0.1093767 0.2753261 -2.1336822 0.0118788 0.0764996 0.0723246 -1.6782321 27 O -2.1267750 0.0000000 -0.0672788 0.0000000 -1.5658903 0.0000000 0.0391713 0.0000000 -1.7404712 28 O -2.1267750 0.0000000 0.0672788 0.0000000 -1.5658903 0.0000000 -0.0391713 0.0000000 -1.7404712 ---------------------------------------------------------------------------- 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[ 57, 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[ 69, 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 (xzx) -0.00000002 (xzx) -0.00000002 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (zy) 0.00000003 (zy) 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 14:09:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:09:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.207518520000001 0.000000000000000 0.000000000000000 b 0.000000000000000 6.367400730000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.000226200000000 Atomic positions (fractional): 1 Ca 0.27452264943058 0.25000000000000 0.51027157873132 40.078 2 Ca 0.77452264943058 0.25000000000000 0.98972842126868 40.078 3 Ca 0.72547735056942 0.75000000000000 0.48972842126868 40.078 4 Ca 0.22547735056942 0.75000000000000 0.01027157873132 40.078 5 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 6 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 7 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 8 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 9 Ge 0.08056889049068 0.25000000000000 0.07653041818470 72.640 10 Ge 0.58056889049068 0.25000000000000 0.42346958181530 72.640 11 Ge 0.41943110950932 0.75000000000000 0.57653041818470 72.640 12 Ge 0.91943110950932 0.75000000000000 0.92346958181530 72.640 13 O 0.64858378818503 0.46921684400435 0.26539967457759 15.999 14 O 0.85141621181497 0.53078315599565 0.76539967457759 15.999 15 O 0.55824729447134 0.75000000000000 0.75468449463134 15.999 16 O 0.14858378818503 0.03078315599565 0.23460032542241 15.999 17 O 0.14858378818503 0.46921684400435 0.23460032542241 15.999 18 O 0.08008696116945 0.25000000000000 0.72755679073910 15.999 19 O 0.85141621181497 0.96921684400435 0.76539967457759 15.999 20 O 0.41991303883055 0.75000000000000 0.22755679073910 15.999 21 O 0.05824729447134 0.75000000000000 0.74531550536866 15.999 22 O 0.64858378818503 0.03078315599565 0.26539967457759 15.999 23 O 0.35141621181497 0.53078315599565 0.73460032542241 15.999 24 O 0.91991303883055 0.75000000000000 0.27244320926090 15.999 25 O 0.58008696116945 0.25000000000000 0.77244320926090 15.999 26 O 0.35141621181497 0.96921684400435 0.73460032542241 15.999 27 O 0.44175270552866 0.25000000000000 0.24531550536866 15.999 28 O 0.94175270552866 0.25000000000000 0.25468449463134 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.207518520000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.734801460000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.000452400000000 Atomic positions (fractional): 1 Ca 0.27452264943058 0.12500000000000 0.25513578936566 40.078 > 1 2 Ca 0.27452264943058 0.62500000000000 0.25513578936566 40.078 > 1 3 Ca 0.27452264943058 0.12500000000000 0.75513578936566 40.078 > 1 4 Ca 0.27452264943058 0.62500000000000 0.75513578936566 40.078 > 1 5 Ca 0.77452264943058 0.12500000000000 0.49486421063434 40.078 > 5 6 Ca 0.77452264943058 0.62500000000000 0.49486421063434 40.078 > 5 7 Ca 0.77452264943058 0.12500000000000 0.99486421063434 40.078 > 5 8 Ca 0.77452264943058 0.62500000000000 0.99486421063434 40.078 > 5 9 Ca 0.72547735056942 0.37500000000000 0.24486421063434 40.078 > 9 10 Ca 0.72547735056942 0.87500000000000 0.24486421063434 40.078 > 9 11 Ca 0.72547735056942 0.37500000000000 0.74486421063434 40.078 > 9 12 Ca 0.72547735056942 0.87500000000000 0.74486421063434 40.078 > 9 13 Ca 0.22547735056942 0.37500000000000 0.00513578936566 40.078 > 13 14 Ca 0.22547735056942 0.87500000000000 0.00513578936566 40.078 > 13 15 Ca 0.22547735056942 0.37500000000000 0.50513578936566 40.078 > 13 16 Ca 0.22547735056942 0.87500000000000 0.50513578936566 40.078 > 13 17 Mg 0.50000000000000 0.25000000000000 0.00000000000000 24.305 > 17 18 Mg 0.50000000000000 0.75000000000000 0.00000000000000 24.305 > 17 19 Mg 0.50000000000000 0.25000000000000 0.50000000000000 24.305 > 17 20 Mg 0.50000000000000 0.75000000000000 0.50000000000000 24.305 > 17 21 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 21 22 Mg 0.00000000000000 0.50000000000000 0.25000000000000 24.305 > 21 23 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 21 24 Mg 0.00000000000000 0.50000000000000 0.75000000000000 24.305 > 21 25 Mg 0.00000000000000 0.25000000000000 0.25000000000000 24.305 > 25 26 Mg 0.00000000000000 0.75000000000000 0.25000000000000 24.305 > 25 27 Mg 0.00000000000000 0.25000000000000 0.75000000000000 24.305 > 25 28 Mg 0.00000000000000 0.75000000000000 0.75000000000000 24.305 > 25 29 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 29 30 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 29 31 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 29 32 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 29 33 Ge 0.08056889049068 0.12500000000000 0.03826520909235 72.640 > 33 34 Ge 0.08056889049068 0.62500000000000 0.03826520909235 72.640 > 33 35 Ge 0.08056889049068 0.12500000000000 0.53826520909235 72.640 > 33 36 Ge 0.08056889049068 0.62500000000000 0.53826520909235 72.640 > 33 37 Ge 0.58056889049068 0.12500000000000 0.21173479090765 72.640 > 37 38 Ge 0.58056889049068 0.62500000000000 0.21173479090765 72.640 > 37 39 Ge 0.58056889049068 0.12500000000000 0.71173479090765 72.640 > 37 40 Ge 0.58056889049068 0.62500000000000 0.71173479090765 72.640 > 37 41 Ge 0.41943110950932 0.37500000000000 0.28826520909235 72.640 > 41 42 Ge 0.41943110950932 0.87500000000000 0.28826520909235 72.640 > 41 43 Ge 0.41943110950932 0.37500000000000 0.78826520909235 72.640 > 41 44 Ge 0.41943110950932 0.87500000000000 0.78826520909235 72.640 > 41 45 Ge 0.91943110950932 0.37500000000000 0.46173479090765 72.640 > 45 46 Ge 0.91943110950932 0.87500000000000 0.46173479090765 72.640 > 45 47 Ge 0.91943110950932 0.37500000000000 0.96173479090765 72.640 > 45 48 Ge 0.91943110950932 0.87500000000000 0.96173479090765 72.640 > 45 49 O 0.64858378818503 0.23460842200217 0.13269983728880 15.999 > 49 50 O 0.64858378818503 0.73460842200217 0.13269983728880 15.999 > 49 51 O 0.64858378818503 0.23460842200217 0.63269983728880 15.999 > 49 52 O 0.64858378818503 0.73460842200217 0.63269983728880 15.999 > 49 53 O 0.85141621181497 0.26539157799783 0.38269983728880 15.999 > 53 54 O 0.85141621181497 0.76539157799783 0.38269983728880 15.999 > 53 55 O 0.85141621181497 0.26539157799783 0.88269983728880 15.999 > 53 56 O 0.85141621181497 0.76539157799783 0.88269983728880 15.999 > 53 57 O 0.55824729447134 0.37500000000000 0.37734224731567 15.999 > 57 58 O 0.55824729447134 0.87500000000000 0.37734224731567 15.999 > 57 59 O 0.55824729447134 0.37500000000000 0.87734224731567 15.999 > 57 60 O 0.55824729447134 0.87500000000000 0.87734224731567 15.999 > 57 61 O 0.14858378818503 0.01539157799783 0.11730016271120 15.999 > 61 62 O 0.14858378818503 0.51539157799783 0.11730016271120 15.999 > 61 63 O 0.14858378818503 0.01539157799783 0.61730016271120 15.999 > 61 64 O 0.14858378818503 0.51539157799783 0.61730016271120 15.999 > 61 65 O 0.14858378818503 0.23460842200217 0.11730016271120 15.999 > 65 66 O 0.14858378818503 0.73460842200217 0.11730016271120 15.999 > 65 67 O 0.14858378818503 0.23460842200217 0.61730016271120 15.999 > 65 68 O 0.14858378818503 0.73460842200217 0.61730016271120 15.999 > 65 69 O 0.08008696116945 0.12500000000000 0.36377839536955 15.999 > 69 70 O 0.08008696116945 0.62500000000000 0.36377839536955 15.999 > 69 71 O 0.08008696116945 0.12500000000000 0.86377839536955 15.999 > 69 72 O 0.08008696116945 0.62500000000000 0.86377839536955 15.999 > 69 73 O 0.85141621181497 0.48460842200217 0.38269983728880 15.999 > 73 74 O 0.85141621181497 0.98460842200217 0.38269983728880 15.999 > 73 75 O 0.85141621181497 0.48460842200217 0.88269983728880 15.999 > 73 76 O 0.85141621181497 0.98460842200217 0.88269983728880 15.999 > 73 77 O 0.41991303883055 0.37500000000000 0.11377839536955 15.999 > 77 78 O 0.41991303883055 0.87500000000000 0.11377839536955 15.999 > 77 79 O 0.41991303883055 0.37500000000000 0.61377839536955 15.999 > 77 80 O 0.41991303883055 0.87500000000000 0.61377839536955 15.999 > 77 81 O 0.05824729447134 0.37500000000000 0.37265775268433 15.999 > 81 82 O 0.05824729447134 0.87500000000000 0.37265775268433 15.999 > 81 83 O 0.05824729447134 0.37500000000000 0.87265775268433 15.999 > 81 84 O 0.05824729447134 0.87500000000000 0.87265775268433 15.999 > 81 85 O 0.64858378818503 0.01539157799783 0.13269983728880 15.999 > 85 86 O 0.64858378818503 0.51539157799783 0.13269983728880 15.999 > 85 87 O 0.64858378818503 0.01539157799783 0.63269983728880 15.999 > 85 88 O 0.64858378818503 0.51539157799783 0.63269983728880 15.999 > 85 89 O 0.35141621181497 0.26539157799783 0.36730016271120 15.999 > 89 90 O 0.35141621181497 0.76539157799783 0.36730016271120 15.999 > 89 91 O 0.35141621181497 0.26539157799783 0.86730016271120 15.999 > 89 92 O 0.35141621181497 0.76539157799783 0.86730016271120 15.999 > 89 93 O 0.91991303883055 0.37500000000000 0.13622160463045 15.999 > 93 94 O 0.91991303883055 0.87500000000000 0.13622160463045 15.999 > 93 95 O 0.91991303883055 0.37500000000000 0.63622160463045 15.999 > 93 96 O 0.91991303883055 0.87500000000000 0.63622160463045 15.999 > 93 97 O 0.58008696116945 0.12500000000000 0.38622160463045 15.999 > 97 98 O 0.58008696116945 0.62500000000000 0.38622160463045 15.999 > 97 99 O 0.58008696116945 0.12500000000000 0.88622160463045 15.999 > 97 100 O 0.58008696116945 0.62500000000000 0.88622160463045 15.999 > 97 101 O 0.35141621181497 0.48460842200217 0.36730016271120 15.999 > 101 102 O 0.35141621181497 0.98460842200217 0.36730016271120 15.999 > 101 103 O 0.35141621181497 0.48460842200217 0.86730016271120 15.999 > 101 104 O 0.35141621181497 0.98460842200217 0.86730016271120 15.999 > 101 105 O 0.44175270552866 0.12500000000000 0.12265775268433 15.999 > 105 106 O 0.44175270552866 0.62500000000000 0.12265775268433 15.999 > 105 107 O 0.44175270552866 0.12500000000000 0.62265775268433 15.999 > 105 108 O 0.44175270552866 0.62500000000000 0.62265775268433 15.999 > 105 109 O 0.94175270552866 0.12500000000000 0.12734224731567 15.999 > 109 110 O 0.94175270552866 0.62500000000000 0.12734224731567 15.999 > 109 111 O 0.94175270552866 0.12500000000000 0.62734224731567 15.999 > 109 112 O 0.94175270552866 0.62500000000000 0.62734224731567 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1402583 0.0000000 0.0000000 0.0000000 3.1670005 0.0000000 0.0000000 0.0000000 3.3027623 -------------------------- Born effective charges -------------------------- 1 Ca 2.7876939 0.0000000 0.1138794 0.0000000 2.3684256 0.0000000 0.0092471 0.0000000 2.1093230 2 Ca 2.7876939 0.0000000 -0.1138794 0.0000000 2.3684256 0.0000000 -0.0092471 0.0000000 2.1093230 3 Ca 2.7876939 0.0000000 0.1138794 0.0000000 2.3684256 0.0000000 0.0092471 0.0000000 2.1093230 4 Ca 2.7876939 0.0000000 -0.1138794 0.0000000 2.3684256 0.0000000 -0.0092471 0.0000000 2.1093230 5 Mg 1.6392012 -0.3600262 0.1341543 -0.3086171 2.0748404 -0.1809276 -0.0363814 0.0771217 2.3569140 6 Mg 1.6392012 0.3600262 -0.1341543 0.3086171 2.0748404 -0.1809276 0.0363814 0.0771217 2.3569140 7 Mg 1.6392012 -0.3600262 -0.1341543 -0.3086171 2.0748404 0.1809276 0.0363814 -0.0771217 2.3569140 8 Mg 1.6392012 0.3600262 0.1341543 0.3086171 2.0748404 0.1809276 -0.0363814 -0.0771217 2.3569140 9 Ge 2.5932584 0.0000000 0.0361066 0.0000000 2.9230547 0.0000000 0.0241996 0.0000000 3.0341765 10 Ge 2.5932584 0.0000000 -0.0361066 0.0000000 2.9230547 0.0000000 -0.0241996 0.0000000 3.0341765 11 Ge 2.5932584 0.0000000 -0.0361066 0.0000000 2.9230547 0.0000000 -0.0241996 0.0000000 3.0341765 12 Ge 2.5932584 0.0000000 0.0361066 0.0000000 2.9230547 0.0000000 0.0241996 0.0000000 3.0341765 13 O -1.7234976 -0.2574732 0.1093767 -0.2753261 -2.1336822 -0.0118788 0.0764996 -0.0723246 -1.6782321 14 O -1.7234976 -0.2574732 -0.1093767 -0.2753261 -2.1336822 0.0118788 -0.0764996 0.0723246 -1.6782321 15 O -2.1267750 0.0000000 -0.0672788 0.0000000 -1.5658903 0.0000000 0.0391713 0.0000000 -1.7404712 16 O -1.7234976 0.2574732 -0.1093767 0.2753261 -2.1336822 -0.0118788 -0.0764996 -0.0723246 -1.6782321 17 O -1.7234976 -0.2574732 -0.1093767 -0.2753261 -2.1336822 0.0118788 -0.0764996 0.0723246 -1.6782321 18 O -1.4463833 0.0000000 0.0341006 0.0000000 -1.5330661 0.0000000 0.0339993 0.0000000 -2.4034781 19 O -1.7234976 0.2574732 -0.1093767 0.2753261 -2.1336822 -0.0118788 -0.0764996 -0.0723246 -1.6782321 20 O -1.4463833 0.0000000 -0.0341006 0.0000000 -1.5330661 0.0000000 -0.0339993 0.0000000 -2.4034781 21 O -2.1267750 0.0000000 0.0672788 0.0000000 -1.5658903 0.0000000 -0.0391713 0.0000000 -1.7404712 22 O -1.7234976 0.2574732 0.1093767 0.2753261 -2.1336822 0.0118788 0.0764996 0.0723246 -1.6782321 23 O -1.7234976 -0.2574732 0.1093767 -0.2753261 -2.1336822 -0.0118788 0.0764996 -0.0723246 -1.6782321 24 O -1.4463833 0.0000000 0.0341006 0.0000000 -1.5330661 0.0000000 0.0339993 0.0000000 -2.4034781 25 O -1.4463833 0.0000000 -0.0341006 0.0000000 -1.5330661 0.0000000 -0.0339993 0.0000000 -2.4034781 26 O -1.7234976 0.2574732 0.1093767 0.2753261 -2.1336822 0.0118788 0.0764996 0.0723246 -1.6782321 27 O -2.1267750 0.0000000 -0.0672788 0.0000000 -1.5658903 0.0000000 0.0391713 0.0000000 -1.7404712 28 O -2.1267750 0.0000000 0.0672788 0.0000000 -1.5658903 0.0000000 -0.0391713 0.0000000 -1.7404712 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xzx) -0.00000002 (xzx) -0.00000002 (xxz) 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 8 10 ] 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: 0.59, Number of G-points: 299, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 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 2.237 ( 0.000 0.000 0.000) 0.000 3.001 ( 0.000 0.000 0.000) 0.000 3.503 ( 0.000 0.000 0.000) 0.000 3.560 ( 0.000 0.000 0.000) 0.000 3.877 ( 0.000 0.000 0.000) 0.000 4.149 ( 0.000 0.000 0.000) 0.000 4.241 ( 0.000 0.000 0.000) 0.000 4.586 ( 0.000 0.000 0.000) 0.000 5.145 ( 0.000 0.000 0.000) 0.000 5.368 ( 0.000 0.000 0.000) 0.000 5.452 ( 0.000 0.000 0.000) 0.000 5.703 ( 0.000 0.000 0.000) 0.000 5.874 ( 0.000 0.000 0.000) 0.000 5.896 ( 0.000 0.000 0.000) 0.000 6.030 ( 0.000 0.000 0.000) 0.000 6.174 ( 0.000 0.000 0.000) 0.000 6.432 ( 0.000 0.000 0.000) 0.000 6.562 ( 0.000 0.000 0.000) 0.000 6.822 ( 0.000 0.000 0.000) 0.000 6.944 ( 0.000 0.000 0.000) 0.000 6.956 ( 0.000 0.000 0.000) 0.000 7.040 ( 0.000 0.000 0.000) 0.000 7.079 ( 0.000 0.000 0.000) 0.000 7.181 ( 0.000 0.000 0.000) 0.000 7.305 ( 0.000 0.000 0.000) 0.000 7.490 ( 0.000 0.000 0.000) 0.000 7.504 ( 0.000 0.000 0.000) 0.000 8.233 ( 0.000 0.000 0.000) 0.000 8.327 ( 0.000 0.000 0.000) 0.000 8.356 ( 0.000 0.000 0.000) 0.000 8.364 ( 0.000 0.000 0.000) 0.000 8.470 ( 0.000 0.000 0.000) 0.000 8.602 ( 0.000 0.000 0.000) 0.000 8.631 ( 0.000 0.000 0.000) 0.000 9.050 ( 0.000 0.000 0.000) 0.000 9.527 ( 0.000 0.000 0.000) 0.000 9.883 ( 0.000 0.000 0.000) 0.000 10.281 ( 0.000 0.000 0.000) 0.000 10.348 ( 0.000 0.000 0.000) 0.000 10.371 ( 0.000 0.000 0.000) 0.000 10.427 ( 0.000 0.000 0.000) 0.000 10.587 ( 0.000 0.000 0.000) 0.000 10.755 ( 0.000 0.000 0.000) 0.000 10.888 ( 0.000 0.000 0.000) 0.000 10.945 ( 0.000 0.000 0.000) 0.000 10.975 ( 0.000 0.000 0.000) 0.000 10.987 ( 0.000 0.000 0.000) 0.000 11.090 ( 0.000 0.000 0.000) 0.000 11.208 ( 0.000 0.000 0.000) 0.000 11.470 ( 0.000 0.000 0.000) 0.000 11.529 ( 0.000 0.000 0.000) 0.000 12.149 ( 0.000 0.000 0.000) 0.000 12.336 ( 0.000 0.000 0.000) 0.000 12.412 ( 0.000 0.000 0.000) 0.000 12.439 ( 0.000 0.000 0.000) 0.000 12.858 ( 0.000 0.000 0.000) 0.000 13.181 ( 0.000 0.000 0.000) 0.000 13.181 ( 0.000 0.000 0.000) 0.000 13.656 ( 0.000 0.000 0.000) 0.000 13.702 ( 0.000 0.000 0.000) 0.000 13.818 ( 0.000 0.000 0.000) 0.000 13.867 ( 0.000 0.000 0.000) 0.000 13.894 ( 0.000 0.000 0.000) 0.000 14.169 ( 0.000 0.000 0.000) 0.000 14.514 ( 0.000 0.000 0.000) 0.000 18.954 ( 0.000 0.000 0.000) 0.000 19.051 ( 0.000 0.000 0.000) 0.000 19.966 ( 0.000 0.000 0.000) 0.000 20.002 ( 0.000 0.000 0.000) 0.000 20.006 ( 0.000 0.000 0.000) 0.000 20.191 ( 0.000 0.000 0.000) 0.000 20.197 ( 0.000 0.000 0.000) 0.000 21.396 ( 0.000 0.000 0.000) 0.000 21.639 ( 0.000 0.000 0.000) 0.000 21.682 ( 0.000 0.000 0.000) 0.000 21.800 ( 0.000 0.000 0.000) 0.000 22.063 ( 0.000 0.000 0.000) 0.000 22.137 ( 0.000 0.000 0.000) 0.000 22.238 ( 0.000 0.000 0.000) 0.000 22.271 ( 0.000 0.000 0.000) 0.000 22.420 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 33.208 0.000 0.000) 33.208 0.868 ( 38.561 0.000 0.000) 38.561 1.376 ( 59.900 0.000 0.000) 59.900 2.005 ( -19.099 0.000 0.000) 19.099 2.510 ( -32.481 0.000 0.000) 32.481 3.595 ( -29.165 0.000 0.000) 29.165 3.665 ( 13.035 0.000 0.000) 13.035 3.730 ( 5.903 0.000 0.000) 5.903 4.022 ( -11.419 0.000 0.000) 11.419 4.395 ( -14.805 0.000 0.000) 14.805 4.457 ( 24.831 0.000 0.000) 24.831 5.224 ( 6.094 0.000 0.000) 6.094 5.397 ( 0.682 0.000 0.000) 0.682 5.514 ( -3.147 0.000 0.000) 3.147 5.763 ( 1.859 0.000 0.000) 1.859 5.773 ( -7.509 0.000 0.000) 7.509 5.954 ( 6.495 0.000 0.000) 6.495 6.066 ( 2.960 0.000 0.000) 2.960 6.238 ( 5.359 0.000 0.000) 5.359 6.449 ( 1.375 0.000 0.000) 1.375 6.450 ( -1.889 0.000 0.000) 1.889 6.767 ( -15.275 0.000 0.000) 15.275 6.801 ( 0.398 0.000 0.000) 0.398 6.886 ( -3.887 0.000 0.000) 3.887 6.934 ( -4.692 0.000 0.000) 4.692 7.129 ( -8.837 0.000 0.000) 8.837 7.259 ( 8.781 0.000 0.000) 8.781 7.435 ( 6.419 0.000 0.000) 6.419 7.470 ( -2.572 0.000 0.000) 2.572 7.517 ( 1.594 0.000 0.000) 1.594 8.253 ( 1.805 0.000 0.000) 1.805 8.377 ( -1.903 0.000 0.000) 1.903 8.377 ( 1.218 0.000 0.000) 1.218 8.502 ( -4.453 0.000 0.000) 4.453 8.625 ( 15.770 0.000 0.000) 15.770 8.747 ( 5.837 0.000 0.000) 5.837 8.993 ( -4.494 0.000 0.000) 4.494 9.284 ( -7.927 0.000 0.000) 7.927 9.611 ( 7.093 0.000 0.000) 7.093 9.916 ( -1.865 0.000 0.000) 1.865 10.354 ( 0.590 0.000 0.000) 0.590 10.408 ( 9.782 0.000 0.000) 9.782 10.444 ( 1.470 0.000 0.000) 1.470 10.560 ( -9.202 0.000 0.000) 9.202 10.562 ( -1.610 0.000 0.000) 1.610 10.788 ( 2.214 0.000 0.000) 2.214 10.852 ( -3.773 0.000 0.000) 3.773 10.932 ( -3.882 0.000 0.000) 3.882 10.968 ( 1.471 0.000 0.000) 1.471 10.991 ( 1.780 0.000 0.000) 1.780 11.066 ( -2.282 0.000 0.000) 2.282 11.142 ( -4.760 0.000 0.000) 4.760 11.562 ( 7.134 0.000 0.000) 7.134 11.940 ( -8.247 0.000 0.000) 8.247 12.416 ( 0.347 0.000 0.000) 0.347 12.435 ( -0.321 0.000 0.000) 0.321 12.556 ( 15.104 0.000 0.000) 15.104 12.882 ( 2.144 0.000 0.000) 2.144 13.058 ( -4.180 0.000 0.000) 4.180 13.192 ( -2.029 0.000 0.000) 2.029 13.370 ( -10.354 0.000 0.000) 10.354 13.544 ( -8.272 0.000 0.000) 8.272 13.938 ( 3.717 0.000 0.000) 3.717 13.969 ( 11.430 0.000 0.000) 11.430 14.044 ( 9.746 0.000 0.000) 9.746 14.132 ( -3.161 0.000 0.000) 3.161 14.396 ( -3.700 0.000 0.000) 3.700 14.464 ( -4.314 0.000 0.000) 4.314 18.968 ( 1.195 0.000 0.000) 1.195 19.037 ( -1.213 0.000 0.000) 1.213 20.002 ( 0.049 0.000 0.000) 0.049 20.005 ( -0.070 0.000 0.000) 0.070 20.192 ( 0.100 0.000 0.000) 0.100 20.196 ( -0.055 0.000 0.000) 0.055 21.399 ( 0.297 0.000 0.000) 0.297 21.418 ( -0.359 0.000 0.000) 0.359 21.659 ( 1.711 0.000 0.000) 1.711 21.770 ( -2.354 0.000 0.000) 2.354 22.070 ( 0.545 0.000 0.000) 0.545 22.085 ( -0.107 0.000 0.000) 0.107 22.151 ( 1.150 0.000 0.000) 1.150 22.221 ( -1.404 0.000 0.000) 1.404 22.453 ( 2.696 0.000 0.000) 2.696 22.587 ( -2.107 0.000 0.000) 2.107 ======================= Grid point 2 (3/90) ======================= 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -28.717 0.000 0.000) 28.717 1.458 ( 28.717 0.000 0.000) 28.717 1.710 ( -36.487 0.000 0.000) 36.487 1.710 ( 36.487 0.000 0.000) 36.487 2.652 ( -51.272 0.000 0.000) 51.272 2.652 ( 51.272 0.000 0.000) 51.272 3.842 ( -5.691 0.000 0.000) 5.691 3.842 ( 5.691 0.000 0.000) 5.691 4.019 ( -17.503 0.000 0.000) 17.503 4.019 ( 17.503 0.000 0.000) 17.503 5.074 ( -27.772 0.000 0.000) 27.772 5.074 ( 27.772 0.000 0.000) 27.772 5.355 ( -4.451 0.000 0.000) 4.451 5.355 ( 4.451 0.000 0.000) 4.451 5.776 ( -1.418 0.000 0.000) 1.418 5.776 ( 1.418 0.000 0.000) 1.418 6.087 ( -3.159 0.000 0.000) 3.159 6.087 ( 3.159 0.000 0.000) 3.159 6.432 ( -12.762 0.000 0.000) 12.762 6.432 ( 12.762 0.000 0.000) 12.762 6.470 ( -0.357 0.000 0.000) 0.357 6.470 ( 0.357 0.000 0.000) 0.357 6.849 ( -1.620 0.000 0.000) 1.620 6.849 ( 1.620 0.000 0.000) 1.620 6.901 ( -9.137 0.000 0.000) 9.137 6.901 ( 9.137 0.000 0.000) 9.137 7.397 ( -4.214 0.000 0.000) 4.214 7.397 ( 4.214 0.000 0.000) 4.214 7.524 ( -1.512 0.000 0.000) 1.512 7.524 ( 1.512 0.000 0.000) 1.512 8.311 ( -3.198 0.000 0.000) 3.198 8.311 ( 3.198 0.000 0.000) 3.198 8.421 ( -2.776 0.000 0.000) 2.776 8.421 ( 2.776 0.000 0.000) 2.776 8.876 ( -5.649 0.000 0.000) 5.649 8.876 ( 5.649 0.000 0.000) 5.649 9.013 ( -16.088 0.000 0.000) 16.088 9.013 ( 16.088 0.000 0.000) 16.088 9.802 ( -8.349 0.000 0.000) 8.349 9.802 ( 8.349 0.000 0.000) 8.349 10.396 ( -4.164 0.000 0.000) 4.164 10.396 ( 4.164 0.000 0.000) 4.164 10.487 ( -2.105 0.000 0.000) 2.105 10.487 ( 2.105 0.000 0.000) 2.105 10.686 ( -10.704 0.000 0.000) 10.704 10.686 ( 10.704 0.000 0.000) 10.704 10.849 ( -3.284 0.000 0.000) 3.284 10.849 ( 3.284 0.000 0.000) 3.284 11.005 ( -2.259 0.000 0.000) 2.259 11.005 ( 2.259 0.000 0.000) 2.259 11.052 ( -3.270 0.000 0.000) 3.270 11.052 ( 3.270 0.000 0.000) 3.270 11.747 ( -8.867 0.000 0.000) 8.867 11.747 ( 8.867 0.000 0.000) 8.867 12.425 ( -0.472 0.000 0.000) 0.472 12.425 ( 0.472 0.000 0.000) 0.472 12.911 ( -12.650 0.000 0.000) 12.650 12.911 ( 12.650 0.000 0.000) 12.650 12.967 ( -0.345 0.000 0.000) 0.345 12.967 ( 0.345 0.000 0.000) 0.345 13.382 ( -5.941 0.000 0.000) 5.941 13.382 ( 5.941 0.000 0.000) 5.941 14.039 ( -4.810 0.000 0.000) 4.810 14.039 ( 4.810 0.000 0.000) 4.810 14.159 ( -3.361 0.000 0.000) 3.361 14.159 ( 3.361 0.000 0.000) 3.361 14.352 ( -3.381 0.000 0.000) 3.381 14.352 ( 3.381 0.000 0.000) 3.381 19.002 ( -1.702 0.000 0.000) 1.702 19.002 ( 1.702 0.000 0.000) 1.702 20.004 ( -0.083 0.000 0.000) 0.083 20.004 ( 0.083 0.000 0.000) 0.083 20.194 ( -0.110 0.000 0.000) 0.110 20.194 ( 0.110 0.000 0.000) 0.110 21.408 ( -0.455 0.000 0.000) 0.455 21.408 ( 0.455 0.000 0.000) 0.455 21.710 ( -2.711 0.000 0.000) 2.711 21.710 ( 2.711 0.000 0.000) 2.711 22.081 ( -0.325 0.000 0.000) 0.325 22.081 ( 0.325 0.000 0.000) 0.325 22.184 ( -1.711 0.000 0.000) 1.711 22.184 ( 1.711 0.000 0.000) 1.711 22.524 ( -3.284 0.000 0.000) 3.284 22.524 ( 3.284 0.000 0.000) 3.284 ======================= Grid point 5 (4/90) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 0.000 34.392 0.000) 34.392 0.721 ( 0.000 37.440 0.000) 37.440 1.281 ( 0.000 63.637 0.000) 63.637 2.405 ( 0.000 15.775 0.000) 15.775 2.994 ( 0.000 -0.179 0.000) 0.179 3.430 ( 0.000 -5.702 0.000) 5.702 3.556 ( 0.000 -1.140 0.000) 1.140 3.859 ( 0.000 -1.614 0.000) 1.614 4.094 ( 0.000 -4.880 0.000) 4.880 4.486 ( 0.000 22.155 0.000) 22.155 4.689 ( 0.000 9.588 0.000) 9.588 4.948 ( 0.000 -17.099 0.000) 17.099 5.481 ( 0.000 6.342 0.000) 6.342 5.539 ( 0.000 6.179 0.000) 6.179 5.646 ( 0.000 -5.656 0.000) 5.656 5.805 ( 0.000 -20.079 0.000) 20.079 5.894 ( 0.000 -1.934 0.000) 1.934 6.026 ( 0.000 -11.237 0.000) 11.237 6.150 ( 0.000 11.579 0.000) 11.579 6.532 ( 0.000 -2.690 0.000) 2.690 6.579 ( 0.000 7.900 0.000) 7.900 6.751 ( 0.000 -6.136 0.000) 6.136 6.860 ( 0.000 -7.911 0.000) 7.911 7.001 ( 0.000 5.467 0.000) 5.467 7.114 ( 0.000 -8.496 0.000) 8.496 7.171 ( 0.000 9.072 0.000) 9.072 7.206 ( 0.000 11.033 0.000) 11.033 7.394 ( 0.000 8.175 0.000) 8.175 7.460 ( 0.000 -2.414 0.000) 2.414 7.552 ( 0.000 6.177 0.000) 6.177 8.128 ( 0.000 -5.464 0.000) 5.464 8.199 ( 0.000 -14.646 0.000) 14.646 8.311 ( 0.000 -0.780 0.000) 0.780 8.508 ( 0.000 10.589 0.000) 10.589 8.641 ( 0.000 13.190 0.000) 13.190 8.675 ( 0.000 7.178 0.000) 7.178 8.886 ( 0.000 15.718 0.000) 15.718 9.096 ( 0.000 4.472 0.000) 4.472 9.483 ( 0.000 -4.783 0.000) 4.783 9.772 ( 0.000 -11.127 0.000) 11.127 10.276 ( 0.000 -5.924 0.000) 5.924 10.276 ( 0.000 -4.287 0.000) 4.287 10.312 ( 0.000 -5.852 0.000) 5.852 10.415 ( 0.000 -1.152 0.000) 1.152 10.743 ( 0.000 1.376 0.000) 1.376 10.762 ( 0.000 -10.878 0.000) 10.878 10.834 ( 0.000 5.432 0.000) 5.432 10.961 ( 0.000 1.433 0.000) 1.433 11.003 ( 0.000 -2.421 0.000) 2.421 11.036 ( 0.000 -4.994 0.000) 4.994 11.248 ( 0.000 6.900 0.000) 6.900 11.447 ( 0.000 -2.477 0.000) 2.477 11.533 ( 0.000 0.340 0.000) 0.340 12.049 ( 0.000 -6.602 0.000) 6.602 12.108 ( 0.000 -4.155 0.000) 4.155 12.345 ( 0.000 -4.987 0.000) 4.987 12.412 ( 0.000 6.128 0.000) 6.128 12.788 ( 0.000 -7.600 0.000) 7.600 13.156 ( 0.000 -3.147 0.000) 3.147 13.167 ( 0.000 -1.505 0.000) 1.505 13.534 ( 0.000 -5.545 0.000) 5.545 13.697 ( 0.000 -9.098 0.000) 9.098 13.795 ( 0.000 7.503 0.000) 7.503 13.843 ( 0.000 -2.391 0.000) 2.391 14.073 ( 0.000 12.135 0.000) 12.135 14.283 ( 0.000 8.631 0.000) 8.631 14.512 ( 0.000 -0.007 0.000) 0.007 14.566 ( 0.000 1.238 0.000) 1.238 18.968 ( 0.000 1.421 0.000) 1.421 19.061 ( 0.000 1.064 0.000) 1.064 19.773 ( 0.000 -12.551 0.000) 12.551 19.896 ( 0.000 -9.742 0.000) 9.742 20.323 ( 0.000 12.908 0.000) 12.908 20.422 ( 0.000 15.804 0.000) 15.804 21.442 ( 0.000 4.123 0.000) 4.123 21.626 ( 0.000 -1.386 0.000) 1.386 21.699 ( 0.000 1.753 0.000) 1.753 21.794 ( 0.000 -0.558 0.000) 0.558 22.073 ( 0.000 0.683 0.000) 0.683 22.116 ( 0.000 -2.086 0.000) 2.086 22.207 ( 0.000 -3.024 0.000) 3.024 22.276 ( 0.000 0.584 0.000) 0.584 22.402 ( 0.000 -1.773 0.000) 1.773 22.646 ( 0.000 -2.279 0.000) 2.279 ======================= Grid point 6 (5/90) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 25.050 21.850 0.000) 33.241 1.116 ( 28.673 22.957 0.000) 36.731 1.861 ( 41.871 41.349 0.000) 58.847 2.167 ( -19.030 14.951 0.000) 24.201 2.566 ( -29.633 6.163 0.000) 30.267 3.460 ( -6.557 -4.415 0.000) 7.905 3.654 ( 3.842 -7.030 0.000) 8.011 3.737 ( -6.330 -0.824 0.000) 6.383 4.277 ( -11.525 23.916 0.000) 26.548 4.355 ( 16.018 -6.141 0.000) 17.155 4.561 ( -5.891 11.517 0.000) 12.936 5.023 ( 3.727 -17.854 0.000) 18.239 5.468 ( -1.048 5.632 0.000) 5.729 5.585 ( -0.787 4.217 0.000) 4.290 5.650 ( 1.244 -11.251 0.000) 11.320 5.770 ( -11.457 -0.585 0.000) 11.472 5.868 ( 6.612 -7.933 0.000) 10.328 5.997 ( 2.636 -12.354 0.000) 12.632 6.212 ( 4.931 9.241 0.000) 10.474 6.494 ( -3.077 6.325 0.000) 7.034 6.510 ( 2.739 0.973 0.000) 2.907 6.735 ( -2.028 -3.257 0.000) 3.836 6.812 ( -5.321 -3.946 0.000) 6.624 6.845 ( -12.295 -2.769 0.000) 12.603 6.992 ( -0.540 7.208 0.000) 7.229 7.239 ( -4.741 8.904 0.000) 10.087 7.320 ( 6.868 6.431 0.000) 9.409 7.426 ( 1.715 -0.245 0.000) 1.732 7.499 ( 2.450 -1.698 0.000) 2.980 7.533 ( -0.494 6.228 0.000) 6.248 8.164 ( 3.522 -3.420 0.000) 4.910 8.288 ( 3.925 -12.947 0.000) 13.529 8.478 ( 2.441 2.732 0.000) 3.663 8.491 ( -0.122 8.502 0.000) 8.503 8.704 ( 4.289 7.350 0.000) 8.510 8.931 ( 3.518 12.189 0.000) 12.686 8.935 ( 13.058 -12.167 0.000) 17.848 9.044 ( -4.482 3.265 0.000) 5.545 9.557 ( 5.996 -5.887 0.000) 8.403 9.764 ( -0.924 -12.117 0.000) 12.152 10.282 ( 0.850 -6.664 0.000) 6.717 10.360 ( 5.361 -5.959 0.000) 8.016 10.365 ( 3.999 -7.745 0.000) 8.717 10.431 ( 1.248 -1.364 0.000) 1.849 10.642 ( -8.465 2.072 0.000) 8.715 10.717 ( -4.081 -11.224 0.000) 11.943 10.822 ( -0.232 4.349 0.000) 4.355 10.926 ( -4.498 -2.107 0.000) 4.967 10.992 ( 2.001 1.002 0.000) 2.238 11.060 ( 0.097 -2.741 0.000) 2.743 11.211 ( -2.120 9.110 0.000) 9.353 11.291 ( -9.992 15.149 0.000) 18.147 11.530 ( 6.476 -3.305 0.000) 7.270 11.907 ( -9.685 -4.208 0.000) 10.560 12.178 ( 6.900 -10.926 0.000) 12.922 12.335 ( -1.056 -6.115 0.000) 6.206 12.677 ( 13.735 3.160 0.000) 14.094 12.829 ( 3.563 -6.129 0.000) 7.089 13.090 ( -6.062 -0.408 0.000) 6.075 13.159 ( -1.410 -3.972 0.000) 4.215 13.406 ( -7.475 2.592 0.000) 7.912 13.534 ( -8.654 -2.698 0.000) 9.065 13.832 ( 3.084 -0.036 0.000) 3.084 13.946 ( 3.105 -6.308 0.000) 7.031 14.185 ( 7.420 10.872 0.000) 13.163 14.187 ( -0.862 7.694 0.000) 7.742 14.470 ( -3.407 0.862 0.000) 3.515 14.541 ( -3.341 6.827 0.000) 7.600 18.982 ( 1.201 1.442 0.000) 1.877 19.048 ( -1.099 1.196 0.000) 1.625 19.840 ( 3.190 -13.790 0.000) 14.155 19.894 ( -0.199 -10.048 0.000) 10.050 20.326 ( 0.309 13.217 0.000) 13.220 20.376 ( -2.455 16.525 0.000) 16.706 21.451 ( 0.810 4.521 0.000) 4.593 21.572 ( -6.266 8.168 0.000) 10.295 21.648 ( 1.699 -1.086 0.000) 2.017 21.763 ( -2.476 -0.749 0.000) 2.587 22.083 ( 0.737 0.913 0.000) 1.173 22.126 ( 0.425 -1.800 0.000) 1.850 22.155 ( -3.493 4.180 0.000) 5.447 22.193 ( -1.151 -2.631 0.000) 2.872 22.436 ( 2.801 -1.795 0.000) 3.327 22.589 ( -3.116 -0.636 0.000) 3.180 ======================= Grid point 7 (6/90) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -19.741 12.447 0.000) 23.338 1.584 ( 19.741 12.447 0.000) 23.338 1.877 ( -25.729 15.176 0.000) 29.871 1.877 ( 25.729 15.176 0.000) 29.871 2.838 ( -41.330 18.443 0.000) 45.258 2.838 ( 41.330 18.443 0.000) 45.258 3.714 ( -1.488 -9.152 0.000) 9.272 3.714 ( 1.488 -9.152 0.000) 9.272 4.242 ( -8.392 17.719 0.000) 19.606 4.242 ( 8.392 17.719 0.000) 19.606 4.908 ( -17.664 -14.740 0.000) 23.006 4.908 ( 17.664 -14.740 0.000) 23.006 5.435 ( -1.263 4.582 0.000) 4.753 5.435 ( 1.263 4.582 0.000) 4.753 5.701 ( -1.572 -5.953 0.000) 6.157 5.701 ( 1.572 -5.953 0.000) 6.157 6.002 ( -3.514 -8.285 0.000) 9.000 6.002 ( 3.514 -8.285 0.000) 9.000 6.370 ( -8.411 5.005 0.000) 9.787 6.370 ( 8.411 5.005 0.000) 9.787 6.641 ( -6.068 5.417 0.000) 8.134 6.641 ( 6.068 5.417 0.000) 8.134 6.713 ( -2.385 -7.473 0.000) 7.844 6.713 ( 2.385 -7.473 0.000) 7.844 7.056 ( -7.272 10.377 0.000) 12.671 7.056 ( 7.272 10.377 0.000) 12.671 7.428 ( -2.591 2.489 0.000) 3.593 7.428 ( 2.591 2.489 0.000) 3.593 7.532 ( -0.226 0.786 0.000) 0.818 7.532 ( 0.226 0.786 0.000) 0.818 8.260 ( -4.338 -2.723 0.000) 5.122 8.260 ( 4.338 -2.723 0.000) 5.122 8.501 ( -0.162 4.667 0.000) 4.670 8.501 ( 0.162 4.667 0.000) 4.670 8.888 ( -9.320 2.113 0.000) 9.556 8.888 ( 9.320 2.113 0.000) 9.556 9.013 ( -2.738 1.477 0.000) 3.111 9.013 ( 2.738 1.477 0.000) 3.111 9.700 ( -5.358 -10.102 0.000) 11.436 9.700 ( 5.358 -10.102 0.000) 11.436 10.336 ( -3.934 -5.767 0.000) 6.981 10.336 ( 3.934 -5.767 0.000) 6.981 10.463 ( -1.359 -2.267 0.000) 2.644 10.463 ( 1.359 -2.267 0.000) 2.644 10.581 ( -6.911 -8.385 0.000) 10.866 10.581 ( 6.911 -8.385 0.000) 10.866 10.842 ( -2.370 1.471 0.000) 2.789 10.842 ( 2.370 1.471 0.000) 2.789 11.037 ( -1.843 -0.565 0.000) 1.928 11.037 ( 1.843 -0.565 0.000) 1.928 11.191 ( -0.791 13.107 0.000) 13.131 11.191 ( 0.791 13.107 0.000) 13.131 11.704 ( -8.663 -4.536 0.000) 9.778 11.704 ( 8.663 -4.536 0.000) 9.778 12.290 ( -3.189 -9.093 0.000) 9.636 12.290 ( 3.189 -9.093 0.000) 9.636 12.942 ( -6.342 -2.704 0.000) 6.894 12.942 ( 6.342 -2.704 0.000) 6.894 12.979 ( -12.908 1.639 0.000) 13.012 12.979 ( 12.908 1.639 0.000) 13.012 13.383 ( -4.451 0.543 0.000) 4.484 13.383 ( 4.451 0.543 0.000) 4.484 13.915 ( -3.798 -4.421 0.000) 5.828 13.915 ( 3.798 -4.421 0.000) 5.828 14.265 ( -3.212 4.065 0.000) 5.181 14.265 ( 3.212 4.065 0.000) 5.181 14.442 ( -3.680 7.668 0.000) 8.505 14.442 ( 3.680 7.668 0.000) 8.505 19.016 ( -1.629 1.399 0.000) 2.147 19.016 ( 1.629 1.399 0.000) 2.147 19.883 ( -0.936 -11.321 0.000) 11.360 19.883 ( 0.936 -11.321 0.000) 11.360 20.339 ( -0.964 14.436 0.000) 14.468 20.339 ( 0.964 14.436 0.000) 14.468 21.483 ( -2.285 6.083 0.000) 6.499 21.483 ( 2.285 6.083 0.000) 6.499 21.701 ( -2.811 -1.027 0.000) 2.993 21.701 ( 2.811 -1.027 0.000) 2.993 22.102 ( -1.049 1.567 0.000) 1.886 22.102 ( 1.049 1.567 0.000) 1.886 22.162 ( -1.479 -1.943 0.000) 2.442 22.162 ( 1.479 -1.943 0.000) 2.442 22.512 ( -3.689 -1.397 0.000) 3.945 22.512 ( 3.689 -1.397 0.000) 3.945 ======================= Grid point 10 (7/90) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 0.000 33.965 0.000) 33.965 1.473 ( 0.000 39.004 0.000) 39.004 2.452 ( 0.000 53.658 0.000) 53.658 2.774 ( 0.000 19.446 0.000) 19.446 3.023 ( 0.000 3.699 0.000) 3.699 3.325 ( 0.000 -4.531 0.000) 4.531 3.459 ( 0.000 -10.281 0.000) 10.281 3.816 ( 0.000 -3.683 0.000) 3.683 4.024 ( 0.000 0.025 0.000) 0.025 4.559 ( 0.000 -19.768 0.000) 19.768 4.908 ( 0.000 10.997 0.000) 10.997 4.985 ( 0.000 24.955 0.000) 24.955 5.306 ( 0.000 -17.838 0.000) 17.838 5.491 ( 0.000 -9.766 0.000) 9.766 5.644 ( 0.000 4.132 0.000) 4.132 5.645 ( 0.000 -17.949 0.000) 17.949 5.767 ( 0.000 10.267 0.000) 10.267 5.981 ( 0.000 3.124 0.000) 3.124 6.387 ( 0.000 5.903 0.000) 5.903 6.500 ( 0.000 0.590 0.000) 0.590 6.679 ( 0.000 -10.702 0.000) 10.702 6.680 ( 0.000 1.581 0.000) 1.581 6.687 ( 0.000 5.257 0.000) 5.257 6.861 ( 0.000 -15.838 0.000) 15.838 7.121 ( 0.000 6.181 0.000) 6.181 7.354 ( 0.000 12.740 0.000) 12.740 7.422 ( 0.000 -0.731 0.000) 0.731 7.461 ( 0.000 14.319 0.000) 14.319 7.550 ( 0.000 6.400 0.000) 6.400 7.684 ( 0.000 3.367 0.000) 3.367 7.922 ( 0.000 -12.847 0.000) 12.847 8.135 ( 0.000 7.564 0.000) 7.564 8.330 ( 0.000 2.984 0.000) 2.984 8.722 ( 0.000 8.513 0.000) 8.513 8.863 ( 0.000 10.775 0.000) 10.775 8.919 ( 0.000 14.815 0.000) 14.815 9.145 ( 0.000 9.365 0.000) 9.365 9.209 ( 0.000 5.998 0.000) 5.998 9.322 ( 0.000 -11.773 0.000) 11.773 9.464 ( 0.000 -18.937 0.000) 18.937 10.100 ( 0.000 -9.754 0.000) 9.754 10.151 ( 0.000 -10.175 0.000) 10.175 10.177 ( 0.000 -6.856 0.000) 6.856 10.387 ( 0.000 -3.361 0.000) 3.361 10.480 ( 0.000 -13.317 0.000) 13.317 10.803 ( 0.000 4.262 0.000) 4.262 10.921 ( 0.000 -6.207 0.000) 6.207 10.975 ( 0.000 9.039 0.000) 9.039 10.979 ( 0.000 1.210 0.000) 1.210 10.990 ( 0.000 1.200 0.000) 1.200 11.371 ( 0.000 -5.108 0.000) 5.108 11.438 ( 0.000 11.024 0.000) 11.024 11.539 ( 0.000 0.123 0.000) 0.123 11.906 ( 0.000 -7.582 0.000) 7.582 11.986 ( 0.000 -8.115 0.000) 8.115 12.283 ( 0.000 -0.279 0.000) 0.279 12.543 ( 0.000 6.918 0.000) 6.918 12.564 ( 0.000 -14.436 0.000) 14.436 13.028 ( 0.000 -9.762 0.000) 9.762 13.108 ( 0.000 -4.971 0.000) 4.971 13.532 ( 0.000 4.709 0.000) 4.709 13.547 ( 0.000 -4.859 0.000) 4.859 13.777 ( 0.000 -4.224 0.000) 4.224 13.915 ( 0.000 3.376 0.000) 3.376 14.291 ( 0.000 9.602 0.000) 9.602 14.445 ( 0.000 7.317 0.000) 7.317 14.520 ( 0.000 0.824 0.000) 0.824 14.596 ( 0.000 1.614 0.000) 1.614 19.011 ( 0.000 2.963 0.000) 2.963 19.097 ( 0.000 2.734 0.000) 2.734 19.540 ( 0.000 -10.928 0.000) 10.928 19.671 ( 0.000 -12.014 0.000) 12.014 20.661 ( 0.000 20.382 0.000) 20.382 20.743 ( 0.000 16.365 0.000) 16.365 21.533 ( 0.000 4.701 0.000) 4.701 21.580 ( 0.000 -3.480 0.000) 3.480 21.748 ( 0.000 3.081 0.000) 3.081 21.777 ( 0.000 -1.210 0.000) 1.210 22.037 ( 0.000 -6.504 0.000) 6.504 22.058 ( 0.000 -3.679 0.000) 3.679 22.159 ( 0.000 -0.044 0.000) 0.044 22.296 ( 0.000 1.494 0.000) 1.494 22.355 ( 0.000 -2.866 0.000) 2.866 22.583 ( 0.000 -4.018 0.000) 4.018 ======================= Grid point 11 (8/90) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 14.806 28.717 0.000) 32.309 1.678 ( 16.650 32.633 0.000) 36.635 2.508 ( -19.359 17.824 0.000) 26.315 2.633 ( -1.945 22.882 0.000) 22.965 2.865 ( 4.326 33.939 0.000) 34.214 3.422 ( 4.604 -2.280 0.000) 5.138 3.466 ( 0.826 -12.050 0.000) 12.079 3.712 ( -9.733 1.095 0.000) 9.794 4.206 ( 13.266 -8.117 0.000) 15.552 4.559 ( 1.084 -20.880 0.000) 20.908 4.789 ( -8.045 9.265 0.000) 12.271 4.847 ( -12.096 23.669 0.000) 26.580 5.399 ( 7.695 -10.829 0.000) 13.284 5.477 ( -3.113 -6.760 0.000) 7.442 5.511 ( -7.176 -14.210 0.000) 15.919 5.702 ( -1.901 -1.236 0.000) 2.267 5.834 ( 6.261 6.010 0.000) 8.679 5.948 ( 1.896 6.379 0.000) 6.655 6.403 ( 0.961 4.786 0.000) 4.882 6.520 ( 2.746 1.348 0.000) 3.059 6.588 ( -5.047 -1.275 0.000) 5.205 6.641 ( -4.308 -8.249 0.000) 9.306 6.711 ( 0.400 4.255 0.000) 4.274 6.810 ( -3.024 -2.851 0.000) 4.156 7.140 ( 2.495 7.551 0.000) 7.952 7.381 ( 1.734 7.573 0.000) 7.769 7.445 ( 1.409 1.263 0.000) 1.892 7.516 ( -6.189 8.413 0.000) 10.444 7.518 ( 3.733 8.852 0.000) 9.607 7.643 ( -2.097 3.536 0.000) 4.111 8.037 ( 8.885 -11.509 0.000) 14.540 8.183 ( 3.323 4.800 0.000) 5.838 8.425 ( 6.187 -3.810 0.000) 7.266 8.670 ( -4.316 6.754 0.000) 8.016 8.898 ( 3.336 11.388 0.000) 11.867 8.976 ( 4.471 10.804 0.000) 11.692 9.129 ( -1.242 7.358 0.000) 7.462 9.164 ( -4.369 8.226 0.000) 9.314 9.361 ( 2.792 -13.911 0.000) 14.188 9.448 ( -1.086 -20.015 0.000) 20.044 10.124 ( 2.192 -8.822 0.000) 9.090 10.173 ( 1.457 -10.949 0.000) 11.045 10.223 ( 3.603 -8.683 0.000) 9.400 10.383 ( -1.094 -8.304 0.000) 8.375 10.468 ( -0.106 -6.410 0.000) 6.411 10.710 ( -8.073 5.091 0.000) 9.544 10.902 ( -0.855 -1.096 0.000) 1.390 10.927 ( -1.723 5.383 0.000) 5.652 11.012 ( 1.784 -0.800 0.000) 1.955 11.021 ( 0.903 2.422 0.000) 2.585 11.389 ( 1.757 1.791 0.000) 2.509 11.467 ( 2.725 3.412 0.000) 4.367 11.499 ( -2.681 7.196 0.000) 7.679 11.772 ( -9.814 -8.501 0.000) 12.984 12.028 ( 4.793 -6.247 0.000) 7.874 12.240 ( -3.390 -3.255 0.000) 4.700 12.645 ( 6.560 -11.212 0.000) 12.990 12.713 ( 11.204 1.151 0.000) 11.263 13.022 ( -7.148 -5.869 0.000) 9.249 13.023 ( -1.003 -9.473 0.000) 9.526 13.481 ( -3.926 -0.942 0.000) 4.037 13.486 ( -3.603 6.087 0.000) 7.073 13.840 ( 3.353 -5.175 0.000) 6.167 13.884 ( -1.377 2.470 