----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:21:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.596821230000000 -4.626484030000000 0.000000000000000 b 3.596821230000000 4.626484030000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.858552650000000 Atomic positions (fractional): *1 Th 0.70788888593563 0.29211111406437 0.92840624519213 232.038 2 Th 0.29211111406437 0.70788888593563 0.07159375480787 232.038 3 Th 0.79211111406437 0.20788888593563 0.42840624519213 232.038 4 Th 0.20788888593563 0.79211111406437 0.57159375480787 232.038 *5 P 0.61017967250058 0.38982032749942 0.64080066720593 30.974 6 P 0.88982032749942 0.11017967250058 0.14080066720593 30.974 7 P 0.38982032749942 0.61017967250058 0.35919933279407 30.974 8 P 0.11017967250058 0.88982032749942 0.85919933279407 30.974 *9 O 0.94688388013461 0.05311611986539 0.87643332144835 15.999 *10 O 0.35092888345108 0.98535629649883 0.91636842151850 15.999 *11 O 0.85366244521587 0.14633755478413 0.25645854565669 15.999 12 O 0.85092888345108 0.48535629649883 0.58363157848150 15.999 13 O 0.01464370350117 0.64907111654892 0.91636842151850 15.999 14 O 0.55311611986539 0.44688388013461 0.37643332144835 15.999 15 O 0.48535629649883 0.85092888345108 0.41636842151850 15.999 16 O 0.35366244521587 0.64633755478413 0.24354145434331 15.999 17 O 0.05311611986539 0.94688388013461 0.12356667855165 15.999 18 O 0.98535629649883 0.35092888345108 0.08363157848150 15.999 19 O 0.64633755478413 0.35366244521587 0.75645854565669 15.999 20 O 0.14907111654892 0.51464370350117 0.41636842151850 15.999 21 O 0.44688388013461 0.55311611986539 0.62356667855165 15.999 *22 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 23 O 0.14633755478413 0.85366244521587 0.74354145434331 15.999 24 O 0.51464370350117 0.14907111654892 0.58363157848150 15.999 25 O 0.64907111654892 0.01464370350117 0.08363157848150 15.999 26 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.193642460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.252968060000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.858552650000000 Atomic positions (fractional): *1 Th 0.50000000000000 0.79211111406437 0.92840624519213 232.038 > 1 2 Th 0.50000000000000 0.20788888593563 0.07159375480787 232.038 > 2 3 Th 0.50000000000000 0.70788888593563 0.42840624519213 232.038 > 3 4 Th 0.50000000000000 0.29211111406437 0.57159375480787 232.038 > 4 5 Th 0.00000000000000 0.29211111406437 0.92840624519213 232.038 > 1 6 Th 0.00000000000000 0.70788888593563 0.07159375480787 232.038 > 2 7 Th 0.00000000000000 0.20788888593563 0.42840624519213 232.038 > 3 8 Th 0.00000000000000 0.79211111406437 0.57159375480787 232.038 > 4 *9 P 0.50000000000000 0.88982032749942 0.64080066720593 30.974 > 5 10 P 0.50000000000000 0.61017967250058 0.14080066720593 30.974 > 6 11 P 0.50000000000000 0.11017967250058 0.35919933279407 30.974 > 7 12 P 0.50000000000000 0.38982032749942 0.85919933279407 30.974 > 8 13 P 0.00000000000000 0.38982032749942 0.64080066720593 30.974 > 5 14 P 0.00000000000000 0.11017967250058 0.14080066720593 30.974 > 6 15 P 0.00000000000000 0.61017967250058 0.35919933279407 30.974 > 7 16 P 0.00000000000000 0.88982032749942 0.85919933279407 30.974 > 8 *17 O 0.50000000000000 0.55311611986539 0.87643332144835 15.999 > 9 *18 O 0.66814258997496 0.31721370652387 0.91636842151850 15.999 > 10 *19 O 0.50000000000000 0.64633755478413 0.25645854565669 15.999 > 11 20 O 0.66814258997496 0.81721370652387 0.58363157848150 15.999 > 12 21 O 0.33185741002504 0.31721370652387 0.91636842151850 15.999 > 13 22 O 0.50000000000000 0.94688388013461 0.37643332144835 15.999 > 14 23 O 0.66814258997496 0.18278629347613 0.41636842151850 15.999 > 15 24 O 0.50000000000000 0.14633755478413 0.24354145434331 15.999 > 16 25 O 0.50000000000000 0.44688388013461 0.12356667855165 15.999 > 17 26 O 0.66814258997496 0.68278629347613 0.08363157848150 15.999 > 18 27 O 0.50000000000000 0.85366244521587 0.75645854565669 15.999 > 19 28 O 0.33185741002504 0.18278629347613 0.41636842151850 15.999 > 20 29 O 0.50000000000000 0.05311611986539 0.62356667855165 15.999 > 21 *30 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 22 31 O 0.50000000000000 0.35366244521587 0.74354145434331 15.999 > 23 32 O 0.33185741002504 0.81721370652387 0.58363157848150 15.999 > 24 33 O 0.33185741002504 0.68278629347613 0.08363157848150 15.999 > 25 34 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 26 35 O 0.00000000000000 0.05311611986539 0.87643332144835 15.999 > 9 36 O 0.16814258997496 0.81721370652387 0.91636842151850 15.999 > 10 37 O 0.00000000000000 0.14633755478413 0.25645854565669 15.999 > 11 38 O 0.16814258997496 0.31721370652387 0.58363157848150 15.999 > 12 39 O 0.83185741002504 0.81721370652387 0.91636842151850 15.999 > 13 40 O 0.00000000000000 0.44688388013461 0.37643332144835 15.999 > 14 41 O 0.16814258997496 0.68278629347613 0.41636842151850 15.999 > 15 42 O 0.00000000000000 0.64633755478413 0.24354145434331 15.999 > 16 43 O 0.00000000000000 0.94688388013461 0.12356667855165 15.999 > 17 44 O 0.16814258997496 0.18278629347613 0.08363157848150 15.999 > 18 45 O 0.00000000000000 0.35366244521587 0.75645854565669 15.999 > 19 46 O 0.83185741002504 0.68278629347613 0.41636842151850 15.999 > 20 47 O 0.00000000000000 0.55311611986539 0.62356667855165 15.999 > 21 48 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 22 49 O 0.00000000000000 0.85366244521587 0.74354145434331 15.999 > 23 50 O 0.83185741002504 0.31721370652387 0.58363157848150 15.999 > 24 51 O 0.83185741002504 0.18278629347613 0.08363157848150 15.999 > 25 52 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 26 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.387284920000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.252968060000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.858552650000000 Atomic positions (fractional): *1 Th 0.25000000000000 0.79211111406437 0.92840624519213 232.038 > 1 2 Th 0.75000000000000 0.79211111406437 0.92840624519213 232.038 > 1 3 Th 0.25000000000000 0.20788888593563 0.07159375480787 232.038 > 2 4 Th 0.75000000000000 0.20788888593563 0.07159375480787 232.038 > 2 5 Th 0.25000000000000 0.70788888593563 0.42840624519213 232.038 > 3 6 Th 0.75000000000000 0.70788888593563 0.42840624519213 232.038 > 3 7 Th 0.25000000000000 0.29211111406437 0.57159375480787 232.038 > 4 8 Th 0.75000000000000 0.29211111406437 0.57159375480787 232.038 > 4 9 Th 0.00000000000000 0.29211111406437 0.92840624519213 232.038 > 1 10 Th 0.50000000000000 0.29211111406437 0.92840624519213 232.038 > 1 11 Th 0.00000000000000 0.70788888593563 0.07159375480787 232.038 > 2 12 Th 0.50000000000000 0.70788888593563 0.07159375480787 232.038 > 2 13 Th 0.00000000000000 0.20788888593563 0.42840624519213 232.038 > 3 14 Th 0.50000000000000 0.20788888593563 0.42840624519213 232.038 > 3 15 Th 0.00000000000000 0.79211111406437 0.57159375480787 232.038 > 4 16 Th 0.50000000000000 0.79211111406437 0.57159375480787 232.038 > 4 *17 P 0.25000000000000 0.88982032749942 0.64080066720593 30.974 > 5 18 P 0.75000000000000 0.88982032749942 0.64080066720593 30.974 > 5 19 P 0.25000000000000 0.61017967250058 0.14080066720593 30.974 > 6 20 P 0.75000000000000 0.61017967250058 0.14080066720593 30.974 > 6 21 P 0.25000000000000 0.11017967250058 0.35919933279407 30.974 > 7 22 P 0.75000000000000 0.11017967250058 0.35919933279407 30.974 > 7 23 P 0.25000000000000 0.38982032749942 0.85919933279407 30.974 > 8 24 P 0.75000000000000 0.38982032749942 0.85919933279407 30.974 > 8 25 P 0.00000000000000 0.38982032749942 0.64080066720593 30.974 > 5 26 P 0.50000000000000 0.38982032749942 0.64080066720593 30.974 > 5 27 P 0.00000000000000 0.11017967250058 0.14080066720593 30.974 > 6 28 P 0.50000000000000 0.11017967250058 0.14080066720593 30.974 > 6 29 P 0.00000000000000 0.61017967250058 0.35919933279407 30.974 > 7 30 P 0.50000000000000 0.61017967250058 0.35919933279407 30.974 > 7 31 P 0.00000000000000 0.88982032749942 0.85919933279407 30.974 > 8 32 P 0.50000000000000 0.88982032749942 0.85919933279407 30.974 > 8 *33 O 0.25000000000000 0.55311611986539 0.87643332144835 15.999 > 9 34 O 0.75000000000000 0.55311611986539 0.87643332144835 15.999 > 9 *35 O 0.33407129498748 0.31721370652387 0.91636842151850 15.999 > 10 36 O 0.83407129498748 0.31721370652387 0.91636842151850 15.999 > 10 *37 O 0.25000000000000 0.64633755478413 0.25645854565669 15.999 > 11 38 O 0.75000000000000 0.64633755478413 0.25645854565669 15.999 > 11 39 O 0.33407129498748 0.81721370652387 0.58363157848150 15.999 > 12 40 O 0.83407129498748 0.81721370652387 0.58363157848150 15.999 > 12 41 O 0.16592870501252 0.31721370652387 0.91636842151850 15.999 > 13 42 O 0.66592870501252 0.31721370652387 0.91636842151850 15.999 > 13 43 O 0.25000000000000 0.94688388013461 0.37643332144835 15.999 > 14 44 O 0.75000000000000 0.94688388013461 0.37643332144835 15.999 > 14 45 O 0.33407129498748 0.18278629347613 0.41636842151850 15.999 > 15 46 O 0.83407129498748 0.18278629347613 0.41636842151850 15.999 > 15 47 O 0.25000000000000 0.14633755478413 0.24354145434331 15.999 > 16 48 O 0.75000000000000 0.14633755478413 0.24354145434331 15.999 > 16 49 O 0.25000000000000 0.44688388013461 0.12356667855165 15.999 > 17 50 O 0.75000000000000 0.44688388013461 0.12356667855165 15.999 > 17 51 O 0.33407129498748 0.68278629347613 0.08363157848150 15.999 > 18 52 O 0.83407129498748 0.68278629347613 0.08363157848150 15.999 > 18 53 O 0.25000000000000 0.85366244521587 0.75645854565669 15.999 > 19 54 O 0.75000000000000 0.85366244521587 0.75645854565669 15.999 > 19 55 O 0.16592870501252 0.18278629347613 0.41636842151850 15.999 > 20 56 O 0.66592870501252 0.18278629347613 0.41636842151850 15.999 > 20 57 O 0.25000000000000 0.05311611986539 0.62356667855165 15.999 > 21 58 O 0.75000000000000 0.05311611986539 0.62356667855165 15.999 > 21 *59 O 0.25000000000000 0.00000000000000 0.00000000000000 15.999 > 22 60 O 0.75000000000000 0.00000000000000 0.00000000000000 15.999 > 22 61 O 0.25000000000000 0.35366244521587 0.74354145434331 15.999 > 23 62 O 0.75000000000000 0.35366244521587 0.74354145434331 15.999 > 23 63 O 0.16592870501252 0.81721370652387 0.58363157848150 15.999 > 24 64 O 0.66592870501252 0.81721370652387 0.58363157848150 15.999 > 24 65 O 0.16592870501252 0.68278629347613 0.08363157848150 15.999 > 25 66 O 0.66592870501252 0.68278629347613 0.08363157848150 15.999 > 25 67 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 26 68 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 26 69 O 0.00000000000000 0.05311611986539 0.87643332144835 15.999 > 9 70 O 0.50000000000000 0.05311611986539 0.87643332144835 15.999 > 9 71 O 0.08407129498748 0.81721370652387 0.91636842151850 15.999 > 10 72 O 0.58407129498748 0.81721370652387 0.91636842151850 15.999 > 10 73 O 0.00000000000000 0.14633755478413 0.25645854565669 15.999 > 11 74 O 0.50000000000000 0.14633755478413 0.25645854565669 15.999 > 11 75 O 0.08407129498748 0.31721370652387 0.58363157848150 15.999 > 12 76 O 0.58407129498748 0.31721370652387 0.58363157848150 15.999 > 12 77 O 0.41592870501252 0.81721370652387 0.91636842151850 15.999 > 13 78 O 0.91592870501252 0.81721370652387 0.91636842151850 15.999 > 13 79 O 0.00000000000000 0.44688388013461 0.37643332144835 15.999 > 14 80 O 0.50000000000000 0.44688388013461 0.37643332144835 15.999 > 14 81 O 0.08407129498748 0.68278629347613 0.41636842151850 15.999 > 15 82 O 0.58407129498748 0.68278629347613 0.41636842151850 15.999 > 15 83 O 0.00000000000000 0.64633755478413 0.24354145434331 15.999 > 16 84 O 0.50000000000000 0.64633755478413 0.24354145434331 15.999 > 16 85 O 0.00000000000000 0.94688388013461 0.12356667855165 15.999 > 17 86 O 0.50000000000000 0.94688388013461 0.12356667855165 15.999 > 17 87 O 0.08407129498748 0.18278629347613 0.08363157848150 15.999 > 18 88 O 0.58407129498748 0.18278629347613 0.08363157848150 15.999 > 18 89 O 0.00000000000000 0.35366244521587 0.75645854565669 15.999 > 19 90 O 0.50000000000000 0.35366244521587 0.75645854565669 15.999 > 19 91 O 0.41592870501252 0.68278629347613 0.41636842151850 15.999 > 20 92 O 0.91592870501252 0.68278629347613 0.41636842151850 15.999 > 20 93 O 0.00000000000000 0.55311611986539 0.62356667855165 15.999 > 21 94 O 0.50000000000000 0.55311611986539 0.62356667855165 15.999 > 21 95 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 22 96 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 22 97 O 0.00000000000000 0.85366244521587 0.74354145434331 15.999 > 23 98 O 0.50000000000000 0.85366244521587 0.74354145434331 15.999 > 23 99 O 0.41592870501252 0.31721370652387 0.58363157848150 15.999 > 24 100 O 0.91592870501252 0.31721370652387 0.58363157848150 15.999 > 24 101 O 0.41592870501252 0.18278629347613 0.08363157848150 15.999 > 25 102 O 0.91592870501252 0.18278629347613 0.08363157848150 15.999 > 25 103 O 0.25000000000000 0.50000000000000 0.50000000000000 15.999 > 26 104 O 0.75000000000000 0.50000000000000 0.50000000000000 15.999 > 26 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9234087 0.0000000 0.0000000 0.0000000 3.2367997 0.0000000 0.0000000 0.0000000 3.1106373 -------------------------- Born effective charges -------------------------- 1 Th 5.0725609 0.0000000 0.0000000 0.0000000 6.0825533 0.2524606 0.0000000 0.2587283 5.2503393 2 Th 5.0725609 0.0000000 0.0000000 0.0000000 6.0825533 0.2524606 0.0000000 0.2587283 5.2503393 3 Th 5.0725609 0.0000000 0.0000000 0.0000000 6.0825533 -0.2524606 0.0000000 -0.2587283 5.2503393 4 Th 5.0725609 0.0000000 0.0000000 0.0000000 6.0825533 -0.2524606 0.0000000 -0.2587283 5.2503393 5 P 3.4618770 0.0000000 0.0000000 0.0000000 4.2010263 0.0177464 0.0000000 -0.1192250 4.5849973 6 P 3.4618770 0.0000000 0.0000000 0.0000000 4.2010263 -0.0177464 0.0000000 0.1192250 4.5849973 7 P 3.4618770 0.0000000 0.0000000 0.0000000 4.2010263 0.0177464 0.0000000 -0.1192250 4.5849973 8 P 3.4618770 0.0000000 0.0000000 0.0000000 4.2010263 -0.0177464 0.0000000 0.1192250 4.5849973 9 O -0.9403071 0.0000000 0.0000000 0.0000000 -3.8522210 -0.6365675 0.0000000 -0.6030753 -1.2937934 10 O -3.0520376 0.3950630 -0.2423538 0.3592079 -1.4369088 0.6086777 -0.2942566 0.5043887 -1.7983375 11 O -0.9876022 0.0000000 0.0000000 0.0000000 -1.1920920 -0.6679966 0.0000000 -0.7430019 -4.1069284 12 O -3.0520376 0.3950630 0.2423538 0.3592079 -1.4369088 -0.6086777 0.2942566 -0.5043887 -1.7983375 13 O -3.0520376 -0.3950630 0.2423538 -0.3592079 -1.4369088 0.6086777 0.2942566 0.5043887 -1.7983375 14 O -0.9403071 0.0000000 0.0000000 0.0000000 -3.8522210 0.6365675 0.0000000 0.6030753 -1.2937934 15 O -3.0520376 -0.3950630 -0.2423538 -0.3592079 -1.4369088 -0.6086777 -0.2942566 -0.5043887 -1.7983375 16 O -0.9876022 0.0000000 0.0000000 0.0000000 -1.1920920 0.6679966 0.0000000 0.7430019 -4.1069284 17 O -0.9403071 0.0000000 0.0000000 0.0000000 -3.8522210 -0.6365675 0.0000000 -0.6030753 -1.2937934 18 O -3.0520376 -0.3950630 0.2423538 -0.3592079 -1.4369088 0.6086777 0.2942566 0.5043887 -1.7983375 19 O -0.9876022 0.0000000 0.0000000 0.0000000 -1.1920920 0.6679966 0.0000000 0.7430019 -4.1069284 20 O -3.0520376 0.3950630 0.2423538 0.3592079 -1.4369088 -0.6086777 0.2942566 -0.5043887 -1.7983375 21 O -0.9403071 0.0000000 0.0000000 0.0000000 -3.8522210 0.6365675 0.0000000 0.6030753 -1.2937934 22 O -1.0049067 0.0000000 0.0000000 0.0000000 -4.7308978 -1.7864630 0.0000000 -1.8147001 -1.6758796 23 O -0.9876022 0.0000000 0.0000000 0.0000000 -1.1920920 -0.6679966 0.0000000 -0.7430019 -4.1069284 24 O -3.0520376 -0.3950630 -0.2423538 -0.3592079 -1.4369088 -0.6086777 -0.2942566 -0.5043887 -1.7983375 25 O -3.0520376 0.3950630 -0.2423538 0.3592079 -1.4369088 0.6086777 -0.2942566 0.5043887 -1.7983375 26 O -1.0049067 0.0000000 0.0000000 0.0000000 -4.7308978 1.7864630 0.0000000 1.8147001 -1.6758796 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 15450/15450 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1684 Number of blocks in projector: 1684 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: 422 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 250 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 250 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 250 Use standard eigh solver. Tree of FC basis block matrices: - (1684, 1650), data: False |-- (250, 244), data: True |-- (250, 244), data: True |-- (250, 244), data: True |-- (256, 254), data: True |-- (256, 254), data: True |-- (422, 410), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 400 - Time: 2.301 Solver_block: 200 / 400 - Time: 2.317 Solver_block: 300 / 400 - Time: 2.314 Solver_block: 400 / 400 - Time: 2.313 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.288 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 312/312 Permutation basis: 15450/15450 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1684 Number of blocks in projector: 1684 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: 422 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 250 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 250 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 250 Use standard eigh solver. Tree of FC basis block matrices: - (1684, 1650), data: False |-- (250, 244), data: True |-- (250, 244), data: True |-- (250, 244), data: True |-- (256, 254), data: True |-- (256, 254), data: True |-- (422, 410), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) 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 12:22:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:22:15]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.596821230000000 -4.626484030000000 0.000000000000000 b 3.596821230000000 4.626484030000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.858552650000000 Atomic positions (fractional): 1 Th 0.70788888593563 0.29211111406437 0.92840624519213 232.038 2 Th 0.29211111406437 0.70788888593563 0.07159375480787 232.038 3 Th 0.79211111406437 0.20788888593563 0.42840624519213 232.038 4 Th 0.20788888593563 0.79211111406437 0.57159375480787 232.038 5 P 0.61017967250058 0.38982032749942 0.64080066720593 30.974 6 P 0.88982032749942 0.11017967250058 0.14080066720593 30.974 7 P 0.38982032749942 0.61017967250058 0.35919933279407 30.974 8 P 0.11017967250058 0.88982032749942 0.85919933279407 30.974 9 O 0.94688388013461 0.05311611986539 0.87643332144835 15.999 10 O 0.35092888345108 