0.000) 2.828 14.354 ( 3.305 6.613 0.000) 7.393 14.358 ( -3.525 8.653 0.000) 9.343 14.505 ( -0.232 2.519 0.000) 2.530 14.622 ( -0.394 2.069 0.000) 2.106 19.026 ( 1.245 3.022 0.000) 3.268 19.087 ( -0.894 2.863 0.000) 2.999 19.581 ( 2.874 -11.990 0.000) 12.330 19.664 ( -0.649 -12.129 0.000) 12.146 20.668 ( 0.670 20.324 0.000) 20.335 20.725 ( -1.433 17.883 0.000) 17.940 21.548 ( 1.438 4.983 0.000) 5.187 21.601 ( 1.717 -3.217 0.000) 3.646 21.697 ( -3.807 4.834 0.000) 6.153 21.738 ( -2.971 -1.915 0.000) 3.535 22.056 ( 1.206 -5.492 0.000) 5.623 22.065 ( 0.502 -4.010 0.000) 4.042 22.157 ( -0.078 0.598 0.000) 0.603 22.227 ( -4.144 3.095 0.000) 5.172 22.385 ( 2.620 -3.276 0.000) 4.194 22.546 ( -3.035 -3.592 0.000) 4.702 ======================= Grid point 12 (9/90) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( -14.402 20.718 0.000) 25.231 1.919 ( 14.402 20.718 0.000) 25.231 2.243 ( -14.903 21.440 0.000) 26.111 2.243 ( 14.903 21.440 0.000) 26.111 3.315 ( -20.190 27.529 0.000) 34.139 3.315 ( 20.190 27.529 0.000) 34.139 3.500 ( -2.571 -12.818 0.000) 13.073 3.500 ( 2.571 -12.818 0.000) 13.073 4.505 ( -11.949 -17.215 0.000) 20.955 4.505 ( 11.949 -17.215 0.000) 20.955 4.652 ( -2.480 13.593 0.000) 13.817 4.652 ( 2.480 13.593 0.000) 13.817 5.412 ( -0.117 -7.782 0.000) 7.783 5.412 ( 0.117 -7.782 0.000) 7.783 5.591 ( -7.888 -3.706 0.000) 8.715 5.591 ( 7.888 -3.706 0.000) 8.715 5.960 ( -2.969 5.431 0.000) 6.189 5.960 ( 2.969 5.431 0.000) 6.189 6.464 ( -4.999 -0.321 0.000) 5.009 6.464 ( 4.999 -0.321 0.000) 5.009 6.579 ( -1.538 -4.132 0.000) 4.409 6.579 ( 1.538 -4.132 0.000) 4.409 6.741 ( -2.990 6.087 0.000) 6.782 6.741 ( 2.990 6.087 0.000) 6.782 7.270 ( -9.171 10.478 0.000) 13.924 7.270 ( 9.171 10.478 0.000) 13.924 7.455 ( -0.625 1.863 0.000) 1.965 7.455 ( 0.625 1.863 0.000) 1.965 7.592 ( -2.765 5.023 0.000) 5.733 7.592 ( 2.765 5.023 0.000) 5.733 8.201 ( -3.452 -3.717 0.000) 5.073 8.201 ( 3.452 -3.717 0.000) 5.073 8.553 ( -5.586 0.146 0.000) 5.588 8.553 ( 5.586 0.146 0.000) 5.588 9.012 ( -5.691 10.257 0.000) 11.730 9.012 ( 5.691 10.257 0.000) 11.730 9.087 ( -2.170 6.073 0.000) 6.449 9.087 ( 2.170 6.073 0.000) 6.449 9.417 ( -1.899 -18.174 0.000) 18.273 9.417 ( 1.899 -18.174 0.000) 18.273 10.178 ( -1.610 -10.055 0.000) 10.183 10.178 ( 1.610 -10.055 0.000) 10.183 10.316 ( -4.266 -12.164 0.000) 12.890 10.316 ( 4.266 -12.164 0.000) 12.890 10.528 ( -6.077 4.004 0.000) 7.278 10.528 ( 6.077 4.004 0.000) 7.278 10.899 ( -0.683 3.268 0.000) 3.339 10.899 ( 0.683 3.268 0.000) 3.339 11.033 ( -0.027 0.592 0.000) 0.593 11.033 ( 0.027 0.592 0.000) 0.593 11.441 ( -2.521 11.472 0.000) 11.746 11.441 ( 2.521 11.472 0.000) 11.746 11.575 ( -7.121 -7.867 0.000) 10.611 11.575 ( 7.121 -7.867 0.000) 10.611 12.145 ( -4.993 -6.020 0.000) 7.821 12.145 ( 4.993 -6.020 0.000) 7.821 12.827 ( -9.085 -7.881 0.000) 12.027 12.827 ( 9.085 -7.881 0.000) 12.027 12.937 ( -7.353 -5.251 0.000) 9.036 12.937 ( 7.353 -5.251 0.000) 9.036 13.430 ( -0.131 4.591 0.000) 4.593 13.430 ( 0.131 4.591 0.000) 4.593 13.874 ( -0.076 -1.713 0.000) 1.715 13.874 ( 0.076 -1.713 0.000) 1.715 14.352 ( -2.022 5.523 0.000) 5.881 14.352 ( 2.022 5.523 0.000) 5.881 14.563 ( -4.098 4.006 0.000) 5.731 14.563 ( 4.098 4.006 0.000) 5.731 19.059 ( -1.525 3.037 0.000) 3.398 19.059 ( 1.525 3.037 0.000) 3.398 19.637 ( -1.878 -12.393 0.000) 12.534 19.637 ( 1.878 -12.393 0.000) 12.534 20.691 ( -1.376 19.745 0.000) 19.793 20.691 ( 1.376 19.745 0.000) 19.793 21.599 ( -2.917 4.912 0.000) 5.713 21.599 ( 2.917 4.912 0.000) 5.713 21.669 ( -2.691 -1.945 0.000) 3.320 21.669 ( 2.691 -1.945 0.000) 3.320 22.072 ( -0.106 -4.715 0.000) 4.716 22.072 ( 0.106 -4.715 0.000) 4.716 22.166 ( -1.263 2.366 0.000) 2.682 22.166 ( 1.263 2.366 0.000) 2.682 22.463 ( -4.024 -3.598 0.000) 5.398 22.463 ( 4.024 -3.598 0.000) 5.398 ======================= Grid point 15 (10/90) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 0.000 32.297 0.000) 32.297 2.239 ( 0.000 38.676 0.000) 38.676 3.073 ( 0.000 -13.442 0.000) 13.442 3.082 ( 0.000 10.622 0.000) 10.622 3.146 ( 0.000 8.628 0.000) 8.628 3.257 ( 0.000 -2.529 0.000) 2.529 3.299 ( 0.000 11.738 0.000) 11.738 3.579 ( 0.000 -23.494 0.000) 23.494 4.199 ( 0.000 21.423 0.000) 21.423 4.380 ( 0.000 5.758 0.000) 5.758 5.029 ( 0.000 -1.703 0.000) 1.703 5.063 ( 0.000 -5.316 0.000) 5.316 5.107 ( 0.000 -17.934 0.000) 17.934 5.281 ( 0.000 -11.030 0.000) 11.030 5.529 ( 0.000 9.948 0.000) 9.948 5.693 ( 0.000 0.766 0.000) 0.766 5.956 ( 0.000 8.387 0.000) 8.387 6.082 ( 0.000 6.692 0.000) 6.692 6.335 ( 0.000 -6.037 0.000) 6.037 6.390 ( 0.000 -17.494 0.000) 17.494 6.591 ( 0.000 9.044 0.000) 9.044 6.620 ( 0.000 -6.844 0.000) 6.844 6.642 ( 0.000 -4.278 0.000) 4.278 6.880 ( 0.000 4.973 0.000) 4.973 7.242 ( 0.000 6.344 0.000) 6.344 7.461 ( 0.000 2.206 0.000) 2.206 7.630 ( 0.000 2.109 0.000) 2.109 7.664 ( 0.000 3.098 0.000) 3.098 7.754 ( 0.000 15.013 0.000) 15.013 7.759 ( 0.000 20.912 0.000) 20.912 7.759 ( 0.000 1.001 0.000) 1.001 8.338 ( 0.000 10.266 0.000) 10.266 8.395 ( 0.000 1.891 0.000) 1.891 8.729 ( 0.000 -8.870 0.000) 8.870 8.870 ( 0.000 -16.934 0.000) 16.934 8.960 ( 0.000 -26.131 0.000) 26.131 9.215 ( 0.000 7.720 0.000) 7.720 9.216 ( 0.000 15.118 0.000) 15.118 9.274 ( 0.000 5.621 0.000) 5.621 9.414 ( 0.000 8.655 0.000) 8.655 9.933 ( 0.000 -11.079 0.000) 11.079 9.937 ( 0.000 -5.867 0.000) 5.867 10.011 ( 0.000 -9.775 0.000) 9.775 10.134 ( 0.000 -14.054 0.000) 14.054 10.499 ( 0.000 7.451 0.000) 7.451 10.800 ( 0.000 -6.276 0.000) 6.276 10.892 ( 0.000 4.422 0.000) 4.422 10.999 ( 0.000 -0.503 0.000) 0.503 11.038 ( 0.000 4.267 0.000) 4.267 11.188 ( 0.000 12.318 0.000) 12.318 11.256 ( 0.000 -6.275 0.000) 6.275 11.532 ( 0.000 -1.251 0.000) 1.251 11.664 ( 0.000 12.290 0.000) 12.290 11.767 ( 0.000 -6.083 0.000) 6.083 11.803 ( 0.000 -9.699 0.000) 9.699 12.253 ( 0.000 -16.607 0.000) 16.607 12.352 ( 0.000 7.250 0.000) 7.250 12.680 ( 0.000 7.050 0.000) 7.050 12.799 ( 0.000 -12.830 0.000) 12.830 12.976 ( 0.000 -7.814 0.000) 7.814 13.520 ( 0.000 1.621 0.000) 1.621 13.666 ( 0.000 7.860 0.000) 7.860 13.684 ( 0.000 -5.103 0.000) 5.103 13.915 ( 0.000 -3.040 0.000) 3.040 14.443 ( 0.000 5.812 0.000) 5.812 14.536 ( 0.000 0.398 0.000) 0.398 14.561 ( 0.000 4.336 0.000) 4.336 14.621 ( 0.000 0.715 0.000) 0.715 19.086 ( 0.000 4.694 0.000) 4.694 19.170 ( 0.000 4.749 0.000) 4.749 19.347 ( 0.000 -8.741 0.000) 8.741 19.452 ( 0.000 -9.913 0.000) 9.913 21.050 ( 0.000 14.600 0.000) 14.600 21.083 ( 0.000 21.782 0.000) 21.782 21.481 ( 0.000 -6.873 0.000) 6.873 21.616 ( 0.000 3.461 0.000) 3.461 21.746 ( 0.000 -2.004 0.000) 2.004 21.816 ( 0.000 3.798 0.000) 3.798 21.830 ( 0.000 -13.547 0.000) 13.547 21.978 ( 0.000 -4.312 0.000) 4.312 22.188 ( 0.000 2.211 0.000) 2.211 22.295 ( 0.000 -3.100 0.000) 3.100 22.338 ( 0.000 2.821 0.000) 2.821 22.496 ( 0.000 -4.704 0.000) 4.704 ======================= Grid point 16 (11/90) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 8.340 29.247 0.000) 30.413 2.347 ( 8.371 34.273 0.000) 35.280 2.828 ( -15.689 14.632 0.000) 21.453 2.963 ( -11.101 15.023 0.000) 18.679 3.110 ( 3.258 -16.890 0.000) 17.202 3.296 ( -0.818 -9.682 0.000) 9.716 3.506 ( 11.993 8.511 0.000) 14.706 3.675 ( 5.619 -15.097 0.000) 16.109 4.179 ( -1.203 14.628 0.000) 14.677 4.267 ( -6.815 2.847 0.000) 7.386 4.877 ( -5.707 -0.327 0.000) 5.716 4.985 ( -9.238 -16.772 0.000) 19.148 5.228 ( 4.680 -8.774 0.000) 9.944 5.332 ( 6.911 -5.893 0.000) 9.082 5.457 ( -6.387 13.451 0.000) 14.890 5.698 ( -2.114 -0.385 0.000) 2.148 6.000 ( 4.843 9.676 0.000) 10.821 6.099 ( 3.320 8.023 0.000) 8.682 6.391 ( 2.108 -5.417 0.000) 5.813 6.409 ( 0.603 -10.644 0.000) 10.661 6.551 ( -2.602 6.374 0.000) 6.885 6.568 ( -2.563 -2.487 0.000) 3.571 6.707 ( 3.903 -7.469 0.000) 8.427 6.851 ( -2.160 2.242 0.000) 3.113 7.285 ( 4.534 7.534 0.000) 8.794 7.508 ( 3.348 3.677 0.000) 4.973 7.596 ( -2.584 7.048 0.000) 7.506 7.644 ( -3.110 2.011 0.000) 3.703 7.712 ( -0.562 10.085 0.000) 10.101 7.757 ( -0.847 17.117 0.000) 17.138 7.913 ( 9.701 2.110 0.000) 9.928 8.273 ( -4.315 2.129 0.000) 4.812 8.406 ( 1.222 2.115 0.000) 2.442 8.655 ( -6.127 -8.308 0.000) 10.323 8.902 ( 2.710 -18.327 0.000) 18.526 8.983 ( 1.083 -25.220 0.000) 25.243 9.231 ( 1.120 9.242 0.000) 9.310 9.231 ( 1.078 13.543 0.000) 13.586 9.271 ( 0.005 6.892 0.000) 6.892 9.364 ( -3.762 10.484 0.000) 11.138 9.946 ( 1.042 -11.166 0.000) 11.215 9.953 ( 1.075 -7.543 0.000) 7.619 10.030 ( 1.505 -10.669 0.000) 10.775 10.114 ( -1.624 -13.555 0.000) 13.652 10.542 ( 3.833 8.347 0.000) 9.185 10.829 ( -5.810 6.336 0.000) 8.596 10.841 ( 3.274 -4.901 0.000) 5.894 10.977 ( -1.875 -0.342 0.000) 1.906 11.054 ( 1.362 4.331 0.000) 4.540 11.135 ( -2.825 9.023 0.000) 9.455 11.286 ( 2.865 -6.795 0.000) 7.375 11.536 ( -3.101 -7.122 0.000) 7.768 11.663 ( -0.088 11.653 0.000) 11.653 11.666 ( -2.871 2.149 0.000) 3.586 11.896 ( 5.121 -7.220 0.000) 8.851 12.149 ( -5.739 -8.750 0.000) 10.464 12.492 ( 8.666 -1.074 0.000) 8.732 12.738 ( 3.971 1.670 0.000) 4.308 12.811 ( 0.723 -11.563 0.000) 11.586 12.893 ( -6.836 -6.446 0.000) 9.396 13.514 ( 0.147 3.887 0.000) 3.890 13.630 ( -3.090 7.903 0.000) 8.485 13.732 ( 3.496 -5.877 0.000) 6.838 13.878 ( -2.757 -3.081 0.000) 4.134 14.464 ( 0.891 4.674 0.000) 4.758 14.506 ( -2.818 6.221 0.000) 6.829 14.545 ( 1.411 0.924 0.000) 1.686 14.636 ( -0.247 -0.549 0.000) 0.602 19.102 ( 1.355 4.810 0.000) 4.997 19.162 ( -0.744 4.828 0.000) 4.885 19.373 ( 2.019 -9.225 0.000) 9.444 19.445 ( -0.689 -9.894 0.000) 9.918 21.057 ( 0.557 15.629 0.000) 15.638 21.080 ( -0.265 20.752 0.000) 20.754 21.505 ( 2.096 -6.805 0.000) 7.121 21.628 ( -0.044 0.728 0.000) 0.729 21.685 ( -2.145 -2.007 0.000) 2.937 21.788 ( -2.433 4.570 0.000) 5.177 21.897 ( 3.571 -9.330 0.000) 9.990 21.976 ( -0.314 -4.892 0.000) 4.902 22.193 ( 0.567 2.456 0.000) 2.520 22.289 ( -3.508 3.422 0.000) 4.901 22.315 ( 1.862 -3.626 0.000) 4.076 22.460 ( -3.018 -4.861 0.000) 5.721 ======================= Grid point 17 (12/90) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( -12.824 22.653 0.000) 26.031 2.354 ( 12.824 22.653 0.000) 26.031 2.703 ( -9.882 24.315 0.000) 26.247 2.703 ( 9.882 24.315 0.000) 26.247 3.214 ( -5.422 -15.352 0.000) 16.282 3.214 ( 5.422 -15.352 0.000) 16.282 3.707 ( -4.122 -1.652 0.000) 4.441 3.707 ( 4.122 -1.652 0.000) 4.441 4.176 ( -1.480 1.264 0.000) 1.946 4.176 ( 1.480 1.264 0.000) 1.946 4.828 ( -2.423 -5.482 0.000) 5.994 4.828 ( 2.423 -5.482 0.000) 5.994 5.300 ( -5.447 3.244 0.000) 6.340 5.300 ( 5.447 3.244 0.000) 6.340 5.563 ( -9.884 -1.665 0.000) 10.023 5.563 ( 9.884 -1.665 0.000) 10.023 6.120 ( -3.376 9.446 0.000) 10.031 6.120 ( 3.376 9.446 0.000) 10.031 6.406 ( -0.269 -3.920 0.000) 3.929 6.406 ( 0.269 -3.920 0.000) 3.929 6.527 ( -0.748 0.067 0.000) 0.751 6.527 ( 0.748 0.067 0.000) 0.751 6.792 ( -3.292 -3.823 0.000) 5.045 6.792 ( 3.292 -3.823 0.000) 5.045 7.452 ( -9.362 8.160 0.000) 12.419 7.452 ( 9.362 8.160 0.000) 12.419 7.577 ( -2.590 6.448 0.000) 6.948 7.577 ( 2.590 6.448 0.000) 6.948 7.722 ( -1.442 11.650 0.000) 11.739 7.722 ( 1.442 11.650 0.000) 11.739 8.136 ( -8.767 -2.504 0.000) 9.118 8.136 ( 8.767 -2.504 0.000) 9.118 8.496 ( -6.790 -4.328 0.000) 8.052 8.496 ( 6.790 -4.328 0.000) 8.052 8.969 ( -2.457 -22.671 0.000) 22.804 8.969 ( 2.457 -22.671 0.000) 22.804 9.247 ( -0.005 11.209 0.000) 11.209 9.247 ( 0.005 11.209 0.000) 11.209 9.291 ( -2.120 10.726 0.000) 10.934 9.291 ( 2.120 10.726 0.000) 10.934 9.965 ( -0.252 -10.320 0.000) 10.323 9.965 ( 0.252 -10.320 0.000) 10.323 10.071 ( -2.042 -12.250 0.000) 12.419 10.071 ( 2.042 -12.250 0.000) 12.419 10.668 ( -7.272 9.031 0.000) 11.595 10.668 ( 7.272 9.031 0.000) 11.595 10.919 ( -3.249 -1.818 0.000) 3.723 10.919 ( 3.249 -1.818 0.000) 3.723 11.090 ( -1.636 5.320 0.000) 5.565 11.090 ( 1.636 5.320 0.000) 5.565 11.394 ( -6.730 -9.037 0.000) 11.267 11.394 ( 6.730 -9.037 0.000) 11.267 11.659 ( -0.360 9.898 0.000) 9.905 11.659 ( 0.360 9.898 0.000) 9.905 12.021 ( -5.777 -7.416 0.000) 9.401 12.021 ( 5.777 -7.416 0.000) 9.401 12.699 ( -9.326 -3.789 0.000) 10.067 12.699 ( 9.326 -3.789 0.000) 10.067 12.810 ( -1.308 -6.877 0.000) 7.000 12.810 ( 1.308 -6.877 0.000) 7.000 13.551 ( -3.162 7.131 0.000) 7.801 13.551 ( 3.162 7.131 0.000) 7.801 13.810 ( -3.278 -4.861 0.000) 5.863 13.810 ( 3.278 -4.861 0.000) 5.863 14.470 ( -0.433 5.831 0.000) 5.847 14.470 ( 0.433 5.831 0.000) 5.847 14.599 ( -2.676 -0.138 0.000) 2.680 14.599 ( 2.676 -0.138 0.000) 2.680 19.137 ( -1.485 4.913 0.000) 5.132 19.137 ( 1.485 4.913 0.000) 5.132 19.419 ( -1.728 -9.756 0.000) 9.908 19.419 ( 1.728 -9.756 0.000) 9.908 21.071 ( -0.576 18.184 0.000) 18.193 21.071 ( 0.576 18.184 0.000) 18.193 21.569 ( -3.430 -6.397 0.000) 7.259 21.569 ( 3.430 -6.397 0.000) 7.259 21.719 ( -3.283 5.177 0.000) 6.130 21.719 ( 3.283 5.177 0.000) 6.130 21.956 ( -1.664 -6.650 0.000) 6.855 21.956 ( 1.664 -6.650 0.000) 6.855 22.221 ( -2.144 3.165 0.000) 3.823 22.221 ( 2.144 3.165 0.000) 3.823 22.379 ( -3.680 -4.634 0.000) 5.917 22.379 ( 3.680 -4.634 0.000) 5.917 ======================= Grid point 20 (13/90) ======================= 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( 0.000 -28.439 0.000) 28.439 2.602 ( 0.000 28.439 0.000) 28.439 2.971 ( 0.000 -34.899 0.000) 34.899 2.971 ( 0.000 34.899 0.000) 34.899 3.210 ( 0.000 -2.781 0.000) 2.781 3.210 ( 0.000 2.781 0.000) 2.781 3.324 ( 0.000 -7.544 0.000) 7.544 3.324 ( 0.000 7.544 0.000) 7.544 4.685 ( 0.000 -21.344 0.000) 21.344 4.685 ( 0.000 21.344 0.000) 21.344 4.748 ( 0.000 -26.236 0.000) 26.236 4.748 ( 0.000 26.236 0.000) 26.236 5.092 ( 0.000 -6.978 0.000) 6.978 5.092 ( 0.000 6.978 0.000) 6.978 5.669 ( 0.000 -3.570 0.000) 3.570 5.669 ( 0.000 3.570 0.000) 3.570 6.118 ( 0.000 -9.631 0.000) 9.631 6.118 ( 0.000 9.631 0.000) 9.631 6.214 ( 0.000 -6.357 0.000) 6.357 6.214 ( 0.000 6.357 0.000) 6.357 6.572 ( 0.000 -1.452 0.000) 1.452 6.572 ( 0.000 1.452 0.000) 1.452 6.805 ( 0.000 -10.094 0.000) 10.094 6.805 ( 0.000 10.094 0.000) 10.094 7.377 ( 0.000 -7.270 0.000) 7.270 7.377 ( 0.000 7.270 0.000) 7.270 7.655 ( 0.000 -0.841 0.000) 0.841 7.655 ( 0.000 0.841 0.000) 0.841 7.937 ( 0.000 -3.290 0.000) 3.290 7.937 ( 0.000 3.290 0.000) 3.290 8.262 ( 0.000 -21.616 0.000) 21.616 8.262 ( 0.000 21.616 0.000) 21.616 8.520 ( 0.000 -11.870 0.000) 11.870 8.520 ( 0.000 11.870 0.000) 11.870 8.571 ( 0.000 -2.972 0.000) 2.972 8.571 ( 0.000 2.972 0.000) 2.972 9.342 ( 0.000 -1.146 0.000) 1.146 9.342 ( 0.000 1.146 0.000) 1.146 9.469 ( 0.000 -7.614 0.000) 7.614 9.469 ( 0.000 7.614 0.000) 7.614 9.836 ( 0.000 -4.965 0.000) 4.965 9.836 ( 0.000 4.965 0.000) 4.965 9.923 ( 0.000 -5.772 0.000) 5.772 9.923 ( 0.000 5.772 0.000) 5.772 10.662 ( 0.000 -7.969 0.000) 7.969 10.662 ( 0.000 7.969 0.000) 7.969 10.966 ( 0.000 -2.845 0.000) 2.845 10.966 ( 0.000 2.845 0.000) 2.845 11.137 ( 0.000 -5.687 0.000) 5.687 11.137 ( 0.000 5.687 0.000) 5.687 11.427 ( 0.000 -10.503 0.000) 10.503 11.427 ( 0.000 10.503 0.000) 10.503 11.693 ( 0.000 -0.245 0.000) 0.245 11.693 ( 0.000 0.245 0.000) 0.245 11.935 ( 0.000 -15.325 0.000) 15.325 11.935 ( 0.000 15.325 0.000) 15.325 12.549 ( 0.000 -12.063 0.000) 12.063 12.549 ( 0.000 12.063 0.000) 12.063 12.823 ( 0.000 -7.555 0.000) 7.555 12.823 ( 0.000 7.555 0.000) 7.555 13.586 ( 0.000 -4.556 0.000) 4.556 13.586 ( 0.000 4.556 0.000) 4.556 13.814 ( 0.000 -6.788 0.000) 6.788 13.814 ( 0.000 6.788 0.000) 6.788 14.521 ( 0.000 -2.229 0.000) 2.229 14.521 ( 0.000 2.229 0.000) 2.229 14.616 ( 0.000 -1.407 0.000) 1.407 14.616 ( 0.000 1.407 0.000) 1.407 19.197 ( 0.000 -6.628 0.000) 6.628 19.197 ( 0.000 6.628 0.000) 6.628 19.286 ( 0.000 -7.114 0.000) 7.114 19.286 ( 0.000 7.114 0.000) 7.114 21.305 ( 0.000 -11.096 0.000) 11.096 21.305 ( 0.000 11.096 0.000) 11.096 21.486 ( 0.000 -18.470 0.000) 18.470 21.486 ( 0.000 18.470 0.000) 18.470 21.700 ( 0.000 -2.352 0.000) 2.352 21.700 ( 0.000 2.352 0.000) 2.352 21.894 ( 0.000 -4.160 0.000) 4.160 21.894 ( 0.000 4.160 0.000) 4.160 22.237 ( 0.000 -2.772 0.000) 2.772 22.237 ( 0.000 2.772 0.000) 2.772 22.407 ( 0.000 -4.153 0.000) 4.153 22.407 ( 0.000 4.153 0.000) 4.153 ======================= Grid point 22 (14/90) ======================= 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( 3.850 -26.257 0.000) 26.537 2.640 ( 3.850 26.257 0.000) 26.537 2.927 ( -4.626 -18.117 0.000) 18.698 2.927 ( -4.626 18.117 0.000) 18.698 3.237 ( 2.711 -17.384 0.000) 17.595 3.237 ( 2.711 17.384 0.000) 17.595 3.327 ( -0.017 -17.322 0.000) 17.322 3.327 ( -0.017 17.322 0.000) 17.322 4.574 ( -6.661 -21.514 0.000) 22.522 4.574 ( -6.661 21.514 0.000) 22.522 4.659 ( -7.348 -23.025 0.000) 24.169 4.659 ( -7.348 23.025 0.000) 24.169 5.196 ( 9.565 -6.213 0.000) 11.406 5.196 ( 9.565 6.213 0.000) 11.406 5.653 ( -3.916 -5.197 0.000) 6.508 5.653 ( -3.916 5.197 0.000) 6.508 6.204 ( 5.989 -10.613 0.000) 12.186 6.204 ( 5.989 10.613 0.000) 12.186 6.254 ( 3.121 -7.708 0.000) 8.316 6.254 ( 3.121 7.708 0.000) 8.316 6.577 ( 0.851 -4.088 0.000) 4.175 6.577 ( 0.851 4.088 0.000) 4.175 6.746 ( -4.661 -10.476 0.000) 11.466 6.746 ( -4.661 10.476 0.000) 11.466 7.439 ( 5.313 -7.598 0.000) 9.271 7.439 ( 5.313 7.598 0.000) 9.271 7.648 ( -1.008 -0.679 0.000) 1.215 7.648 ( -1.008 0.679 0.000) 1.215 7.958 ( 1.720 -7.255 0.000) 7.456 7.958 ( 1.720 7.255 0.000) 7.456 8.166 ( -6.980 -16.026 0.000) 17.480 8.166 ( -6.980 16.026 0.000) 17.480 8.544 ( 1.226 -14.743 0.000) 14.794 8.544 ( 1.226 14.743 0.000) 14.794 8.563 ( -0.449 -7.960 0.000) 7.972 8.563 ( -0.449 7.960 0.000) 7.972 9.364 ( 1.815 -0.666 0.000) 1.933 9.364 ( 1.815 0.666 0.000) 1.933 9.454 ( -1.350 -5.670 0.000) 5.829 9.454 ( -1.350 5.670 0.000) 5.829 9.847 ( 1.013 -4.708 0.000) 4.816 9.847 ( 1.013 4.708 0.000) 4.816 9.910 ( -1.087 -5.135 0.000) 5.249 9.910 ( -1.087 5.135 0.000) 5.249 10.714 ( 4.360 -8.041 0.000) 9.147 10.714 ( 4.360 8.041 0.000) 9.147 10.934 ( -2.993 -3.906 0.000) 4.921 10.934 ( -2.993 3.906 0.000) 4.921 11.158 ( 1.906 -6.052 0.000) 6.345 11.158 ( 1.906 6.052 0.000) 6.345 11.339 ( -5.843 -11.024 0.000) 12.477 11.339 ( -5.843 11.024 0.000) 12.477 11.761 ( 4.371 -6.173 0.000) 7.564 11.761 ( 4.371 6.173 0.000) 7.564 11.911 ( -2.024 -13.385 0.000) 13.537 11.911 ( -2.024 13.385 0.000) 13.537 12.596 ( 3.894 -9.477 0.000) 10.246 12.596 ( 3.894 9.477 0.000) 10.246 12.790 ( -2.918 -3.868 0.000) 4.845 12.790 ( -2.918 3.868 0.000) 4.845 13.614 ( 2.530 -5.872 0.000) 6.393 13.614 ( 2.530 5.872 0.000) 6.393 13.777 ( -3.094 -6.723 0.000) 7.401 13.777 ( -3.094 6.723 0.000) 7.401 14.533 ( 1.029 -2.165 0.000) 2.397 14.533 ( 1.029 2.165 0.000) 2.397 14.599 ( -1.381 -3.265 0.000) 3.545 14.599 ( -1.381 3.265 0.000) 3.545 19.216 ( 1.572 -6.850 0.000) 7.028 19.216 ( 1.572 6.850 0.000) 7.028 19.279 ( -0.673 -7.137 0.000) 7.168 19.279 ( -0.673 7.137 0.000) 7.168 21.326 ( 1.829 -11.515 0.000) 11.660 21.326 ( 1.829 11.515 0.000) 11.660 21.448 ( -2.835 -15.660 0.000) 15.914 21.448 ( -2.835 15.660 0.000) 15.914 21.748 ( 3.550 -5.424 0.000) 6.482 21.748 ( 3.550 5.424 0.000) 6.482 21.880 ( -1.392 -4.797 0.000) 4.995 21.880 ( -1.392 4.797 0.000) 4.995 22.248 ( 1.087 -3.134 0.000) 3.317 22.248 ( 1.087 3.134 0.000) 3.317 22.366 ( -3.205 -4.461 0.000) 5.493 22.366 ( -3.205 4.461 0.000) 5.493 ======================= Grid point 24 (15/90) ======================= 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( -7.657 -18.892 0.000) 20.385 2.776 ( 7.657 -18.892 0.000) 20.385 2.776 ( -7.657 18.892 0.000) 20.385 2.776 ( 7.657 18.892 0.000) 20.385 3.305 ( -2.323 -25.803 0.000) 25.907 3.305 ( 2.323 -25.803 0.000) 25.907 3.305 ( -2.323 25.803 0.000) 25.907 3.305 ( 2.323 25.803 0.000) 25.907 4.519 ( -2.812 -21.132 0.000) 21.319 4.519 ( 2.812 -21.132 0.000) 21.319 4.519 ( -2.812 21.132 0.000) 21.319 4.519 ( 2.812 21.132 0.000) 21.319 5.461 ( -12.122 -8.583 0.000) 14.854 5.461 ( 12.122 -8.583 0.000) 14.854 5.461 ( -12.122 8.583 0.000) 14.854 5.461 ( 12.122 8.583 0.000) 14.854 6.295 ( -0.834 -7.487 0.000) 7.533 6.295 ( 0.834 -7.487 0.000) 7.533 6.295 ( -0.834 7.487 0.000) 7.533 6.295 ( 0.834 7.487 0.000) 7.533 6.634 ( -4.437 -9.510 0.000) 10.494 6.634 ( 4.437 -9.510 0.000) 10.494 6.634 ( -4.437 9.510 0.000) 10.494 6.634 ( 4.437 9.510 0.000) 10.494 7.578 ( -5.644 -4.223 0.000) 7.049 7.578 ( 5.644 -4.223 0.000) 7.049 7.578 ( -5.644 4.223 0.000) 7.049 7.578 ( 5.644 4.223 0.000) 7.049 8.023 ( -4.710 -12.250 0.000) 13.124 8.023 ( 4.710 -12.250 0.000) 13.124 8.023 ( -4.710 12.250 0.000) 13.124 8.023 ( 4.710 12.250 0.000) 13.124 8.557 ( -0.161 -14.517 0.000) 14.518 8.557 ( 0.161 -14.517 0.000) 14.518 8.557 ( -0.161 14.517 0.000) 14.518 8.557 ( 0.161 14.517 0.000) 14.518 9.412 ( -2.249 -2.530 0.000) 3.385 9.412 ( 2.249 -2.530 0.000) 3.385 9.412 ( -2.249 2.530 0.000) 3.385 9.412 ( 2.249 2.530 0.000) 3.385 9.878 ( -1.628 -4.439 0.000) 4.728 9.878 ( 1.628 -4.439 0.000) 4.728 9.878 ( -1.628 4.439 0.000) 4.728 9.878 ( 1.628 4.439 0.000) 4.728 10.833 ( -5.610 -6.794 0.000) 8.811 10.833 ( 5.610 -6.794 0.000) 8.811 10.833 ( -5.610 6.794 0.000) 8.811 10.833 ( 5.610 6.794 0.000) 8.811 11.224 ( -4.077 -8.023 0.000) 9.000 11.224 ( 4.077 -8.023 0.000) 9.000 11.224 ( -4.077 8.023 0.000) 9.000 11.224 ( 4.077 8.023 0.000) 9.000 11.850 ( -3.405 -9.554 0.000) 10.143 11.850 ( 3.405 -9.554 0.000) 10.143 11.850 ( -3.405 9.554 0.000) 10.143 11.850 ( 3.405 9.554 0.000) 10.143 12.700 ( -4.828 -3.533 0.000) 5.983 12.700 ( 4.828 -3.533 0.000) 5.983 12.700 ( -4.828 3.533 0.000) 5.983 12.700 ( 4.828 3.533 0.000) 5.983 13.692 ( -4.099 -6.912 0.000) 8.036 13.692 ( 4.099 -6.912 0.000) 8.036 13.692 ( -4.099 6.912 0.000) 8.036 13.692 ( 4.099 6.912 0.000) 8.036 14.563 ( -1.633 -3.443 0.000) 3.810 14.563 ( 1.633 -3.443 0.000) 3.810 14.563 ( -1.633 3.443 0.000) 3.810 14.563 ( 1.633 3.443 0.000) 3.810 19.254 ( -1.536 -7.108 0.000) 7.272 19.254 ( 1.536 -7.108 0.000) 7.272 19.254 ( -1.536 7.108 0.000) 7.272 19.254 ( 1.536 7.108 0.000) 7.272 21.381 ( -2.925 -12.903 0.000) 13.230 21.381 ( 2.925 -12.903 0.000) 13.230 21.381 ( -2.925 12.903 0.000) 13.230 21.381 ( 2.925 12.903 0.000) 13.230 21.828 ( -3.201 -6.073 0.000) 6.865 21.828 ( 3.201 -6.073 0.000) 6.865 21.828 ( -3.201 6.073 0.000) 6.865 21.828 ( 3.201 6.073 0.000) 6.865 22.292 ( -2.895 -4.085 0.000) 5.007 22.292 ( 2.895 -4.085 0.000) 5.007 22.292 ( -2.895 4.085 0.000) 5.007 22.292 ( 2.895 4.085 0.000) 5.007 ======================= Grid point 45 (16/90) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 0.000 0.000 38.295) 38.295 0.780 ( 0.000 0.000 38.687) 38.687 1.543 ( 0.000 0.000 76.166) 76.166 2.320 ( 0.000 0.000 8.092) 8.092 3.167 ( 0.000 0.000 13.875) 13.875 3.486 ( 0.000 0.000 -8.529) 8.529 3.529 ( 0.000 0.000 2.378) 2.378 3.857 ( 0.000 0.000 -10.429) 10.429 3.912 ( 0.000 0.000 4.778) 4.778 4.483 ( 0.000 0.000 -9.454) 9.454 4.656 ( 0.000 0.000 22.009) 22.009 5.163 ( 0.000 0.000 0.831) 0.831 5.287 ( 0.000 0.000 -7.544) 7.544 5.439 ( 0.000 0.000 -1.488) 1.488 5.692 ( 0.000 0.000 -1.026) 1.026 5.770 ( 0.000 0.000 -9.427) 9.427 5.871 ( 0.000 0.000 -5.781) 5.781 5.941 ( 0.000 0.000 -8.520) 8.520 6.224 ( 0.000 0.000 3.932) 3.932 6.343 ( 0.000 0.000 -6.249) 6.249 6.716 ( 0.000 0.000 -9.136) 9.136 6.746 ( 0.000 0.000 4.701) 4.701 6.888 ( 0.000 0.000 -7.443) 7.443 6.973 ( 0.000 0.000 3.400) 3.400 7.063 ( 0.000 0.000 -1.179) 1.179 7.067 ( 0.000 0.000 1.714) 1.714 7.157 ( 0.000 0.000 -2.434) 2.434 7.236 ( 0.000 0.000 -1.423) 1.423 7.451 ( 0.000 0.000 -5.139) 5.139 7.619 ( 0.000 0.000 7.744) 7.744 8.165 ( 0.000 0.000 -12.465) 12.465 8.309 ( 0.000 0.000 7.265) 7.265 8.352 ( 0.000 0.000 -1.204) 1.204 8.382 ( 0.000 0.000 0.331) 0.331 8.580 ( 0.000 0.000 9.462) 9.462 8.593 ( 0.000 0.000 -0.571) 0.571 8.616 ( 0.000 0.000 -1.497) 1.497 8.984 ( 0.000 0.000 -6.126) 6.126 9.647 ( 0.000 0.000 -8.713) 8.713 9.911 ( 0.000 0.000 1.639) 1.639 10.143 ( 0.000 0.000 -12.868) 12.868 10.244 ( 0.000 0.000 -10.227) 10.227 10.305 ( 0.000 0.000 -10.333) 10.333 10.531 ( 0.000 0.000 -3.610) 3.610 10.624 ( 0.000 0.000 -7.602) 7.602 10.709 ( 0.000 0.000 -6.803) 6.803 10.880 ( 0.000 0.000 -2.307) 2.307 10.881 ( 0.000 0.000 8.110) 8.110 11.131 ( 0.000 0.000 -0.277) 0.277 11.133 ( 0.000 0.000 11.280) 11.280 11.304 ( 0.000 0.000 15.543) 15.543 11.377 ( 0.000 0.000 18.401) 18.401 11.435 ( 0.000 0.000 -8.164) 8.164 11.862 ( 0.000 0.000 -6.550) 6.550 12.157 ( 0.000 0.000 0.728) 0.728 12.225 ( 0.000 0.000 -8.632) 8.632 12.445 ( 0.000 0.000 3.486) 3.486 12.456 ( 0.000 0.000 1.995) 1.995 12.903 ( 0.000 0.000 -19.928) 19.928 13.028 ( 0.000 0.000 3.047) 3.047 13.458 ( 0.000 0.000 -10.818) 10.818 13.744 ( 0.000 0.000 -6.820) 6.820 13.886 ( 0.000 0.000 -0.889) 0.889 13.979 ( 0.000 0.000 20.379) 20.379 14.066 ( 0.000 0.000 11.811) 11.811 14.142 ( 0.000 0.000 -2.731) 2.731 14.549 ( 0.000 0.000 2.789) 2.789 16.286 ( 0.000 0.000 -2.576) 2.576 18.977 ( 0.000 0.000 2.239) 2.239 19.093 ( 0.000 0.000 4.090) 4.090 19.939 ( 0.000 0.000 -2.589) 2.589 19.993 ( 0.000 0.000 -0.297) 0.297 20.023 ( 0.000 0.000 1.104) 1.104 20.168 ( 0.000 0.000 -1.526) 1.526 20.208 ( 0.000 0.000 0.351) 0.351 21.327 ( 0.000 0.000 -7.473) 7.473 21.672 ( 0.000 0.000 -0.763) 0.763 21.685 ( 0.000 0.000 4.000) 4.000 21.836 ( 0.000 0.000 2.838) 2.838 21.986 ( 0.000 0.000 -8.724) 8.724 22.255 ( 0.000 0.000 0.425) 0.425 22.264 ( 0.000 0.000 5.861) 5.861 22.549 ( 0.000 0.000 10.806) 10.806 23.970 ( 0.000 0.000 -2.742) 2.742 ======================= Grid point 46 (17/90) ======================= q-point: ( 0.25 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 22.728 0.000 26.691) 35.057 1.215 ( 29.448 0.000 25.719) 39.098 2.007 ( 36.539 0.000 54.449) 65.573 2.113 ( -17.111 0.000 10.385) 20.016 2.638 ( -29.996 0.000 10.809) 31.884 3.673 ( 11.722 0.000 0.656) 11.741 3.697 ( -13.968 0.000 5.465) 14.999 3.775 ( -1.185 0.000 9.139) 9.215 3.879 ( 0.280 0.000 -10.427) 10.431 4.327 ( -12.627 0.000 -6.500) 14.202 4.630 ( 8.857 0.000 13.391) 16.055 5.195 ( 3.446 0.000 -3.428) 4.861 5.317 ( 0.565 0.000 -7.518) 7.539 5.481 ( -3.417 0.000 -3.899) 5.184 5.730 ( 1.681 0.000 -2.184) 2.756 5.750 ( -7.921 0.000 -3.604) 8.702 5.872 ( 8.375 0.000 -7.168) 11.023 6.029 ( 7.610 0.000 -5.843) 9.595 6.214 ( -1.372 0.000 -0.693) 1.537 6.355 ( 2.141 0.000 -5.599) 5.995 6.489 ( -4.368 0.000 -0.622) 4.413 6.680 ( -15.292 0.000 -7.647) 17.098 6.776 ( -0.555 0.000 -1.827) 1.909 6.930 ( -2.977 0.000 4.996) 5.816 6.985 ( -3.486 0.000 3.965) 5.280 7.057 ( -7.032 0.000 -5.279) 8.793 7.274 ( 7.584 0.000 0.448) 7.597 7.398 ( 8.448 0.000 -1.421) 8.567 7.421 ( -0.783 0.000 -4.572) 4.638 7.611 ( -1.167 0.000 5.539) 5.660 8.310 ( 1.905 0.000 4.429) 4.822 8.325 ( 5.912 0.000 -9.466) 11.161 8.367 ( 1.411 0.000 -0.880) 1.663 8.496 ( -4.297 0.000 -0.341) 4.311 8.606 ( 5.511 0.000 3.000) 6.274 8.723 ( 5.237 0.000 -2.178) 5.671 8.761 ( 11.957 0.000 -20.167) 23.445 8.936 ( -3.779 0.000 -5.243) 6.462 9.712 ( 5.059 0.000 -3.969) 6.430 9.892 ( -1.459 0.000 -0.650) 1.598 10.234 ( 6.394 0.000 -14.527) 15.872 10.257 ( 1.906 0.000 -7.817) 8.046 10.322 ( 1.354 0.000 -10.967) 11.050 10.519 ( -0.087 0.000 -2.943) 2.945 10.559 ( -7.982 0.000 -3.224) 8.609 10.687 ( -2.486 0.000 -7.761) 8.149 10.900 ( 1.833 0.000 -1.301) 2.247 10.906 ( 2.294 0.000 8.546) 8.849 11.076 ( -4.595 0.000 -0.502) 4.622 11.100 ( -5.110 0.000 12.816) 13.797 11.308 ( 0.599 0.000 17.191) 17.202 11.364 ( -1.123 0.000 18.277) 18.311 11.480 ( 7.772 0.000 -9.026) 11.912 11.903 ( -10.325 0.000 -4.959) 11.455 12.157 ( 18.261 0.000 -21.670) 28.338 12.447 ( 0.164 0.000 3.287) 3.291 12.455 ( -0.105 0.000 2.238) 2.241 12.594 ( 17.107 0.000 -10.829) 20.246 12.804 ( -7.639 0.000 -19.479) 20.923 13.088 ( 3.663 0.000 2.390) 4.374 13.303 ( -8.882 0.000 -8.769) 12.481 13.611 ( -11.389 0.000 1.563) 11.496 13.927 ( 3.424 0.000 -1.235) 3.640 14.030 ( 7.597 0.000 7.310) 10.543 14.108 ( -2.971 0.000 -2.522) 3.897 14.229 ( 6.321 0.000 11.505) 13.127 14.543 ( 1.531 0.000 8.635) 8.769 15.344 ( -41.298 0.000 40.610) 57.920 18.993 ( 1.430 0.000 2.449) 2.835 19.076 ( -1.467 0.000 3.834) 4.105 19.997 ( 0.300 0.000 -0.159) 0.339 20.017 ( -0.434 0.000 0.793) 0.904 20.175 ( 0.585 0.000 -1.146) 1.287 20.203 ( -0.429 0.000 0.142) 0.452 20.736 ( 33.809 0.000 -36.696) 49.896 21.301 ( -2.606 0.000 -10.107) 10.438 21.692 ( 1.768 0.000 1.652) 2.420 21.724 ( 3.495 0.000 -1.485) 3.797 21.807 ( -2.223 0.000 2.899) 3.653 21.947 ( -3.509 0.000 -9.443) 10.074 22.246 ( 0.199 0.000 3.366) 3.372 22.277 ( 0.015 0.000 3.527) 3.527 22.624 ( 6.845 0.000 13.293) 14.952 23.363 ( -31.047 0.000 26.803) 41.016 ======================= Grid point 47 (18/90) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -24.746 0.000 16.051) 29.496 1.630 ( 24.746 0.000 16.051) 29.496 1.911 ( -31.835 0.000 16.791) 35.992 1.911 ( 31.835 0.000 16.791) 35.992 2.966 ( -41.896 0.000 30.166) 51.626 2.966 ( 41.896 0.000 30.166) 51.626 3.827 ( -3.012 0.000 -1.520) 3.373 3.827 ( 3.012 0.000 -1.520) 3.373 3.993 ( -15.853 0.000 -2.550) 16.057 3.993 ( 15.853 0.000 -2.550) 16.057 5.078 ( -24.873 0.000 -0.339) 24.875 5.078 ( 24.873 0.000 -0.339) 24.875 5.283 ( -3.359 0.000 -7.070) 7.828 5.283 ( 3.359 0.000 -7.070) 7.828 5.734 ( -1.629 0.000 -3.281) 3.663 5.734 ( 1.629 0.000 -3.281) 3.663 6.072 ( -7.489 0.000 -1.843) 7.712 6.072 ( 7.489 0.000 -1.843) 7.712 6.325 ( -14.508 0.000 -8.866) 17.003 6.325 ( 14.508 0.000 -8.866) 17.003 6.439 ( -3.126 0.000 -3.392) 4.613 6.439 ( 3.126 0.000 -3.392) 4.613 6.848 ( -8.040 0.000 -4.577) 9.252 6.848 ( 8.040 0.000 -4.577) 9.252 6.915 ( -1.950 0.000 5.843) 6.160 6.915 ( 1.950 0.000 5.843) 6.160 7.391 ( -2.910 0.000 -0.909) 3.049 7.391 ( 2.910 0.000 -0.909) 3.049 7.547 ( -4.750 0.000 1.442) 4.964 7.547 ( 4.750 0.000 1.442) 4.964 8.353 ( -1.713 0.000 2.360) 2.916 8.353 ( 1.713 0.000 2.360) 2.916 8.415 ( -2.918 0.000 -0.351) 2.939 8.415 ( 2.918 0.000 -0.351) 2.939 8.789 ( -6.821 0.000 -13.832) 15.423 8.789 ( 6.821 0.000 -13.832) 15.423 8.836 ( -4.891 0.000 -3.619) 6.084 8.836 ( 4.891 0.000 -3.619) 6.084 9.833 ( -4.491 0.000 -1.760) 4.823 9.833 ( 4.491 0.000 -1.760) 4.823 10.331 ( -1.672 0.000 -13.435) 13.538 10.331 ( 1.672 0.000 -13.435) 13.538 10.354 ( -7.573 0.000 -2.787) 8.070 10.354 ( 7.573 0.000 -2.787) 8.070 10.587 ( -5.694 0.000 -6.102) 8.346 10.587 ( 5.694 0.000 -6.102) 8.346 10.967 ( -4.271 0.000 0.117) 4.273 10.967 ( 4.271 0.000 0.117) 4.273 10.982 ( -4.508 0.000 10.206) 11.158 10.982 ( 4.508 0.000 10.206) 11.158 11.333 ( -1.464 0.000 18.046) 18.105 11.333 ( 1.464 0.000 18.046) 18.105 11.687 ( -9.560 0.000 -6.583) 11.607 11.687 ( 9.560 0.000 -6.583) 11.607 12.451 ( -0.193 0.000 2.784) 2.791 12.451 ( 0.193 0.000 2.784) 2.791 12.526 ( -14.240 0.000 -21.519) 25.804 12.526 ( 14.240 0.000 -21.519) 25.804 12.960 ( -12.856 0.000 -9.577) 16.031 12.960 ( 12.856 0.000 -9.577) 16.031 13.350 ( -10.394 0.000 2.023) 10.589 13.350 ( 10.394 0.000 2.023) 10.589 14.021 ( -4.482 0.000 -1.945) 4.885 14.021 ( 4.482 0.000 -1.945) 4.885 14.208 ( -6.629 0.000 4.079) 7.783 14.208 ( 6.629 0.000 4.079) 7.783 14.745 ( -16.595 0.000 26.958) 31.656 14.745 ( 16.595 0.000 26.958) 31.656 19.034 ( -2.064 0.000 3.130) 3.749 19.034 ( 2.064 0.000 3.130) 3.749 20.006 ( -0.499 0.000 0.239) 0.553 20.006 ( 0.499 0.000 0.239) 0.553 20.190 ( -0.697 0.000 -0.426) 0.817 20.190 ( 0.697 0.000 -0.426) 0.817 21.179 ( -9.843 0.000 -20.591) 22.822 21.179 ( 9.843 0.000 -20.591) 22.822 21.744 ( -2.633 0.000 2.458) 3.602 21.744 ( 2.633 0.000 2.458) 3.602 21.839 ( -5.581 0.000 -8.118) 9.852 21.839 ( 5.581 0.000 -8.118) 9.852 22.263 ( -1.008 0.000 3.715) 3.849 22.263 ( 1.008 0.000 3.715) 3.849 22.864 ( -15.242 0.000 20.863) 25.837 22.864 ( 15.242 0.000 20.863) 25.837 ======================= Grid point 50 (19/90) ======================= q-point: ( 0.00 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 0.000 20.861 27.627) 34.618 1.219 ( 0.000 30.375 29.308) 42.209 1.888 ( 0.000 35.524 56.414) 66.667 2.495 ( 0.000 16.341 8.753) 18.538 3.165 ( 0.000 0.183 14.524) 14.525 3.384 ( 0.000 -3.758 -6.699) 7.681 3.564 ( 0.000 -3.048 2.073) 3.686 3.867 ( 0.000 -3.799 1.716) 4.168 3.961 ( 0.000 7.900 -6.605) 10.297 4.581 ( 0.000 7.850 -8.279) 11.409 4.671 ( 0.000 4.749 12.982) 13.823 5.019 ( 0.000 -11.923 4.847) 12.870 5.379 ( 0.000 6.186 -8.209) 10.279 5.488 ( 0.000 1.773 -4.892) 5.203 5.644 ( 0.000 -2.797 -0.700) 2.883 5.679 ( 0.000 -8.105 -7.635) 11.135 5.858 ( 0.000 -0.584 -4.537) 4.575 6.052 ( 0.000 10.265 -9.435) 13.942 6.090 ( 0.000 -12.288 4.807) 13.194 6.385 ( 0.000 2.317 -6.527) 6.926 6.668 ( 0.000 -4.194 -7.218) 8.348 6.730 ( 0.000 0.435 6.038) 6.053 6.831 ( 0.000 -5.684 -3.484) 6.667 7.013 ( 0.000 5.170 1.056) 5.277 7.035 ( 0.000 -8.107 -5.398) 9.739 7.154 ( 0.000 8.352 -2.104) 8.612 7.192 ( 0.000 7.322 -1.713) 7.519 7.368 ( 0.000 7.595 -0.484) 7.611 7.539 ( 0.000 9.382 -1.123) 9.449 7.540 ( 0.000 -5.410 3.735) 6.574 8.129 ( 0.000 -7.290 -6.272) 9.617 8.151 ( 0.000 -5.980 2.440) 6.458 8.363 ( 0.000 -2.418 2.922) 3.793 8.512 ( 0.000 7.126 1.074) 7.206 8.612 ( 0.000 14.759 -0.171) 14.760 8.663 ( 0.000 6.949 -0.917) 7.010 8.869 ( 0.000 13.507 -0.499) 13.517 9.037 ( 0.000 5.128 -5.563) 7.566 9.525 ( 0.000 -8.585 -1.445) 8.706 9.785 ( 0.000 -12.253 -0.089) 12.254 10.112 ( 0.000 -3.130 -13.011) 13.382 10.189 ( 0.000 -5.384 -9.826) 11.204 10.232 ( 0.000 -12.422 -5.177) 13.457 10.327 ( 0.000 1.553 -8.202) 8.347 10.634 ( 0.000 -8.068 -7.199) 10.813 10.800 ( 0.000 1.837 2.990) 3.509 10.822 ( 0.000 2.077 1.609) 2.627 11.033 ( 0.000 -7.253 1.539) 7.415 11.123 ( 0.000 8.457 -0.469) 8.470 11.153 ( 0.000 1.585 11.230) 11.341 11.338 ( 0.000 2.916 7.459) 8.009 11.404 ( 0.000 0.138 4.274) 4.276 11.484 ( 0.000 4.457 -2.179) 4.961 11.985 ( 0.000 1.883 -4.558) 4.931 12.120 ( 0.000 -3.411 1.023) 3.561 12.259 ( 0.000 5.117 -11.809) 12.869 12.377 ( 0.000 -5.155 3.491) 6.226 12.572 ( 0.000 10.463 -9.793) 14.331 12.957 ( 0.000 -6.051 1.267) 6.182 12.970 ( 0.000 5.206 -15.687) 16.528 13.395 ( 0.000 -4.431 -7.357) 8.589 13.613 ( 0.000 -10.849 -6.510) 12.652 13.840 ( 0.000 -3.435 -0.854) 3.540 14.008 ( 0.000 2.198 16.378) 16.525 14.182 ( 0.000 8.965 8.315) 12.227 14.234 ( 0.000 7.162 -4.248) 8.327 14.564 ( 0.000 1.526 3.827) 4.120 15.474 ( 0.000 -41.909 36.157) 55.351 18.988 ( 0.000 1.280 2.022) 2.393 19.102 ( 0.000 1.021 4.055) 4.182 19.759 ( 0.000 -12.016 -1.389) 12.096 19.902 ( 0.000 -9.413 0.657) 9.436 20.309 ( 0.000 12.518 -1.318) 12.587 20.406 ( 0.000 15.163 -1.564) 15.243 20.886 ( 0.000 46.858 -42.778) 63.448 21.382 ( 0.000 4.901 -6.747) 8.339 21.670 ( 0.000 -1.486 3.761) 4.044 21.686 ( 0.000 1.361 -1.085) 1.741 21.828 ( 0.000 -0.755 2.692) 2.796 21.974 ( 0.000 -1.512 -8.984) 9.111 22.247 ( 0.000 -1.609 6.291) 6.494 22.267 ( 0.000 1.258 0.936) 1.568 22.526 ( 0.000 -2.240 10.426) 10.664 23.525 ( 0.000 -29.753 21.825) 36.900 ======================= Grid point 51 (20/90) ======================= q-point: ( 0.25 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 20.256 16.763 22.920) 34.880 1.481 ( 20.633 21.887 25.254) 39.275 2.222 ( 2.709 19.293 24.009) 30.919 2.350 ( 11.387 24.061 28.864) 39.265 2.689 ( -28.165 5.937 10.012) 30.475 3.509 ( 0.599 -6.226 4.133) 7.497 3.669 ( 3.526 -6.234 1.025) 7.235 3.754 ( -8.351 -3.083 2.833) 9.342 4.122 ( 7.189 16.861 -7.155) 19.676 4.467 ( -10.267 11.611 -1.358) 15.559 4.591 ( 3.669 -0.865 8.827) 9.598 5.056 ( 1.484 -13.232 2.544) 13.556 5.389 ( -2.465 4.619 -7.304) 8.986 5.444 ( -1.098 -5.000 -9.844) 11.096 5.673 ( 1.558 -2.755 -1.012) 3.323 5.731 ( -9.790 -0.935 -4.692) 10.896 5.825 ( 8.126 -2.683 -2.971) 9.059 6.035 ( -0.539 -14.380 1.897) 14.515 6.131 ( 6.522 8.903 -7.485) 13.335 6.401 ( 2.737 2.541 -5.875) 6.962 6.536 ( -5.947 3.570 -3.528) 7.782 6.704 ( -3.126 -2.174 -0.941) 3.922 6.748 ( -7.887 2.786 -4.343) 9.425 6.851 ( -7.211 -8.767 0.464) 11.361 7.031 ( -0.538 6.518 3.375) 7.360 7.174 ( -2.167 8.241 -3.948) 9.391 7.318 ( 6.462 1.301 -3.103) 7.286 7.406 ( -0.601 5.875 -0.250) 5.911 7.510 ( 3.107 1.922 -0.065) 3.654 7.585 ( 1.025 1.594 4.080) 4.499 8.198 ( 3.937 -4.000 2.871) 6.304 8.267 ( 8.297 -11.581 -5.654) 15.327 8.450 ( 0.520 2.013 -0.644) 2.176 8.465 ( -1.648 6.008 -2.316) 6.647 8.684 ( 2.720 7.338 -0.884) 7.875 8.768 ( 9.371 4.431 -7.665) 12.892 8.888 ( 1.234 10.593 -2.571) 10.970 8.989 ( -3.824 5.269 -4.895) 8.145 9.596 ( 5.412 -9.887 -1.603) 11.385 9.764 ( -1.677 -12.229 -1.002) 12.384 10.183 ( 3.972 -5.540 -10.379) 12.417 10.197 ( 3.564 -5.203 -11.544) 13.154 10.299 ( 3.280 -11.204 -5.764) 13.019 10.334 ( 0.617 0.813 -8.837) 8.896 10.567 ( -4.610 -4.381 -5.459) 8.382 10.734 ( -7.171 0.342 1.612) 7.358 10.843 ( 1.758 -1.425 2.334) 3.251 10.976 ( -3.601 -3.261 2.955) 5.686 11.110 ( -0.032 6.572 3.635) 7.510 11.169 ( -1.212 5.268 8.382) 9.974 11.305 ( -1.277 1.637 6.482) 6.806 11.361 ( -2.959 1.918 10.023) 10.625 11.516 ( 5.379 1.630 -0.234) 5.625 11.874 ( -9.846 -3.103 -3.393) 10.866 12.133 ( 8.485 -3.477 -3.519) 9.822 12.357 ( -1.538 -6.593 2.303) 7.151 12.579 ( 9.806 2.956 -5.135) 11.457 12.634 ( 10.804 8.641 -17.516) 22.321 12.890 ( -6.068 6.151 -14.517) 16.894 13.031 ( 4.766 -5.059 1.119) 7.040 13.265 ( -8.525 -2.682 -9.334) 12.922 13.507 ( -8.643 -8.525 -1.771) 12.268 13.913 ( 3.736 -2.337 0.013) 4.406 14.003 ( 1.912 -1.074 8.757) 9.028 14.200 ( -1.119 7.628 -0.488) 7.725 14.283 ( 3.368 4.346 5.566) 7.824 14.569 ( 2.401 2.369 9.057) 9.665 15.120 ( -21.179 -15.777 33.918) 42.987 19.006 ( 1.468 1.331 2.323) 3.053 19.086 ( -1.352 1.144 3.790) 4.184 19.832 ( 3.696 -13.766 -0.825) 14.278 19.899 ( -0.319 -9.821 0.524) 9.840 20.312 ( 0.296 12.817 -1.347) 12.891 20.358 ( -2.260 15.717 -1.702) 15.970 21.106 ( 12.587 25.002 -34.361) 44.319 21.367 ( -1.490 5.796 -8.893) 10.719 21.680 ( 1.429 -1.414 2.717) 3.380 21.737 ( 3.865 1.416 -3.697) 5.533 21.797 ( -2.377 -1.091 2.528) 3.637 21.943 ( -2.844 -0.599 -9.575) 10.006 22.241 ( 0.145 -0.681 4.796) 4.846 22.273 ( -0.182 0.002 3.084) 3.089 22.597 ( 6.379 -2.724 12.592) 14.376 23.195 ( -20.617 -13.953 25.853) 35.890 ======================= Grid point 52 (21/90) ======================= q-point: (-0.50 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -23.115 13.316 17.084) 31.678 1.776 ( 23.115 13.316 17.084) 31.678 2.051 ( -26.945 13.472 15.055) 33.677 2.051 ( 26.945 13.472 15.055) 33.677 3.082 ( -33.364 12.202 23.876) 42.803 3.082 ( 33.364 12.202 23.876) 42.803 3.705 ( -0.365 -8.301 -1.139) 8.387 3.705 ( 0.365 -8.301 -1.139) 8.387 4.230 ( -8.373 18.471 -0.887) 20.300 4.230 ( 8.373 18.471 -0.887) 20.300 4.923 ( -16.717 -13.311 1.219) 21.403 4.923 ( 16.717 -13.311 1.219) 21.403 5.344 ( -2.812 2.441 -8.010) 8.834 5.344 ( 2.812 2.441 -8.010) 8.834 5.666 ( -1.963 -4.374 -3.706) 6.059 5.666 ( 1.963 -4.374 -3.706) 6.059 5.993 ( -4.962 -7.443 -1.529) 9.075 5.993 ( 4.962 -7.443 -1.529) 9.075 6.324 ( -9.983 4.146 -4.703) 11.788 6.324 ( 9.983 4.146 -4.703) 11.788 6.560 ( -6.346 6.990 -6.456) 11.438 6.560 ( 6.346 6.990 -6.456) 11.438 6.720 ( -3.911 -7.201 0.107) 8.195 6.720 ( 3.911 -7.201 0.107) 8.195 7.060 ( -4.318 9.383 1.050) 10.382 7.060 ( 4.318 9.383 1.050) 10.382 7.402 ( -1.037 0.644 -3.066) 3.301 7.402 ( 1.037 0.644 -3.066) 3.301 7.577 ( -1.750 2.550 3.921) 4.994 7.577 ( 1.750 2.550 3.921) 4.994 8.302 ( -4.460 -3.276 3.355) 6.472 8.302 ( 4.460 -3.276 3.355) 6.472 8.456 ( -1.904 1.832 -5.524) 6.123 8.456 ( 1.904 1.832 -5.524) 6.123 8.793 ( -5.908 4.544 -6.404) 9.827 8.793 ( 5.908 4.544 -6.404) 9.827 8.927 ( -1.747 5.967 -4.925) 7.932 8.927 ( 1.747 5.967 -4.925) 7.932 9.709 ( -3.747 -11.968 -2.170) 12.727 9.709 ( 3.747 -11.968 -2.170) 12.727 10.258 ( -2.160 -6.941 -8.874) 11.472 10.258 ( 2.160 -6.941 -8.874) 11.472 10.335 ( -1.563 -2.871 -9.547) 10.092 10.335 ( 1.563 -2.871 -9.547) 10.092 10.552 ( -5.900 -2.430 -0.933) 6.448 10.552 ( 5.900 -2.430 -0.933) 6.448 10.898 ( -3.162 -2.594 4.023) 5.737 10.898 ( 3.162 -2.594 4.023) 5.737 11.126 ( -1.513 8.509 5.138) 10.054 11.126 ( 1.513 8.509 5.138) 10.054 11.315 ( -1.458 0.395 11.128) 11.230 11.315 ( 1.458 0.395 11.128) 11.230 11.675 ( -8.204 -1.662 -2.461) 8.725 11.675 ( 8.204 -1.662 -2.461) 8.725 12.290 ( -4.859 -8.282 0.142) 9.603 12.290 ( 4.859 -8.282 0.142) 9.603 12.724 ( -7.418 9.936 -12.859) 17.864 12.724 ( 7.418 9.936 -12.859) 17.864 12.946 ( -12.109 -1.459 -9.785) 15.637 12.946 ( 12.109 -1.459 -9.785) 15.637 13.285 ( -9.551 -5.130 -1.214) 10.909 13.285 ( 9.551 -5.130 -1.214) 10.909 13.993 ( -3.296 -2.543 2.571) 4.893 13.993 ( 3.296 -2.543 2.571) 4.893 14.249 ( -4.569 4.068 1.732) 6.358 14.249 ( 4.569 4.068 1.732) 6.358 14.744 ( -12.557 -0.234 21.235) 24.671 14.744 ( 12.557 -0.234 21.235) 24.671 19.047 ( -2.007 1.327 3.062) 3.895 19.047 ( 2.007 1.327 3.062) 3.895 19.884 ( -1.222 -11.302 0.082) 11.368 19.884 ( 1.222 -11.302 0.082) 11.368 20.325 ( -0.911 13.683 -1.363) 13.781 20.325 ( 0.911 13.683 -1.363) 13.781 21.301 ( -5.051 10.020 -17.414) 20.716 21.301 ( 5.051 10.020 -17.414) 20.716 21.730 ( -2.800 -1.448 2.316) 3.912 21.730 ( 2.800 -1.448 2.316) 3.912 21.850 ( -5.139 0.910 -8.932) 10.345 21.850 ( 5.139 0.910 -8.932) 10.345 22.257 ( -1.025 -0.493 4.237) 4.387 22.257 ( 1.025 -0.493 4.237) 4.387 22.813 ( -13.173 -4.932 19.085) 23.709 22.813 ( 13.173 -4.932 19.085) 23.709 ======================= Grid point 55 (22/90) ======================= q-point: ( 0.00 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 0.000 28.518 15.333) 32.379 1.800 ( 0.000 30.318 25.982) 39.928 2.743 ( 0.000 43.832 28.263) 52.154 2.871 ( 0.000 19.379 9.409) 21.543 3.196 ( 0.000 3.396 15.254) 15.628 3.313 ( 0.000 -4.900 -0.616) 4.939 3.476 ( 0.000 -4.017 0.747) 4.086 3.788 ( 0.000 -4.351 -2.164) 4.860 4.056 ( 0.000 3.046 4.331) 5.295 4.564 ( 0.000 -12.663 0.844) 12.691 4.814 ( 0.000 4.341 -11.262) 12.070 4.933 ( 0.000 7.065 2.229) 7.409 5.347 ( 0.000 -2.440 -0.041) 2.441 5.395 ( 0.000 -9.475 -8.308) 12.601 5.659 ( 0.000 2.109 0.196) 2.118 5.684 ( 0.000 -11.586 1.717) 11.712 5.764 ( 0.000 5.518 -1.139) 5.634 5.961 ( 0.000 2.774 -0.247) 2.785 6.269 ( 0.000 7.828 -11.212) 13.674 6.407 ( 0.000 1.932 -5.467) 5.798 6.599 ( 0.000 -2.778 -7.350) 7.857 6.666 ( 0.000 -10.708 -1.520) 10.815 6.752 ( 0.000 -0.015 3.539) 3.539 6.875 ( 0.000 -5.022 0.928) 5.108 7.140 ( 0.000 6.521 1.602) 6.715 7.312 ( 0.000 12.030 -3.921) 12.653 7.403 ( 0.000 -2.223 -1.594) 2.736 7.413 ( 0.000 13.472 -4.672) 14.259 7.549 ( 0.000 4.762 -0.479) 4.786 7.712 ( 0.000 4.531 2.299) 5.081 7.922 ( 0.000 -11.190 -0.678) 11.211 8.137 ( 0.000 5.711 0.205) 5.714 8.372 ( 0.000 2.490 3.241) 4.087 8.686 ( 0.000 6.581 -3.165) 7.302 8.838 ( 0.000 9.476 -2.420) 9.780 8.894 ( 0.000 13.806 -1.942) 13.942 9.087 ( 0.000 8.344 -3.952) 9.233 9.169 ( 0.000 7.472 -4.044) 8.496 9.336 ( 0.000 -10.746 0.885) 10.782 9.456 ( 0.000 -20.288 -2.048) 20.391 10.009 ( 0.000 -10.154 -7.977) 12.912 10.026 ( 0.000 -5.711 -12.756) 13.976 10.045 ( 0.000 -8.879 -8.718) 12.443 10.306 ( 0.000 -8.687 -9.040) 12.538 10.450 ( 0.000 -3.487 -1.331) 3.733 10.757 ( 0.000 -2.647 -0.737) 2.748 10.945 ( 0.000 -0.869 1.876) 2.068 10.958 ( 0.000 8.401 5.360) 9.965 11.184 ( 0.000 1.201 11.268) 11.332 11.221 ( 0.000 2.961 12.419) 12.767 11.367 ( 0.000 -3.328 1.119) 3.511 11.387 ( 0.000 1.955 -2.713) 3.344 11.595 ( 0.000 6.013 3.630) 7.024 11.888 ( 0.000 -8.407 -1.701) 8.577 12.043 ( 0.000 -4.110 5.004) 6.476 12.295 ( 0.000 -2.274 1.942) 2.990 12.348 ( 0.000 2.144 -12.948) 13.125 12.617 ( 0.000 -7.154 -0.030) 7.154 12.911 ( 0.000 0.256 -7.099) 7.103 13.051 ( 0.000 1.421 -6.110) 6.273 13.376 ( 0.000 4.449 -7.543) 8.757 13.406 ( 0.000 -7.923 -10.672) 13.291 13.756 ( 0.000 -5.246 -2.140) 5.666 14.016 ( 0.000 -2.046 7.652) 7.920 14.356 ( 0.000 8.108 5.384) 9.733 14.385 ( 0.000 7.770 -2.922) 8.301 14.603 ( 0.000 2.052 4.861) 5.276 14.960 ( 0.000 -14.570 23.939) 28.024 19.028 ( 0.000 2.743 1.663) 3.208 19.136 ( 0.000 2.564 3.846) 4.623 19.535 ( 0.000 -10.492 -0.463) 10.502 19.686 ( 0.000 -11.505 1.508) 11.604 20.635 ( 0.000 19.616 -2.494) 19.773 20.718 ( 0.000 16.044 -2.498) 16.237 21.469 ( 0.000 10.552 -27.110) 29.091 21.495 ( 0.000 9.241 -8.005) 12.226 21.640 ( 0.000 0.295 -0.423) 0.516 21.721 ( 0.000 1.930 -2.304) 3.005 21.806 ( 0.000 -1.439 2.423) 2.818 21.909 ( 0.000 -5.663 -9.098) 10.717 22.216 ( 0.000 -1.010 7.115) 7.186 22.308 ( 0.000 3.012 2.480) 3.902 22.466 ( 0.000 -3.791 9.368) 10.106 23.046 ( 0.000 -19.236 22.110) 29.306 ======================= Grid point 56 (23/90) ======================= q-point: ( 0.25 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 14.662 24.745 15.132) 32.500 1.962 ( 13.493 26.900 23.080) 37.926 2.605 ( -18.320 18.034 10.513) 27.774 2.816 ( -12.366 13.587 14.163) 23.197 3.053 ( 9.011 34.297 18.820) 40.146 3.434 ( 5.816 -5.702 1.481) 8.278 3.503 ( 0.409 -6.138 4.194) 7.445 3.713 ( -6.721 -0.972 0.510) 6.810 4.241 ( 12.611 -3.367 3.362) 13.479 4.574 ( 1.667 -14.662 1.771) 14.862 4.675 ( -6.953 8.140 -5.826) 12.188 4.939 ( -5.236 12.269 3.973) 13.919 5.293 ( -1.884 -3.250 -6.119) 7.180 5.407 ( -1.434 -6.892 -5.488) 8.926 5.569 ( -3.606 -12.462 0.073) 12.974 5.669 ( -7.527 -4.623 -1.685) 8.993 5.852 ( 6.697 5.580 -0.761) 8.750 5.925 ( 3.529 7.232 -1.101) 8.122 6.304 ( 2.088 5.599 -9.549) 11.264 6.417 ( 1.314 -0.125 -6.219) 6.357 6.578 ( -1.288 1.838 -7.007) 7.358 6.641 ( -2.904 -10.262 0.003) 10.665 6.707 ( -2.297 1.293 1.407) 2.988 6.823 ( -3.756 3.271 1.498) 5.201 7.167 ( 1.891 6.995 2.555) 7.683 7.332 ( 0.708 7.105 -4.261) 8.315 7.375 ( -0.009 7.004 -5.583) 8.957 7.454 ( -0.810 -0.223 -3.319) 3.424 7.592 ( 1.827 8.488 2.841) 9.136 7.668 ( -1.562 2.764 2.274) 3.905 8.038 ( 8.816 -10.078 -0.482) 13.399 8.207 ( 4.976 4.113 1.597) 6.650 8.409 ( 2.429 -2.524 -1.442) 3.788 8.630 ( -4.643 6.252 -3.331) 8.470 8.870 ( 2.864 10.238 -2.418) 10.902 8.941 ( 3.709 11.063 -2.796) 11.998 9.063 ( -2.212 7.933 -4.229) 9.258 9.132 ( -3.203 8.411 -3.742) 9.747 9.360 ( 1.790 -13.365 -0.460) 13.492 9.431 ( -1.682 -21.211 -2.506) 21.424 10.036 ( 2.509 -8.502 -7.893) 11.869 10.070 ( 2.797 -8.212 -11.631) 14.510 10.091 ( 3.563 -9.920 -8.554) 13.575 10.279 ( -2.545 -10.270 -9.766) 14.399 10.464 ( 1.777 0.019 -0.428) 1.828 10.744 ( -4.572 0.951 2.507) 5.300 10.838 ( -2.958 1.264 -1.063) 3.388 10.947 ( -2.770 1.193 4.766) 5.641 11.195 ( 1.094 1.996 11.370) 11.595 11.237 ( 0.715 2.675 13.260) 13.546 11.371 ( 1.046 0.946 -0.922) 1.685 11.412 ( 1.400 3.541 -2.294) 4.446 11.582 ( -0.441 5.743 4.971) 7.609 11.782 ( -8.711 -5.536 0.511) 10.334 12.036 ( 3.770 -5.878 1.333) 7.109 12.248 ( -3.606 -4.167 1.259) 5.653 12.549 ( 11.557 -4.379 -7.189) 14.298 12.706 ( 7.182 -3.612 -3.486) 8.762 12.942 ( 1.717 -2.687 -5.647) 6.485 12.982 ( -5.831 -0.604 -3.224) 6.690 13.272 ( -5.056 4.246 -13.651) 15.164 13.380 ( -3.979 -0.696 -6.930) 8.021 13.827 ( 4.759 -5.869 -1.384) 7.682 13.979 ( -2.348 -2.583 6.456) 7.339 14.359 ( -1.328 7.743 -1.158) 7.941 14.387 ( 0.499 6.465 4.081) 7.661 14.616 ( 2.543 1.889 7.787) 8.407 14.879 ( -6.130 -8.571 19.291) 21.982 19.046 ( 1.542 2.816 2.005) 3.785 19.124 ( -1.149 2.704 3.586) 4.636 19.579 ( 3.129 -11.606 -0.231) 12.022 19.677 ( -0.892 -11.683 1.230) 11.781 20.641 ( 0.600 19.567 -2.585) 19.746 20.697 ( -1.570 17.552 -2.734) 17.833 21.481 ( 0.777 8.737 -19.718) 21.580 21.495 ( 0.000 9.716 -10.325) 14.178 21.637 ( 0.701 -2.324 2.699) 3.630 21.759 ( -3.322 -2.659 1.323) 4.456 21.776 ( 3.805 1.854 -7.163) 8.320 21.909 ( -0.788 -3.307 -8.809) 9.442 22.225 ( 0.871 -0.416 6.466) 6.538 22.292 ( -1.378 2.092 3.807) 4.557 22.522 ( 5.089 -4.714 10.911) 12.929 22.913 ( -9.956 -13.732 20.347) 26.490 ======================= Grid point 57 (24/90) ======================= q-point: (-0.50 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( -19.690 18.680 15.651) 31.331 2.098 ( 19.690 18.680 15.651) 31.331 2.390 ( -18.059 20.173 13.239) 30.139 2.390 ( 18.059 20.173 13.239) 30.139 3.404 ( -13.294 12.971 8.683) 20.503 3.404 ( 13.294 12.971 8.683) 20.503 3.538 ( -5.128 -3.380 3.808) 7.226 3.538 ( 5.128 -3.380 3.808) 7.226 4.485 ( -8.080 -9.383 -0.529) 12.394 4.485 ( 8.080 -9.383 -0.529) 12.394 4.732 ( -9.088 9.268 6.884) 14.692 4.732 ( 9.088 9.268 6.884) 14.692 5.313 ( -4.622 -4.176 -8.090) 10.211 5.313 ( 4.622 -4.176 -8.090) 10.211 5.560 ( -3.730 -7.164 -3.082) 8.645 5.560 ( 3.730 -7.164 -3.082) 8.645 5.964 ( -1.784 5.578 -1.048) 5.950 5.964 ( 1.784 5.578 -1.048) 5.950 6.377 ( -4.464 -0.263 -7.251) 8.519 6.377 ( 4.464 -0.263 -7.251) 8.519 6.600 ( -1.884 -3.510 -1.022) 4.113 6.600 ( 1.884 -3.510 -1.022) 4.113 6.716 ( -4.989 7.493 -0.828) 9.040 6.716 ( 4.989 7.493 -0.828) 9.040 7.249 ( -5.781 9.446 -1.408) 11.164 7.249 ( 5.781 9.446 -1.408) 11.164 7.409 ( -2.014 1.173 -4.233) 4.832 7.409 ( 2.014 1.173 -4.233) 4.832 7.638 ( -1.870 3.482 3.854) 5.520 7.638 ( 1.870 3.482 3.854) 5.520 8.222 ( -5.263 -4.499 1.229) 7.032 8.222 ( 5.263 -4.499 1.229) 7.032 8.501 ( -6.124 2.036 -4.519) 7.878 8.501 ( 6.124 2.036 -4.519) 7.878 8.959 ( -4.303 10.925 -3.684) 12.306 8.959 ( 4.303 10.925 -3.684) 12.306 9.051 ( -3.435 6.532 -3.436) 8.140 9.051 ( 3.435 6.532 -3.436) 8.140 9.397 ( -1.425 -18.418 -2.288) 18.614 9.397 ( 1.425 -18.418 -2.288) 18.614 10.089 ( -1.253 -9.813 -8.373) 12.960 10.089 ( 1.253 -9.813 -8.373) 12.960 10.195 ( -4.763 -10.605 -10.355) 15.568 10.195 ( 4.763 -10.605 -10.355) 15.568 10.563 ( -7.526 4.020 1.709) 8.701 10.563 ( 7.526 4.020 1.709) 8.701 10.871 ( -3.304 -0.212 1.683) 3.714 10.871 ( 3.304 -0.212 1.683) 3.714 11.227 ( -1.425 2.173 12.746) 13.008 11.227 ( 1.425 2.173 12.746) 13.008 11.413 ( -1.659 7.166 -2.287) 7.702 11.413 ( 1.659 7.166 -2.287) 7.702 11.621 ( -4.696 -2.784 3.911) 6.716 11.621 ( 4.696 -2.784 3.911) 6.716 12.147 ( -5.188 -6.469 0.811) 8.332 12.147 ( 5.188 -6.469 0.811) 8.332 12.774 ( -7.846 -4.670 -4.306) 10.095 12.774 ( 7.846 -4.670 -4.306) 10.095 12.908 ( -4.795 -3.783 -4.766) 7.747 12.908 ( 4.795 -3.783 -4.766) 7.747 13.265 ( -4.541 5.350 -10.176) 12.361 13.265 ( 4.541 5.350 -10.176) 12.361 13.920 ( -3.292 -4.971 2.360) 6.412 13.920 ( 3.292 -4.971 2.360) 6.412 14.360 ( -1.621 6.869 1.774) 7.277 14.360 ( 1.621 6.869 1.774) 7.277 14.730 ( -6.654 -1.302 12.516) 14.235 14.730 ( 6.654 -1.302 12.516) 14.235 19.088 ( -1.934 2.866 2.822) 4.463 19.088 ( 1.934 2.866 2.822) 4.463 19.643 ( -2.257 -12.049 0.511) 12.269 19.643 ( 2.257 -12.049 0.511) 12.269 20.663 ( -1.335 19.129 -2.767) 19.374 20.663 ( 1.335 19.129 -2.767) 19.374 21.493 ( -0.270 8.538 -12.143) 14.847 21.493 ( 0.270 8.538 -12.143) 14.847 21.682 ( -3.092 -3.535 1.683) 4.990 21.682 ( 3.092 -3.535 1.683) 4.990 21.861 ( -3.313 -0.219 -9.417) 9.985 21.861 ( 3.313 -0.219 -9.417) 9.985 22.255 ( -1.720 0.672 5.444) 5.748 22.255 ( 1.720 0.672 5.444) 5.748 22.686 ( -9.307 -7.559 15.290) 19.430 22.686 ( 9.307 -7.559 15.290) 19.430 ======================= Grid point 60 (25/90) ======================= q-point: ( 0.00 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 0.000 29.385 8.483) 30.585 2.420 ( 0.000 32.104 16.201) 35.960 3.080 ( 0.000 -17.147 -1.618) 17.223 3.157 ( 0.000 8.031 7.856) 11.234 3.244 ( 0.000 3.702 8.150) 8.952 3.295 ( 0.000 5.300 12.778) 13.833 3.591 ( 0.000 9.428 20.270) 22.356 3.625 ( 0.000 -13.764 4.057) 14.350 4.250 ( 0.000 22.764 4.824) 23.269 4.409 ( 0.000 2.958 3.396) 4.504 4.771 ( 0.000 -4.581 -15.375) 16.043 5.058 ( 0.000 0.783 2.568) 2.685 5.186 ( 0.000 -10.565 -8.580) 13.610 5.272 ( 0.000 -16.133 5.544) 17.059 5.497 ( 0.000 5.117 -3.048) 5.956 5.660 ( 0.000 -2.257 -3.378) 4.062 5.925 ( 0.000 6.404 -4.784) 7.994 6.066 ( 0.000 5.761 -2.082) 6.126 6.272 ( 0.000 -5.875 -5.610) 8.123 6.328 ( 0.000 -16.299 -5.892) 17.332 6.525 ( 0.000 9.029 -0.356) 9.036 6.595 ( 0.000 -1.793 -2.984) 3.481 6.728 ( 0.000 -0.425 3.240) 3.268 6.925 ( 0.000 3.460 3.989) 5.280 7.261 ( 0.000 6.140 1.701) 6.371 7.416 ( 0.000 3.174 -4.042) 5.139 7.616 ( 0.000 2.043 -1.266) 2.404 7.643 ( 0.000 6.565 -2.908) 7.180 7.679 ( 0.000 22.187 -6.636) 23.158 7.772 ( 0.000 -0.591 0.815) 1.006 7.778 ( 0.000 9.609 1.569) 9.736 8.279 ( 0.000 4.273 -5.069) 6.630 8.390 ( 0.000 -3.123 -1.669) 3.541 8.649 ( 0.000 -11.993 -5.895) 13.364 8.864 ( 0.000 -9.519 -1.119) 9.584 9.004 ( 0.000 -20.624 2.566) 20.783 9.155 ( 0.000 12.707 -4.054) 13.338 9.230 ( 0.000 6.556 -3.502) 7.433 9.248 ( 0.000 5.559 2.043) 5.923 9.341 ( 0.000 7.350 -6.509) 9.817 9.852 ( 0.000 -5.200 -8.166) 9.681 9.857 ( 0.000 -9.473 -6.689) 11.597 9.897 ( 0.000 -7.195 -9.623) 12.015 10.054 ( 0.000 -12.661 -7.715) 14.826 10.519 ( 0.000 6.725 1.052) 6.807 10.708 ( 0.000 -2.488 -2.082) 3.244 10.985 ( 0.000 4.202 2.443) 4.861 11.101 ( 0.000 3.716 9.547) 10.245 11.192 ( 0.000 -0.183 10.227) 10.229 11.260 ( 0.000 -1.075 5.070) 5.182 11.320 ( 0.000 3.047 9.467) 9.945 11.436 ( 0.000 3.461 -6.316) 7.202 11.659 ( 0.000 -1.500 1.240) 1.946 11.714 ( 0.000 -8.547 -5.124) 9.966 11.982 ( 0.000 -0.256 12.787) 12.789 12.265 ( 0.000 -9.982 -0.980) 10.030 12.321 ( 0.000 5.003 -2.597) 5.637 12.525 ( 0.000 -1.340 -7.722) 7.837 12.853 ( 0.000 -4.170 0.950) 4.277 12.976 ( 0.000 -7.506 -0.119) 7.507 13.378 ( 0.000 4.038 -12.294) 12.940 13.545 ( 0.000 9.969 -8.001) 12.783 13.640 ( 0.000 -5.784 -4.294) 7.204 13.927 ( 0.000 -6.749 0.638) 6.780 14.489 ( 0.000 5.309 3.740) 6.494 14.520 ( 0.000 5.315 0.413) 5.331 14.635 ( 0.000 1.401 4.436) 4.652 14.778 ( 0.000 -5.920 11.923) 13.312 19.097 ( 0.000 4.372 1.150) 4.521 19.203 ( 0.000 4.179 3.174) 5.248 19.352 ( 0.000 -8.058 0.575) 8.079 19.478 ( 0.000 -9.415 2.489) 9.739 21.020 ( 0.000 14.687 -3.284) 15.050 21.042 ( 0.000 20.761 -3.900) 21.125 21.456 ( 0.000 -6.579 -5.686) 8.696 21.611 ( 0.000 4.326 -0.460) 4.351 21.723 ( 0.000 -7.500 -11.703) 13.900 21.741 ( 0.000 -0.922 -3.074) 3.209 21.758 ( 0.000 0.231 -10.911) 10.913 21.785 ( 0.000 0.099 0.383) 0.396 22.227 ( 0.000 2.285 6.430) 6.824 22.378 ( 0.000 -1.961 5.797) 6.120 22.395 ( 0.000 3.003 7.188) 7.790 22.738 ( 0.000 -12.760 15.131) 19.793 ======================= Grid point 61 (26/90) ======================= q-point: ( 0.25 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 9.369 26.579 9.451) 29.724 2.525 ( 8.573 29.655 15.569) 34.573 2.897 ( -14.326 10.803 6.567) 19.107 3.077 ( -8.250 9.046 9.822) 15.696 3.175 ( 0.039 -12.401 5.280) 13.478 3.330 ( -2.587 -2.468 5.984) 6.971 3.585 ( 4.630 -10.071 3.611) 11.658 3.748 ( 3.878 4.234 9.181) 10.828 4.261 ( 0.555 12.159 7.932) 14.528 4.313 ( -5.719 1.210 4.903) 7.630 4.733 ( -0.026 -2.153 -8.599) 8.865 5.060 ( -4.873 -8.456 4.514) 10.753 5.207 ( 1.045 -8.562 -4.535) 9.746 5.285 ( 6.020 -7.159 -1.931) 9.551 5.457 ( -3.770 11.010 -2.044) 11.816 5.630 ( -4.899 -0.959 -4.102) 6.461 5.992 ( 5.222 7.338 -3.898) 9.814 6.073 ( 2.693 6.210 -2.058) 7.074 6.297 ( 1.317 -4.797 -7.435) 8.945 6.393 ( 2.825 -11.484 -2.742) 12.140 6.493 ( -0.909 7.717 -0.377) 7.779 6.613 ( 0.309 -0.124 -0.839) 0.903 6.728 ( 0.900 -1.493 1.158) 2.093 6.874 ( -3.739 0.920 2.038) 4.357 7.295 ( 3.184 6.239 1.187) 7.104 7.451 ( 2.693 4.550 -4.955) 7.246 7.539 ( -4.105 8.137 -5.373) 10.580 7.604 ( -3.344 7.654 -4.233) 9.364 7.720 ( 0.611 9.852 -2.105) 10.092 7.734 ( -0.984 7.837 1.034) 7.966 7.938 ( 9.935 1.589 1.962) 10.251 8.271 ( -1.422 -0.381 -0.615) 1.596 8.370 ( 0.289 -2.234 -3.560) 4.212 8.624 ( -3.048 -6.800 -2.980) 8.026 8.869 ( 0.701 -14.617 -3.211) 14.982 8.973 ( -2.348 -22.130 -1.615) 22.313 9.170 ( 1.088 12.238 -4.138) 12.964 9.225 ( -0.634 8.006 -3.413) 8.726 9.260 ( 0.861 6.332 1.083) 6.482 9.310 ( -1.942 9.052 -4.394) 10.247 9.871 ( 1.179 -9.436 -6.923) 11.763 9.875 ( 1.263 -7.227 -7.096) 10.206 9.922 ( 2.145 -8.484 -9.613) 12.999 10.032 ( -1.853 -12.106 -7.902) 14.575 10.558 ( 3.653 7.297 0.578) 8.181 10.745 ( 2.815 -1.088 -1.010) 3.182 10.901 ( -7.117 4.624 -1.233) 8.577 10.996 ( -6.028 2.343 5.409) 8.432 11.212 ( 1.746 0.452 10.718) 10.869 11.293 ( 0.725 2.715 13.072) 13.370 11.317 ( 1.998 -3.291 3.366) 5.114 11.528 ( 3.498 6.831 -5.074) 9.200 11.573 ( -2.752 -6.989 3.058) 8.110 11.782 ( 0.141 3.742 1.183) 3.927 11.916 ( -0.739 -4.410 4.211) 6.142 12.160 ( -6.068 -6.515 1.222) 8.987 12.467 ( 9.010 -0.839 -3.184) 9.593 12.627 ( 6.799 -3.863 -5.392) 9.499 12.844 ( -1.364 -5.329 -0.099) 5.502 12.892 ( -6.556 -6.626 -0.312) 9.326 13.381 ( 0.961 7.089 -11.222) 13.308 13.517 ( -2.759 10.547 -8.040) 13.546 13.694 ( 4.296 -7.436 -3.311) 9.204 13.886 ( -3.268 -6.714 0.397) 7.478 14.489 ( -0.071 5.630 1.909) 5.945 14.523 ( -0.396 6.393 2.646) 6.930 14.632 ( 0.941 -0.166 5.588) 5.669 14.754 ( -2.124 -5.008 9.679) 11.103 19.118 ( 1.682 4.513 1.524) 5.052 19.194 ( -0.931 4.479 3.104) 5.529 19.379 ( 2.172 -8.768 0.586) 9.052 19.467 ( -1.019 -9.451 2.104) 9.736 21.025 ( 0.358 15.690 -3.497) 16.079 21.040 ( -0.190 19.974 -3.909) 20.354 21.482 ( 2.256 -6.651 -5.495) 8.918 21.622 ( 1.012 4.849 -1.796) 5.269 21.643 ( -4.178 -6.672 -5.222) 9.446 21.710 ( -2.512 3.514 -5.926) 7.333 21.796 ( 2.190 -1.197 -8.663) 9.016 21.823 ( 1.443 -3.662 -4.381) 5.890 22.245 ( 1.568 2.589 6.516) 7.185 22.360 ( -2.508 4.850 5.892) 8.033 22.421 ( 3.427 -5.355 8.913) 10.948 22.670 ( -5.455 -10.916 14.098) 18.646 ======================= Grid point 62 (27/90) ======================= q-point: (-0.50 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( -15.564 20.125 11.583) 27.954 2.484 ( 15.564 20.125 11.583) 27.954 2.828 ( -12.044 23.849 11.259) 28.993 2.828 ( 12.044 23.849 11.259) 28.993 3.231 ( -4.376 -14.843 2.200) 15.630 3.231 ( 4.376 -14.843 2.200) 15.630 3.723 ( -5.397 -4.084 1.594) 6.953 3.723 ( 5.397 -4.084 1.594) 6.953 4.253 ( -0.669 2.358 7.625) 8.010 4.253 ( 0.669 2.358 7.625) 8.010 4.858 ( -10.049 -7.651 3.024) 12.987 4.858 ( 10.049 -7.651 3.024) 12.987 5.300 ( -7.415 6.518 0.216) 9.875 5.300 ( 7.415 6.518 0.216) 9.875 5.484 ( -8.357 -0.652 -6.993) 10.916 5.484 ( 8.357 -0.652 -6.993) 10.916 6.089 ( -2.174 6.250 -3.640) 7.552 6.089 ( 2.174 6.250 -3.640) 7.552 6.356 ( -3.575 -2.405 -3.806) 5.749 6.356 ( 3.575 -2.405 -3.806) 5.749 6.562 ( -4.375 1.232 1.629) 4.829 6.562 ( 4.375 1.232 1.629) 4.829 6.788 ( -3.771 -2.212 -0.755) 4.436 6.788 ( 3.771 -2.212 -0.755) 4.436 7.411 ( -6.692 7.275 -3.186) 10.385 7.411 ( 6.692 7.275 -3.186) 10.385 7.523 ( -3.304 7.931 -5.385) 10.140 7.523 ( 3.304 7.931 -5.385) 10.140 7.722 ( -0.163 7.666 0.335) 7.675 7.722 ( 0.163 7.666 0.335) 7.675 8.149 ( -8.321 -3.345 0.807) 9.004 8.149 ( 8.321 -3.345 0.807) 9.004 8.491 ( -8.007 -2.244 -0.599) 8.337 8.491 ( 8.007 -2.244 -0.599) 8.337 8.911 ( -2.871 -20.969 -5.833) 21.954 8.911 ( 2.871 -20.969 -5.833) 21.954 9.198 ( -1.427 11.090 -4.029) 11.885 9.198 ( 1.427 11.090 -4.029) 11.885 9.280 ( -0.930 8.236 -0.726) 8.320 9.280 ( 0.930 8.236 -0.726) 8.320 9.890 ( -0.172 -9.344 -6.873) 11.601 9.890 ( 0.172 -9.344 -6.873) 11.601 9.979 ( -2.710 -10.540 -8.616) 13.881 9.979 ( 2.710 -10.540 -8.616) 13.881 10.685 ( -7.378 7.539 0.308) 10.553 10.685 ( 7.378 7.539 0.308) 10.553 10.873 ( -4.882 -0.453 -0.420) 4.921 10.873 ( 4.882 -0.453 -0.420) 4.921 11.260 ( -2.255 1.806 11.910) 12.255 11.260 ( 2.255 1.806 11.910) 12.255 11.426 ( -6.031 -4.988 2.690) 8.276 11.426 ( 6.031 -4.988 2.690) 8.276 11.680 ( -6.088 8.045 2.279) 10.343 11.680 ( 6.088 8.045 2.279) 10.343 12.018 ( -6.519 -7.352 0.044) 9.826 12.018 ( 6.519 -7.352 0.044) 9.826 12.671 ( -7.898 -3.355 -2.746) 9.010 12.671 ( 7.898 -3.355 -2.746) 9.010 12.793 ( -3.357 -6.733 -1.518) 7.675 12.793 ( 3.357 -6.733 -1.518) 7.675 13.436 ( -3.738 10.166 -8.989) 14.076 13.436 ( 3.738 10.166 -8.989) 14.076 13.797 ( -4.505 -7.474 -1.171) 8.805 13.797 ( 4.505 -7.474 -1.171) 8.805 14.498 ( -1.053 6.726 2.613) 7.293 14.498 ( 1.053 6.726 2.613) 7.293 14.689 ( -3.337 -2.891 6.973) 8.253 14.689 ( 3.337 -2.891 6.973) 8.253 19.161 ( -1.916 4.662 2.409) 5.586 19.161 ( 1.916 4.662 2.409) 5.586 19.431 ( -2.147 -9.397 1.218) 9.716 19.431 ( 2.147 -9.397 1.218) 9.716 21.034 ( -0.382 17.941 -3.817) 18.346 21.034 ( 0.382 17.941 -3.817) 18.346 21.551 ( -3.757 -6.661 -5.306) 9.308 21.551 ( 3.757 -6.661 -5.306) 9.308 21.658 ( -2.025 4.883 -3.226) 6.193 21.658 ( 2.025 4.883 -3.226) 6.193 21.831 ( -0.754 -2.853 -7.212) 7.792 21.831 ( 0.754 -2.853 -7.212) 7.792 22.295 ( -2.851 3.566 6.588) 8.015 22.295 ( 2.851 3.566 6.588) 8.015 22.532 ( -6.174 -7.772 11.520) 15.207 22.532 ( 6.174 -7.772 11.520) 15.207 ======================= Grid point 65 (28/90) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 0.000 -25.521 3.765) 25.798 2.633 ( 0.000 25.521 3.765) 25.798 3.029 ( 0.000 -26.114 5.701) 26.729 3.029 ( 0.000 26.114 5.701) 26.729 3.263 ( 0.000 -0.334 8.560) 8.566 3.263 ( 0.000 0.334 8.560) 8.566 3.563 ( 0.000 -6.915 17.720) 19.021 3.563 ( 0.000 6.915 17.720) 19.021 4.622 ( 0.000 -12.325 -6.334) 13.858 4.622 ( 0.000 12.325 -6.334) 13.858 4.811 ( 0.000 -24.591 5.512) 25.201 4.811 ( 0.000 24.591 5.512) 25.201 5.065 ( 0.000 -0.049 -0.477) 0.479 5.065 ( 0.000 0.049 -0.477) 0.479 5.596 ( 0.000 -3.803 -6.475) 7.509 5.596 ( 0.000 3.803 -6.475) 7.509 6.055 ( 0.000 -8.555 -6.151) 10.536 6.055 ( 0.000 8.555 -6.151) 10.536 6.173 ( 0.000 -5.675 -4.568) 7.285 6.173 ( 0.000 5.675 -4.568) 7.285 6.590 ( 0.000 -0.911 1.530) 1.781 6.590 ( 0.000 0.911 1.530) 1.781 6.850 ( 0.000 -9.329 3.967) 10.137 6.850 ( 0.000 9.329 3.967) 10.137 7.382 ( 0.000 -5.712 0.057) 5.712 7.382 ( 0.000 5.712 0.057) 5.712 7.648 ( 0.000 -1.345 -1.006) 1.680 7.648 ( 0.000 1.345 -1.006) 1.680 7.931 ( 0.000 -4.780 -0.524) 4.809 7.931 ( 0.000 4.780 -0.524) 4.809 8.196 ( 0.000 -20.794 -6.000) 21.643 8.196 ( 0.000 20.794 -6.000) 21.643 8.282 ( 0.000 -10.470 -13.720) 17.259 8.282 ( 0.000 10.470 -13.720) 17.259 8.765 ( 0.000 -3.170 9.446) 9.964 8.765 ( 0.000 3.170 9.446) 9.964 9.311 ( 0.000 -0.403 -2.728) 2.757 9.311 ( 0.000 0.403 -2.728) 2.757 9.389 ( 0.000 -5.305 -6.871) 8.681 9.389 ( 0.000 5.305 -6.871) 8.681 9.766 ( 0.000 -2.693 -6.726) 7.245 9.766 ( 0.000 2.693 -6.726) 7.245 9.859 ( 0.000 -5.819 -5.976) 8.341 9.859 ( 0.000 5.819 -5.976) 8.341 10.642 ( 0.000 -4.822 -0.983) 4.922 10.642 ( 0.000 4.822 -0.983) 4.922 11.079 ( 0.000 -4.326 7.488) 8.647 11.079 ( 0.000 4.326 7.488) 8.647 11.205 ( 0.000 -2.111 7.748) 8.030 11.205 ( 0.000 2.111 7.748) 8.030 11.471 ( 0.000 -5.820 3.174) 6.629 11.471 ( 0.000 5.820 3.174) 6.629 11.585 ( 0.000 -1.938 -6.405) 6.692 11.585 ( 0.000 1.938 -6.405) 6.692 12.070 ( 0.000 -8.283 9.714) 12.766 12.070 ( 0.000 8.283 9.714) 12.766 12.452 ( 0.000 -6.668 -7.442) 9.993 12.452 ( 0.000 6.668 -7.442) 9.993 12.846 ( 0.000 -4.186 0.927) 4.287 12.846 ( 0.000 4.186 0.927) 4.287 13.494 ( 0.000 -6.859 -7.731) 10.336 13.494 ( 0.000 6.859 -7.731) 10.336 13.762 ( 0.000 -9.755 -4.201) 10.621 13.762 ( 0.000 9.755 -4.201) 10.621 14.559 ( 0.000 -1.417 2.924) 3.249 14.559 ( 0.000 1.417 2.924) 3.249 14.685 ( 0.000 -3.879 5.633) 6.839 14.685 ( 0.000 3.879 5.633) 6.839 19.199 ( 0.000 -5.813 0.361) 5.824 19.199 ( 0.000 5.813 0.361) 5.824 19.322 ( 0.000 -6.274 3.473) 7.171 19.322 ( 0.000 6.274 3.473) 7.171 21.277 ( 0.000 -11.331 -3.716) 11.925 21.277 ( 0.000 11.331 -3.716) 11.925 21.429 ( 0.000 -17.965 -5.716) 18.852 21.429 ( 0.000 17.965 -5.716) 18.852 21.691 ( 0.000 -3.513 -1.287) 3.742 21.691 ( 0.000 3.513 -1.287) 3.742 21.793 ( 0.000 -0.189 -6.395) 6.398 21.793 ( 0.000 0.189 -6.395) 6.398 22.295 ( 0.000 -4.226 6.192) 7.496 22.295 ( 0.000 4.226 6.192) 7.496 22.530 ( 0.000 -8.679 9.453) 12.833 22.530 ( 0.000 8.679 9.453) 12.833 ======================= Grid point 67 (29/90) ======================= q-point: ( 0.25 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( 5.351 -23.682 5.049) 24.799 2.690 ( 5.351 23.682 5.049) 24.799 3.049 ( -2.323 -18.226 9.573) 20.718 3.049 ( -2.323 18.226 9.573) 20.718 3.207 ( 0.015 -17.180 3.592) 17.551 3.207 ( 0.015 17.180 3.592) 17.551 3.520 ( -4.879 -16.786 12.757) 21.640 3.520 ( -4.879 16.786 12.757) 21.640 4.535 ( -3.958 -14.777 -2.221) 15.458 4.535 ( -3.958 14.777 -2.221) 15.458 4.724 ( -7.769 -22.201 5.525) 24.162 4.724 ( -7.769 22.201 5.525) 24.162 5.174 ( 10.149 -5.141 -1.369) 11.459 5.174 ( 10.149 5.141 -1.369) 11.459 5.603 ( -2.146 -3.063 -4.972) 6.221 5.603 ( -2.146 3.063 -4.972) 6.221 6.160 ( 6.665 -7.705 -5.104) 11.395 6.160 ( 6.665 7.705 -5.104) 11.395 6.191 ( 2.132 -3.045 -4.666) 5.966 6.191 ( 2.132 3.045 -4.666) 5.966 6.606 ( 1.422 -1.697 2.057) 3.022 6.606 ( 1.422 1.697 2.057) 3.022 6.783 ( -5.112 -8.231 2.968) 10.134 6.783 ( -5.112 8.231 2.968) 10.134 7.423 ( 3.716 -6.053 -1.572) 7.275 7.423 ( 3.716 6.053 -1.572) 7.275 7.627 ( -2.248 -1.715 -2.599) 3.840 7.627 ( -2.248 1.715 -2.599) 3.840 7.945 ( 1.235 -9.466 -1.323) 9.637 7.945 ( 1.235 9.466 -1.323) 9.637 8.103 ( -5.392 -17.099 -5.103) 18.641 8.103 ( -5.392 17.099 -5.103) 18.641 8.386 ( 6.619 -11.700 -8.894) 16.118 8.386 ( 6.619 11.700 -8.894) 16.118 8.701 ( -5.400 -4.669 6.407) 9.592 8.701 ( -5.400 4.669 6.407) 9.592 9.330 ( 1.473 -0.700 -2.986) 3.402 9.330 ( 1.473 0.700 -2.986) 3.402 9.384 ( -0.492 -4.170 -5.970) 7.299 9.384 ( -0.492 4.169 -5.970) 7.299 9.780 ( 1.238 -3.133 -6.396) 7.229 9.780 ( 1.238 3.133 -6.396) 7.229 9.847 ( -1.065 -5.112 -5.997) 7.952 9.847 ( -1.065 5.112 -5.997) 7.952 10.689 ( 4.157 -5.011 -1.329) 6.645 10.689 ( 4.157 5.011 -1.329) 6.645 10.987 ( -6.971 -3.236 2.774) 8.171 10.987 ( -6.971 3.236 2.774) 8.171 11.239 ( 2.890 -2.708 8.104) 9.020 11.239 ( 2.890 2.708 8.104) 9.020 11.411 ( -3.722 -7.725 6.468) 10.741 11.411 ( -3.722 7.725 6.468) 10.741 11.691 ( 7.002 -8.677 -4.134) 11.891 11.691 ( 7.002 8.677 -4.134) 11.891 11.998 ( -5.544 -8.505 5.783) 11.684 11.998 ( -5.544 8.505 5.783) 11.684 12.533 ( 6.098 -5.572 -4.545) 9.428 12.533 ( 6.098 5.572 -4.545) 9.428 12.800 ( -3.983 -1.601 -0.027) 4.292 12.800 ( -3.983 1.601 -0.027) 4.292 13.535 ( 3.447 -8.100 -6.587) 10.995 13.535 ( 3.447 8.100 -6.587) 10.995 13.724 ( -3.249 -9.526 -4.301) 10.946 13.724 ( -3.249 9.526 -4.301) 10.946 14.573 ( 1.285 -2.412 3.198) 4.207 14.573 ( 1.285 2.412 3.198) 4.207 14.662 ( -1.881 -4.382 5.127) 7.002 14.662 ( -1.881 4.382 5.127) 7.002 19.224 ( 1.972 -6.025 0.785) 6.388 19.224 ( 1.972 6.025 0.785) 6.388 19.310 ( -1.104 -6.298 2.998) 7.062 19.310 ( -1.104 6.298 2.998) 7.062 21.296 ( 1.693 -11.865 -3.838) 12.585 21.296 ( 1.693 11.865 -3.838) 12.585 21.402 ( -2.169 -16.131 -5.025) 17.034 21.402 ( -2.169 16.131 -5.025) 17.034 21.715 ( 1.804 -4.359 -2.703) 5.437 21.715 ( 1.804 4.359 -2.703) 5.437 21.785 ( -0.806 -2.367 -6.074) 6.568 21.785 ( -0.806 2.367 -6.074) 6.568 22.319 ( 2.229 -4.724 6.985) 8.722 22.319 ( 2.229 4.724 6.985) 8.722 22.485 ( -3.623 -7.910 9.313) 12.744 22.485 ( -3.623 7.910 9.313) 12.744 ======================= Grid point 69 (30/90) ======================= q-point: (-0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( -9.693 -18.416 8.222) 22.376 2.870 ( 9.150 -18.347 8.222) 22.089 2.870 ( -9.150 18.347 8.222) 22.089 2.870 ( 9.693 18.416 8.222) 22.376 3.348 ( -8.843 -24.933 4.470) 26.830 3.348 ( 8.553 -24.908 4.470) 26.713 3.348 ( -8.553 24.908 4.470) 26.713 3.348 ( 8.843 24.933 4.470) 26.830 4.553 ( -5.303 -19.297 3.840) 20.378 4.553 ( 5.134 -19.286 3.840) 20.324 4.553 ( -5.134 19.286 3.840) 20.324 4.553 ( 5.303 19.297 3.840) 20.378 5.441 ( -11.379 -5.111 -2.352) 12.694 5.441 ( -5.489 1.132 -2.352) 6.078 5.441 ( 5.489 -1.132 -2.352) 6.078 5.441 ( 11.379 5.111 -2.352) 12.694 6.239 ( -0.526 -8.415 -4.466) 9.541 6.239 ( 0.503 -8.415 -4.466) 9.539 6.239 ( -0.503 8.415 -4.466) 9.539 6.239 ( 0.526 8.415 -4.466) 9.541 6.668 ( -3.471 -7.701 2.175) 8.723 6.668 ( 2.077 -7.575 2.175) 8.150 6.668 ( -2.077 7.575 2.175) 8.150 6.668 ( 3.471 7.701 2.175) 8.723 7.536 ( -5.542 -4.618 -4.005) 8.251 7.536 ( 5.478 -4.599 -4.005) 8.197 7.536 ( -5.478 4.599 -4.005) 8.197 7.536 ( 5.542 4.618 -4.005) 8.251 7.997 ( -3.636 -14.220 -2.291) 14.855 7.997 ( 3.609 -14.218 -2.291) 14.847 7.997 ( -3.609 14.218 -2.291) 14.847 7.997 ( 3.636 14.220 -2.291) 14.855 8.549 ( -6.565 -11.449 -0.946) 13.232 8.549 ( 4.283 -11.176 -0.946) 12.006 8.549 ( -4.283 11.176 -0.946) 12.006 8.549 ( 6.565 11.449 -0.946) 13.232 9.364 ( -1.020 -3.250 -4.193) 5.402 9.364 ( 0.721 -3.230 -4.193) 5.342 9.364 ( -0.721 3.230 -4.193) 5.342 9.364 ( 1.020 3.250 -4.193) 5.402 9.815 ( -1.677 -3.905 -6.053) 7.396 9.815 ( 1.673 -3.905 -6.053) 7.395 9.815 ( -1.673 3.905 -6.053) 7.395 9.815 ( 1.677 3.905 -6.053) 7.396 10.820 ( -6.890 -5.133 -0.980) 8.647 10.820 ( 2.482 -4.003 -0.980) 4.811 10.820 ( -2.482 4.003 -0.980) 4.811 10.820 ( 6.890 5.133 -0.980) 8.647 11.321 ( -4.150 -4.645 8.396) 10.454 11.321 ( 4.099 -4.634 8.396) 10.429 11.321 ( -4.099 4.634 8.396) 10.429 11.321 ( 4.150 4.645 8.396) 10.454 11.853 ( -7.026 -9.017 0.452) 11.439 11.853 ( 6.613 -8.938 0.452) 11.128 11.853 ( -6.613 8.938 0.452) 11.128 11.853 ( 7.026 9.017 0.452) 11.439 12.680 ( -5.880 -3.680 -1.826) 7.173 12.680 ( -0.938 -2.263 -1.826) 3.055 12.680 ( 0.938 2.263 -1.826) 3.055 12.680 ( 5.880 3.680 -1.826) 7.173 13.631 ( -4.657 -9.363 -4.977) 11.581 13.631 ( 4.580 -9.353 -4.977) 11.542 13.631 ( -4.580 9.353 -4.977) 11.542 13.631 ( 4.657 9.363 -4.977) 11.581 14.613 ( -1.932 -4.861 4.047) 6.614 14.613 ( 1.624 -4.833 4.047) 6.509 14.613 ( -1.624 4.833 4.047) 6.509 14.613 ( 1.932 4.861 4.047) 6.614 19.273 ( -2.012 -6.788 1.866) 7.322 19.273 ( 1.909 -6.780 1.866) 7.287 19.273 ( -1.909 6.780 1.866) 7.287 19.273 ( 2.012 6.788 1.866) 7.322 21.346 ( -2.589 -13.509 -4.225) 14.389 21.346 ( 2.589 -13.509 -4.225) 14.389 21.346 ( -2.589 13.509 -4.225) 14.389 21.346 ( 2.589 13.509 -4.225) 14.389 21.757 ( -1.606 -4.534 -4.870) 6.845 21.757 ( 1.504 -4.525 -4.870) 6.816 21.757 ( -1.504 4.525 -4.870) 6.816 21.757 ( 1.606 4.534 -4.870) 6.845 22.393 ( -4.130 -6.202 8.487) 11.294 22.393 ( 4.129 -6.202 8.487) 11.293 22.393 ( -4.129 6.202 8.487) 11.293 22.393 ( 4.130 6.202 8.487) 11.294 ======================= Grid point 90 (31/90) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 0.000 0.000 36.569) 36.569 1.541 ( 0.000 0.000 37.275) 37.275 2.545 ( 0.000 0.000 13.858) 13.858 3.012 ( 0.000 0.000 66.703) 66.703 3.286 ( 0.000 0.000 -5.126) 5.126 3.397 ( 0.000 0.000 6.736) 6.736 3.585 ( 0.000 0.000 2.681) 2.681 3.739 ( 0.000 0.000 -3.822) 3.822 4.140 ( 0.000 0.000 18.060) 18.060 4.247 ( 0.000 0.000 -13.334) 13.334 5.023 ( 0.000 0.000 12.338) 12.338 5.091 ( 0.000 0.000 -11.543) 11.543 5.131 ( 0.000 0.000 -5.177) 5.177 5.357 ( 0.000 0.000 -8.194) 8.194 5.543 ( 0.000 0.000 -11.872) 11.872 5.685 ( 0.000 0.000 1.370) 1.370 5.710 ( 0.000 0.000 -9.102) 9.102 5.723 ( 0.000 0.000 -11.941) 11.941 6.231 ( 0.000 0.000 -4.508) 4.508 6.295 ( 0.000 0.000 2.360) 2.360 6.529 ( 0.000 0.000 -8.064) 8.064 6.690 ( 0.000 0.000 -11.053) 11.053 6.799 ( 0.000 0.000 0.732) 0.732 7.038 ( 0.000 0.000 0.335) 0.335 7.067 ( 0.000 0.000 0.196) 0.196 7.092 ( 0.000 0.000 -3.722) 3.722 7.124 ( 0.000 0.000 6.343) 6.343 7.274 ( 0.000 0.000 4.080) 4.080 7.333 ( 0.000 0.000 -4.201) 4.201 7.717 ( 0.000 0.000 1.176) 1.176 7.878 ( 0.000 0.000 -15.119) 15.119 8.318 ( 0.000 0.000 -2.037) 2.037 8.372 ( 0.000 0.000 -1.402) 1.402 8.504 ( 0.000 0.000 11.760) 11.760 8.572 ( 0.000 0.000 -2.870) 2.870 8.604 ( 0.000 0.000 2.236) 2.236 8.785 ( 0.000 0.000 9.633) 9.633 8.843 ( 0.000 0.000 -6.634) 6.634 9.448 ( 0.000 0.000 -10.523) 10.523 9.851 ( 0.000 0.000 -14.562) 14.562 9.904 ( 0.000 0.000 -2.813) 2.813 10.023 ( 0.000 0.000 -11.401) 11.401 10.091 ( 0.000 0.000 -10.180) 10.180 10.423 ( 0.000 0.000 -12.180) 12.180 10.451 ( 0.000 0.000 -4.827) 4.827 10.580 ( 0.000 0.000 -7.161) 7.161 10.881 ( 0.000 0.000 1.835) 1.835 11.005 ( 0.000 0.000 2.308) 2.308 11.077 ( 0.000 0.000 -3.163) 3.163 11.143 ( 0.000 0.000 -12.009) 12.009 11.456 ( 0.000 0.000 11.798) 11.798 11.633 ( 0.000 0.000 14.958) 14.958 11.697 ( 0.000 0.000 -7.691) 7.691 11.724 ( 0.000 0.000 15.034) 15.034 12.077 ( 0.000 0.000 -5.642) 5.642 12.165 ( 0.000 0.000 -0.644) 0.644 12.529 ( 0.000 0.000 -15.414) 15.414 12.537 ( 0.000 0.000 6.766) 6.766 12.561 ( 0.000 0.000 8.332) 8.332 13.064 ( 0.000 0.000 0.195) 0.195 13.300 ( 0.000 0.000 -4.598) 4.598 13.581 ( 0.000 0.000 -8.330) 8.330 13.850 ( 0.000 0.000 -3.005) 3.005 14.056 ( 0.000 0.000 -5.968) 5.968 14.245 ( 0.000 0.000 5.494) 5.494 14.393 ( 0.000 0.000 18.375) 18.375 14.603 ( 0.000 0.000 3.844) 3.844 16.209 ( 0.000 0.000 -5.158) 5.158 19.042 ( 0.000 0.000 4.177) 4.177 19.209 ( 0.000 0.000 7.386) 7.386 19.867 ( 0.000 0.000 -4.462) 4.462 19.992 ( 0.000 0.000 0.106) 0.106 20.048 ( 0.000 0.000 1.427) 1.427 20.134 ( 0.000 0.000 -1.809) 1.809 20.208 ( 0.000 0.000 -0.311) 0.311 21.098 ( 0.000 0.000 -15.248) 15.248 21.657 ( 0.000 0.000 -0.634) 0.634 21.761 ( 0.000 0.000 1.979) 1.979 21.834 ( 0.000 0.000 -4.936) 4.936 21.874 ( 0.000 0.000 0.384) 0.384 22.327 ( 0.000 0.000 6.862) 6.862 22.399 ( 0.000 0.000 7.785) 7.785 22.801 ( 0.000 0.000 13.523) 13.523 23.890 ( 0.000 0.000 -5.172) 5.172 ======================= Grid point 91 (32/90) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 13.167 0.000 32.078) 34.675 1.790 ( 19.573 0.000 30.797) 36.491 2.395 ( -12.536 0.000 17.106) 21.208 2.826 ( -22.634 0.000 11.234) 25.268 3.242 ( 16.562 0.000 59.243) 61.514 3.666 ( 8.176 0.000 -6.642) 10.534 3.682 ( 8.286 0.000 -0.044) 8.286 3.703 ( -2.522 0.000 -4.041) 4.764 4.153 ( -8.209 0.000 -10.397) 13.247 4.169 ( -0.541 0.000 24.399) 24.405 4.914 ( -5.118 0.000 14.044) 14.948 5.064 ( -0.469 0.000 -9.922) 9.933 5.124 ( -1.237 0.000 -11.259) 11.327 5.377 ( -4.263 0.000 -5.569) 7.013 5.594 ( -4.232 0.000 -11.165) 11.940 5.686 ( 10.774 0.000 -11.462) 15.731 5.703 ( 0.173 0.000 -1.345) 1.356 5.847 ( 10.167 0.000 -10.221) 14.417 6.217 ( -6.622 0.000 -0.217) 6.625 6.243 ( 2.095 0.000 -4.793) 5.230 6.415 ( -4.459 0.000 -5.639) 7.188 6.520 ( -12.917 0.000 -6.974) 14.680 6.752 ( -3.162 0.000 -0.848) 3.274 6.939 ( -9.443 0.000 -6.863) 11.674 7.054 ( 0.269 0.000 2.525) 2.539 7.074 ( -2.429 0.000 8.248) 8.598 7.260 ( 7.557 0.000 -3.052) 8.150 7.326 ( 1.169 0.000 -2.704) 2.946 7.381 ( 7.272 0.000 -0.204) 7.275 7.669 ( -4.146 0.000 -0.596) 4.189 8.048 ( 12.120 0.000 -13.272) 17.973 8.348 ( 2.465 0.000 -0.866) 2.613 8.368 ( -1.054 0.000 -1.981) 2.244 8.496 ( -3.832 0.000 0.107) 3.834 8.616 ( 6.635 0.000 5.509) 8.624 8.680 ( 3.770 0.000 -1.304) 3.989 8.771 ( -1.342 0.000 9.117) 9.216 8.817 ( -2.140 0.000 -5.533) 5.932 9.547 ( 7.658 0.000 -9.958) 12.562 9.850 ( -4.706 0.000 -4.151) 6.275 9.926 ( 5.748 0.000 -14.928) 15.997 10.078 ( 5.312 0.000 -10.452) 11.724 10.091 ( -0.340 0.000 -11.152) 11.157 10.395 ( -4.033 0.000 -12.275) 12.921 10.444 ( -0.257 0.000 -4.696) 4.703 10.537 ( -3.360 0.000 -7.677) 8.380 10.912 ( 2.441 0.000 1.737) 2.996 11.044 ( 3.271 0.000 2.935) 4.394 11.046 ( -2.556 0.000 -1.757) 3.101 11.226 ( 5.002 0.000 -13.904) 14.777 11.350 ( -4.020 0.000 9.964) 10.744 11.644 ( 1.016 0.000 15.001) 15.035 11.709 ( -1.229 0.000 15.025) 15.076 11.710 ( -6.165 0.000 -9.541) 11.359 11.976 ( 5.778 0.000 -1.954) 6.100 12.433 ( -2.707 0.000 -15.768) 15.999 12.466 ( 10.447 0.000 -2.898) 10.841 12.542 ( 0.357 0.000 7.018) 7.027 12.558 ( -0.228 0.000 8.123) 8.126 13.108 ( -8.515 0.000 -1.887) 8.722 13.159 ( 2.630 0.000 -3.596) 4.455 13.551 ( -5.463 0.000 -5.636) 7.849 13.882 ( 2.693 0.000 -3.523) 4.434 14.028 ( -2.458 0.000 -5.605) 6.120 14.209 ( 1.469 0.000 7.605) 7.745 14.413 ( -2.455 0.000 6.647) 7.086 14.764 ( 14.324 0.000 12.816) 19.221 15.791 ( -28.946 0.000 9.458) 30.452 19.064 ( 2.043 0.000 4.629) 5.060 19.185 ( -2.112 0.000 6.992) 7.304 19.997 ( 0.487 0.000 0.172) 0.516 20.035 ( -0.975 0.000 0.903) 1.329 20.150 ( 1.208 0.000 -1.262) 1.747 20.200 ( -0.703 0.000 -0.405) 0.811 20.238 ( 25.291 0.000 -16.776) 30.349 21.017 ( -7.559 0.000 -17.422) 18.991 21.673 ( 1.464 0.000 -1.101) 1.832 21.763 ( -0.380 0.000 -0.768) 0.857 21.810 ( -1.181 0.000 -1.267) 1.733 21.857 ( -1.406 0.000 0.791) 1.614 22.342 ( 1.203 0.000 7.144) 7.245 22.394 ( -0.522 0.000 7.658) 7.675 22.899 ( 8.784 0.000 13.238) 15.887 23.625 ( -19.579 0.000 4.158) 20.016 ======================= Grid point 92 (33/90) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -17.525 0.000 23.954) 29.680 2.043 ( 17.525 0.000 23.954) 29.680 2.296 ( -24.133 0.000 21.092) 32.051 2.296 ( 24.133 0.000 21.092) 32.051 3.597 ( -8.695 0.000 10.457) 13.600 3.597 ( 8.695 0.000 10.457) 13.600 3.910 ( -17.784 0.000 28.192) 33.332 3.910 ( 17.784 0.000 28.192) 33.332 3.917 ( -11.722 0.000 -5.022) 12.752 3.917 ( 11.722 0.000 -5.022) 12.752 5.062 ( -16.380 0.000 -0.420) 16.385 5.062 ( 16.380 0.000 -0.420) 16.385 5.085 ( -1.856 0.000 -12.164) 12.304 5.085 ( 1.856 0.000 -12.164) 12.304 5.655 ( -4.395 0.000 -5.109) 6.739 5.655 ( 4.395 0.000 -5.109) 6.739 5.942 ( -9.617 0.000 -12.394) 15.688 5.942 ( 9.617 0.000 -12.394) 15.688 6.203 ( -12.916 0.000 -1.286) 12.980 6.203 ( 12.916 0.000 -1.286) 12.980 6.340 ( -4.604 0.000 -5.849) 7.443 6.340 ( 4.604 0.000 -5.849) 7.443 6.745 ( -4.685 0.000 -5.417) 7.162 6.745 ( 4.685 0.000 -5.417) 7.162 7.049 ( -0.175 0.000 6.816) 6.818 7.049 ( 0.175 0.000 6.816) 6.818 7.349 ( -0.626 0.000 -3.355) 3.413 7.349 ( 0.626 0.000 -3.355) 3.413 7.544 ( -6.784 0.000 -2.233) 7.142 7.544 ( 6.784 0.000 -2.233) 7.142 8.284 ( -7.329 0.000 -7.989) 10.841 8.284 ( 7.329 0.000 -7.989) 10.841 8.415 ( -3.361 0.000 0.332) 3.377 8.415 ( 3.361 0.000 0.332) 3.377 8.722 ( -3.140 0.000 6.263) 7.007 8.722 ( 3.140 0.000 6.263) 7.007 8.757 ( -3.114 0.000 -3.414) 4.621 8.757 ( 3.114 0.000 -3.414) 4.621 9.720 ( -6.938 0.000 -7.695) 10.361 9.720 ( 6.938 0.000 -7.695) 10.361 10.048 ( -4.038 0.000 -13.776) 14.356 10.048 ( 4.038 0.000 -13.776) 14.356 10.240 ( -8.469 0.000 -9.820) 12.968 10.240 ( 8.469 0.000 -9.820) 12.968 10.463 ( -2.390 0.000 -6.267) 6.707 10.463 ( 2.390 0.000 -6.267) 6.707 10.977 ( -3.251 0.000 0.642) 3.314 10.977 ( 3.251 0.000 0.642) 3.314 11.148 ( -5.922 0.000 3.137) 6.702 11.148 ( 5.922 0.000 3.137) 6.702 11.501 ( -10.562 0.000 -8.873) 13.794 11.501 ( 10.562 0.000 -8.873) 13.794 11.675 ( -1.622 0.000 15.021) 15.109 11.675 ( 1.622 0.000 15.021) 15.109 12.212 ( -11.930 0.000 -9.275) 15.112 12.212 ( 11.930 0.000 -9.275) 15.112 12.551 ( -0.410 0.000 7.592) 7.603 12.551 ( 0.410 0.000 7.592) 7.603 12.800 ( -14.964 0.000 -5.199) 15.842 12.800 ( 14.964 0.000 -5.199) 15.842 13.353 ( -10.411 0.000 -2.097) 10.620 13.353 ( 10.411 0.000 -2.097) 10.620 13.956 ( -3.626 0.000 -4.640) 5.889 13.956 ( 3.626 0.000 -4.640) 5.889 14.309 ( -5.835 0.000 5.151) 7.783 14.309 ( 5.835 0.000 5.151) 7.783 15.187 ( -23.337 0.000 16.368) 28.505 15.187 ( 23.337 0.000 16.368) 28.505 19.125 ( -3.039 0.000 5.815) 6.561 19.125 ( 3.039 0.000 5.815) 6.561 20.013 ( -0.895 0.000 0.404) 0.981 20.013 ( 0.895 0.000 0.404) 0.981 20.178 ( -1.212 0.000 -0.701) 1.400 20.178 ( 1.212 0.000 -0.701) 1.400 20.740 ( -17.722 0.000 -21.192) 27.625 20.740 ( 17.722 0.000 -21.192) 27.625 21.720 ( -2.582 0.000 -2.645) 3.696 21.720 ( 2.582 0.000 -2.645) 3.696 21.821 ( -1.544 0.000 1.921) 2.465 21.821 ( 1.544 0.000 1.921) 2.465 22.372 ( -1.356 0.000 7.492) 7.614 22.372 ( 1.356 0.000 7.492) 7.614 23.191 ( -17.169 0.000 11.680) 20.765 23.191 ( 17.169 0.000 11.680) 20.765 ======================= Grid point 95 (34/90) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 0.000 9.531 32.888) 34.241 1.816 ( 0.000 25.013 30.837) 39.706 2.735 ( 0.000 17.461 14.568) 22.740 3.120 ( 0.000 9.521 56.799) 57.591 3.237 ( 0.000 1.879 -3.908) 4.336 3.410 ( 0.000 1.635 6.958) 7.147 3.589 ( 0.000 -4.488 0.646) 4.535 3.907 ( 0.000 15.956 2.179) 16.104 3.973 ( 0.000 -9.872 7.113) 12.167 4.446 ( 0.000 12.470 -2.021) 12.633 4.899 ( 0.000 -10.175 8.426) 13.211 5.084 ( 0.000 -5.963 0.231) 5.968 5.195 ( 0.000 8.132 -10.020) 12.904 5.340 ( 0.000 -2.641 -9.717) 10.070 5.496 ( 0.000 -2.242 -11.624) 11.839 5.610 ( 0.000 -1.525 -2.538) 2.961 5.758 ( 0.000 3.301 -4.429) 5.524 5.806 ( 0.000 5.183 -13.564) 14.521 6.166 ( 0.000 -10.258 1.632) 10.387 6.276 ( 0.000 2.035 -3.652) 4.181 6.506 ( 0.000 -2.376 -8.577) 8.900 6.726 ( 0.000 2.328 -5.654) 6.115 6.811 ( 0.000 -0.622 1.755) 1.862 6.956 ( 0.000 -9.867 -2.875) 10.277 7.056 ( 0.000 3.342 1.383) 3.617 7.104 ( 0.000 3.098 -2.629) 4.064 7.117 ( 0.000 4.479 -3.282) 5.553 7.380 ( 0.000 6.377 1.588) 6.571 7.529 ( 0.000 -9.618 -5.530) 11.095 7.538 ( 0.000 14.711 2.036) 14.852 7.993 ( 0.000 1.129 -6.272) 6.373 8.203 ( 0.000 -6.599 2.105) 6.926 8.378 ( 0.000 0.701 -0.998) 1.220 8.531 ( 0.000 1.408 -0.705) 1.575 8.652 ( 0.000 7.718 1.961) 7.963 8.667 ( 0.000 8.384 4.008) 9.293 8.895 ( 0.000 7.280 -3.180) 7.944 8.912 ( 0.000 6.615 0.072) 6.615 9.417 ( 0.000 -3.100 -7.938) 8.522 9.728 ( 0.000 -15.054 -5.582) 16.056 9.825 ( 0.000 -2.731 -14.176) 14.437 9.974 ( 0.000 -4.625 -10.946) 11.883 10.113 ( 0.000 -15.643 -6.711) 17.021 10.152 ( 0.000 2.623 -9.020) 9.394 10.492 ( 0.000 -7.186 -6.833) 9.916 10.735 ( 0.000 10.751 -9.345) 14.245 10.861 ( 0.000 0.557 1.356) 1.466 11.028 ( 0.000 -3.797 -1.276) 4.006 11.098 ( 0.000 8.059 0.331) 8.066 11.217 ( 0.000 6.026 -8.134) 10.123 11.447 ( 0.000 -1.030 10.479) 10.530 11.555 ( 0.000 -4.162 5.239) 6.691 11.643 ( 0.000 1.220 11.935) 11.997 11.939 ( 0.000 5.346 1.063) 5.450 12.086 ( 0.000 4.062 -4.645) 6.171 12.136 ( 0.000 -2.057 0.340) 2.085 12.500 ( 0.000 -2.818 8.534) 8.988 12.522 ( 0.000 -0.033 2.720) 2.720 12.653 ( 0.000 8.369 -13.838) 16.172 12.984 ( 0.000 -7.503 0.480) 7.518 13.287 ( 0.000 -0.981 -3.025) 3.180 13.468 ( 0.000 -10.327 -7.187) 12.582 13.807 ( 0.000 -3.758 -2.595) 4.567 14.111 ( 0.000 3.636 -7.032) 7.917 14.318 ( 0.000 6.218 4.247) 7.530 14.375 ( 0.000 -0.902 17.660) 17.683 14.626 ( 0.000 1.986 2.604) 3.275 15.847 ( 0.000 -28.837 6.687) 29.602 19.047 ( 0.000 0.781 3.802) 3.881 19.217 ( 0.000 0.816 7.218) 7.264 19.720 ( 0.000 -10.376 -2.417) 10.654 19.921 ( 0.000 -8.434 1.144) 8.511 20.273 ( 0.000 11.626 -2.231) 11.838 20.363 ( 0.000 13.140 -2.673) 13.409 20.398 ( 0.000 29.639 -12.553) 32.188 21.173 ( 0.000 6.766 -14.230) 15.757 21.664 ( 0.000 0.595 -0.986) 1.152 21.745 ( 0.000 -1.637 2.492) 2.981 21.816 ( 0.000 -1.928 -5.499) 5.827 21.867 ( 0.000 -0.732 0.573) 0.929 22.346 ( 0.000 1.961 6.955) 7.226 22.390 ( 0.000 -0.700 8.211) 8.241 22.771 ( 0.000 -2.960 13.219) 13.547 23.704 ( 0.000 -16.635 1.187) 16.678 ======================= Grid point 96 (35/90) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 14.477 9.502 30.194) 34.807 1.987 ( 14.103 20.170 25.960) 35.772 2.571 ( -13.339 15.664 17.980) 27.323 2.874 ( -21.306 4.881 8.334) 23.393 3.300 ( 14.542 7.641 48.125) 50.852 3.540 ( 4.495 -3.740 -1.453) 6.025 3.652 ( 1.206 -3.117 -2.861) 4.400 3.901 ( -3.067 -3.006 9.706) 10.614 4.043 ( 7.257 12.828 0.444) 14.745 4.451 ( 0.049 15.751 4.425) 16.360 4.807 ( -3.598 -8.804 10.441) 14.123 5.076 ( -1.618 -2.420 -2.248) 3.678 5.221 ( -4.630 5.724 -8.057) 10.914 5.260 ( 0.050 -5.267 -7.935) 9.524 5.562 ( -3.496 -2.991 -11.464) 12.353 5.609 ( -1.180 -4.690 -3.848) 6.180 5.741 ( 6.219 4.523 -6.720) 10.212 5.896 ( 4.940 1.887 -12.402) 13.483 6.090 ( -1.586 -9.279 0.652) 9.437 6.279 ( 2.076 1.824 -5.131) 5.827 6.411 ( -6.317 -1.137 -6.791) 9.344 6.578 ( -8.236 5.315 -7.660) 12.440 6.790 ( -3.492 0.243 2.572) 4.344 6.830 ( -7.851 -4.935 -2.184) 9.527 7.106 ( -0.249 4.652 0.930) 4.750 7.128 ( 1.399 3.860 2.089) 4.607 7.212 ( 5.533 -1.833 -6.221) 8.525 7.378 ( -4.793 3.842 -3.454) 7.047 7.503 ( 7.745 6.019 -0.487) 9.821 7.651 ( 2.601 2.474 2.526) 4.390 8.076 ( 7.608 -1.142 -9.827) 12.480 8.260 ( 4.569 -4.311 2.134) 6.634 8.378 ( -1.781 -0.697 -4.408) 4.805 8.476 ( -3.717 1.568 0.252) 4.042 8.693 ( 2.713 4.925 1.111) 5.731 8.733 ( 4.536 8.003 3.014) 9.680 8.870 ( -2.649 5.026 -5.031) 7.589 8.892 ( -0.991 8.175 2.567) 8.625 9.483 ( 5.167 -6.279 -8.043) 11.438 9.699 ( -3.056 -13.862 -5.260) 15.138 9.893 ( 5.326 -3.384 -14.422) 15.742 9.990 ( 2.189 -6.341 -11.690) 13.478 10.140 ( 0.791 -4.739 -10.389) 11.447 10.158 ( 0.713 -7.640 -8.399) 11.377 10.460 ( -1.620 -4.104 -5.171) 6.798 10.664 ( -6.572 7.935 -8.110) 13.112 10.886 ( 2.521 -2.537 1.222) 3.780 11.013 ( -1.544 -0.334 0.410) 1.632 11.130 ( 2.563 6.865 -0.032) 7.328 11.271 ( 3.056 4.340 -7.698) 9.351 11.365 ( -3.337 1.815 8.970) 9.741 11.556 ( -1.962 -5.250 5.645) 7.954 11.656 ( 1.344 0.924 11.283) 11.400 11.819 ( -7.288 1.081 0.678) 7.399 12.099 ( 6.907 8.420 0.615) 10.908 12.357 ( 6.378 -5.851 -5.035) 10.013 12.492 ( 0.767 -0.142 3.824) 3.903 12.553 ( 4.046 2.218 1.884) 4.984 12.609 ( -2.809 6.687 -9.167) 11.690 13.065 ( 4.361 -5.982 0.679) 7.433 13.110 ( -9.813 -2.657 -4.991) 11.325 13.444 ( -4.569 -8.934 -4.115) 10.845 13.868 ( 4.424 -2.129 -3.500) 6.030 14.064 ( -3.740 2.230 -5.144) 6.740 14.263 ( 0.467 5.028 7.133) 8.739 14.420 ( -1.582 1.143 6.877) 7.148 14.757 ( 11.956 -0.611 9.618) 15.357 15.569 ( -20.478 -18.786 12.264) 30.375 19.073 ( 2.189 0.942 4.324) 4.937 19.194 ( -2.005 0.951 6.849) 7.200 19.806 ( 5.050 -13.252 -1.904) 14.309 19.914 ( -0.700 -9.114 0.853) 9.181 20.276 ( 0.331 11.865 -2.207) 12.073 20.313 ( -1.442 13.415 -2.734) 13.767 20.600 ( 13.569 23.051 -17.032) 31.711 21.110 ( -5.787 8.196 -16.158) 19.019 21.678 ( 1.291 0.354 -1.290) 1.859 21.753 ( 0.243 -1.093 0.247) 1.147 21.792 ( -1.316 -1.925 -2.215) 3.217 21.849 ( -1.557 -0.775 0.555) 1.826 22.354 ( 0.749 1.202 7.452) 7.585 22.391 ( -0.219 -0.147 7.971) 7.975 22.861 ( 8.056 -3.721 12.936) 15.687 23.494 ( -15.986 -12.111 6.720) 21.152 ======================= Grid point 97 (36/90) ======================= q-point: (-0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( -17.414 12.571 23.162) 31.588 2.191 ( 17.414 12.571 23.162) 31.588 2.398 ( -19.596 10.802 18.871) 29.271 2.398 ( 19.596 10.802 18.871) 29.271 3.589 ( -3.079 -0.322 6.597) 7.288 3.589 ( 3.079 -0.322 6.597) 7.288 3.709 ( -11.504 -6.222 12.466) 18.068 3.709 ( 11.504 -6.222 12.466) 18.068 4.281 ( -13.323 21.228 11.617) 27.624 4.281 ( 13.323 21.228 11.617) 27.624 4.951 ( -12.463 -8.215 1.342) 14.987 4.951 ( 12.463 -8.215 1.342) 14.987 5.163 ( -3.463 3.224 -9.198) 10.344 5.163 ( 3.463 3.224 -9.198) 10.344 5.554 ( -3.751 -5.490 -7.147) 9.761 5.554 ( 3.751 -5.490 -7.147) 9.761 5.902 ( -4.991 -4.167 -8.033) 10.335 5.902 ( 4.991 -4.167 -8.033) 10.335 6.203 ( -9.992 -0.535 -6.329) 11.840 6.203 ( 9.992 -0.535 -6.329) 11.840 6.427 ( -7.969 6.290 -6.611) 12.115 6.427 ( 7.969 6.290 -6.611) 12.115 6.712 ( -1.045 -1.252 -0.643) 1.754 6.712 ( 1.045 -1.252 -0.643) 1.754 7.113 ( -0.995 5.209 3.893) 6.578 7.113 ( 0.995 5.209 3.893) 6.578 7.307 ( -2.956 -1.814 -6.126) 7.039 7.307 ( 2.956 -1.814 -6.126) 7.039 7.638 ( -3.498 6.063 1.148) 7.093 7.638 ( 3.498 6.063 1.148) 7.093 8.268 ( -7.633 -2.525 -8.492) 11.694 8.268 ( 7.633 -2.525 -8.492) 11.694 8.377 ( -5.238 -0.681 1.264) 5.432 8.377 ( 5.238 -0.681 1.264) 5.432 8.758 ( -2.752 4.895 0.958) 5.697 8.758 ( 2.752 4.895 0.958) 5.697 8.857 ( -2.055 7.092 -0.460) 7.398 8.857 ( 2.055 7.092 -0.460) 7.398 9.604 ( -5.094 -11.067 -6.959) 14.031 9.604 ( 5.094 -11.067 -6.959) 14.031 10.004 ( -2.918 -4.992 -13.776) 14.940 10.004 ( 2.918 -4.992 -13.776) 14.940 10.154 ( -1.266 -7.230 -10.586) 12.882 10.154 ( 1.266 -7.230 -10.586) 12.882 10.500 ( -5.950 2.140 -4.483) 7.751 10.500 ( 5.950 2.140 -4.483) 7.751 10.957 ( -3.253 -1.243 1.219) 3.690 10.957 ( 3.253 -1.243 1.219) 3.690 11.208 ( -4.434 5.974 1.728) 7.638 11.208 ( 4.434 5.974 1.728) 7.638 11.454 ( -6.401 -1.962 0.321) 6.702 11.454 ( 6.401 -1.962 0.321) 6.702 11.705 ( -3.211 1.039 7.813) 8.511 11.705 ( 3.211 1.039 7.813) 8.511 12.286 ( -8.195 2.205 -1.787) 8.672 12.286 ( 8.195 2.205 -1.787) 8.672 12.538 ( -2.217 2.953 -2.742) 4.599 12.538 ( 2.217 2.953 -2.742) 4.599 12.798 ( -13.779 -0.919 -3.310) 14.200 12.798 ( 13.779 -0.919 -3.310) 14.200 13.271 ( -9.574 -7.102 -1.446) 12.008 13.271 ( 9.574 -7.102 -1.446) 12.008 13.970 ( -4.504 0.269 -4.157) 6.135 13.970 ( 4.504 0.269 -4.157) 6.135 14.335 ( -4.737 2.898 5.355) 7.714 14.335 ( 4.737 2.898 5.355) 7.714 15.109 ( -18.927 -7.026 14.159) 24.659 15.109 ( 18.927 -7.026 14.159) 24.659 19.135 ( -3.043 1.074 5.626) 6.486 19.135 ( 3.043 1.074 5.626) 6.486 19.885 ( -2.119 -11.239 -0.107) 11.437 19.885 ( 2.119 -11.239 -0.107) 11.437 20.289 ( -0.821 11.752 -2.121) 11.971 20.289 ( 0.821 11.752 -2.121) 11.971 20.908 ( -12.248 13.576 -19.493) 26.726 20.908 ( 12.248 13.576 -19.493) 26.726 21.719 ( -2.281 -0.278 -2.506) 3.400 21.719 ( 2.281 -0.278 -2.506) 3.400 21.807 ( -1.874 -1.325 1.540) 2.764 21.807 ( 1.874 -1.325 1.540) 2.764 22.376 ( -1.051 0.430 7.841) 7.922 22.376 ( 1.051 0.430 7.841) 7.922 23.125 ( -15.169 -6.423 11.712) 20.212 23.125 ( 15.169 -6.423 11.712) 20.212 ======================= Grid point 100 (37/90) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 0.000 19.031 24.340) 30.897 2.332 ( 0.000 25.551 26.423) 36.756 3.125 ( 0.000 19.229 15.107) 24.454 3.190 ( 0.000 0.333 2.933) 2.952 3.465 ( 0.000 -5.829 0.200) 5.832 3.478 ( 0.000 5.639 7.912) 9.716 3.588 ( 0.000 26.866 32.580) 42.229 3.791 ( 0.000 -8.356 4.823) 9.648 4.185 ( 0.000 9.769 9.663) 13.741 4.625 ( 0.000 1.629 6.372) 6.577 4.701 ( 0.000 -8.288 2.138) 8.559 4.964 ( 0.000 -1.198 -1.559) 1.966 5.209 ( 0.000 -9.207 -7.749) 12.034 5.268 ( 0.000 0.195 -7.105) 7.108 5.593 ( 0.000 9.533 -11.030) 14.578 5.624 ( 0.000 -0.543 -3.821) 3.859 5.748 ( 0.000 -7.734 0.283) 7.740 5.969 ( 0.000 11.493 -17.932) 21.299 5.978 ( 0.000 -4.365 -0.091) 4.366 6.347 ( 0.000 7.314 -0.277) 7.320 6.432 ( 0.000 -5.782 -9.159) 10.831 6.621 ( 0.000 -13.034 -2.789) 13.329 6.771 ( 0.000 -2.740 -2.215) 3.524 6.891 ( 0.000 4.642 0.454) 4.664 7.179 ( 0.000 7.158 1.486) 7.311 7.229 ( 0.000 10.672 -3.020) 11.091 7.270 ( 0.000 10.406 -8.853) 13.663 7.362 ( 0.000 -4.084 -2.576) 4.829 7.523 ( 0.000 4.476 -1.853) 4.844 7.769 ( 0.000 6.233 3.638) 7.218 7.883 ( 0.000 -8.868 -3.047) 9.376 8.150 ( 0.000 2.524 1.379) 2.877 8.395 ( 0.000 -0.399 -1.972) 2.012 8.632 ( 0.000 5.316 -1.700) 5.582 8.778 ( 0.000 5.031 -2.960) 5.837 8.866 ( 0.000 10.102 -0.645) 10.123 9.030 ( 0.000 5.423 -2.774) 6.091 9.054 ( 0.000 7.235 -6.044) 9.428 9.336 ( 0.000 -4.223 -1.403) 4.450 9.368 ( 0.000 -19.740 -6.396) 20.750 9.748 ( 0.000 -4.887 -13.527) 14.383 9.840 ( 0.000 -11.467 -8.245) 14.123 9.853 ( 0.000 -7.279 -9.659) 12.095 10.085 ( 0.000 -10.359 -12.169) 15.981 10.426 ( 0.000 2.631 -0.692) 2.720 10.762 ( 0.000 -2.499 0.194) 2.507 10.979 ( 0.000 -0.235 0.262) 0.352 11.012 ( 0.000 9.886 -2.803) 10.275 11.258 ( 0.000 6.877 -1.295) 6.998 11.326 ( 0.000 3.912 -0.533) 3.948 11.419 ( 0.000 -1.346 7.869) 7.984 11.539 ( 0.000 2.136 8.962) 9.213 11.677 ( 0.000 1.873 5.210) 5.537 11.843 ( 0.000 -10.749 -1.865) 10.910 12.129 ( 0.000 2.156 2.810) 3.541 12.180 ( 0.000 1.184 -1.152) 1.652 12.414 ( 0.000 -5.784 10.141) 11.674 12.580 ( 0.000 2.671 -2.827) 3.889 12.832 ( 0.000 -5.153 -1.483) 5.362 12.856 ( 0.000 11.559 -12.002) 16.663 13.226 ( 0.000 -13.118 -6.510) 14.644 13.290 ( 0.000 2.569 -1.639) 3.047 13.710 ( 0.000 -6.292 -2.318) 6.705 14.099 ( 0.000 -5.707 -1.987) 6.043 14.423 ( 0.000 6.034 8.726) 10.609 14.445 ( 0.000 6.134 2.575) 6.653 14.666 ( 0.000 1.775 1.081) 2.079 15.323 ( 0.000 -22.122 11.676) 25.015 19.076 ( 0.000 2.106 3.057) 3.712 19.243 ( 0.000 1.834 6.450) 6.706 19.526 ( 0.000 -8.983 -0.291) 8.988 19.729 ( 0.000 -10.079 2.699) 10.435 20.567 ( 0.000 17.553 -4.081) 18.021 20.644 ( 0.000 14.701 -4.782) 15.459 20.927 ( 0.000 20.893 -21.247) 29.798 21.328 ( 0.000 8.387 -12.475) 15.032 21.674 ( 0.000 0.253 -1.991) 2.007 21.698 ( 0.000 -2.940 3.123) 4.290 21.753 ( 0.000 -4.486 -5.280) 6.928 21.847 ( 0.000 -1.289 1.099) 1.694 22.380 ( 0.000 -0.102 9.186) 9.186 22.407 ( 0.000 4.320 7.231) 8.423 22.691 ( 0.000 -4.954 12.424) 13.375 23.336 ( 0.000 -19.099 8.074) 20.736 ======================= Grid point 101 (38/90) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 13.049 16.920 22.667) 31.151 2.436 ( 8.829 23.315 23.460) 34.233 2.886 ( -16.611 12.950 15.146) 25.943 3.040 ( -14.836 13.015 8.226) 21.381 3.399 ( 4.038 -3.188 4.118) 6.590 3.571 ( 0.062 -3.605 5.556) 6.623 3.666 ( 3.077 17.867 19.651) 26.736 3.785 ( -0.944 -4.899 8.348) 9.725 4.335 ( 11.632 9.382 9.017) 17.453 4.639 ( -3.293 -5.755 5.580) 8.667 4.669 ( 5.849 0.147 6.459) 8.715 4.972 ( -0.867 1.375 -0.997) 1.907 5.186 ( -2.615 -0.438 -5.500) 6.105 5.282 ( -1.454 -4.859 -6.127) 7.954 5.498 ( -2.787 -3.950 -5.123) 7.044 5.621 ( -7.418 3.502 -5.031) 9.623 5.816 ( 1.445 -5.337 -0.561) 5.557 5.882 ( 1.303 7.721 -4.884) 9.229 6.045 ( 5.834 4.869 -15.016) 16.829 6.303 ( -1.772 2.987 -5.538) 6.537 6.402 ( -2.302 0.407 -8.882) 9.185 6.618 ( -2.102 -10.032 -2.953) 10.667 6.678 ( -2.805 3.557 -3.347) 5.632 6.881 ( -3.097 2.514 2.960) 4.967 7.218 ( 0.502 5.942 1.186) 6.080 7.241 ( 0.593 7.220 -4.839) 8.712 7.254 ( 0.963 7.727 -5.724) 9.664 7.371 ( -1.480 -2.159 -3.670) 4.508 7.613 ( 6.277 4.606 -0.856) 7.832 7.729 ( -1.340 1.419 3.339) 3.868 8.002 ( 8.206 -3.644 -2.580) 9.342 8.226 ( 7.017 1.505 0.482) 7.193 8.356 ( -3.883 -1.769 -3.880) 5.767 8.582 ( -4.499 5.788 -1.326) 7.450 8.812 ( 2.791 5.151 -2.916) 6.545 8.895 ( 2.221 7.882 -1.540) 8.332 8.992 ( -3.021 6.886 -4.215) 8.620 9.034 ( -1.742 4.941 -3.946) 6.559 9.321 ( -0.302 -10.328 -4.300) 11.192 9.366 ( -0.823 -15.587 -2.769) 15.852 9.799 ( 3.961 -5.805 -13.712) 15.409 9.841 ( 1.676 -8.092 -10.881) 13.663 9.911 ( 2.707 -10.934 -9.317) 14.618 10.052 ( -2.920 -10.619 -12.240) 16.465 10.442 ( 2.091 3.478 -1.285) 4.257 10.763 ( -8.359 3.436 -2.519) 9.382 10.829 ( 1.886 -2.544 0.636) 3.230 11.057 ( -2.803 3.759 4.109) 6.235 11.268 ( 3.025 6.002 -4.101) 7.874 11.376 ( 2.971 4.887 2.184) 6.122 11.415 ( -0.641 2.482 5.242) 5.835 11.513 ( -2.140 1.543 8.515) 8.914 11.682 ( 0.475 1.340 5.403) 5.587 11.786 ( -4.312 -3.707 0.768) 5.737 12.109 ( 2.623 -5.008 6.125) 8.335 12.274 ( 0.096 -3.532 -0.841) 3.632 12.469 ( 7.824 -3.964 2.997) 9.269 12.614 ( 2.778 4.133 -4.008) 6.393 12.789 ( -2.814 6.234 -9.948) 12.073 12.951 ( 5.450 -1.250 -0.642) 5.628 13.044 ( -9.612 -4.150 -6.754) 12.459 13.297 ( -3.239 -2.875 -2.093) 4.811 13.788 ( 5.834 -6.078 -2.460) 8.777 14.043 ( -4.395 -5.107 -1.579) 6.921 14.389 ( -0.035 7.358 4.274) 8.509 14.479 ( -0.800 4.836 4.903) 6.933 14.740 ( 7.162 -1.161 4.467) 8.520 15.200 ( -9.766 -16.753 11.415) 22.502 19.104 ( 2.357 2.216 3.656) 4.882 19.225 ( -1.748 2.154 6.293) 6.877 19.573 ( 3.653 -10.357 -0.304) 10.987 19.712 ( -1.605 -10.422 2.156) 10.763 20.571 ( 0.380 17.446 -4.220) 17.953 20.618 ( -1.703 16.128 -5.047) 16.985 21.013 ( 6.559 16.880 -20.246) 27.163 21.287 ( -3.631 8.938 -14.190) 17.159 21.675 ( 0.397 -1.091 -0.527) 1.275 21.724 ( 1.601 -1.456 0.548) 2.233 21.732 ( -1.158 -4.067 -2.742) 5.040 21.830 ( -1.586 -1.171 0.183) 1.980 22.379 ( 0.333 1.017 8.894) 8.958 22.412 ( -0.119 3.029 7.961) 8.519 22.761 ( 6.256 -6.194 12.169) 15.020 23.210 ( -10.030 -15.496 9.685) 20.846 ======================= Grid point 102 (39/90) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( -20.022 14.013 18.487) 30.643 2.454 ( 20.022 14.013 18.487) 30.643 2.702 ( -14.015 18.482 17.030) 28.775 2.702 ( 14.015 18.482 17.030) 28.775 3.511 ( -4.534 -7.771 0.020) 8.997 3.511 ( 4.534 -7.771 0.020) 8.997 3.730 ( -3.311 6.797 13.371) 15.360 3.730 ( 3.311 6.797 13.371) 15.360 4.557 ( -6.183 -2.627 9.357) 11.518 4.557 ( 6.183 -2.627 9.357) 11.518 4.887 ( -9.106 10.099 7.623) 15.590 4.887 ( 9.106 10.099 7.623) 15.590 5.151 ( -4.636 -2.299 -7.092) 8.779 5.151 ( 4.636 -2.299 -7.092) 8.779 5.484 ( -1.978 -5.299 -3.640) 6.726 5.484 ( 1.978 -5.299 -3.640) 6.726 5.886 ( -2.105 4.720 -6.331) 8.173 5.886 ( 2.105 4.720 -6.331) 8.173 6.193 ( -7.333 1.048 -10.616) 12.945 6.193 ( 7.333 1.048 -10.616) 12.945 6.484 ( -8.545 0.060 -9.145) 12.516 6.484 ( 8.545 0.060 -9.145) 12.516 6.749 ( -7.359 3.337 2.728) 8.528 6.749 ( 7.359 3.337 2.728) 8.528 7.231 ( -1.215 7.074 -1.038) 7.253 7.231 ( 1.215 7.074 -1.038) 7.253 7.308 ( -3.119 1.745 -4.732) 5.930 7.308 ( 3.119 1.745 -4.732) 5.930 7.706 ( -1.759 0.725 1.932) 2.711 7.706 ( 1.759 0.725 1.932) 2.711 8.202 ( -8.686 -2.644 -3.188) 9.623 8.202 ( 8.686 -2.644 -3.188) 9.623 8.430 ( -8.809 4.050 -1.764) 9.854 8.430 ( 8.809 4.050 -1.764) 9.854 8.886 ( -3.451 6.445 -3.906) 8.289 8.886 ( 3.451 6.445 -3.906) 8.289 8.981 ( -2.587 4.195 -2.492) 5.522 8.981 ( 2.587 4.195 -2.492) 5.522 9.336 ( -1.433 -13.224 -3.450) 13.741 9.336 ( 1.433 -13.224 -3.450) 13.741 9.869 ( -0.815 -7.794 -12.578) 14.820 9.869 ( 0.815 -7.794 -12.578) 14.820 9.971 ( -3.524 -11.061 -11.561) 16.383 9.971 ( 3.524 -11.061 -11.561) 16.383 10.551 ( -7.912 3.893 -2.440) 9.149 10.551 ( 7.912 3.893 -2.440) 9.149 10.942 ( -6.013 -0.506 3.515) 6.983 10.942 ( 6.013 -0.506 3.515) 6.983 11.357 ( -3.819 7.665 -1.459) 8.687 11.357 ( 3.819 7.665 -1.459) 8.687 11.453 ( -3.095 1.528 7.037) 7.838 11.453 ( 3.095 1.528 7.037) 7.838 11.707 ( -2.192 -0.038 4.768) 5.248 11.707 ( 2.192 -0.038 4.768) 5.248 12.204 ( -4.681 -7.463 4.750) 10.009 12.204 ( 4.681 -7.463 4.750) 10.009 12.658 ( -3.395 1.217 -7.925) 8.708 12.658 ( 3.395 1.217 -7.925) 8.708 12.777 ( -7.621 1.296 -3.950) 8.681 12.777 ( 7.621 1.296 -3.950) 8.681 13.156 ( -8.415 -1.530 -1.815) 8.743 13.156 ( 8.415 -1.530 -1.815) 8.743 13.925 ( -5.937 -5.264 -2.070) 8.201 13.925 ( 5.937 -5.264 -2.070) 8.201 14.426 ( -2.877 6.098 4.171) 7.928 14.426 ( 2.877 6.098 4.171) 7.928 14.954 ( -11.132 -7.883 8.990) 16.336 14.954 ( 11.132 -7.883 8.990) 16.336 19.168 ( -3.056 2.355 5.093) 6.389 19.168 ( 3.056 2.355 5.093) 6.389 19.656 ( -3.320 -11.025 0.795) 11.541 19.656 ( 3.320 -11.025 0.795) 11.541 20.586 ( -1.034 17.092 -4.649) 17.743 20.586 ( 1.034 17.092 -4.649) 17.743 21.170 ( -6.684 11.530 -17.735) 22.184 21.170 ( 6.684 11.530 -17.735) 22.184 21.695 ( -1.369 -2.368 -0.966) 2.901 21.695 ( 1.369 -2.368 -0.966) 2.901 21.780 ( -2.616 -1.184 -0.029) 2.872 21.780 ( 2.616 -1.184 -0.029) 2.872 22.396 ( -1.030 1.907 8.636) 8.904 22.396 ( 1.030 1.907 8.636) 8.904 22.960 ( -11.016 -9.760 11.479) 18.665 22.960 ( 11.016 -9.760 11.479) 18.665 ======================= Grid point 105 (40/90) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( 0.000 22.684 16.408) 27.996 2.809 ( 0.000 23.066 21.356) 31.434 3.089 ( 0.000 -11.694 3.161) 12.114 3.363 ( 0.000 2.941 11.032) 11.417 3.416 ( 0.000 1.524 6.206) 6.391 3.579 ( 0.000 -2.195 13.941) 14.113 3.708 ( 0.000 5.330 3.876) 6.590 4.014 ( 0.000 5.277 15.112) 16.007 4.318 ( 0.000 10.035 3.586) 10.656 4.549 ( 0.000 -3.383 10.897) 11.410 4.685 ( 0.000 9.663 11.249) 14.830 4.980 ( 0.000 -4.797 -10.982) 11.984 5.118 ( 0.000 3.843 2.924) 4.829 5.259 ( 0.000 -4.554 -7.157) 8.483 5.490 ( 0.000 -8.925 3.396) 9.550 5.551 ( 0.000 -6.226 -7.521) 9.764 5.770 ( 0.000 5.247 -9.358) 10.729 5.971 ( 0.000 2.024 -6.427) 6.739 6.123 ( 0.000 0.464 -10.238) 10.248 6.195 ( 0.000 -17.018 -5.585) 17.911 6.494 ( 0.000 2.393 -6.783) 7.193 6.575 ( 0.000 10.626 2.973) 11.034 6.743 ( 0.000 2.937 -1.689) 3.388 7.006 ( 0.000 3.857 2.944) 4.852 7.299 ( 0.000 4.801 1.890) 5.159 7.328 ( 0.000 1.115 -3.698) 3.862 7.470 ( 0.000 11.688 -13.588) 17.923 7.556 ( 0.000 19.039 -5.765) 19.893 7.585 ( 0.000 1.013 -2.000) 2.242 7.767 ( 0.000 0.330 -1.669) 1.701 7.821 ( 0.000 3.406 2.671) 4.329 8.194 ( 0.000 -3.794 -2.147) 4.359 8.290 ( 0.000 -11.102 -7.484) 13.388 8.553 ( 0.000 -18.090 -3.814) 18.488 8.815 ( 0.000 1.471 -3.428) 3.731 9.000 ( 0.000 -5.389 -3.171) 6.253 9.076 ( 0.000 10.972 -3.570) 11.538 9.152 ( 0.000 4.027 -6.027) 7.248 9.222 ( 0.000 4.491 -2.843) 5.315 9.294 ( 0.000 -0.648 1.853) 1.963 9.637 ( 0.000 -5.149 -11.750) 12.829 9.695 ( 0.000 -3.577 -10.235) 10.842 9.701 ( 0.000 -7.927 -8.181) 11.391 9.853 ( 0.000 -10.850 -11.688) 15.948 10.534 ( 0.000 6.647 1.142) 6.744 10.710 ( 0.000 -2.747 1.539) 3.149 11.036 ( 0.000 5.875 0.634) 5.909 11.173 ( 0.000 5.430 -0.663) 5.470 11.363 ( 0.000 1.335 2.746) 3.054 11.365 ( 0.000 4.711 3.990) 6.174 11.407 ( 0.000 -0.247 7.365) 7.369 11.572 ( 0.000 -5.417 -1.870) 5.731 11.614 ( 0.000 -5.741 11.028) 12.433 11.695 ( 0.000 -0.833 2.288) 2.435 12.175 ( 0.000 0.038 -4.313) 4.313 12.219 ( 0.000 5.997 6.698) 8.991 12.297 ( 0.000 -4.959 3.901) 6.309 12.508 ( 0.000 -7.060 3.231) 7.764 12.810 ( 0.000 -0.095 -4.869) 4.870 12.960 ( 0.000 -8.798 -1.985) 9.019 13.118 ( 0.000 10.480 -11.301) 15.412 13.428 ( 0.000 10.872 -3.045) 11.291 13.557 ( 0.000 -8.972 -3.256) 9.545 13.926 ( 0.000 -11.057 -0.961) 11.099 14.547 ( 0.000 4.111 1.301) 4.312 14.555 ( 0.000 5.880 3.087) 6.641 14.698 ( 0.000 2.091 1.372) 2.501 14.989 ( 0.000 -12.712 8.053) 15.048 19.131 ( 0.000 3.528 2.149) 4.131 19.277 ( 0.000 0.343 3.200) 3.219 19.386 ( 0.000 -3.900 3.638) 5.334 19.548 ( 0.000 -8.061 4.448) 9.207 20.912 ( 0.000 13.914 -7.219) 15.675 20.935 ( 0.000 17.352 -6.701) 18.601 21.169 ( 0.000 4.012 -18.265) 18.701 21.444 ( 0.000 -0.620 -14.406) 14.420 21.646 ( 0.000 -1.627 1.433) 2.168 21.668 ( 0.000 -0.929 -2.825) 2.974 21.676 ( 0.000 -0.325 0.380) 0.500 21.814 ( 0.000 -2.259 1.290) 2.602 22.398 ( 0.000 2.153 9.876) 10.108 22.510 ( 0.000 4.666 7.786) 9.077 22.596 ( 0.000 -2.778 11.441) 11.773 22.990 ( 0.000 -15.762 9.774) 18.547 ======================= Grid point 106 (41/90) ======================= q-point: ( 0.25 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( 9.479 20.372 15.218) 27.138 2.881 ( 6.304 21.861 18.909) 29.583 3.036 ( -6.792 0.408 6.127) 9.157 3.273 ( -8.060 -1.370 3.641) 8.949 3.313 ( -4.325 5.368 12.524) 14.296 3.525 ( -9.423 2.020 10.575) 14.308 3.663 ( 2.988 -9.067 6.961) 11.815 3.946 ( -6.358 0.906 6.391) 9.061 4.427 ( 4.633 8.177 8.522) 12.687 4.506 ( -1.464 -3.568 13.515) 14.054 4.716 ( 4.823 6.005 9.952) 12.584 5.030 ( 2.900 -8.824 -9.312) 13.153 5.146 ( 2.628 4.498 -0.220) 5.214 5.257 ( 1.764 -2.221 -4.008) 4.910 5.380 ( -5.928 -2.219 0.088) 6.330 5.584 ( -4.997 -4.840 -1.546) 7.127 5.855 ( 6.671 5.975 -8.134) 12.098 5.987 ( 3.592 4.286 -6.578) 8.633 6.123 ( 1.674 0.133 -9.437) 9.585 6.299 ( 4.696 -9.904 -6.712) 12.853 6.486 ( 0.574 7.043 -4.159) 8.199 6.573 ( -2.688 9.960 -0.634) 10.336 6.701 ( -0.907 -0.188 -3.769) 3.882 6.912 ( -6.154 0.205 0.968) 6.233 7.336 ( 1.283 3.236 2.425) 4.242 7.337 ( 1.080 3.669 -6.126) 7.222 7.407 ( -2.528 7.814 -6.989) 10.784 7.485 ( -3.999 10.847 -6.304) 13.168 7.673 ( 3.219 4.727 -2.812) 6.373 7.746 ( -0.575 4.472 -0.368) 4.524 7.979 ( 9.800 0.885 2.099) 10.061 8.242 ( 4.563 -4.282 -1.933) 6.550 8.277 ( -0.991 -6.737 -5.071) 8.490 8.547 ( -0.052 -13.238 -4.372) 13.942 8.786 ( -2.502 -5.281 -4.371) 7.298 8.906 ( -7.670 -9.336 -4.664) 12.952 9.089 ( 1.017 10.510 -3.678) 11.182 9.131 ( -1.152 7.096 -5.663) 9.151 9.235 ( 1.141 4.015 -2.405) 4.817 9.289 ( -0.591 1.154 0.606) 1.431 9.678 ( 2.910 -5.858 -11.799) 13.491 9.706 ( 0.883 -5.299 -9.847) 11.217 9.719 ( 1.227 -8.252 -8.907) 12.204 9.826 ( -2.230 -10.200 -11.889) 15.823 10.556 ( 2.409 7.002 0.025) 7.405 10.767 ( 4.797 -2.980 2.348) 6.116 10.866 ( -10.193 6.265 -2.411) 12.205 11.102 ( -8.006 -0.645 4.464) 9.189 11.356 ( 3.692 3.067 0.367) 4.814 11.426 ( 2.243 0.892 9.071) 9.387 11.473 ( 2.526 4.485 0.088) 5.148 11.566 ( -1.393 0.896 8.678) 8.835 11.637 ( 2.586 -4.345 4.588) 6.828 11.763 ( 4.507 0.303 0.722) 4.574 12.026 ( -5.493 -1.738 5.208) 7.767 12.201 ( -6.354 -4.953 2.089) 8.323 12.402 ( 9.295 0.140 -0.159) 9.298 12.593 ( 5.229 -5.059 0.411) 7.287 12.785 ( -2.635 -2.628 -5.573) 6.701 12.868 ( -6.706 -7.306 -2.251) 10.169 13.163 ( 4.146 12.568 -8.358) 15.652 13.394 ( -3.414 11.051 -3.539) 12.096 13.631 ( 5.756 -9.809 -2.569) 11.659 13.882 ( -3.775 -10.626 -1.025) 11.323 14.528 ( 0.189 6.293 1.778) 6.542 14.590 ( 0.128 5.897 3.613) 6.917 14.711 ( 2.460 -1.546 1.839) 3.438 14.933 ( -4.534 -10.738 7.094) 13.645 19.162 ( 2.562 3.706 2.777) 5.292 19.277 ( -0.799 2.843 4.771) 5.610 19.401 ( 1.880 -6.814 1.874) 7.313 19.526 ( -1.955 -8.223 3.738) 9.242 20.913 ( 0.107 14.593 -7.393) 16.359 20.930 ( -0.443 17.128 -6.988) 18.504 21.210 ( 3.437 2.809 -17.267) 17.829 21.402 ( -3.513 -0.439 -14.538) 14.963 21.645 ( 0.235 -0.892 0.889) 1.281 21.669 ( -0.484 0.062 0.267) 0.556 21.699 ( 2.169 -1.530 -1.791) 3.202 21.798 ( -1.434 -2.261 0.337) 2.699 22.414 ( 1.462 2.957 9.768) 10.310 22.506 ( -1.186 6.248 8.362) 10.505 22.631 ( 3.860 -6.464 11.331) 13.604 22.918 ( -5.917 -13.780 10.205) 18.139 ======================= Grid point 107 (42/90) ======================= q-point: (-0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( -16.127 15.160 12.697) 25.517 2.743 ( 16.127 15.160 12.697) 25.517 3.073 ( -9.823 17.702 11.105) 23.090 3.073 ( 9.823 17.702 11.105) 23.090 3.328 ( -5.769 -9.364 7.821) 13.496 3.328 ( 5.769 -9.364 7.821) 13.496 3.784 ( -6.988 -6.377 5.118) 10.756 3.784 ( 6.988 -6.377 5.118) 10.756 4.468 ( -2.167 2.882 12.921) 13.414 4.468 ( 2.167 2.882 12.921) 13.414 4.937 ( -10.911 -9.590 4.177) 15.115 4.937 ( 10.911 -9.590 4.177) 15.115 5.254 ( -5.271 9.153 -8.056) 13.283 5.254 ( 5.271 9.153 -8.056) 13.283 5.391 ( -8.926 -1.531 2.098) 9.297 5.391 ( 8.926 -1.531 2.098) 9.297 5.981 ( -3.464 5.477 -6.342) 9.067 5.981 ( 3.464 5.477 -6.342) 9.067 6.264 ( -7.422 0.872 -5.543) 9.304 6.264 ( 7.422 0.872 -5.543) 9.304 6.513 ( -2.464 5.837 -7.697) 9.969 6.513 ( 2.464 5.837 -7.697) 9.969 6.767 ( -6.231 -2.083 -0.941) 6.638 6.767 ( 6.231 -2.083 -0.941) 6.638 7.352 ( -0.381 4.574 -3.341) 5.677 7.352 ( 0.381 4.574 -3.341) 5.677 7.406 ( -2.565 7.279 -4.351) 8.860 7.406 ( 2.565 7.279 -4.351) 8.860 7.722 ( -1.635 3.757 -0.759) 4.166 7.722 ( 1.635 3.757 -0.759) 4.166 8.156 ( -6.569 -4.114 0.084) 7.752 8.156 ( 6.569 -4.114 0.084) 7.752 8.472 ( -9.532 0.149 -1.323) 9.625 8.472 ( 9.532 0.149 -1.323) 9.625 8.760 ( -2.793 -16.242 -8.031) 18.333 8.760 ( 2.793 -16.242 -8.031) 18.333 9.111 ( -0.833 9.482 -4.403) 10.488 9.111 ( 0.833 9.482 -4.403) 10.488 9.266 ( -1.374 3.204 -1.203) 3.687 9.266 ( 1.374 3.204 -1.203) 3.687 9.720 ( -0.132 -7.013 -9.648) 11.928 9.720 ( 0.132 -7.013 -9.648) 11.928 9.763 ( -3.056 -8.729 -11.910) 15.079 9.763 ( 3.056 -8.729 -11.910) 15.079 10.661 ( -7.176 7.079 -1.689) 10.221 10.661 ( 7.176 7.079 -1.689) 10.221 10.914 ( -7.884 -3.089 3.191) 9.049 10.914 ( 7.884 -3.089 3.191) 9.049 11.437 ( -2.695 1.842 2.782) 4.289 11.437 ( 2.695 1.842 2.782) 4.289 11.511 ( -2.928 1.922 7.142) 7.955 11.511 ( 2.928 1.922 7.142) 7.955 11.744 ( -5.465 4.698 3.515) 8.018 11.744 ( 5.465 4.698 3.515) 8.018 12.049 ( -6.329 -8.216 3.830) 11.055 12.049 ( 6.329 -8.216 3.830) 11.055 12.605 ( -7.525 -2.026 -3.342) 8.480 12.605 ( 7.525 -2.026 -3.342) 8.480 12.748 ( -3.398 -5.322 -2.888) 6.943 12.748 ( 3.398 -5.322 -2.888) 6.943 13.284 ( -5.925 12.139 -4.955) 14.388 13.284 ( 5.925 12.139 -4.955) 14.388 13.769 ( -6.023 -10.205 -1.582) 11.955 13.769 ( 6.023 -10.205 -1.582) 11.955 14.557 ( -2.054 6.840 2.799) 7.670 14.557 ( 2.054 6.840 2.799) 7.670 14.813 ( -5.691 -6.608 4.626) 9.872 14.813 ( 5.691 -6.608 4.626) 9.872 19.229 ( -3.079 3.954 4.302) 6.604 19.229 ( 3.079 3.954 4.302) 6.604 19.466 ( -3.273 -8.377 2.146) 9.246 19.466 ( 3.273 -8.377 2.146) 9.246 20.919 ( -0.447 16.057 -7.370) 17.673 20.919 ( 0.447 16.057 -7.370) 17.673 21.306 ( -4.711 0.745 -15.566) 16.281 21.306 ( 4.711 0.745 -15.566) 16.281 21.656 ( -0.632 -0.139 0.734) 0.978 21.656 ( 0.632 -0.139 0.734) 0.978 21.753 ( -2.443 -1.947 -1.113) 3.316 21.753 ( 2.443 -1.947 -1.113) 3.316 22.460 ( -2.430 4.728 9.382) 10.784 22.460 ( 2.430 4.728 9.382) 10.784 22.762 ( -7.197 -9.933 10.821) 16.357 22.762 ( 7.197 -9.933 10.821) 16.357 ======================= Grid point 110 (43/90) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( 0.000 -20.024 9.522) 22.173 2.766 ( 0.000 20.024 9.522) 22.173 3.216 ( 0.000 -16.586 12.453) 20.741 3.216 ( 0.000 16.586 12.453) 20.741 3.481 ( 0.000 -4.512 10.935) 11.830 3.481 ( 0.000 4.512 10.935) 11.830 3.890 ( 0.000 -10.426 11.788) 15.737 3.890 ( 0.000 10.426 11.788) 15.737 4.499 ( 0.000 -5.294 -2.244) 5.750 4.499 ( 0.000 5.294 -2.244) 5.750 4.935 ( 0.000 -3.537 5.690) 6.700 4.935 ( 0.000 3.537 5.690) 6.700 5.120 ( 0.000 -1.218 4.627) 4.785 5.120 ( 0.000 1.218 4.627) 4.785 5.452 ( 0.000 -1.777 -6.505) 6.743 5.452 ( 0.000 1.777 -6.505) 6.743 5.900 ( 0.000 -10.431 -8.224) 13.284 5.900 ( 0.000 10.431 -8.224) 13.284 6.050 ( 0.000 -5.428 -6.581) 8.530 6.050 ( 0.000 5.428 -6.581) 8.530 6.586 ( 0.000 -4.451 -2.687) 5.199 6.586 ( 0.000 4.451 -2.687) 5.199 6.940 ( 0.000 -9.867 3.962) 10.633 6.940 ( 0.000 9.867 3.962) 10.633 7.359 ( 0.000 -0.639 -2.623) 2.700 7.359 ( 0.000 0.639 -2.623) 2.700 7.581 ( 0.000 -0.665 -6.829) 6.862 7.581 ( 0.000 0.665 -6.829) 6.862 7.920 ( 0.000 -1.558 -0.613) 1.674 7.920 ( 0.000 1.558 -0.613) 1.674 8.009 ( 0.000 -6.073 -11.023) 12.585 8.009 ( 0.000 6.073 -11.023) 12.585 8.080 ( 0.000 -23.265 -5.266) 23.854 8.080 ( 0.000 23.265 -5.266) 23.854 8.906 ( 0.000 -5.996 3.934) 7.171 8.906 ( 0.000 5.996 3.934) 7.171 9.244 ( 0.000 -3.634 -5.667) 6.732 9.244 ( 0.000 3.634 -5.667) 6.732 9.248 ( 0.000 -3.438 -4.276) 5.487 9.248 ( 0.000 3.438 -4.276) 5.486 9.590 ( 0.000 -1.348 -9.903) 9.994 9.590 ( 0.000 1.348 -9.903) 9.994 9.701 ( 0.000 -4.372 -9.562) 10.514 9.701 ( 0.000 4.372 -9.562) 10.514 10.645 ( 0.000 -4.261 1.480) 4.511 10.645 ( 0.000 4.261 1.480) 4.511 11.173 ( 0.000 -5.863 2.243) 6.278 11.173 ( 0.000 5.863 2.243) 6.278 11.400 ( 0.000 -1.958 -2.748) 3.374 11.400 ( 0.000 1.958 -2.748) 3.374 11.425 ( 0.000 -2.927 7.615) 8.158 11.425 ( 0.000 2.927 7.615) 8.158 11.635 ( 0.000 -3.920 8.436) 9.303 11.635 ( 0.000 3.920 8.436) 9.303 12.207 ( 0.000 -2.941 0.634) 3.009 12.207 ( 0.000 2.941 0.634) 3.009 12.367 ( 0.000 -7.227 2.382) 7.609 12.367 ( 0.000 7.227 2.382) 7.609 12.826 ( 0.000 -3.283 -3.114) 4.525 12.826 ( 0.000 3.283 -3.114) 4.525 13.346 ( 0.000 -11.393 -5.642) 12.714 13.346 ( 0.000 11.393 -5.642) 12.714 13.684 ( 0.000 -13.165 -3.049) 13.513 13.684 ( 0.000 13.165 -3.049) 13.513 14.601 ( 0.000 -1.015 0.771) 1.274 14.601 ( 0.000 1.015 0.771) 1.274 14.793 ( 0.000 -7.677 4.452) 8.874 14.793 ( 0.000 7.677 4.452) 8.874 19.213 ( 0.000 -4.722 1.028) 4.833 19.213 ( 0.000 4.722 1.028) 4.833 19.418 ( 0.000 -5.100 5.949) 7.835 19.418 ( 0.000 5.100 5.949) 7.835 21.122 ( 0.000 -7.522 -11.267) 13.547 21.122 ( 0.000 7.522 -11.267) 13.547 21.264 ( 0.000 -14.596 -10.404) 17.925 21.264 ( 0.000 14.596 -10.404) 17.925 21.644 ( 0.000 -1.076 -1.612) 1.938 21.644 ( 0.000 1.076 -1.612) 1.938 21.749 ( 0.000 -4.506 0.525) 4.536 21.749 ( 0.000 4.506 0.525) 4.536 22.465 ( 0.000 -4.445 10.038) 10.978 22.465 ( 0.000 4.445 10.038) 10.978 22.723 ( 0.000 -11.299 9.374) 14.682 22.723 ( 0.000 11.299 9.374) 14.682 ======================= Grid point 112 (44/90) ======================= q-point: ( 0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.827 ( 5.894 -17.698 8.213) 20.382 2.827 ( 5.894 17.698 8.213) 20.382 3.232 ( -1.588 -9.373 8.998) 13.090 3.232 ( -1.588 9.373 8.998) 13.090 3.404 ( -3.248 -11.239 12.788) 17.332 3.404 ( -3.248 11.239 12.788) 17.332 3.746 ( -11.069 -14.766 9.329) 20.678 3.746 ( -11.069 14.766 9.329) 20.678 4.550 ( 4.096 -2.370 4.543) 6.560 4.550 ( 4.096 2.370 4.543) 6.560 4.842 ( -6.739 -9.055 4.690) 12.223 4.842 ( -6.739 9.055 4.690) 12.223 5.180 ( 5.827 -3.467 2.910) 7.378 5.180 ( 5.827 3.467 2.910) 7.378 5.468 ( -0.455 -6.754 -7.901) 10.404 5.468 ( -0.455 6.754 -7.901) 10.404 6.022 ( 7.273 -8.825 -6.970) 13.392 6.022 ( 7.273 8.825 -6.970) 13.392 6.098 ( 4.813 -5.436 -5.038) 8.837 6.098 ( 4.813 5.436 -5.038) 8.837 6.606 ( 1.544 -4.602 -2.934) 5.672 6.606 ( 1.544 4.602 -2.934) 5.672 6.836 ( -7.914 -8.508 1.426) 11.707 6.836 ( -7.914 8.508 1.426) 11.707 7.379 ( 1.758 -1.687 -2.664) 3.610 7.379 ( 1.758 1.687 -2.664) 3.610 7.525 ( -3.687 -3.149 -7.264) 8.734 7.525 ( -3.687 3.149 -7.264) 8.734 7.906 ( 0.257 -9.302 -2.190) 9.560 7.906 ( 0.257 9.302 -2.190) 9.560 8.018 ( -2.770 -15.098 -2.992) 15.639 8.018 ( -2.770 15.098 -2.992) 15.639 8.211 ( 12.317 -9.546 -7.627) 17.349 8.211 ( 12.317 9.546 -7.627) 17.349 8.792 ( -9.570 -4.546 2.270) 10.836 8.792 ( -9.570 4.546 2.270) 10.836 9.250 ( 0.813 -3.818 -5.656) 6.872 9.250 ( 0.813 3.818 -5.656) 6.872 9.267 ( 0.767 -5.379 -4.308) 6.934 9.267 ( 0.767 5.379 -4.308) 6.934 9.612 ( 1.701 -0.355 -9.666) 9.821 9.612 ( 1.701 0.355 -9.666) 9.821 9.688 ( -1.131 -3.529 -9.557) 10.251 9.688 ( -1.131 3.529 -9.557) 10.251 10.684 ( 3.597 -5.564 1.042) 6.707 10.684 ( 3.597 5.564 1.042) 6.707 11.011 ( -10.015 -7.493 0.076) 12.508 11.011 ( -10.015 7.493 0.076) 12.508 11.413 ( 2.641 -2.582 6.617) 7.578 11.413 ( 2.641 2.582 6.617) 7.578 11.534 ( 1.237 -2.242 3.391) 4.249 11.534 ( 1.237 2.242 3.391) 4.249 