0.98535629649883 0.91636842151850 15.999 11 O 0.85366244521587 0.14633755478413 0.25645854565669 15.999 12 O 0.85092888345108 0.48535629649883 0.58363157848150 15.999 13 O 0.01464370350117 0.64907111654892 0.91636842151850 15.999 14 O 0.55311611986539 0.44688388013461 0.37643332144835 15.999 15 O 0.48535629649883 0.85092888345108 0.41636842151850 15.999 16 O 0.35366244521587 0.64633755478413 0.24354145434331 15.999 17 O 0.05311611986539 0.94688388013461 0.12356667855165 15.999 18 O 0.98535629649883 0.35092888345108 0.08363157848150 15.999 19 O 0.64633755478413 0.35366244521587 0.75645854565669 15.999 20 O 0.14907111654892 0.51464370350117 0.41636842151850 15.999 21 O 0.44688388013461 0.55311611986539 0.62356667855165 15.999 22 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 23 O 0.14633755478413 0.85366244521587 0.74354145434331 15.999 24 O 0.51464370350117 0.14907111654892 0.58363157848150 15.999 25 O 0.64907111654892 0.01464370350117 0.08363157848150 15.999 26 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.387284920000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.252968060000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.858552650000000 Atomic positions (fractional): 1 Th 0.25000000000000 0.79211111406437 0.92840624519213 232.038 > 1 2 Th 0.75000000000000 0.79211111406437 0.92840624519213 232.038 > 1 3 Th 0.25000000000000 0.20788888593563 0.07159375480787 232.038 > 3 4 Th 0.75000000000000 0.20788888593563 0.07159375480787 232.038 > 3 5 Th 0.25000000000000 0.70788888593563 0.42840624519213 232.038 > 5 6 Th 0.75000000000000 0.70788888593563 0.42840624519213 232.038 > 5 7 Th 0.25000000000000 0.29211111406437 0.57159375480787 232.038 > 7 8 Th 0.75000000000000 0.29211111406437 0.57159375480787 232.038 > 7 9 Th 0.00000000000000 0.29211111406437 0.92840624519213 232.038 > 1 10 Th 0.50000000000000 0.29211111406437 0.92840624519213 232.038 > 1 11 Th 0.00000000000000 0.70788888593563 0.07159375480787 232.038 > 3 12 Th 0.50000000000000 0.70788888593563 0.07159375480787 232.038 > 3 13 Th 0.00000000000000 0.20788888593563 0.42840624519213 232.038 > 5 14 Th 0.50000000000000 0.20788888593563 0.42840624519213 232.038 > 5 15 Th 0.00000000000000 0.79211111406437 0.57159375480787 232.038 > 7 16 Th 0.50000000000000 0.79211111406437 0.57159375480787 232.038 > 7 17 P 0.25000000000000 0.88982032749942 0.64080066720593 30.974 > 17 18 P 0.75000000000000 0.88982032749942 0.64080066720593 30.974 > 17 19 P 0.25000000000000 0.61017967250058 0.14080066720593 30.974 > 19 20 P 0.75000000000000 0.61017967250058 0.14080066720593 30.974 > 19 21 P 0.25000000000000 0.11017967250058 0.35919933279407 30.974 > 21 22 P 0.75000000000000 0.11017967250058 0.35919933279407 30.974 > 21 23 P 0.25000000000000 0.38982032749942 0.85919933279407 30.974 > 23 24 P 0.75000000000000 0.38982032749942 0.85919933279407 30.974 > 23 25 P 0.00000000000000 0.38982032749942 0.64080066720593 30.974 > 17 26 P 0.50000000000000 0.38982032749942 0.64080066720593 30.974 > 17 27 P 0.00000000000000 0.11017967250058 0.14080066720593 30.974 > 19 28 P 0.50000000000000 0.11017967250058 0.14080066720593 30.974 > 19 29 P 0.00000000000000 0.61017967250058 0.35919933279407 30.974 > 21 30 P 0.50000000000000 0.61017967250058 0.35919933279407 30.974 > 21 31 P 0.00000000000000 0.88982032749942 0.85919933279407 30.974 > 23 32 P 0.50000000000000 0.88982032749942 0.85919933279407 30.974 > 23 33 O 0.25000000000000 0.55311611986539 0.87643332144835 15.999 > 33 34 O 0.75000000000000 0.55311611986539 0.87643332144835 15.999 > 33 35 O 0.33407129498748 0.31721370652387 0.91636842151850 15.999 > 35 36 O 0.83407129498748 0.31721370652387 0.91636842151850 15.999 > 35 37 O 0.25000000000000 0.64633755478413 0.25645854565669 15.999 > 37 38 O 0.75000000000000 0.64633755478413 0.25645854565669 15.999 > 37 39 O 0.33407129498748 0.81721370652387 0.58363157848150 15.999 > 39 40 O 0.83407129498748 0.81721370652387 0.58363157848150 15.999 > 39 41 O 0.16592870501252 0.31721370652387 0.91636842151850 15.999 > 41 42 O 0.66592870501252 0.31721370652387 0.91636842151850 15.999 > 41 43 O 0.25000000000000 0.94688388013461 0.37643332144835 15.999 > 43 44 O 0.75000000000000 0.94688388013461 0.37643332144835 15.999 > 43 45 O 0.33407129498748 0.18278629347613 0.41636842151850 15.999 > 45 46 O 0.83407129498748 0.18278629347613 0.41636842151850 15.999 > 45 47 O 0.25000000000000 0.14633755478413 0.24354145434331 15.999 > 47 48 O 0.75000000000000 0.14633755478413 0.24354145434331 15.999 > 47 49 O 0.25000000000000 0.44688388013461 0.12356667855165 15.999 > 49 50 O 0.75000000000000 0.44688388013461 0.12356667855165 15.999 > 49 51 O 0.33407129498748 0.68278629347613 0.08363157848150 15.999 > 51 52 O 0.83407129498748 0.68278629347613 0.08363157848150 15.999 > 51 53 O 0.25000000000000 0.85366244521587 0.75645854565669 15.999 > 53 54 O 0.75000000000000 0.85366244521587 0.75645854565669 15.999 > 53 55 O 0.16592870501252 0.18278629347613 0.41636842151850 15.999 > 55 56 O 0.66592870501252 0.18278629347613 0.41636842151850 15.999 > 55 57 O 0.25000000000000 0.05311611986539 0.62356667855165 15.999 > 57 58 O 0.75000000000000 0.05311611986539 0.62356667855165 15.999 > 57 59 O 0.25000000000000 0.00000000000000 0.00000000000000 15.999 > 59 60 O 0.75000000000000 0.00000000000000 0.00000000000000 15.999 > 59 61 O 0.25000000000000 0.35366244521587 0.74354145434331 15.999 > 61 62 O 0.75000000000000 0.35366244521587 0.74354145434331 15.999 > 61 63 O 0.16592870501252 0.81721370652387 0.58363157848150 15.999 > 63 64 O 0.66592870501252 0.81721370652387 0.58363157848150 15.999 > 63 65 O 0.16592870501252 0.68278629347613 0.08363157848150 15.999 > 65 66 O 0.66592870501252 0.68278629347613 0.08363157848150 15.999 > 65 67 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 67 68 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 67 69 O 0.00000000000000 0.05311611986539 0.87643332144835 15.999 > 33 70 O 0.50000000000000 0.05311611986539 0.87643332144835 15.999 > 33 71 O 0.08407129498748 0.81721370652387 0.91636842151850 15.999 > 35 72 O 0.58407129498748 0.81721370652387 0.91636842151850 15.999 > 35 73 O 0.00000000000000 0.14633755478413 0.25645854565669 15.999 > 37 74 O 0.50000000000000 0.14633755478413 0.25645854565669 15.999 > 37 75 O 0.08407129498748 0.31721370652387 0.58363157848150 15.999 > 39 76 O 0.58407129498748 0.31721370652387 0.58363157848150 15.999 > 39 77 O 0.41592870501252 0.81721370652387 0.91636842151850 15.999 > 41 78 O 0.91592870501252 0.81721370652387 0.91636842151850 15.999 > 41 79 O 0.00000000000000 0.44688388013461 0.37643332144835 15.999 > 43 80 O 0.50000000000000 0.44688388013461 0.37643332144835 15.999 > 43 81 O 0.08407129498748 0.68278629347613 0.41636842151850 15.999 > 45 82 O 0.58407129498748 0.68278629347613 0.41636842151850 15.999 > 45 83 O 0.00000000000000 0.64633755478413 0.24354145434331 15.999 > 47 84 O 0.50000000000000 0.64633755478413 0.24354145434331 15.999 > 47 85 O 0.00000000000000 0.94688388013461 0.12356667855165 15.999 > 49 86 O 0.50000000000000 0.94688388013461 0.12356667855165 15.999 > 49 87 O 0.08407129498748 0.18278629347613 0.08363157848150 15.999 > 51 88 O 0.58407129498748 0.18278629347613 0.08363157848150 15.999 > 51 89 O 0.00000000000000 0.35366244521587 0.75645854565669 15.999 > 53 90 O 0.50000000000000 0.35366244521587 0.75645854565669 15.999 > 53 91 O 0.41592870501252 0.68278629347613 0.41636842151850 15.999 > 55 92 O 0.91592870501252 0.68278629347613 0.41636842151850 15.999 > 55 93 O 0.00000000000000 0.55311611986539 0.62356667855165 15.999 > 57 94 O 0.50000000000000 0.55311611986539 0.62356667855165 15.999 > 57 95 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 59 96 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 59 97 O 0.00000000000000 0.85366244521587 0.74354145434331 15.999 > 61 98 O 0.50000000000000 0.85366244521587 0.74354145434331 15.999 > 61 99 O 0.41592870501252 0.31721370652387 0.58363157848150 15.999 > 63 100 O 0.91592870501252 0.31721370652387 0.58363157848150 15.999 > 63 101 O 0.41592870501252 0.18278629347613 0.08363157848150 15.999 > 65 102 O 0.91592870501252 0.18278629347613 0.08363157848150 15.999 > 65 103 O 0.25000000000000 0.50000000000000 0.50000000000000 15.999 > 67 104 O 0.75000000000000 0.50000000000000 0.50000000000000 15.999 > 67 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9234087 0.0000000 0.0000000 0.0000000 3.2367997 0.0000000 0.0000000 0.0000000 3.1106373 -------------------------- Born effective charges -------------------------- 1 Th 5.0725609 0.0000000 0.0000000 0.0000000 6.0825533 0.2524606 0.0000000 0.2587283 5.2503393 2 Th 5.0725609 0.0000000 0.0000000 0.0000000 6.0825533 0.2524606 0.0000000 0.2587283 5.2503393 3 Th 5.0725609 0.0000000 0.0000000 0.0000000 6.0825533 -0.2524606 0.0000000 -0.2587283 5.2503393 4 Th 5.0725609 0.0000000 0.0000000 0.0000000 6.0825533 -0.2524606 0.0000000 -0.2587283 5.2503393 5 P 3.4618770 0.0000000 0.0000000 0.0000000 4.2010263 0.0177464 0.0000000 -0.1192250 4.5849973 6 P 3.4618770 0.0000000 0.0000000 0.0000000 4.2010263 -0.0177464 0.0000000 0.1192250 4.5849973 7 P 3.4618770 0.0000000 0.0000000 0.0000000 4.2010263 0.0177464 0.0000000 -0.1192250 4.5849973 8 P 3.4618770 0.0000000 0.0000000 0.0000000 4.2010263 -0.0177464 0.0000000 0.1192250 4.5849973 9 O -0.9403071 0.0000000 0.0000000 0.0000000 -3.8522210 -0.6365675 0.0000000 -0.6030753 -1.2937934 10 O -3.0520376 0.3950630 -0.2423538 0.3592079 -1.4369088 0.6086777 -0.2942566 0.5043887 -1.7983375 11 O -0.9876022 0.0000000 0.0000000 0.0000000 -1.1920920 -0.6679966 0.0000000 -0.7430019 -4.1069284 12 O -3.0520376 0.3950630 0.2423538 0.3592079 -1.4369088 -0.6086777 0.2942566 -0.5043887 -1.7983375 13 O -3.0520376 -0.3950630 0.2423538 -0.3592079 -1.4369088 0.6086777 0.2942566 0.5043887 -1.7983375 14 O -0.9403071 0.0000000 0.0000000 0.0000000 -3.8522210 0.6365675 0.0000000 0.6030753 -1.2937934 15 O -3.0520376 -0.3950630 -0.2423538 -0.3592079 -1.4369088 -0.6086777 -0.2942566 -0.5043887 -1.7983375 16 O -0.9876022 0.0000000 0.0000000 0.0000000 -1.1920920 0.6679966 0.0000000 0.7430019 -4.1069284 17 O -0.9403071 0.0000000 0.0000000 0.0000000 -3.8522210 -0.6365675 0.0000000 -0.6030753 -1.2937934 18 O -3.0520376 -0.3950630 0.2423538 -0.3592079 -1.4369088 0.6086777 0.2942566 0.5043887 -1.7983375 19 O -0.9876022 0.0000000 0.0000000 0.0000000 -1.1920920 0.6679966 0.0000000 0.7430019 -4.1069284 20 O -3.0520376 0.3950630 0.2423538 0.3592079 -1.4369088 -0.6086777 0.2942566 -0.5043887 -1.7983375 21 O -0.9403071 0.0000000 0.0000000 0.0000000 -3.8522210 0.6365675 0.0000000 0.6030753 -1.2937934 22 O -1.0049067 0.0000000 0.0000000 0.0000000 -4.7308978 -1.7864630 0.0000000 -1.8147001 -1.6758796 23 O -0.9876022 0.0000000 0.0000000 0.0000000 -1.1920920 -0.6679966 0.0000000 -0.7430019 -4.1069284 24 O -3.0520376 -0.3950630 -0.2423538 -0.3592079 -1.4369088 -0.6086777 -0.2942566 -0.5043887 -1.7983375 25 O -3.0520376 0.3950630 -0.2423538 0.3592079 -1.4369088 0.6086777 -0.2942566 0.5043887 -1.7983375 26 O -1.0049067 0.0000000 0.0000000 0.0000000 -4.7308978 1.7864630 0.0000000 1.8147001 -1.6758796 ---------------------------------------------------------------------------- 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[ 35, 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[ 37, 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[ 59, 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: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:22:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:22:35]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.596821230000000 -4.626484030000000 0.000000000000000 b 3.596821230000000 4.626484030000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.858552650000000 Atomic positions (fractional): 1 Th 0.70788888593563 0.29211111406437 0.92840624519213 232.038 2 Th 0.29211111406437 0.70788888593563 0.07159375480787 232.038 3 Th 0.79211111406437 0.20788888593563 0.42840624519213 232.038 4 Th 0.20788888593563 0.79211111406437 0.57159375480787 232.038 5 P 0.61017967250058 0.38982032749942 0.64080066720593 30.974 6 P 0.88982032749942 0.11017967250058 0.14080066720593 30.974 7 P 0.38982032749942 0.61017967250058 0.35919933279407 30.974 8 P 0.11017967250058 0.88982032749942 0.85919933279407 30.974 9 O 0.94688388013461 0.05311611986539 0.87643332144835 15.999 10 O 0.35092888345108 0.98535629649883 0.91636842151850 15.999 11 O 0.85366244521587 0.14633755478413 0.25645854565669 15.999 12 O 0.85092888345108 0.48535629649883 0.58363157848150 15.999 13 O 0.01464370350117 0.64907111654892 0.91636842151850 15.999 14 O 0.55311611986539 0.44688388013461 0.37643332144835 15.999 15 O 0.48535629649883 0.85092888345108 0.41636842151850 15.999 16 O 0.35366244521587 0.64633755478413 0.24354145434331 15.999 17 O 0.05311611986539 0.94688388013461 0.12356667855165 15.999 18 O 0.98535629649883 0.35092888345108 0.08363157848150 15.999 19 O 0.64633755478413 0.35366244521587 0.75645854565669 15.999 20 O 0.14907111654892 0.51464370350117 0.41636842151850 15.999 21 O 0.44688388013461 0.55311611986539 0.62356667855165 15.999 22 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 23 O 0.14633755478413 0.85366244521587 0.74354145434331 15.999 24 O 0.51464370350117 0.14907111654892 0.58363157848150 15.999 25 O 0.64907111654892 0.01464370350117 0.08363157848150 15.999 26 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.387284920000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.252968060000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.858552650000000 Atomic positions (fractional): 1 Th 0.25000000000000 0.79211111406437 0.92840624519213 232.038 > 1 2 Th 0.75000000000000 0.79211111406437 0.92840624519213 232.038 > 1 3 Th 0.25000000000000 0.20788888593563 0.07159375480787 232.038 > 3 4 Th 0.75000000000000 0.20788888593563 0.07159375480787 232.038 > 3 5 Th 0.25000000000000 0.70788888593563 0.42840624519213 232.038 > 5 6 Th 0.75000000000000 0.70788888593563 0.42840624519213 232.038 > 5 7 Th 0.25000000000000 0.29211111406437 0.57159375480787 232.038 > 7 8 Th 0.75000000000000 0.29211111406437 0.57159375480787 232.038 > 7 9 Th 0.00000000000000 0.29211111406437 0.92840624519213 232.038 > 1 10 Th 0.50000000000000 0.29211111406437 0.92840624519213 232.038 > 1 11 Th 0.00000000000000 0.70788888593563 0.07159375480787 232.038 > 3 12 Th 0.50000000000000 0.70788888593563 0.07159375480787 232.038 > 3 13 Th 0.00000000000000 0.20788888593563 0.42840624519213 232.038 > 5 14 Th 0.50000000000000 0.20788888593563 0.42840624519213 232.038 > 5 15 Th 0.00000000000000 0.79211111406437 0.57159375480787 232.038 > 7 16 Th 0.50000000000000 0.79211111406437 0.57159375480787 232.038 > 7 17 P 0.25000000000000 0.88982032749942 0.64080066720593 30.974 > 17 18 P 0.75000000000000 0.88982032749942 0.64080066720593 30.974 > 17 19 P 0.25000000000000 0.61017967250058 0.14080066720593 30.974 > 19 20 P 0.75000000000000 0.61017967250058 0.14080066720593 30.974 > 19 21 P 0.25000000000000 0.11017967250058 0.35919933279407 30.974 > 21 22 P 0.75000000000000 0.11017967250058 0.35919933279407 30.974 > 21 23 P 0.25000000000000 0.38982032749942 0.85919933279407 30.974 > 23 24 P 0.75000000000000 0.38982032749942 0.85919933279407 30.974 > 23 25 P 0.00000000000000 0.38982032749942 0.64080066720593 30.974 > 17 26 P 0.50000000000000 0.38982032749942 0.64080066720593 30.974 > 17 27 P 0.00000000000000 0.11017967250058 0.14080066720593 30.974 > 19 28 P 0.50000000000000 0.11017967250058 0.14080066720593 30.974 > 19 29 P 0.00000000000000 0.61017967250058 0.35919933279407 30.974 > 21 30 P 0.50000000000000 0.61017967250058 0.35919933279407 30.974 > 21 31 P 0.00000000000000 0.88982032749942 0.85919933279407 30.974 > 23 32 P 0.50000000000000 0.88982032749942 0.85919933279407 30.974 > 23 33 O 0.25000000000000 0.55311611986539 0.87643332144835 15.999 > 33 34 O 0.75000000000000 0.55311611986539 0.87643332144835 15.999 > 33 35 O 0.33407129498748 0.31721370652387 0.91636842151850 15.999 > 35 36 O 0.83407129498748 0.31721370652387 0.91636842151850 15.999 > 35 37 O 0.25000000000000 0.64633755478413 0.25645854565669 15.999 > 37 38 O 0.75000000000000 0.64633755478413 0.25645854565669 15.999 > 37 39 O 0.33407129498748 0.81721370652387 0.58363157848150 15.999 > 39 40 O 0.83407129498748 0.81721370652387 0.58363157848150 15.999 > 39 41 O 0.16592870501252 0.31721370652387 0.91636842151850 15.999 > 41 42 O 0.66592870501252 0.31721370652387 0.91636842151850 15.999 > 41 43 O 0.25000000000000 0.94688388013461 0.37643332144835 15.999 > 43 44 O 0.75000000000000 0.94688388013461 0.37643332144835 15.999 > 43 45 O 0.33407129498748 0.18278629347613 0.41636842151850 15.999 > 45 46 O 0.83407129498748 0.18278629347613 0.41636842151850 15.999 > 45 47 O 0.25000000000000 0.14633755478413 0.24354145434331 15.999 > 47 48 O 0.75000000000000 0.14633755478413 0.24354145434331 15.999 > 47 49 O 0.25000000000000 0.44688388013461 0.12356667855165 15.999 > 49 50 O 0.75000000000000 0.44688388013461 0.12356667855165 15.999 > 49 51 O 0.33407129498748 0.68278629347613 0.08363157848150 15.999 > 51 52 O 0.83407129498748 0.68278629347613 0.08363157848150 15.999 > 51 53 O 0.25000000000000 0.85366244521587 0.75645854565669 15.999 > 53 54 O 0.75000000000000 0.85366244521587 0.75645854565669 15.999 > 53 55 O 0.16592870501252 0.18278629347613 0.41636842151850 15.999 > 55 56 O 0.66592870501252 0.18278629347613 0.41636842151850 15.999 > 55 57 O 0.25000000000000 0.05311611986539 0.62356667855165 15.999 > 57 58 O 0.75000000000000 0.05311611986539 0.62356667855165 15.999 > 57 59 O 0.25000000000000 0.00000000000000 0.00000000000000 15.999 > 59 60 O 0.75000000000000 0.00000000000000 0.00000000000000 15.999 > 59 61 O 0.25000000000000 0.35366244521587 0.74354145434331 15.999 > 61 62 O 0.75000000000000 0.35366244521587 0.74354145434331 15.999 > 61 63 O 0.16592870501252 0.81721370652387 0.58363157848150 15.999 > 63 64 O 0.66592870501252 0.81721370652387 0.58363157848150 15.999 > 63 65 O 0.16592870501252 0.68278629347613 0.08363157848150 15.999 > 65 66 O 0.66592870501252 0.68278629347613 0.08363157848150 15.999 > 65 67 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 67 68 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 67 69 O 0.00000000000000 0.05311611986539 0.87643332144835 15.999 > 33 70 O 0.50000000000000 0.05311611986539 0.87643332144835 15.999 > 33 71 O 0.08407129498748 0.81721370652387 0.91636842151850 15.999 > 35 72 O 0.58407129498748 0.81721370652387 0.91636842151850 15.999 > 35 73 O 0.00000000000000 0.14633755478413 0.25645854565669 15.999 > 37 74 O 0.50000000000000 0.14633755478413 0.25645854565669 15.999 > 37 75 O 0.08407129498748 0.31721370652387 0.58363157848150 15.999 > 39 76 O 0.58407129498748 0.31721370652387 0.58363157848150 15.999 > 39 77 O 0.41592870501252 0.81721370652387 0.91636842151850 15.999 > 41 78 O 0.91592870501252 0.81721370652387 0.91636842151850 15.999 > 41 79 O 0.00000000000000 0.44688388013461 0.37643332144835 15.999 > 43 80 O 0.50000000000000 0.44688388013461 0.37643332144835 15.999 > 43 81 O 0.08407129498748 0.68278629347613 0.41636842151850 15.999 > 45 82 O 0.58407129498748 0.68278629347613 0.41636842151850 15.999 > 45 83 O 0.00000000000000 0.64633755478413 0.24354145434331 15.999 > 47 84 O 0.50000000000000 0.64633755478413 0.24354145434331 15.999 > 47 85 O 0.00000000000000 0.94688388013461 0.12356667855165 15.999 > 49 86 O 0.50000000000000 0.94688388013461 0.12356667855165 15.999 > 49 87 O 0.08407129498748 0.18278629347613 0.08363157848150 15.999 > 51 88 O 0.58407129498748 0.18278629347613 0.08363157848150 15.999 > 51 89 O 0.00000000000000 0.35366244521587 0.75645854565669 15.999 > 53 90 O 0.50000000000000 0.35366244521587 0.75645854565669 15.999 > 53 91 O 0.41592870501252 0.68278629347613 0.41636842151850 15.999 > 55 92 O 0.91592870501252 0.68278629347613 0.41636842151850 15.999 > 55 93 O 0.00000000000000 0.55311611986539 0.62356667855165 15.999 > 57 94 O 0.50000000000000 0.55311611986539 0.62356667855165 15.999 > 57 95 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 59 96 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 59 97 O 0.00000000000000 0.85366244521587 0.74354145434331 15.999 > 61 98 O 0.50000000000000 0.85366244521587 0.74354145434331 15.999 > 61 99 O 0.41592870501252 0.31721370652387 0.58363157848150 15.999 > 63 100 O 0.91592870501252 0.31721370652387 0.58363157848150 15.999 > 63 101 O 0.41592870501252 0.18278629347613 0.08363157848150 15.999 > 65 102 O 0.91592870501252 0.18278629347613 0.08363157848150 15.999 > 65 103 O 0.25000000000000 0.50000000000000 0.50000000000000 15.999 > 67 104 O 0.75000000000000 0.50000000000000 0.50000000000000 15.999 > 67 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9234087 0.0000000 0.0000000 0.0000000 3.2367997 0.0000000 0.0000000 0.0000000 3.1106373 -------------------------- Born effective charges -------------------------- 1 Th 5.0725609 0.0000000 0.0000000 0.0000000 6.0825533 0.2524606 0.0000000 0.2587283 5.2503393 2 Th 5.0725609 0.0000000 0.0000000 0.0000000 6.0825533 0.2524606 0.0000000 0.2587283 5.2503393 3 Th 5.0725609 0.0000000 0.0000000 0.0000000 6.0825533 -0.2524606 0.0000000 -0.2587283 5.2503393 4 Th 5.0725609 0.0000000 0.0000000 0.0000000 6.0825533 -0.2524606 0.0000000 -0.2587283 5.2503393 5 P 3.4618770 0.0000000 0.0000000 0.0000000 4.2010263 0.0177464 0.0000000 -0.1192250 4.5849973 6 P 3.4618770 0.0000000 0.0000000 0.0000000 4.2010263 -0.0177464 0.0000000 0.1192250 4.5849973 7 P 3.4618770 0.0000000 0.0000000 0.0000000 4.2010263 0.0177464 0.0000000 -0.1192250 4.5849973 8 P 3.4618770 0.0000000 0.0000000 0.0000000 4.2010263 -0.0177464 0.0000000 0.1192250 4.5849973 9 O -0.9403071 0.0000000 0.0000000 0.0000000 -3.8522210 -0.6365675 0.0000000 -0.6030753 -1.2937934 10 O -3.0520376 0.3950630 -0.2423538 0.3592079 -1.4369088 0.6086777 -0.2942566 0.5043887 -1.7983375 11 O -0.9876022 0.0000000 0.0000000 0.0000000 -1.1920920 -0.6679966 0.0000000 -0.7430019 -4.1069284 12 O -3.0520376 0.3950630 0.2423538 0.3592079 -1.4369088 -0.6086777 0.2942566 -0.5043887 -1.7983375 13 O -3.0520376 -0.3950630 0.2423538 -0.3592079 -1.4369088 0.6086777 0.2942566 0.5043887 -1.7983375 14 O -0.9403071 0.0000000 0.0000000 0.0000000 -3.8522210 0.6365675 0.0000000 0.6030753 -1.2937934 15 O -3.0520376 -0.3950630 -0.2423538 -0.3592079 -1.4369088 -0.6086777 -0.2942566 -0.5043887 -1.7983375 16 O -0.9876022 0.0000000 0.0000000 0.0000000 -1.1920920 0.6679966 0.0000000 0.7430019 -4.1069284 17 O -0.9403071 0.0000000 0.0000000 0.0000000 -3.8522210 -0.6365675 0.0000000 -0.6030753 -1.2937934 18 O -3.0520376 -0.3950630 0.2423538 -0.3592079 -1.4369088 0.6086777 0.2942566 0.5043887 -1.7983375 19 O -0.9876022 0.0000000 0.0000000 0.0000000 -1.1920920 0.6679966 0.0000000 0.7430019 -4.1069284 20 O -3.0520376 0.3950630 0.2423538 0.3592079 -1.4369088 -0.6086777 0.2942566 -0.5043887 -1.7983375 21 O -0.9403071 0.0000000 0.0000000 0.0000000 -3.8522210 0.6365675 0.0000000 0.6030753 -1.2937934 22 O -1.0049067 0.0000000 0.0000000 0.0000000 -4.7308978 -1.7864630 0.0000000 -1.8147001 -1.6758796 23 O -0.9876022 0.0000000 0.0000000 0.0000000 -1.1920920 -0.6679966 0.0000000 -0.7430019 -4.1069284 24 O -3.0520376 -0.3950630 -0.2423538 -0.3592079 -1.4369088 -0.6086777 -0.2942566 -0.5043887 -1.7983375 25 O -3.0520376 0.3950630 -0.2423538 0.3592079 -1.4369088 0.6086777 -0.2942566 0.5043887 -1.7983375 26 O -1.0049067 0.0000000 0.0000000 0.0000000 -4.7308978 1.7864630 0.0000000 1.8147001 -1.6758796 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 ... [ 9 9 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.55, Number of G-points: 301, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.020 ( 0.000 0.000 0.000) 0.000 1.369 ( 0.000 0.000 0.000) 0.000 2.054 ( 0.000 0.000 0.000) 0.000 2.226 ( 0.000 0.000 0.000) 0.000 2.757 ( 0.000 0.000 0.000) 0.000 2.832 ( 0.000 0.000 0.000) 0.000 2.871 ( 0.000 0.000 0.000) 0.000 3.390 ( 0.000 0.000 0.000) 0.000 3.431 ( 0.000 0.000 0.000) 0.000 3.807 ( 0.000 0.000 0.000) 0.000 3.905 ( 0.000 0.000 0.000) 0.000 3.922 ( 0.000 0.000 0.000) 0.000 3.969 ( 0.000 0.000 0.000) 0.000 4.147 ( 0.000 0.000 0.000) 0.000 4.244 ( 0.000 0.000 0.000) 0.000 4.542 ( 0.000 0.000 0.000) 0.000 4.557 ( 0.000 0.000 0.000) 0.000 4.591 ( 0.000 0.000 0.000) 0.000 4.639 ( 0.000 0.000 0.000) 0.000 4.661 ( 0.000 0.000 0.000) 0.000 4.928 ( 0.000 0.000 0.000) 0.000 5.215 ( 0.000 0.000 0.000) 0.000 5.306 ( 0.000 0.000 0.000) 0.000 5.309 ( 0.000 0.000 0.000) 0.000 5.578 ( 0.000 0.000 0.000) 0.000 5.952 ( 0.000 0.000 0.000) 0.000 6.081 ( 0.000 0.000 0.000) 0.000 6.133 ( 0.000 0.000 0.000) 0.000 6.193 ( 0.000 0.000 0.000) 0.000 6.724 ( 0.000 0.000 0.000) 0.000 6.917 ( 0.000 0.000 0.000) 0.000 7.078 ( 0.000 0.000 0.000) 0.000 7.622 ( 0.000 0.000 0.000) 0.000 7.672 ( 0.000 0.000 0.000) 0.000 7.703 ( 0.000 0.000 0.000) 0.000 7.954 ( 0.000 0.000 0.000) 0.000 8.273 ( 0.000 0.000 0.000) 0.000 10.122 ( 0.000 0.000 0.000) 0.000 10.550 ( 0.000 0.000 0.000) 0.000 10.699 ( 0.000 0.000 0.000) 0.000 11.081 ( 0.000 0.000 0.000) 0.000 12.135 ( 0.000 0.000 0.000) 0.000 12.270 ( 0.000 0.000 0.000) 0.000 12.349 ( 0.000 0.000 0.000) 0.000 12.351 ( 0.000 0.000 0.000) 0.000 15.334 ( 0.000 0.000 0.000) 0.000 15.480 ( 0.000 0.000 0.000) 0.000 15.807 ( 0.000 0.000 0.000) 0.000 15.857 ( 0.000 0.000 0.000) 0.000 15.981 ( 0.000 0.000 0.000) 0.000 16.084 ( 0.000 0.000 0.000) 0.000 16.319 ( 0.000 0.000 0.000) 0.000 16.343 ( 0.000 0.000 0.000) 0.000 17.277 ( 0.000 0.000 0.000) 0.000 17.283 ( 0.000 0.000 0.000) 0.000 17.652 ( 0.000 0.000 0.000) 0.000 18.062 ( 0.000 0.000 0.000) 0.000 19.663 ( 0.000 0.000 0.000) 0.000 20.874 ( 0.000 0.000 0.000) 0.000 26.829 ( 0.000 0.000 0.000) 0.000 26.889 ( 0.000 0.000 0.000) 0.000 27.708 ( 0.000 0.000 0.000) 0.000 27.770 ( 0.000 0.000 0.000) 0.000 28.285 ( 0.000 0.000 0.000) 0.000 28.579 ( 0.000 0.000 0.000) 0.000 28.804 ( 0.000 0.000 0.000) 0.000 28.989 ( 0.000 0.000 0.000) 0.000 30.333 ( 0.000 0.000 0.000) 0.000 30.363 ( 0.000 0.000 0.000) 0.000 30.431 ( 0.000 0.000 0.000) 0.000 30.626 ( 0.000 0.000 0.000) 0.000 31.116 ( 0.000 0.000 0.000) 0.000 31.293 ( 0.000 0.000 0.000) 0.000 32.428 ( 0.000 0.000 0.000) 0.000 35.701 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.359 ( 20.741 -4.939 0.000) 21.321 0.693 ( 8.002 -45.573 0.000) 46.270 1.025 ( 59.835 -5.784 0.000) 60.114 1.373 ( 27.970 -2.700 0.000) 28.100 1.447 ( 11.306 -6.814 0.000) 13.201 2.168 ( 9.062 -5.910 0.000) 10.819 2.298 ( 6.389 -3.436 0.000) 7.254 2.791 ( -2.982 0.443 0.000) 3.015 2.821 ( 4.080 -1.552 0.000) 4.365 2.978 ( 11.034 -2.496 0.000) 11.313 3.359 ( -0.863 9.263 0.000) 9.303 3.414 ( -3.379 -7.499 0.000) 8.225 3.811 ( -2.026 2.379 0.000) 3.125 3.836 ( 1.648 -2.441 0.000) 2.946 3.997 ( 2.479 -1.289 0.000) 2.794 4.039 ( 9.957 4.798 0.000) 11.053 4.064 ( -2.748 8.836 0.000) 9.253 4.262 ( 1.564 -1.697 0.000) 2.308 4.507 ( -2.338 1.579 0.000) 2.821 4.527 ( -2.481 -1.294 0.000) 2.798 4.654 ( 0.310 -8.600 0.000) 8.605 4.750 ( 2.810 -8.036 0.000) 8.514 4.852 ( -5.445 -0.548 0.000) 5.472 5.044 ( 14.812 22.076 0.000) 26.584 5.225 ( -7.415 1.424 0.000) 7.550 5.345 ( 12.351 1.152 0.000) 12.405 5.473 ( 17.006 15.267 0.000) 22.853 5.559 ( 0.868 4.928 0.000) 5.004 5.910 ( 1.551 7.312 0.000) 7.475 6.103 ( 0.874 -2.352 0.000) 2.509 6.125 ( -0.889 9.065 0.000) 9.109 6.730 ( -0.041 -0.809 0.000) 0.810 6.786 ( -31.310 -41.670 0.000) 52.122 6.862 ( -2.069 4.110 0.000) 4.601 7.150 ( -1.514 -9.405 0.000) 9.526 7.564 ( -5.256 0.932 0.000) 5.338 7.727 ( 2.902 0.070 0.000) 2.903 7.977 ( 3.495 1.366 0.000) 3.752 8.337 ( 12.718 7.779 0.000) 14.908 9.016 ( 36.892 56.760 0.000) 67.695 10.138 ( 1.953 -0.021 0.000) 1.953 10.532 ( -1.549 1.022 0.000) 1.856 10.714 ( 1.953 4.294 0.000) 4.718 11.052 ( -2.786 1.255 0.000) 3.055 12.157 ( 1.434 -1.748 0.000) 2.261 12.352 ( 1.131 0.773 0.000) 1.370 12.394 ( 0.146 -6.096 0.000) 6.098 12.459 ( -10.950 -14.622 0.000) 18.268 15.427 ( 4.652 7.860 0.000) 9.134 15.532 ( 6.820 3.682 0.000) 7.750 15.799 ( -1.365 0.488 0.000) 1.450 15.840 ( -1.612 -0.470 0.000) 1.679 15.985 ( -0.261 -0.651 0.000) 0.701 16.057 ( 0.412 4.554 0.000) 4.573 16.283 ( 1.882 7.273 0.000) 7.512 16.339 ( -2.629 -2.603 0.000) 3.699 17.275 ( 2.189 3.604 0.000) 4.216 17.685 ( 2.121 -2.592 0.000) 3.349 17.701 ( -27.737 -25.942 0.000) 37.978 18.128 ( -1.112 -8.899 0.000) 8.968 19.701 ( -3.981 -10.950 0.000) 11.651 21.086 ( -53.215 -36.774 0.000) 64.685 26.961 ( 8.839 -0.048 0.000) 8.840 27.747 ( 9.402 7.185 0.000) 11.833 27.811 ( 4.726 -0.616 0.000) 4.766 28.065 ( 60.320 69.997 0.000) 92.402 28.292 ( -0.778 -2.128 0.000) 2.266 28.809 ( -0.262 -0.866 0.000) 0.905 28.912 ( 7.498 19.252 0.000) 20.661 29.009 ( 5.293 10.022 0.000) 11.334 30.338 ( 1.137 0.528 0.000) 1.253 30.356 ( 1.088 1.757 0.000) 2.067 30.481 ( 2.509 -4.127 0.000) 4.830 31.077 ( 0.663 4.299 0.000) 4.350 31.459 ( 5.951 -17.621 0.000) 18.599 32.435 ( 3.632 3.556 0.000) 5.083 32.746 ( -92.539 -119.577 0.000) 151.202 35.487 ( -18.674 10.000 0.000) 21.183 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 22.244 -9.402 0.000) 24.149 1.312 ( 6.330 -37.510 0.000) 38.041 1.559 ( 4.265 -6.762 0.000) 7.995 1.951 ( 50.096 -4.803 0.000) 50.325 2.027 ( 33.507 -5.665 0.000) 33.983 2.436 ( 12.597 -7.595 0.000) 14.709 2.495 ( 12.009 -4.924 0.000) 12.980 2.717 ( -5.769 -3.878 0.000) 6.951 2.867 ( 0.837 6.375 0.000) 6.430 3.223 ( 13.021 -4.618 0.000) 13.816 3.288 ( 5.920 3.150 0.000) 6.706 3.444 ( -5.587 -8.483 0.000) 10.157 3.797 ( 5.136 4.328 0.000) 6.716 3.872 ( -4.502 9.395 0.000) 10.418 3.912 ( 1.594 -1.696 0.000) 2.327 4.037 ( 2.326 1.651 0.000) 2.852 4.146 ( 8.578 -1.800 0.000) 8.764 4.330 ( 2.683 -1.936 0.000) 3.308 4.458 ( -2.239 0.854 0.000) 2.396 4.502 ( -2.561 -1.898 0.000) 3.188 4.718 ( -1.238 -1.691 0.000) 2.096 4.813 ( -2.024 1.945 0.000) 2.807 4.907 ( 3.028 -12.821 0.000) 13.174 4.985 ( 5.014 13.413 0.000) 14.320 5.102 ( -7.946 -2.824 0.000) 8.433 5.417 ( 3.292 11.131 0.000) 11.608 5.494 ( 1.060 8.228 0.000) 8.296 5.580 ( 11.877 3.870 0.000) 12.492 5.914 ( 9.980 3.687 0.000) 10.639 5.984 ( -1.305 10.201 0.000) 10.284 6.157 ( 1.506 -3.360 0.000) 3.682 6.733 ( -0.048 0.346 0.000) 0.350 6.760 ( -8.137 -5.349 0.000) 9.738 6.831 ( -8.854 -11.727 0.000) 14.694 7.217 ( -2.011 -6.332 0.000) 6.644 7.475 ( -3.911 1.460 0.000) 4.175 7.782 ( 4.403 0.627 0.000) 4.447 8.005 ( 2.942 2.985 0.000) 4.191 8.434 ( 14.729 12.469 0.000) 19.298 8.869 ( 9.798 26.746 0.000) 28.484 10.179 ( 3.093 -0.037 0.000) 3.093 10.482 ( -2.728 1.579 0.000) 3.152 10.690 ( 1.037 3.198 0.000) 3.362 10.972 ( -4.760 1.989 0.000) 5.159 12.218 ( 2.479 -3.000 0.000) 3.892 12.363 ( 1.977 1.529 0.000) 2.499 12.468 ( -5.620 -8.291 0.000) 10.017 12.480 ( -0.629 -7.863 0.000) 7.888 15.427 ( 4.022 3.163 0.000) 5.117 15.589 ( 5.538 2.866 0.000) 6.236 15.749 ( -3.254 1.008 0.000) 3.406 15.828 ( -2.637 -2.139 0.000) 3.396 15.984 ( -0.461 -0.234 0.000) 0.517 16.010 ( 1.079 4.499 0.000) 4.626 16.233 ( 4.309 8.287 0.000) 9.340 16.322 ( -4.029 -3.207 0.000) 5.150 17.255 ( 2.652 5.606 0.000) 6.202 17.580 ( -12.913 -6.613 0.000) 14.508 17.768 ( 4.185 -2.627 0.000) 4.941 18.184 ( -1.808 -3.272 0.000) 3.738 19.788 ( -5.529 -15.124 0.000) 16.103 20.657 ( -36.617 -11.936 0.000) 38.513 27.143 ( 14.489 0.685 0.000) 14.505 27.790 ( 7.495 8.007 0.000) 10.967 27.924 ( 7.823 -1.735 0.000) 8.014 28.184 ( 31.411 29.697 0.000) 43.227 28.311 ( -1.701 -4.312 0.000) 4.635 28.783 ( 2.069 13.734 0.000) 13.889 28.809 ( -1.448 -1.130 0.000) 1.837 28.929 ( -5.608 2.539 0.000) 6.156 30.353 ( 1.444 0.415 0.000) 1.502 30.360 ( 1.722 1.289 0.000) 2.151 30.591 ( 3.977 -5.439 0.000) 6.738 31.044 ( 0.563 3.200 0.000) 3.249 31.831 ( 9.157 -22.895 0.000) 24.658 32.454 ( 7.317 7.468 0.000) 10.455 32.761 ( -40.806 -54.953 0.000) 68.447 34.947 ( -29.184 15.230 0.000) 32.919 ======================= Grid point 3 (4/75) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 21.191 -14.574 0.000) 25.719 1.691 ( 2.731 -5.801 0.000) 6.411 1.734 ( 2.647 -18.609 0.000) 18.796 2.434 ( -1.083 1.012 0.000) 1.482 2.515 ( 21.058 -5.356 0.000) 21.728 2.696 ( 6.044 3.118 0.000) 6.801 2.752 ( 12.988 -3.416 0.000) 13.430 2.762 ( 17.216 2.788 0.000) 17.440 2.903 ( 16.671 -12.029 0.000) 20.558 3.345 ( -4.540 -0.032 0.000) 4.541 3.464 ( 4.993 -13.231 0.000) 14.142 3.515 ( 4.333 -7.664 0.000) 8.804 3.648 ( -4.896 11.187 0.000) 12.212 3.856 ( 8.144 4.435 0.000) 9.273 3.987 ( 2.806 -2.917 0.000) 4.047 4.083 ( 5.744 -0.688 0.000) 5.785 4.323 ( -3.149 -3.303 0.000) 4.564 4.337 ( 6.374 -3.125 0.000) 7.099 4.419 ( -0.992 1.257 0.000) 1.601 4.535 ( 3.580 -2.050 0.000) 4.126 4.668 ( -8.853 4.626 0.000) 9.989 4.733 ( 0.956 -2.450 0.000) 2.630 4.876 ( -1.169 9.665 0.000) 9.736 5.018 ( -3.183 4.610 0.000) 5.602 5.109 ( 4.008 2.230 0.000) 4.587 5.277 ( -0.954 -1.405 0.000) 1.699 5.383 ( -1.095 11.104 0.000) 11.158 5.735 ( 10.068 1.238 0.000) 10.143 5.865 ( -2.057 3.519 0.000) 4.076 6.047 ( 6.954 1.967 0.000) 7.227 6.253 ( 7.163 -3.485 0.000) 7.966 6.690 ( -5.203 -0.073 0.000) 5.203 6.722 ( 0.447 1.691 0.000) 1.749 6.820 ( -8.545 -8.086 0.000) 11.764 7.251 ( -1.393 -4.388 0.000) 4.603 7.409 ( -1.918 2.408 0.000) 3.079 7.842 ( 4.304 0.652 0.000) 4.353 7.991 ( 0.553 3.531 0.000) 3.574 8.486 ( 11.626 12.339 0.000) 16.954 8.701 ( 0.043 12.981 0.000) 12.981 10.231 ( 3.484 -0.079 0.000) 3.484 10.415 ( -3.340 1.447 0.000) 3.639 10.678 ( 1.813 2.092 0.000) 2.768 10.867 ( -5.438 1.895 0.000) 5.759 12.296 ( 2.284 -3.314 0.000) 4.024 12.374 ( 2.261 2.225 0.000) 3.172 12.486 ( -2.946 -5.804 0.000) 6.509 12.544 ( -1.772 -5.337 0.000) 5.623 15.471 ( 5.029 1.392 0.000) 5.218 15.636 ( 5.515 3.252 0.000) 6.403 15.685 ( -4.054 0.236 0.000) 4.061 15.799 ( -5.106 -2.900 0.000) 5.872 15.981 ( -0.042 -0.006 0.000) 0.043 15.988 ( 1.592 2.580 0.000) 3.032 16.222 ( 5.677 6.564 0.000) 8.679 16.295 ( -4.718 -3.576 0.000) 5.920 17.238 ( 3.558 4.574 0.000) 5.795 17.461 ( -8.743 -1.380 0.000) 8.851 17.868 ( 5.121 -1.747 0.000) 5.411 18.151 ( -3.635 1.178 0.000) 3.821 19.882 ( -3.573 -12.245 0.000) 12.756 20.304 ( -22.399 -5.925 0.000) 23.170 27.368 ( 16.024 2.021 0.000) 16.150 27.783 ( 0.113 3.014 0.000) 3.016 28.081 ( 6.798 -4.707 0.000) 8.268 28.288 ( 20.986 21.686 0.000) 30.178 28.347 ( -0.825 -5.452 0.000) 5.514 28.673 ( 1.967 8.367 0.000) 8.595 28.784 ( -9.998 1.110 0.000) 10.060 28.785 ( -3.648 -1.202 0.000) 3.841 30.370 ( 0.977 0.003 0.000) 0.977 30.373 ( 1.513 0.902 0.000) 1.762 30.725 ( 4.232 -5.728 0.000) 7.122 31.008 ( -0.491 3.207 0.000) 3.245 32.234 ( 2.798 -25.501 0.000) 25.654 32.478 ( 10.949 12.125 0.000) 16.337 32.835 ( -12.809 -28.882 0.000) 31.595 34.285 ( -30.781 15.822 0.000) 34.610 ======================= Grid point 4 (5/75) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 13.621 -18.464 0.000) 22.944 1.789 ( 6.441 -1.911 0.000) 6.718 1.840 ( -1.022 -0.208 0.000) 1.043 2.189 ( -14.311 12.818 0.000) 19.212 2.778 ( 3.700 -8.956 0.000) 9.690 2.814 ( 10.617 -2.002 0.000) 10.804 2.915 ( 5.282 2.273 0.000) 5.750 2.938 ( 2.286 -0.322 0.000) 2.308 3.257 ( -2.958 -1.993 0.000) 3.567 3.327 ( 8.594 -2.157 0.000) 8.860 3.416 ( 7.058 8.123 0.000) 10.761 3.593 ( -6.705 -4.055 0.000) 7.836 3.765 ( 0.792 -17.808 0.000) 17.825 3.886 ( 3.900 7.440 0.000) 8.400 4.086 ( 4.831 -5.034 0.000) 6.977 4.216 ( 1.135 2.554 0.000) 2.795 4.244 ( 4.161 -1.246 0.000) 4.343 4.390 ( -4.806 -0.573 0.000) 4.840 4.492 ( 6.033 2.100 0.000) 6.388 4.494 ( -4.466 2.287 0.000) 5.017 4.602 ( 2.332 -1.207 0.000) 2.625 4.725 ( -5.147 6.614 0.000) 8.381 4.792 ( -1.802 -7.358 0.000) 7.576 4.894 ( -0.713 9.971 0.000) 9.997 5.023 ( 3.334 0.497 0.000) 3.371 5.192 ( -5.171 11.406 0.000) 12.523 5.495 ( 5.560 -14.344 0.000) 15.383 5.704 ( -1.837 10.206 0.000) 10.370 5.940 ( 4.620 -5.760 0.000) 7.384 6.048 ( -1.348 3.663 0.000) 3.903 6.439 ( 11.044 -1.396 0.000) 11.132 6.593 ( -7.599 0.174 0.000) 7.601 6.720 ( 2.269 1.562 0.000) 2.755 6.764 ( -6.343 -2.718 0.000) 6.901 7.292 ( -0.032 -4.345 0.000) 4.345 7.350 ( -0.963 3.787 0.000) 3.907 7.898 ( 3.099 -0.396 0.000) 3.124 7.948 ( -1.405 2.220 0.000) 2.627 8.514 ( 7.835 7.103 0.000) 10.575 8.575 ( -4.513 1.900 0.000) 4.896 10.287 ( 3.522 -0.312 0.000) 3.536 10.348 ( -3.498 0.852 0.000) 3.600 10.702 ( 3.349 0.543 0.000) 3.393 10.768 ( -4.821 0.965 0.000) 4.917 12.355 ( 0.146 -3.064 0.000) 3.067 12.376 ( 1.721 2.754 0.000) 3.248 12.518 ( 0.199 -2.986 0.000) 2.993 12.551 ( -2.018 -1.052 0.000) 2.276 15.541 ( 5.339 0.590 0.000) 5.372 15.616 ( -4.823 -0.174 0.000) 4.826 15.686 ( 6.209 3.451 0.000) 7.103 15.744 ( -6.535 -3.368 0.000) 7.352 15.985 ( -0.173 -0.764 0.000) 0.783 15.988 ( 1.165 1.455 0.000) 