11.681 ( 6.759 -6.961 5.825) 11.316 11.681 ( 6.759 6.961 5.825) 11.316 12.082 ( -8.189 -5.950 2.318) 10.384 12.082 ( -8.189 5.950 2.318) 10.384 12.479 ( 6.999 -5.902 -0.277) 9.159 12.479 ( 6.999 5.902 -0.277) 9.159 12.767 ( -4.767 -2.101 -3.222) 6.126 12.767 ( -4.767 2.101 -3.222) 6.126 13.411 ( 5.135 -12.166 -4.671) 14.007 13.411 ( 5.135 12.166 -4.671) 14.007 13.645 ( -3.436 -13.049 -3.046) 13.833 13.645 ( -3.436 13.049 -3.046) 13.833 14.624 ( 2.043 -3.202 1.357) 4.034 14.624 ( 2.043 3.202 1.357) 4.034 14.760 ( -2.750 -7.141 3.996) 8.632 14.760 ( -2.750 7.141 3.996) 8.632 19.248 ( 2.915 -4.934 1.660) 5.967 19.248 ( 2.915 4.934 1.660) 5.967 19.393 ( -2.191 -5.162 5.150) 7.614 19.393 ( -2.191 5.162 5.150) 7.614 21.142 ( 1.695 -8.553 -11.096) 14.112 21.142 ( 1.695 8.553 -11.096) 14.112 21.242 ( -1.841 -13.461 -10.458) 17.145 21.242 ( -1.841 13.461 -10.458) 17.145 21.661 ( 1.412 -1.987 -1.423) 2.823 21.661 ( 1.412 1.987 -1.423) 2.823 21.735 ( -1.210 -4.197 0.081) 4.369 21.735 ( -1.210 4.197 0.081) 4.369 22.498 ( 2.877 -5.404 10.114) 11.823 22.498 ( 2.877 5.404 10.114) 11.823 22.681 ( -3.568 -10.184 9.642) 14.471 22.681 ( -3.568 10.184 9.642) 14.471 ======================= Grid point 114 (45/90) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.034 ( -10.738 -13.663 6.753) 18.644 3.034 ( 6.697 -13.003 6.753) 16.110 3.034 ( -6.697 13.003 6.753) 16.110 3.034 ( 10.738 13.663 6.753) 18.644 3.500 ( -9.208 -18.657 11.092) 23.578 3.500 ( 8.982 -18.629 11.092) 23.468 3.500 ( -8.982 18.629 11.092) 23.468 3.500 ( 9.208 18.657 11.092) 23.578 4.677 ( -5.917 -14.445 7.747) 17.427 4.677 ( 4.336 -14.304 7.747) 16.835 4.677 ( -4.336 14.304 7.747) 16.835 4.677 ( 5.917 14.445 7.747) 17.427 5.362 ( -8.330 -3.324 -4.962) 10.250 5.362 ( -7.888 3.043 -4.962) 9.803 5.362 ( 7.888 -3.043 -4.962) 9.803 5.362 ( 8.330 3.324 -4.962) 10.250 6.151 ( -2.469 -9.827 -4.166) 10.956 6.151 ( 2.300 -9.817 -4.166) 10.910 6.151 ( -2.300 9.817 -4.166) 10.910 6.151 ( 2.469 9.827 -4.166) 10.956 6.671 ( -4.840 -7.321 -2.742) 9.194 6.671 ( 3.583 -7.138 -2.742) 8.444 6.671 ( -3.583 7.138 -2.742) 8.444 6.671 ( 4.840 7.321 -2.742) 9.194 7.441 ( -3.449 -3.215 -4.595) 6.583 7.441 ( 1.870 -2.870 -4.595) 5.731 7.441 ( -1.870 2.870 -4.595) 5.731 7.441 ( 3.449 3.215 -4.595) 6.583 7.944 ( -2.233 -15.995 -2.688) 16.372 7.944 ( 1.946 -15.986 -2.688) 16.326 7.944 ( -1.946 15.986 -2.688) 16.326 7.944 ( 2.233 15.995 -2.688) 16.372 8.518 ( -13.238 -6.324 -1.975) 14.803 8.518 ( -5.418 -1.876 -1.975) 6.064 8.518 ( 5.418 1.876 -1.975) 6.064 8.518 ( 13.238 6.324 -1.975) 14.803 9.269 ( -0.565 -4.874 -4.994) 7.001 9.269 ( 0.563 -4.874 -4.994) 7.001 9.269 ( -0.563 4.874 -4.994) 7.001 9.269 ( 0.565 4.874 -4.994) 7.001 9.654 ( -1.767 -1.739 -9.529) 9.846 9.654 ( 1.283 -1.630 -9.529) 9.752 9.654 ( -1.283 1.630 -9.529) 9.752 9.654 ( 1.767 1.739 -9.529) 9.846 10.809 ( -7.550 -7.218 0.166) 10.446 10.809 ( 7.460 -7.195 0.166) 10.365 10.809 ( -7.460 7.195 0.166) 10.365 10.809 ( 7.550 7.218 0.166) 10.446 11.488 ( -3.019 -2.928 6.605) 7.831 11.488 ( 0.428 -2.518 6.605) 7.082 11.488 ( -0.428 2.518 6.605) 7.082 11.488 ( 3.019 2.928 6.605) 7.831 11.882 ( -8.795 -8.256 3.056) 12.444 11.882 ( 3.865 -7.249 3.056) 8.765 11.882 ( -3.865 7.249 3.056) 8.765 11.882 ( 8.795 8.256 3.056) 12.444 12.635 ( -6.221 -4.564 -2.448) 8.094 12.635 ( 0.776 -3.362 -2.448) 4.231 12.635 ( -0.776 3.362 -2.448) 4.231 12.635 ( 6.221 4.564 -2.448) 8.094 13.539 ( -5.703 -12.863 -3.449) 14.487 13.539 ( 5.697 -12.863 -3.449) 14.485 13.539 ( -5.697 12.863 -3.449) 14.485 13.539 ( 5.703 12.863 -3.449) 14.487 14.687 ( -3.100 -6.373 2.742) 7.599 14.687 ( 2.651 -6.322 2.742) 7.384 14.687 ( -2.651 6.322 2.742) 7.384 14.687 ( 3.100 6.373 2.742) 7.599 19.326 ( -3.317 -5.894 3.322) 7.535 19.326 ( 2.730 -5.818 3.322) 7.235 19.326 ( -2.730 5.818 3.322) 7.235 19.326 ( 3.317 5.894 3.322) 7.535 21.191 ( -2.485 -10.981 -10.722) 15.548 21.191 ( 2.484 -10.981 -10.722) 15.547 21.191 ( -2.484 10.981 -10.722) 15.547 21.191 ( 2.485 10.981 -10.722) 15.548 21.699 ( -1.812 -3.299 -0.792) 3.846 21.699 ( 1.790 -3.296 -0.792) 3.834 21.699 ( -1.790 3.296 -0.792) 3.834 21.699 ( 1.812 3.299 -0.792) 3.846 22.584 ( -4.476 -7.885 10.047) 13.533 22.584 ( 4.332 -7.865 10.047) 13.475 22.584 ( -4.332 7.865 10.047) 13.475 22.584 ( 4.476 7.885 10.047) 13.533 ======================= Grid point 135 (46/90) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 0.000 0.000 33.695) 33.695 2.265 ( 0.000 0.000 34.809) 34.809 2.851 ( 0.000 0.000 16.079) 16.079 3.174 ( 0.000 0.000 1.230) 1.230 3.469 ( 0.000 0.000 2.067) 2.067 3.611 ( 0.000 0.000 -0.635) 0.635 3.650 ( 0.000 0.000 -4.799) 4.799 3.973 ( 0.000 0.000 -13.592) 13.592 4.336 ( 0.000 0.000 53.768) 53.768 4.501 ( 0.000 0.000 13.133) 13.133 4.837 ( 0.000 0.000 -13.515) 13.515 4.928 ( 0.000 0.000 -14.724) 14.724 5.055 ( 0.000 0.000 -6.420) 6.420 5.120 ( 0.000 0.000 -12.699) 12.699 5.351 ( 0.000 0.000 -6.250) 6.250 5.521 ( 0.000 0.000 -7.496) 7.496 5.585 ( 0.000 0.000 -2.974) 2.974 5.751 ( 0.000 0.000 4.477) 4.477 6.182 ( 0.000 0.000 -0.024) 0.024 6.288 ( 0.000 0.000 -3.287) 3.287 6.425 ( 0.000 0.000 -2.374) 2.374 6.470 ( 0.000 0.000 -10.778) 10.778 6.791 ( 0.000 0.000 -2.570) 2.570 7.002 ( 0.000 0.000 -3.046) 3.046 7.021 ( 0.000 0.000 -3.294) 3.294 7.035 ( 0.000 0.000 1.166) 1.166 7.282 ( 0.000 0.000 8.077) 8.077 7.367 ( 0.000 0.000 4.722) 4.722 7.397 ( 0.000 0.000 9.435) 9.435 7.608 ( 0.000 0.000 -10.787) 10.787 7.652 ( 0.000 0.000 -7.317) 7.317 8.279 ( 0.000 0.000 -1.600) 1.600 8.314 ( 0.000 0.000 -4.759) 4.759 8.502 ( 0.000 0.000 -4.214) 4.214 8.689 ( 0.000 0.000 5.960) 5.960 8.762 ( 0.000 0.000 13.618) 13.618 8.763 ( 0.000 0.000 -0.837) 0.837 8.921 ( 0.000 0.000 3.092) 3.092 9.237 ( 0.000 0.000 -10.484) 10.484 9.600 ( 0.000 0.000 -10.058) 10.058 9.764 ( 0.000 0.000 -12.207) 12.207 9.833 ( 0.000 0.000 -5.865) 5.865 9.902 ( 0.000 0.000 -9.093) 9.093 10.155 ( 0.000 0.000 -14.043) 14.043 10.343 ( 0.000 0.000 -5.557) 5.557 10.416 ( 0.000 0.000 -8.653) 8.653 10.891 ( 0.000 0.000 -11.514) 11.514 10.932 ( 0.000 0.000 2.764) 2.764 10.938 ( 0.000 0.000 -7.771) 7.771 11.030 ( 0.000 0.000 -1.450) 1.450 11.625 ( 0.000 0.000 0.190) 0.190 11.661 ( 0.000 0.000 7.054) 7.054 11.871 ( 0.000 0.000 8.801) 8.801 11.948 ( 0.000 0.000 7.330) 7.330 11.986 ( 0.000 0.000 -3.893) 3.893 12.068 ( 0.000 0.000 -9.023) 9.023 12.396 ( 0.000 0.000 3.062) 3.062 12.743 ( 0.000 0.000 13.622) 13.622 12.780 ( 0.000 0.000 13.304) 13.304 13.048 ( 0.000 0.000 -1.739) 1.739 13.259 ( 0.000 0.000 0.077) 0.077 13.446 ( 0.000 0.000 -4.727) 4.727 13.758 ( 0.000 0.000 -6.348) 6.348 13.901 ( 0.000 0.000 -9.608) 9.608 14.291 ( 0.000 0.000 -0.227) 0.227 14.501 ( 0.000 0.000 -3.127) 3.127 14.889 ( 0.000 0.000 20.030) 20.030 16.077 ( 0.000 0.000 -8.147) 8.147 19.141 ( 0.000 0.000 5.622) 5.622 19.375 ( 0.000 0.000 8.563) 8.563 19.775 ( 0.000 0.000 -4.064) 4.064 19.998 ( 0.000 0.000 0.502) 0.502 20.079 ( 0.000 0.000 1.624) 1.624 20.097 ( 0.000 0.000 -1.820) 1.820 20.196 ( 0.000 0.000 -0.886) 0.886 20.745 ( 0.000 0.000 -19.086) 19.086 21.654 ( 0.000 0.000 0.442) 0.442 21.727 ( 0.000 0.000 -2.053) 2.053 21.817 ( 0.000 0.000 -0.211) 0.211 21.852 ( 0.000 0.000 -2.266) 2.266 22.504 ( 0.000 0.000 9.893) 9.893 22.569 ( 0.000 0.000 8.700) 8.700 23.061 ( 0.000 0.000 11.934) 11.934 23.767 ( 0.000 0.000 -7.024) 7.024 ======================= Grid point 136 (47/90) ======================= q-point: ( 0.25 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 7.764 0.000 30.971) 31.930 2.414 ( 12.128 0.000 30.824) 33.124 2.765 ( -7.575 0.000 19.074) 20.523 3.038 ( -10.992 0.000 10.804) 15.413 3.478 ( 0.357 0.000 -5.174) 5.186 3.585 ( -4.320 0.000 -7.144) 8.348 3.656 ( 4.419 0.000 -2.890) 5.280 3.931 ( -4.060 0.000 -11.205) 11.918 4.447 ( 9.584 0.000 48.870) 49.801 4.585 ( 7.111 0.000 14.799) 16.419 4.820 ( -0.921 0.000 -13.521) 13.553 4.876 ( -3.402 0.000 -13.529) 13.950 5.047 ( -0.435 0.000 -6.358) 6.373 5.304 ( 12.261 0.000 -5.201) 13.319 5.401 ( -14.926 0.000 1.288) 14.982 5.440 ( 8.177 0.000 -11.368) 14.004 5.658 ( 7.769 0.000 -9.049) 11.927 5.718 ( -3.821 0.000 5.846) 6.984 6.173 ( 0.636 0.000 -2.894) 2.963 6.182 ( -5.729 0.000 -2.635) 6.306 6.314 ( -6.038 0.000 -3.385) 6.922 6.422 ( -6.047 0.000 -3.730) 7.105 6.717 ( -5.515 0.000 -4.039) 6.835 6.803 ( -10.945 0.000 -4.641) 11.888 7.064 ( 2.956 0.000 -0.395) 2.982 7.173 ( 6.468 0.000 -3.401) 7.307 7.242 ( -3.065 0.000 7.606) 8.200 7.320 ( -1.939 0.000 0.793) 2.095 7.405 ( 2.686 0.000 2.495) 3.666 7.584 ( -4.907 0.000 -7.058) 8.596 7.865 ( 14.899 0.000 -4.670) 15.614 8.283 ( -3.266 0.000 -5.722) 6.589 8.330 ( 3.706 0.000 -1.102) 3.866 8.474 ( -2.214 0.000 -2.640) 3.445 8.708 ( 1.367 0.000 4.272) 4.485 8.756 ( -0.598 0.000 0.012) 0.598 8.812 ( 3.603 0.000 11.564) 12.112 8.923 ( -0.310 0.000 5.030) 5.040 9.349 ( 8.891 0.000 -9.557) 13.053 9.663 ( 5.142 0.000 -11.030) 12.169 9.748 ( -5.989 0.000 -5.610) 8.206 9.828 ( 4.563 0.000 -13.921) 14.650 9.880 ( -2.204 0.000 -10.205) 10.440 10.112 ( -4.148 0.000 -15.135) 15.693 10.338 ( -0.210 0.000 -5.509) 5.513 10.387 ( -2.156 0.000 -6.872) 7.202 10.951 ( 1.505 0.000 1.924) 2.443 10.955 ( 4.997 0.000 -11.653) 12.679 10.978 ( 3.289 0.000 -8.392) 9.013 11.018 ( -0.987 0.000 -0.904) 1.339 11.475 ( -6.555 0.000 2.602) 7.052 11.619 ( -8.686 0.000 -1.434) 8.804 11.881 ( 0.862 0.000 8.607) 8.650 11.936 ( -1.041 0.000 7.560) 7.631 11.974 ( 5.734 0.000 0.870) 5.800 12.193 ( 1.119 0.000 -7.965) 8.043 12.476 ( 9.226 0.000 3.961) 10.040 12.749 ( 0.532 0.000 13.555) 13.566 12.776 ( -0.397 0.000 13.332) 13.338 13.069 ( -12.398 0.000 -0.565) 12.410 13.117 ( 5.223 0.000 -1.937) 5.571 13.442 ( -3.594 0.000 -4.807) 6.002 13.779 ( 1.812 0.000 -6.872) 7.107 13.880 ( -1.753 0.000 -9.172) 9.338 14.295 ( 1.983 0.000 1.665) 2.590 14.479 ( -2.711 0.000 -0.072) 2.712 15.046 ( 13.102 0.000 14.898) 19.840 15.855 ( -17.476 0.000 -1.471) 17.538 19.175 ( 3.007 0.000 6.317) 6.996 19.347 ( -2.749 0.000 8.881) 9.297 19.974 ( 15.758 0.000 -10.481) 18.925 20.004 ( 0.534 0.000 0.479) 0.718 20.050 ( -1.466 0.000 0.471) 1.540 20.129 ( 1.695 0.000 -0.695) 1.832 20.188 ( -0.751 0.000 -0.837) 1.125 20.644 ( -9.022 0.000 -19.079) 21.105 21.663 ( 0.816 0.000 0.173) 0.834 21.715 ( -1.009 0.000 -1.609) 1.900 21.821 ( 0.339 0.000 -0.275) 0.437 21.845 ( -0.513 0.000 -1.821) 1.892 22.520 ( 1.241 0.000 9.815) 9.893 22.568 ( -0.292 0.000 9.011) 9.016 23.133 ( 6.613 0.000 10.031) 12.014 23.628 ( -11.112 0.000 -2.657) 11.425 ======================= Grid point 137 (48/90) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( -11.189 0.000 25.011) 27.400 2.543 ( 11.189 0.000 25.011) 27.400 2.734 ( -15.156 0.000 21.796) 26.547 2.734 ( 15.156 0.000 21.796) 26.547 3.504 ( -2.474 0.000 -8.245) 8.609 3.504 ( 2.474 0.000 -8.245) 8.609 3.797 ( -7.251 0.000 -6.778) 9.925 3.797 ( 7.251 0.000 -6.778) 9.925 4.674 ( -5.371 0.000 30.728) 31.194 4.674 ( 5.371 0.000 30.728) 31.194 4.821 ( -1.224 0.000 -13.681) 13.736 4.821 ( 1.224 0.000 -13.681) 13.736 5.073 ( -8.738 0.000 1.387) 8.848 5.073 ( 8.738 0.000 1.387) 8.848 5.567 ( -9.877 0.000 1.106) 9.939 5.567 ( 9.877 0.000 1.106) 9.939 5.653 ( -8.357 0.000 -14.672) 16.885 5.653 ( 8.357 0.000 -14.672) 16.885 6.222 ( -9.199 0.000 1.997) 9.413 6.222 ( 9.199 0.000 1.997) 9.413 6.228 ( -3.195 0.000 -5.271) 6.164 6.228 ( 3.195 0.000 -5.271) 6.164 6.636 ( -1.220 0.000 -5.215) 5.356 6.636 ( 1.220 0.000 -5.215) 5.356 7.155 ( -4.493 0.000 2.811) 5.299 7.155 ( 4.493 0.000 2.811) 5.299 7.279 ( -2.905 0.000 -2.499) 3.832 7.279 ( 2.905 0.000 -2.499) 3.832 7.479 ( -4.058 0.000 -2.926) 5.003 7.479 ( 4.058 0.000 -2.926) 5.003 8.145 ( -9.451 0.000 -5.704) 11.039 8.145 ( 9.451 0.000 -5.704) 11.039 8.412 ( -3.342 0.000 -1.115) 3.523 8.412 ( 3.342 0.000 -1.115) 3.523 8.737 ( -1.129 0.000 1.911) 2.219 8.737 ( 1.129 0.000 1.911) 2.219 8.889 ( -2.804 0.000 8.426) 8.880 8.889 ( 2.804 0.000 8.426) 8.880 9.566 ( -9.551 0.000 -7.239) 11.985 9.566 ( 9.551 0.000 -7.239) 11.985 9.792 ( -5.540 0.000 -11.756) 12.996 9.792 ( 5.540 0.000 -11.756) 12.996 9.975 ( -7.430 0.000 -15.472) 17.164 9.975 ( 7.430 0.000 -15.472) 17.164 10.346 ( -1.138 0.000 -5.192) 5.315 10.346 ( 1.138 0.000 -5.192) 5.315 10.988 ( -1.640 0.000 0.408) 1.690 10.988 ( 1.640 0.000 0.408) 1.690 11.035 ( -0.622 0.000 -10.609) 10.627 11.035 ( 0.622 0.000 -10.609) 10.627 11.436 ( -4.711 0.000 -0.318) 4.721 11.436 ( 4.711 0.000 -0.318) 4.721 11.907 ( -1.360 0.000 8.100) 8.213 11.907 ( 1.360 0.000 8.100) 8.213 12.120 ( -5.939 0.000 -1.163) 6.052 12.120 ( 5.939 0.000 -1.163) 6.052 12.757 ( -14.224 0.000 0.968) 14.257 12.757 ( 14.224 0.000 0.968) 14.257 12.764 ( -0.652 0.000 13.425) 13.441 12.764 ( 0.652 0.000 13.425) 13.441 13.288 ( -8.677 0.000 -4.055) 9.578 13.288 ( 8.677 0.000 -4.055) 9.578 13.830 ( -2.518 0.000 -8.066) 8.450 13.830 ( 2.518 0.000 -8.066) 8.450 14.385 ( -5.064 0.000 2.244) 5.539 14.385 ( 5.064 0.000 2.244) 5.539 15.420 ( -19.448 0.000 7.835) 20.967 15.420 ( 19.448 0.000 7.835) 20.967 19.262 ( -4.384 0.000 7.843) 8.985 19.262 ( 4.384 0.000 7.843) 8.985 20.021 ( -1.051 0.000 0.434) 1.137 20.021 ( 1.051 0.000 0.434) 1.137 20.164 ( -1.366 0.000 -0.727) 1.547 20.164 ( 1.366 0.000 -0.727) 1.547 20.355 ( -16.251 0.000 -17.265) 23.710 20.355 ( 16.251 0.000 -17.265) 23.710 21.687 ( -1.300 0.000 -0.610) 1.436 21.687 ( 1.300 0.000 -0.610) 1.436 21.832 ( -0.608 0.000 -0.888) 1.076 21.832 ( 0.608 0.000 -0.888) 1.076 22.550 ( -1.235 0.000 9.549) 9.628 22.550 ( 1.235 0.000 9.549) 9.628 23.350 ( -12.219 0.000 4.778) 13.120 23.350 ( 12.219 0.000 4.778) 13.120 ======================= Grid point 140 (49/90) ======================= q-point: ( 0.00 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 0.000 3.748 32.251) 32.468 2.435 ( 0.000 18.807 30.502) 35.834 3.050 ( 0.000 17.866 16.208) 24.122 3.182 ( 0.000 1.312 2.189) 2.553 3.473 ( 0.000 0.663 1.391) 1.541 3.508 ( 0.000 -5.358 -3.124) 6.202 3.767 ( 0.000 7.283 1.198) 7.381 3.964 ( 0.000 -1.317 -7.043) 7.165 4.445 ( 0.000 9.541 41.957) 43.028 4.563 ( 0.000 6.195 6.655) 9.093 4.955 ( 0.000 5.833 -3.924) 7.030 4.971 ( 0.000 0.522 -9.295) 9.309 5.022 ( 0.000 1.858 -3.679) 4.122 5.139 ( 0.000 4.479 -10.219) 11.158 5.246 ( 0.000 -6.097 -9.204) 11.040 5.502 ( 0.000 -1.558 -7.492) 7.652 5.652 ( 0.000 -7.849 -0.122) 7.850 5.673 ( 0.000 4.910 -4.722) 6.812 6.141 ( 0.000 -6.178 -3.016) 6.875 6.275 ( 0.000 1.652 3.118) 3.528 6.317 ( 0.000 -5.015 -10.346) 11.497 6.650 ( 0.000 10.377 -1.938) 10.556 6.768 ( 0.000 -5.197 -5.283) 7.411 6.898 ( 0.000 -12.047 -3.279) 12.485 6.923 ( 0.000 -0.982 -9.942) 9.990 7.106 ( 0.000 5.576 5.894) 8.114 7.231 ( 0.000 0.157 8.101) 8.102 7.358 ( 0.000 -6.113 -9.074) 10.941 7.428 ( 0.000 2.104 2.409) 3.198 7.632 ( 0.000 15.176 6.986) 16.707 7.876 ( 0.000 5.189 -6.120) 8.023 8.230 ( 0.000 -3.905 0.871) 4.001 8.329 ( 0.000 1.694 -4.230) 4.557 8.477 ( 0.000 0.402 -4.033) 4.053 8.703 ( 0.000 2.206 3.832) 4.421 8.802 ( 0.000 3.903 -2.213) 4.487 8.814 ( 0.000 3.320 9.360) 9.931 8.968 ( 0.000 3.647 0.886) 3.753 9.239 ( 0.000 0.359 -9.539) 9.546 9.570 ( 0.000 -16.418 -10.006) 19.227 9.577 ( 0.000 -2.503 -10.157) 10.461 9.783 ( 0.000 -3.747 -7.568) 8.445 9.943 ( 0.000 -0.812 -11.983) 12.010 9.959 ( 0.000 -13.470 -8.802) 16.091 10.384 ( 0.000 -0.831 -3.570) 3.665 10.529 ( 0.000 12.639 -9.343) 15.717 10.862 ( 0.000 -1.508 -1.610) 2.205 10.979 ( 0.000 1.253 -6.235) 6.359 11.042 ( 0.000 7.440 -4.907) 8.912 11.077 ( 0.000 8.253 -2.336) 8.577 11.611 ( 0.000 -0.340 2.141) 2.168 11.627 ( 0.000 -3.312 5.932) 6.794 11.841 ( 0.000 -1.884 7.385) 7.621 11.947 ( 0.000 -3.087 -1.730) 3.539 12.079 ( 0.000 10.123 2.327) 10.387 12.117 ( 0.000 3.027 -3.056) 4.301 12.452 ( 0.000 6.070 -2.165) 6.444 12.662 ( 0.000 -6.914 10.843) 12.860 12.750 ( 0.000 -2.642 13.918) 14.167 12.981 ( 0.000 -6.569 -0.941) 6.637 13.268 ( 0.000 0.699 1.097) 1.300 13.352 ( 0.000 -8.981 -4.194) 9.912 13.732 ( 0.000 -2.348 -5.009) 5.532 13.942 ( 0.000 3.370 -9.677) 10.247 14.347 ( 0.000 4.873 -0.905) 4.956 14.533 ( 0.000 2.979 -2.206) 3.707 14.830 ( 0.000 -5.470 17.827) 18.647 15.865 ( 0.000 -19.095 -3.566) 19.426 19.137 ( 0.000 -0.041 5.099) 5.099 19.374 ( 0.000 -0.209 7.541) 7.544 19.674 ( 0.000 -7.341 -1.332) 7.461 19.946 ( 0.000 -6.975 1.216) 7.080 20.225 ( 0.000 10.707 -2.409) 10.975 20.247 ( 0.000 17.194 -4.120) 17.681 20.305 ( 0.000 10.126 -2.921) 10.539 20.838 ( 0.000 8.238 -18.222) 19.998 21.654 ( 0.000 0.004 0.195) 0.195 21.722 ( 0.000 -0.558 -1.694) 1.784 21.794 ( 0.000 -2.248 -0.001) 2.248 21.850 ( 0.000 -0.186 -1.989) 1.997 22.521 ( 0.000 1.742 9.642) 9.798 22.567 ( 0.000 -0.127 8.876) 8.877 23.026 ( 0.000 -3.386 11.799) 12.276 23.663 ( 0.000 -9.901 -4.348) 10.813 ======================= Grid point 141 (50/90) ======================= q-point: ( 0.25 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 10.465 3.627 29.870) 31.858 2.522 ( 7.382 16.591 27.153) 32.665 2.940 ( -8.445 15.004 17.802) 24.766 3.049 ( -10.732 1.609 9.774) 14.604 3.463 ( 0.166 -1.506 -3.357) 3.683 3.545 ( -0.338 -1.410 -5.352) 5.545 3.745 ( 0.762 6.821 -0.282) 6.869 3.938 ( -2.976 0.215 -5.991) 6.693 4.550 ( 8.762 8.888 35.425) 37.560 4.643 ( 7.283 5.900 11.885) 15.136 4.906 ( -2.594 -0.755 -2.831) 3.914 4.930 ( -2.345 8.816 -9.836) 13.416 5.072 ( -1.810 4.909 -9.897) 11.195 5.158 ( 6.712 -7.988 0.229) 10.436 5.340 ( -1.214 -1.915 -8.269) 8.574 5.542 ( 0.568 -2.173 -5.235) 5.696 5.610 ( -0.606 -2.694 -4.751) 5.495 5.700 ( 5.251 3.209 -1.468) 6.327 6.053 ( -5.016 -5.192 -3.066) 7.843 6.219 ( -2.078 -6.132 -3.843) 7.529 6.297 ( -4.285 -1.311 -2.575) 5.168 6.454 ( -8.359 6.746 -4.394) 11.606 6.710 ( -7.678 -6.459 -6.129) 11.757 6.836 ( -1.625 6.820 -1.746) 7.225 7.084 ( 5.331 -3.080 -4.844) 7.834 7.107 ( 2.549 1.547 2.170) 3.688 7.219 ( -0.617 -2.666 1.890) 3.326 7.296 ( -4.413 1.293 -1.653) 4.886 7.495 ( 4.924 5.938 -0.013) 7.715 7.693 ( -0.216 8.335 0.959) 8.393 7.925 ( 7.653 3.325 -4.468) 9.465 8.267 ( 0.006 -2.261 -2.347) 3.259 8.309 ( 0.217 -0.752 -1.969) 2.119 8.447 ( -2.267 0.005 -2.954) 3.724 8.724 ( 1.662 2.220 2.907) 4.018 8.791 ( -0.857 3.430 -0.868) 3.640 8.863 ( 3.404 3.461 7.822) 9.206 8.969 ( -0.407 3.507 2.798) 4.505 9.310 ( 5.863 -3.572 -8.817) 11.175 9.567 ( -1.437 -14.950 -8.005) 17.019 9.636 ( 4.612 -3.374 -11.026) 12.419 9.758 ( -0.611 -4.896 -10.410) 11.520 9.904 ( -2.349 -3.734 -12.837) 13.574 9.960 ( -1.351 -9.382 -11.460) 14.872 10.376 ( -0.039 0.405 -2.900) 2.928 10.493 ( -3.363 10.684 -7.194) 13.312 10.869 ( 1.778 -3.126 -3.257) 4.852 10.996 ( -2.514 3.189 -3.706) 5.498 11.057 ( 5.406 4.896 -4.789) 8.725 11.146 ( 3.973 10.889 -3.660) 12.155 11.484 ( -5.920 1.068 2.941) 6.697 11.602 ( -6.109 -1.324 0.559) 6.276 11.847 ( 1.104 -2.232 7.044) 7.471 11.901 ( -1.272 -1.801 5.535) 5.958 12.119 ( 3.505 9.859 0.189) 10.465 12.229 ( 3.923 1.338 -7.273) 8.371 12.475 ( 3.788 2.262 1.898) 4.803 12.665 ( -0.240 -7.081 10.384) 12.571 12.748 ( 0.522 -2.446 12.950) 13.189 13.045 ( 0.590 -4.670 -2.647) 5.400 13.084 ( -6.313 -1.966 2.383) 7.029 13.366 ( -2.980 -6.325 -3.405) 7.777 13.774 ( 3.173 -0.823 -5.939) 6.784 13.915 ( -2.345 2.789 -9.122) 9.823 14.343 ( 1.294 4.341 1.238) 4.696 14.508 ( -2.832 2.641 0.865) 3.967 14.979 ( 12.173 -6.232 12.772) 18.712 15.686 ( -14.363 -15.485 0.730) 21.133 19.175 ( 3.243 0.207 5.799) 6.648 19.350 ( -2.517 0.301 8.299) 8.678 19.756 ( 6.053 -10.918 -2.815) 12.797 19.930 ( -1.436 -8.104 0.676) 8.258 20.231 ( 0.557 10.338 -2.073) 10.558 20.255 ( 0.020 11.349 -2.849) 11.701 20.364 ( 6.031 16.334 -7.715) 19.045 20.760 ( -6.784 9.918 -17.861) 21.527 21.664 ( 0.818 0.005 0.001) 0.818 21.712 ( -0.853 -0.375 -1.351) 1.641 21.800 ( 0.527 -2.024 -0.102) 2.093 21.839 ( -0.865 -0.585 -1.591) 1.903 22.533 ( 0.955 1.318 9.671) 9.807 22.569 ( -0.064 0.222 9.118) 9.121 23.093 ( 6.078 -3.962 10.049) 12.394 23.541 ( -9.859 -8.395 -0.859) 12.977 ======================= Grid point 142 (51/90) ======================= q-point: (-0.50 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( -6.453 9.183 23.702) 26.225 2.667 ( 6.453 9.183 23.702) 26.225 2.790 ( -6.922 7.753 19.447) 22.051 2.790 ( 6.922 7.753 19.447) 22.051 3.492 ( -2.570 -0.940 -6.768) 7.301 3.492 ( 2.570 -0.940 -6.768) 7.301 3.831 ( -5.626 3.213 -2.441) 6.924 3.831 ( 5.626 3.213 -2.441) 6.924 4.745 ( -4.835 6.364 20.149) 21.676 4.745 ( 4.835 6.364 20.149) 21.676 4.906 ( -1.992 5.310 -7.341) 9.277 4.906 ( 1.992 5.310 -7.341) 9.277 5.061 ( -7.191 0.303 1.825) 7.425 5.061 ( 7.191 0.303 1.825) 7.425 5.414 ( -8.516 -7.132 -5.032) 12.195 5.414 ( 8.516 -7.132 -5.032) 12.195 5.741 ( -5.146 3.004 -3.554) 6.938 5.741 ( 5.146 3.004 -3.554) 6.938 6.086 ( -9.316 -6.555 -5.229) 12.534 6.086 ( 9.316 -6.555 -5.229) 12.534 6.293 ( -7.893 -0.333 -7.078) 10.607 6.293 ( 7.893 -0.333 -7.078) 10.607 6.705 ( -6.725 6.388 0.168) 9.277 6.705 ( 6.725 6.388 0.168) 9.277 7.177 ( -3.857 -1.724 -4.584) 6.234 7.177 ( 3.857 -1.724 -4.584) 6.234 7.199 ( -3.216 0.142 2.879) 4.318 7.199 ( 3.216 0.142 2.879) 4.318 7.613 ( -5.152 8.265 -2.908) 10.164 7.613 ( 5.152 8.265 -2.908) 10.164 8.141 ( -8.926 -0.297 -4.114) 9.833 8.141 ( 8.926 -0.297 -4.114) 9.833 8.382 ( -3.594 -1.527 -1.089) 4.054 8.382 ( 3.594 -1.527 -1.089) 4.054 8.763 ( -1.606 2.738 1.096) 3.358 8.763 ( 1.606 2.738 1.096) 3.358 8.935 ( -2.614 3.409 5.682) 7.123 8.935 ( 2.614 3.409 5.682) 7.123 9.463 ( -6.910 -9.815 -6.828) 13.809 9.463 ( 6.910 -9.815 -6.828) 13.809 9.742 ( -3.521 -4.947 -12.083) 13.523 9.742 ( 3.521 -4.947 -12.083) 13.523 9.897 ( -3.051 -6.828 -14.599) 16.404 9.897 ( 3.051 -6.828 -14.599) 16.404 10.409 ( -3.145 4.957 -3.481) 6.825 10.409 ( 3.145 4.957 -3.481) 6.825 10.932 ( -3.195 -0.679 -3.982) 5.150 10.932 ( 3.195 -0.679 -3.982) 5.150 11.170 ( -3.360 8.765 -3.345) 9.965 11.170 ( 3.360 8.765 -3.345) 9.965 11.453 ( -4.630 1.853 -0.022) 4.987 11.453 ( 4.630 1.853 -0.022) 4.987 11.876 ( -1.249 -2.633 7.651) 8.187 11.876 ( 1.249 -2.633 7.651) 8.187 12.211 ( -3.842 6.923 -4.355) 9.037 12.211 ( 3.842 6.923 -4.355) 9.037 12.613 ( -5.331 -7.050 7.116) 11.348 12.613 ( 5.331 -7.050 7.116) 11.348 12.828 ( -7.849 0.241 6.416) 10.141 12.828 ( 7.849 0.241 6.416) 10.141 13.229 ( -8.072 -5.210 -2.508) 9.929 13.229 ( 8.072 -5.210 -2.508) 9.929 13.849 ( -3.305 1.326 -7.707) 8.490 13.849 ( 3.305 1.326 -7.707) 8.490 14.418 ( -4.565 3.084 2.503) 6.051 14.418 ( 4.565 3.084 2.503) 6.051 15.316 ( -17.027 -9.718 7.195) 20.884 15.316 ( 17.027 -9.718 7.195) 20.884 19.267 ( -4.466 0.496 7.399) 8.657 19.267 ( 4.466 0.496 7.399) 8.657 19.874 ( -3.832 -10.995 -1.123) 11.697 19.874 ( 3.832 -10.995 -1.123) 11.697 20.246 ( -0.676 9.551 -2.038) 9.790 20.246 ( 0.676 9.551 -2.038) 9.790 20.560 ( -10.231 14.674 -14.990) 23.338 20.560 ( 10.231 14.674 -14.990) 23.338 21.688 ( -1.222 -0.087 -0.580) 1.355 21.688 ( 1.222 -0.087 -0.580) 1.355 21.817 ( -0.958 -1.400 -0.722) 1.844 21.817 ( 0.958 -1.400 -0.722) 1.844 22.557 ( -0.982 0.729 9.549) 9.627 22.557 ( 0.982 0.729 9.549) 9.627 23.291 ( -11.096 -5.735 5.370) 13.596 23.291 ( 11.096 -5.735 5.370) 13.596 ======================= Grid point 145 (52/90) ======================= q-point: ( 0.00 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( 0.000 11.621 27.031) 29.424 2.857 ( 0.000 21.869 25.868) 33.873 3.231 ( 0.000 2.835 3.931) 4.847 3.419 ( 0.000 -3.145 -3.140) 4.444 3.437 ( 0.000 15.307 14.325) 20.964 3.515 ( 0.000 7.666 0.405) 7.676 3.915 ( 0.000 -3.529 4.223) 5.503 3.937 ( 0.000 9.858 2.657) 10.210 4.589 ( 0.000 1.413 16.256) 16.318 4.698 ( 0.000 4.304 -12.069) 12.814 4.914 ( 0.000 -0.170 20.199) 20.200 4.919 ( 0.000 -2.371 11.474) 11.717 5.128 ( 0.000 0.345 -2.862) 2.883 5.180 ( 0.000 -4.115 2.198) 4.665 5.331 ( 0.000 13.750 -13.567) 19.316 5.514 ( 0.000 -6.397 -7.955) 10.208 5.601 ( 0.000 14.599 -16.203) 21.810 5.705 ( 0.000 -2.132 -4.788) 5.241 5.986 ( 0.000 -7.261 2.660) 7.733 6.226 ( 0.000 -4.644 -11.465) 12.370 6.372 ( 0.000 8.557 2.446) 8.899 6.556 ( 0.000 -16.558 -3.834) 16.996 6.651 ( 0.000 -4.152 -8.876) 9.799 6.875 ( 0.000 8.140 -2.482) 8.510 6.989 ( 0.000 6.206 -13.660) 15.003 7.247 ( 0.000 8.287 3.591) 9.032 7.278 ( 0.000 4.387 5.255) 6.845 7.308 ( 0.000 0.209 -2.329) 2.339 7.494 ( 0.000 3.585 -0.879) 3.691 7.810 ( 0.000 -8.502 -4.282) 9.520 7.862 ( 0.000 5.698 5.704) 8.062 8.196 ( 0.000 2.184 3.081) 3.777 8.323 ( 0.000 -3.958 -4.179) 5.756 8.588 ( 0.000 8.262 -3.393) 8.932 8.747 ( 0.000 -0.093 0.214) 0.233 8.867 ( 0.000 4.167 0.728) 4.230 8.898 ( 0.000 4.343 -6.216) 7.583 9.026 ( 0.000 -0.373 -0.236) 0.442 9.203 ( 0.000 -15.914 -10.177) 18.889 9.262 ( 0.000 2.077 -5.887) 6.243 9.503 ( 0.000 -4.626 -10.689) 11.647 9.685 ( 0.000 -5.998 -6.858) 9.111 9.699 ( 0.000 -12.239 -6.010) 13.635 9.828 ( 0.000 -10.092 -13.486) 16.844 10.442 ( 0.000 6.292 2.489) 6.766 10.729 ( 0.000 4.772 -4.086) 6.282 10.916 ( 0.000 8.995 -2.705) 9.394 10.964 ( 0.000 0.223 -1.023) 1.047 11.237 ( 0.000 7.464 -2.456) 7.857 11.263 ( 0.000 11.643 -5.019) 12.678 11.547 ( 0.000 -4.194 3.842) 5.687 11.619 ( 0.000 -0.426 0.492) 0.651 11.806 ( 0.000 -1.943 7.197) 7.455 11.861 ( 0.000 -3.787 3.009) 4.837 12.176 ( 0.000 3.754 1.924) 4.218 12.247 ( 0.000 3.200 3.986) 5.112 12.540 ( 0.000 -2.284 -3.668) 4.321 12.551 ( 0.000 -1.977 1.892) 2.736 12.767 ( 0.000 8.604 9.864) 13.090 12.817 ( 0.000 -9.018 -0.869) 9.060 13.129 ( 0.000 -12.777 -3.825) 13.337 13.293 ( 0.000 2.629 1.580) 3.068 13.666 ( 0.000 -4.718 -1.933) 5.099 13.983 ( 0.000 -0.640 -7.896) 7.922 14.450 ( 0.000 5.076 -1.785) 5.380 14.606 ( 0.000 4.251 -0.092) 4.252 14.708 ( 0.000 -5.928 10.968) 12.468 15.446 ( 0.000 -21.134 1.348) 21.177 19.147 ( 0.000 1.091 3.997) 4.143 19.361 ( 0.000 -1.361 3.835) 4.069 19.549 ( 0.000 -4.689 3.863) 6.075 19.789 ( 0.000 -8.024 3.121) 8.610 20.481 ( 0.000 14.759 -4.241) 15.356 20.538 ( 0.000 12.506 -5.434) 13.635 20.605 ( 0.000 16.565 -11.613) 20.230 21.019 ( 0.000 9.018 -17.111) 19.342 21.650 ( 0.000 -0.497 -0.341) 0.602 21.700 ( 0.000 -1.789 -0.599) 1.886 21.741 ( 0.000 -2.685 0.945) 2.847 21.844 ( 0.000 -0.470 -1.220) 1.307 22.570 ( 0.000 0.600 9.273) 9.292 22.576 ( 0.000 3.924 8.910) 9.735 22.935 ( 0.000 -5.638 11.433) 12.748 23.415 ( 0.000 -14.355 0.693) 14.372 ======================= Grid point 146 (53/90) ======================= q-point: ( 0.25 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( 8.946 9.591 24.087) 27.426 2.908 ( 4.087 20.160 23.585) 31.295 3.110 ( -10.144 4.143 7.732) 13.411 3.220 ( -9.017 9.375 7.829) 15.182 3.444 ( -0.757 0.623 1.642) 1.912 3.571 ( -1.398 5.395 1.693) 5.825 3.905 ( -0.902 8.873 2.106) 9.164 3.925 ( -0.050 -1.557 4.109) 4.394 4.656 ( 4.940 -2.629 10.891) 12.244 4.768 ( 6.056 5.675 -4.745) 9.560 4.904 ( 2.175 5.407 19.901) 20.737 4.951 ( -1.521 -8.909 7.417) 11.692 5.044 ( -1.925 0.495 -7.072) 7.346 5.223 ( -1.038 -3.332 -0.134) 3.493 5.366 ( 3.327 10.187 -7.686) 13.188 5.533 ( -1.740 5.471 -3.871) 6.924 5.676 ( 6.382 9.781 -11.421) 16.335 5.756 ( 4.019 1.463 -7.957) 9.033 5.891 ( -4.306 -10.521 2.497) 11.639 6.156 ( -2.666 -1.021 -9.495) 9.914 6.281 ( -9.899 3.459 -2.303) 10.736 6.494 ( -7.260 -6.618 -9.442) 13.626 6.628 ( 3.756 1.319 -1.336) 4.199 6.884 ( 0.462 -1.054 -3.264) 3.461 7.109 ( 5.377 6.108 -5.547) 9.848 7.197 ( -1.065 4.397 -0.243) 4.531 7.225 ( -2.685 5.428 0.333) 6.065 7.347 ( -0.676 3.312 0.334) 3.397 7.578 ( 6.101 2.442 -1.976) 6.863 7.761 ( -2.193 -3.529 -0.815) 4.234 7.987 ( 7.723 4.105 1.884) 8.947 8.231 ( 3.281 0.299 0.055) 3.295 8.286 ( -2.599 -2.277 -2.535) 4.286 8.541 ( -4.339 7.122 -3.318) 8.975 8.779 ( 2.282 0.618 -0.136) 2.368 8.858 ( -0.989 1.405 -2.784) 3.272 8.908 ( 1.362 3.025 -1.560) 3.666 9.010 ( -1.507 -2.039 0.023) 2.536 9.203 ( 0.939 -9.288 -7.096) 11.726 9.287 ( 0.505 -5.377 -6.188) 8.214 9.544 ( 3.464 -5.669 -11.457) 13.244 9.636 ( -1.367 -7.020 -8.708) 11.268 9.729 ( 0.186 -9.617 -8.990) 13.165 9.796 ( -2.734 -10.264 -13.202) 16.944 10.442 ( 0.950 6.162 1.912) 6.521 10.682 ( -7.885 8.093 -3.374) 11.792 10.834 ( 3.822 -0.546 -1.066) 4.005 11.088 ( -2.538 5.797 -0.522) 6.350 11.181 ( 5.170 7.194 -4.138) 9.778 11.367 ( 4.368 10.553 -2.104) 11.613 11.499 ( -3.391 -0.453 2.188) 4.060 11.594 ( -2.498 1.071 0.543) 2.771 11.809 ( 0.316 -2.353 6.926) 7.321 11.845 ( -1.162 -2.461 4.462) 5.226 12.208 ( 2.566 -1.076 0.056) 2.783 12.261 ( 0.855 0.996 1.721) 2.164 12.539 ( 0.492 -0.468 -1.611) 1.748 12.577 ( 1.180 -0.975 0.698) 1.682 12.706 ( -1.035 0.204 7.089) 7.167 12.948 ( 5.593 -1.836 0.204) 5.890 12.992 ( -7.028 -7.641 0.661) 10.402 13.276 ( -3.271 -0.786 -0.145) 3.368 13.732 ( 4.932 -3.992 -3.072) 7.050 13.943 ( -3.345 -1.135 -7.118) 7.946 14.442 ( 0.711 5.281 0.381) 5.342 14.574 ( -2.829 4.099 2.410) 5.532 14.834 ( 9.779 -7.541 6.836) 14.115 15.336 ( -9.095 -18.090 2.687) 20.426 19.189 ( 3.507 1.230 4.721) 6.009 19.359 ( -1.407 0.498 6.349) 6.522 19.574 ( 2.951 -7.601 0.848) 8.197 19.758 ( -2.773 -8.562 2.298) 9.288 20.483 ( 0.168 14.538 -4.292) 15.160 20.509 ( -1.312 13.575 -5.424) 14.678 20.688 ( 5.866 14.747 -12.488) 20.195 20.967 ( -4.458 9.919 -16.656) 19.892 21.659 ( 0.740 -0.540 -0.300) 0.964 21.694 ( -0.513 -1.479 -0.421) 1.621 21.752 ( 1.034 -2.473 0.586) 2.744 21.826 ( -1.541 -0.801 -0.986) 1.997 22.568 ( 0.405 1.836 9.469) 9.654 22.590 ( 0.372 2.663 9.080) 9.469 22.987 ( 4.723 -6.606 10.056) 12.925 23.327 ( -7.197 -12.580 2.670) 14.737 ======================= Grid point 147 (54/90) ======================= q-point: (-0.50 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( -13.549 7.070 16.547) 22.524 2.809 ( 13.549 7.070 16.547) 22.524 3.049 ( -6.441 14.313 16.259) 22.599 3.049 ( 6.441 14.313 16.259) 22.599 3.479 ( -4.185 0.014 -0.956) 4.293 3.479 ( 4.185 0.014 -0.956) 4.293 3.908 ( -0.957 3.992 4.021) 5.746 3.908 ( 0.957 3.992 4.021) 5.746 4.786 ( -6.763 -5.626 8.039) 11.917 4.786 ( 6.763 -5.626 8.039) 11.917 4.955 ( -6.445 4.342 -3.277) 8.434 4.955 ( 6.445 4.342 -3.277) 8.434 5.099 ( -8.667 -0.075 3.937) 9.519 5.099 ( 8.667 -0.075 3.937) 9.519 5.443 ( -4.683 8.689 -2.174) 10.107 5.443 ( 4.683 8.689 -2.174) 10.107 5.782 ( -2.646 1.758 0.243) 3.186 5.782 ( 2.646 1.758 0.243) 3.186 5.992 ( -11.986 0.101 -8.249) 14.551 5.992 ( 11.986 0.101 -8.249) 14.551 6.266 ( -10.451 -1.417 -12.352) 16.241 6.266 ( 10.451 -1.417 -12.352) 16.241 6.797 ( -8.183 0.966 2.179) 8.523 6.797 ( 8.183 0.966 2.179) 8.523 7.163 ( -2.501 3.261 -4.058) 5.775 7.163 ( 2.501 3.261 -4.058) 5.775 7.277 ( -4.830 5.185 0.434) 7.099 7.277 ( 4.830 5.185 0.434) 7.099 7.697 ( -4.007 -0.066 -2.309) 4.625 7.697 ( 4.007 -0.066 -2.309) 4.625 8.154 ( -6.691 1.863 -0.908) 7.005 8.154 ( 6.691 1.863 -0.908) 7.005 8.398 ( -7.935 2.742 -2.235) 8.688 8.398 ( 7.935 2.742 -2.235) 8.688 8.826 ( -1.781 1.191 -1.446) 2.585 8.826 ( 1.781 1.191 -1.446) 2.585 8.960 ( -2.730 -1.777 0.101) 3.259 8.960 ( 2.730 -1.777 0.101) 3.259 9.252 ( -2.879 -7.930 -5.396) 10.015 9.252 ( 2.879 -7.930 -5.396) 10.015 9.621 ( -1.909 -6.726 -11.641) 13.579 9.621 ( 1.909 -6.726 -11.641) 13.579 9.731 ( -1.746 -9.536 -12.288) 15.652 9.731 ( 1.746 -9.536 -12.288) 15.652 10.515 ( -5.776 6.105 0.098) 8.405 10.515 ( 5.776 6.105 0.098) 8.405 10.963 ( -6.423 2.449 -1.865) 7.122 10.963 ( 6.423 2.449 -1.865) 7.122 11.338 ( -6.355 7.406 -0.192) 9.761 11.338 ( 6.355 7.406 -0.192) 9.761 11.513 ( -4.144 4.309 -0.321) 5.987 11.513 ( 4.144 4.309 -0.321) 5.987 11.821 ( -0.830 -2.241 6.195) 6.640 11.821 ( 0.830 -2.241 6.195) 6.640 12.260 ( -1.358 -3.238 -1.392) 3.777 12.260 ( 1.358 -3.238 -1.392) 3.777 12.565 ( -1.578 1.270 1.065) 2.288 12.565 ( 1.578 1.270 1.065) 2.288 12.782 ( -7.317 -3.918 3.284) 8.926 12.782 ( 7.317 -3.918 3.284) 8.926 13.144 ( -7.928 -1.240 0.351) 8.032 13.144 ( 7.928 -1.240 0.351) 8.032 13.847 ( -4.995 -2.390 -5.308) 7.670 13.847 ( 4.995 -2.390 -5.308) 7.670 14.496 ( -3.621 4.722 2.322) 6.387 14.496 ( 3.621 4.722 2.322) 6.387 15.088 ( -12.124 -12.251 4.752) 17.879 15.088 ( 12.124 -12.251 4.752) 17.879 19.285 ( -4.542 1.444 6.387) 7.969 19.285 ( 4.542 1.444 6.387) 7.969 19.671 ( -4.787 -9.324 0.475) 10.492 19.671 ( 4.787 -9.324 0.475) 10.492 20.489 ( -0.491 14.053 -4.647) 14.809 20.489 ( 0.491 14.053 -4.647) 14.809 20.836 ( -6.815 12.287 -15.032) 20.576 20.836 ( 6.815 12.287 -15.032) 20.576 21.678 ( -0.887 -0.896 -0.251) 1.286 21.678 ( 0.887 -0.896 -0.251) 1.286 21.785 ( -1.830 -1.679 -0.260) 2.497 21.785 ( 1.830 -1.679 -0.260) 2.497 22.584 ( -0.754 2.209 9.479) 9.762 22.584 ( 0.754 2.209 9.479) 9.762 23.140 ( -8.512 -9.176 6.617) 14.157 23.140 ( 8.512 -9.176 6.617) 14.157 ======================= Grid point 150 (55/90) ======================= q-point: ( 0.00 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( 0.000 15.310 20.403) 25.509 3.192 ( 0.000 -4.051 8.300) 9.236 3.245 ( 0.000 13.046 19.336) 23.325 3.460 ( 0.000 7.764 -0.091) 7.764 3.501 ( 0.000 -0.484 1.725) 1.792 3.826 ( 0.000 1.276 11.583) 11.653 3.842 ( 0.000 8.206 10.051) 12.976 4.092 ( 0.000 3.542 1.352) 3.791 4.530 ( 0.000 -3.402 8.861) 9.491 4.642 ( 0.000 -6.789 -10.932) 12.869 4.932 ( 0.000 1.542 13.624) 13.711 4.975 ( 0.000 5.621 5.040) 7.550 5.149 ( 0.000 -1.358 4.200) 4.414 5.162 ( 0.000 4.271 1.676) 4.588 5.383 ( 0.000 -6.314 -8.315) 10.440 5.495 ( 0.000 2.114 -6.228) 6.577 5.624 ( 0.000 -2.874 -4.039) 4.957 5.865 ( 0.000 4.694 -14.640) 15.374 5.925 ( 0.000 1.044 5.998) 6.088 6.100 ( 0.000 -8.287 -5.436) 9.911 6.352 ( 0.000 0.823 -6.549) 6.600 6.586 ( 0.000 0.307 -2.421) 2.440 6.660 ( 0.000 15.360 -5.770) 16.408 6.992 ( 0.000 2.964 -4.554) 5.434 7.147 ( 0.000 9.855 -16.322) 19.066 7.311 ( 0.000 -0.478 1.855) 1.916 7.329 ( 0.000 1.905 1.214) 2.259 7.491 ( 0.000 15.128 -0.368) 15.132 7.527 ( 0.000 -3.690 -3.683) 5.214 7.715 ( 0.000 4.384 -2.889) 5.250 7.889 ( 0.000 0.694 4.310) 4.366 8.162 ( 0.000 -12.160 -4.191) 12.862 8.200 ( 0.000 -7.225 2.116) 7.528 8.471 ( 0.000 -24.140 -4.464) 24.549 8.753 ( 0.000 5.249 -2.204) 5.693 8.913 ( 0.000 5.694 -4.872) 7.494 9.010 ( 0.000 8.804 -3.282) 9.396 9.017 ( 0.000 3.581 -6.301) 7.248 9.174 ( 0.000 2.662 -3.352) 4.281 9.285 ( 0.000 -1.682 -3.446) 3.835 9.418 ( 0.000 -3.685 -10.074) 10.726 9.510 ( 0.000 -5.591 -7.226) 9.137 9.551 ( 0.000 -8.127 -6.820) 10.609 9.607 ( 0.000 -10.000 -12.346) 15.888 10.588 ( 0.000 7.461 4.330) 8.626 10.750 ( 0.000 -1.000 1.973) 2.212 11.016 ( 0.000 5.162 -1.466) 5.366 11.140 ( 0.000 11.031 -1.035) 11.079 11.325 ( 0.000 -1.145 -6.356) 6.458 11.430 ( 0.000 1.763 3.089) 3.557 11.501 ( 0.000 2.163 0.466) 2.212 11.551 ( 0.000 -2.511 1.843) 3.115 11.780 ( 0.000 0.317 6.875) 6.883 11.879 ( 0.000 3.428 10.933) 11.458 12.177 ( 0.000 -6.174 4.468) 7.621 12.261 ( 0.000 3.171 2.152) 3.832 12.419 ( 0.000 -6.198 2.178) 6.570 12.550 ( 0.000 -2.668 -0.505) 2.715 12.689 ( 0.000 -1.981 -6.079) 6.394 12.885 ( 0.000 -10.950 -4.581) 11.870 13.021 ( 0.000 14.545 2.207) 14.712 13.407 ( 0.000 9.066 -0.237) 9.069 13.532 ( 0.000 -8.818 1.401) 8.928 13.882 ( 0.000 -9.512 -3.450) 10.118 14.535 ( 0.000 3.480 -2.229) 4.133 14.626 ( 0.000 -2.460 1.746) 3.016 14.704 ( 0.000 6.028 1.686) 6.259 15.088 ( 0.000 -14.993 1.923) 15.116 19.181 ( 0.000 2.343 2.766) 3.625 19.310 ( 0.000 -3.598 0.527) 3.636 19.508 ( 0.000 0.466 7.885) 7.899 19.648 ( 0.000 -6.142 5.285) 8.102 20.752 ( 0.000 10.308 -8.201) 13.173 20.789 ( 0.000 14.084 -7.365) 15.894 20.840 ( 0.000 7.002 -13.803) 15.477 21.134 ( 0.000 0.931 -15.875) 15.902 21.638 ( 0.000 -0.558 -0.371) 0.670 21.663 ( 0.000 -1.621 0.584) 1.723 21.713 ( 0.000 0.593 2.106) 2.188 21.824 ( 0.000 -1.871 -0.302) 1.895 22.598 ( 0.000 2.491 9.612) 9.929 22.673 ( 0.000 5.161 7.850) 9.395 22.825 ( 0.000 -4.346 10.898) 11.733 23.132 ( 0.000 -13.828 4.622) 14.580 ======================= Grid point 151 (56/90) ======================= q-point: ( 0.25 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( 5.528 12.843 17.068) 22.064 3.147 ( -3.658 -2.573 5.166) 6.833 3.249 ( 0.028 11.793 15.238) 19.268 3.315 ( -9.822 5.344 2.433) 11.443 3.475 ( -1.129 3.324 4.332) 5.576 3.756 ( -8.243 10.572 13.371) 18.934 3.861 ( 2.340 -5.833 10.834) 12.525 4.023 ( -4.355 0.962 3.833) 5.881 4.587 ( 5.173 -0.785 4.829) 7.120 4.743 ( 4.392 -7.891 -1.156) 9.104 4.851 ( -1.850 1.038 2.247) 3.090 5.003 ( -1.314 2.335 11.610) 11.915 5.104 ( 2.951 -1.242 -2.944) 4.349 5.138 ( -1.782 6.194 -1.870) 6.711 5.476 ( 1.879 -3.530 2.096) 4.516 5.559 ( -1.334 -10.259 -0.121) 10.346 5.703 ( 7.717 5.398 -6.766) 11.597 5.842 ( 2.751 5.535 -7.248) 9.525 5.951 ( 3.976 9.088 -4.736) 10.992 6.129 ( 1.218 -2.516 -9.541) 9.942 6.348 ( -1.151 0.364 -8.493) 8.578 6.527 ( -10.944 15.641 -5.268) 19.803 6.628 ( 3.460 -2.563 -2.452) 4.955 6.873 ( -6.420 -0.610 -5.193) 8.280 7.219 ( 2.469 5.188 -4.452) 7.269 7.283 ( 2.234 4.813 -3.117) 6.154 7.388 ( -1.102 2.943 0.657) 3.211 7.399 ( -2.774 4.919 -1.568) 5.861 7.611 ( 4.293 3.127 -2.722) 5.968 7.728 ( -0.210 5.449 -0.768) 5.507 8.020 ( 9.644 0.160 1.762) 9.805 8.199 ( 1.726 -5.998 -2.307) 6.654 8.217 ( 3.322 -8.244 -0.019) 8.888 8.464 ( 0.893 -19.771 -3.506) 20.099 8.719 ( -3.680 -1.617 -1.997) 4.488 8.813 ( -8.552 1.954 -4.195) 9.724 9.018 ( 0.366 6.090 -5.199) 8.016 9.020 ( 0.508 7.244 -3.765) 8.179 9.176 ( 0.667 1.883 -3.859) 4.345 9.259 ( -2.108 -1.509 -4.020) 4.784 9.442 ( 2.091 -3.829 -11.072) 11.901 9.514 ( 0.412 -4.514 -8.696) 9.806 9.555 ( -0.104 -8.913 -8.420) 12.261 9.585 ( -1.702 -8.873 -10.936) 14.185 