1.864 16.240 ( 5.701 5.423 0.000) 7.868 16.265 ( -5.251 -4.460 0.000) 6.889 17.265 ( 5.233 2.008 0.000) 5.605 17.347 ( -6.928 -0.308 0.000) 6.935 17.967 ( 5.135 -1.560 0.000) 5.367 18.064 ( -4.685 1.938 0.000) 5.070 19.976 ( 1.806 -5.962 0.000) 6.230 20.097 ( -10.393 -0.659 0.000) 10.414 27.572 ( 13.775 2.858 0.000) 14.068 27.715 ( -7.902 -1.443 0.000) 8.033 28.221 ( -2.689 -12.383 0.000) 12.672 28.295 ( 12.091 19.067 0.000) 22.577 28.437 ( 6.709 -2.520 0.000) 7.167 28.601 ( -11.566 -0.092 0.000) 11.567 28.667 ( 5.834 4.432 0.000) 7.326 28.728 ( -5.903 -1.973 0.000) 6.224 30.381 ( 0.117 -0.366 0.000) 0.384 30.382 ( 0.796 0.644 0.000) 1.023 30.850 ( 3.399 -5.084 0.000) 6.115 30.947 ( -1.972 4.011 0.000) 4.469 32.456 ( -12.798 -24.688 0.000) 27.808 32.493 ( 14.057 17.987 0.000) 22.829 33.128 ( 15.739 -16.020 0.000) 22.458 33.651 ( -26.725 14.813 0.000) 30.556 ======================= Grid point 10 (6/75) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.567 ( 18.116 0.000 0.000) 18.116 0.671 ( 22.414 0.000 0.000) 22.414 1.493 ( 7.599 0.000 0.000) 7.599 1.893 ( 52.652 0.000 0.000) 52.652 1.948 ( 35.155 0.000 0.000) 35.155 2.334 ( 16.595 0.000 0.000) 16.595 2.435 ( 14.015 0.000 0.000) 14.015 2.700 ( -7.702 -0.000 0.000) 7.702 2.913 ( 5.834 0.000 0.000) 5.834 3.169 ( 14.150 0.000 0.000) 14.150 3.299 ( -4.995 -0.000 0.000) 4.995 3.402 ( -0.112 -0.000 0.000) 0.112 3.850 ( 5.446 0.000 0.000) 5.446 3.862 ( 3.469 0.000 0.000) 3.469 4.048 ( -1.842 -0.000 0.000) 1.842 4.048 ( 0.191 0.000 0.000) 0.191 4.259 ( 0.696 0.000 0.000) 0.696 4.268 ( 12.299 0.000 0.000) 12.299 4.454 ( -4.810 -0.000 0.000) 4.810 4.456 ( -4.257 -0.000 0.000) 4.257 4.608 ( 0.662 0.000 0.000) 0.662 4.770 ( -3.249 -0.000 0.000) 3.249 4.794 ( 7.309 0.000 0.000) 7.309 5.049 ( -13.551 -0.000 0.000) 13.551 5.190 ( -0.845 -0.000 0.000) 0.845 5.560 ( 11.742 0.000 0.000) 11.742 5.600 ( 1.307 0.000 0.000) 1.307 5.994 ( 4.415 0.000 0.000) 4.415 6.051 ( 5.597 0.000 0.000) 5.597 6.111 ( -1.786 -0.000 0.000) 1.786 6.111 ( 1.946 0.000 0.000) 1.946 6.165 ( -1.838 -0.000 0.000) 1.838 6.725 ( 0.068 0.000 0.000) 0.068 6.841 ( -4.521 -0.000 0.000) 4.521 7.091 ( 0.654 0.000 0.000) 0.654 7.490 ( -4.421 -0.000 0.000) 4.421 7.789 ( 4.525 0.000 0.000) 4.525 8.040 ( 2.818 0.000 0.000) 2.818 8.598 ( 13.575 0.000 0.000) 13.575 9.419 ( -14.601 -0.000 0.000) 14.601 10.150 ( 1.710 0.000 0.000) 1.710 10.501 ( -3.135 -0.000 0.000) 3.135 10.766 ( -0.837 -0.000 0.000) 0.837 10.996 ( -5.221 -0.000 0.000) 5.221 12.181 ( 2.786 0.000 0.000) 2.786 12.281 ( 0.624 0.000 0.000) 0.624 12.359 ( 0.499 0.000 0.000) 0.499 12.389 ( 2.630 0.000 0.000) 2.630 15.476 ( 0.267 0.000 0.000) 0.267 15.683 ( 3.615 0.000 0.000) 3.615 15.778 ( -4.950 -0.000 0.000) 4.950 15.785 ( -1.576 -0.000 0.000) 1.576 15.984 ( 0.374 0.000 0.000) 0.374 16.091 ( 0.296 0.000 0.000) 0.296 16.363 ( 1.210 0.000 0.000) 1.210 16.363 ( 2.680 0.000 0.000) 2.680 17.321 ( 2.422 0.000 0.000) 2.422 17.366 ( 5.542 0.000 0.000) 5.542 17.714 ( 4.221 0.000 0.000) 4.221 18.089 ( 1.550 0.000 0.000) 1.550 19.546 ( -6.389 -0.000 0.000) 6.389 20.327 ( -28.175 -0.000 0.000) 28.175 27.152 ( 15.314 0.000 0.000) 15.314 27.844 ( 1.775 0.000 0.000) 1.775 27.901 ( 6.741 0.000 0.000) 6.741 28.259 ( -1.446 -0.000 0.000) 1.446 28.620 ( 4.519 0.000 0.000) 4.519 28.793 ( -1.278 -0.000 0.000) 1.278 28.866 ( -7.470 -0.000 0.000) 7.470 29.955 ( -14.388 -0.000 0.000) 14.388 30.388 ( 1.380 0.000 0.000) 1.380 30.515 ( 4.937 0.000 0.000) 4.937 30.596 ( 4.832 0.000 0.000) 4.832 30.643 ( 0.672 0.000 0.000) 0.672 31.207 ( 5.711 0.000 0.000) 5.711 31.591 ( 19.291 0.000 0.000) 19.291 32.545 ( 7.883 0.000 0.000) 7.883 35.142 ( -32.032 -0.000 0.000) 32.032 ======================= Grid point 11 (7/75) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 21.276 -4.333 0.000) 21.712 1.038 ( 13.363 -28.802 0.000) 31.751 1.629 ( 9.057 -0.092 0.000) 9.058 2.405 ( 21.966 -2.841 0.000) 22.149 2.436 ( 0.984 0.402 0.000) 1.063 2.642 ( 14.897 -4.104 0.000) 15.452 2.700 ( 17.113 -0.987 0.000) 17.141 2.733 ( 31.693 -0.366 0.000) 31.695 2.944 ( 0.039 4.021 0.000) 4.022 3.274 ( -3.579 -6.687 0.000) 7.584 3.365 ( 9.019 -0.728 0.000) 9.048 3.390 ( 2.244 3.097 0.000) 3.825 3.896 ( -5.889 6.469 0.000) 8.748 3.941 ( 4.852 -0.905 0.000) 4.936 3.970 ( 10.995 3.128 0.000) 11.431 4.107 ( 3.574 2.204 0.000) 4.199 4.254 ( -0.930 -1.212 0.000) 1.527 4.318 ( 1.560 4.833 0.000) 5.079 4.406 ( -2.759 -0.748 0.000) 2.858 4.484 ( 4.056 -2.339 0.000) 4.682 4.707 ( 4.004 -6.632 0.000) 7.747 4.748 ( -13.573 1.275 0.000) 13.633 4.783 ( 0.988 -9.227 0.000) 9.280 4.989 ( 2.819 -3.605 0.000) 4.576 5.117 ( -3.070 6.562 0.000) 7.244 5.595 ( 1.696 4.859 0.000) 5.146 5.613 ( 2.601 11.572 0.000) 11.860 5.872 ( 6.244 14.915 0.000) 16.169 6.074 ( -1.522 8.471 0.000) 8.607 6.094 ( 8.769 1.525 0.000) 8.900 6.166 ( 4.468 -2.783 0.000) 5.263 6.377 ( -5.954 -21.634 0.000) 22.439 6.729 ( -0.215 -0.671 0.000) 0.704 6.755 ( -5.372 0.121 0.000) 5.374 7.130 ( -0.463 -4.626 0.000) 4.649 7.436 ( -2.384 0.310 0.000) 2.404 7.854 ( 3.792 0.306 0.000) 3.805 8.048 ( -0.964 1.172 0.000) 1.517 8.729 ( 7.980 6.112 0.000) 10.051 9.068 ( -14.779 13.027 0.000) 19.700 10.197 ( 1.914 -2.216 0.000) 2.928 10.439 ( -4.441 0.484 0.000) 4.468 10.738 ( -0.001 2.312 0.000) 2.312 10.898 ( -6.618 0.660 0.000) 6.651 12.235 ( 3.174 -1.065 0.000) 3.348 12.331 ( -0.288 -5.698 0.000) 5.705 12.385 ( 0.352 -2.213 0.000) 2.241 12.441 ( 3.622 -0.672 0.000) 3.684 15.488 ( 2.044 0.202 0.000) 2.054 15.688 ( -5.921 0.085 0.000) 5.922 15.734 ( 5.887 2.754 0.000) 6.499 15.757 ( -3.174 -0.827 0.000) 3.280 15.990 ( 0.677 0.439 0.000) 0.807 16.072 ( 0.391 3.333 0.000) 3.356 16.334 ( 1.675 6.251 0.000) 6.472 16.383 ( 4.126 4.612 0.000) 6.189 17.397 ( -0.768 -4.008 0.000) 4.081 17.414 ( 6.784 7.792 0.000) 10.332 17.815 ( 6.056 -2.422 0.000) 6.522 18.133 ( 0.311 -2.271 0.000) 2.292 19.525 ( -5.734 -12.192 0.000) 13.473 19.988 ( -26.883 -13.884 0.000) 30.256 27.408 ( 17.771 1.064 0.000) 17.803 27.804 ( -6.102 0.064 0.000) 6.102 27.981 ( 0.180 -2.617 0.000) 2.623 28.275 ( 3.855 -1.172 0.000) 4.029 28.672 ( 7.018 5.926 0.000) 9.185 28.743 ( -8.558 -0.921 0.000) 8.607 28.762 ( -3.488 -0.599 0.000) 3.539 29.385 ( -0.229 43.484 0.000) 43.484 30.402 ( 1.512 1.080 0.000) 1.859 30.427 ( 4.145 7.616 0.000) 8.671 30.615 ( 5.301 -2.770 0.000) 5.981 30.999 ( -6.634 -13.274 0.000) 14.839 31.486 ( -1.629 -31.914 0.000) 31.955 32.084 ( 21.159 -22.013 0.000) 30.533 32.677 ( 12.304 4.194 0.000) 13.000 34.564 ( -35.647 6.395 0.000) 36.216 ======================= Grid point 12 (8/75) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 17.098 -8.688 0.000) 19.179 1.555 ( 8.915 -24.955 0.000) 26.499 1.764 ( 9.388 0.590 0.000) 9.406 2.287 ( -12.982 -1.427 0.000) 13.060 2.731 ( 15.213 -3.890 0.000) 15.702 2.827 ( -1.966 9.973 0.000) 10.165 2.923 ( 11.784 -1.778 0.000) 11.917 2.927 ( 11.223 -0.350 0.000) 11.228 3.201 ( 19.312 -2.229 0.000) 19.441 3.293 ( -2.755 -0.856 0.000) 2.885 3.413 ( 1.314 -2.373 0.000) 2.713 3.443 ( -2.930 -4.256 0.000) 5.167 3.745 ( 1.482 9.146 0.000) 9.266 3.999 ( 2.509 6.774 0.000) 7.224 4.045 ( 7.230 -0.255 0.000) 7.235 4.158 ( -9.592 -3.330 0.000) 10.154 4.232 ( 12.989 -0.223 0.000) 12.991 4.369 ( -5.136 -0.896 0.000) 5.213 4.430 ( 8.940 -2.660 0.000) 9.328 4.535 ( -10.593 -0.774 0.000) 10.621 4.564 ( 3.490 -2.020 0.000) 4.032 4.783 ( 4.733 0.970 0.000) 4.832 4.939 ( -5.596 9.487 0.000) 11.014 5.030 ( -1.282 2.055 0.000) 2.422 5.048 ( 4.801 -20.409 0.000) 20.966 5.399 ( -2.616 21.533 0.000) 21.692 5.521 ( 0.331 11.124 0.000) 11.129 5.846 ( -0.607 2.235 0.000) 2.316 5.952 ( 4.076 10.010 0.000) 10.808 6.138 ( 1.983 3.418 0.000) 3.952 6.353 ( 10.306 -5.106 0.000) 11.501 6.457 ( -9.843 -12.484 0.000) 15.898 6.687 ( -5.041 -2.464 0.000) 5.611 6.732 ( -0.199 -0.599 0.000) 0.631 7.174 ( -1.260 -5.101 0.000) 5.254 7.402 ( -1.328 0.873 0.000) 1.590 7.893 ( 1.484 0.060 0.000) 1.486 7.989 ( -4.377 1.123 0.000) 4.519 8.711 ( -14.674 7.883 0.000) 16.658 8.712 ( 1.377 7.677 0.000) 7.800 10.254 ( 1.928 -2.320 0.000) 3.017 10.359 ( -5.177 0.169 0.000) 5.180 10.723 ( 1.167 1.267 0.000) 1.723 10.786 ( -6.660 0.469 0.000) 6.677 12.288 ( 1.052 -1.801 0.000) 2.086 12.408 ( -0.037 -0.951 0.000) 0.952 12.408 ( 1.738 -5.623 0.000) 5.885 12.508 ( 3.550 -0.751 0.000) 3.628 15.535 ( 3.347 -0.718 0.000) 3.423 15.597 ( -6.445 -0.905 0.000) 6.508 15.708 ( -4.021 -0.424 0.000) 4.043 15.797 ( 7.204 3.848 0.000) 8.168 15.992 ( 0.701 1.051 0.000) 1.263 16.041 ( 0.712 2.904 0.000) 2.990 16.280 ( 0.882 5.948 0.000) 6.013 16.395 ( 5.707 5.776 0.000) 8.120 17.379 ( -2.107 2.309 0.000) 3.126 17.413 ( 7.789 9.920 0.000) 12.612 17.932 ( 5.811 -1.324 0.000) 5.960 18.113 ( -3.055 2.015 0.000) 3.660 19.650 ( -1.959 -17.891 0.000) 17.998 19.843 ( -16.899 -18.001 0.000) 24.691 27.645 ( 14.544 3.053 0.000) 14.861 27.678 ( -10.635 -1.231 0.000) 10.706 27.972 ( -7.720 -7.774 0.000) 10.956 28.406 ( 10.534 -0.682 0.000) 10.556 28.581 ( -11.139 -0.612 0.000) 11.156 28.695 ( -6.292 -0.886 0.000) 6.354 28.732 ( 7.594 6.543 0.000) 10.024 28.968 ( 0.858 28.066 0.000) 28.079 30.409 ( 1.084 1.241 0.000) 1.648 30.412 ( 2.175 3.770 0.000) 4.352 30.733 ( 4.285 -4.084 0.000) 5.920 30.995 ( -3.850 -1.981 0.000) 4.329 31.791 ( -5.751 -28.207 0.000) 28.787 32.674 ( 22.472 -19.557 0.000) 29.790 32.820 ( 16.273 8.994 0.000) 18.593 33.942 ( -31.666 8.871 0.000) 32.885 ======================= Grid point 13 (9/75) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 6.241 -7.740 0.000) 9.943 1.802 ( -1.631 -3.300 0.000) 3.681 1.962 ( 14.909 -4.357 0.000) 15.533 2.114 ( -9.042 2.993 0.000) 9.524 2.738 ( -0.670 -1.244 0.000) 1.413 2.920 ( 4.241 0.156 0.000) 4.244 2.955 ( -3.982 5.143 0.000) 6.504 3.039 ( 2.234 7.186 0.000) 7.525 3.240 ( 0.745 -1.271 0.000) 1.473 3.341 ( -15.420 -3.996 0.000) 15.929 3.347 ( -3.377 -1.261 0.000) 3.604 3.475 ( 2.418 -7.555 0.000) 7.932 3.764 ( 7.953 5.904 0.000) 9.905 3.953 ( -0.376 3.052 0.000) 3.075 4.126 ( -2.385 -6.698 0.000) 7.110 4.168 ( 5.510 -0.744 0.000) 5.560 4.240 ( -7.828 -0.395 0.000) 7.838 4.429 ( 11.947 0.529 0.000) 11.959 4.481 ( -0.584 -0.274 0.000) 0.645 4.565 ( 1.976 -3.302 0.000) 3.849 4.660 ( 5.869 -2.469 0.000) 6.367 4.737 ( -4.892 7.779 0.000) 9.190 4.782 ( -0.936 12.457 0.000) 12.492 4.930 ( -5.151 4.430 0.000) 6.793 5.135 ( 1.829 10.448 0.000) 10.607 5.330 ( -1.702 17.916 0.000) 17.997 5.354 ( 3.124 -18.647 0.000) 18.907 5.720 ( -6.988 5.484 0.000) 8.883 6.001 ( 5.850 0.873 0.000) 5.915 6.087 ( -1.364 5.829 0.000) 5.987 6.390 ( -11.984 -6.043 0.000) 13.421 6.542 ( 5.786 -3.776 0.000) 6.909 6.657 ( -3.756 -3.618 0.000) 5.215 6.764 ( 3.586 -2.157 0.000) 4.185 7.223 ( -0.851 -6.187 0.000) 6.245 7.369 ( -0.705 1.961 0.000) 2.084 7.900 ( -1.355 -1.385 0.000) 1.938 7.900 ( -6.131 -0.280 0.000) 6.137 8.433 ( -14.747 0.513 0.000) 14.756 8.617 ( -3.548 4.211 0.000) 5.507 10.280 ( -5.313 -0.637 0.000) 5.351 10.311 ( 1.929 -2.250 0.000) 2.964 10.691 ( -5.471 -0.471 0.000) 5.491 10.748 ( 2.537 -0.570 0.000) 2.601 12.311 ( -0.918 -2.111 0.000) 2.302 12.403 ( -1.033 0.473 0.000) 1.136 12.512 ( 3.480 -4.226 0.000) 5.474 12.562 ( 3.722 1.300 0.000) 3.943 15.511 ( -6.510 -1.408 0.000) 6.660 15.602 ( 3.718 -1.062 0.000) 3.866 15.651 ( -3.643 -0.203 0.000) 3.649 15.862 ( 7.846 4.807 0.000) 9.202 15.986 ( 0.161 1.244 0.000) 1.254 16.022 ( 0.261 1.887 0.000) 1.904 16.217 ( -0.645 4.784 0.000) 4.827 16.418 ( 6.570 6.390 0.000) 9.164 17.299 ( -2.440 4.405 0.000) 5.035 17.436 ( 9.308 7.805 0.000) 12.147 18.015 ( -5.022 2.840 0.000) 5.769 18.026 ( 4.612 -1.051 0.000) 4.731 19.867 ( -6.817 -14.799 0.000) 16.294 19.879 ( 4.057 -17.107 0.000) 17.581 27.512 ( -13.277 -2.024 0.000) 13.430 27.717 ( -4.743 -1.793 0.000) 5.071 28.000 ( 1.040 -5.669 0.000) 5.763 28.391 ( -12.784 1.305 0.000) 12.851 28.579 ( 3.604 -1.491 0.000) 3.900 28.609 ( 0.402 -1.030 0.000) 1.106 28.694 ( 3.594 18.292 0.000) 18.642 28.791 ( 3.450 3.473 0.000) 4.896 30.398 ( 0.862 2.511 0.000) 2.655 30.405 ( 0.403 1.271 0.000) 1.333 30.839 ( 2.614 -4.487 0.000) 5.192 30.942 ( -3.268 1.583 0.000) 3.631 31.992 ( -6.921 -22.112 0.000) 23.170 32.939 ( 15.184 15.153 0.000) 21.452 33.256 ( 24.594 -17.299 0.000) 30.068 33.419 ( -19.532 8.558 0.000) 21.324 ======================= Grid point 14 (10/75) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -17.181 9.357 0.000) 19.564 1.843 ( 2.815 -4.475 0.000) 5.286 1.947 ( 2.845 14.800 0.000) 15.071 2.267 ( 11.448 -8.396 0.000) 14.197 2.626 ( -18.741 3.333 0.000) 19.035 2.713 ( -26.495 3.870 0.000) 26.776 2.833 ( -5.189 2.307 0.000) 5.678 2.901 ( -5.774 8.867 0.000) 10.581 3.067 ( -10.084 2.672 0.000) 10.432 3.330 ( 2.706 -4.004 0.000) 4.832 3.448 ( 11.107 -3.605 0.000) 11.677 3.599 ( -2.105 -8.381 0.000) 8.642 3.710 ( -7.461 3.698 0.000) 8.327 3.901 ( -1.984 6.459 0.000) 6.757 4.077 ( -8.027 -1.856 0.000) 8.239 4.143 ( -1.048 7.563 0.000) 7.636 4.305 ( 2.667 0.592 0.000) 2.732 4.404 ( -6.992 11.171 0.000) 13.178 4.430 ( -0.681 3.600 0.000) 3.664 4.580 ( 6.594 -2.133 0.000) 6.930 4.633 ( -1.335 6.398 0.000) 6.536 4.702 ( -0.962 -7.313 0.000) 7.376 4.801 ( 6.740 -5.574 0.000) 8.746 4.856 ( 0.539 -1.119 0.000) 1.242 5.084 ( -1.013 16.340 0.000) 16.372 5.214 ( 7.309 -2.902 0.000) 7.865 5.521 ( -7.635 8.110 0.000) 11.138 5.559 ( -1.532 -12.463 0.000) 12.557 5.964 ( -3.753 7.082 0.000) 8.015 6.019 ( -4.886 0.090 0.000) 4.887 6.286 ( -5.599 -1.702 0.000) 5.852 6.626 ( 1.312 -3.355 0.000) 3.602 6.656 ( -1.967 -3.592 0.000) 4.095 6.896 ( 8.311 -2.416 0.000) 8.655 7.299 ( 0.406 -6.845 0.000) 6.857 7.339 ( 0.859 2.897 0.000) 3.022 7.815 ( -6.453 -1.863 0.000) 6.717 7.893 ( -3.383 -3.969 0.000) 5.215 8.238 ( -15.519 -6.532 0.000) 16.838 8.520 ( -7.621 -2.619 0.000) 8.059 10.211 ( -5.033 -1.303 0.000) 5.199 10.369 ( 1.962 -2.405 0.000) 3.104 10.634 ( -3.544 -1.763 0.000) 3.959 10.813 ( 3.551 -2.339 0.000) 4.252 12.316 ( -1.657 -2.177 0.000) 2.736 12.364 ( -2.074 1.948 0.000) 2.845 12.595 ( 4.367 3.462 0.000) 5.573 12.602 ( 3.582 -1.165 0.000) 3.767 15.433 ( -5.733 -1.472 0.000) 5.919 15.604 ( -2.636 -0.102 0.000) 2.638 15.671 ( 3.717 -0.878 0.000) 3.819 15.913 ( 6.241 5.868 0.000) 8.567 15.966 ( -0.873 0.944 0.000) 1.286 16.000 ( 0.031 1.453 0.000) 1.454 16.152 ( -2.322 2.041 0.000) 3.091 16.441 ( 6.816 6.962 0.000) 9.743 17.218 ( -1.779 2.977 0.000) 3.468 17.518 ( 11.024 4.715 0.000) 11.990 17.906 ( -5.154 1.817 0.000) 5.465 18.106 ( 3.635 -1.864 0.000) 4.085 19.955 ( 0.150 -7.436 0.000) 7.438 20.189 ( 11.949 -14.440 0.000) 18.743 27.321 ( -14.216 -1.753 0.000) 14.324 27.601 ( -17.650 -9.431 0.000) 20.012 28.051 ( -1.845 -0.801 0.000) 2.011 28.172 ( -11.840 2.715 0.000) 12.147 28.538 ( -2.855 -3.690 0.000) 4.666 28.553 ( 1.386 11.271 0.000) 11.356 28.773 ( 10.276 -0.839 0.000) 10.311 28.817 ( 2.741 1.464 0.000) 3.108 30.378 ( -0.138 1.729 0.000) 1.734 30.391 ( -0.239 1.332 0.000) 1.353 30.857 ( -3.057 4.437 0.000) 5.388 30.918 ( 0.932 -4.100 0.000) 4.204 32.119 ( -6.503 -16.758 0.000) 17.976 32.757 ( -9.970 18.030 0.000) 20.603 33.305 ( 17.749 11.685 0.000) 21.250 33.857 ( 25.428 -18.683 0.000) 31.553 ======================= Grid point 15 (11/75) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -18.974 18.322 0.000) 26.377 1.826 ( 3.026 14.818 0.000) 15.124 1.839 ( -13.086 6.803 0.000) 14.749 2.078 ( -31.196 0.703 0.000) 31.204 2.171 ( -31.135 5.742 0.000) 31.660 2.598 ( 6.542 -10.510 0.000) 12.380 2.656 ( -8.049 7.574 0.000) 11.052 2.666 ( -5.749 12.297 0.000) 13.574 2.909 ( -3.976 7.026 0.000) 8.073 3.393 ( -11.118 9.326 0.000) 14.512 3.510 ( 5.433 -3.790 0.000) 6.624 3.549 ( -10.885 21.062 0.000) 23.708 3.664 ( 7.320 -0.208 0.000) 7.323 3.675 ( -4.364 -7.896 0.000) 9.022 4.021 ( -3.860 -2.544 0.000) 4.623 4.021 ( 0.308 5.555 0.000) 5.564 4.231 ( -7.069 1.796 0.000) 7.294 4.354 ( -2.645 -6.448 0.000) 6.970 4.393 ( -0.964 5.866 0.000) 5.945 4.559 ( 1.798 3.199 0.000) 3.670 4.712 ( 4.216 -5.877 0.000) 7.233 4.765 ( -2.044 -6.206 0.000) 6.534 4.800 ( -0.963 8.640 0.000) 8.693 5.005 ( 7.048 -9.145 0.000) 11.546 5.052 ( 3.588 -1.531 0.000) 3.901 5.329 ( -3.034 7.094 0.000) 7.715 5.341 ( 4.046 -2.582 0.000) 4.799 5.581 ( -7.331 -2.055 0.000) 7.614 5.853 ( -2.164 0.959 0.000) 2.367 5.861 ( -13.771 -1.093 0.000) 13.815 6.250 ( 0.673 3.496 0.000) 3.560 6.683 ( -0.291 -3.636 0.000) 3.648 6.691 ( 1.012 -4.513 0.000) 4.625 7.048 ( 10.022 0.900 0.000) 10.062 7.335 ( 4.010 3.811 0.000) 5.532 7.398 ( 2.774 -5.627 0.000) 6.273 7.750 ( -5.169 -2.483 0.000) 5.734 7.896 ( -4.020 -5.831 0.000) 7.083 8.103 ( -16.659 -12.203 0.000) 20.650 8.436 ( -13.869 -10.072 0.000) 17.141 10.156 ( -4.271 -1.498 0.000) 4.526 10.429 ( 1.825 -2.690 0.000) 3.251 10.622 ( -1.650 -2.795 0.000) 3.246 10.905 ( 3.572 -3.369 0.000) 4.909 12.298 ( -2.243 3.168 0.000) 3.881 12.316 ( -1.640 -2.095 0.000) 2.661 12.616 ( 4.756 4.639 0.000) 6.644 12.639 ( 2.641 3.441 0.000) 4.338 15.372 ( -4.272 -1.450 0.000) 4.511 15.569 ( -1.894 0.371 0.000) 1.930 15.734 ( 3.412 -0.324 0.000) 3.427 15.896 ( 0.376 4.102 0.000) 4.119 15.943 ( -1.421 -0.467 0.000) 1.495 16.009 ( 2.980 1.940 0.000) 3.556 16.102 ( -3.239 -1.147 0.000) 3.436 16.460 ( 6.324 6.893 0.000) 9.354 17.181 ( -0.717 -0.006 0.000) 0.717 17.659 ( 12.682 2.504 0.000) 12.927 17.815 ( -4.096 1.425 0.000) 4.337 18.182 ( 2.807 -2.228 0.000) 3.584 20.026 ( 3.624 1.441 0.000) 3.900 20.611 ( 21.324 -13.786 0.000) 25.392 27.125 ( -12.734 -0.770 0.000) 12.758 27.408 ( -25.711 -13.786 0.000) 29.174 27.957 ( -9.360 0.212 0.000) 9.362 27.976 ( -9.142 2.435 0.000) 9.460 28.456 ( 0.352 7.388 0.000) 7.396 28.594 ( 2.463 -4.581 0.000) 5.201 28.834 ( 1.205 0.802 0.000) 1.447 28.923 ( 7.705 -0.688 0.000) 7.736 30.354 ( -0.774 1.087 0.000) 1.334 30.367 ( -0.643 1.316 0.000) 1.465 30.745 ( -2.694 6.606 0.000) 7.134 30.967 ( -0.230 -3.334 0.000) 3.342 32.204 ( -5.088 -12.643 0.000) 13.629 32.365 ( -9.745 20.032 0.000) 22.277 33.522 ( 30.235 15.468 0.000) 33.962 34.483 ( 23.375 -21.770 0.000) 31.943 ======================= Grid point 16 (12/75) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( -15.557 19.151 0.000) 24.674 1.122 ( -51.766 6.924 0.000) 52.227 1.543 ( -26.946 9.925 0.000) 28.716 1.709 ( -3.456 14.153 0.000) 14.569 1.765 ( -1.375 29.496 0.000) 29.528 2.418 ( -6.409 13.307 0.000) 14.770 2.451 ( -5.015 8.661 0.000) 10.008 2.791 ( 1.235 -3.498 0.000) 3.709 2.841 ( 3.831 -0.852 0.000) 3.924 3.089 ( -11.720 6.404 0.000) 13.356 3.161 ( -9.164 6.097 0.000) 11.008 3.612 ( 4.267 3.348 0.000) 5.424 3.727 ( 3.121 -2.995 0.000) 4.326 3.820 ( 3.384 -7.937 0.000) 8.628 3.951 ( -0.280 6.705 0.000) 6.711 3.970 ( -6.164 -0.538 0.000) 6.187 4.084 ( -4.237 5.378 0.000) 6.846 4.306 ( -2.346 2.479 0.000) 3.413 4.414 ( -0.989 -7.685 0.000) 7.748 4.567 ( 2.114 2.168 0.000) 3.028 4.747 ( -6.641 -4.114 0.000) 7.812 4.761 ( 1.888 -1.378 0.000) 2.337 4.853 ( 4.127 -2.032 0.000) 4.600 4.996 ( -1.463 10.908 0.000) 11.006 5.182 ( 3.186 -4.395 0.000) 5.428 5.300 ( -1.550 -1.059 0.000) 1.877 5.405 ( 0.301 -4.032 0.000) 4.044 5.456 ( -4.808 2.279 0.000) 5.320 5.711 ( -7.986 -6.369 0.000) 10.215 5.877 ( -0.830 -7.574 0.000) 7.619 6.202 ( 0.286 5.540 0.000) 5.547 6.722 ( 0.353 -2.137 0.000) 2.166 6.762 ( 0.900 -4.625 0.000) 4.712 7.184 ( 9.266 2.429 0.000) 9.579 7.390 ( 13.780 7.065 0.000) 15.485 7.516 ( 5.022 -3.329 0.000) 6.025 7.717 ( -2.042 -1.279 0.000) 2.409 7.904 ( -3.317 -4.967 0.000) 5.972 8.023 ( -14.627 -15.903 0.000) 21.607 8.289 ( -25.768 -13.689 0.000) 29.178 10.118 ( -2.647 -1.307 0.000) 2.952 10.486 ( 1.196 -2.660 0.000) 2.917 10.643 ( -0.478 -3.006 0.000) 3.044 10.994 ( 2.327 -3.414 0.000) 4.131 12.228 ( -1.396 3.584 0.000) 3.846 12.318 ( -1.024 -1.843 0.000) 2.108 12.598 ( 1.134 8.083 0.000) 8.162 12.632 ( 4.303 4.329 0.000) 6.104 15.337 ( -2.587 -1.418 0.000) 2.950 15.533 ( -1.531 1.204 0.000) 1.947 15.785 ( 2.802 -0.275 0.000) 2.816 15.856 ( -1.334 1.050 0.000) 1.698 15.944 ( -0.933 -3.100 0.000) 3.237 16.022 ( 1.871 2.482 0.000) 3.108 16.092 ( -2.408 -5.171 0.000) 5.704 16.466 ( 4.347 6.318 0.000) 7.669 17.190 ( -0.256 -2.299 0.000) 2.313 17.746 ( -2.238 1.915 0.000) 2.945 17.843 ( 12.583 -0.074 0.000) 12.583 18.236 ( 1.926 -0.472 0.000) 1.983 20.015 ( 3.287 9.822 0.000) 10.357 21.187 ( 28.379 -17.658 0.000) 33.424 26.963 ( -7.956 0.178 0.000) 7.958 27.124 ( -31.914 -12.695 0.000) 34.346 27.803 ( -8.363 0.799 0.000) 8.401 27.840 ( -5.018 1.761 0.000) 5.318 28.384 ( 0.049 5.191 0.000) 5.191 28.691 ( 1.985 -5.059 0.000) 5.434 28.835 ( 0.295 0.935 0.000) 0.981 29.019 ( 4.143 0.226 0.000) 4.149 30.332 ( -0.812 0.256 0.000) 0.852 30.343 ( -0.591 0.988 0.000) 1.151 30.624 ( -1.759 7.258 0.000) 7.468 30.996 ( -0.584 -2.768 0.000) 2.829 31.988 ( -5.285 23.054 0.000) 23.652 32.273 ( -2.899 -9.444 0.000) 9.879 33.869 ( 36.312 12.392 0.000) 38.368 35.065 ( 15.426 -23.113 0.000) 27.788 ======================= Grid point 17 (13/75) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.274 ( -0.000 15.034 0.000) 15.034 0.387 ( -0.000 14.950 0.000) 14.950 1.151 ( -0.000 9.596 0.000) 9.596 1.269 ( -0.000 47.965 0.000) 47.965 1.521 ( -0.000 12.874 0.000) 12.874 2.203 ( -0.000 11.637 0.000) 11.637 2.314 ( -0.000 6.958 0.000) 6.958 2.780 ( -0.000 1.631 0.000) 1.631 2.863 ( -0.000 2.865 0.000) 2.865 2.928 ( -0.000 4.460 0.000) 4.460 3.205 ( 0.000 -15.541 0.000) 15.541 3.557 ( -0.000 10.320 0.000) 10.320 3.818 ( 0.000 -4.533 0.000) 4.533 3.870 ( -0.000 5.285 0.000) 5.285 3.892 ( 0.000 -1.103 0.000) 1.103 3.958 ( 0.000 -10.796 0.000) 10.796 4.006 ( -0.000 3.239 0.000) 3.239 4.266 ( -0.000 1.403 0.000) 1.403 4.489 ( 0.000 -4.985 0.000) 4.985 4.561 ( -0.000 1.579 0.000) 1.579 4.674 ( -0.000 0.874 0.000) 0.874 4.783 ( -0.000 9.433 0.000) 9.433 4.850 ( -0.000 7.236 0.000) 7.236 4.886 ( 0.000 -0.985 0.000) 0.985 5.226 ( 0.000 -2.717 0.000) 2.717 5.245 ( -0.000 2.364 0.000) 2.364 5.397 ( -0.000 3.429 0.000) 3.429 5.482 ( 0.000 -7.064 0.000) 7.064 5.779 ( 0.000 -11.145 0.000) 11.145 5.994 ( 0.000 -11.975 0.000) 11.975 6.140 ( -0.000 4.600 0.000) 4.600 6.738 ( 0.000 -0.038 0.000) 0.038 6.823 ( 0.000 -4.227 0.000) 4.227 7.212 ( -0.000 4.956 0.000) 4.956 7.595 ( 0.000 -1.994 0.000) 1.994 7.652 ( 0.000 -1.575 0.000) 1.575 7.709 ( -0.000 0.369 0.000) 0.369 7.933 ( 0.000 -3.951 0.000) 3.951 7.958 ( -0.000 0.312 0.000) 0.312 8.084 ( 0.000 -14.675 0.000) 14.675 10.110 ( 0.000 -0.946 0.000) 0.946 10.525 ( 0.000 -2.056 0.000) 2.056 10.671 ( 0.000 -2.215 0.000) 2.215 11.050 ( 0.000 -2.578 0.000) 2.578 12.176 ( -0.000 3.054 0.000) 3.054 12.330 ( 0.000 -1.409 0.000) 1.409 12.494 ( -0.000 9.656 0.000) 9.656 12.636 ( -0.000 2.294 0.000) 2.294 15.326 ( 0.000 -0.645 0.000) 0.645 15.500 ( -0.000 1.526 0.000) 1.526 15.816 ( -0.000 0.679 0.000) 0.679 15.838 ( 0.000 -1.312 0.000) 1.312 15.989 ( 0.000 -5.291 0.000) 5.291 16.007 ( -0.000 2.106 0.000) 2.106 16.161 ( 0.000 -9.087 0.000) 9.087 16.431 ( -0.000 5.592 0.000) 5.592 17.220 ( 0.000 -3.167 0.000) 3.167 17.701 ( -0.000 2.637 0.000) 2.637 17.993 ( 0.000 -3.825 0.000) 3.825 18.256 ( -0.000 0.882 0.000) 0.882 19.892 ( -0.000 14.239 0.000) 14.239 21.781 ( 0.000 -25.407 0.000) 25.407 26.831 ( -0.000 0.167 0.000) 0.167 26.894 ( -0.000 0.414 0.000) 0.414 27.720 ( -0.000 1.001 0.000) 1.001 27.783 ( -0.000 1.124 0.000) 1.124 28.332 ( -0.000 3.694 0.000) 3.694 28.767 ( 0.000 -5.258 0.000) 5.258 28.823 ( -0.000 1.217 0.000) 1.217 29.039 ( -0.000 1.786 0.000) 1.786 30.329 ( 0.000 -0.972 0.000) 0.972 30.330 ( -0.000 0.286 0.000) 0.286 30.527 ( -0.000 6.289 0.000) 6.289 31.024 ( 0.000 -3.108 0.000) 3.108 31.664 ( -0.000 23.190 0.000) 23.190 32.346 ( 0.000 -6.587 0.000) 6.587 34.220 ( 0.000 -2.350 0.000) 2.350 35.453 ( 0.000 -19.234 0.000) 19.234 ======================= Grid point 20 (14/75) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.089 ( 15.168 0.000 0.000) 15.168 1.317 ( 18.185 0.000 0.000) 18.185 1.793 ( 10.787 0.000 0.000) 10.787 2.284 ( -14.222 -0.000 0.000) 14.222 2.668 ( 14.636 0.000 0.000) 14.636 2.887 ( 16.548 0.000 0.000) 16.548 2.924 ( 11.874 0.000 0.000) 11.874 2.947 ( -3.047 -0.000 0.000) 3.047 3.199 ( -0.505 -0.000 0.000) 0.505 3.225 ( 25.769 0.000 0.000) 25.769 3.421 ( -1.057 -0.000 0.000) 1.057 3.452 ( 0.743 0.000 0.000) 0.743 3.855 ( -1.644 -0.000 0.000) 1.644 4.050 ( 8.940 0.000 0.000) 8.940 4.087 ( -9.340 -0.000 0.000) 9.340 4.203 ( 1.577 0.000 0.000) 1.577 4.209 ( 15.890 0.000 0.000) 15.890 4.379 ( -0.523 -0.000 0.000) 0.523 4.456 ( 6.630 0.000 0.000) 6.630 4.485 ( -18.216 -0.000 0.000) 18.216 4.561 ( 5.834 0.000 0.000) 5.834 4.640 ( 1.128 0.000 0.000) 1.128 4.798 ( 4.330 0.000 0.000) 4.330 5.031 ( 2.086 0.000 0.000) 2.086 5.075 ( -7.144 -0.000 0.000) 7.144 5.655 ( 2.018 0.000 0.000) 2.018 5.716 ( -0.060 -0.000 0.000) 0.060 6.010 ( -4.603 -0.000 0.000) 4.603 6.080 ( -3.684 -0.000 0.000) 3.684 6.195 ( 2.378 0.000 0.000) 2.378 6.197 ( 3.527 0.000 0.000) 3.527 6.252 ( 8.865 0.000 0.000) 8.865 6.645 ( -7.808 -0.000 0.000) 7.808 6.713 ( -1.186 -0.000 0.000) 1.186 7.095 ( -0.864 -0.000 0.000) 0.864 7.410 ( -1.306 -0.000 0.000) 1.306 7.895 ( 1.068 0.000 0.000) 1.068 8.003 ( -5.548 -0.000 0.000) 5.548 8.815 ( -1.344 -0.000 0.000) 1.344 8.834 ( -21.683 -0.000 0.000) 21.683 10.214 ( 2.124 0.000 0.000) 2.124 10.360 ( -5.833 -0.000 0.000) 5.833 10.745 ( -0.318 -0.000 0.000) 0.318 10.791 ( -7.391 -0.000 0.000) 7.391 12.292 ( 4.149 0.000 0.000) 4.149 12.300 ( 0.417 0.000 0.000) 0.417 12.378 ( 0.542 0.000 0.000) 0.542 12.511 ( 5.157 0.000 0.000) 5.157 15.524 ( 2.849 0.000 0.000) 2.849 15.586 ( -6.788 -0.000 0.000) 6.788 15.704 ( -3.436 -0.000 0.000) 3.436 15.834 ( 5.856 0.000 0.000) 5.856 16.010 ( 1.347 0.000 0.000) 1.347 16.090 ( -0.494 -0.000 0.000) 0.494 16.409 ( 1.597 0.000 0.000) 1.597 16.468 ( 3.792 0.000 0.000) 3.792 17.421 ( 3.591 0.000 0.000) 3.591 17.595 ( 8.711 0.000 0.000) 8.711 17.909 ( 8.050 0.000 0.000) 8.050 18.145 ( 1.912 0.000 0.000) 1.912 19.366 ( -3.846 -0.000 0.000) 3.846 19.532 ( -20.319 -0.000 0.000) 20.319 27.663 ( -11.135 -0.000 0.000) 11.135 27.696 ( 17.768 0.000 0.000) 17.768 27.866 ( -11.013 -0.000 0.000) 11.013 28.398 ( 10.881 0.000 0.000) 10.881 28.571 ( -10.927 -0.000 0.000) 10.927 28.684 ( -6.196 -0.000 0.000) 6.196 28.801 ( 4.714 0.000 0.000) 4.714 29.469 ( -16.666 -0.000 0.000) 16.666 30.427 ( 0.790 0.000 0.000) 0.790 30.658 ( 0.312 0.000 0.000) 0.312 30.679 ( 4.819 0.000 0.000) 4.819 30.681 ( 1.522 0.000 0.000) 1.522 31.422 ( 7.277 0.000 0.000) 7.277 32.388 ( 29.530 0.000 0.000) 29.530 32.927 ( 16.569 0.000 0.000) 16.569 34.053 ( -33.954 -0.000 0.000) 33.954 ======================= Grid point 21 (15/75) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 11.474 -19.510 0.000) 22.634 1.583 ( 13.069 -2.734 0.000) 13.352 1.941 ( 10.206 1.574 0.000) 10.327 2.051 ( -15.328 -0.520 0.000) 15.337 2.848 ( -6.552 3.654 0.000) 7.502 2.862 ( 7.079 -4.373 0.000) 8.321 3.061 ( 3.994 1.197 0.000) 4.169 3.092 ( 10.176 -0.493 0.000) 10.188 3.218 ( -1.874 -2.799 0.000) 3.368 3.315 ( -16.154 3.109 0.000) 16.451 3.332 ( -3.395 5.701 0.000) 6.635 3.493 ( 9.160 1.230 0.000) 9.242 3.911 ( 9.781 3.384 0.000) 10.350 3.990 ( -3.467 -3.016 0.000) 4.595 4.146 ( 1.059 11.622 0.000) 11.670 4.163 ( -2.861 1.020 0.000) 3.037 4.238 ( -1.692 0.063 0.000) 1.693 4.415 ( 0.380 -3.920 0.000) 3.938 4.442 ( 12.288 0.841 0.000) 12.317 4.534 ( 5.186 2.164 0.000) 5.620 4.619 ( 6.360 -1.410 0.000) 6.514 4.804 ( -0.607 -13.818 0.000) 13.832 4.908 ( -9.579 4.698 0.000) 10.669 4.910 ( 8.047 -6.663 0.000) 10.447 5.004 ( -5.243 1.104 0.000) 5.358 5.600 ( -2.048 15.363 0.000) 15.499 5.641 ( 0.937 6.816 0.000) 6.880 5.856 ( -4.620 7.262 0.000) 8.607 6.087 ( -0.032 -1.876 0.000) 1.876 6.192 ( -6.237 -2.698 0.000) 6.796 6.213 ( 1.811 4.901 0.000) 5.225 6.411 ( 5.742 -6.586 0.000) 8.737 6.555 ( -6.403 -4.228 0.000) 7.673 6.701 ( -1.522 -2.151 0.000) 2.635 7.093 ( -2.189 -3.627 0.000) 4.236 7.393 ( -0.666 0.305 0.000) 0.732 7.883 ( -2.686 -0.203 0.000) 2.693 7.892 ( -8.448 -0.261 0.000) 8.452 8.484 ( -20.347 2.113 0.000) 20.456 8.713 ( -8.581 2.657 0.000) 8.983 10.256 ( 1.819 -1.695 0.000) 2.486 10.267 ( -6.241 -0.318 0.000) 6.249 10.680 ( -6.884 -0.283 0.000) 6.889 10.743 ( 0.540 0.074 0.000) 0.545 12.293 ( 0.273 0.770 0.000) 0.817 12.389 ( -0.149 -0.838 0.000) 0.851 12.390 ( 3.604 -4.573 0.000) 5.822 12.591 ( 5.671 0.854 0.000) 5.734 15.487 ( -6.334 -0.533 0.000) 6.356 15.579 ( 3.754 -0.589 0.000) 3.800 15.652 ( -3.101 0.084 0.000) 3.102 15.924 ( 6.311 0.828 0.000) 6.365 16.026 ( 1.574 1.372 0.000) 2.088 16.068 ( -0.853 1.471 0.000) 1.700 16.393 ( 1.655 6.037 0.000) 6.259 16.516 ( 4.275 1.739 0.000) 4.615 17.438 ( 2.193 5.134 0.000) 5.583 17.677 ( 9.592 8.509 0.000) 12.823 18.029 ( 7.233 1.434 0.000) 7.373 18.129 ( -0.622 6.123 0.000) 6.154 19.393 ( -11.845 -18.257 0.000) 21.763 19.430 ( 0.410 -14.904 0.000) 14.910 27.479 ( -12.896 -0.687 0.000) 12.914 27.663 ( -15.213 -1.592 0.000) 15.297 27.950 ( 13.276 -0.280 0.000) 13.279 28.399 ( -11.452 -0.047 0.000) 11.452 28.564 ( 0.387 0.238 0.000) 0.455 28.583 ( 2.592 -1.098 0.000) 2.815 28.844 ( 2.437 1.530 0.000) 2.878 29.132 ( -12.434 12.722 0.000) 17.789 30.430 ( 0.154 0.587 0.000) 0.607 30.536 ( 2.548 9.774 0.000) 10.101 30.756 ( 3.389 -1.965 0.000) 3.918 30.842 ( -2.769 -11.309 0.000) 11.643 31.580 ( 4.857 -8.778 0.000) 10.032 32.902 ( 27.783 -9.521 0.000) 29.369 33.177 ( 18.677 4.820 0.000) 19.289 33.557 ( -26.383 2.980 0.000) 26.550 ======================= Grid point 22 (16/75) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -6.348 -1.335 0.000) 6.487 1.751 ( 5.639 -1.398 0.000) 5.809 1.952 ( -0.539 -17.100 0.000) 17.109 2.110 ( 9.597 -4.237 0.000) 10.491 2.662 ( -13.498 2.296 0.000) 13.692 2.828 ( -32.578 5.424 0.000) 33.026 2.954 ( -2.334 -2.463 0.000) 3.393 2.964 ( -5.269 8.965 0.000) 10.399 3.195 ( -8.273 0.981 0.000) 8.331 3.205 ( 1.252 5.587 0.000) 5.726 3.332 ( 9.376 -8.974 0.000) 12.979 3.566 ( 5.452 3.711 0.000) 6.595 3.910 ( -4.805 7.540 0.000) 8.941 3.977 ( -1.751 5.850 0.000) 6.106 4.041 ( -4.629 -0.232 0.000) 4.635 4.071 ( 3.107 -1.426 0.000) 3.419 4.350 ( 8.125 1.785 0.000) 8.319 4.478 ( 2.223 -0.926 0.000) 2.408 4.515 ( -2.708 -2.155 0.000) 3.461 4.609 ( 8.985 3.186 0.000) 9.533 4.736 ( 3.677 0.289 0.000) 3.689 4.748 ( -1.490 2.810 0.000) 3.181 4.859 ( -9.042 2.096 0.000) 9.282 4.895 ( 1.401 0.045 0.000) 1.402 5.170 ( 6.580 -12.707 0.000) 14.310 5.359 ( 0.770 16.283 0.000) 16.301 5.519 ( -0.024 14.481 0.000) 14.481 5.681 ( -6.710 7.561 0.000) 10.109 6.059 ( -8.341 2.548 0.000) 8.722 6.130 ( -3.208 6.866 0.000) 7.578 6.157 ( -0.481 -7.451 0.000) 7.466 6.543 ( -2.961 -5.781 0.000) 6.495 6.543 ( 1.053 -4.601 0.000) 4.720 6.756 ( 2.285 -7.555 0.000) 7.893 7.119 ( -2.239 -6.728 0.000) 7.090 7.384 ( 0.576 0.896 0.000) 1.065 7.764 ( -9.250 -1.799 0.000) 9.423 7.825 ( -5.886 -1.655 0.000) 6.114 8.178 ( -17.375 0.172 0.000) 17.376 8.519 ( -12.477 1.389 0.000) 12.554 10.182 ( -5.575 -0.956 0.000) 5.656 10.307 ( 1.499 -2.443 0.000) 2.866 10.595 ( -5.265 -1.354 0.000) 5.436 10.766 ( 1.532 -1.382 0.000) 2.063 12.286 ( -0.654 -0.075 0.000) 0.658 12.385 ( -1.079 0.048 0.000) 1.080 12.508 ( 3.443 -5.496 0.000) 6.485 12.660 ( 5.344 1.988 0.000) 5.702 15.405 ( -5.292 -0.847 0.000) 5.360 15.611 ( -1.755 0.418 0.000) 1.804 15.650 ( 4.205 -0.770 0.000) 4.275 16.004 ( 5.609 1.846 0.000) 5.905 16.021 ( 0.990 2.900 0.000) 3.064 16.035 ( -0.996 1.291 0.000) 1.631 16.324 ( 1.102 8.977 0.000) 9.044 16.562 ( 4.771 2.480 0.000) 5.377 17.375 ( 1.113 8.849 0.000) 8.918 17.717 ( 10.947 10.406 0.000) 15.104 17.998 ( -4.034 7.494 0.000) 8.511 18.094 ( 4.365 1.881 0.000) 4.753 19.548 ( -3.651 -24.143 0.000) 24.417 19.710 ( 5.626 -22.438 0.000) 23.133 27.288 ( -12.929 -0.933 0.000) 12.963 27.436 ( -18.459 -4.216 0.000) 18.935 28.078 ( 2.580 1.662 0.000) 3.069 28.216 ( -11.275 1.111 0.000) 11.330 28.480 ( -2.942 -1.290 0.000) 3.213 28.744 ( 9.200 -1.295 0.000) 9.291 28.835 ( -7.553 10.576 0.000) 12.996 28.851 ( 0.928 1.231 0.000) 1.542 30.420 ( -0.176 0.918 0.000) 0.935 30.474 ( 1.665 6.535 0.000) 6.744 30.827 ( 1.882 -3.030 0.000) 3.567 30.885 ( -2.390 -3.384 0.000) 4.143 31.754 ( 1.500 -11.468 0.000) 11.566 33.092 ( -15.700 9.713 0.000) 18.462 33.446 ( 24.024 -14.079 0.000) 27.846 33.473 ( 17.969 3.450 0.000) 18.298 ======================= Grid point 23 (17/75) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -12.644 8.614 0.000) 15.300 1.834 ( 2.450 -3.551 0.000) 4.314 2.060 ( -40.492 0.966 0.000) 40.503 2.123 ( 2.436 0.746 0.000) 2.547 2.312 ( -25.866 5.462 0.000) 26.436 2.422 ( 3.326 -4.016 0.000) 5.215 2.809 ( -4.015 5.463 0.000) 6.780 2.873 ( -7.804 1.637 0.000) 7.974 3.106 ( -0.618 11.381 0.000) 11.398 3.157 ( -2.190 -14.257 0.000) 14.424 3.562 ( -7.719 1.981 0.000) 7.969 3.590 ( 10.327 -5.454 0.000) 11.679 3.680 ( -3.374 9.856 0.000) 10.418 3.892 ( -1.867 1.447 0.000) 2.362 3.958 ( -5.481 0.341 0.000) 5.492 4.173 ( 3.276 -3.035 0.000) 4.466 4.345 ( -0.646 6.521 0.000) 6.553 4.452 ( -7.013 6.917 0.000) 9.850 4.522 ( 3.815 3.301 0.000) 5.045 4.574 ( -7.098 10.178 0.000) 12.408 4.655 ( -4.689 4.048 0.000) 6.195 4.689 ( 4.273 1.182 0.000) 4.434 4.883 ( 8.411 -3.014 0.000) 8.935 4.938 ( 9.885 3.106 0.000) 10.361 5.299 ( -0.570 19.552 0.000) 19.561 5.308 ( 5.337 0.326 0.000) 5.347 5.404 ( 1.482 -10.196 0.000) 10.304 5.496 ( -5.683 6.472 0.000) 8.613 5.855 ( -14.736 0.369 0.000) 14.741 5.967 ( -6.599 6.402 0.000) 9.194 6.260 ( 3.735 -3.458 0.000) 5.090 6.574 ( -1.545 -5.463 0.000) 5.677 6.593 ( 0.214 -3.233 0.000) 3.240 6.927 ( 4.961 -9.629 0.000) 10.832 7.195 ( -0.594 -9.928 0.000) 9.946 7.398 ( 3.455 1.402 0.000) 3.729 7.659 ( -8.572 -3.904 0.000) 9.419 7.761 ( -6.501 -4.573 0.000) 7.949 7.944 ( -14.185 -1.880 0.000) 14.309 8.312 ( -14.399 -1.730 0.000) 14.503 10.120 ( -4.243 -1.337 0.000) 4.448 10.360 ( 1.216 -2.884 0.000) 3.130 10.554 ( -3.079 -2.691 0.000) 4.089 10.823 ( 2.039 -3.176 0.000) 3.774 12.277 ( -1.029 -0.778 0.000) 1.290 12.355 ( -1.529 1.498 0.000) 2.140 12.618 ( 2.725 -4.448 0.000) 5.217 12.706 ( 4.397 2.939 0.000) 5.289 15.345 ( -3.798 -0.940 0.000) 3.913 15.587 ( -0.422 0.929 0.000) 1.020 15.724 ( 4.379 -0.481 0.000) 4.405 15.982 ( -2.449 1.883 0.000) 3.089 15.987 ( -0.047 3.620 0.000) 3.620 16.068 ( 4.757 2.432 0.000) 5.342 16.217 ( -0.077 9.733 0.000) 9.733 16.599 ( 4.571 3.674 0.000) 5.864 17.280 ( 0.678 8.461 0.000) 8.488 17.778 ( 11.297 7.922 0.000) 13.798 17.862 ( -4.253 3.775 0.000) 5.687 18.135 ( 2.422 -0.481 0.000) 2.469 19.800 ( 0.915 -19.658 0.000) 19.679 20.118 ( 9.908 -25.004 0.000) 26.895 27.109 ( -11.090 -0.501 0.000) 11.101 27.198 ( -19.313 -4.950 0.000) 19.937 27.992 ( -8.474 1.943 0.000) 8.694 28.034 ( -9.208 2.237 0.000) 9.476 28.522 ( 4.203 -1.677 0.000) 4.525 28.640 ( -4.265 7.232 0.000) 8.396 28.849 ( 0.142 0.464 0.000) 0.485 28.887 ( 6.684 -2.007 0.000) 6.979 30.403 ( -0.285 1.374 0.000) 1.403 30.424 ( 0.760 4.951 0.000) 5.009 30.861 ( -1.547 1.946 0.000) 2.486 30.885 ( 0.700 -3.261 0.000) 3.335 31.897 ( -0.618 -11.436 0.000) 11.452 32.755 ( -10.478 12.233 0.000) 16.107 33.729 ( 20.355 4.181 0.000) 20.780 33.979 ( 19.283 -18.731 0.000) 26.882 ======================= Grid point 24 (18/75) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -9.541 18.375 0.000) 20.705 1.286 ( -46.516 6.410 0.000) 46.955 1.767 ( -27.242 7.791 0.000) 28.334 1.929 ( 1.103 -6.754 0.000) 6.843 2.087 ( 4.174 15.481 0.000) 16.034 2.599 ( 5.389 -7.527 0.000) 9.257 2.664 ( -3.625 7.961 0.000) 8.748 2.710 ( -6.081 6.276 0.000) 8.739 2.943 ( -2.078 10.312 0.000) 10.520 3.264 ( -13.684 7.471 0.000) 15.591 3.432 ( 2.560 -24.063 0.000) 24.199 3.656 ( 4.574 4.168 0.000) 6.188 3.688 ( 0.986 13.885 0.000) 13.920 3.812 ( 0.030 11.604 0.000) 11.604 3.887 ( -5.985 -3.322 0.000) 6.845 4.118 ( 1.268 8.526 0.000) 8.620 4.234 ( -4.492 -0.971 0.000) 4.596 4.240 ( -0.830 8.197 0.000) 8.239 4.443 ( -2.823 6.478 0.000) 7.066 4.604 ( -0.646 -15.155 0.000) 15.169 4.624 ( 2.107 2.298 0.000) 3.118 4.711 ( 0.242 0.716 0.000) 0.756 4.915 ( 0.129 13.559 0.000) 13.560 5.084 ( 9.551 -0.804 0.000) 9.585 5.189 ( 8.623 5.850 0.000) 10.420 5.357 ( -2.209 5.478 0.000) 5.907 5.363 ( -1.188 -2.307 0.000) 2.595 5.480 ( -0.601 -1.453 0.000) 1.572 5.622 ( -14.720 -1.414 0.000) 14.788 5.818 ( -4.329 2.094 0.000) 4.809 6.319 ( 2.349 2.371 0.000) 3.337 6.628 ( 0.030 -5.346 0.000) 5.346 6.644 ( 0.375 -4.507 0.000) 4.523 7.107 ( 3.933 -7.850 0.000) 8.780 7.349 ( 3.660 -12.101 0.000) 12.643 7.472 ( 8.463 0.878 0.000) 8.508 7.597 ( -7.774 -6.825 0.000) 10.345 7.747 ( -4.442 -7.162 0.000) 8.428 7.785 ( -9.528 -2.315 0.000) 9.805 8.115 ( -15.030 -3.064 0.000) 15.339 10.084 ( -2.420 -1.388 0.000) 2.790 10.413 ( 0.789 -3.239 0.000) 3.334 10.561 ( -1.135 -3.621 0.000) 3.795 10.898 ( 1.567 -4.297 0.000) 