10.589 ( 0.946 8.013 3.537) 8.810 10.816 ( 5.220 -1.972 2.111) 5.966 10.831 ( -9.513 7.701 -0.270) 12.242 11.149 ( -7.945 -2.327 -0.037) 8.279 11.325 ( 6.718 7.319 -2.080) 10.150 11.488 ( 0.125 1.530 0.897) 1.778 11.535 ( 3.332 5.339 0.041) 6.293 11.584 ( 2.243 -2.539 -0.567) 3.435 11.784 ( 0.673 1.378 7.452) 7.608 11.877 ( -0.484 5.005 8.069) 9.508 12.142 ( -1.732 -7.046 6.612) 9.817 12.231 ( -2.975 -1.719 1.859) 3.907 12.448 ( 3.149 -4.083 1.579) 5.392 12.583 ( 1.970 -1.368 -2.295) 3.320 12.665 ( -1.650 -3.266 -4.709) 5.963 12.810 ( -5.493 -8.755 -3.151) 10.805 13.097 ( 6.009 13.287 1.752) 14.687 13.366 ( -3.714 9.492 0.054) 10.193 13.603 ( 5.422 -9.191 -0.020) 10.671 13.840 ( -3.566 -9.284 -3.114) 10.422 14.541 ( 1.350 4.658 -0.692) 4.899 14.671 ( -2.562 5.708 3.089) 6.977 14.711 ( 6.137 -4.828 -0.020) 7.808 15.024 ( -5.374 -13.286 1.991) 14.469 19.225 ( 3.749 2.523 3.480) 5.704 19.352 ( 2.722 -2.073 2.114) 4.022 19.476 ( -2.055 -1.445 5.870) 6.385 19.609 ( -3.365 -6.440 4.323) 8.454 20.750 ( 0.089 11.040 -8.251) 13.783 20.777 ( -0.734 13.972 -7.700) 15.970 20.895 ( 4.095 5.706 -13.437) 15.162 21.095 ( -3.288 1.635 -15.307) 15.742 21.648 ( 0.792 -0.369 0.020) 0.874 21.673 ( 0.497 -0.157 0.399) 0.657 21.714 ( 0.508 -0.962 1.554) 1.897 21.801 ( -1.880 -1.911 -0.275) 2.695 22.613 ( 1.307 3.225 9.583) 10.195 22.677 ( -0.227 5.797 8.202) 10.046 22.850 ( 2.709 -6.697 10.070) 12.394 23.076 ( -4.713 -12.492 5.587) 14.474 ======================= Grid point 152 (57/90) ======================= q-point: (-0.50 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.968 ( -11.219 8.861 9.882) 17.380 2.968 ( 11.219 8.861 9.882) 17.380 3.218 ( -1.698 0.955 3.513) 4.017 3.218 ( 1.698 0.955 3.513) 4.017 3.547 ( -7.836 8.499 13.523) 17.791 3.547 ( 7.836 8.499 13.523) 17.791 3.930 ( -3.765 -3.644 8.557) 10.034 3.930 ( 3.765 -3.644 8.557) 10.034 4.697 ( -3.913 0.118 8.059) 8.959 4.697 ( 3.913 0.118 8.059) 8.959 4.966 ( -4.999 -6.282 -4.624) 9.264 4.966 ( 4.999 -6.282 -4.624) 9.264 5.119 ( -1.774 5.881 0.313) 6.151 5.119 ( 1.774 5.881 0.313) 6.151 5.488 ( -1.509 -7.163 4.809) 8.759 5.488 ( 1.509 -7.163 4.809) 8.759 5.855 ( -3.481 9.308 -6.531) 11.892 5.855 ( 3.481 9.308 -6.531) 11.892 6.147 ( -6.303 3.583 -5.838) 9.309 6.147 ( 6.303 3.583 -5.838) 9.309 6.286 ( -3.319 10.229 -12.805) 16.721 6.286 ( 3.319 10.229 -12.805) 16.721 6.742 ( -5.873 -5.921 -1.414) 8.459 6.742 ( 5.873 -5.921 -1.414) 8.459 7.283 ( -4.113 7.202 -1.959) 8.522 7.283 ( 4.113 7.202 -1.959) 8.522 7.367 ( -3.165 3.066 -1.056) 4.531 7.367 ( 3.165 3.066 -1.056) 4.531 7.692 ( -2.858 2.983 -1.622) 4.438 7.692 ( 2.858 2.983 -1.622) 4.438 8.163 ( -3.727 -4.320 0.516) 5.729 8.163 ( 3.727 -4.320 0.516) 5.729 8.436 ( -10.789 0.498 -2.115) 11.006 8.436 ( 10.789 0.498 -2.115) 11.006 8.641 ( -3.899 -13.144 -3.044) 14.044 8.641 ( 3.899 -13.144 -3.044) 14.044 9.026 ( -0.214 7.151 -4.205) 8.299 9.026 ( 0.214 7.151 -4.205) 8.299 9.208 ( -2.084 0.292 -4.694) 5.144 9.208 ( 2.084 0.292 -4.694) 5.144 9.498 ( -2.370 -5.272 -11.927) 13.254 9.498 ( 2.370 -5.272 -11.927) 13.254 9.554 ( -0.847 -7.511 -8.700) 11.525 9.554 ( 0.847 -7.511 -8.700) 11.525 10.658 ( -5.485 8.393 1.891) 10.203 10.658 ( 5.485 8.393 1.891) 10.203 10.965 ( -7.759 -3.484 1.420) 8.623 10.965 ( 7.759 -3.484 1.420) 8.623 11.448 ( -3.725 4.881 -0.475) 6.158 11.448 ( 3.725 4.881 -0.475) 6.158 11.594 ( -1.641 1.794 0.169) 2.437 11.594 ( 1.641 1.794 0.169) 2.437 11.833 ( -3.228 4.557 5.988) 8.188 11.833 ( 3.228 4.557 5.988) 8.188 12.154 ( -2.880 -6.929 5.328) 9.203 12.154 ( 2.880 -6.929 5.328) 9.203 12.545 ( -4.698 -1.646 -2.568) 5.601 12.545 ( 4.698 -1.646 -2.568) 5.601 12.695 ( -4.140 -5.498 -1.989) 7.165 12.695 ( 4.140 -5.498 -1.989) 7.165 13.247 ( -6.636 11.083 0.850) 12.946 13.247 ( 6.636 11.083 0.850) 12.946 13.734 ( -5.707 -9.218 -1.999) 11.025 13.734 ( 5.707 -9.218 -1.999) 11.025 14.598 ( -3.414 5.600 1.181) 6.664 14.598 ( 3.414 5.600 1.181) 6.664 14.872 ( -7.629 -9.379 1.625) 12.199 14.872 ( 7.629 -9.379 1.625) 12.199 19.327 ( -4.535 2.869 5.193) 7.467 19.327 ( 4.535 2.869 5.193) 7.467 19.512 ( -4.678 -6.830 2.372) 8.612 19.512 ( 4.678 -6.830 2.372) 8.612 20.760 ( -0.746 12.726 -7.893) 14.993 20.760 ( 0.746 12.726 -7.893) 14.993 21.000 ( -4.901 3.463 -14.197) 15.413 21.000 ( 4.901 3.463 -14.197) 15.413 21.667 ( -0.814 0.403 0.580) 1.078 21.667 ( 0.814 0.403 0.580) 1.078 21.750 ( -2.367 -2.073 0.122) 3.149 21.750 ( 2.367 -2.073 0.122) 3.149 22.651 ( -1.808 4.790 9.184) 10.515 22.651 ( 1.808 4.790 9.184) 10.515 22.950 ( -5.781 -9.701 7.761) 13.703 22.950 ( 5.781 -9.701 7.761) 13.703 ======================= Grid point 155 (58/90) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.001 ( 0.000 -12.877 13.164) 18.415 3.001 ( 0.000 12.877 13.164) 18.415 3.443 ( 0.000 -5.779 6.585) 8.761 3.443 ( 0.000 5.779 6.585) 8.761 3.670 ( 0.000 -11.216 10.444) 15.326 3.670 ( 0.000 11.216 10.444) 15.326 4.046 ( 0.000 -7.014 7.459) 10.239 4.046 ( 0.000 7.014 7.459) 10.239 4.532 ( 0.000 -3.428 0.291) 3.441 4.532 ( 0.000 3.428 0.291) 3.441 5.027 ( 0.000 -7.917 4.216) 8.969 5.027 ( 0.000 7.917 4.216) 8.969 5.130 ( 0.000 -8.258 -3.331) 8.905 5.130 ( 0.000 8.258 -3.331) 8.905 5.402 ( 0.000 -7.591 0.528) 7.610 5.402 ( 0.000 7.591 0.528) 7.610 5.736 ( 0.000 -10.824 -8.943) 14.041 5.736 ( 0.000 10.824 -8.943) 14.041 5.986 ( 0.000 -4.395 1.144) 4.542 5.986 ( 0.000 4.395 1.144) 4.542 6.496 ( 0.000 -8.039 -5.257) 9.605 6.496 ( 0.000 8.039 -5.257) 9.605 6.945 ( 0.000 -8.887 -4.870) 10.134 6.945 ( 0.000 8.887 -4.870) 10.134 7.300 ( 0.000 -1.520 -2.394) 2.836 7.300 ( 0.000 1.520 -2.394) 2.836 7.396 ( 0.000 -7.702 -8.344) 11.355 7.396 ( 0.000 7.702 -8.344) 11.355 7.836 ( 0.000 -16.953 -5.057) 17.691 7.836 ( 0.000 16.953 -5.057) 17.691 7.941 ( 0.000 -9.747 1.422) 9.850 7.941 ( 0.000 9.747 1.422) 9.850 8.029 ( 0.000 -12.627 -0.266) 12.630 8.029 ( 0.000 12.627 -0.266) 12.630 8.913 ( 0.000 -7.008 -2.420) 7.414 8.913 ( 0.000 7.008 -2.420) 7.414 9.142 ( 0.000 -1.661 -4.348) 4.654 9.142 ( 0.000 1.661 -4.348) 4.654 9.174 ( 0.000 -2.899 -4.083) 5.007 9.174 ( 0.000 2.899 -4.083) 5.007 9.403 ( 0.000 -3.890 -8.362) 9.222 9.403 ( 0.000 3.890 -8.362) 9.222 9.495 ( 0.000 -2.527 -10.170) 10.479 9.495 ( 0.000 2.527 -10.170) 10.479 10.703 ( 0.000 -3.979 4.044) 5.673 10.703 ( 0.000 3.979 4.044) 5.673 11.159 ( 0.000 -8.609 -3.359) 9.241 11.159 ( 0.000 8.609 -3.359) 9.241 11.352 ( 0.000 -6.893 0.909) 6.953 11.352 ( 0.000 6.893 0.909) 6.953 11.560 ( 0.000 -0.382 3.100) 3.123 11.560 ( 0.000 0.382 3.100) 3.123 11.845 ( 0.000 -5.682 11.649) 12.961 11.845 ( 0.000 5.682 11.649) 12.961 12.185 ( 0.000 -6.710 0.134) 6.711 12.185 ( 0.000 6.710 0.134) 6.711 12.446 ( 0.000 -5.905 2.206) 6.303 12.446 ( 0.000 5.905 2.206) 6.303 12.725 ( 0.000 -4.931 -6.754) 8.362 12.725 ( 0.000 4.931 -6.754) 8.362 13.301 ( 0.000 -13.287 1.155) 13.337 13.301 ( 0.000 13.287 1.155) 13.337 13.648 ( 0.000 -13.111 -0.732) 13.131 13.648 ( 0.000 13.111 -0.732) 13.131 14.587 ( 0.000 -2.039 -1.835) 2.743 14.587 ( 0.000 2.039 -1.835) 2.744 14.852 ( 0.000 -9.371 1.573) 9.502 14.852 ( 0.000 9.371 1.573) 9.502 19.238 ( 0.000 -3.448 1.382) 3.715 19.238 ( 0.000 3.448 1.382) 3.715 19.552 ( 0.000 -3.671 7.135) 8.023 19.552 ( 0.000 3.671 7.135) 8.023 20.881 ( 0.000 -2.621 -11.548) 11.841 20.881 ( 0.000 2.621 -11.548) 11.841 21.036 ( 0.000 -9.903 -11.709) 15.335 21.036 ( 0.000 9.903 -11.709) 15.335 21.638 ( 0.000 -0.726 0.404) 0.831 21.638 ( 0.000 0.726 0.404) 0.831 21.767 ( 0.000 -3.696 0.889) 3.802 21.767 ( 0.000 3.696 0.889) 3.802 22.667 ( 0.000 -4.141 9.547) 10.406 22.667 ( 0.000 4.141 9.547) 10.406 22.893 ( 0.000 -9.996 7.312) 12.386 22.893 ( 0.000 9.996 7.312) 12.386 ======================= Grid point 157 (59/90) ======================= q-point: ( 0.25 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.010 ( 1.966 -10.442 9.636) 14.344 3.010 ( 1.966 10.442 9.636) 14.344 3.357 ( -8.205 -2.408 2.670) 8.958 3.357 ( -8.205 2.408 2.670) 8.958 3.669 ( 1.555 -12.799 14.112) 19.115 3.669 ( 1.555 12.799 14.112) 19.115 3.940 ( -8.088 -7.829 10.696) 15.528 3.940 ( -8.088 7.829 10.696) 15.528 4.630 ( 7.633 -4.350 -0.470) 8.798 4.630 ( 7.633 4.350 -0.470) 8.798 4.912 ( -4.623 -6.016 4.764) 8.959 4.912 ( -4.623 6.016 4.764) 8.959 5.257 ( 3.424 -9.575 0.321) 10.174 5.257 ( 3.424 9.575 0.321) 10.174 5.336 ( -2.940 -4.954 -1.857) 6.052 5.336 ( -2.940 4.954 -1.857) 6.052 5.879 ( 9.764 -5.001 -8.395) 13.814 5.879 ( 9.764 5.001 -8.395) 13.814 6.022 ( 3.309 -4.155 -2.003) 5.677 6.022 ( 3.309 4.155 -2.003) 5.677 6.502 ( 0.540 -9.673 -6.171) 11.487 6.502 ( 0.540 9.673 -6.171) 11.487 6.797 ( -11.124 -8.651 -5.630) 15.175 6.797 ( -11.124 8.651 -5.630) 15.175 7.326 ( 2.121 -3.817 -2.219) 4.898 7.326 ( 2.121 3.817 -2.219) 4.898 7.393 ( 0.002 -2.798 -4.236) 5.076 7.393 ( 0.002 2.798 -4.236) 5.076 7.868 ( 1.004 -15.628 -1.675) 15.749 7.868 ( 1.004 15.628 -1.675) 15.749 7.974 ( -2.453 -8.895 -1.081) 9.291 7.974 ( -2.453 8.895 -1.081) 9.291 8.120 ( 13.567 -5.103 -1.307) 14.554 8.120 ( 13.567 5.103 -1.307) 14.554 8.796 ( -10.433 -4.819 -1.178) 11.552 8.796 ( -10.433 4.819 -1.178) 11.552 9.136 ( 0.522 -4.530 -5.690) 7.292 9.136 ( 0.522 4.530 -5.690) 7.292 9.182 ( -0.133 -5.151 -4.868) 7.088 9.182 ( -0.133 5.151 -4.868) 7.088 9.423 ( 1.503 -2.638 -8.717) 9.231 9.423 ( 1.503 2.638 -8.717) 9.231 9.485 ( -0.832 -1.738 -9.814) 10.001 9.485 ( -0.832 1.738 -9.814) 10.001 10.733 ( 2.781 -6.155 3.580) 7.645 10.733 ( 2.781 6.155 3.580) 7.645 11.008 ( -8.950 -9.646 -0.193) 13.160 11.008 ( -8.950 9.646 -0.193) 13.160 11.458 ( 5.405 -5.633 -0.360) 7.815 11.458 ( 5.405 5.633 -0.360) 7.815 11.578 ( 0.625 -1.263 1.127) 1.804 11.578 ( 0.625 1.263 1.127) 1.804 11.875 ( 3.114 -6.520 10.995) 13.157 11.875 ( 3.114 6.520 10.995) 13.157 12.121 ( -5.159 -6.642 2.611) 8.806 12.121 ( -5.159 6.642 2.611) 8.806 12.487 ( 3.372 -5.868 -0.219) 6.771 12.487 ( 3.372 5.868 -0.219) 6.771 12.678 ( -3.732 -4.168 -5.509) 7.852 12.678 ( -3.732 4.168 -5.509) 7.852 13.370 ( 5.414 -13.285 0.480) 14.354 13.370 ( 5.414 13.285 0.480) 14.354 13.610 ( -3.374 -13.020 -0.631) 13.464 13.610 ( -3.374 13.020 -0.631) 13.464 14.625 ( 3.199 -4.030 -1.051) 5.252 14.625 ( 3.199 4.030 -1.051) 5.252 14.812 ( -3.395 -8.618 1.351) 9.361 14.812 ( -3.395 8.618 1.351) 9.361 19.287 ( 4.088 -3.639 2.052) 5.845 19.287 ( 4.088 3.639 2.052) 5.845 19.508 ( -3.724 -3.785 6.105) 8.091 19.508 ( -3.724 3.785 6.105) 8.091 20.905 ( 1.987 -4.158 -11.420) 12.315 20.905 ( 1.987 4.158 -11.420) 12.315 21.014 ( -1.874 -9.011 -11.546) 14.765 21.014 ( -1.874 9.011 -11.546) 14.765 21.656 ( 1.594 -1.239 0.403) 2.058 21.656 ( 1.594 1.239 0.403) 2.058 21.747 ( -1.631 -3.291 0.756) 3.750 21.747 ( -1.631 3.291 0.756) 3.750 22.698 ( 2.635 -4.990 9.304) 10.881 22.698 ( 2.635 4.990 9.304) 10.881 22.857 ( -2.981 -9.074 7.729) 12.287 22.857 ( -2.981 9.074 7.729) 12.287 ======================= Grid point 159 (60/90) ======================= q-point: (-0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( -8.451 -7.207 3.981) 11.799 3.135 ( 2.201 -5.941 3.981) 7.483 3.135 ( -2.201 5.941 3.981) 7.483 3.135 ( 8.451 7.207 3.981) 11.799 3.764 ( -6.556 -11.550 13.914) 19.235 3.764 ( 6.387 -11.526 13.914) 19.164 3.764 ( -6.387 11.526 13.914) 19.164 3.764 ( 6.556 11.550 13.914) 19.235 4.800 ( -4.777 -8.368 3.187) 10.149 4.800 ( 1.320 -8.047 3.187) 8.755 4.800 ( -1.320 8.047 3.187) 8.755 4.800 ( 4.777 8.368 3.187) 10.149 5.290 ( -1.811 -10.576 -0.991) 10.776 5.290 ( 1.809 -10.576 -0.991) 10.775 5.290 ( -1.809 10.576 -0.991) 10.775 5.290 ( 1.811 10.576 -0.991) 10.776 6.055 ( -2.995 -8.811 -6.469) 11.333 6.055 ( 2.747 -8.790 -6.469) 11.254 6.055 ( -2.747 8.790 -6.469) 11.254 6.055 ( 2.995 8.811 -6.469) 11.333 6.566 ( -6.939 -12.394 -6.302) 15.540 6.566 ( 6.715 -12.364 -6.302) 15.417 6.566 ( -6.715 12.364 -6.302) 15.417 6.566 ( 6.939 12.394 -6.302) 15.540 7.377 ( -1.721 -2.054 -1.860) 3.262 7.377 ( 1.379 -1.988 -1.860) 3.052 7.377 ( -1.379 1.988 -1.860) 3.052 7.377 ( 1.721 2.054 -1.860) 3.262 7.905 ( -1.853 -17.097 -0.711) 17.212 7.905 ( 1.592 -17.090 -0.711) 17.179 7.905 ( -1.592 17.090 -0.711) 17.179 7.905 ( 1.853 17.097 -0.711) 17.212 8.481 ( -16.442 -4.648 -1.388) 17.143 8.481 ( -14.955 3.152 -1.388) 15.347 8.481 ( 14.955 -3.152 -1.388) 15.347 8.481 ( 16.442 4.648 -1.388) 17.143 9.163 ( -1.213 -5.602 -5.928) 8.246 9.163 ( 1.091 -5.596 -5.928) 8.225 9.163 ( -1.091 5.596 -5.928) 8.225 9.163 ( 1.213 5.602 -5.928) 8.246 9.458 ( -0.906 -1.837 -9.261) 9.484 9.458 ( -0.110 -1.781 -9.261) 9.431 9.458 ( 0.110 1.781 -9.261) 9.431 9.458 ( 0.906 1.837 -9.261) 9.484 10.833 ( -6.294 -8.811 2.164) 11.043 10.833 ( 6.291 -8.811 2.164) 11.040 10.833 ( -6.291 8.811 2.164) 11.040 10.833 ( 6.294 8.811 2.164) 11.043 11.552 ( -2.474 -4.908 0.181) 5.500 11.552 ( 1.624 -4.819 0.181) 5.088 11.552 ( -1.624 4.819 0.181) 5.088 11.552 ( 2.474 4.908 0.181) 5.500 11.986 ( -5.329 -9.347 6.872) 12.767 11.986 ( 3.338 -9.114 6.872) 11.893 11.986 ( -3.338 9.114 6.872) 11.893 11.986 ( 5.329 9.347 6.872) 12.767 12.580 ( -4.526 -4.969 -3.228) 7.456 12.580 ( 3.866 -4.828 -3.228) 6.976 12.580 ( -3.866 4.828 -3.228) 6.976 12.580 ( 4.526 4.969 -3.228) 7.456 13.503 ( -5.754 -13.459 -0.286) 14.640 13.503 ( 5.599 -13.443 -0.286) 14.565 13.503 ( -5.599 13.443 -0.286) 14.565 13.503 ( 5.754 13.459 -0.286) 14.640 14.717 ( -4.662 -6.692 0.432) 8.168 14.717 ( 4.642 -6.689 0.432) 8.153 14.717 ( -4.642 6.689 0.432) 8.153 14.717 ( 4.662 6.692 0.432) 8.168 19.400 ( -5.116 -4.560 3.903) 7.887 19.400 ( 2.139 -3.923 3.903) 5.933 19.400 ( -2.139 3.923 3.903) 5.933 19.400 ( 5.116 4.560 3.903) 7.887 20.960 ( -2.694 -6.923 -11.342) 13.559 20.960 ( 2.649 -6.919 -11.342) 13.548 20.960 ( -2.649 6.919 -11.342) 13.548 20.960 ( 2.694 6.923 -11.342) 13.559 21.702 ( -2.101 -2.610 0.515) 3.390 21.702 ( 1.493 -2.503 0.515) 2.960 21.702 ( -1.493 2.503 0.515) 2.960 21.702 ( 2.101 2.610 0.515) 3.390 22.775 ( -3.687 -7.784 8.602) 12.173 22.775 ( 3.241 -7.734 8.602) 12.013 22.775 ( -3.241 7.734 8.602) 12.013 22.775 ( 3.687 7.784 8.602) 12.173 ======================= Grid point 180 (61/90) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.859 ( 0.000 0.000 28.716) 28.716 2.913 ( 0.000 0.000 28.970) 28.970 3.156 ( 0.000 0.000 13.564) 13.564 3.308 ( 0.000 0.000 10.911) 10.911 3.514 ( 0.000 0.000 2.702) 2.702 3.544 ( 0.000 0.000 -5.659) 5.659 3.553 ( 0.000 0.000 -4.820) 4.820 3.713 ( 0.000 0.000 -12.754) 12.754 4.468 ( 0.000 0.000 -14.269) 14.269 4.552 ( 0.000 0.000 -18.104) 18.104 4.577 ( 0.000 0.000 -11.436) 11.436 4.608 ( 0.000 0.000 -14.813) 14.813 5.046 ( 0.000 0.000 5.231) 5.231 5.273 ( 0.000 0.000 5.240) 5.240 5.304 ( 0.000 0.000 0.953) 0.953 5.415 ( 0.000 0.000 -3.717) 3.717 5.706 ( 0.000 0.000 23.968) 23.968 5.856 ( 0.000 0.000 6.325) 6.325 6.193 ( 0.000 0.000 -4.663) 4.663 6.200 ( 0.000 0.000 0.250) 0.250 6.272 ( 0.000 0.000 -8.505) 8.505 6.388 ( 0.000 0.000 -3.137) 3.137 6.719 ( 0.000 0.000 -0.369) 0.369 6.951 ( 0.000 0.000 -4.173) 4.173 7.066 ( 0.000 0.000 8.475) 8.475 7.109 ( 0.000 0.000 6.009) 6.009 7.419 ( 0.000 0.000 5.131) 5.131 7.442 ( 0.000 0.000 -0.398) 0.398 7.461 ( 0.000 0.000 -5.106) 5.106 7.470 ( 0.000 0.000 -7.016) 7.016 7.632 ( 0.000 0.000 13.004) 13.004 8.162 ( 0.000 0.000 -10.806) 10.806 8.267 ( 0.000 0.000 0.729) 0.729 8.406 ( 0.000 0.000 -5.112) 5.112 8.795 ( 0.000 0.000 3.170) 3.170 8.811 ( 0.000 0.000 5.072) 5.072 8.897 ( 0.000 0.000 -4.350) 4.350 8.985 ( 0.000 0.000 -1.522) 1.522 9.081 ( 0.000 0.000 5.133) 5.133 9.470 ( 0.000 0.000 -2.202) 2.202 9.520 ( 0.000 0.000 -11.058) 11.058 9.713 ( 0.000 0.000 -9.884) 9.884 9.740 ( 0.000 0.000 -3.117) 3.117 9.893 ( 0.000 0.000 -11.210) 11.210 10.246 ( 0.000 0.000 -3.719) 3.719 10.266 ( 0.000 0.000 -5.581) 5.581 10.716 ( 0.000 0.000 -5.605) 5.605 10.772 ( 0.000 0.000 -7.388) 7.388 10.979 ( 0.000 0.000 1.834) 1.834 11.013 ( 0.000 0.000 -0.412) 0.412 11.661 ( 0.000 0.000 2.659) 2.659 11.735 ( 0.000 0.000 1.172) 1.172 11.903 ( 0.000 0.000 -5.972) 5.972 11.912 ( 0.000 0.000 -3.473) 3.473 11.996 ( 0.000 0.000 4.055) 4.055 12.036 ( 0.000 0.000 2.052) 2.052 12.560 ( 0.000 0.000 11.201) 11.201 12.968 ( 0.000 0.000 -6.683) 6.683 13.053 ( 0.000 0.000 16.525) 16.525 13.069 ( 0.000 0.000 14.867) 14.867 13.300 ( 0.000 0.000 3.410) 3.410 13.389 ( 0.000 0.000 -1.524) 1.524 13.593 ( 0.000 0.000 -10.067) 10.067 13.673 ( 0.000 0.000 -13.063) 13.063 14.272 ( 0.000 0.000 -0.585) 0.585 14.402 ( 0.000 0.000 -5.860) 5.860 15.277 ( 0.000 0.000 18.298) 18.298 15.880 ( 0.000 0.000 -11.610) 11.610 19.263 ( 0.000 0.000 6.452) 6.452 19.479 ( 0.000 0.000 -0.620) 0.620 19.781 ( 0.000 0.000 7.167) 7.167 20.012 ( 0.000 0.000 0.895) 0.895 20.062 ( 0.000 0.000 -1.614) 1.614 20.112 ( 0.000 0.000 1.676) 1.676 20.174 ( 0.000 0.000 -1.311) 1.311 20.365 ( 0.000 0.000 -18.418) 18.418 21.678 ( 0.000 0.000 1.995) 1.995 21.714 ( 0.000 0.000 0.575) 0.575 21.789 ( 0.000 0.000 -2.444) 2.444 21.798 ( 0.000 0.000 -2.864) 2.864 22.684 ( 0.000 0.000 7.263) 7.263 22.718 ( 0.000 0.000 5.562) 5.562 23.273 ( 0.000 0.000 9.407) 9.407 23.614 ( 0.000 0.000 -8.085) 8.085 ======================= Grid point 181 (62/90) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.893 ( 3.219 0.000 25.310) 25.514 2.978 ( 4.374 0.000 23.403) 23.808 3.120 ( -3.868 0.000 15.130) 15.617 3.233 ( -7.241 0.000 7.527) 10.444 3.439 ( -4.803 0.000 -4.521) 6.596 3.470 ( -1.420 0.000 3.149) 3.454 3.570 ( 2.818 0.000 -5.039) 5.773 3.724 ( -0.326 0.000 -9.433) 9.439 4.559 ( -0.849 0.000 -11.471) 11.502 4.587 ( 9.684 0.000 -9.507) 13.570 4.595 ( -1.548 0.000 -13.296) 13.386 4.741 ( 9.969 0.000 -16.679) 19.431 5.049 ( 1.067 0.000 8.627) 8.693 5.271 ( -2.210 0.000 -1.393) 2.613 5.295 ( 2.209 0.000 -2.564) 3.384 5.476 ( 0.946 0.000 -8.829) 8.879 5.724 ( 3.860 0.000 27.860) 28.127 5.890 ( 1.946 0.000 6.568) 6.850 6.141 ( -3.455 0.000 -0.037) 3.455 6.156 ( 1.008 0.000 0.705) 1.230 6.290 ( -7.122 0.000 0.930) 7.182 6.329 ( 0.895 0.000 -5.765) 5.834 6.615 ( -6.883 0.000 -3.201) 7.591 6.760 ( -12.525 0.000 -1.937) 12.674 7.089 ( -0.366 0.000 3.415) 3.434 7.183 ( 6.434 0.000 5.650) 8.562 7.322 ( -7.478 0.000 -2.474) 7.876 7.375 ( -3.240 0.000 4.716) 5.721 7.455 ( 0.518 0.000 1.024) 1.148 7.464 ( -0.068 0.000 -0.660) 0.664 7.825 ( 10.501 0.000 -0.671) 10.522 8.124 ( -3.259 0.000 -10.601) 11.091 8.314 ( 3.315 0.000 -0.049) 3.316 8.404 ( -0.373 0.000 -3.852) 3.870 8.801 ( 0.508 0.000 3.786) 3.819 8.816 ( 0.234 0.000 4.952) 4.958 8.949 ( 3.807 0.000 -1.248) 4.007 9.009 ( 1.217 0.000 3.753) 3.946 9.205 ( 10.105 0.000 -1.101) 10.165 9.501 ( 2.777 0.000 -4.450) 5.246 9.551 ( 3.142 0.000 -11.739) 12.152 9.664 ( -6.653 0.000 -3.089) 7.335 9.677 ( -3.139 0.000 -9.965) 10.448 9.830 ( -5.357 0.000 -11.927) 13.075 10.246 ( 0.427 0.000 -3.184) 3.212 10.274 ( 0.155 0.000 -4.257) 4.260 10.773 ( 4.436 0.000 -6.025) 7.482 10.809 ( 2.833 0.000 -7.191) 7.729 10.983 ( 0.324 0.000 1.210) 1.253 11.008 ( -0.499 0.000 -0.318) 0.592 11.498 ( -7.917 0.000 0.668) 7.945 11.578 ( -10.383 0.000 -2.785) 10.750 11.991 ( 7.782 0.000 1.136) 7.864 12.001 ( 0.424 0.000 3.769) 3.793 12.029 ( -0.568 0.000 2.349) 2.416 12.089 ( 5.643 0.000 -3.557) 6.671 12.623 ( 6.174 0.000 9.936) 11.698 13.000 ( 1.161 0.000 -6.573) 6.675 13.056 ( 0.227 0.000 16.255) 16.256 13.067 ( -0.165 0.000 15.084) 15.085 13.151 ( -7.995 0.000 4.892) 9.373 13.355 ( -5.042 0.000 -4.210) 6.568 13.605 ( 0.990 0.000 -10.511) 10.558 13.661 ( -0.999 0.000 -12.630) 12.669 14.312 ( 3.685 0.000 0.856) 3.783 14.431 ( 1.065 0.000 -3.945) 4.086 15.336 ( 5.600 0.000 13.756) 14.852 15.766 ( -9.307 0.000 -7.014) 11.654 19.313 ( 4.277 0.000 7.346) 8.500 19.503 ( -0.184 0.000 4.311) 4.315 19.832 ( 6.175 0.000 -1.591) 6.377 20.016 ( 0.391 0.000 0.747) 0.843 20.049 ( -0.932 0.000 -0.567) 1.091 20.128 ( 1.074 0.000 0.558) 1.210 20.168 ( -0.523 0.000 -1.093) 1.212 20.276 ( -7.653 0.000 -17.261) 18.882 21.683 ( 0.411 0.000 1.786) 1.833 21.708 ( -0.467 0.000 0.796) 0.923 21.791 ( 0.172 0.000 -2.498) 2.504 21.797 ( -0.056 0.000 -2.696) 2.697 22.698 ( 1.072 0.000 7.173) 7.253 22.724 ( 0.313 0.000 5.926) 5.934 23.302 ( 2.808 0.000 7.070) 7.607 23.545 ( -5.622 0.000 -5.262) 7.701 ======================= Grid point 182 (63/90) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.999 ( -5.895 0.000 19.139) 20.027 2.999 ( 5.895 0.000 19.139) 20.027 3.073 ( -5.273 0.000 7.942) 9.533 3.073 ( 5.273 0.000 7.942) 9.533 3.433 ( -2.387 0.000 4.847) 5.403 3.433 ( 2.387 0.000 4.847) 5.403 3.667 ( -4.491 0.000 -5.459) 7.068 3.667 ( 4.491 0.000 -5.459) 7.068 4.559 ( -1.006 0.000 -11.693) 11.736 4.559 ( 1.006 0.000 -11.693) 11.736 4.786 ( -5.814 0.000 -10.729) 12.204 4.786 ( 5.814 0.000 -10.729) 12.204 5.150 ( -7.062 0.000 3.790) 8.015 5.150 ( 7.062 0.000 3.790) 8.015 5.403 ( -5.986 0.000 -9.347) 11.100 5.403 ( 5.986 0.000 -9.347) 11.100 5.865 ( -5.480 0.000 18.929) 19.706 5.865 ( 5.480 0.000 18.929) 19.706 6.147 ( -4.498 0.000 -0.079) 4.498 6.147 ( 4.498 0.000 -0.079) 4.498 6.259 ( -6.121 0.000 1.387) 6.276 6.259 ( 6.121 0.000 1.387) 6.276 6.545 ( -3.516 0.000 -4.160) 5.447 6.545 ( 3.516 0.000 -4.160) 5.447 7.153 ( -6.238 0.000 -1.920) 6.527 7.153 ( 6.238 0.000 -1.920) 6.527 7.303 ( -4.065 0.000 5.770) 7.058 7.303 ( 4.065 0.000 5.770) 7.058 7.462 ( -0.177 0.000 0.762) 0.783 7.462 ( 0.177 0.000 0.762) 0.783 8.017 ( -6.570 0.000 -8.118) 10.443 8.017 ( 6.570 0.000 -8.118) 10.443 8.378 ( -2.076 0.000 -1.669) 2.663 8.378 ( 2.076 0.000 -1.669) 2.663 8.814 ( -0.462 0.000 4.643) 4.666 8.814 ( 0.462 0.000 4.643) 4.666 9.014 ( -1.268 0.000 3.335) 3.567 9.014 ( 1.268 0.000 3.335) 3.567 9.456 ( -11.056 0.000 -2.767) 11.397 9.456 ( 11.056 0.000 -2.767) 11.397 9.587 ( -4.457 0.000 -8.330) 9.447 9.587 ( 4.457 0.000 -8.330) 9.447 9.678 ( -7.349 0.000 -12.866) 14.817 9.678 ( 7.349 0.000 -12.866) 14.817 10.264 ( -0.932 0.000 -2.838) 2.987 10.264 ( 0.932 0.000 -2.838) 2.987 10.849 ( -0.728 0.000 -6.856) 6.895 10.849 ( 0.728 0.000 -6.856) 6.895 10.994 ( -0.637 0.000 0.177) 0.661 10.994 ( 0.637 0.000 0.177) 0.661 11.417 ( -2.154 0.000 -1.398) 2.568 11.417 ( 2.154 0.000 -1.398) 2.568 12.014 ( -0.708 0.000 3.064) 3.145 12.014 ( 0.708 0.000 3.064) 3.145 12.117 ( -2.761 0.000 0.179) 2.767 12.117 ( 2.761 0.000 0.179) 2.767 12.831 ( -11.408 0.000 5.642) 12.727 12.831 ( 11.408 0.000 5.642) 12.727 13.062 ( -0.275 0.000 15.643) 15.646 13.062 ( 0.275 0.000 15.643) 15.646 13.197 ( -7.593 0.000 -4.927) 9.051 13.197 ( 7.593 0.000 -4.927) 9.051 13.633 ( -1.407 0.000 -11.576) 11.661 13.633 ( 1.407 0.000 -11.576) 11.661 14.404 ( -3.459 0.000 0.047) 3.459 14.404 ( 3.459 0.000 0.047) 3.459 15.526 ( -10.756 0.000 3.155) 11.209 15.526 ( 10.756 0.000 3.155) 11.209 19.430 ( -5.354 0.000 8.427) 9.984 19.430 ( 5.354 0.000 8.427) 9.984 20.029 ( -0.763 0.000 0.293) 0.818 20.029 ( 0.763 0.000 0.293) 0.818 20.051 ( -11.534 0.000 -12.850) 17.267 20.051 ( 11.534 0.000 -12.850) 17.267 20.151 ( -0.957 0.000 -0.472) 1.067 20.151 ( 0.957 0.000 -0.472) 1.067 21.695 ( -0.646 0.000 1.291) 1.444 21.695 ( 0.646 0.000 1.291) 1.444 21.795 ( -0.164 0.000 -2.533) 2.539 21.795 ( 0.164 0.000 -2.533) 2.539 22.721 ( -0.718 0.000 6.734) 6.772 22.721 ( 0.718 0.000 6.734) 6.772 23.403 ( -6.109 0.000 1.089) 6.205 23.403 ( 6.109 0.000 1.089) 6.205 ======================= Grid point 185 (64/90) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.886 ( 0.000 0.116 26.259) 26.259 3.011 ( 0.000 14.116 26.326) 29.872 3.323 ( 0.000 1.707 10.958) 11.090 3.354 ( 0.000 16.392 13.529) 21.255 3.428 ( 0.000 -4.668 -4.527) 6.502 3.509 ( 0.000 -0.110 2.378) 2.380 3.716 ( 0.000 9.582 -4.724) 10.684 3.784 ( 0.000 6.341 -10.647) 12.392 4.439 ( 0.000 -2.239 -14.079) 14.256 4.543 ( 0.000 0.270 -16.017) 16.020 4.748 ( 0.000 15.088 -11.667) 19.073 4.771 ( 0.000 15.411 -12.622) 19.920 5.083 ( 0.000 3.680 5.525) 6.638 5.216 ( 0.000 -4.126 3.404) 5.349 5.331 ( 0.000 0.790 6.291) 6.341 5.400 ( 0.000 -1.705 -3.396) 3.800 5.681 ( 0.000 -2.373 11.830) 12.066 5.721 ( 0.000 -12.319 6.164) 13.774 6.098 ( 0.000 -2.807 -0.396) 2.835 6.118 ( 0.000 -7.428 -8.449) 11.250 6.348 ( 0.000 8.042 3.596) 8.809 6.600 ( 0.000 12.150 -4.407) 12.925 6.681 ( 0.000 -7.943 -0.785) 7.981 6.826 ( 0.000 -14.981 -3.603) 15.408 6.828 ( 0.000 -7.364 2.971) 7.941 7.204 ( 0.000 -3.200 -6.650) 7.380 7.263 ( 0.000 5.750 9.313) 10.945 7.385 ( 0.000 -1.740 6.538) 6.766 7.468 ( 0.000 0.764 1.007) 1.263 7.736 ( 0.000 6.446 -8.275) 10.489 7.802 ( 0.000 13.089 9.728) 16.308 8.198 ( 0.000 4.620 -8.734) 9.881 8.252 ( 0.000 -1.203 1.652) 2.044 8.388 ( 0.000 -0.302 -4.570) 4.580 8.786 ( 0.000 -1.306 3.618) 3.847 8.808 ( 0.000 1.150 1.989) 2.297 8.920 ( 0.000 2.296 -4.697) 5.228 9.016 ( 0.000 -2.641 10.100) 10.439 9.047 ( 0.000 1.321 -8.977) 9.073 9.366 ( 0.000 -14.567 -9.216) 17.238 9.438 ( 0.000 -3.400 -3.019) 4.547 9.663 ( 0.000 -3.948 -6.427) 7.543 9.704 ( 0.000 -4.254 -9.190) 10.127 9.778 ( 0.000 -9.087 -8.357) 12.346 10.346 ( 0.000 7.132 -0.566) 7.155 10.394 ( 0.000 12.355 -4.149) 13.033 10.802 ( 0.000 3.342 -3.573) 4.892 10.823 ( 0.000 9.382 -6.425) 11.371 11.015 ( 0.000 1.073 -0.093) 1.077 11.037 ( 0.000 5.313 -1.329) 5.477 11.657 ( 0.000 -0.733 2.260) 2.376 11.687 ( 0.000 -4.613 1.027) 4.726 11.903 ( 0.000 -0.460 -2.132) 2.181 11.913 ( 0.000 1.367 -0.696) 1.534 12.062 ( 0.000 5.426 -0.079) 5.427 12.106 ( 0.000 6.416 0.133) 6.418 12.544 ( 0.000 -1.248 9.039) 9.125 12.874 ( 0.000 -8.979 1.820) 9.161 12.956 ( 0.000 -7.368 5.295) 9.074 13.034 ( 0.000 -2.764 13.074) 13.363 13.294 ( 0.000 -8.951 -1.877) 9.146 13.328 ( 0.000 0.486 3.994) 4.024 13.611 ( 0.000 2.056 -6.539) 6.855 13.735 ( 0.000 5.062 -10.597) 11.744 14.316 ( 0.000 3.966 -1.053) 4.103 14.440 ( 0.000 3.487 -5.825) 6.789 15.189 ( 0.000 -8.461 17.089) 19.069 15.732 ( 0.000 -13.926 -9.360) 16.779 19.247 ( 0.000 -1.157 5.764) 5.879 19.443 ( 0.000 -3.241 -1.634) 3.629 19.735 ( 0.000 -3.041 8.079) 8.632 19.962 ( 0.000 -5.797 -0.007) 5.797 20.187 ( 0.000 10.513 -0.945) 10.555 20.202 ( 0.000 10.607 -0.721) 10.632 20.251 ( 0.000 7.524 -2.335) 7.878 20.483 ( 0.000 9.715 -16.364) 19.030 21.674 ( 0.000 -0.462 1.757) 1.816 21.716 ( 0.000 0.080 0.849) 0.853 21.771 ( 0.000 -1.606 -2.126) 2.664 21.800 ( 0.000 0.276 -2.723) 2.737 22.695 ( 0.000 1.095 6.903) 6.990 22.719 ( 0.000 0.104 5.670) 5.671 23.236 ( 0.000 -3.632 9.238) 9.926 23.550 ( 0.000 -6.268 -6.669) 9.152 ======================= Grid point 186 (65/90) ======================= q-point: ( 0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.952 ( 4.757 -0.522 21.771) 22.291 3.048 ( 3.082 14.007 24.629) 28.500 3.222 ( -7.407 0.543 7.301) 10.414 3.236 ( -6.285 6.402 8.525) 12.376 3.447 ( -3.322 0.698 0.580) 3.444 3.493 ( 0.262 5.167 3.845) 6.446 3.676 ( 0.999 9.281 -4.624) 10.417 3.786 ( -0.778 5.786 -8.665) 10.448 4.579 ( 10.186 -0.039 -9.871) 14.184 4.654 ( 3.829 4.097 -11.450) 12.749 4.739 ( -1.146 13.442 -9.971) 16.775 4.796 ( 3.599 9.611 -14.018) 17.373 5.068 ( 0.373 1.809 8.377) 8.578 5.227 ( 0.301 -4.042 -0.087) 4.054 5.293 ( -0.819 -0.003 -0.431) 0.925 5.434 ( -4.807 -3.963 -8.403) 10.461 5.690 ( 9.219 -5.586 15.342) 18.750 5.803 ( 4.928 -5.028 7.539) 10.315 6.030 ( -3.972 -2.639 -1.403) 4.971 6.109 ( -1.335 -8.296 -2.574) 8.788 6.338 ( -3.762 4.890 2.885) 6.811 6.392 ( -14.726 -1.980 1.737) 14.960 6.631 ( -2.775 -1.632 -1.598) 3.594 6.746 ( 2.318 3.264 -5.748) 7.005 7.029 ( 5.355 -3.174 -0.090) 6.226 7.171 ( -2.321 -2.251 -1.886) 3.743 7.230 ( -0.931 1.110 7.816) 7.949 7.366 ( -1.804 -1.699 5.301) 5.852 7.501 ( 2.034 4.046 0.262) 4.536 7.663 ( -4.684 9.506 -3.348) 11.113 7.906 ( 7.061 6.947 1.249) 9.983 8.157 ( -3.021 3.436 -8.077) 9.283 8.293 ( 2.565 -1.643 -0.021) 3.047 8.377 ( -0.904 -1.100 -3.588) 3.860 8.801 ( 1.033 -0.576 3.885) 4.061 8.815 ( 0.518 1.030 2.755) 2.986 8.962 ( 3.248 0.889 -1.896) 3.865 9.023 ( 0.141 0.420 4.581) 4.602 9.154 ( 8.415 -4.276 -4.499) 10.456 9.388 ( 2.009 -14.677 -8.885) 17.274 9.465 ( 2.447 -3.797 -5.138) 6.842 9.609 ( -4.741 -3.777 -4.718) 7.681 9.652 ( -3.750 -4.487 -11.390) 12.804 9.730 ( -4.269 -7.714 -10.148) 13.443 10.348 ( 0.726 7.728 0.104) 7.763 10.404 ( -0.057 12.058 -2.181) 12.254 10.780 ( 0.357 -0.320 -4.248) 4.275 10.852 ( -0.094 6.110 -7.253) 9.484 11.042 ( 3.657 4.038 0.804) 5.507 11.094 ( 3.607 9.393 -1.815) 10.224 11.515 ( -7.309 1.464 1.045) 7.527 11.587 ( -8.340 0.396 -1.816) 8.545 11.938 ( 3.924 -2.281 2.961) 5.419 11.999 ( 1.730 -2.503 3.367) 4.538 12.096 ( 2.222 3.442 -2.826) 4.977 12.121 ( 1.626 5.429 -2.306) 6.119 12.596 ( 5.071 -2.097 8.857) 10.419 12.887 ( -0.512 -10.843 8.794) 13.970 12.952 ( 0.088 -5.558 -2.309) 6.019 13.022 ( -1.517 -3.242 9.682) 10.323 13.190 ( -3.990 -2.438 7.247) 8.625 13.316 ( -3.337 -2.754 -0.740) 4.389 13.631 ( 1.419 2.493 -8.197) 8.685 13.712 ( -1.777 4.532 -10.733) 11.785 14.351 ( 3.379 3.640 0.534) 4.995 14.468 ( 0.944 3.343 -3.888) 5.214 15.242 ( 5.100 -9.048 12.800) 16.484 15.632 ( -8.253 -12.702 -5.643) 16.165 19.300 ( 4.474 -0.968 6.538) 7.981 19.480 ( 1.098 -2.228 2.314) 3.395 19.732 ( 1.333 -5.993 2.513) 6.634 19.930 ( -2.922 -7.370 -1.194) 8.017 20.199 ( 0.848 9.357 -0.924) 9.441 20.211 ( 0.610 10.565 -1.043) 10.634 20.259 ( 1.097 9.786 -3.353) 10.402 20.430 ( -4.341 11.441 -14.269) 18.798 21.680 ( 0.531 -0.335 1.618) 1.735 21.710 ( -0.486 0.062 0.971) 1.088 21.775 ( 0.321 -1.452 -2.185) 2.643 21.795 ( -0.420 -0.140 -2.573) 2.611 22.706 ( 0.923 0.869 6.906) 7.021 22.727 ( 0.439 0.303 5.956) 5.980 23.262 ( 2.573 -3.887 7.069) 8.468 23.487 ( -5.167 -5.724 -4.168) 8.766 ======================= Grid point 187 (66/90) ======================= q-point: (-0.50 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.059 ( -5.380 -0.467 8.882) 10.395 3.059 ( 5.380 -0.467 8.882) 10.395 3.132 ( -4.179 10.849 17.118) 20.693 3.132 ( 4.179 10.849 17.118) 20.693 3.445 ( -2.940 2.142 4.597) 5.862 3.445 ( 2.940 2.142 4.597) 5.862 3.741 ( -2.976 6.911 -5.397) 9.260 3.741 ( 2.976 6.911 -5.397) 9.260 4.696 ( -1.569 12.178 -9.544) 15.551 4.696 ( 1.569 12.178 -9.544) 15.551 4.790 ( -6.211 0.870 -9.570) 11.442 4.790 ( 6.211 0.870 -9.570) 11.442 5.152 ( -6.382 -0.200 4.007) 7.538 5.152 ( 6.382 -0.200 4.007) 7.538 5.321 ( -4.198 -5.604 -6.004) 9.224 5.321 ( 4.198 -5.604 -6.004) 9.224 5.923 ( -4.833 2.807 10.869) 12.222 5.923 ( 4.833 2.807 10.869) 12.222 6.026 ( -15.567 -7.973 2.734) 17.702 6.026 ( 15.567 -7.973 2.734) 17.702 6.159 ( -7.370 -7.546 -3.753) 11.196 6.159 ( 7.370 -7.546 -3.753) 11.196 6.713 ( -5.916 11.330 0.088) 12.782 6.713 ( 5.916 11.330 0.088) 12.782 7.095 ( -3.947 -2.698 -2.585) 5.435 7.095 ( 3.947 -2.698 -2.585) 5.435 7.294 ( -4.422 -1.288 6.538) 7.997 7.294 ( 4.422 -1.288 6.538) 7.997 7.564 ( -3.788 7.542 -1.463) 8.565 7.564 ( 3.788 7.542 -1.463) 8.565 8.059 ( -5.892 3.866 -5.296) 8.816 8.059 ( 5.892 3.866 -5.296) 8.816 8.346 ( -1.928 -2.221 -1.839) 3.469 8.346 ( 1.928 -2.221 -1.839) 3.469 8.819 ( -0.358 0.583 3.830) 3.890 8.819 ( 0.358 0.583 3.830) 3.890 9.017 ( -1.136 -0.060 1.696) 2.042 9.017 ( 1.136 -0.060 1.696) 2.042 9.352 ( -7.615 -10.483 -3.393) 13.394 9.352 ( 7.615 -10.483 -3.393) 13.394 9.535 ( -2.836 -4.609 -8.134) 9.769 9.535 ( 2.836 -4.609 -8.134) 9.769 9.613 ( -3.970 -5.118 -12.336) 13.933 9.613 ( 3.970 -5.118 -12.336) 13.933 10.380 ( -1.716 9.690 0.319) 9.846 10.380 ( 1.716 9.690 0.319) 9.846 10.818 ( -2.350 -0.251 -6.056) 6.501 10.818 ( 2.350 -0.251 -6.056) 6.501 11.132 ( -2.080 10.832 -0.665) 11.050 11.132 ( 2.080 10.832 -0.665) 11.050 11.439 ( -2.528 2.015 -1.141) 3.429 11.439 ( 2.528 2.015 -1.141) 3.429 11.998 ( -1.398 -2.704 4.615) 5.528 11.998 ( 1.398 -2.704 4.615) 5.528 12.135 ( -0.959 2.509 -3.229) 4.200 12.135 ( 0.959 2.509 -3.229) 4.200 12.763 ( -8.709 -5.767 7.805) 13.039 12.763 ( 8.709 -5.767 7.805) 13.039 12.982 ( -1.661 -6.046 4.327) 7.618 12.982 ( 1.661 -6.046 4.327) 7.618 13.210 ( -4.616 -0.826 3.419) 5.804 13.210 ( 4.616 -0.826 3.419) 5.804 13.669 ( -1.932 3.416 -10.090) 10.826 13.669 ( 1.932 3.416 -10.090) 10.826 14.439 ( -3.403 3.242 0.069) 4.701 14.439 ( 3.403 3.242 0.069) 4.701 15.416 ( -9.813 -10.534 3.045) 14.715 15.416 ( 9.813 -10.534 3.045) 14.715 19.420 ( -5.372 -0.719 7.493) 9.248 19.420 ( 5.372 -0.719 7.493) 9.248 19.830 ( -5.753 -9.458 -3.451) 11.596 19.830 ( 5.753 -9.458 -3.451) 11.596 20.214 ( -0.378 8.501 -0.916) 8.559 20.214 ( 0.378 8.501 -0.916) 8.559 20.322 ( -4.446 13.722 -8.427) 16.705 20.322 ( 4.446 13.722 -8.427) 16.705 21.695 ( -0.757 -0.078 1.282) 1.491 21.695 ( 0.757 -0.078 1.282) 1.491 21.784 ( -0.481 -0.930 -2.326) 2.551 21.784 ( 0.481 -0.930 -2.326) 2.551 22.726 ( -0.589 0.571 6.624) 6.675 22.726 ( 0.589 0.571 6.624) 6.675 23.356 ( -5.641 -4.662 1.561) 7.482 23.356 ( 5.641 -4.662 1.561) 7.482 ======================= Grid point 190 (67/90) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.950 ( 0.000 6.098 22.304) 23.122 3.332 ( 0.000 14.763 16.101) 21.844 3.359 ( 0.000 -0.803 3.018) 3.123 3.384 ( 0.000 4.575 9.435) 10.486 3.507 ( 0.000 0.416 1.520) 1.576 3.721 ( 0.000 18.765 10.907) 21.704 3.924 ( 0.000 7.126 -4.330) 8.338 3.926 ( 0.000 11.668 -2.246) 11.882 4.391 ( 0.000 -2.326 -12.912) 13.119 4.547 ( 0.000 -0.305 -12.967) 12.971 5.077 ( 0.000 8.129 -4.868) 9.475 5.135 ( 0.000 3.714 3.865) 5.361 5.142 ( 0.000 17.949 -4.142) 18.421 5.173 ( 0.000 4.204 1.539) 4.477 5.323 ( 0.000 -1.943 3.340) 3.864 5.346 ( 0.000 -3.276 -0.761) 3.364 5.471 ( 0.000 -8.802 2.610) 9.181 5.617 ( 0.000 -3.939 -2.544) 4.689 6.001 ( 0.000 -4.661 -9.256) 10.363 6.103 ( 0.000 2.943 3.612) 4.659 6.436 ( 0.000 -8.599 -1.165) 8.678 6.466 ( 0.000 -17.573 -4.758) 18.205 6.500 ( 0.000 5.175 2.140) 5.600 6.795 ( 0.000 6.824 -5.223) 8.594 6.843 ( 0.000 4.935 4.094) 6.412 7.266 ( 0.000 6.176 -2.950) 6.844 7.342 ( 0.000 2.192 5.615) 6.028 7.387 ( 0.000 2.915 4.789) 5.606 7.481 ( 0.000 0.878 -0.777) 1.173 7.697 ( 0.000 -7.206 -7.843) 10.651 7.998 ( 0.000 3.794 7.694) 8.579 8.241 ( 0.000 -2.875 -4.120) 5.024 8.266 ( 0.000 3.967 3.890) 5.556 8.493 ( 0.000 9.624 -5.933) 11.306 8.777 ( 0.000 -1.806 2.117) 2.782 8.825 ( 0.000 -0.675 -1.041) 1.240 8.887 ( 0.000 -4.780 0.831) 4.851 8.977 ( 0.000 -3.173 -9.385) 9.907 9.032 ( 0.000 -9.629 -0.612) 9.649 9.126 ( 0.000 4.124 -6.657) 7.831 9.343 ( 0.000 -5.727 -4.548) 7.313 9.550 ( 0.000 -8.641 -11.621) 14.482 9.587 ( 0.000 -6.393 -5.003) 8.118 9.592 ( 0.000 -9.360 -4.376) 10.333 10.515 ( 0.000 9.451 4.207) 10.346 10.644 ( 0.000 10.820 -3.398) 11.341 10.922 ( 0.000 9.687 2.208) 9.935 10.957 ( 0.000 2.967 0.514) 3.011 11.149 ( 0.000 12.861 -5.669) 14.055 11.154 ( 0.000 5.478 -5.088) 7.477 11.583 ( 0.000 -5.005 0.614) 5.042 11.612 ( 0.000 -3.695 -0.762) 3.773 11.928 ( 0.000 3.733 3.432) 5.071 11.941 ( 0.000 0.746 5.615) 5.665 12.174 ( 0.000 5.806 -2.052) 6.158 12.244 ( 0.000 6.338 -3.286) 7.139 12.514 ( 0.000 -2.527 3.544) 4.353 12.678 ( 0.000 -10.216 7.161) 12.476 12.779 ( 0.000 -10.243 -1.473) 10.349 12.995 ( 0.000 -2.700 3.918) 4.758 13.084 ( 0.000 -8.674 4.445) 9.747 13.324 ( 0.000 0.608 0.241) 0.654 13.647 ( 0.000 0.465 0.496) 0.680 13.820 ( 0.000 2.508 -7.718) 8.115 14.405 ( 0.000 4.558 -1.685) 4.860 14.518 ( 0.000 3.958 -5.818) 7.037 14.983 ( 0.000 -11.097 13.831) 17.732 15.399 ( 0.000 -18.235 -5.677) 19.098 19.231 ( 0.000 -0.307 4.294) 4.305 19.372 ( 0.000 -3.609 -1.868) 4.064 19.688 ( 0.000 -1.710 8.468) 8.639 19.842 ( 0.000 -5.786 1.608) 6.005 20.412 ( 0.000 11.415 -2.274) 11.639 20.441 ( 0.000 11.887 -5.117) 12.942 20.447 ( 0.000 11.566 -2.999) 11.949 20.690 ( 0.000 10.324 -14.784) 18.032 21.659 ( 0.000 -0.982 1.132) 1.498 21.704 ( 0.000 -1.646 0.253) 1.665 21.745 ( 0.000 -0.490 0.025) 0.490 21.808 ( 0.000 0.389 -2.168) 2.203 22.727 ( 0.000 0.925 5.956) 6.028 22.731 ( 0.000 2.685 5.871) 6.456 23.138 ( 0.000 -6.056 8.782) 10.668 23.385 ( 0.000 -10.016 -3.401) 10.578 ======================= Grid point 191 (68/90) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.981 ( 2.631 3.568 17.838) 18.381 3.226 ( -8.591 0.439 2.325) 8.911 3.311 ( -2.960 2.494 5.122) 6.420 3.346 ( -2.155 11.187 16.638) 20.164 3.471 ( 0.004 4.477 5.092) 6.780 3.724 ( -3.164 14.911 9.404) 17.911 3.894 ( 0.214 11.849 -2.044) 12.026 3.928 ( 0.134 8.571 -3.972) 9.448 4.573 ( 12.561 -0.769 -8.536) 15.206 4.660 ( 7.119 -1.900 -7.494) 10.509 4.975 ( -5.204 0.134 -1.625) 5.453 5.019 ( -6.498 7.121 -2.909) 10.070 5.177 ( -0.993 0.435 3.479) 3.644 5.209 ( 1.873 16.577 -0.806) 16.702 5.290 ( 1.349 0.473 0.234) 1.448 5.384 ( -3.761 3.924 -5.800) 7.949 5.576 ( 12.249 -4.170 -2.302) 13.143 5.691 ( 5.082 -7.443 0.090) 9.013 5.956 ( -2.010 -4.347 -7.919) 9.254 6.052 ( -3.634 1.453 8.151) 9.042 6.274 ( -12.765 -8.925 -7.080) 17.110 6.300 ( -11.020 -3.979 1.055) 11.763 6.633 ( 9.663 1.855 2.404) 10.129 6.801 ( 4.845 0.345 -3.727) 6.123 7.066 ( 9.257 6.640 2.248) 11.612 7.214 ( -4.033 2.735 1.374) 5.063 7.272 ( -5.090 5.341 3.273) 8.072 7.358 ( -1.422 1.529 0.790) 2.232 7.554 ( 4.832 1.047 -0.101) 4.945 7.714 ( -0.070 -2.661 -3.642) 4.511 8.045 ( 4.158 4.185 3.049) 6.641 8.210 ( -2.297 0.687 -2.853) 3.727 8.274 ( 0.985 1.094 1.803) 2.328 8.451 ( -3.697 7.790 -5.338) 10.141 8.802 ( 1.657 -0.677 1.871) 2.589 8.831 ( 0.525 -1.425 0.557) 1.617 8.898 ( 2.332 -6.966 -0.566) 7.368 9.013 ( -1.335 -3.725 0.178) 3.961 9.058 ( 4.317 -10.467 -6.387) 13.000 9.132 ( 0.749 1.142 -7.755) 7.874 9.360 ( 1.667 -6.288 -6.205) 8.990 9.502 ( -4.667 -8.474 -7.413) 12.187 9.524 ( -2.152 -6.291 -8.504) 10.795 9.581 ( -2.644 -7.245 -7.064) 10.459 10.516 ( 0.936 8.935 4.964) 10.264 10.667 ( -1.522 13.214 0.943) 13.334 10.790 ( -1.024 1.546 -1.990) 2.720 11.004 ( -5.953 8.101 -7.359) 12.458 11.161 ( 9.414 7.541 2.030) 12.231 11.303 ( 6.590 10.736 -3.874) 13.180 11.525 ( -4.542 -1.304 0.935) 4.817 11.580 ( -3.164 -0.842 -1.415) 3.567 11.927 ( -0.021 1.530 3.775) 4.073 11.936 ( -0.349 -1.971 4.991) 5.378 12.172 ( 0.186 4.002 -2.477) 4.710 12.229 ( -1.403 4.061 -3.840) 5.762 12.557 ( 3.693 -2.290 4.380) 6.170 12.685 ( 0.097 -9.520 7.230) 11.955 12.791 ( 1.121 -10.036 -0.727) 10.124 12.943 ( -4.911 -7.239 -1.377) 8.855 13.097 ( 2.574 -1.558 9.233) 9.711 13.289 ( -3.217 0.649 0.957) 3.419 13.674 ( 2.079 0.706 -2.322) 3.196 13.791 ( -2.380 2.242 -7.462) 8.147 14.435 ( 2.975 4.511 -0.084) 5.404 14.546 ( 0.922 4.226 -3.955) 5.861 15.019 ( 3.742 -12.414 10.243) 16.524 15.325 ( -6.225 -16.975 -3.535) 18.423 19.287 ( 4.693 -0.211 4.938) 6.815 19.426 ( 3.584 -2.991 -0.272) 4.677 19.643 ( -2.924 -3.125 6.056) 7.416 19.791 ( -4.358 -6.385 0.535) 7.749 20.413 ( 0.095 11.282 -2.309) 11.516 20.420 ( -0.458 11.364 -2.981) 11.757 20.504 ( 3.395 12.355 -5.958) 14.130 20.660 ( -2.526 11.052 -13.158) 17.368 21.668 ( 0.721 -0.860 1.078) 1.556 21.701 ( -0.328 -1.150 0.650) 1.361 21.748 ( 0.428 -0.876 -0.601) 1.145 21.794 ( -1.116 -0.004 -1.948) 2.245 22.732 ( 0.655 1.613 6.336) 6.571 22.745 ( 0.691 2.037 5.816) 6.201 23.157 ( 1.938 -6.536 7.043) 9.802 23.335 ( -4.100 -9.271 -1.619) 10.266 ======================= Grid point 192 (69/90) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.066 ( -5.260 1.543 6.849) 8.773 3.066 ( 5.260 1.543 6.849) 8.773 3.284 ( -1.269 2.446 8.472) 8.909 3.284 ( 1.269 2.446 8.472) 8.909 3.580 ( -7.739 11.243 10.670) 17.324 3.580 ( 7.739 11.243 10.670) 17.324 3.918 ( -1.088 10.638 -2.431) 10.966 3.918 ( 1.088 10.638 -2.431) 10.966 4.799 ( -2.354 1.361 -4.142) 4.955 4.799 ( 2.354 1.361 -4.142) 4.955 4.871 ( -4.212 -2.001 -3.744) 5.980 4.871 ( 4.212 -2.001 -3.744) 5.980 5.191 ( -1.928 5.125 3.262) 6.374 5.191 ( 1.928 5.125 3.262) 6.374 5.326 ( -2.320 10.164 -5.821) 11.940 5.326 ( 2.320 10.164 -5.821) 11.940 5.800 ( -1.984 -9.802 -3.639) 10.642 5.800 ( 1.984 -9.802 -3.639) 10.642 5.992 ( -7.911 -3.474 -7.789) 11.632 5.992 ( 7.911 -3.474 -7.789) 11.632 6.051 ( -6.841 0.821 7.152) 9.931 6.051 ( 6.841 0.821 7.152) 9.931 6.845 ( -5.643 0.019 2.308) 6.097 6.845 ( 5.643 0.019 2.308) 6.097 7.118 ( -3.440 5.672 -0.621) 6.663 7.118 ( 3.440 5.672 -0.621) 6.663 7.298 ( -4.556 2.531 1.948) 5.563 7.298 ( 4.556 2.531 1.948) 5.563 7.661 ( -4.243 1.596 -0.201) 4.538 7.661 ( 4.243 1.596 -0.201) 4.538 8.143 ( -3.725 4.015 -1.204) 5.607 8.143 ( 3.725 4.015 -1.204) 5.607 8.343 ( -5.084 2.344 -2.622) 6.182 8.343 ( 5.084 2.344 -2.622) 6.182 8.831 ( -0.768 -0.546 1.667) 1.915 8.831 ( 0.768 -0.546 1.667) 1.915 8.969 ( -2.773 -7.371 0.164) 7.877 8.969 ( 2.773 -7.371 0.164) 7.877 9.129 ( -2.131 -6.877 -5.860) 9.283 9.129 ( 2.131 -6.877 -5.860) 9.283 9.417 ( -3.073 -7.353 -8.635) 11.751 9.417 ( 3.073 -7.353 -8.635) 11.751 9.509 ( -2.087 -5.048 -8.519) 10.120 9.509 ( 2.087 -5.048 -8.519) 10.120 10.573 ( -4.136 9.057 5.422) 11.338 10.573 ( 4.136 9.057 5.422) 11.338 10.874 ( -5.596 5.451 -6.549) 10.194 10.874 ( 5.596 5.451 -6.549) 10.194 11.349 ( -6.169 9.401 1.103) 11.299 11.349 ( 6.169 9.401 1.103) 11.299 11.482 ( -4.348 2.471 -2.055) 5.407 11.482 ( 4.348 2.471 -2.055) 5.407 11.929 ( -0.220 -2.380 4.255) 4.881 11.929 ( 0.220 -2.380 4.255) 4.881 12.192 ( -1.538 2.257 -3.646) 4.556 12.192 ( 1.538 2.257 -3.646) 4.556 12.650 ( -3.560 -5.644 5.830) 8.861 12.650 ( 3.560 -5.644 5.830) 8.861 12.837 ( -3.416 -8.776 0.187) 9.420 12.837 ( 3.416 -8.776 0.187) 9.420 13.190 ( -5.049 0.936 4.556) 6.865 13.190 ( 5.049 0.936 4.556) 6.865 13.730 ( -2.822 1.525 -5.900) 6.716 13.730 ( 2.822 1.525 -5.900) 6.716 14.516 ( -3.317 4.318 0.012) 5.445 14.516 ( 3.317 4.318 0.012) 5.445 15.156 ( -7.866 -14.579 2.211) 16.713 15.156 ( 7.866 -14.579 2.211) 16.713 19.411 ( -5.205 -0.027 5.743) 7.750 19.411 ( 5.205 -0.027 5.743) 7.750 19.669 ( -5.455 -6.975 -0.707) 8.883 19.669 ( 5.455 -6.975 -0.707) 8.883 20.415 ( -0.087 11.257 -2.417) 11.514 20.415 ( 0.087 11.257 -2.417) 11.514 20.587 ( -3.784 12.203 -9.424) 15.875 20.587 ( 3.784 12.203 -9.424) 15.875 21.687 ( -0.877 -0.736 0.980) 1.507 21.687 ( 0.877 -0.736 0.980) 1.507 21.767 ( -1.169 -0.790 -1.420) 2.002 21.767 ( 1.169 -0.790 -1.420) 2.002 22.748 ( -0.491 1.840 6.300) 6.581 22.748 ( 0.491 1.840 6.300) 6.581 23.231 ( -4.501 -7.767 2.669) 9.365 23.231 ( 4.501 -7.767 2.669) 9.365 ======================= Grid point 195 (70/90) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.100 ( 0.000 8.228 16.226) 18.193 3.316 ( 0.000 -2.504 2.906) 3.836 3.446 ( 0.000 3.379 4.799) 5.869 3.512 ( 0.000 -0.093 1.132) 1.136 3.666 ( 0.000 15.389 16.794) 22.779 4.023 ( 0.000 1.308 6.726) 6.852 4.042 ( 0.000 12.765 7.172) 14.642 4.140 ( 0.000 8.540 2.323) 8.850 4.369 ( 0.000 0.971 -11.264) 11.306 4.513 ( 0.000 -3.409 -8.448) 9.109 5.017 ( 0.000 -1.973 4.215) 4.654 5.112 ( 0.000 -6.189 1.053) 6.278 5.196 ( 0.000 -6.620 -3.998) 7.733 5.233 ( 0.000 -7.075 -0.799) 7.120 5.362 ( 0.000 7.985 -4.297) 9.068 5.381 ( 0.000 5.457 14.711) 15.690 5.556 ( 0.000 -1.427 -1.802) 2.299 5.576 ( 0.000 6.979 -13.028) 14.779 5.940 ( 0.000 -1.191 -9.690) 9.763 6.078 ( 0.000 -6.175 -0.717) 6.216 6.264 ( 0.000 0.668 -1.667) 1.796 6.466 ( 0.000 7.926 -8.117) 11.345 6.597 ( 0.000 5.732 0.978) 5.814 6.863 ( 0.000 -0.154 -7.532) 7.534 6.998 ( 0.000 11.311 5.854) 12.736 7.343 ( 0.000 1.117 -0.159) 1.129 7.362 ( 0.000 0.314 2.113) 2.136 7.456 ( 0.000 -7.423 -3.087) 8.039 7.510 ( 0.000 9.770 1.731) 9.922 7.655 ( 0.000 8.442 -3.639) 9.193 7.993 ( 0.000 -1.135 5.762) 5.873 8.124 ( 0.000 -8.340 -0.509) 8.356 8.254 ( 0.000 -10.097 2.912) 10.508 8.384 ( 0.000 -22.825 -4.034) 23.179 8.742 ( 0.000 4.646 1.202) 4.799 8.826 ( 0.000 7.054 -3.244) 7.764 8.905 ( 0.000 3.518 -4.907) 6.038 8.933 ( 0.000 5.248 -4.595) 6.975 9.107 ( 0.000 3.730 -2.386) 4.428 9.175 ( 0.000 -0.632 -6.081) 6.114 9.249 ( 0.000 -2.074 -5.922) 6.275 9.349 ( 0.000 -9.957 -11.100) 14.911 9.420 ( 0.000 -7.671 -2.198) 7.980 9.459 ( 0.000 -6.851 -3.840) 7.854 10.690 ( 0.000 7.649 5.104) 9.195 10.775 ( 0.000 3.170 0.414) 3.197 11.005 ( 0.000 2.612 0.835) 2.742 11.172 ( 0.000 13.870 3.782) 14.376 11.189 ( 0.000 -3.083 -6.437) 7.137 11.408 ( 0.000 11.757 -5.121) 12.824 11.513 ( 0.000 -2.704 1.840) 3.271 11.571 ( 0.000 0.555 -0.210) 0.593 11.950 ( 0.000 1.698 9.371) 9.524 12.045 ( 0.000 7.706 6.453) 10.051 12.283 ( 0.000 -5.081 1.738) 5.370 12.294 ( 0.000 6.179 -1.386) 6.333 12.415 ( 0.000 -7.224 1.527) 7.384 12.504 ( 0.000 -4.867 0.178) 4.871 12.595 ( 0.000 -7.611 -4.103) 8.647 12.777 ( 0.000 -13.172 -6.585) 14.727 13.157 ( 0.000 9.801 8.961) 13.281 13.385 ( 0.000 4.982 -2.152) 5.427 13.609 ( 0.000 -3.678 5.235) 6.398 13.798 ( 0.000 -5.161 -4.572) 6.895 14.485 ( 0.000 3.513 -1.873) 3.982 14.572 ( 0.000 0.708 -4.741) 4.794 14.821 ( 0.000 -3.515 7.717) 8.480 15.073 ( 0.000 -14.049 -3.183) 14.405 19.237 ( 0.000 0.863 2.707) 2.841 19.309 ( 0.000 -2.746 -0.654) 2.823 19.669 ( 0.000 -0.119 7.401) 7.402 19.744 ( 0.000 -4.019 3.749) 5.496 20.609 ( 0.000 7.896 -5.463) 9.602 20.629 ( 0.000 6.773 -7.210) 9.892 20.668 ( 0.000 10.238 -3.945) 10.971 20.841 ( 0.000 3.902 -12.578) 13.169 21.643 ( 0.000 -0.414 0.709) 0.821 21.669 ( 0.000 -1.478 -0.094) 1.481 21.749 ( 0.000 0.891 1.580) 1.814 21.807 ( 0.000 -0.704 -1.224) 1.412 22.761 ( 0.000 2.659 6.262) 6.803 22.800 ( 0.000 4.052 4.412) 5.990 23.017 ( 0.000 -5.426 8.034) 9.695 23.179 ( 0.000 -10.332 0.146) 10.333 ======================= Grid point 196 (71/90) ======================= q-point: ( 0.25 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.078 ( -0.609 5.725 12.031) 13.338 3.224 ( -5.495 -0.957 2.002) 5.926 3.354 ( -6.430 2.224 3.693) 7.742 3.410 ( -7.889 -0.257 2.360) 8.239 3.694 ( 2.948 13.520 14.532) 20.067 3.968 ( -6.825 9.273 4.932) 12.526 4.045 ( 1.433 2.650 7.309) 7.906 4.122 ( -0.670 7.213 5.073) 8.844 4.549 ( 12.483 -0.876 -6.807) 14.246 4.593 ( 6.482 -3.732 -3.717) 8.352 4.977 ( -5.969 1.851 -1.535) 6.435 4.993 ( -5.331 -1.104 -0.501) 5.467 5.168 ( 2.710 -5.173 5.865) 8.276 5.279 ( -2.667 4.250 10.012) 11.199 5.424 ( 6.707 -10.609 -4.896) 13.473 5.491 ( 4.052 1.495 -4.551) 6.275 5.594 ( 5.078 8.362 -4.547) 10.789 5.652 ( 4.367 6.184 -8.134) 11.112 5.901 ( -1.480 -1.075 -9.048) 9.231 6.047 ( -1.517 -3.478 -0.412) 3.817 6.173 ( -7.345 4.759 -4.555) 9.867 6.387 ( -8.904 12.308 -7.975) 17.157 6.621 ( 4.607 -4.056 2.271) 6.544 6.776 ( -1.723 -3.136 -3.182) 4.788 7.198 ( 9.635 5.931 3.011) 11.708 7.279 ( -2.698 4.405 1.935) 5.516 7.368 ( -4.492 0.943 -1.216) 4.748 7.397 ( -0.118 0.786 -0.749) 1.092 7.590 ( 4.911 5.425 1.061) 7.394 7.724 ( 2.039 7.870 -0.436) 8.142 8.045 ( 6.464 -2.019 1.390) 6.913 8.160 ( 1.084 -4.863 -2.252) 5.467 8.262 ( 2.495 -9.522 4.125) 10.673 8.411 ( 2.754 -17.025 -2.259) 17.394 8.712 ( -3.511 -1.066 1.238) 3.873 8.753 ( -6.195 3.552 -1.378) 7.273 8.908 ( 0.585 3.212 -5.187) 6.128 8.941 ( 0.399 4.113 -4.698) 6.257 9.101 ( -0.381 2.286 -3.025) 3.810 9.145 ( -2.389 -1.689 -6.071) 6.739 9.257 ( 0.783 -2.318 -6.800) 7.226 9.321 ( -1.896 -7.602 -10.245) 12.897 9.406 ( -0.524 -5.724 -3.521) 6.740 9.448 ( -1.224 -6.449 -4.666) 8.054 10.685 ( 0.487 7.878 5.357) 9.539 10.832 ( 2.889 1.931 -0.881) 3.585 10.872 ( -5.725 7.148 4.292) 10.114 11.100 ( -6.136 -0.511 -4.629) 7.703 11.312 ( 7.469 7.630 1.156) 10.740 11.459 ( 2.009 4.630 -4.480) 6.749 11.517 ( 0.997 1.672 0.944) 2.163 11.575 ( 0.223 0.856 -1.058) 1.378 11.945 ( -0.179 3.142 8.278) 8.856 12.017 ( -2.311 7.540 5.931) 9.868 12.237 ( -2.350 -3.127 0.835) 4.000 12.260 ( -2.503 3.694 -0.624) 4.505 12.462 ( 3.060 -8.107 2.109) 8.918 12.527 ( 1.204 -4.404 -0.252) 4.573 12.606 ( 1.103 -8.116 -2.844) 8.670 12.734 ( -3.309 -11.535 -4.843) 12.941 13.200 ( 3.621 9.938 7.062) 12.718 13.368 ( -1.872 7.162 -0.554) 7.424 13.630 ( 1.908 -5.163 2.433) 6.018 13.765 ( -2.728 -5.281 -4.090) 7.215 14.520 ( 3.168 4.046 -0.614) 5.175 14.619 ( 2.555 2.499 -4.467) 5.721 14.813 ( 0.327 -6.722 6.669) 9.474 15.019 ( -4.587 -13.241 -2.330) 14.205 19.295 ( 4.897 0.990 3.271) 5.972 19.370 ( 4.981 -2.623 -0.133) 5.631 19.607 ( -5.041 -0.527 6.301) 8.086 19.685 ( -5.020 -4.365 2.731) 7.192 20.610 ( 0.486 8.417 -5.029) 9.818 20.639 ( -0.053 9.752 -5.804) 11.349 20.695 ( 2.602 6.682 -6.000) 9.350 20.820 ( -1.831 4.188 -11.441) 12.320 21.656 ( 1.040 -0.106 0.714) 1.265 21.679 ( 0.753 -0.738 0.005) 1.055 21.740 ( -0.577 0.060 1.132) 1.272 21.787 ( -1.631 -0.921 -1.050) 2.148 22.776 ( 1.203 3.128 6.254) 7.095 22.811 ( 0.527 4.368 4.660) 6.409 23.022 ( 0.796 -6.629 6.968) 9.650 23.143 ( -2.999 -9.737 1.175) 10.256 ======================= Grid point 197 (72/90) ======================= q-point: (-0.50 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.121 ( -4.236 3.889 4.492) 7.297 3.121 ( 4.236 3.889 4.492) 7.297 3.274 ( -2.024 -2.464 3.339) 4.617 3.274 ( 2.024 -2.464 3.339) 4.617 3.803 ( -6.771 10.966 10.358) 16.535 3.803 ( 6.771 10.966 10.358) 16.535 4.084 ( -2.048 3.147 6.164) 7.217 4.084 ( 2.048 3.147 6.164) 7.217 4.765 ( -5.581 -1.677 -1.343) 5.980 4.765 ( 5.581 -1.677 -1.343) 5.980 4.848 ( -7.004 0.699 -2.858) 7.597 4.848 ( 7.004 0.699 -2.858) 7.597 5.230 ( -2.136 1.469 7.930) 8.343 5.230 ( 2.136 1.469 7.930) 8.343 5.510 ( -1.867 -6.260 -2.834) 7.121 5.510 ( 1.867 -6.260 -2.834) 7.121 5.713 ( -1.573 8.421 -6.776) 10.922 5.713 ( 1.573 8.421 -6.776) 10.922 5.946 ( -6.696 -2.155 -13.204) 14.961 5.946 ( 6.696 -2.155 -13.204) 14.961 6.160 ( -8.565 12.393 -0.301) 15.068 6.160 ( 8.565 12.393 -0.301) 15.068 6.737 ( -3.792 -9.670 0.964) 10.432 6.737 ( 3.792 -9.670 0.964) 10.432 7.272 ( -2.713 7.554 -0.129) 8.027 7.272 ( 2.713 7.554 -0.129) 8.027 7.353 ( -4.042 1.595 -0.000) 4.345 7.353 ( 4.042 1.595 -0.000) 4.345 7.694 ( -3.681 5.125 2.304) 6.717 7.694 ( 3.681 5.125 2.304) 6.717 8.162 ( -1.338 -4.645 -0.909) 4.918 8.162 ( 1.338 -4.645 -0.909) 4.918 8.407 ( -8.321 3.277 -0.542) 8.959 8.407 ( 8.321 3.277 -0.542) 8.959 8.634 ( -3.268 -13.531 1.788) 14.035 8.634 ( 3.268 -13.531 1.788) 14.035 8.932 ( -1.195 3.273 -5.257) 6.307 8.932 ( 1.195 3.273 -5.257) 6.307 9.102 ( -0.847 -0.276 -4.992) 5.071 9.102 ( 0.847 -0.276 -4.992) 5.071 9.284 ( -1.462 -4.037 -8.535) 9.555 9.284 ( 1.462 -4.037 -8.535) 9.555 9.414 ( -1.282 -4.830 -4.964) 7.043 9.414 ( 1.282 -4.830 -4.964) 7.043 10.734 ( -4.051 7.725 5.090) 10.099 10.734 ( 4.051 7.725 5.090) 10.099 10.960 ( -6.024 0.762 -2.007) 6.395 10.960 ( 6.024 0.762 -2.007) 6.395 11.437 ( -3.455 2.739 -0.337) 4.422 11.437 ( 3.455 2.739 -0.337) 4.422 11.563 ( -1.707 2.971 -2.125) 4.032 11.563 ( 1.707 2.971 -2.125) 4.032 11.962 ( -1.986 5.947 6.186) 8.808 11.962 ( 1.986 5.947 6.186) 8.808 12.217 ( -0.765 0.091 0.298) 0.826 12.217 ( 0.765 0.091 0.298) 0.826 12.521 ( -1.817 -6.636 0.973) 6.949 12.521 ( 1.817 -6.636 0.973) 6.949 12.656 ( -3.258 -9.028 -2.581) 9.939 12.656 ( 3.258 -9.028 -2.581) 9.939 13.296 ( -4.313 9.469 3.227) 10.894 13.296 ( 4.313 9.469 3.227) 10.894 13.692 ( -3.407 -5.765 -1.986) 6.985 13.692 ( 3.407 -5.765 -1.986) 6.985 14.605 ( -3.495 4.775 -0.290) 5.925 14.605 ( 3.495 4.775 -0.290) 5.925 14.891 ( -5.953 -11.519 0.552) 12.978 14.891 ( 5.953 -11.519 0.552) 12.978 19.425 ( -4.918 1.496 4.199) 6.638 19.425 ( 4.918 1.496 4.199) 6.638 19.552 ( -5.004 -5.005 1.402) 7.215 19.552 ( 5.004 -5.005 1.402) 7.215 20.627 ( -0.825 9.676 -4.840) 10.851 20.627 ( 0.825 9.676 -4.840) 10.851 20.763 ( -3.098 4.955 -8.869) 10.621 20.763 ( 3.098 4.955 -8.869) 10.621 21.681 ( -0.879 0.548 0.712) 1.257 21.681 ( 0.879 0.548 0.712) 1.257 21.747 ( -1.483 -1.401 -0.395) 2.078 21.747 ( 1.483 -1.401 -0.395) 2.078 22.805 ( -1.066 4.129 5.745) 7.155 22.805 ( 1.066 4.129 5.745) 7.155 23.067 ( -3.191 -8.476 3.883) 9.855 23.067 ( 3.191 -8.476 3.883) 9.855 ======================= Grid point 200 (73/90) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.240 ( 0.000 -5.559 9.042) 10.614 3.240 ( 0.000 5.559 9.042) 10.614 3.496 ( 0.000 -1.639 2.174) 2.722 3.496 ( 0.000 1.639 2.174) 2.722 3.929 ( 0.000 -10.325 13.023) 16.619 3.929 ( 0.000 10.325 13.023) 16.619 4.201 ( 0.000 -2.952 5.392) 6.148 4.201 ( 0.000 2.952 5.392) 6.148 4.429 ( 0.000 -4.277 -7.260) 8.426 4.429 ( 0.000 4.277 -7.260) 8.426 5.059 ( 0.000 -5.693 -1.717) 5.946 5.059 ( 0.000 5.693 -1.717) 5.946 5.096 ( 0.000 -4.674 -0.496) 4.700 5.096 ( 0.000 4.674 -0.496) 4.700 5.444 ( 0.000 -0.396 3.382) 3.406 5.444 ( 0.000 0.396 3.382) 3.406 5.570 ( 0.000 -2.744 -4.618) 5.371 5.570 ( 0.000 2.744 -4.618) 5.371 5.966 ( 0.000 -3.937 -6.402) 7.515 5.966 ( 0.000 3.937 -6.402) 7.515 6.426 ( 0.000 -9.422 -0.896) 9.465 6.426 ( 0.000 9.422 -0.896) 9.465 6.781 ( 0.000 -8.222 -9.093) 12.259 6.781 ( 0.000 8.222 -9.093) 12.259 7.256 ( 0.000 -12.385 -0.318) 12.389 7.256 ( 0.000 12.385 -0.318) 12.389 7.358 ( 0.000 -0.501 1.959) 2.022 7.358 ( 0.000 0.501 1.959) 2.022 7.776 ( 0.000 -12.610 -1.043) 12.653 7.776 ( 0.000 12.610 -1.043) 12.653 7.980 ( 0.000 -7.300 1.911) 7.546 7.980 ( 0.000 7.300 1.911) 7.546 8.046 ( 0.000 -5.572 1.402) 5.746 8.046 ( 0.000 5.572 1.402) 5.746 8.861 ( 0.000 -3.051 -1.765) 3.525 8.861 ( 0.000 3.051 -1.765) 3.525 9.046 ( 0.000 -6.560 -5.622) 8.639 9.046 ( 0.000 6.560 -5.622) 8.639 9.069 ( 0.000 -8.157 -5.887) 10.060 9.069 ( 0.000 8.157 -5.887) 10.060 9.270 ( 0.000 -0.453 -4.319) 4.343 9.270 ( 0.000 0.453 -4.319) 4.343 9.343 ( 0.000 -2.416 -4.497) 5.105 9.343 ( 0.000 2.416 -4.497) 5.105 10.788 ( 0.000 -1.950 3.875) 4.338 10.788 ( 0.000 1.950 3.875) 4.338 11.082 ( 0.000 -5.623 -3.543) 6.646 11.082 ( 0.000 5.623 -3.543) 6.646 11.407 ( 0.000 -9.091 4.003) 9.934 11.407 ( 0.000 9.091 4.003) 9.934 11.565 ( 0.000 -3.517 -2.084) 4.088 11.565 ( 0.000 3.517 -2.084) 4.088 12.071 ( 0.000 -10.060 10.507) 14.547 12.071 ( 0.000 10.060 10.507) 14.547 12.233 ( 0.000 -8.873 4.276) 9.849 12.233 ( 0.000 8.873 4.276) 9.849 12.431 ( 0.000 -6.117 -3.260) 6.931 12.431 ( 0.000 6.117 -3.260) 6.931 12.569 ( 0.000 -6.694 -8.383) 10.728 12.569 ( 0.000 6.694 -8.383) 10.728 13.362 ( 0.000 -8.990 3.699) 9.721 13.362 ( 0.000 8.990 3.699) 9.721 13.645 ( 0.000 -8.384 0.192) 8.387 13.645 ( 0.000 8.384 0.192) 8.387 14.544 ( 0.000 -2.608 -2.043) 3.313 14.544 ( 0.000 2.608 -2.043) 3.313 14.865 ( 0.000 -6.957 -0.006) 6.957 14.865 ( 0.000 6.957 -0.006) 6.957 19.264 ( 0.000 -1.846 1.041) 2.119 19.264 ( 0.000 1.846 1.041) 2.119 19.686 ( 0.000 -1.896 5.698) 6.005 19.686 ( 0.000 1.896 5.698) 6.005 20.694 ( 0.000 -0.430 -6.654) 6.668 20.694 ( 0.000 0.430 -6.654) 6.668 20.825 ( 0.000 -5.118 -8.550) 9.965 20.825 ( 0.000 5.118 -8.550) 9.965 21.647 ( 0.000 -0.752 0.395) 0.849 21.647 ( 0.000 0.752 0.395) 0.849 21.779 ( 0.000 -1.875 0.372) 1.912 21.779 ( 0.000 1.875 0.372) 1.912 22.825 ( 0.000 -2.790 5.733) 6.376 22.825 ( 0.000 2.790 5.733) 6.376 23.007 ( 0.000 -5.942 3.979) 7.151 23.007 ( 0.000 5.942 3.979) 7.151 ======================= Grid point 202 (74/90) ======================= q-point: ( 0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.178 ( -2.961 -3.882 6.167) 7.866 3.178 ( -2.961 3.882 6.167) 7.866 3.391 ( -8.514 -1.493 1.915) 8.854 3.391 ( -8.514 1.493 1.915) 8.854 3.941 ( 1.478 -10.614 11.944) 16.047 3.941 ( 1.478 10.614 11.944) 16.047 4.126 ( -5.730 -5.439 5.898) 9.859 4.126 ( -5.730 5.439 5.898) 9.859 4.557 ( 10.525 -0.861 -3.342) 11.076 4.557 ( 10.525 0.861 -3.342) 11.076 5.000 ( -5.405 -2.737 1.580) 6.261 5.000 ( -5.405 2.737 1.580) 6.261 5.198 ( 6.785 -10.033 -2.427) 12.352 5.198 ( 6.785 10.033 -2.427) 12.352 5.394 ( -2.784 -6.807 4.885) 8.829 5.394 ( -2.784 6.807 4.885) 8.829 5.700 ( 8.417 -1.055 -7.695) 11.453 5.700 ( 8.417 1.055 -7.695) 11.453 5.940 ( -1.776 -5.195 -8.193) 9.862 5.940 ( -1.776 5.195 -8.193) 9.862 6.422 ( 0.198 -13.340 -0.610) 13.356 6.422 ( 0.198 13.340 -0.610) 13.356 6.654 ( -8.683 -9.595 -7.223) 14.820 6.654 ( -8.683 9.595 -7.223) 14.820 7.303 ( 2.646 -4.814 0.011) 5.493 7.303 ( 2.646 4.814 0.011) 5.493 7.366 ( 0.303 -3.090 0.371) 3.127 7.366 ( 0.303 3.090 0.371) 3.127 7.856 ( 4.107 -19.197 1.046) 19.659 7.856 ( 4.107 19.197 1.046) 19.659 7.978 ( -1.587 -13.221 0.812) 13.341 7.978 ( -1.587 13.221 0.812) 13.341 8.131 ( 10.896 -3.172 1.553) 11.454 8.131 ( 10.896 3.172 1.553) 11.454 8.777 ( -8.860 -2.728 -0.120) 9.272 8.777 ( -8.860 2.728 -0.120) 9.272 9.017 ( -1.003 -4.779 -5.835) 7.609 9.017 ( -1.003 4.779 -5.835) 7.609 9.054 ( -1.137 -4.313 -7.570) 8.786 9.054 ( -1.137 4.313 -7.570) 8.786 9.285 ( 1.210 -1.057 -4.452) 4.733 9.285 ( 1.210 1.057 -4.452) 4.733 9.337 ( -0.606 -2.370 -4.620) 5.228 9.337 ( -0.606 2.370 -4.620) 5.228 10.810 ( 2.047 -4.372 3.585) 6.013 10.810 ( 2.047 4.372 3.585) 6.013 11.002 ( -5.648 -7.003 -0.529) 9.013 11.002 ( -5.648 7.003 -0.529) 9.013 11.459 ( 3.483 -6.312 1.065) 7.287 11.459 ( 3.483 6.312 1.065) 7.287 11.564 ( -0.460 -3.469 -2.234) 4.151 11.564 ( -0.460 3.469 -2.234) 4.151 12.081 ( 1.105 -9.388 9.168) 13.169 12.081 ( 1.105 9.388 9.168) 13.169 12.200 ( -2.828 -8.913 5.017) 10.612 12.200 ( -2.828 8.913 5.017) 10.612 12.447 ( 1.738 -6.272 -3.651) 7.463 12.447 ( 1.738 6.272 -3.651) 7.463 12.554 ( -1.474 -5.533 -6.515) 8.673 12.554 ( -1.474 5.533 -6.515) 8.673 13.409 ( 3.926 -8.767 2.592) 9.950 13.409 ( 3.926 8.767 2.592) 9.950 13.609 ( -3.141 -8.248 0.270) 8.830 13.609 ( -3.141 8.248 0.270) 8.830 14.596 ( 4.351 -3.688 -1.413) 5.876 14.596 ( 4.351 3.688 -1.413) 5.876 14.822 ( -3.669 -6.497 -0.043) 7.461 14.822 ( -3.669 6.497 -0.043) 7.461 19.324 ( 5.148 -1.968 1.511) 5.714 19.324 ( 5.148 1.968 1.511) 5.714 19.622 ( -5.404 -2.023 4.731) 7.462 19.622 ( -5.404 2.023 4.731) 7.462 20.719 ( 1.976 -1.906 -6.661) 7.204 20.719 ( 1.976 1.906 -6.661) 7.204 20.810 ( -1.317 -4.682 -8.082) 9.432 20.810 ( -1.317 4.682 -8.082) 9.432 21.665 ( 1.554 -0.835 0.346) 1.798 21.665 ( 1.554 0.835 0.346) 1.798 21.758 ( -1.744 -1.662 0.339) 2.433 21.758 ( -1.744 1.662 0.339) 2.433 22.850 ( 2.189 -3.237 5.513) 6.757 22.850 ( 2.189 3.237 5.513) 6.757 22.979 ( -2.363 -5.444 4.276) 7.315 22.979 ( -2.363 5.444 4.276) 7.315 ======================= Grid point 204 (75/90) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.205 ( -4.768 -3.876 2.807) 6.756 3.205 ( -1.368 -3.132 2.807) 4.423 3.205 ( 1.368 3.132 2.807) 4.423 3.205 ( 4.768 3.876 2.807) 6.756 4.006 ( -4.198 -8.994 9.284) 13.591 4.006 ( 3.888 -8.960 9.284) 13.475 4.006 ( -3.888 8.960 9.284) 13.475 4.006 ( 4.198 8.994 9.284) 13.591 4.813 ( -9.664 -3.310 -0.595) 10.232 4.813 ( -7.608 -1.443 -0.595) 7.766 4.813 ( 7.608 1.443 -0.595) 7.766 4.813 ( 9.664 3.310 -0.595) 10.232 5.323 ( -4.034 -8.446 3.476) 9.984 5.323 ( 4.034 -8.446 3.476) 9.984 5.323 ( -4.034 8.446 3.476) 9.984 5.323 ( 4.034 8.446 3.476) 9.984 5.868 ( -4.815 -5.576 -11.177) 13.387 5.868 ( 1.445 -5.082 -11.177) 12.363 5.868 ( -1.445 5.082 -11.177) 12.363 5.868 ( 4.815 5.576 -11.177) 13.387 6.480 ( -5.608 -16.364 -1.960) 17.409 6.480 ( 5.508 -16.356 -1.960) 17.369 6.480 ( -5.508 16.356 -1.960) 17.369 6.480 ( 5.608 16.364 -1.960) 17.409 7.352 ( -1.551 -1.372 -0.863) 2.244 7.352 ( 0.794 -1.199 -0.863) 1.677 7.352 ( -0.794 1.199 -0.863) 1.677 7.352 ( 1.551 1.372 -0.863) 2.244 7.924 ( -2.701 -16.080 2.156) 16.447 7.924 ( 2.696 -16.080 2.156) 16.446 7.924 ( -2.696 16.080 2.156) 16.446 7.924 ( 2.701 16.080 2.156) 16.447 8.474 ( -16.226 -3.760 0.718) 16.671 8.474 ( -14.652 1.410 0.718) 14.737 8.474 ( 14.652 -1.410 0.718) 14.737 8.474 ( 16.226 3.760 0.718) 16.671 9.025 ( -0.961 -5.788 -7.305) 9.370 9.025 ( 0.838 -5.783 -7.305) 9.355 9.025 ( -0.838 5.783 -7.305) 9.355 9.025 ( 0.961 5.788 -7.305) 9.370 9.315 ( -0.576 -4.930 -4.625) 6.785 9.315 ( 0.270 -4.923 -4.625) 6.761 9.315 ( -0.270 4.923 -4.625) 6.761 9.315 ( 0.576 4.930 -4.625) 6.785 10.883 ( -4.407 -6.999 2.334) 8.594 10.883 ( 4.165 -6.962 2.334) 8.441 10.883 ( -4.165 6.962 2.334) 8.441 10.883 ( 4.407 6.999 2.334) 8.594 11.530 ( -2.142 -5.150 -1.542) 5.786 11.530 ( 1.587 -5.099 -1.542) 5.559 11.530 ( -1.587 5.099 -1.542) 5.559 11.530 ( 2.142 5.150 -1.542) 5.786 12.128 ( -2.999 -9.021 6.683) 11.621 12.128 ( 2.946 -9.017 6.683) 11.603 12.128 ( -2.946 9.017 6.683) 11.603 12.128 ( 2.999 9.021 6.683) 11.621 12.503 ( -2.756 -5.361 -4.300) 7.405 12.503 ( 2.630 -5.346 -4.300) 7.348 12.503 ( -2.630 5.346 -4.300) 7.348 12.503 ( 2.756 5.361 -4.300) 7.405 13.514 ( -4.031 -11.287 0.964) 12.024 13.514 ( 2.992 -11.206 0.964) 11.639 13.514 ( -2.992 11.206 0.964) 11.639 13.514 ( 4.031 11.287 0.964) 12.024 14.714 ( -4.956 -6.696 -0.443) 8.342 14.714 ( 2.816 -6.378 -0.443) 6.986 14.714 ( -2.816 6.378 -0.443) 6.986 14.714 ( 4.956 6.696 -0.443) 8.342 19.471 ( -6.794 -2.907 2.889) 7.934 19.471 ( -3.982 -0.936 2.889) 5.007 19.471 ( 3.982 0.936 2.889) 5.007 19.471 ( 6.794 2.907 2.889) 7.934 20.769 ( -2.074 -4.039 -7.157) 8.476 20.769 ( 1.719 -3.997 -7.157) 8.376 20.769 ( -1.719 3.997 -7.157) 8.376 20.769 ( 2.074 4.039 -7.157) 8.476 21.710 ( -1.866 -1.987 0.302) 2.742 21.710 ( 0.039 -1.754 0.302) 1.781 21.710 ( -0.039 1.754 0.302) 1.781 21.710 ( 1.866 1.987 0.302) 2.742 22.913 ( -2.387 -6.777 4.933) 8.716 22.913 ( 1.452 -6.711 4.933) 8.454 22.913 ( -1.452 6.711 4.933) 8.454 22.913 ( 2.387 6.777 4.933) 8.716 ======================= Grid point 225 (76/90) ======================= 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.304 ( 0.000 0.000 -8.096) 8.096 3.304 ( 0.000 0.000 8.096) 8.096 3.349 ( 0.000 0.000 -12.844) 12.844 3.349 ( 0.000 0.000 12.844) 12.844 3.473 ( 0.000 0.000 -3.553) 3.553 3.473 ( 0.000 0.000 3.553) 3.553 3.533 ( 0.000 0.000 -3.889) 3.889 3.533 ( 0.000 0.000 3.889) 3.889 4.272 ( 0.000 0.000 -2.536) 2.536 4.272 ( 0.000 0.000 2.536) 2.536 4.443 ( 0.000 0.000 -0.010) 0.010 4.443 ( 0.000 0.000 0.010) 0.010 5.183 ( 0.000 0.000 -7.349) 7.349 5.183 ( 0.000 0.000 7.349) 7.349 5.351 ( 0.000 0.000 -2.975) 2.975 5.351 ( 0.000 0.000 2.975) 2.975 5.979 ( 0.000 0.000 -2.949) 2.949 5.979 ( 0.000 0.000 2.949) 2.949 6.159 ( 0.000 0.000 -2.046) 2.046 6.159 ( 0.000 0.000 2.046) 2.046 6.266 ( 0.000 0.000 -8.350) 8.350 6.266 ( 0.000 0.000 8.350) 8.350 6.830 ( 0.000 0.000 -8.051) 8.051 6.830 ( 0.000 0.000 8.051) 8.051 7.262 ( 0.000 0.000 -9.090) 9.090 7.262 ( 0.000 0.000 9.090) 9.090 7.298 ( 0.000 0.000 -12.360) 12.360 7.298 ( 0.000 0.000 12.360) 12.360 7.477 ( 0.000 0.000 -0.630) 0.630 7.477 ( 0.000 0.000 0.630) 0.630 7.901 ( 0.000 0.000 -13.921) 13.921 7.901 ( 0.000 0.000 13.921) 13.921 8.313 ( 0.000 0.000 -3.776) 3.776 8.313 ( 0.000 0.000 3.776) 3.776 8.850 ( 0.000 0.000 -1.233) 1.233 8.850 ( 0.000 0.000 1.233) 1.233 8.863 ( 0.000 0.000 -3.217) 3.217 8.863 ( 0.000 0.000 3.217) 3.217 9.306 ( 0.000 0.000 -11.291) 11.291 9.306 ( 0.000 0.000 11.291) 11.291 9.528 ( 0.000 0.000 -7.390) 7.390 9.528 ( 0.000 0.000 7.390) 7.390 9.739 ( 0.000 0.000 -3.739) 3.739 9.739 ( 0.000 0.000 3.739) 3.739 10.208 ( 0.000 0.000 -0.271) 0.271 10.208 ( 0.000 0.000 0.271) 0.271 10.676 ( 0.000 0.000 -1.665) 1.665 10.676 ( 0.000 0.000 1.665) 1.665 11.004 ( 0.000 0.000 -0.714) 0.714 11.004 ( 0.000 0.000 0.714) 0.714 11.718 ( 0.000 0.000 -2.628) 2.628 11.718 ( 0.000 0.000 2.628) 2.628 11.858 ( 0.000 0.000 -1.228) 1.228 11.858 ( 0.000 0.000 1.228) 1.228 12.045 ( 0.000 0.000 -0.994) 0.994 12.045 ( 0.000 0.000 0.994) 0.994 12.789 ( 0.000 0.000 -10.807) 10.807 12.789 ( 0.000 0.000 10.807) 10.807 13.341 ( 0.000 0.000 -5.606) 5.606 13.341 ( 0.000 0.000 5.606) 5.606 13.359 ( 0.000 0.000 -2.048) 2.048 13.359 ( 0.000 0.000 2.048) 2.048 13.396 ( 0.000 0.000 -8.025) 8.025 13.396 ( 0.000 0.000 8.025) 8.025 14.300 ( 0.000 0.000 -3.591) 3.591 14.300 ( 0.000 0.000 3.591) 3.591 15.612 ( 0.000 0.000 -15.131) 15.131 15.612 ( 0.000 0.000 15.131) 15.131 19.392 ( 0.000 0.000 -6.184) 6.184 19.392 ( 0.000 0.000 6.184) 6.184 20.024 ( 0.000 0.000 -15.360) 15.360 20.024 ( 0.000 0.000 15.360) 15.360 20.033 ( 0.000 0.000 -1.280) 1.280 20.033 ( 0.000 0.000 1.280) 1.280 20.145 ( 0.000 0.000 -1.573) 1.573 20.145 ( 0.000 0.000 1.573) 1.573 21.727 ( 0.000 0.000 -2.242) 2.242 21.727 ( 0.000 0.000 2.242) 2.242 21.747 ( 0.000 0.000 -1.489) 1.489 21.747 ( 0.000 0.000 1.489) 1.489 22.769 ( 0.000 0.000 -0.843) 0.843 22.769 ( 0.000 0.000 0.843) 0.843 23.448 ( 0.000 0.000 -8.436) 8.436 23.448 ( 0.000 0.000 8.436) 8.436 ======================= Grid point 227 (77/90) ======================= 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.248 ( -10.218 0.000 -6.073) 11.887 3.248 ( -10.218 0.000 6.074) 11.887 3.250 ( -2.837 0.000 -6.977) 7.532 3.250 ( -2.837 0.000 6.977) 7.532 3.496 ( 3.177 0.000 -5.971) 6.764 3.496 ( 3.177 0.000 5.971) 6.764 3.549 ( 4.483 0.000 -6.421) 7.831 3.549 ( 4.483 0.000 6.421) 7.831 4.433 ( -0.795 0.000 -0.880) 1.186 4.433 ( -0.795 0.000 0.880) 1.186 4.480 ( 11.934 0.000 -4.601) 12.790 4.480 ( 11.934 0.000 4.601) 12.790 5.187 ( 0.161 0.000 -5.942) 5.944 5.187 ( 0.161 0.000 5.942) 5.944 5.328 ( -1.570 0.000 -5.255) 5.484 5.328 ( -1.570 0.000 5.255) 5.484 5.975 ( 0.003 0.000 -2.781) 2.781 5.975 ( 0.003 0.000 2.781) 2.781 6.214 ( 3.994 0.000 -4.883) 6.309 6.214 ( 3.994 0.000 4.883) 6.309 6.242 ( -0.774 0.000 -8.319) 8.355 6.242 ( -0.774 0.000 8.319) 8.355 6.670 ( -11.526 0.000 -6.732) 13.348 6.670 ( -11.526 0.000 6.732) 13.348 7.197 ( -4.723 0.000 -6.932) 8.388 7.197 ( -4.723 0.000 6.932) 8.388 7.371 ( 4.340 0.000 -8.593) 9.627 7.371 ( 4.340 0.000 8.593) 9.627 7.476 ( -0.074 0.000 -0.567) 0.571 7.476 ( -0.074 0.000 0.567) 0.571 7.891 ( -0.729 0.000 -9.776) 9.804 7.891 ( -0.729 0.000 9.776) 9.804 8.338 ( 1.655 0.000 -2.441) 2.949 8.338 ( 1.655 0.000 2.441) 2.949 8.860 ( 0.745 0.000 -1.040) 1.280 8.860 ( 0.745 0.000 1.040) 1.280 8.952 ( 6.114 0.000 -3.309) 6.952 8.952 ( 6.114 0.000 3.309) 6.952 9.342 ( 3.710 0.000 -9.824) 10.501 9.342 ( 3.710 0.000 9.824) 10.501 9.511 ( -1.198 0.000 -5.386) 5.518 9.511 ( -1.198 0.000 5.386) 5.518 9.667 ( -6.209 0.000 -4.023) 7.398 9.667 ( -6.209 0.000 4.023) 7.398 10.222 ( 0.965 0.000 -0.823) 1.269 10.222 ( 0.965 0.000 0.823) 1.269 10.723 ( 3.555 0.000 -1.048) 3.706 10.723 ( 3.555 0.000 1.048) 3.706 11.000 ( -0.300 0.000 -0.554) 0.630 11.000 ( -0.300 0.000 0.554) 0.630 11.525 ( -9.594 0.000 -2.149) 9.832 11.525 ( -9.594 0.000 2.149) 9.832 12.029 ( 7.658 0.000 -2.545) 8.070 12.029 ( 7.658 0.000 2.545) 8.070 12.044 ( -0.070 0.000 -0.705) 0.709 12.044 ( -0.070 0.000 0.705) 0.709 12.831 ( 3.829 0.000 -9.990) 10.699 12.831 ( 3.829 0.000 9.990) 10.699 13.261 ( -7.609 0.000 -5.380) 9.318 13.261 ( -7.609 0.000 5.380) 9.318 13.343 ( 0.095 0.000 -4.201) 4.202 13.343 ( 0.095 0.000 4.201) 4.202 13.395 ( -0.090 0.000 -5.910) 5.911 13.395 ( -0.090 0.000 5.910) 5.911 14.352 ( 3.593 0.000 -3.318) 4.891 14.352 ( 3.593 0.000 3.318) 4.891 15.585 ( -1.967 0.000 -10.893) 11.069 15.585 ( -1.967 0.000 10.893) 11.069 19.458 ( 5.128 0.000 -6.534) 8.306 19.458 ( 5.128 0.000 6.534) 8.306 19.969 ( -4.383 0.000 -12.889) 13.614 19.969 ( -4.383 0.000 12.889) 13.614 20.033 ( -0.048 0.000 -0.892) 0.894 20.033 ( -0.048 0.000 0.892) 0.894 20.146 ( 0.052 0.000 -1.100) 1.101 20.146 ( 0.052 0.000 1.100) 1.101 21.727 ( -0.065 0.000 -1.550) 1.551 21.727 ( -0.065 0.000 1.550) 1.551 21.749 ( 0.130 0.000 -1.048) 1.057 21.749 ( 0.130 0.000 1.048) 1.057 22.781 ( 0.829 0.000 -0.673) 1.068 22.781 ( 0.829 0.000 0.673) 1.068 23.430 ( -1.305 0.000 -6.046) 6.185 23.430 ( -1.305 0.000 6.046) 6.185 ======================= Grid point 229 (78/90) ======================= 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.107 ( 0.000 0.000 0.000) 0.000 3.107 ( 0.000 0.000 0.000) 0.000 3.216 ( 0.000 0.000 -0.000) 0.000 3.216 ( 0.000 0.000 0.000) 0.000 3.558 ( 0.000 0.000 0.000) 0.000 3.558 ( 0.000 0.000 0.000) 0.000 3.607 ( 0.000 0.000 0.000) 0.000 3.607 ( 0.000 0.000 0.000) 0.000 4.421 ( 0.000 0.000 0.000) 0.000 4.421 ( 0.000 0.000 0.000) 0.000 4.627 ( 0.000 0.000 0.000) 0.000 4.627 ( 0.000 0.000 0.000) 0.000 5.187 ( 0.000 0.000 0.000) 0.000 5.187 ( 0.000 0.000 0.000) 0.000 5.307 ( -0.000 0.000 0.000) 0.000 5.307 ( 0.000 0.000 0.000) 0.000 5.981 ( 0.000 0.000 0.000) 0.000 5.981 ( 0.000 0.000 0.000) 0.000 6.266 ( 0.000 0.000 0.000) 0.000 6.266 ( 0.000 0.000 0.000) 0.000 6.273 ( -0.000 0.000 0.000) 0.000 6.273 ( 0.000 0.000 0.000) 0.000 6.476 ( -0.000 0.000 0.000) 0.000 6.476 ( 0.000 0.000 0.000) 0.000 7.128 ( 0.000 0.000 0.000) 0.000 7.128 ( 0.000 0.000 0.000) 0.000 7.426 ( 0.000 0.000 0.000) 0.000 7.426 ( 0.000 0.000 0.000) 0.000 7.475 ( 0.000 0.000 0.000) 0.000 7.475 ( 0.000 0.000 0.000) 0.000 7.880 ( 0.000 0.000 -0.000) 0.000 7.880 ( 0.000 0.000 0.000) 0.000 8.360 ( 0.000 0.000 0.000) 0.000 8.360 ( 0.000 0.000 0.000) 0.000 8.871 ( 0.000 0.000 0.000) 0.000 8.871 ( 0.000 0.000 0.000) 0.000 9.034 ( 0.000 0.000 0.000) 0.000 9.034 ( 0.000 0.000 0.000) 0.000 9.481 ( -0.000 0.000 -0.000) 0.000 9.481 ( -0.000 0.000 0.000) 0.000 9.494 ( 0.000 0.000 0.000) 0.000 9.494 ( 0.000 0.000 0.000) 0.000 9.496 ( 0.000 0.000 -0.000) 0.000 9.496 ( 0.000 0.000 0.000) 0.000 10.236 ( 0.000 0.000 0.000) 0.000 10.236 ( 0.000 0.000 0.000) 0.000 10.779 ( 0.000 0.000 0.000) 0.000 10.779 ( -0.000 0.000 0.000) 0.000 10.996 ( 0.000 0.000 0.000) 0.000 10.996 ( 0.000 0.000 0.000) 0.000 11.400 ( -0.000 0.000 0.000) 0.000 11.400 ( 0.000 0.000 0.000) 0.000 12.043 ( 0.000 0.000 0.000) 0.000 12.043 ( 0.000 0.000 0.000) 0.000 12.119 ( 0.000 0.000 0.000) 0.000 12.119 ( 0.000 0.000 0.000) 0.000 12.914 ( 0.000 0.000 0.000) 0.000 12.914 ( 0.000 0.000 0.000) 0.000 13.127 ( -0.000 0.000 0.000) 0.000 13.127 ( 0.000 0.000 0.000) 0.000 13.344 ( 0.000 0.000 -0.000) 0.000 13.344 ( 0.000 0.000 0.000) 0.000 13.394 ( 0.000 0.000 0.000) 0.000 13.394 ( 0.000 0.000 0.000) 0.000 14.402 ( 0.000 0.000 0.000) 0.000 14.402 ( 0.000 0.000 0.000) 0.000 15.556 ( 0.000 0.000 0.000) 0.000 15.556 ( 0.000 0.000 0.000) 0.000 19.543 ( 0.000 0.000 -0.000) 0.000 19.543 ( 0.000 0.000 0.000) 0.000 19.894 ( 0.000 0.000 0.000) 0.000 19.894 ( 0.000 0.000 0.000) 0.000 20.032 ( 0.000 0.000 0.000) 0.000 20.032 ( 0.000 0.000 0.000) 0.000 20.146 ( 0.000 0.000 0.000) 0.000 20.146 ( 0.000 0.000 0.000) 0.000 21.726 ( 0.000 0.000 -0.000) 0.000 21.726 ( 0.000 0.000 0.000) 0.000 21.751 ( 0.000 0.000 -0.000) 0.000 21.751 ( 0.000 0.000 0.000) 0.000 22.793 ( 0.000 0.000 0.000) 0.000 22.793 ( 0.000 0.000 0.000) 0.000 23.411 ( -0.000 0.000 0.000) 0.000 23.411 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 235 (79/90) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.268 ( 0.000 -1.778 -10.949) 11.092 3.268 ( 0.000 -1.778 10.949) 11.092 3.465 ( 0.000 9.987 -14.692) 17.765 3.465 ( 0.000 9.987 14.692) 17.765 3.520 ( 0.000 2.111 -3.229) 3.858 3.520 ( 0.000 2.111 3.229) 3.858 3.611 ( 0.000 9.532 -3.459) 10.140 3.611 ( 0.000 9.532 3.459) 10.140 4.279 ( 0.000 1.073 -3.648) 3.802 4.279 ( 0.000 1.073 3.648) 3.802 4.620 ( 0.000 16.633 -0.218) 16.635 4.620 ( 0.000 16.633 0.218) 16.635 5.206 ( 0.000 2.194 -5.639) 6.051 5.206 ( 0.000 2.194 5.639) 6.051 5.340 ( 0.000 -1.436 -2.503) 2.886 5.340 ( 0.000 -1.436 2.503) 2.886 5.817 ( 0.000 -13.470 -0.217) 13.472 5.817 ( 0.000 -13.470 0.217) 13.472 6.049 ( 0.000 -3.994 -2.925) 4.951 6.049 ( 0.000 -3.994 2.925) 4.951 6.475 ( 0.000 10.729 -7.509) 13.095 6.475 ( 0.000 10.729 7.509) 13.095 6.745 ( 0.000 -12.548 -4.685) 13.394 6.745 ( 0.000 -12.548 4.685) 13.394 7.027 ( 0.000 -2.969 -12.266) 12.621 7.027 ( 0.000 -2.969 12.266) 12.621 7.446 ( 0.000 1.390 -4.573) 4.780 7.446 ( 0.000 1.390 4.573) 4.780 7.521 ( 0.000 2.064 -11.229) 11.417 7.521 ( 0.000 2.064 11.229) 11.417 8.004 ( 0.000 9.953 -10.101) 14.181 8.004 ( 0.000 9.953 10.101) 14.181 8.304 ( 0.000 -0.344 -3.584) 3.600 8.304 ( 0.000 -0.344 3.584) 3.600 8.822 ( 0.000 -1.269 -0.562) 1.388 8.822 ( 0.000 -1.269 0.562) 1.388 8.905 ( 0.000 2.574 -4.233) 4.954 8.905 ( 0.000 2.574 4.233) 4.954 9.203 ( 0.000 -9.813 -8.076) 12.709 9.203 ( 0.000 -9.813 8.076) 12.709 9.482 ( 0.000 -4.712 -7.211) 8.614 9.482 ( 0.000 -4.712 7.211) 8.614 9.665 ( 0.000 -5.744 -2.305) 6.189 9.665 ( 0.000 -5.744 2.305) 6.189 10.349 ( 0.000 11.768 -0.845) 11.798 10.349 ( 0.000 11.768 0.845) 11.798 10.758 ( 0.000 8.044 -0.005) 8.044 10.758 ( 0.000 8.044 0.005) 8.044 11.020 ( 0.000 1.762 -0.540) 1.843 11.020 ( 0.000 1.762 0.540) 1.843 11.690 ( 0.000 -3.564 -0.762) 3.645 11.690 ( 0.000 -3.564 0.762) 3.645 11.882 ( 0.000 3.367 -0.604) 3.421 11.882 ( 0.000 3.367 0.604) 3.421 12.090 ( 0.000 3.971 -1.578) 4.273 12.090 ( 0.000 3.971 1.578) 4.273 12.741 ( 0.000 -4.501 -9.575) 10.580 12.741 ( 0.000 -4.501 9.575) 10.580 13.136 ( 0.000 -11.110 -5.563) 12.425 13.136 ( 0.000 -11.110 5.563) 12.425 13.332 ( 0.000 -4.658 -5.562) 7.255 13.332 ( 0.000 -4.658 5.562) 7.255 13.561 ( 0.000 9.143 -4.677) 10.270 13.561 ( 0.000 9.143 4.677) 10.270 14.338 ( 0.000 3.512 -3.517) 4.971 14.338 ( 0.000 3.512 3.517) 4.971 15.499 ( 0.000 -10.831 -13.757) 17.509 15.499 ( 0.000 -10.831 13.757) 17.509 19.361 ( 0.000 -2.552 -5.398) 5.971 19.361 ( 0.000 -2.552 5.398) 5.971 19.909 ( 0.000 -5.066 -6.511) 8.250 19.909 ( 0.000 -5.066 6.511) 8.250 20.204 ( 0.000 9.827 -0.227) 9.829 20.204 ( 0.000 9.827 0.227) 9.829 20.240 ( 0.000 9.301 -5.441) 10.776 20.240 ( 0.000 9.301 5.441) 10.776 21.720 ( 0.000 -1.115 -2.639) 2.865 21.720 ( 0.000 -1.115 2.639) 2.865 21.749 ( 0.000 0.526 -2.234) 2.295 21.749 ( 0.000 0.526 2.234) 2.295 22.773 ( 0.000 0.445 -0.588) 0.738 22.773 ( 0.000 0.445 0.588) 0.738 23.404 ( 0.000 -4.342 -7.805) 8.932 23.404 ( 0.000 -4.342 7.805) 8.932 ======================= Grid point 237 (80/90) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.211 ( -6.608 -1.553 -5.659) 8.838 3.211 ( -6.608 -1.553 5.659) 8.838 3.391 ( -4.640 7.971 -3.567) 9.889 3.391 ( -4.640 7.971 3.567) 9.889 3.497 ( 3.054 5.163 -8.808) 10.657 3.497 ( 3.054 5.163 8.808) 10.657 3.641 ( 1.846 7.323 -2.480) 7.949 3.641 ( 1.846 7.323 2.480) 7.949 4.472 ( 10.634 2.337 -3.084) 11.316 4.472 ( 10.634 2.337 3.084) 11.316 4.625 ( 0.798 15.258 -1.361) 15.340 4.625 ( 0.798 15.258 1.361) 15.340 5.206 ( 0.069 1.169 -5.975) 6.089 5.206 ( 0.069 1.169 5.975) 6.089 5.289 ( -3.635 -2.940 -5.464) 7.191 5.289 ( -3.635 -2.940 5.464) 7.191 5.852 ( 3.797 -11.328 -5.100) 12.991 5.852 ( 3.797 -11.328 5.100) 12.991 6.043 ( -0.561 -5.487 -4.980) 7.431 6.043 ( -0.561 -5.487 4.980) 7.431 6.438 ( -8.358 2.986 -3.357) 9.489 6.438 ( -8.358 2.986 3.357) 9.489 6.643 ( 0.308 0.048 -3.798) 3.810 6.643 ( 0.308 0.048 3.798) 3.810 7.092 ( 1.151 -1.697 -5.178) 5.569 7.092 ( 1.151 -1.697 5.178) 5.569 7.410 ( -1.383 -2.847 -4.831) 5.776 7.410 ( -1.383 -2.847 4.831) 5.776 7.544 ( 0.971 6.302 -6.985) 9.458 7.544 ( 0.971 6.302 6.985) 9.458 7.983 ( -1.271 8.553 -7.522) 11.461 7.983 ( -1.271 8.553 7.522) 11.461 8.315 ( 0.807 -1.461 -2.287) 2.831 8.315 ( 0.807 -1.461 2.287) 2.831 8.847 ( 1.604 -1.072 -0.411) 1.972 8.847 ( 1.604 -1.072 0.411) 1.972 8.968 ( 4.248 1.414 -4.007) 6.008 8.968 ( 4.248 1.414 4.007) 6.008 9.233 ( 3.450 -10.587 -7.069) 13.189 9.233 ( 3.450 -10.587 7.069) 13.189 9.464 ( -1.218 -4.734 -5.299) 7.209 9.464 ( -1.218 -4.734 5.299) 7.209 9.596 ( -5.890 -5.358 -2.857) 8.460 9.596 ( -5.890 -5.358 2.857) 8.460 10.370 ( 1.499 12.534 -1.632) 12.728 10.370 ( 1.499 12.534 1.632) 12.728 10.752 ( -0.391 3.022 -2.097) 3.700 10.752 ( -0.391 3.022 2.097) 3.700 11.064 ( 3.570 6.326 -1.301) 7.379 11.064 ( 