4.574 12.276 ( -0.771 -1.381 0.000) 1.582 12.307 ( -1.134 2.760 0.000) 2.984 12.687 ( 1.523 -1.115 0.000) 1.888 12.724 ( 2.736 3.379 0.000) 4.348 15.311 ( -2.006 -0.935 0.000) 2.213 15.569 ( -0.025 1.632 0.000) 1.633 15.792 ( 4.034 0.354 0.000) 4.049 15.910 ( -3.150 2.591 0.000) 4.079 15.942 ( -0.536 2.736 0.000) 2.788 16.089 ( 1.682 3.727 0.000) 4.089 16.109 ( 0.072 6.122 0.000) 6.123 16.608 ( 3.131 4.851 0.000) 5.774 17.207 ( 0.371 4.722 0.000) 4.736 17.780 ( -2.408 1.466 0.000) 2.819 17.868 ( 8.592 3.377 0.000) 9.232 18.183 ( 1.323 -2.559 0.000) 2.881 20.014 ( 1.995 -10.956 0.000) 11.136 20.602 ( 10.729 -28.150 0.000) 30.125 26.969 ( -15.760 -2.928 0.000) 16.029 26.969 ( -6.806 0.256 0.000) 6.811 27.836 ( -7.374 1.736 0.000) 7.576 27.892 ( -5.136 2.484 0.000) 5.706 28.518 ( -1.830 5.502 0.000) 5.799 28.607 ( 3.150 -2.155 0.000) 3.817 28.846 ( -0.069 0.066 0.000) 0.096 28.994 ( 3.675 -2.138 0.000) 4.252 30.378 ( 0.095 3.717 0.000) 3.718 30.379 ( -0.287 1.756 0.000) 1.780 30.794 ( -0.908 5.799 0.000) 5.869 30.928 ( 0.034 -2.953 0.000) 2.953 32.016 ( -1.156 -10.942 0.000) 11.003 32.469 ( -4.833 16.167 0.000) 16.874 33.988 ( 16.509 1.112 0.000) 16.547 34.480 ( 11.886 -23.667 0.000) 26.484 ======================= Grid point 25 (19/75) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.705 ( -0.000 11.471 0.000) 11.471 0.789 ( -0.000 24.514 0.000) 24.514 1.409 ( -0.000 10.672 0.000) 10.672 1.915 ( -0.000 17.975 0.000) 17.975 1.974 ( -0.000 4.364 0.000) 4.364 2.526 ( -0.000 9.620 0.000) 9.620 2.539 ( -0.000 13.337 0.000) 13.337 2.755 ( 0.000 -10.208 0.000) 10.208 2.834 ( -0.000 4.213 0.000) 4.213 3.065 ( -0.000 6.626 0.000) 6.626 3.309 ( -0.000 29.874 0.000) 29.874 3.629 ( 0.000 -2.955 0.000) 2.955 3.756 ( 0.000 -10.009 0.000) 10.009 3.794 ( 0.000 -1.210 0.000) 1.210 3.852 ( 0.000 -2.227 0.000) 2.227 4.050 ( -0.000 8.945 0.000) 8.945 4.135 ( -0.000 7.540 0.000) 7.540 4.282 ( 0.000 -11.073 0.000) 11.073 4.340 ( -0.000 6.273 0.000) 6.273 4.612 ( -0.000 2.510 0.000) 2.510 4.695 ( -0.000 1.004 0.000) 1.004 4.774 ( -0.000 5.474 0.000) 5.474 4.795 ( 0.000 -13.625 0.000) 13.625 5.147 ( -0.000 12.766 0.000) 12.766 5.187 ( 0.000 -0.553 0.000) 0.553 5.317 ( -0.000 3.373 0.000) 3.373 5.349 ( 0.000 -2.386 0.000) 2.386 5.465 ( -0.000 2.115 0.000) 2.115 5.544 ( 0.000 -8.043 0.000) 8.043 5.799 ( 0.000 -3.449 0.000) 3.449 6.281 ( -0.000 6.059 0.000) 6.059 6.689 ( 0.000 -4.081 0.000) 4.081 6.707 ( 0.000 -5.236 0.000) 5.236 7.216 ( 0.000 -4.525 0.000) 4.525 7.536 ( 0.000 -2.708 0.000) 2.708 7.603 ( 0.000 -2.345 0.000) 2.345 7.643 ( 0.000 -20.369 0.000) 20.369 7.714 ( -0.000 0.020 0.000) 0.020 7.793 ( 0.000 -7.349 0.000) 7.349 7.965 ( -0.000 0.266 0.000) 0.266 10.081 ( 0.000 -1.355 0.000) 1.355 10.459 ( 0.000 -3.247 0.000) 3.247 10.598 ( 0.000 -3.681 0.000) 3.681 10.964 ( 0.000 -4.335 0.000) 4.335 12.260 ( -0.000 3.479 0.000) 3.479 12.289 ( 0.000 -1.765 0.000) 1.765 12.683 ( -0.000 3.933 0.000) 3.933 12.706 ( -0.000 3.309 0.000) 3.309 15.306 ( 0.000 -0.892 0.000) 0.892 15.545 ( -0.000 2.070 0.000) 2.070 15.835 ( 0.000 1.233 0.000) 1.233 15.836 ( 0.000 1.559 0.000) 1.559 15.918 ( -0.000 0.064 0.000) 0.064 16.046 ( -0.000 0.721 0.000) 0.721 16.076 ( -0.000 3.437 0.000) 3.437 16.572 ( -0.000 5.653 0.000) 5.653 17.179 ( -0.000 0.662 0.000) 0.662 17.747 ( -0.000 1.224 0.000) 1.224 17.930 ( 0.000 -0.746 0.000) 0.746 18.228 ( 0.000 -2.765 0.000) 2.765 20.100 ( 0.000 -0.213 0.000) 0.213 21.071 ( 0.000 -31.467 0.000) 31.467 26.836 ( -0.000 0.227 0.000) 0.227 26.907 ( -0.000 0.628 0.000) 0.628 27.753 ( -0.000 1.724 0.000) 1.724 27.824 ( -0.000 2.191 0.000) 2.191 28.443 ( -0.000 5.082 0.000) 5.082 28.663 ( 0.000 -3.143 0.000) 3.143 28.844 ( -0.000 0.319 0.000) 0.319 29.045 ( 0.000 -1.285 0.000) 1.285 30.342 ( -0.000 2.225 0.000) 2.225 30.355 ( -0.000 1.661 0.000) 1.661 30.703 ( -0.000 7.670 0.000) 7.670 30.960 ( 0.000 -2.613 0.000) 2.613 32.133 ( 0.000 -10.417 0.000) 10.417 32.212 ( -0.000 20.373 0.000) 20.373 34.154 ( 0.000 -2.828 0.000) 2.828 34.881 ( 0.000 -26.077 0.000) 26.077 ======================= Grid point 30 (20/75) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.480 ( 9.850 0.000 0.000) 9.850 1.744 ( 8.970 0.000 0.000) 8.970 1.815 ( -14.402 -0.000 0.000) 14.402 2.076 ( 5.104 0.000 0.000) 5.104 2.698 ( -15.710 -0.000 0.000) 15.710 2.886 ( 1.246 0.000 0.000) 1.246 2.940 ( -31.104 -0.000 0.000) 31.104 3.056 ( -4.768 -0.000 0.000) 4.768 3.126 ( -2.468 -0.000 0.000) 2.468 3.295 ( 8.277 0.000 0.000) 8.277 3.296 ( -5.422 -0.000 0.000) 5.422 3.632 ( 5.202 0.000 0.000) 5.202 3.962 ( -12.835 -0.000 0.000) 12.835 3.982 ( 3.535 0.000 0.000) 3.535 4.085 ( 7.072 0.000 0.000) 7.072 4.267 ( 2.064 0.000 0.000) 2.064 4.381 ( 10.600 0.000 0.000) 10.600 4.427 ( 3.910 0.000 0.000) 3.910 4.547 ( -6.342 -0.000 0.000) 6.342 4.605 ( -1.680 -0.000 0.000) 1.680 4.705 ( 14.052 0.000 0.000) 14.052 4.713 ( 6.562 0.000 0.000) 6.562 4.792 ( -6.655 -0.000 0.000) 6.655 4.883 ( -10.846 -0.000 0.000) 10.846 5.039 ( 11.718 0.000 0.000) 11.718 5.664 ( -2.102 -0.000 0.000) 2.102 5.700 ( 0.732 0.000 0.000) 0.732 5.869 ( -3.733 -0.000 0.000) 3.733 5.913 ( -7.980 -0.000 0.000) 7.980 6.192 ( -1.450 -0.000 0.000) 1.450 6.320 ( 4.144 0.000 0.000) 4.144 6.367 ( -2.447 -0.000 0.000) 2.447 6.424 ( -5.411 -0.000 0.000) 5.411 6.650 ( -2.477 -0.000 0.000) 2.477 7.029 ( -2.934 -0.000 0.000) 2.934 7.392 ( 0.504 0.000 0.000) 0.504 7.741 ( -10.126 -0.000 0.000) 10.126 7.807 ( -6.805 -0.000 0.000) 6.805 8.187 ( -18.535 -0.000 0.000) 18.535 8.542 ( -14.433 -0.000 0.000) 14.433 10.170 ( -5.704 -0.000 0.000) 5.704 10.273 ( 1.676 0.000 0.000) 1.676 10.577 ( -5.960 -0.000 0.000) 5.960 10.750 ( 0.550 0.000 0.000) 0.550 12.301 ( -0.328 -0.000 0.000) 0.328 12.383 ( -0.259 -0.000 0.000) 0.259 12.416 ( 3.485 0.000 0.000) 3.485 12.685 ( 5.505 0.000 0.000) 5.505 15.394 ( -5.178 -0.000 0.000) 5.178 15.616 ( -1.448 -0.000 0.000) 1.448 15.640 ( 4.496 0.000 0.000) 4.496 16.025 ( 6.173 0.000 0.000) 6.173 16.052 ( -2.117 -0.000 0.000) 2.117 16.064 ( 1.981 0.000 0.000) 1.981 16.443 ( 0.311 0.000 0.000) 0.311 16.582 ( 3.373 0.000 0.000) 3.373 17.504 ( 1.218 0.000 0.000) 1.218 17.856 ( 7.300 0.000 0.000) 7.300 18.179 ( 8.734 0.000 0.000) 8.734 18.206 ( 2.055 0.000 0.000) 2.055 19.106 ( -7.839 -0.000 0.000) 7.839 19.357 ( 3.300 0.000 0.000) 3.300 27.277 ( -12.479 -0.000 0.000) 12.479 27.387 ( -17.815 -0.000 0.000) 17.815 28.101 ( 3.353 0.000 0.000) 3.353 28.229 ( -10.549 -0.000 0.000) 10.549 28.467 ( -3.142 -0.000 0.000) 3.142 28.726 ( 8.754 0.000 0.000) 8.754 28.867 ( -0.019 -0.000 0.000) 0.019 28.978 ( -13.964 -0.000 0.000) 13.964 30.431 ( -0.228 -0.000 0.000) 0.228 30.664 ( 0.066 0.000 0.000) 0.066 30.719 ( 1.106 0.000 0.000) 1.106 30.789 ( 2.316 0.000 0.000) 2.316 31.623 ( 5.435 0.000 0.000) 5.435 33.212 ( -19.350 -0.000 0.000) 19.350 33.261 ( 24.985 0.000 0.000) 24.985 33.509 ( 19.433 0.000 0.000) 19.433 ======================= Grid point 31 (21/75) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -8.724 1.986 0.000) 8.948 1.744 ( 4.003 -18.700 0.000) 19.124 1.808 ( -3.259 0.688 0.000) 3.331 2.049 ( -15.111 -1.583 0.000) 15.193 2.372 ( -24.715 1.192 0.000) 24.744 2.464 ( -14.253 6.440 0.000) 15.640 2.865 ( -7.238 -1.236 0.000) 7.343 2.945 ( -6.644 2.655 0.000) 7.155 3.176 ( -3.286 7.504 0.000) 8.191 3.181 ( 1.205 -11.525 0.000) 11.587 3.373 ( 2.787 1.073 0.000) 2.986 3.615 ( -5.641 1.756 0.000) 5.908 3.806 ( -7.136 0.944 0.000) 7.198 4.060 ( 5.380 0.256 0.000) 5.386 4.072 ( -2.406 5.990 0.000) 6.455 4.175 ( 0.529 12.994 0.000) 13.004 4.433 ( -5.545 -1.064 0.000) 5.646 4.476 ( 4.582 3.801 0.000) 5.953 4.546 ( 6.618 -1.201 0.000) 6.726 4.651 ( -5.436 -9.580 0.000) 11.015 4.705 ( -10.283 0.079 0.000) 10.284 4.781 ( 6.212 4.420 0.000) 7.625 4.804 ( 8.311 -2.018 0.000) 8.553 4.944 ( 11.495 -3.520 0.000) 12.022 5.246 ( 11.707 -2.736 0.000) 12.023 5.549 ( -1.140 13.268 0.000) 13.317 5.645 ( -1.583 7.804 0.000) 7.963 5.716 ( -3.391 9.061 0.000) 9.674 5.844 ( -11.577 -2.487 0.000) 11.841 6.161 ( -6.262 11.313 0.000) 12.930 6.165 ( 1.427 -0.756 0.000) 1.615 6.412 ( -2.752 -7.082 0.000) 7.597 6.496 ( 1.661 -8.440 0.000) 8.602 6.660 ( -0.899 -8.260 0.000) 8.309 7.013 ( -2.268 -4.220 0.000) 4.791 7.414 ( 2.578 0.197 0.000) 2.585 7.597 ( -9.181 -1.277 0.000) 9.269 7.691 ( -8.439 -1.368 0.000) 8.549 7.934 ( -13.796 0.130 0.000) 13.797 8.302 ( -15.674 0.151 0.000) 15.675 10.097 ( -4.055 -0.498 0.000) 4.085 10.305 ( 1.257 -1.372 0.000) 1.860 10.505 ( -4.086 -1.177 0.000) 4.252 10.767 ( 0.794 -1.255 0.000) 1.485 12.285 ( -0.496 1.133 0.000) 1.237 12.375 ( -0.638 0.318 0.000) 0.713 12.491 ( 2.471 -4.367 0.000) 5.018 12.755 ( 4.268 1.062 0.000) 4.398 15.328 ( -3.653 -0.399 0.000) 3.674 15.605 ( 0.175 0.466 0.000) 0.498 15.715 ( 4.995 -0.223 0.000) 4.999 16.008 ( -3.113 0.525 0.000) 3.157 16.076 ( 1.417 2.693 0.000) 3.043 16.110 ( 5.389 0.956 0.000) 5.473 16.412 ( -0.559 4.584 0.000) 4.618 16.631 ( 2.834 -0.185 0.000) 2.840 17.482 ( 0.253 4.748 0.000) 4.755 17.938 ( 6.049 2.629 0.000) 6.596 18.107 ( -0.422 16.250 0.000) 16.255 18.242 ( 6.283 8.542 0.000) 10.604 19.200 ( -2.024 -24.707 0.000) 24.790 19.545 ( 5.843 -18.018 0.000) 18.941 27.101 ( -10.170 -0.157 0.000) 10.171 27.129 ( -16.211 -1.232 0.000) 16.258 28.030 ( -9.086 0.949 0.000) 9.135 28.074 ( -8.659 0.909 0.000) 8.707 28.500 ( 5.092 -0.346 0.000) 5.104 28.771 ( -9.251 3.110 0.000) 9.759 28.845 ( 5.878 -1.117 0.000) 5.983 28.857 ( -0.844 0.194 0.000) 0.866 30.426 ( -0.007 0.514 0.000) 0.514 30.588 ( 0.940 8.102 0.000) 8.156 30.802 ( -0.323 -6.403 0.000) 6.411 30.826 ( 1.333 -1.402 0.000) 1.934 31.715 ( 3.442 -3.413 0.000) 4.847 32.951 ( -11.322 4.077 0.000) 12.033 33.647 ( 18.523 -7.647 0.000) 20.040 33.783 ( 16.554 0.898 0.000) 16.579 ======================= Grid point 32 (22/75) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -39.988 2.113 0.000) 40.043 1.424 ( -5.969 6.121 0.000) 8.549 1.881 ( 0.599 4.624 0.000) 4.663 1.890 ( -19.601 0.537 0.000) 19.608 2.120 ( -0.317 -15.976 0.000) 15.979 2.439 ( 3.546 -4.173 0.000) 5.476 2.740 ( -8.329 -0.853 0.000) 8.372 2.812 ( -4.413 4.259 0.000) 6.133 3.071 ( 0.152 2.938 0.000) 2.942 3.235 ( 0.431 9.300 0.000) 9.310 3.423 ( -11.673 4.992 0.000) 12.695 3.500 ( 1.039 -20.106 0.000) 20.133 3.749 ( 0.863 0.487 0.000) 0.991 3.936 ( -3.169 8.316 0.000) 8.899 4.007 ( 2.662 12.807 0.000) 13.080 4.196 ( 4.714 -3.766 0.000) 6.034 4.362 ( -5.587 -1.163 0.000) 5.706 4.445 ( 1.378 7.663 0.000) 7.786 4.540 ( -5.077 1.331 0.000) 5.249 4.614 ( -4.520 5.492 0.000) 7.113 4.662 ( 2.945 0.608 0.000) 3.007 4.792 ( 2.917 5.451 0.000) 6.183 5.030 ( 13.620 -2.968 0.000) 13.940 5.113 ( 8.071 0.729 0.000) 8.104 5.367 ( -0.555 10.237 0.000) 10.252 5.432 ( 6.612 -1.698 0.000) 6.827 5.506 ( -3.008 12.652 0.000) 13.005 5.515 ( -3.454 10.988 0.000) 11.518 5.643 ( -11.390 3.248 0.000) 11.844 5.930 ( -7.489 7.278 0.000) 10.443 6.255 ( 2.547 -6.380 0.000) 6.869 6.477 ( -0.914 -7.567 0.000) 7.622 6.563 ( 0.390 -2.544 0.000) 2.573 6.826 ( 1.617 -15.019 0.000) 15.106 7.064 ( -0.919 -8.615 0.000) 8.664 7.472 ( 4.813 -0.361 0.000) 4.827 7.498 ( -6.111 -2.291 0.000) 6.526 7.607 ( -5.788 -3.960 0.000) 7.012 7.767 ( -7.483 -0.142 0.000) 7.485 8.080 ( -12.431 -0.447 0.000) 12.439 10.057 ( -2.124 -0.791 0.000) 2.266 10.342 ( 0.671 -2.341 0.000) 2.436 10.482 ( -1.860 -2.644 0.000) 3.233 10.805 ( 0.762 -3.017 0.000) 3.112 12.266 ( -0.453 0.679 0.000) 0.816 12.355 ( -0.638 1.249 0.000) 1.403 12.585 ( 1.330 -5.840 0.000) 5.990 12.789 ( 2.385 1.927 0.000) 3.066 15.291 ( -1.913 -0.652 0.000) 2.020 15.604 ( 0.613 1.107 0.000) 1.266 15.795 ( 5.048 0.018 0.000) 5.048 15.945 ( -4.055 0.685 0.000) 4.112 16.044 ( 0.408 4.772 0.000) 4.789 16.162 ( 3.516 2.232 0.000) 4.164 16.322 ( -0.997 8.159 0.000) 8.220 16.669 ( 1.908 0.229 0.000) 1.922 17.407 ( 0.538 8.667 0.000) 8.684 17.902 ( -1.675 12.319 0.000) 12.432 17.987 ( 4.774 3.308 0.000) 5.808 18.206 ( 2.785 7.486 0.000) 7.987 19.522 ( 0.505 -27.687 0.000) 27.692 19.915 ( 5.245 -27.168 0.000) 27.670 26.929 ( -10.733 -0.802 0.000) 10.763 26.974 ( -5.955 0.180 0.000) 5.958 27.877 ( -7.431 1.383 0.000) 7.559 27.949 ( -5.011 1.933 0.000) 5.371 28.577 ( 3.502 -0.529 0.000) 3.542 28.629 ( -4.137 3.411 0.000) 5.362 28.844 ( -0.602 -0.122 0.000) 0.614 28.935 ( 3.043 -2.300 0.000) 3.815 30.417 ( 0.068 1.225 0.000) 1.227 30.509 ( 0.589 6.979 0.000) 7.004 30.847 ( -0.383 -2.066 0.000) 2.101 30.862 ( 0.525 -2.229 0.000) 2.290 31.805 ( 1.148 -5.709 0.000) 5.823 32.756 ( -4.945 7.855 0.000) 9.282 33.992 ( 10.657 -0.220 0.000) 10.660 34.005 ( 10.187 -14.583 0.000) 17.789 ======================= Grid point 33 (23/75) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.936 ( -0.000 7.706 0.000) 7.706 1.262 ( -0.000 12.874 0.000) 12.874 1.630 ( -0.000 7.389 0.000) 7.389 1.875 ( 0.000 -2.546 0.000) 2.546 2.248 ( -0.000 2.227 0.000) 2.227 2.549 ( 0.000 -7.754 0.000) 7.754 2.676 ( 0.000 -0.049 0.000) 0.049 2.719 ( -0.000 5.734 0.000) 5.734 3.085 ( -0.000 13.802 0.000) 13.802 3.166 ( 0.000 -18.381 0.000) 18.381 3.238 ( -0.000 7.391 0.000) 7.391 3.741 ( 0.000 -13.364 0.000) 13.364 3.789 ( -0.000 8.852 0.000) 8.852 3.791 ( 0.000 -2.652 0.000) 2.652 3.901 ( -0.000 8.443 0.000) 8.443 4.240 ( -0.000 5.524 0.000) 5.524 4.312 ( -0.000 13.494 0.000) 13.494 4.350 ( -0.000 9.569 0.000) 9.569 4.441 ( 0.000 -1.912 0.000) 1.912 4.471 ( -0.000 3.180 0.000) 3.180 4.670 ( -0.000 2.009 0.000) 2.009 4.750 ( -0.000 4.360 0.000) 4.360 5.118 ( -0.000 14.726 0.000) 14.726 5.187 ( -0.000 0.163 0.000) 0.163 5.293 ( 0.000 -0.585 0.000) 0.585 5.391 ( -0.000 2.507 0.000) 2.507 5.392 ( 0.000 -0.860 0.000) 0.860 5.437 ( -0.000 11.285 0.000) 11.285 5.493 ( -0.000 0.184 0.000) 0.184 5.804 ( -0.000 3.241 0.000) 3.241 6.341 ( 0.000 -2.894 0.000) 2.894 6.555 ( 0.000 -6.548 0.000) 6.548 6.600 ( 0.000 -3.299 0.000) 3.299 7.011 ( 0.000 -12.451 0.000) 12.451 7.198 ( 0.000 -14.649 0.000) 14.649 7.473 ( 0.000 -2.369 0.000) 2.369 7.548 ( 0.000 -2.042 0.000) 2.042 7.617 ( 0.000 -6.312 0.000) 6.312 7.712 ( 0.000 -0.214 0.000) 0.214 7.969 ( -0.000 0.062 0.000) 0.062 10.051 ( 0.000 -1.036 0.000) 1.036 10.380 ( 0.000 -3.031 0.000) 3.031 10.507 ( 0.000 -3.619 0.000) 3.619 10.857 ( 0.000 -4.213 0.000) 4.213 12.260 ( 0.000 -0.353 0.000) 0.353 12.329 ( -0.000 2.153 0.000) 2.153 12.661 ( 0.000 -4.712 0.000) 4.712 12.781 ( -0.000 2.629 0.000) 2.629 15.285 ( 0.000 -0.814 0.000) 0.814 15.592 ( -0.000 1.674 0.000) 1.674 15.856 ( -0.000 0.743 0.000) 0.743 15.879 ( -0.000 0.833 0.000) 0.833 15.986 ( -0.000 4.822 0.000) 4.822 16.159 ( -0.000 3.129 0.000) 3.129 16.200 ( -0.000 9.894 0.000) 9.894 16.673 ( -0.000 2.143 0.000) 2.143 17.298 ( -0.000 9.293 0.000) 9.293 17.790 ( -0.000 4.244 0.000) 4.244 17.984 ( -0.000 4.558 0.000) 4.558 18.176 ( -0.000 0.501 0.000) 0.501 19.830 ( 0.000 -21.525 0.000) 21.525 20.315 ( 0.000 -30.898 0.000) 30.898 26.841 ( -0.000 0.167 0.000) 0.167 26.922 ( -0.000 0.525 0.000) 0.525 27.797 ( -0.000 1.716 0.000) 1.716 27.882 ( -0.000 2.451 0.000) 2.451 28.555 ( -0.000 3.953 0.000) 3.953 28.614 ( 0.000 -1.091 0.000) 1.091 28.842 ( 0.000 -0.271 0.000) 0.271 28.990 ( 0.000 -2.798 0.000) 2.798 30.399 ( -0.000 1.751 0.000) 1.751 30.438 ( -0.000 5.668 0.000) 5.668 30.841 ( -0.000 2.525 0.000) 2.525 30.895 ( 0.000 -2.642 0.000) 2.642 31.895 ( 0.000 -8.251 0.000) 8.251 32.601 ( -0.000 11.911 0.000) 11.911 34.096 ( 0.000 -1.896 0.000) 1.896 34.300 ( 0.000 -20.649 0.000) 20.649 ======================= Grid point 40 (24/75) ======================= q-point: ( 0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.414 ( -34.831 -0.000 0.000) 34.831 1.492 ( -5.429 -0.000 0.000) 5.429 1.691 ( 4.239 0.000 0.000) 4.239 1.979 ( 1.091 0.000 0.000) 1.091 1.997 ( -22.041 -0.000 0.000) 22.041 2.437 ( 0.129 0.000 0.000) 0.129 2.724 ( -8.548 -0.000 0.000) 8.548 2.859 ( -5.560 -0.000 0.000) 5.560 3.112 ( 1.992 0.000 0.000) 1.992 3.192 ( -1.301 -0.000 0.000) 1.301 3.395 ( -1.210 -0.000 0.000) 1.210 3.484 ( -9.353 -0.000 0.000) 9.353 3.743 ( -2.266 -0.000 0.000) 2.266 4.085 ( -0.965 -0.000 0.000) 0.965 4.138 ( 4.797 0.000 0.000) 4.797 4.309 ( 0.084 0.000 0.000) 0.084 4.325 ( -3.965 -0.000 0.000) 3.965 4.498 ( -3.303 -0.000 0.000) 3.303 4.525 ( -6.634 -0.000 0.000) 6.634 4.562 ( 2.124 0.000 0.000) 2.124 4.660 ( 3.967 0.000 0.000) 3.967 4.884 ( 3.345 0.000 0.000) 3.345 4.973 ( 13.695 0.000 0.000) 13.695 5.098 ( 9.161 0.000 0.000) 9.161 5.399 ( 9.035 0.000 0.000) 9.035 5.572 ( -12.785 -0.000 0.000) 12.785 5.605 ( -1.985 -0.000 0.000) 1.985 5.710 ( 0.062 0.000 0.000) 0.062 5.789 ( -1.415 -0.000 0.000) 1.415 6.161 ( -0.448 -0.000 0.000) 0.448 6.167 ( -7.300 -0.000 0.000) 7.300 6.328 ( -1.151 -0.000 0.000) 1.151 6.426 ( 2.179 0.000 0.000) 2.179 6.593 ( -0.937 -0.000 0.000) 0.937 6.962 ( -0.935 -0.000 0.000) 0.935 7.468 ( 3.989 0.000 0.000) 3.989 7.471 ( -5.647 -0.000 0.000) 5.647 7.560 ( -6.369 -0.000 0.000) 6.369 7.766 ( -7.652 -0.000 0.000) 7.652 8.077 ( -12.299 -0.000 0.000) 12.299 10.048 ( -1.980 -0.000 0.000) 1.980 10.312 ( 0.729 0.000 0.000) 0.729 10.448 ( -2.163 -0.000 0.000) 2.163 10.767 ( 0.377 0.000 0.000) 0.377 12.288 ( -0.321 -0.000 0.000) 0.321 12.370 ( -0.370 -0.000 0.000) 0.370 12.492 ( 1.281 0.000 0.000) 1.281 12.813 ( 2.284 0.000 0.000) 2.284 15.283 ( -1.866 -0.000 0.000) 1.866 15.618 ( 0.752 0.000 0.000) 0.752 15.795 ( 5.370 0.000 0.000) 5.370 15.952 ( -4.346 -0.000 0.000) 4.346 16.114 ( 0.949 0.000 0.000) 0.949 16.190 ( 3.758 0.000 0.000) 3.758 16.423 ( -1.251 -0.000 0.000) 1.251 16.659 ( 1.378 0.000 0.000) 1.378 17.498 ( -0.835 -0.000 0.000) 0.835 18.007 ( 2.315 0.000 0.000) 2.315 18.261 ( 1.141 0.000 0.000) 1.141 18.397 ( 4.330 0.000 0.000) 4.330 18.988 ( -1.017 -0.000 0.000) 1.017 19.505 ( 4.100 0.000 0.000) 4.100 26.920 ( -9.529 -0.000 0.000) 9.529 26.977 ( -5.658 -0.000 0.000) 5.658 27.894 ( -7.557 -0.000 0.000) 7.557 27.974 ( -4.893 -0.000 0.000) 4.893 28.572 ( 3.612 0.000 0.000) 3.612 28.672 ( -5.203 -0.000 0.000) 5.203 28.842 ( -0.860 -0.000 0.000) 0.860 28.904 ( 2.782 0.000 0.000) 2.782 30.432 ( 0.269 0.000 0.000) 0.269 30.663 ( -0.044 -0.000 0.000) 0.044 30.746 ( 0.512 0.000 0.000) 0.512 30.833 ( 0.696 0.000 0.000) 0.696 31.743 ( 2.102 0.000 0.000) 2.102 32.850 ( -5.066 -0.000 0.000) 5.066 33.824 ( 9.962 0.000 0.000) 9.962 33.989 ( 9.240 0.000 0.000) 9.240 ======================= Grid point 42 (25/75) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.066 ( -0.000 2.854 0.000) 2.854 1.433 ( -0.000 2.855 0.000) 2.855 1.752 ( -0.000 2.633 0.000) 2.633 1.883 ( 0.000 -18.005 0.000) 18.005 1.955 ( -0.000 5.396 0.000) 5.396 2.436 ( 0.000 -0.251 0.000) 0.251 2.654 ( 0.000 -0.843 0.000) 0.843 2.802 ( -0.000 1.490 0.000) 1.490 3.144 ( -0.000 5.856 0.000) 5.856 3.251 ( 0.000 -17.898 0.000) 17.898 3.343 ( -0.000 6.101 0.000) 6.101 3.382 ( -0.000 3.644 0.000) 3.644 3.737 ( 0.000 -1.458 0.000) 1.458 4.026 ( -0.000 8.074 0.000) 8.074 4.183 ( -0.000 9.768 0.000) 9.768 4.207 ( 0.000 -0.149 0.000) 0.149 4.302 ( -0.000 0.544 0.000) 0.544 4.482 ( 0.000 -1.628 0.000) 1.628 4.543 ( -0.000 5.299 0.000) 5.299 4.552 ( 0.000 -7.941 0.000) 7.941 4.696 ( -0.000 0.050 0.000) 0.050 4.881 ( -0.000 4.581 0.000) 4.581 5.141 ( 0.000 -3.273 0.000) 3.273 5.180 ( 0.000 -0.655 0.000) 0.655 5.431 ( -0.000 0.768 0.000) 0.768 5.482 ( 0.000 -0.628 0.000) 0.628 5.516 ( -0.000 11.257 0.000) 11.257 5.665 ( -0.000 8.573 0.000) 8.573 5.691 ( -0.000 11.499 0.000) 11.499 5.980 ( -0.000 13.137 0.000) 13.137 6.194 ( 0.000 -5.651 0.000) 5.651 6.373 ( 0.000 -7.568 0.000) 7.568 6.529 ( 0.000 -5.608 0.000) 5.608 6.650 ( 0.000 -13.041 0.000) 13.041 6.980 ( 0.000 -4.105 0.000) 4.105 7.431 ( 0.000 -0.957 0.000) 0.957 7.512 ( 0.000 -0.804 0.000) 0.804 7.519 ( 0.000 -1.821 0.000) 1.821 7.707 ( 0.000 -0.125 0.000) 0.125 7.970 ( 0.000 -0.017 0.000) 0.017 10.035 ( 0.000 -0.341 0.000) 0.341 10.326 ( 0.000 -1.272 0.000) 1.272 10.441 ( 0.000 -1.564 0.000) 1.564 10.781 ( 0.000 -1.765 0.000) 1.765 12.276 ( -0.000 1.290 0.000) 1.290 12.362 ( -0.000 0.688 0.000) 0.688 12.530 ( 0.000 -4.402 0.000) 4.402 12.825 ( -0.000 0.954 0.000) 0.954 15.271 ( 0.000 -0.341 0.000) 0.341 15.621 ( -0.000 0.634 0.000) 0.634 15.869 ( -0.000 0.296 0.000) 0.296 15.885 ( 0.000 -0.015 0.000) 0.015 16.100 ( -0.000 3.404 0.000) 3.404 16.214 ( -0.000 1.252 0.000) 1.252 16.386 ( -0.000 4.214 0.000) 4.214 16.677 ( 0.000 -0.896 0.000) 0.896 17.475 ( -0.000 2.808 0.000) 2.808 18.027 ( 0.000 -0.286 0.000) 0.286 18.105 ( -0.000 20.590 0.000) 20.590 18.358 ( -0.000 10.542 0.000) 10.542 19.183 ( 0.000 -27.046 0.000) 27.046 19.665 ( 0.000 -19.348 0.000) 19.348 26.844 ( -0.000 0.057 0.000) 0.057 26.931 ( -0.000 0.197 0.000) 0.197 27.828 ( -0.000 0.731 0.000) 0.731 27.928 ( -0.000 1.115 0.000) 1.115 28.602 ( 0.000 -0.147 0.000) 0.147 28.622 ( -0.000 1.473 0.000) 1.473 28.836 ( 0.000 -0.165 0.000) 0.165 28.934 ( 0.000 -1.440 0.000) 1.440 30.430 ( -0.000 0.736 0.000) 0.736 30.601 ( -0.000 7.242 0.000) 7.242 30.800 ( 0.000 -5.114 0.000) 5.114 30.846 ( 0.000 -1.185 0.000) 1.185 31.772 ( 0.000 -2.154 0.000) 2.154 32.789 ( -0.000 3.860 0.000) 3.860 33.949 ( 0.000 -7.748 0.000) 7.748 34.065 ( 0.000 -0.638 0.000) 0.638 ======================= Grid point 83 (26/75) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( 0.000 0.000 19.721) 19.721 0.445 ( 0.000 0.000 22.192) 22.192 0.953 ( 0.000 0.000 -7.043) 7.043 1.199 ( 0.000 0.000 -15.216) 15.216 1.289 ( 0.000 0.000 63.689) 63.689 2.065 ( 0.000 0.000 1.181) 1.181 2.180 ( 0.000 0.000 -3.956) 3.956 2.784 ( 0.000 0.000 2.303) 2.303 2.860 ( 0.000 0.000 -1.088) 1.088 3.063 ( 0.000 0.000 18.547) 18.547 3.218 ( 0.000 0.000 -25.924) 25.924 3.349 ( 0.000 0.000 -3.931) 3.931 3.831 ( 0.000 0.000 2.231) 2.231 3.889 ( 0.000 0.000 -8.752) 8.752 3.891 ( 0.000 0.000 2.876) 2.876 3.943 ( 0.000 0.000 -2.442) 2.442 3.966 ( 0.000 0.000 6.145) 6.145 4.329 ( 0.000 0.000 -10.790) 10.790 4.351 ( 0.000 0.000 -11.906) 11.906 4.465 ( 0.000 0.000 -17.217) 17.217 4.627 ( 0.000 0.000 16.673) 16.673 4.839 ( 0.000 0.000 10.659) 10.659 4.856 ( 0.000 0.000 16.630) 16.630 4.937 ( 0.000 0.000 -0.486) 0.486 5.158 ( 0.000 0.000 -5.191) 5.191 5.316 ( 0.000 0.000 0.550) 0.550 5.320 ( 0.000 0.000 0.765) 0.765 5.503 ( 0.000 0.000 -7.731) 7.731 6.038 ( 0.000 0.000 6.764) 6.764 6.069 ( 0.000 0.000 -5.515) 5.515 6.096 ( 0.000 0.000 -4.697) 4.697 6.206 ( 0.000 0.000 -0.602) 0.602 6.874 ( 0.000 0.000 -1.037) 1.037 7.031 ( 0.000 0.000 -4.509) 4.509 7.625 ( 0.000 0.000 0.305) 0.305 7.650 ( 0.000 0.000 -1.117) 1.117 7.752 ( 0.000 0.000 3.908) 3.908 7.920 ( 0.000 0.000 -3.248) 3.248 8.477 ( 0.000 0.000 17.502) 17.502 9.085 ( 0.000 0.000 -9.110) 9.110 10.159 ( 0.000 0.000 3.744) 3.744 10.421 ( 0.000 0.000 -8.690) 8.690 10.821 ( 0.000 0.000 8.015) 8.015 11.051 ( 0.000 0.000 -3.127) 3.127 12.147 ( 0.000 0.000 1.270) 1.270 12.238 ( 0.000 0.000 -2.670) 2.670 12.363 ( 0.000 0.000 0.890) 0.890 12.371 ( 0.000 0.000 0.266) 0.266 15.351 ( 0.000 0.000 1.652) 1.652 15.451 ( 0.000 0.000 -2.621) 2.621 15.840 ( 0.000 0.000 3.033) 3.033 15.877 ( 0.000 0.000 1.996) 1.996 15.961 ( 0.000 0.000 -2.043) 2.043 16.028 ( 0.000 0.000 -4.673) 4.673 16.343 ( 0.000 0.000 1.604) 1.604 16.351 ( 0.000 0.000 0.687) 0.687 17.271 ( 0.000 0.000 -0.831) 0.831 17.273 ( 0.000 0.000 -0.567) 0.567 17.727 ( 0.000 0.000 6.869) 6.869 18.012 ( 0.000 0.000 -5.021) 5.021 20.914 ( 0.000 0.000 3.899) 3.899 21.108 ( 0.000 0.000 -3.964) 3.964 26.838 ( 0.000 0.000 0.819) 0.819 26.880 ( 0.000 0.000 -0.895) 0.895 27.717 ( 0.000 0.000 0.927) 0.927 27.761 ( 0.000 0.000 -0.854) 0.854 28.408 ( 0.000 0.000 2.053) 2.053 28.537 ( 0.000 0.000 -3.581) 3.581 28.845 ( 0.000 0.000 3.479) 3.479 28.969 ( 0.000 0.000 -1.970) 1.970 30.336 ( 0.000 0.000 0.388) 0.388 30.358 ( 0.000 0.000 -0.483) 0.483 30.643 ( 0.000 0.000 1.670) 1.670 30.742 ( 0.000 0.000 -2.565) 2.565 31.151 ( 0.000 0.000 3.103) 3.103 31.273 ( 0.000 0.000 -2.049) 2.049 35.703 ( 0.000 0.000 0.250) 0.250 35.716 ( 0.000 0.000 -0.244) 0.244 ======================= Grid point 84 (27/75) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( 7.212 -18.303 17.157) 26.103 0.979 ( 38.987 -7.932 12.274) 41.636 1.274 ( 6.581 -6.378 -7.755) 12.006 1.346 ( 34.514 -5.101 -5.781) 35.365 1.495 ( 19.317 -13.995 45.091) 51.012 2.174 ( 9.093 -5.534 0.940) 10.686 2.256 ( 6.458 -3.758 -3.533) 8.265 2.834 ( 4.861 -0.461 0.689) 4.931 2.931 ( 1.977 -0.508 3.674) 4.203 3.029 ( 3.409 1.901 9.952) 10.690 3.194 ( 4.624 8.096 -16.816) 19.227 3.354 ( -4.773 -7.009 -6.680) 10.795 3.803 ( -3.746 2.067 0.482) 4.305 3.845 ( -3.770 0.200 -6.653) 7.650 3.886 ( 3.382 -1.497 3.907) 5.380 3.996 ( 5.419 0.385 -0.855) 5.499 4.067 ( 7.899 -0.645 1.798) 8.126 4.316 ( -0.391 -2.481 -9.377) 9.707 4.431 ( 5.299 2.486 -9.671) 11.304 4.500 ( 3.858 -0.051 -16.505) 16.950 4.554 ( -4.560 2.222 14.048) 14.936 4.801 ( -4.664 0.596 4.775) 6.701 4.922 ( -0.685 -4.077 3.247) 5.257 4.979 ( 5.983 1.587 5.781) 8.470 5.184 ( -4.367 0.467 -4.112) 6.016 5.358 ( 8.927 1.127 0.299) 9.003 5.420 ( 11.523 1.360 -1.497) 11.699 5.495 ( 3.291 3.537 -6.012) 7.712 5.987 ( 0.043 7.626 5.858) 9.616 6.070 ( -0.392 -0.908 -2.387) 2.584 6.133 ( 0.417 4.204 -1.084) 4.361 6.266 ( -1.460 -16.518 -12.123) 20.541 6.847 ( -1.068 2.207 0.587) 2.522 7.059 ( -2.208 -5.009 -6.818) 8.743 7.413 ( -18.994 -0.775 17.022) 25.517 7.578 ( -4.722 0.533 0.571) 4.786 7.756 ( 2.772 0.199 3.198) 4.236 7.937 ( 2.519 0.479 -3.790) 4.576 8.496 ( 12.178 12.623 15.074) 23.127 9.008 ( 18.205 34.007 -4.496) 38.835 10.169 ( 1.522 0.068 3.398) 3.724 10.424 ( 0.763 1.823 -8.248) 8.481 10.808 ( -0.761 1.465 7.099) 7.289 11.023 ( -2.526 1.206 -2.948) 4.066 12.169 ( 1.294 -1.905 1.256) 2.623 12.284 ( 0.368 -2.863 -4.685) 5.502 12.405 ( 0.110 -6.260 0.976) 6.336 12.442 ( -2.680 -10.191 -0.863) 10.573 15.407 ( 5.204 3.301 -0.742) 6.207 15.475 ( 3.318 -1.253 -3.494) 4.978 15.826 ( -2.096 0.748 2.426) 3.292 15.861 ( -1.210 -0.336 2.000) 2.362 15.966 ( 0.027 -0.076 -2.123) 2.125 16.010 ( 0.671 3.302 -3.780) 5.064 16.277 ( 1.448 8.780 -0.167) 8.900 16.311 ( 0.982 4.904 -0.620) 5.040 17.287 ( 2.012 0.682 1.319) 2.500 17.437 ( -1.980 -14.589 -9.178) 17.349 17.804 ( -1.907 -10.228 5.257) 11.657 18.037 ( -0.183 -5.629 -5.352) 7.769 20.298 ( -25.474 12.758 31.620) 42.562 20.979 ( -39.899 -21.545 -9.705) 46.371 26.975 ( 11.394 0.241 1.791) 11.536 27.398 ( 44.132 17.592 -29.045) 55.685 27.788 ( 7.217 -0.860 0.950) 7.330 27.862 ( 15.190 3.523 -3.099) 15.898 28.392 ( 3.229 4.370 4.812) 7.258 28.636 ( 3.619 -4.577 -11.477) 12.875 28.850 ( -1.085 -1.277 2.092) 2.681 28.944 ( -3.665 -0.947 -1.852) 4.214 30.336 ( 0.653 0.170 0.237) 0.715 30.353 ( 0.968 1.298 -0.294) 1.646 30.565 ( 2.439 3.711 5.710) 7.233 30.892 ( 1.346 -2.196 -14.182) 14.415 31.374 ( 5.353 -25.542 -1.924) 26.168 31.525 ( 7.590 -29.072 -7.749) 31.030 34.682 ( -68.730 15.239 59.261) 92.021 35.452 ( -21.862 11.050 -3.940) 24.811 ======================= Grid point 85 (28/75) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 10.935 -7.963 15.894) 20.871 1.442 ( 4.696 -12.169 -2.620) 13.304 1.597 ( 16.907 -19.568 12.377) 28.670 1.978 ( 34.726 -4.013 -5.075) 35.323 2.156 ( 38.410 -12.247 21.611) 45.743 2.434 ( 11.532 -5.665 -1.224) 12.906 2.453 ( 12.216 -6.780 -1.209) 14.023 2.811 ( -8.901 2.890 7.656) 12.091 2.874 ( 3.591 6.153 -0.784) 7.167 3.204 ( 10.973 -1.119 -2.323) 11.272 3.255 ( 9.885 -3.122 -1.494) 10.473 3.382 ( -3.085 -8.680 -8.890) 12.801 3.719 ( -3.466 3.705 -1.791) 5.380 3.790 ( -0.143 1.257 -5.750) 5.888 3.974 ( 3.866 -2.274 5.098) 6.790 4.110 ( 7.870 -1.988 -0.420) 8.128 4.164 ( 5.119 1.782 1.129) 5.537 4.338 ( 1.680 2.951 -1.207) 3.604 4.461 ( -2.899 0.767 5.835) 6.560 4.468 ( 2.702 0.502 -3.635) 4.557 4.584 ( 3.383 -3.463 -15.432) 16.173 4.748 ( -2.902 -2.335 1.095) 3.882 4.923 ( -0.543 4.536 -2.354) 5.139 4.973 ( -6.776 -0.737 3.266) 7.558 5.091 ( -4.073 -1.982 -0.794) 4.599 5.377 ( 1.562 8.087 -4.157) 9.226 5.551 ( 7.742 7.851 3.651) 11.615 5.606 ( 12.199 0.817 2.268) 12.435 5.926 ( 6.242 5.723 1.042) 8.533 5.978 ( -1.826 8.808 -0.923) 9.043 6.165 ( 1.052 -4.253 0.993) 4.492 6.420 ( -2.432 -12.541 -14.353) 19.214 6.802 ( -1.287 1.827 2.538) 3.382 7.036 ( -7.056 -3.638 -2.268) 8.257 7.261 ( -4.860 -2.694 11.898) 13.132 7.496 ( -4.482 0.666 0.464) 4.555 7.810 ( 4.510 0.745 2.938) 5.434 7.973 ( 3.226 1.841 -3.286) 4.959 8.519 ( 12.682 16.208 8.671) 22.332 8.853 ( 7.578 24.264 -2.995) 25.596 10.201 ( 2.640 0.224 2.472) 3.623 10.400 ( -0.381 2.236 -6.356) 6.748 10.769 ( -1.174 2.078 6.018) 6.474 10.950 ( -4.220 1.897 -2.300) 5.167 12.228 ( 2.319 -2.996 1.088) 3.942 12.321 ( 1.551 -1.111 -3.227) 3.749 12.483 ( -2.169 -7.012 0.947) 7.400 12.494 ( -2.595 -7.328 0.907) 7.827 15.439 ( 4.294 2.195 1.275) 4.988 15.548 ( 5.301 1.399 -3.474) 6.491 15.768 ( -3.726 0.502 1.695) 4.124 15.841 ( -3.118 -1.071 0.440) 3.326 15.958 ( 0.978 1.788 -2.165) 2.973 15.990 ( 0.634 1.621 -1.161) 2.092 16.219 ( 3.578 7.164 -0.817) 8.050 16.279 ( -0.380 1.326 -3.056) 3.353 17.296 ( 2.230 3.202 3.826) 5.465 17.496 ( -4.325 -4.740 -5.926) 8.735 17.853 ( -0.967 -3.772 6.223) 7.341 18.105 ( -1.050 -4.375 -6.394) 7.818 20.004 ( -14.495 -9.074 17.749) 24.647 20.572 ( -32.937 -9.799 -8.473) 35.392 27.186 ( 16.319 1.565 4.770) 17.074 27.653 ( 19.448 13.312 -15.151) 28.017 27.915 ( 6.290 -2.351 0.903) 6.776 28.053 ( 14.740 6.021 -6.406) 17.163 28.411 ( 5.072 3.553 5.990) 8.616 28.680 ( 3.848 6.260 -8.419) 11.175 28.826 ( -2.771 -0.277 1.125) 3.004 28.882 ( -6.851 -1.747 -2.233) 7.415 30.351 ( 1.048 -0.174 0.279) 1.099 30.371 ( 1.875 -0.355 0.204) 1.919 30.600 ( 2.921 -1.506 2.029) 3.863 30.900 ( 1.568 2.700 -11.814) 12.219 31.788 ( 9.302 -23.810 -0.498) 25.567 32.015 ( 10.963 -24.018 -11.814) 28.924 33.755 ( -42.387 0.191 52.818) 67.724 34.857 ( -31.639 15.357 -9.846) 36.522 ======================= Grid point 86 (29/75) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 13.064 -9.122 4.526) 16.564 1.610 ( 2.666 -6.505 -6.566) 9.619 2.019 ( 10.683 -11.366 17.667) 23.568 2.447 ( 19.410 -2.952 -7.326) 20.955 2.527 ( -6.657 2.191 9.455) 11.769 2.641 ( 6.251 -3.785 1.104) 7.390 2.742 ( 11.569 -3.372 -2.296) 12.267 2.859 ( 11.846 2.811 4.960) 13.147 2.930 ( 22.829 -11.172 4.337) 25.783 3.341 ( -0.843 -4.807 0.693) 4.929 3.440 ( 1.058 -6.780 -7.502) 10.167 3.485 ( 3.573 -6.559 -0.652) 7.498 3.638 ( 1.360 0.237 3.143) 3.433 3.840 ( 9.391 2.919 -6.202) 11.626 4.065 ( 4.876 -2.088 6.603) 8.470 4.155 ( 2.061 4.073 7.078) 8.423 4.285 ( 1.985 -1.555 -1.352) 2.861 4.308 ( 3.840 -0.845 -1.967) 4.397 4.428 ( -0.553 1.454 0.033) 1.555 4.538 ( 3.720 -3.552 0.412) 5.160 4.635 ( -1.738 0.212 -7.066) 7.279 4.766 ( -2.597 -5.240 0.523) 5.872 4.808 ( -2.933 5.623 -4.037) 7.518 4.846 ( -7.163 1.233 -6.092) 9.483 5.122 ( 3.907 -1.838 -3.388) 5.488 5.246 ( -2.424 13.110 -0.847) 13.359 5.455 ( -0.752 10.797 6.022) 12.386 5.749 ( 6.118 8.139 -2.375) 10.455 5.876 ( 1.917 -0.933 3.297) 3.926 6.057 ( 9.185 0.045 -0.140) 9.186 6.231 ( 2.883 -2.770 -0.946) 4.108 6.487 ( -3.738 -6.638 -12.465) 14.609 6.775 ( -0.305 0.056 5.187) 5.196 6.966 ( -6.493 -2.418 3.814) 7.909 7.255 ( -0.727 -2.257 3.655) 4.357 7.424 ( -3.112 1.814 0.021) 3.603 7.868 ( 4.110 0.811 2.600) 4.931 7.980 ( 1.210 2.602 -1.395) 3.191 8.506 ( 9.249 13.365 2.716) 16.479 8.681 ( 0.745 14.139 -2.569) 14.390 10.241 ( 2.854 0.239 1.224) 3.114 10.363 ( -1.246 1.689 -4.208) 4.702 10.733 ( -0.226 1.656 4.401) 4.708 10.857 ( -4.616 1.787 -1.182) 5.089 12.303 ( 2.282 -3.099 0.750) 3.921 12.357 ( 2.208 0.116 -1.497) 2.670 12.502 ( -2.786 -4.481 1.375) 5.453 12.542 ( -2.072 -4.856 -0.291) 5.288 15.492 ( 5.280 1.539 2.025) 5.860 15.601 ( 5.095 3.079 -2.682) 6.530 15.709 ( -4.215 -1.074 1.741) 4.685 15.792 ( -4.947 -1.525 -1.216) 5.317 15.964 ( 1.458 0.534 -0.723) 1.713 15.985 ( 0.472 0.621 -0.445) 0.898 16.211 ( 4.490 5.071 -0.753) 6.815 16.261 ( -1.900 -0.943 -2.774) 3.492 17.290 ( 2.642 3.564 4.604) 6.393 17.446 ( -5.564 -0.659 -1.820) 5.891 17.896 ( 2.512 -1.442 3.003) 4.172 18.094 ( -2.935 0.300 -5.152) 5.937 19.965 ( -7.348 -10.389 7.526) 14.784 20.257 ( -20.170 -6.317 -4.771) 21.667 27.418 ( 16.625 3.010 5.220) 17.683 27.742 ( 7.560 6.513 -5.624) 11.454 28.042 ( 5.827 -3.190 -2.132) 6.977 28.163 ( 5.144 0.975 -6.523) 8.364 28.456 ( 7.407 5.357 5.865) 10.861 28.645 ( 3.875 7.501 -3.165) 9.017 28.770 ( -9.225 -0.733 -0.534) 9.269 28.782 ( -4.411 -1.283 -0.373) 4.609 30.373 ( 0.791 -1.153 1.047) 1.747 30.402 ( 1.710 0.326 1.625) 2.381 30.679 ( 2.581 -4.054 -2.694) 5.509 30.882 ( 0.941 3.579 -10.318) 10.962 32.197 ( 9.372 -18.739 2.163) 21.064 32.438 ( 16.362 -11.972 -4.795) 20.833 33.262 ( -25.505 -3.185 32.304) 41.282 34.178 ( -31.285 14.816 -11.239) 36.395 ======================= Grid point 87 (30/75) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 8.054 -9.355 -6.637) 14.015 1.674 ( 0.451 1.055 -8.637) 8.713 2.177 ( 8.597 4.435 18.365) 20.757 2.316 ( -13.008 0.621 11.686) 17.497 2.704 ( 6.941 -7.918 -6.624) 12.440 2.798 ( 3.916 -0.335 -3.622) 5.345 2.897 ( 7.018 -0.728 -0.223) 7.059 2.947 ( 1.979 -0.970 0.104) 2.206 3.312 ( -4.155 -2.623 3.027) 5.771 3.365 ( -3.482 4.356 -2.600) 6.153 3.416 ( 17.614 -5.146 7.344) 19.765 3.594 ( -1.674 -2.643 0.708) 3.208 3.798 ( 1.616 -13.962 3.116) 14.397 3.917 ( 6.356 9.503 0.165) 11.434 4.129 ( 2.022 -1.922 5.412) 6.089 4.198 ( -0.585 0.972 -0.243) 1.161 4.257 ( 5.659 -1.401 1.884) 6.127 4.389 ( -2.142 0.490 -1.130) 2.471 4.461 ( 3.166 -2.857 -2.155) 4.778 4.534 ( -3.905 1.629 1.428) 4.465 4.638 ( -0.577 -2.402 -0.767) 2.586 4.662 ( -4.685 3.664 -1.407) 6.112 4.751 ( 3.755 0.469 -7.960) 8.814 4.862 ( -1.387 -1.690 5.772) 6.172 5.047 ( -3.172 3.545 -2.332) 5.298 5.135 ( 0.715 10.624 -4.959) 11.746 5.432 ( 2.976 -7.840 -3.035) 8.919 5.617 ( -3.080 11.463 -8.092) 14.366 6.008 ( 5.986 -3.509 6.226) 9.322 6.101 ( -1.744 1.384 5.030) 5.501 6.353 ( 9.330 0.192 -7.428) 11.927 6.463 ( -6.780 -2.943 -10.190) 12.588 6.803 ( 2.272 -2.343 7.693) 8.357 6.886 ( -5.023 0.999 7.167) 8.809 7.288 ( 0.910 -3.132 0.199) 3.267 7.353 ( -2.126 3.260 -0.471) 3.920 7.917 ( 2.678 -0.148 1.760) 3.208 7.955 ( -0.853 1.710 0.462) 1.966 8.502 ( 5.747 5.925 -0.712) 8.285 8.554 ( -2.847 3.874 -2.088) 5.241 10.282 ( 2.564 -0.127 -0.260) 2.580 10.323 ( -1.989 0.841 -2.062) 2.986 10.730 ( 1.726 0.482 2.357) 2.961 10.775 ( -3.651 0.880 0.387) 3.775 12.361 ( 0.571 -2.521 0.576) 2.649 12.378 ( 1.521 1.591 0.079) 2.203 12.519 ( -0.272 -2.423 0.128) 2.441 12.544 ( -1.910 -0.953 -0.712) 2.250 15.558 ( 5.278 1.236 1.592) 5.650 15.614 ( -1.450 0.843 -0.404) 1.725 15.685 ( 1.991 0.793 0.155) 2.149 15.732 ( -5.572 -2.209 -1.304) 6.134 15.982 ( 0.723 -0.255 -0.079) 0.771 15.988 ( 0.275 0.219 -0.102) 0.366 16.225 ( 3.974 3.729 -1.167) 5.573 16.242 ( -3.032 -2.403 -1.893) 4.307 17.305 ( 3.798 1.832 3.438) 5.441 17.364 ( -5.062 -0.118 1.128) 5.187 17.959 ( 3.612 -1.056 -0.372) 3.782 18.030 ( -3.616 1.284 -3.051) 4.902 20.001 ( -0.186 -5.059 2.348) 5.580 20.086 ( -8.718 -1.382 -1.148) 8.902 27.612 ( 12.986 3.299 3.901) 13.954 27.728 ( -4.550 -0.306 0.684) 4.611 28.153 ( 4.002 -1.645 -5.483) 6.985 28.195 ( -0.337 -0.163 -6.490) 6.501 28.514 ( 8.396 4.252 4.890) 10.606 28.625 ( -8.236 0.007 1.133) 8.313 28.657 ( 4.635 2.921 -0.240) 5.484 28.720 ( -6.086 -2.046 -0.940) 6.489 30.398 ( 0.047 -1.706 1.979) 2.613 30.411 ( 0.893 1.397 2.381) 2.901 30.767 ( 1.618 -4.926 -6.402) 8.239 30.840 ( -0.285 4.468 -8.736) 9.816 32.516 ( 9.584 -10.347 9.014) 16.738 32.706 ( 0.554 1.554 11.437) 11.555 33.122 ( 5.468 -10.676 2.080) 12.174 33.563 ( -25.773 13.395 -8.988) 30.405 ======================= Grid point 93 (31/75) ======================= q-point: ( 0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.723 ( 14.373 0.000 13.863) 19.969 1.274 ( 12.164 0.000 37.574) 39.494 1.329 ( 9.825 0.000 -11.572) 15.181 1.920 ( 36.379 0.000 -3.332) 36.531 2.023 ( 45.049 0.000 14.053) 47.191 2.350 ( 17.889 0.000 2.497) 18.063 2.385 ( 12.631 0.000 -4.240) 13.323 2.874 ( -8.061 -0.000 12.781) 15.110 2.930 ( 6.777 0.000 -0.320) 6.784 3.193 ( 13.288 0.000 2.679) 13.556 3.221 ( -5.328 -0.000 -8.741) 10.237 3.327 ( 5.147 0.000 -8.204) 9.685 3.779 ( 0.307 0.000 -3.676) 3.689 3.790 ( -3.830 -0.000 -10.346) 11.033 3.945 ( 5.158 0.000 5.223) 7.341 4.100 ( 6.648 0.000 -0.194) 6.650 4.207 ( 10.116 0.000 -1.980) 10.308 4.256 ( -2.111 -0.000 -8.738) 8.989 4.486 ( 0.585 0.000 -2.003) 2.087 4.498 ( -4.768 -0.000 12.779) 13.639 4.602 ( 5.726 0.000 -13.599) 14.755 4.793 ( -0.956 -0.000 -2.629) 2.797 4.825 ( -0.328 -0.000 15.512) 15.516 5.029 ( -13.208 -0.000 -2.688) 13.479 5.058 ( -0.223 -0.000 -7.000) 7.004 5.482 ( 3.274 0.000 -6.123) 6.943 5.636 ( 12.289 0.000 0.565) 12.302 5.719 ( 16.966 0.000 -10.483) 19.943 6.027 ( -0.892 -0.000 -0.410) 0.981 6.074 ( 1.000 0.000 