3.570 6.326 1.301) 7.379 11.545 ( -8.422 1.459 -1.993) 8.776 11.545 ( -8.422 1.459 1.993) 8.776 11.994 ( 5.586 -2.388 -2.739) 6.664 11.994 ( 5.586 -2.388 2.739) 6.664 12.088 ( -0.164 3.599 -1.632) 3.955 12.088 ( -0.164 3.599 1.632) 3.955 12.785 ( 4.014 -4.419 -9.183) 10.953 12.785 ( 4.014 -4.419 9.183) 10.953 13.076 ( -5.153 -10.507 -5.186) 12.800 13.076 ( -5.153 -10.507 5.186) 12.800 13.334 ( 0.185 -4.774 -4.318) 6.440 13.334 ( 0.185 -4.774 4.318) 6.440 13.530 ( -2.018 9.730 -3.914) 10.681 13.530 ( -2.018 9.730 3.914) 10.681 14.389 ( 3.470 3.324 -3.291) 5.824 14.389 ( 3.470 3.324 3.291) 5.824 15.473 ( -1.891 -10.739 -9.975) 14.778 15.473 ( -1.891 -10.739 9.975) 14.778 19.427 ( 5.192 -2.598 -5.637) 8.092 19.427 ( 5.192 -2.598 5.637) 8.092 19.854 ( -4.472 -5.799 -6.675) 9.908 19.854 ( -4.472 -5.799 6.675) 9.908 20.209 ( 0.442 10.138 -1.099) 10.207 20.209 ( 0.442 10.138 1.099) 10.207 20.235 ( -0.470 9.697 -4.074) 10.528 20.235 ( -0.470 9.697 4.074) 10.528 21.724 ( 0.348 -0.835 -2.601) 2.754 21.724 ( 0.348 -0.835 2.601) 2.754 21.744 ( -0.357 0.145 -2.287) 2.319 21.744 ( -0.357 0.145 2.287) 2.319 22.784 ( 0.823 0.439 -0.523) 1.070 22.784 ( 0.823 0.439 0.523) 1.070 23.387 ( -1.241 -4.258 -5.604) 7.146 23.387 ( -1.241 -4.258 5.604) 7.146 ======================= Grid point 239 (81/90) ======================= q-point: (-0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.103 ( 0.000 -0.230 0.000) 0.230 3.103 ( 0.000 -0.230 0.000) 0.230 3.348 ( 0.000 9.600 -0.000) 9.600 3.348 ( 0.000 9.600 -0.000) 9.600 3.571 ( 0.000 4.075 -0.000) 4.075 3.571 ( 0.000 4.075 0.000) 4.075 3.647 ( -0.000 3.873 0.000) 3.873 3.647 ( 0.000 3.873 0.000) 3.873 4.578 ( -0.000 14.678 0.000) 14.678 4.578 ( 0.000 14.678 0.000) 14.678 4.660 ( 0.000 3.252 0.000) 3.252 4.660 ( 0.000 3.252 0.000) 3.252 5.216 ( -0.000 2.967 0.000) 2.967 5.216 ( -0.000 2.967 0.000) 2.967 5.228 ( 0.000 -6.765 -0.000) 6.765 5.228 ( 0.000 -6.765 0.000) 6.765 5.947 ( 0.000 -4.233 0.000) 4.233 5.947 ( 0.000 -4.233 0.000) 4.233 6.045 ( -0.000 -14.301 0.000) 14.301 6.045 ( 0.000 -14.301 0.000) 14.301 6.241 ( -0.000 -2.117 0.000) 2.117 6.241 ( 0.000 -2.117 0.000) 2.117 6.707 ( -0.000 13.559 0.000) 13.559 6.707 ( 0.000 13.559 0.000) 13.559 7.070 ( -0.000 -2.151 0.000) 2.151 7.070 ( 0.000 -2.151 0.000) 2.151 7.403 ( 0.000 -5.572 0.000) 5.572 7.403 ( 0.000 -5.572 0.000) 5.572 7.554 ( 0.000 8.962 0.000) 8.962 7.554 ( 0.000 8.962 0.000) 8.962 7.967 ( 0.000 7.367 -0.000) 7.367 7.967 ( 0.000 7.367 0.000) 7.367 8.327 ( 0.000 -2.506 0.000) 2.506 8.327 ( 0.000 -2.506 0.000) 2.506 8.870 ( 0.000 -0.228 0.000) 0.228 8.870 ( 0.000 -0.228 0.000) 0.228 9.019 ( 0.000 -1.411 0.000) 1.411 9.019 ( 0.000 -1.411 0.000) 1.411 9.334 ( -0.000 -13.311 0.000) 13.311 9.334 ( -0.000 -13.311 0.000) 13.311 9.451 ( -0.000 -5.125 -0.000) 5.125 9.451 ( 0.000 -5.125 0.000) 5.125 9.465 ( 0.000 -1.595 -0.000) 1.595 9.465 ( 0.000 -1.595 0.000) 1.595 10.392 ( 0.000 13.519 0.000) 13.519 10.392 ( 0.000 13.519 0.000) 13.519 10.747 ( 0.000 -1.475 0.000) 1.475 10.747 ( 0.000 -1.475 0.000) 1.475 11.128 ( 0.000 11.084 0.000) 11.084 11.128 ( -0.000 11.084 0.000) 11.084 11.424 ( -0.000 2.168 0.000) 2.168 11.424 ( 0.000 2.168 0.000) 2.168 12.066 ( -0.000 -4.930 -0.000) 4.930 12.066 ( 0.000 -4.930 -0.000) 4.930 12.081 ( -0.000 3.387 0.000) 3.387 12.081 ( 0.000 3.387 0.000) 3.387 12.888 ( -0.000 -2.694 -0.000) 2.694 12.888 ( 0.000 -2.694 -0.000) 2.694 12.956 ( -0.000 -11.233 0.000) 11.233 12.956 ( 0.000 -11.233 0.000) 11.233 13.337 ( 0.000 -4.937 0.000) 4.937 13.337 ( 0.000 -4.937 0.000) 4.937 13.503 ( 0.000 9.983 0.000) 9.983 13.503 ( 0.000 9.983 0.000) 9.983 14.437 ( 0.000 3.226 0.000) 3.226 14.437 ( 0.000 3.226 0.000) 3.226 15.445 ( 0.000 -10.673 0.000) 10.673 15.445 ( 0.000 -10.673 0.000) 10.673 19.517 ( 0.000 -2.112 -0.000) 2.112 19.517 ( 0.000 -2.112 0.000) 2.112 19.773 ( 0.000 -6.966 0.000) 6.966 19.773 ( 0.000 -6.966 0.000) 6.966 20.221 ( -0.000 13.296 0.000) 13.296 20.221 ( 0.000 13.296 0.000) 13.296 20.223 ( -0.000 7.151 -0.000) 7.151 20.223 ( 0.000 7.151 0.000) 7.151 21.732 ( -0.000 0.622 -0.000) 0.622 21.732 ( 0.000 0.622 -0.000) 0.622 21.736 ( 0.000 -1.412 0.000) 1.412 21.736 ( 0.000 -1.412 0.000) 1.412 22.796 ( 0.000 0.434 0.000) 0.434 22.796 ( 0.000 0.434 0.000) 0.434 23.369 ( -0.000 -4.175 0.000) 4.175 23.369 ( 0.000 -4.175 0.000) 4.175 ======================= Grid point 245 (82/90) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.265 ( 0.000 1.332 -8.777) 8.878 3.265 ( 0.000 1.332 8.777) 8.878 3.521 ( 0.000 0.637 -3.294) 3.356 3.521 ( 0.000 0.637 3.294) 3.356 3.715 ( 0.000 11.755 -14.720) 18.838 3.715 ( 0.000 11.755 14.720) 18.838 3.867 ( 0.000 15.687 -3.983) 16.185 3.867 ( 0.000 15.687 3.983) 16.185 4.313 ( 0.000 1.997 -5.950) 6.277 4.313 ( 0.000 1.997 5.950) 6.277 5.011 ( 0.000 19.249 -1.598) 19.315 5.011 ( 0.000 19.249 1.598) 19.315 5.248 ( 0.000 0.866 -0.844) 1.209 5.248 ( 0.000 0.866 0.844) 1.209 5.284 ( 0.000 -3.957 -1.955) 4.413 5.284 ( 0.000 -3.957 1.955) 4.413 5.584 ( 0.000 -7.498 -2.248) 7.827 5.584 ( 0.000 -7.498 2.248) 7.827 5.982 ( 0.000 -3.107 -8.485) 9.036 5.982 ( 0.000 -3.107 8.485) 9.036 6.397 ( 0.000 -14.044 -1.255) 14.100 6.397 ( 0.000 -14.044 1.255) 14.100 6.667 ( 0.000 4.771 -7.777) 9.124 6.667 ( 0.000 4.771 7.777) 9.124 7.113 ( 0.000 7.858 -14.273) 16.294 7.113 ( 0.000 7.858 14.273) 16.294 7.451 ( 0.000 -0.407 -2.560) 2.592 7.451 ( 0.000 -0.407 2.560) 2.592 7.497 ( 0.000 -2.280 -9.798) 10.060 7.497 ( 0.000 -2.280 9.798) 10.060 8.144 ( 0.000 0.652 -6.089) 6.124 8.144 ( 0.000 0.652 6.089) 6.124 8.364 ( 0.000 6.943 -6.217) 9.320 8.364 ( 0.000 6.943 6.217) 9.320 8.816 ( 0.000 0.584 -1.767) 1.861 8.816 ( 0.000 0.584 1.767) 1.861 8.876 ( 0.000 -9.748 -0.857) 9.785 8.876 ( 0.000 -9.748 0.857) 9.785 9.043 ( 0.000 -0.117 -1.586) 1.590 9.043 ( 0.000 -0.117 1.586) 1.590 9.353 ( 0.000 -7.895 -5.927) 9.872 9.353 ( 0.000 -7.895 5.927) 9.872 9.545 ( 0.000 -6.498 -0.119) 6.499 9.545 ( 0.000 -6.498 0.119) 6.499 10.587 ( 0.000 11.173 -2.859) 11.533 10.587 ( 0.000 11.173 2.859) 11.533 10.968 ( 0.000 11.714 -0.965) 11.754 10.968 ( 0.000 11.714 0.965) 11.754 11.079 ( 0.000 4.781 -0.511) 4.809 11.079 ( 0.000 4.781 0.511) 4.809 11.595 ( 0.000 -4.734 -0.789) 4.800 11.595 ( 0.000 -4.734 0.789) 4.800 11.987 ( 0.000 6.547 -1.534) 6.724 11.987 ( 0.000 6.547 1.534) 6.724 12.170 ( 0.000 3.499 -2.857) 4.517 12.170 ( 0.000 3.499 2.857) 4.517 12.631 ( 0.000 -6.299 -6.564) 9.098 12.631 ( 0.000 -6.299 6.564) 9.098 12.901 ( 0.000 -13.182 -8.008) 15.424 12.901 ( 0.000 -13.182 8.008) 15.424 13.260 ( 0.000 -1.180 -7.021) 7.120 13.260 ( 0.000 -1.180 7.021) 7.120 13.696 ( 0.000 4.076 -4.424) 6.015 13.696 ( 0.000 4.076 4.424) 6.015 14.418 ( 0.000 4.162 -3.303) 5.313 14.418 ( 0.000 4.162 3.303) 5.313 15.232 ( 0.000 -14.932 -10.708) 18.375 15.232 ( 0.000 -14.932 10.708) 18.375 19.313 ( 0.000 -2.077 -3.710) 4.252 19.313 ( 0.000 -2.077 3.710) 4.252 19.824 ( 0.000 -3.563 -4.027) 5.377 19.824 ( 0.000 -3.563 4.027) 5.377 20.390 ( 0.000 9.300 -0.298) 9.305 20.390 ( 0.000 9.300 0.298) 9.305 20.470 ( 0.000 12.114 -6.274) 13.642 20.470 ( 0.000 12.114 6.274) 13.642 21.688 ( 0.000 -1.820 -1.524) 2.374 21.688 ( 0.000 -1.820 1.524) 2.374 21.765 ( 0.000 0.935 -1.890) 2.109 21.765 ( 0.000 0.935 1.890) 2.109 22.791 ( 0.000 1.508 -0.118) 1.512 22.791 ( 0.000 1.508 0.118) 1.512 23.288 ( 0.000 -7.209 -6.218) 9.520 23.288 ( 0.000 -7.209 6.218) 9.520 ======================= Grid point 247 (83/90) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.197 ( -5.660 0.340 -4.806) 7.432 3.197 ( -5.660 0.340 4.806) 7.432 3.430 ( -3.938 -0.059 -4.298) 5.830 3.430 ( -3.938 -0.059 4.298) 5.830 3.730 ( 1.206 10.930 -13.422) 17.351 3.730 ( 1.206 10.930 13.422) 17.351 3.860 ( -0.490 16.302 -3.344) 16.649 3.860 ( -0.490 16.302 3.344) 16.649 4.519 ( 13.317 1.909 -3.444) 13.887 4.519 ( 13.317 1.909 3.444) 13.887 4.949 ( -5.491 9.411 -1.680) 11.024 4.949 ( -5.491 9.411 1.680) 11.024 5.195 ( -0.790 5.323 -3.284) 6.304 5.195 ( -0.790 5.323 3.284) 6.304 5.316 ( -0.102 4.172 -3.890) 5.706 5.316 ( -0.102 4.172 3.890) 5.706 5.630 ( 4.604 -9.864 -5.935) 12.398 5.630 ( 4.604 -9.864 5.935) 12.398 5.948 ( -3.199 -4.462 -8.036) 9.733 5.948 ( -3.199 -4.462 8.036) 9.733 6.304 ( -8.182 -9.942 -2.576) 13.131 6.304 ( -8.182 -9.942 2.576) 13.131 6.718 ( 7.135 3.253 -4.949) 9.273 6.718 ( 7.135 3.253 4.949) 9.273 7.180 ( 1.167 8.058 -5.549) 9.853 7.180 ( 1.167 8.058 5.549) 9.853 7.349 ( -3.917 -1.873 -3.098) 5.334 7.349 ( -3.917 -1.873 3.098) 5.334 7.604 ( 5.545 0.524 -5.831) 8.064 7.604 ( 5.545 0.524 5.831) 8.064 8.124 ( -1.241 2.531 -5.059) 5.792 8.124 ( -1.241 2.531 5.059) 5.792 8.344 ( -1.631 5.537 -4.843) 7.534 8.344 ( -1.631 5.537 4.843) 7.534 8.831 ( 1.544 -0.614 -1.134) 2.012 8.831 ( 1.544 -0.614 1.134) 2.012 8.934 ( 3.445 -11.764 -5.223) 13.325 8.934 ( 3.445 -11.764 5.223) 13.325 9.039 ( 0.251 -0.399 -2.169) 2.219 9.039 ( 0.251 -0.399 2.169) 2.219 9.334 ( -1.316 -8.003 -4.315) 9.187 9.334 ( -1.316 -8.003 4.315) 9.187 9.492 ( -4.133 -5.220 -1.733) 6.880 9.492 ( -4.133 -5.220 1.733) 6.880 10.621 ( 2.892 11.139 -5.041) 12.565 10.621 ( 2.892 11.139 5.041) 12.565 10.849 ( -6.161 7.146 -7.065) 11.787 10.849 ( -6.161 7.146 7.065) 11.787 11.224 ( 8.231 8.831 -3.818) 12.661 11.224 ( 8.231 8.831 3.818) 12.661 11.549 ( -3.997 -1.237 -1.493) 4.442 11.549 ( -3.997 -1.237 1.493) 4.442 11.982 ( -0.315 2.255 -1.023) 2.497 11.982 ( -0.315 2.255 1.023) 2.497 12.160 ( -0.754 3.089 -2.129) 3.827 12.160 ( -0.754 3.089 2.129) 3.827 12.673 ( 3.480 -6.642 -5.994) 9.600 12.673 ( 3.480 -6.642 5.994) 9.600 12.865 ( -3.038 -11.624 -6.132) 13.489 12.865 ( -3.038 -11.624 6.132) 13.489 13.260 ( 0.041 -1.046 -5.171) 5.276 13.260 ( 0.041 -1.046 5.171) 5.276 13.675 ( -1.432 4.459 -3.262) 5.708 13.675 ( -1.432 4.459 3.262) 5.708 14.465 ( 3.352 4.106 -3.200) 6.191 14.465 ( 3.352 4.106 3.200) 6.191 15.207 ( -1.891 -15.030 -7.985) 17.125 15.207 ( -1.891 -15.030 7.985) 17.125 19.378 ( 5.298 -2.092 -3.858) 6.880 19.378 ( 5.298 -2.092 3.858) 6.880 19.758 ( -5.400 -4.007 -4.166) 7.910 19.758 ( -5.400 -4.007 4.166) 7.910 20.393 ( 0.204 9.551 -0.344) 9.560 20.393 ( 0.204 9.551 0.344) 9.560 20.477 ( 0.486 12.245 -4.277) 12.979 20.477 ( 0.486 12.245 4.277) 12.979 21.695 ( 0.537 -1.679 -1.330) 2.208 21.695 ( 0.537 -1.679 1.330) 2.208 21.756 ( -0.712 0.677 -1.564) 1.847 21.756 ( -0.712 0.677 1.564) 1.847 22.802 ( 0.832 1.534 -0.379) 1.786 22.802 ( 0.832 1.534 0.379) 1.786 23.272 ( -1.118 -7.134 -4.499) 8.508 23.272 ( -1.118 -7.134 4.499) 8.508 ======================= Grid point 249 (84/90) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.111 ( 0.000 1.297 0.000) 1.297 3.111 ( 0.000 1.297 0.000) 1.297 3.395 ( 0.000 -2.624 0.000) 2.624 3.395 ( 0.000 -2.624 0.000) 2.624 3.753 ( -0.000 6.870 -0.000) 6.870 3.753 ( 0.000 6.870 -0.000) 6.870 3.845 ( -0.000 19.395 0.000) 19.395 3.845 ( 0.000 19.395 0.000) 19.395 4.747 ( -0.000 5.188 0.000) 5.188 4.747 ( 0.000 5.188 0.000) 5.188 4.817 ( 0.000 0.973 0.000) 0.973 4.817 ( 0.000 0.973 0.000) 0.973 5.197 ( 0.000 10.848 0.000) 10.848 5.197 ( 0.000 10.848 0.000) 10.848 5.300 ( -0.000 5.215 0.000) 5.215 5.300 ( 0.000 5.215 0.000) 5.215 5.785 ( -0.000 -11.590 0.000) 11.590 5.785 ( -0.000 -11.590 0.000) 11.590 5.823 ( 0.000 -6.749 -0.000) 6.749 5.823 ( 0.000 -6.749 0.000) 6.749 6.181 ( -0.000 -3.886 0.000) 3.886 6.181 ( 0.000 -3.886 0.000) 3.886 6.869 ( -0.000 0.855 0.000) 0.855 6.869 ( 0.000 0.855 0.000) 0.855 7.114 ( 0.000 6.541 0.000) 6.541 7.114 ( 0.000 6.541 0.000) 6.541 7.332 ( 0.000 -0.244 0.000) 0.244 7.332 ( 0.000 -0.244 0.000) 0.244 7.679 ( 0.000 3.130 0.000) 3.130 7.679 ( 0.000 3.130 0.000) 3.130 8.110 ( -0.000 5.784 -0.000) 5.784 8.110 ( 0.000 5.784 0.000) 5.784 8.316 ( 0.000 2.488 0.000) 2.488 8.316 ( 0.000 2.488 0.000) 2.488 8.860 ( 0.000 -0.681 0.000) 0.681 8.860 ( 0.000 -0.681 0.000) 0.681 8.960 ( 0.000 -9.289 0.000) 9.289 8.960 ( 0.000 -9.289 0.000) 9.289 9.068 ( 0.000 -7.639 0.000) 7.639 9.068 ( 0.000 -7.639 0.000) 7.639 9.316 ( 0.000 -7.980 0.000) 7.980 9.316 ( 0.000 -7.980 0.000) 7.980 9.423 ( 0.000 -2.507 0.000) 2.507 9.423 ( 0.000 -2.507 0.000) 2.507 10.686 ( -0.000 15.008 -0.000) 15.008 10.686 ( 0.000 15.008 0.000) 15.008 10.749 ( -0.000 1.773 0.000) 1.773 10.749 ( 0.000 1.773 0.000) 1.773 11.366 ( -0.000 11.903 0.000) 11.903 11.366 ( -0.000 11.903 0.000) 11.903 11.455 ( -0.000 -0.043 0.000) 0.043 11.455 ( 0.000 -0.043 0.000) 0.043 11.978 ( 0.000 -1.926 -0.000) 1.926 11.978 ( 0.000 -1.926 0.000) 1.926 12.148 ( -0.000 2.908 0.000) 2.908 12.148 ( 0.000 2.908 0.000) 2.908 12.751 ( -0.000 -9.659 -0.000) 9.659 12.751 ( 0.000 -9.659 -0.000) 9.659 12.794 ( -0.000 -7.479 0.000) 7.479 12.794 ( 0.000 -7.479 0.000) 7.479 13.261 ( 0.000 -0.909 0.000) 0.909 13.261 ( 0.000 -0.909 0.000) 0.909 13.655 ( 0.000 4.720 0.000) 4.720 13.655 ( 0.000 4.720 0.000) 4.720 14.513 ( 0.000 4.236 0.000) 4.236 14.513 ( 0.000 4.236 0.000) 4.236 15.178 ( 0.000 -15.247 0.000) 15.247 15.178 ( 0.000 -15.247 0.000) 15.247 19.480 ( 0.000 -1.329 0.000) 1.329 19.480 ( 0.000 -1.329 -0.000) 1.329 19.654 ( 0.000 -5.212 0.000) 5.212 19.654 ( 0.000 -5.212 0.000) 5.212 20.396 ( -0.000 9.737 0.000) 9.737 20.396 ( 0.000 9.737 0.000) 9.737 20.483 ( 0.000 12.428 0.000) 12.428 20.483 ( 0.000 12.428 0.000) 12.428 21.704 ( -0.000 -1.520 -0.000) 1.520 21.704 ( 0.000 -1.520 -0.000) 1.520 21.744 ( 0.000 0.400 0.000) 0.400 21.744 ( 0.000 0.400 0.000) 0.400 22.814 ( 0.000 1.575 0.000) 1.575 22.814 ( 0.000 1.575 0.000) 1.575 23.256 ( -0.000 -7.074 0.000) 7.074 23.256 ( 0.000 -7.074 0.000) 7.074 ======================= Grid point 255 (85/90) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.304 ( 0.000 2.062 -4.353) 4.816 3.304 ( 0.000 2.062 4.353) 4.816 3.533 ( 0.000 0.478 -1.372) 1.453 3.533 ( 0.000 0.478 1.372) 1.453 3.941 ( 0.000 11.420 -10.826) 15.736 3.941 ( 0.000 11.420 10.826) 15.736 4.145 ( 0.000 9.725 -2.535) 10.050 4.145 ( 0.000 9.725 2.535) 10.050 4.345 ( 0.000 1.445 -6.058) 6.228 4.345 ( 0.000 1.445 6.058) 6.228 5.087 ( 0.000 -5.524 -2.789) 6.188 5.087 ( 0.000 -5.524 2.789) 6.188 5.175 ( 0.000 -6.896 -3.057) 7.544 5.175 ( 0.000 -6.896 3.057) 7.544 5.377 ( 0.000 7.249 -5.854) 9.318 5.377 ( 0.000 7.249 5.854) 9.318 5.577 ( 0.000 4.455 -1.168) 4.606 5.577 ( 0.000 4.455 1.168) 4.606 5.892 ( 0.000 -6.363 -10.017) 11.867 5.892 ( 0.000 -6.363 10.017) 11.867 6.304 ( 0.000 6.131 -5.866) 8.485 6.304 ( 0.000 6.131 5.866) 8.485 6.707 ( 0.000 -0.952 -7.635) 7.694 6.707 ( 0.000 -0.952 7.635) 7.694 7.241 ( 0.000 3.694 -11.315) 11.903 7.241 ( 0.000 3.694 11.315) 11.903 7.406 ( 0.000 -2.438 -2.138) 3.242 7.406 ( 0.000 -2.438 2.138) 3.242 7.566 ( 0.000 9.671 -4.239) 10.559 7.566 ( 0.000 9.671 4.239) 10.559 8.092 ( 0.000 -3.871 -3.439) 5.178 8.092 ( 0.000 -3.871 3.439) 5.178 8.312 ( 0.000 -15.769 -3.117) 16.074 8.312 ( 0.000 -15.769 3.117) 16.074 8.786 ( 0.000 5.629 -2.185) 6.039 8.786 ( 0.000 5.629 2.185) 6.039 8.853 ( 0.000 2.482 -1.454) 2.877 8.853 ( 0.000 2.482 1.454) 2.877 9.095 ( 0.000 1.194 -1.442) 1.872 9.095 ( 0.000 1.194 1.442) 1.872 9.205 ( 0.000 -4.811 -2.231) 5.303 9.205 ( 0.000 -4.811 2.231) 5.303 9.410 ( 0.000 -7.062 -1.037) 7.138 9.410 ( 0.000 -7.062 1.037) 7.138 10.763 ( 0.000 6.528 -1.882) 6.794 10.763 ( 0.000 6.528 1.882) 6.794 11.064 ( 0.000 -0.613 -5.033) 5.070 11.064 ( 0.000 -0.613 5.033) 5.070 11.285 ( 0.000 13.215 -6.449) 14.705 11.285 ( 0.000 13.215 6.449) 14.705 11.550 ( 0.000 -0.273 -1.621) 1.644 11.550 ( 0.000 -0.273 1.621) 1.644 12.115 ( 0.000 6.123 -3.839) 7.227 12.115 ( 0.000 6.123 3.839) 7.227 12.229 ( 0.000 3.580 -0.657) 3.639 12.229 ( 0.000 3.580 0.657) 3.639 12.500 ( 0.000 -7.144 -5.176) 8.823 12.500 ( 0.000 -7.144 5.176) 8.823 12.624 ( 0.000 -14.164 -8.333) 16.434 12.624 ( 0.000 -14.164 8.333) 16.434 13.311 ( 0.000 5.815 -5.705) 8.146 13.311 ( 0.000 5.815 5.705) 8.146 13.708 ( 0.000 -2.723 -4.508) 5.267 13.708 ( 0.000 -2.723 4.508) 5.267 14.490 ( 0.000 2.920 -2.616) 3.920 14.490 ( 0.000 2.920 2.616) 3.920 14.971 ( 0.000 -10.377 -6.692) 12.348 14.971 ( 0.000 -10.377 6.692) 12.348 19.284 ( 0.000 -0.922 -1.858) 2.074 19.284 ( 0.000 -0.922 1.858) 2.074 19.769 ( 0.000 -1.984 -1.893) 2.742 19.769 ( 0.000 -1.984 1.893) 2.742 20.554 ( 0.000 6.767 -0.318) 6.774 20.554 ( 0.000 6.767 0.318) 6.774 20.665 ( 0.000 6.971 -4.335) 8.209 20.665 ( 0.000 6.971 4.335) 8.209 21.659 ( 0.000 -0.944 -0.762) 1.213 21.659 ( 0.000 -0.944 0.762) 1.213 21.779 ( 0.000 0.414 -1.461) 1.518 21.779 ( 0.000 0.414 1.461) 1.518 22.836 ( 0.000 3.051 -0.994) 3.209 22.836 ( 0.000 3.051 0.994) 3.209 23.139 ( 0.000 -7.268 -4.122) 8.356 23.139 ( 0.000 -7.268 4.122) 8.356 ======================= Grid point 257 (86/90) ======================= q-point: ( 0.25 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.219 ( -5.203 1.581 -2.812) 6.121 3.219 ( -5.203 1.581 2.812) 6.121 3.425 ( -7.206 -0.403 -1.860) 7.453 3.425 ( -7.206 -0.403 1.860) 7.453 3.924 ( -0.863 9.980 -7.778) 12.682 3.924 ( -0.863 9.980 7.778) 12.682 4.151 ( 0.163 8.996 -2.256) 9.276 4.151 ( 0.163 8.996 2.256) 9.276 4.524 ( 11.998 -0.649 -2.513) 12.275 4.524 ( 11.998 -0.649 2.513) 12.275 4.960 ( -6.266 0.245 -1.850) 6.538 4.960 ( -6.266 0.245 1.850) 6.538 5.291 ( 5.448 -6.585 -5.691) 10.268 5.291 ( 5.448 -6.585 5.691) 10.268 5.426 ( 2.638 5.984 -4.417) 7.891 5.426 ( 2.638 5.984 4.417) 7.891 5.567 ( 0.316 4.885 -5.743) 7.546 5.567 ( 0.316 4.885 5.743) 7.546 5.863 ( -2.799 -5.093 -8.724) 10.483 5.863 ( -2.799 -5.093 8.724) 10.483 6.242 ( -5.177 7.010 -6.034) 10.599 6.242 ( -5.177 7.010 6.034) 10.599 6.701 ( 1.931 -5.285 -4.705) 7.335 6.701 ( 1.931 -5.285 4.705) 7.335 7.290 ( 1.016 2.315 -3.170) 4.055 7.290 ( 1.016 2.315 3.170) 4.055 7.365 ( -1.984 1.629 -1.975) 3.239 7.365 ( -1.984 1.629 1.975) 3.239 7.663 ( 6.362 8.505 -5.306) 11.873 7.663 ( 6.362 8.505 5.306) 11.873 8.099 ( 1.552 -3.467 -3.600) 5.233 8.099 ( 1.552 -3.467 3.600) 5.233 8.350 ( 2.895 -10.896 -4.006) 11.965 8.350 ( 2.895 -10.896 4.006) 11.965 8.746 ( -3.697 0.668 -0.933) 3.871 8.746 ( -3.697 0.668 0.933) 3.871 8.857 ( 0.249 1.701 -1.677) 2.402 8.857 ( 0.249 1.701 1.677) 2.402 9.070 ( -1.977 -1.174 -0.709) 2.406 9.070 ( -1.977 -1.174 0.709) 2.406 9.197 ( -0.320 -2.721 -1.328) 3.045 9.197 ( -0.320 -2.721 1.328) 3.045 9.387 ( -1.605 -5.506 -1.272) 5.875 9.387 ( -1.605 -5.506 1.272) 5.875 10.781 ( 1.571 5.851 -3.977) 7.246 10.781 ( 1.571 5.851 3.977) 7.246 10.984 ( -4.845 3.749 -6.331) 8.809 10.984 ( -4.845 3.749 6.331) 8.809 11.368 ( 4.944 6.385 -4.089) 9.051 11.368 ( 4.944 6.385 4.089) 9.051 11.546 ( -0.370 1.072 -1.662) 2.012 11.546 ( -0.370 1.072 1.662) 2.012 12.078 ( -2.568 6.809 -2.634) 7.739 12.078 ( -2.568 6.809 2.634) 7.739 12.213 ( -1.119 3.232 -0.968) 3.555 12.213 ( -1.119 3.232 0.968) 3.555 12.530 ( 2.234 -8.080 -4.107) 9.335 12.530 ( 2.234 -8.080 4.107) 9.335 12.616 ( -0.727 -12.742 -6.496) 14.321 12.616 ( -0.727 -12.742 6.496) 14.321 13.323 ( 0.901 6.817 -4.337) 8.130 13.323 ( 0.901 6.817 4.337) 8.130 13.689 ( -1.400 -3.054 -3.385) 4.769 13.689 ( -1.400 -3.054 3.385) 4.769 14.540 ( 3.788 3.346 -2.815) 5.786 14.540 ( 3.788 3.346 2.815) 5.786 14.939 ( -2.524 -10.972 -5.447) 12.507 14.939 ( -2.524 -10.972 5.447) 12.507 19.349 ( 5.480 -0.882 -1.965) 5.888 19.349 ( 5.480 -0.882 1.965) 5.888 19.696 ( -6.026 -2.230 -2.032) 6.739 19.696 ( -6.026 -2.230 2.032) 6.739 20.567 ( 0.868 7.474 -0.871) 7.574 20.567 ( 0.868 7.474 0.871) 7.574 20.667 ( 0.147 6.369 -3.304) 7.177 20.667 ( 0.147 6.369 3.304) 7.177 21.671 ( 0.989 -0.553 -0.706) 1.335 21.671 ( 0.989 -0.553 0.706) 1.335 21.764 ( -1.258 0.016 -1.212) 1.747 21.764 ( -1.258 0.016 1.212) 1.747 22.850 ( 1.015 3.317 -0.907) 3.585 22.850 ( 1.015 3.317 0.907) 3.585 23.123 ( -1.182 -7.470 -3.092) 8.171 23.123 ( -1.182 -7.470 3.092) 8.171 ======================= Grid point 259 (87/90) ======================= q-point: (-0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.157 ( -0.000 3.345 0.000) 3.345 3.157 ( 0.000 3.345 0.000) 3.345 3.322 ( 0.000 -4.318 0.000) 4.318 3.322 ( 0.000 -4.318 0.000) 4.318 3.914 ( 0.000 9.381 0.000) 9.381 3.914 ( 0.000 9.381 0.000) 9.381 4.150 ( 0.000 7.730 -0.000) 7.730 4.150 ( 0.000 7.730 0.000) 7.730 4.731 ( -0.000 -2.089 0.000) 2.089 4.731 ( 0.000 -2.089 0.000) 2.089 4.835 ( -0.000 2.705 0.000) 2.705 4.835 ( 0.000 2.705 0.000) 2.705 5.377 ( 0.000 0.902 -0.000) 0.902 5.377 ( -0.000 0.902 0.000) 0.902 5.420 ( 0.000 2.381 0.000) 2.381 5.420 ( 0.000 2.381 0.000) 2.381 5.640 ( 0.000 -1.048 0.000) 1.048 5.640 ( -0.000 -1.048 0.000) 1.048 5.776 ( 0.000 1.508 0.000) 1.508 5.776 ( 0.000 1.508 0.000) 1.508 6.166 ( 0.000 7.044 0.000) 7.044 6.166 ( 0.000 7.044 0.000) 7.044 6.753 ( -0.000 -11.033 0.000) 11.033 6.753 ( 0.000 -11.033 0.000) 11.033 7.266 ( 0.000 6.666 0.000) 6.666 7.266 ( -0.000 6.666 0.000) 6.666 7.358 ( -0.000 0.845 0.000) 0.845 7.358 ( 0.000 0.845 0.000) 0.845 7.740 ( 0.000 6.081 0.000) 6.081 7.740 ( 0.000 6.081 0.000) 6.081 8.142 ( -0.000 -3.679 0.000) 3.679 8.142 ( 0.000 -3.679 0.000) 3.679 8.404 ( 0.000 5.016 0.000) 5.016 8.404 ( 0.000 5.016 0.000) 5.016 8.670 ( 0.000 -14.206 0.000) 14.206 8.670 ( 0.000 -14.206 0.000) 14.206 8.859 ( 0.000 1.367 -0.000) 1.367 8.859 ( 0.000 1.367 -0.000) 1.367 9.041 ( 0.000 -2.311 0.000) 2.311 9.041 ( 0.000 -2.311 0.000) 2.311 9.195 ( 0.000 -1.086 0.000) 1.086 9.195 ( 0.000 -1.086 0.000) 1.086 9.364 ( 0.000 -3.741 0.000) 3.741 9.364 ( 0.000 -3.741 0.000) 3.741 10.812 ( 0.000 4.444 0.000) 4.444 10.812 ( 0.000 4.444 0.000) 4.444 10.914 ( -0.000 6.099 0.000) 6.099 10.914 ( 0.000 6.099 0.000) 6.099 11.435 ( 0.000 0.433 0.000) 0.433 11.435 ( -0.000 0.433 0.000) 0.433 11.537 ( 0.000 4.055 0.000) 4.055 11.537 ( 0.000 4.055 0.000) 4.055 12.041 ( -0.000 7.840 0.000) 7.840 12.041 ( 0.000 7.840 0.000) 7.840 12.198 ( -0.000 2.776 -0.000) 2.776 12.198 ( 0.000 2.776 0.000) 2.776 12.570 ( -0.000 -8.726 -0.000) 8.726 12.570 ( 0.000 -8.726 0.000) 8.726 12.596 ( -0.000 -11.638 0.000) 11.638 12.596 ( 0.000 -11.638 0.000) 11.638 13.336 ( 0.000 8.037 0.000) 8.037 13.336 ( 0.000 8.037 0.000) 8.037 13.668 ( -0.000 -3.621 0.000) 3.621 13.668 ( 0.000 -3.621 0.000) 3.621 14.599 ( -0.000 4.632 0.000) 4.632 14.599 ( 0.000 4.632 0.000) 4.632 14.897 ( 0.000 -12.387 0.000) 12.387 14.897 ( 0.000 -12.387 0.000) 12.387 19.472 ( -0.000 0.583 -0.000) 0.583 19.472 ( 0.000 0.583 0.000) 0.583 19.565 ( -0.000 -3.895 0.000) 3.895 19.565 ( 0.000 -3.895 0.000) 3.895 20.579 ( -0.000 8.258 0.000) 8.258 20.579 ( 0.000 8.258 0.000) 8.258 20.669 ( 0.000 5.685 0.000) 5.685 20.669 ( 0.000 5.685 0.000) 5.685 21.690 ( -0.000 0.295 -0.000) 0.295 21.690 ( 0.000 0.295 -0.000) 0.295 21.741 ( -0.000 -0.839 0.000) 0.839 21.741 ( 0.000 -0.839 0.000) 0.839 22.865 ( 0.000 3.726 0.000) 3.726 22.865 ( 0.000 3.726 0.000) 3.726 23.106 ( -0.000 -7.816 0.000) 7.816 23.106 ( 0.000 -7.816 0.000) 7.816 ======================= Grid point 265 (88/90) ======================= 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.327 ( 0.000 0.000 0.000) 0.000 3.327 ( 0.000 0.000 0.000) 0.000 3.538 ( 0.000 0.000 0.000) 0.000 3.538 ( 0.000 0.000 0.000) 0.000 4.121 ( 0.000 0.000 0.000) 0.000 4.121 ( 0.000 -0.000 0.000) 0.000 4.171 ( 0.000 0.000 0.000) 0.000 4.171 ( 0.000 0.000 0.000) 0.000 4.381 ( 0.000 0.000 0.000) 0.000 4.381 ( 0.000 0.000 0.000) 0.000 5.054 ( 0.000 0.000 -0.000) 0.000 5.054 ( 0.000 0.000 0.000) 0.000 5.058 ( 0.000 -0.000 -0.000) 0.000 5.058 ( 0.000 -0.000 0.000) 0.000 5.429 ( 0.000 0.000 0.000) 0.000 5.429 ( 0.000 0.000 0.000) 0.000 5.648 ( 0.000 0.000 0.000) 0.000 5.648 ( 0.000 0.000 0.000) 0.000 5.805 ( 0.000 0.000 0.000) 0.000 5.805 ( 0.000 0.000 0.000) 0.000 6.438 ( 0.000 0.000 0.000) 0.000 6.438 ( 0.000 0.000 0.000) 0.000 6.666 ( 0.000 0.000 0.000) 0.000 6.666 ( 0.000 0.000 0.000) 0.000 7.267 ( 0.000 0.000 0.000) 0.000 7.267 ( 0.000 0.000 0.000) 0.000 7.387 ( 0.000 0.000 0.000) 0.000 7.387 ( 0.000 0.000 0.000) 0.000 7.776 ( 0.000 -0.000 0.000) 0.000 7.776 ( 0.000 0.000 0.000) 0.000 8.000 ( 0.000 -0.000 0.000) 0.000 8.000 ( 0.000 0.000 0.000) 0.000 8.064 ( 0.000 -0.000 0.000) 0.000 8.064 ( 0.000 -0.000 0.000) 0.000 8.852 ( 0.000 0.000 0.000) 0.000 8.852 ( 0.000 0.000 0.000) 0.000 8.958 ( 0.000 -0.000 0.000) 0.000 8.958 ( 0.000 -0.000 0.000) 0.000 9.006 ( 0.000 0.000 0.000) 0.000 9.006 ( 0.000 0.000 0.000) 0.000 9.231 ( 0.000 -0.000 0.000) 0.000 9.231 ( 0.000 0.000 0.000) 0.000 9.301 ( 0.000 0.000 0.000) 0.000 9.301 ( 0.000 0.000 0.000) 0.000 10.833 ( 0.000 0.000 0.000) 0.000 10.833 ( 0.000 0.000 0.000) 0.000 11.041 ( 0.000 0.000 0.000) 0.000 11.041 ( 0.000 0.000 0.000) 0.000 11.485 ( 0.000 0.000 0.000) 0.000 11.485 ( 0.000 0.000 0.000) 0.000 11.506 ( 0.000 -0.000 -0.000) 0.000 11.506 ( 0.000 -0.000 0.000) 0.000 12.214 ( 0.000 0.000 0.000) 0.000 12.214 ( 0.000 0.000 0.000) 0.000 12.329 ( 0.000 0.000 0.000) 0.000 12.329 ( 0.000 0.000 -0.000) 0.000 12.339 ( 0.000 0.000 0.000) 0.000 12.339 ( 0.000 -0.000 0.000) 0.000 12.452 ( 0.000 0.000 0.000) 0.000 12.452 ( 0.000 0.000 0.000) 0.000 13.405 ( 0.000 0.000 0.000) 0.000 13.405 ( 0.000 0.000 0.000) 0.000 13.648 ( 0.000 -0.000 0.000) 0.000 13.648 ( 0.000 0.000 0.000) 0.000 14.521 ( 0.000 0.000 0.000) 0.000 14.521 ( 0.000 0.000 0.000) 0.000 14.863 ( 0.000 0.000 0.000) 0.000 14.863 ( 0.000 0.000 0.000) 0.000 19.275 ( 0.000 0.000 0.000) 0.000 19.275 ( 0.000 0.000 0.000) 0.000 19.749 ( 0.000 0.000 0.000) 0.000 19.749 ( 0.000 0.000 0.000) 0.000 20.627 ( 0.000 0.000 0.000) 0.000 20.627 ( 0.000 0.000 0.000) 0.000 20.732 ( 0.000 0.000 0.000) 0.000 20.732 ( 0.000 0.000 0.000) 0.000 21.651 ( 0.000 0.000 0.000) 0.000 21.651 ( 0.000 0.000 0.000) 0.000 21.783 ( 0.000 -0.000 0.000) 0.000 21.783 ( 0.000 0.000 0.000) 0.000 22.884 ( 0.000 0.000 0.000) 0.000 22.884 ( 0.000 0.000 0.000) 0.000 23.048 ( 0.000 0.000 0.000) 0.000 23.048 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 269 (89/90) ======================= 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.239 ( -4.639 0.000 0.000) 4.639 3.239 ( -4.639 0.000 0.000) 4.639 3.419 ( -9.168 0.000 0.000) 9.168 3.419 ( -9.168 0.000 0.000) 9.168 4.098 ( -0.934 -0.000 0.000) 0.934 4.098 ( -0.934 -0.000 0.000) 0.934 4.147 ( -1.955 0.000 0.000) 1.955 4.147 ( -1.955 0.000 0.000) 1.955 4.540 ( 11.646 0.000 0.000) 11.646 4.540 ( 11.646 0.000 0.000) 11.646 4.996 ( -5.583 0.000 0.000) 5.583 4.996 ( -5.583 0.000 0.000) 5.583 5.175 ( 9.219 0.000 0.000) 9.219 5.175 ( 9.219 0.000 0.000) 9.219 5.461 ( 0.492 0.000 0.000) 0.492 5.461 ( 0.492 0.000 0.000) 0.492 5.661 ( 1.406 0.000 0.000) 1.406 5.661 ( 1.406 0.000 0.000) 1.406 5.774 ( -2.009 0.000 0.000) 2.009 5.774 ( -2.009 -0.000 0.000) 2.009 6.449 ( 0.661 0.000 -0.000) 0.661 6.449 ( 0.661 0.000 0.000) 0.661 6.556 ( -6.636 0.000 0.000) 6.636 6.556 ( -6.636 -0.000 0.000) 6.636 7.309 ( 2.071 0.000 0.000) 2.071 7.309 ( 2.071 0.000 0.000) 2.071 7.372 ( -1.190 0.000 0.000) 1.190 7.372 ( -1.190 0.000 0.000) 1.190 7.883 ( 5.828 0.000 0.000) 5.828 7.883 ( 5.828 0.000 0.000) 5.828 7.986 ( -1.168 -0.000 0.000) 1.168 7.986 ( -1.168 0.000 0.000) 1.168 8.153 ( 10.122 0.000 0.000) 10.122 8.153 ( 10.122 0.000 0.000) 10.122 8.787 ( -7.819 0.000 0.000) 7.819 8.787 ( -7.819 0.000 0.000) 7.819 8.949 ( -0.733 -0.001 0.000) 0.733 8.949 ( -0.733 -0.000 0.000) 0.733 8.950 ( -2.622 0.000 -0.000) 2.622 8.950 ( -2.622 0.001 0.000) 2.622 9.244 ( 1.061 -0.000 0.000) 1.061 9.244 ( 1.061 0.000 0.000) 1.061 9.293 ( -0.715 0.000 0.000) 0.715 9.293 ( -0.715 0.000 0.000) 0.715 10.851 ( 1.705 0.000 0.000) 1.705 10.851 ( 1.705 0.000 0.000) 1.705 10.993 ( -3.681 0.000 0.000) 3.681 10.993 ( -3.681 0.000 0.000) 3.681 11.493 ( 0.691 -0.000 0.000) 0.691 11.493 ( 0.691 0.000 0.000) 0.691 11.516 ( 0.459 -0.000 0.000) 0.459 11.516 ( 0.459 0.000 -0.000) 0.459 12.195 ( -0.666 0.000 0.000) 0.666 12.195 ( -0.666 0.000 0.000) 0.666 12.283 ( -3.701 -0.000 0.000) 3.701 12.283 ( -3.701 0.000 0.000) 3.701 12.376 ( 3.244 -0.000 0.000) 3.244 12.376 ( 3.244 0.000 0.000) 3.244 12.468 ( 0.293 0.000 0.000) 0.293 12.468 ( 0.293 0.000 0.000) 0.293 13.440 ( 3.013 0.000 0.000) 3.013 13.440 ( 3.013 0.000 0.000) 3.013 13.612 ( -3.009 -0.000 0.000) 3.009 13.612 ( -3.009 -0.000 0.000) 3.009 14.580 ( 4.859 0.000 0.000) 4.859 14.580 ( 4.859 0.000 0.000) 4.859 14.821 ( -3.715 0.000 0.000) 3.715 14.821 ( -3.715 0.000 0.000) 3.715 19.340 ( 5.601 0.000 0.000) 5.601 19.340 ( 5.601 0.000 0.000) 5.601 19.674 ( -6.283 0.000 0.000) 6.283 19.674 ( -6.283 0.000 0.000) 6.283 20.651 ( 1.878 0.000 0.000) 1.878 20.651 ( 1.878 0.000 0.000) 1.878 20.723 ( -0.818 0.000 0.000) 0.818 20.723 ( -0.818 0.000 0.000) 0.818 21.669 ( 1.514 0.000 0.000) 1.514 21.669 ( 1.514 0.000 0.000) 1.514 21.762 ( -1.764 -0.000 0.000) 1.764 21.762 ( -1.764 0.000 0.000) 1.764 22.907 ( 1.980 -0.000 0.000) 1.980 22.907 ( 1.980 0.000 0.000) 1.980 23.023 ( -2.101 0.000 0.000) 2.101 23.023 ( -2.101 0.000 0.000) 2.101 ======================= Grid point 273 (90/90) ======================= 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.235 ( -2.518 -3.793 0.000) 4.553 3.235 ( -2.518 -3.793 0.000) 4.553 3.235 ( 2.518 3.793 0.000) 4.553 3.235 ( 2.518 3.793 0.000) 4.553 4.104 ( -0.112 -8.817 0.000) 8.818 4.104 ( -0.112 -8.817 0.000) 8.818 4.104 ( 0.112 8.817 0.000) 8.818 4.104 ( 0.112 8.817 0.000) 8.818 4.806 ( -7.652 -4.064 0.000) 8.664 4.806 ( -7.652 -4.064 0.000) 8.664 4.806 ( 7.652 4.064 0.000) 8.664 4.806 ( 7.652 4.064 0.000) 8.664 5.381 ( -6.511 -0.955 0.000) 6.581 5.381 ( -6.511 -0.955 0.000) 6.581 5.381 ( 6.511 0.955 0.000) 6.581 5.381 ( 6.511 0.955 0.000) 6.581 5.718 ( -0.842 -5.795 0.000) 5.856 5.718 ( -0.842 -5.795 0.000) 5.856 5.718 ( 0.842 5.795 0.000) 5.856 5.718 ( 0.842 5.795 0.000) 5.856 6.465 ( -0.059 -17.713 0.000) 17.714 6.465 ( -0.059 -17.713 0.000) 17.714 6.465 ( 0.059 17.713 0.000) 17.714 6.465 ( 0.059 17.713 0.000) 17.714 7.343 ( -0.388 -1.917 0.000) 1.956 7.343 ( -0.388 -1.917 0.000) 1.956 7.343 ( 0.388 1.917 0.000) 1.956 7.343 ( 0.388 1.917 0.000) 1.956 7.954 ( -0.108 -13.439 0.000) 13.439 7.954 ( -0.108 -13.439 0.000) 13.439 7.954 ( 0.108 13.439 0.000) 13.439 7.954 ( 0.108 13.439 0.000) 13.439 8.491 ( -14.595 -2.382 0.000) 14.788 8.491 ( -14.595 -2.382 0.000) 14.788 8.491 ( 14.595 2.382 0.000) 14.788 8.491 ( 14.595 2.382 0.000) 14.788 8.933 ( -0.015 -5.929 0.000) 5.929 8.933 ( -0.015 -5.929 0.000) 5.929 8.933 ( 0.015 5.929 0.000) 5.929 8.933 ( 0.015 5.929 0.000) 5.929 9.271 ( -0.126 -5.545 0.000) 5.547 9.271 ( -0.126 -5.545 0.000) 5.547 9.271 ( 0.126 5.545 0.000) 5.547 9.271 ( 0.126 5.545 0.000) 5.547 10.909 ( -1.183 -4.231 0.000) 4.393 10.909 ( -1.183 -4.231 0.000) 4.393 10.909 ( 1.183 4.231 0.000) 4.393 10.909 ( 1.183 4.231 0.000) 4.393 11.512 ( -0.057 -5.166 0.000) 5.166 11.512 ( -0.057 -5.166 0.000) 5.166 11.512 ( 0.057 5.166 0.000) 5.166 11.512 ( 0.057 5.166 0.000) 5.166 12.212 ( -0.433 -5.583 0.000) 5.599 12.212 ( -0.433 -5.583 0.000) 5.599 12.212 ( 0.433 5.583 0.000) 5.599 12.212 ( 0.433 5.583 0.000) 5.599 12.444 ( -1.913 -0.540 0.000) 1.988 12.444 ( -1.913 -0.540 0.000) 1.988 12.444 ( 1.913 0.540 -0.000) 1.988 12.444 ( 1.913 0.540 0.000) 1.988 13.526 ( -0.919 -9.602 0.000) 9.646 13.526 ( -0.919 -9.602 0.000) 9.646 13.526 ( 0.919 9.602 0.000) 9.646 13.526 ( 0.919 9.602 0.000) 9.646 14.709 ( -2.304 -6.489 0.000) 6.886 14.709 ( -2.304 -6.489 0.000) 6.886 14.709 ( 2.304 6.489 0.000) 6.886 14.709 ( 2.304 6.489 0.000) 6.886 19.502 ( -7.103 -1.236 0.000) 7.210 19.502 ( -7.103 -1.236 0.000) 7.210 19.502 ( 7.103 1.236 0.000) 7.210 19.502 ( 7.103 1.236 0.000) 7.210 20.694 ( -0.508 -2.746 0.000) 2.792 20.694 ( -0.508 -2.746 0.000) 2.792 20.694 ( 0.508 2.746 0.000) 2.792 20.694 ( 0.508 2.746 0.000) 2.792 21.713 ( -1.285 -1.437 0.000) 1.928 21.713 ( -1.285 -1.437 0.000) 1.928 21.713 ( 1.285 1.437 0.000) 1.928 21.713 ( 1.285 1.437 0.000) 1.928 22.964 ( -0.642 -6.158 0.000) 6.192 22.964 ( -0.642 -6.158 0.000) 6.192 22.964 ( 0.642 6.158 0.000) 6.192 22.964 ( 0.642 6.158 0.000) 6.192 =================== 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 3/26880 10.0 797.669 2122.523 906.282 0.000 0.000 -0.000 3/26880 20.0 840.293 1051.845 962.496 0.000 0.000 0.000 3/26880 30.0 394.229 496.056 518.809 0.000 0.000 0.000 3/26880 40.0 194.827 264.490 282.663 0.000 0.000 0.000 3/26880 50.0 108.044 154.525 166.736 0.000 0.000 0.000 3/26880 60.0 67.040 98.931 107.481 0.000 0.000 0.000 3/26880 70.0 45.561 68.527 74.776 0.000 0.000 0.000 3/26880 80.0 33.207 50.558 55.287 0.000 0.000 0.000 3/26880 90.0 25.532 39.195 42.885 0.000 0.000 0.000 3/26880 100.0 20.457 31.593 34.549 0.000 0.000 0.000 3/26880 110.0 16.927 26.262 28.687 0.000 0.000 0.000 3/26880 120.0 14.368 22.375 24.405 0.000 0.000 0.000 3/26880 130.0 12.448 19.447 21.175 0.000 0.000 0.000 3/26880 140.0 10.966 17.179 18.673 0.000 0.000 0.000 3/26880 150.0 9.793 15.381 16.689 0.000 0.000 0.000 3/26880 160.0 8.845 13.924 15.083 0.000 0.000 0.000 3/26880 170.0 8.066 12.725 13.760 0.000 0.000 0.000 3/26880 180.0 7.415 11.721 12.654 0.000 0.000 0.000 3/26880 190.0 6.863 10.870 11.718 0.000 0.000 0.000 3/26880 200.0 6.390 10.140 10.915 0.000 0.000 0.000 3/26880 210.0 5.981 9.507 10.219 0.000 0.000 0.000 3/26880 220.0 5.623 8.952 9.610 0.000 0.000 0.000 3/26880 230.0 5.307 8.463 9.074 0.000 0.000 0.000 3/26880 240.0 5.026 8.028 8.597 0.000 0.000 0.000 3/26880 250.0 4.775 7.638 8.171 0.000 0.000 0.000 3/26880 260.0 4.549 7.287 7.788 0.000 0.000 0.000 3/26880 270.0 4.345 6.969 7.441 0.000 0.000 0.000 3/26880 280.0 4.159 6.680 7.125 0.000 0.000 0.000 3/26880 290.0 3.989 6.415 6.837 0.000 0.000 0.000 3/26880 300.0 3.833 6.172 6.572 0.000 0.000 0.000 3/26880 310.0 3.690 5.948 6.329 0.000 0.000 0.000 3/26880 320.0 3.557 5.741 6.103 0.000 0.000 0.000 3/26880 330.0 3.434 5.548 5.895 0.000 0.000 0.000 3/26880 340.0 3.320 5.369 5.701 0.000 0.000 0.000 3/26880 350.0 3.213 5.201 5.519 0.000 0.000 0.000 3/26880 360.0 3.114 5.045 5.350 0.000 0.000 0.000 3/26880 370.0 3.020 4.898 5.191 0.000 0.000 0.000 3/26880 380.0 2.933 4.760 5.042 0.000 0.000 0.000 3/26880 390.0 2.850 4.629 4.902 0.000 0.000 0.000 3/26880 400.0 2.772 4.506 4.769 0.000 0.000 0.000 3/26880 410.0 2.699 4.390 4.644 0.000 0.000 0.000 3/26880 420.0 2.629 4.280 4.526 0.000 0.000 0.000 3/26880 430.0 2.563 4.175 4.413 0.000 0.000 0.000 3/26880 440.0 2.501 4.076 4.307 0.000 0.000 0.000 3/26880 450.0 2.441 3.981 4.205 0.000 0.000 0.000 3/26880 460.0 2.385 3.891 4.109 0.000 0.000 0.000 3/26880 470.0 2.331 3.805 4.016 0.000 0.000 0.000 3/26880 480.0 2.279 3.723 3.929 0.000 0.000 0.000 3/26880 490.0 2.230 3.644 3.844 0.000 0.000 0.000 3/26880 500.0 2.183 3.569 3.764 0.000 0.000 0.000 3/26880 510.0 2.138 3.497 3.687 0.000 0.000 0.000 3/26880 520.0 2.095 3.428 3.613 0.000 0.000 0.000 3/26880 530.0 2.053 3.362 3.542 0.000 0.000 0.000 3/26880 540.0 2.013 3.298 3.474 0.000 0.000 0.000 3/26880 550.0 1.975 3.236 3.409 0.000 0.000 0.000 3/26880 560.0 1.938 3.177 3.346 0.000 0.000 0.000 3/26880 570.0 1.903 3.120 3.285 0.000 0.000 0.000 3/26880 580.0 1.869 3.065 3.227 0.000 0.000 0.000 3/26880 590.0 1.836 3.012 3.171 0.000 0.000 0.000 3/26880 600.0 1.804 2.961 3.116 0.000 0.000 0.000 3/26880 610.0 1.774 2.912 3.064 0.000 0.000 0.000 3/26880 620.0 1.744 2.864 3.013 0.000 0.000 0.000 3/26880 630.0 1.715 2.818 2.964 0.000 0.000 0.000 3/26880 640.0 1.688 2.773 2.917 0.000 0.000 0.000 3/26880 650.0 1.661 2.730 2.871 0.000 0.000 0.000 3/26880 660.0 1.635 2.688 2.826 0.000 0.000 0.000 3/26880 670.0 1.610 2.648 2.783 0.000 0.000 0.000 3/26880 680.0 1.586 2.608 2.741 0.000 0.000 0.000 3/26880 690.0 1.562 2.570 2.701 0.000 0.000 0.000 3/26880 700.0 1.539 2.533 2.662 0.000 0.000 0.000 3/26880 710.0 1.517 2.497 2.623 0.000 0.000 0.000 3/26880 720.0 1.496 2.462 2.586 0.000 0.000 0.000 3/26880 730.0 1.475 2.428 2.550 0.000 0.000 0.000 3/26880 740.0 1.454 2.395 2.515 0.000 0.000 0.000 3/26880 750.0 1.434 2.363 2.481 0.000 0.000 0.000 3/26880 760.0 1.415 2.331 2.448 0.000 0.000 0.000 3/26880 770.0 1.396 2.301 2.416 0.000 0.000 0.000 3/26880 780.0 1.378 2.271 2.385 0.000 0.000 0.000 3/26880 790.0 1.360 2.242 2.354 0.000 0.000 0.000 3/26880 800.0 1.343 2.214 2.324 0.000 0.000 0.000 3/26880 810.0 1.326 2.187 2.295 0.000 0.000 0.000 3/26880 820.0 1.310 2.160 2.267 0.000 0.000 0.000 3/26880 830.0 1.294 2.134 2.239 0.000 0.000 0.000 3/26880 840.0 1.278 2.108 2.212 0.000 0.000 0.000 3/26880 850.0 1.263 2.083 2.186 0.000 0.000 0.000 3/26880 860.0 1.248 2.059 2.160 0.000 0.000 0.000 3/26880 870.0 1.233 2.035 2.135 0.000 0.000 0.000 3/26880 880.0 1.219 2.012 2.111 0.000 0.000 0.000 3/26880 890.0 1.205 1.989 2.087 0.000 0.000 0.000 3/26880 900.0 1.192 1.967 2.063 0.000 0.000 0.000 3/26880 910.0 1.178 1.945 2.040 0.000 0.000 0.000 3/26880 920.0 1.165 1.924 2.018 0.000 0.000 0.000 3/26880 930.0 1.153 1.903 1.996 0.000 0.000 0.000 3/26880 940.0 1.140 1.883 1.975 0.000 0.000 0.000 3/26880 950.0 1.128 1.863 1.954 0.000 0.000 0.000 3/26880 960.0 1.116 1.844 1.933 0.000 0.000 0.000 3/26880 970.0 1.105 1.825 1.913 0.000 0.000 0.000 3/26880 980.0 1.093 1.806 1.894 0.000 0.000 0.000 3/26880 990.0 1.082 1.788 1.874 0.000 0.000 0.000 3/26880 1000.0 1.071 1.770 1.855 0.000 0.000 0.000 3/26880 Thermal conductivity related properties were written into "kappa-m4810.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:15:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|