0.397) 1.075 6.092 ( -0.413 -0.000 -4.696) 4.715 6.182 ( -0.770 -0.000 0.035) 0.771 6.832 ( -2.701 -0.000 1.113) 2.921 6.982 ( -4.206 -0.000 0.681) 4.260 7.206 ( -6.400 -0.000 16.934) 18.103 7.500 ( -4.954 -0.000 -0.121) 4.955 7.818 ( 4.549 0.000 3.018) 5.459 7.993 ( 3.407 0.000 -4.169) 5.383 8.742 ( 9.611 0.000 12.960) 16.135 9.290 ( -6.650 -0.000 -11.438) 13.231 10.189 ( 1.742 0.000 3.936) 4.304 10.441 ( -1.031 -0.000 -6.403) 6.486 10.801 ( -1.512 -0.000 4.274) 4.533 10.972 ( -4.849 -0.000 -2.515) 5.463 12.186 ( 2.460 0.000 0.762) 2.576 12.258 ( 1.110 0.000 -2.097) 2.373 12.375 ( 0.627 0.000 1.163) 1.321 12.394 ( 2.120 0.000 0.259) 2.136 15.472 ( 1.673 0.000 -0.158) 1.680 15.568 ( 7.075 0.000 -6.871) 9.863 15.804 ( -2.474 -0.000 1.680) 2.990 15.807 ( -4.438 -0.000 1.887) 4.823 15.973 ( 0.591 0.000 -1.212) 1.348 16.038 ( 0.633 0.000 -4.371) 4.416 16.375 ( 1.422 0.000 1.186) 1.852 16.384 ( 2.389 0.000 1.360) 2.749 17.325 ( 3.352 0.000 0.489) 3.387 17.359 ( 5.382 0.000 -0.748) 5.434 17.766 ( 3.025 0.000 4.890) 5.750 18.007 ( 1.284 0.000 -6.131) 6.264 19.892 ( -26.446 -0.000 23.372) 35.293 20.311 ( -29.627 -0.000 -2.045) 29.697 27.208 ( 17.397 0.000 6.302) 18.503 27.816 ( 10.948 0.000 -11.824) 16.114 27.869 ( 2.387 0.000 2.499) 3.456 28.140 ( 3.805 0.000 -14.128) 14.632 28.596 ( 5.415 0.000 -1.924) 5.747 28.807 ( 8.542 0.000 -21.817) 23.429 28.813 ( -2.226 -0.000 1.704) 2.803 28.909 ( 9.759 0.000 -19.967) 22.224 30.352 ( 1.280 0.000 -0.100) 1.284 30.380 ( 1.188 0.000 -0.734) 1.396 30.675 ( 1.465 0.000 3.190) 3.511 30.865 ( 4.748 0.000 -3.211) 5.731 31.324 ( 11.823 0.000 8.398) 14.502 31.560 ( 18.689 0.000 -3.197) 18.961 33.760 ( -47.662 -0.000 71.513) 85.940 35.056 ( -35.505 -0.000 -9.554) 36.768 ======================= Grid point 94 (32/75) ======================= q-point: ( 0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 13.898 -11.628 8.650) 20.080 1.441 ( 7.677 -4.766 2.699) 9.431 1.609 ( 14.974 -11.521 21.006) 28.252 2.393 ( 23.084 -1.957 -3.129) 23.378 2.556 ( 14.987 -1.830 5.296) 16.000 2.601 ( 13.261 -0.098 -6.476) 14.758 2.678 ( 2.466 0.584 7.293) 7.721 2.811 ( 26.861 0.420 7.478) 27.886 2.992 ( 1.595 3.791 1.852) 4.511 3.192 ( -1.758 -6.926 -6.504) 9.662 3.358 ( 7.599 2.474 -1.742) 8.180 3.405 ( 5.530 -0.302 0.014) 5.538 3.712 ( -2.825 2.872 -7.242) 8.288 3.848 ( 7.948 -0.907 -7.883) 11.231 4.039 ( 6.680 -0.123 3.746) 7.660 4.174 ( 0.510 -1.563 -2.364) 2.879 4.261 ( 7.838 0.979 -0.024) 7.899 4.374 ( -1.864 1.878 7.815) 8.251 4.415 ( 0.966 -4.344 -1.283) 4.631 4.494 ( 0.935 -0.135 3.085) 3.226 4.655 ( 2.239 1.285 -8.660) 9.036 4.730 ( 1.180 4.372 1.344) 4.723 4.785 ( -12.489 -0.940 -0.039) 12.525 4.948 ( -1.048 -3.001 -7.288) 7.951 5.021 ( -1.194 -0.820 0.293) 1.478 5.483 ( 1.397 5.200 -7.119) 8.926 5.753 ( 4.983 8.196 6.937) 11.837 5.847 ( 9.810 7.300 -0.147) 12.229 6.028 ( -1.165 4.267 -3.905) 5.901 6.074 ( 6.432 1.179 -2.897) 7.152 6.164 ( 2.335 -1.623 -0.572) 2.901 6.216 ( -1.671 -12.550 -7.711) 14.824 6.777 ( -3.703 0.101 3.174) 4.878 6.916 ( -5.086 -1.167 4.882) 7.145 7.178 ( -1.403 -3.074 8.285) 8.947 7.438 ( -3.256 -0.134 -0.885) 3.377 7.881 ( 3.443 0.301 2.699) 4.385 8.019 ( 0.157 0.756 -2.827) 2.931 8.794 ( 3.728 7.707 6.132) 10.531 9.037 ( -11.956 11.506 -3.448) 16.948 10.226 ( 1.762 -1.131 3.011) 3.667 10.402 ( -2.642 1.155 -3.777) 4.752 10.767 ( -1.607 1.101 2.888) 3.484 10.883 ( -6.055 0.362 -1.659) 6.289 12.239 ( 2.808 -1.581 0.512) 3.263 12.302 ( 0.801 -3.718 -2.225) 4.406 12.409 ( 0.572 -2.985 1.683) 3.474 12.444 ( 2.762 -1.418 0.046) 3.105 15.508 ( 3.272 0.086 2.003) 3.838 15.656 ( 3.893 0.134 -4.277) 5.785 15.718 ( -3.363 2.189 0.914) 4.115 15.767 ( -4.023 -1.170 -0.080) 4.191 15.982 ( 0.954 0.530 -0.667) 1.279 16.035 ( 0.944 2.174 -2.985) 3.811 16.343 ( 2.549 7.567 1.203) 8.075 16.388 ( 3.603 5.803 0.102) 6.831 17.399 ( 2.826 -0.158 0.661) 2.907 17.426 ( 4.561 2.997 0.421) 5.474 17.847 ( 4.514 -2.297 3.267) 6.028 18.058 ( 1.230 -2.707 -6.229) 6.902 19.653 ( -13.116 -10.456 10.625) 19.855 19.956 ( -25.947 -12.693 -3.420) 29.087 27.482 ( 18.491 1.792 7.817) 20.155 27.826 ( -4.626 1.424 1.604) 5.099 27.950 ( 1.618 -2.972 -3.108) 4.595 28.172 ( 4.388 -0.150 -11.688) 12.486 28.661 ( 6.877 5.006 -0.549) 8.524 28.739 ( -7.988 -1.400 -0.679) 8.138 28.768 ( -3.397 0.336 0.504) 3.451 28.989 ( 9.121 18.120 -24.094) 31.497 30.375 ( 1.665 0.723 -1.117) 2.131 30.399 ( 1.776 -0.243 -1.327) 2.230 30.660 ( 2.690 3.276 4.689) 6.321 30.939 ( 1.211 -0.554 -6.847) 6.975 31.660 ( 10.439 -19.984 12.150) 25.612 32.013 ( 23.029 -16.303 -5.685) 28.783 33.257 ( -19.572 1.012 45.006) 49.088 34.443 ( -36.592 6.142 -12.943) 39.296 ======================= Grid point 95 (33/75) ======================= q-point: ( 0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 13.271 -8.064 2.914) 15.800 1.618 ( 6.413 -5.564 -3.689) 9.257 2.017 ( 13.597 -17.007 23.940) 32.361 2.397 ( -13.237 5.237 10.232) 17.531 2.671 ( 8.050 4.663 -9.729) 13.461 2.760 ( 10.103 -1.026 0.870) 10.192 2.905 ( 12.896 -1.798 -1.931) 13.164 2.945 ( 3.854 2.644 -3.056) 5.585 3.213 ( 8.693 -2.875 0.750) 9.187 3.290 ( 5.148 -5.601 1.777) 7.812 3.386 ( -2.794 2.633 -4.315) 5.776 3.450 ( 1.037 -4.092 0.949) 4.326 3.700 ( 6.045 1.577 2.450) 6.710 4.005 ( 9.314 0.304 -4.689) 10.432 4.133 ( 1.473 -1.565 2.796) 3.527 4.204 ( -1.195 -0.977 5.663) 5.870 4.266 ( 4.532 3.878 6.929) 9.143 4.398 ( 3.902 -1.353 1.119) 4.279 4.432 ( -1.096 1.243 -0.221) 1.672 4.538 ( -5.346 -0.822 1.081) 5.515 4.576 ( 1.345 -1.054 1.186) 2.080 4.741 ( 2.322 -0.501 -4.068) 4.711 4.757 ( 1.223 -2.610 -16.508) 16.758 4.844 ( -4.184 6.816 -8.577) 11.727 5.093 ( 0.530 -7.823 1.827) 8.051 5.387 ( -1.178 12.346 -4.103) 13.063 5.612 ( -0.801 16.264 8.042) 18.161 5.863 ( -4.865 6.705 -0.419) 8.295 5.960 ( 8.438 3.830 2.598) 9.624 6.146 ( 2.152 1.711 0.644) 2.824 6.299 ( 8.190 -4.247 -4.870) 10.432 6.307 ( -4.308 -10.296 -10.200) 15.120 6.733 ( -3.315 -2.582 4.949) 6.492 6.859 ( -4.506 -1.853 5.307) 7.204 7.202 ( -1.134 -3.811 4.206) 5.788 7.395 ( -2.283 0.421 -1.427) 2.725 7.912 ( 0.740 -0.019 1.814) 1.959 7.982 ( -3.507 0.611 -0.866) 3.664 8.686 ( -6.540 8.841 0.001) 10.997 8.737 ( -7.794 8.045 0.073) 11.202 10.264 ( 1.243 -1.258 1.125) 2.096 10.342 ( -3.555 0.610 -1.741) 4.005 10.738 ( -0.665 0.398 1.469) 1.661 10.787 ( -5.626 0.043 -0.194) 5.629 12.295 ( 1.104 -2.244 0.746) 2.610 12.361 ( 0.917 -3.408 -2.365) 4.248 12.454 ( 1.206 -2.512 2.149) 3.519 12.505 ( 3.010 -0.986 -0.445) 3.199 15.568 ( 3.936 -0.313 3.232) 5.103 15.613 ( -6.148 -0.725 1.577) 6.388 15.685 ( -3.329 0.342 -2.050) 3.925 15.762 ( 5.128 1.919 -3.654) 6.583 15.989 ( 1.133 1.009 -0.114) 1.521 16.024 ( 1.245 2.307 -1.409) 2.976 16.293 ( 2.160 6.907 1.448) 7.380 16.378 ( 5.124 6.766 -1.675) 8.651 17.403 ( -0.481 2.840 2.043) 3.532 17.431 ( 6.168 8.108 1.281) 10.268 17.937 ( 4.561 -0.726 0.819) 4.690 18.063 ( -1.714 1.351 -4.399) 4.911 19.692 ( -5.073 -17.483 3.737) 18.584 19.825 ( -15.297 -17.751 -1.912) 23.510 27.696 ( 7.338 2.921 4.545) 9.113 27.709 ( -5.811 -0.023 2.996) 6.538 27.960 ( -4.897 -7.213 -0.406) 8.728 28.301 ( 11.549 1.756 -11.134) 16.138 28.594 ( -10.061 -0.826 1.328) 10.182 28.669 ( -5.454 -0.051 -1.877) 5.768 28.742 ( 5.619 5.368 0.772) 7.809 28.861 ( 3.792 16.377 -7.366) 18.353 30.384 ( 0.869 0.650 -0.346) 1.139 30.434 ( 1.988 0.064 -0.760) 2.129 30.684 ( 1.935 -0.785 0.213) 2.099 30.935 ( 0.535 2.722 -6.722) 7.272 32.023 ( 2.136 -22.249 18.340) 28.913 32.569 ( 22.553 -15.641 -8.251) 28.659 33.073 ( -0.208 4.953 21.185) 21.757 33.834 ( -29.724 8.337 -11.182) 32.834 ======================= Grid point 96 (34/75) ======================= q-point: ( 0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 8.398 -2.391 -3.209) 9.303 1.758 ( 6.485 0.646 -6.530) 9.226 2.105 ( -13.828 2.707 14.715) 20.373 2.371 ( 10.676 -2.645 18.941) 21.903 2.643 ( -1.616 -3.106 -8.915) 9.578 2.899 ( 3.683 1.511 -3.447) 5.265 2.968 ( -1.758 4.162 0.938) 4.614 3.010 ( 2.666 5.917 -2.066) 6.811 3.210 ( -5.649 -4.075 -1.011) 7.038 3.337 ( -3.410 -6.716 -3.945) 8.503 3.426 ( -4.191 -4.033 5.327) 7.887 3.452 ( -1.807 -2.950 2.700) 4.389 3.797 ( 4.791 0.720 5.511) 7.338 4.076 ( -0.377 -0.827 -1.846) 2.057 4.127 ( -0.648 4.778 5.816) 7.555 4.196 ( 4.873 0.965 5.315) 7.275 4.262 ( -8.755 -1.485 1.682) 9.038 4.417 ( 6.747 0.261 -0.535) 6.773 4.507 ( 1.271 -1.461 -1.421) 2.402 4.512 ( 4.276 0.762 0.241) 4.350 4.619 ( -0.564 1.314 -5.924) 6.094 4.672 ( -1.149 6.987 -3.132) 7.743 4.790 ( 2.011 -3.485 -6.991) 8.066 4.845 ( 3.090 -1.748 -0.611) 3.603 5.109 ( -4.311 13.318 -2.650) 14.246 5.259 ( 2.564 -2.352 -4.857) 5.975 5.413 ( -1.206 10.545 4.998) 11.732 5.663 ( -6.553 9.546 -5.744) 12.926 6.042 ( 0.801 0.331 3.413) 3.521 6.130 ( 1.431 3.009 4.677) 5.742 6.286 ( -8.234 -5.486 -7.359) 12.330 6.476 ( 6.795 -2.004 -7.262) 10.145 6.752 ( -1.850 -6.427 7.275) 9.882 6.833 ( -0.961 -2.561 5.456) 6.103 7.239 ( -0.780 -4.997 1.680) 5.329 7.354 ( -1.368 1.486 -1.821) 2.719 7.901 ( -4.312 -1.150 0.645) 4.509 7.916 ( -3.606 -1.244 0.734) 3.885 8.445 ( -12.965 1.635 1.557) 13.160 8.582 ( -5.250 4.336 -3.407) 7.614 10.274 ( -3.589 -0.614 -0.266) 3.651 10.301 ( 0.167 -1.102 -1.032) 1.519 10.709 ( -4.009 -1.136 1.696) 4.499 10.752 ( 1.046 -0.952 0.127) 1.420 12.324 ( -0.805 -2.236 1.215) 2.669 12.389 ( -0.830 -0.789 -1.403) 1.812 12.520 ( 3.321 -2.445 0.808) 4.202 12.556 ( 3.596 0.928 -0.589) 3.760 15.525 ( -6.195 -1.122 1.415) 6.453 15.605 ( -2.190 0.064 -1.168) 2.483 15.657 ( 2.101 -1.017 2.250) 3.242 15.823 ( 6.329 3.309 -3.710) 8.048 15.992 ( 1.011 1.261 0.575) 1.715 16.017 ( 0.756 1.807 -0.519) 2.027 16.239 ( 0.748 5.859 2.293) 6.336 16.381 ( 5.645 6.959 -3.455) 9.603 17.338 ( -1.359 4.408 3.640) 5.876 17.442 ( 7.142 6.928 0.033) 9.950 17.992 ( -2.276 1.650 -1.538) 3.204 18.010 ( 2.759 0.297 -1.559) 3.183 19.872 ( -4.612 -15.528 0.537) 16.207 19.883 ( 1.599 -16.584 0.276) 16.663 27.543 ( -13.387 -2.298 3.084) 13.928 27.696 ( -9.070 -2.785 -2.528) 9.819 28.037 ( 5.191 -2.147 4.524) 7.212 28.371 ( -4.797 4.085 -5.363) 8.274 28.498 ( 3.390 1.114 -3.216) 4.803 28.571 ( -7.304 -1.689 -2.058) 7.774 28.744 ( 4.724 8.678 2.340) 10.154 28.787 ( 3.863 3.611 -0.394) 5.303 30.389 ( 0.166 -0.098 0.712) 0.737 30.448 ( 1.176 1.834 1.644) 2.729 30.730 ( 0.499 -3.215 -5.157) 6.097 30.896 ( 0.015 4.441 -6.154) 7.589 32.232 ( -6.983 -18.713 20.963) 28.955 32.941 ( 7.160 4.384 -4.902) 9.722 33.202 ( 15.966 -6.530 -0.361) 17.254 33.402 ( -5.543 5.908 -2.751) 8.555 ======================= Grid point 97 (35/75) ======================= q-point: (-0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -7.323 15.401 -1.819) 17.150 1.729 ( 1.556 4.859 -11.577) 12.652 2.015 ( -2.012 -5.447 14.709) 15.814 2.494 ( 3.617 0.318 7.299) 8.153 2.570 ( -11.584 4.130 0.696) 12.318 2.758 ( -17.730 3.016 1.102) 18.019 2.824 ( -5.685 5.336 1.212) 7.890 2.920 ( -7.283 5.396 2.338) 9.361 3.092 ( -11.089 0.784 1.805) 11.262 3.329 ( -4.750 -11.015 -1.351) 12.072 3.475 ( 7.391 0.715 -1.885) 7.661 3.534 ( 3.457 -3.224 0.763) 4.788 3.761 ( -8.445 1.723 4.768) 9.850 3.925 ( -6.531 13.219 -1.954) 14.873 4.088 ( -4.053 -1.778 2.354) 5.013 4.182 ( -1.249 3.946 4.659) 6.232 4.275 ( 2.734 -0.747 -0.871) 2.965 4.357 ( -5.982 5.287 -3.775) 8.831 4.467 ( -3.106 2.667 1.505) 4.362 4.593 ( 1.804 0.593 -2.237) 2.935 4.651 ( 5.443 -2.734 0.481) 6.110 4.685 ( 3.137 -2.666 -5.113) 6.564 4.748 ( -0.841 6.784 7.520) 10.163 4.916 ( 4.256 -5.163 2.173) 7.035 5.031 ( 2.189 4.739 -5.072) 7.278 5.180 ( 2.500 8.349 -5.073) 10.084 5.429 ( -4.515 0.199 -4.862) 6.638 5.510 ( -0.896 -5.375 -5.434) 7.696 5.956 ( -6.471 3.265 1.060) 7.325 6.071 ( -8.602 1.098 1.250) 8.761 6.255 ( 0.401 -0.818 0.329) 0.968 6.553 ( 2.474 0.024 -7.621) 8.012 6.763 ( -2.523 -2.086 8.831) 9.418 6.943 ( 6.619 -5.539 3.381) 9.270 7.276 ( -1.700 -2.073 -0.468) 2.721 7.352 ( 2.373 -2.231 -0.295) 3.271 7.830 ( -6.483 -2.504 1.585) 7.128 7.895 ( -4.046 -4.065 -0.270) 5.742 8.262 ( -14.056 -5.626 2.789) 15.395 8.469 ( -8.285 -3.149 -4.917) 10.135 10.220 ( -4.169 -1.166 1.052) 4.455 10.324 ( 0.193 -1.696 -3.647) 4.026 10.684 ( -1.822 -2.346 4.113) 5.074 10.803 ( 2.613 -2.521 -1.221) 3.830 12.327 ( -1.723 -1.690 0.993) 2.609 12.362 ( -2.010 1.282 -0.342) 2.408 12.588 ( 4.002 1.783 -0.201) 4.386 12.603 ( 4.101 0.566 -0.256) 4.148 15.450 ( -5.401 -1.421 1.724) 5.845 15.560 ( -3.073 -0.562 -3.256) 4.512 15.718 ( 3.745 -0.382 3.587) 5.199 15.870 ( 4.915 3.737 -3.473) 7.084 15.982 ( -0.088 2.272 0.942) 2.462 16.002 ( 0.496 1.538 0.033) 1.617 16.179 ( -1.010 3.682 2.874) 4.779 16.381 ( 5.335 7.215 -5.491) 10.520 17.274 ( -0.935 2.685 5.275) 5.993 17.489 ( 7.430 4.139 -3.196) 9.086 17.925 ( -2.355 1.411 2.141) 3.482 18.069 ( 3.203 -1.065 -3.468) 4.839 19.998 ( 2.078 -8.794 3.966) 9.868 20.162 ( 10.310 -13.639 -2.758) 17.318 27.351 ( -14.923 -2.370 3.099) 15.425 27.547 ( -17.683 -7.727 -5.010) 19.937 28.080 ( -1.702 1.490 3.058) 3.803 28.187 ( -11.332 2.048 0.501) 11.527 28.505 ( 1.458 2.986 -2.252) 4.014 28.532 ( -0.192 0.545 -2.086) 2.165 28.785 ( 7.305 0.781 1.040) 7.419 28.815 ( 3.171 1.484 -0.238) 3.509 30.389 ( -0.480 -0.252 1.780) 1.861 30.429 ( 0.266 2.953 2.673) 3.992 30.759 ( -1.517 -1.429 -6.954) 7.259 30.841 ( 0.131 3.538 -6.998) 7.843 32.274 ( -8.977 -9.816 13.537) 18.979 32.727 ( -13.142 12.221 -4.707) 18.553 33.395 ( 22.249 5.831 9.159) 24.757 33.794 ( 25.520 -15.634 -6.491) 30.624 ======================= Grid point 98 (36/75) ======================= q-point: (-0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -11.473 16.019 8.304) 21.383 1.691 ( 0.718 6.247 -11.467) 13.078 1.898 ( -21.374 7.421 4.073) 22.990 2.092 ( -32.132 5.598 -3.994) 32.860 2.362 ( -19.909 -3.507 22.181) 30.011 2.628 ( -6.318 7.832 -1.783) 10.220 2.665 ( -8.017 11.076 0.321) 13.676 2.719 ( 7.729 -0.165 10.901) 13.364 2.930 ( -3.581 8.243 0.941) 9.037 3.375 ( -11.132 11.019 -2.715) 15.896 3.424 ( -4.079 -5.682 -10.995) 13.031 3.537 ( -5.994 16.709 -5.416) 18.559 3.657 ( 5.660 -1.380 5.926) 8.310 3.699 ( -1.299 -3.109 2.079) 3.959 4.045 ( -3.824 0.790 4.047) 5.623 4.102 ( -0.767 2.612 6.960) 7.473 4.204 ( -6.567 4.230 -2.319) 8.149 4.299 ( -1.890 -0.797 -3.979) 4.477 4.432 ( -0.192 0.476 -3.425) 3.463 4.537 ( -2.116 4.679 3.564) 6.251 4.648 ( 0.690 -1.606 -7.242) 7.450 4.810 ( 1.874 0.701 3.640) 4.154 4.838 ( 2.227 -2.854 5.206) 6.340 4.941 ( 8.576 -1.324 -4.502) 9.776 5.045 ( -1.336 -1.751 -3.647) 4.260 5.211 ( 3.120 -1.931 -5.313) 6.456 5.386 ( 0.569 -2.355 1.915) 3.088 5.569 ( -5.945 -5.661 -3.068) 8.764 5.821 ( -7.471 -0.729 -0.046) 7.507 5.898 ( -8.953 0.739 0.272) 8.987 6.269 ( 1.976 2.995 2.838) 4.575 6.571 ( 1.199 1.459 -9.310) 9.499 6.757 ( -0.736 -1.669 6.704) 6.948 7.109 ( 9.110 -0.292 -3.469) 9.752 7.274 ( 0.880 -1.327 4.485) 4.759 7.449 ( 4.381 -3.474 0.976) 5.676 7.770 ( -5.596 -3.167 2.221) 6.803 7.891 ( -3.828 -5.318 -1.264) 6.674 8.140 ( -15.790 -12.207 4.397) 20.437 8.399 ( -12.983 -12.171 -4.191) 18.283 10.176 ( -3.554 -1.476 2.147) 4.407 10.348 ( -0.029 -2.203 -5.950) 6.345 10.706 ( 0.043 -3.162 6.142) 6.908 10.884 ( 2.952 -3.429 -2.240) 5.049 12.301 ( -2.150 2.350 0.356) 3.205 12.318 ( -1.717 -0.597 0.004) 1.817 12.616 ( 4.139 3.882 0.298) 5.682 12.641 ( 3.354 3.397 -0.120) 4.775 15.394 ( -4.040 -1.378 2.137) 4.774 15.525 ( -2.358 -0.375 -3.620) 4.337 15.773 ( 3.305 0.398 3.103) 4.551 15.881 ( 1.944 2.980 -1.866) 4.018 15.943 ( -1.567 1.216 0.804) 2.140 16.001 ( 1.844 1.942 -0.975) 2.850 16.125 ( -2.371 0.635 2.613) 3.585 16.371 ( 4.230 6.835 -7.853) 11.237 17.249 ( -0.281 0.060 6.321) 6.327 17.556 ( 5.292 2.065 -7.764) 9.620 17.902 ( 1.733 1.013 6.253) 6.567 18.131 ( 2.771 -1.226 -4.644) 5.545 20.133 ( 6.868 -1.843 9.855) 12.153 20.538 ( 18.869 -12.011 -7.169) 23.488 27.147 ( -14.107 -1.484 2.425) 14.390 27.340 ( -23.002 -9.913 -5.931) 25.740 27.966 ( -8.719 1.745 1.242) 8.978 27.996 ( -10.931 0.742 1.007) 11.003 28.469 ( 0.944 5.506 1.439) 5.768 28.569 ( 2.028 -2.945 -2.367) 4.288 28.841 ( 2.061 0.539 0.748) 2.258 28.901 ( 6.680 -0.279 -1.912) 6.953 30.377 ( -0.859 0.642 2.288) 2.527 30.392 ( -0.429 2.640 2.199) 3.462 30.699 ( -1.985 5.011 -3.625) 6.496 30.835 ( -0.519 -1.753 -10.670) 10.826 32.199 ( -6.588 3.398 2.532) 7.834 32.381 ( -9.861 13.618 -1.466) 16.877 33.761 ( 29.772 0.674 20.410) 36.102 34.403 ( 24.433 -20.496 -8.307) 32.956 ======================= Grid point 99 (37/75) ======================= q-point: (-0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( -9.708 8.510 20.702) 24.398 1.229 ( -40.167 8.884 9.020) 42.115 1.492 ( -31.889 8.504 -5.728) 33.497 1.600 ( 0.145 13.862 -8.328) 16.172 2.101 ( -5.192 22.151 28.377) 36.371 2.410 ( -5.905 12.418 -0.776) 13.773 2.424 ( -5.273 9.757 -1.761) 11.230 2.802 ( 1.825 -0.400 -0.489) 1.932 2.896 ( 4.508 -1.786 5.891) 7.630 3.061 ( -11.544 6.287 -3.439) 13.588 3.120 ( -12.443 7.556 -1.374) 14.622 3.555 ( 6.170 3.814 -13.156) 15.023 3.748 ( 3.879 -1.146 6.837) 7.943 3.775 ( 2.415 -5.329 -3.168) 6.653 3.958 ( -4.544 3.181 1.864) 5.851 4.030 ( -5.616 2.094 1.146) 6.102 4.074 ( -3.078 3.333 2.739) 5.300 4.270 ( -2.209 -1.513 -6.818) 7.325 4.412 ( -2.671 0.254 -10.088) 10.439 4.505 ( 1.812 -0.011 13.861) 13.979 4.638 ( 1.115 6.619 -16.368) 17.691 4.820 ( 3.360 0.090 3.950) 5.187 4.884 ( -0.552 -1.786 8.138) 8.350 5.033 ( 0.055 -0.288 1.840) 1.863 5.136 ( 4.917 -5.187 -5.011) 8.729 5.268 ( -1.292 -4.661 -2.932) 5.656 5.410 ( -2.368 -0.957 -0.338) 2.576 5.456 ( -8.348 1.684 -0.850) 8.559 5.758 ( -4.274 -8.205 4.253) 10.182 5.883 ( -0.620 -7.554 -0.161) 7.581 6.231 ( 0.590 6.432 3.179) 7.199 6.552 ( 1.019 4.994 -12.185) 13.208 6.783 ( 0.277 -2.933 3.433) 4.524 7.183 ( 3.596 4.081 -13.958) 14.981 7.407 ( 13.797 -2.552 12.232) 18.614 7.550 ( 4.170 -1.854 0.951) 4.662 7.736 ( -2.660 -2.151 2.846) 4.450 7.903 ( -1.061 -3.040 -1.608) 3.599 8.060 ( -17.817 -17.166 6.967) 25.703 8.354 ( -17.200 -19.785 1.829) 26.280 10.149 ( -2.144 -1.371 3.116) 4.023 10.375 ( -0.027 -2.304 -7.621) 7.962 10.751 ( 0.591 -3.196 7.388) 8.071 10.966 ( 2.006 -3.422 -2.895) 4.910 12.237 ( -1.321 3.268 1.010) 3.666 12.302 ( -1.032 -0.211 -1.564) 1.886 12.602 ( 1.575 7.152 0.675) 7.355 12.635 ( 3.437 5.268 -0.081) 6.290 15.358 ( -2.463 -1.077 2.150) 3.442 15.492 ( -1.803 0.589 -3.579) 4.051 15.813 ( 2.430 -0.024 2.117) 3.223 15.874 ( 0.096 0.757 1.158) 1.387 15.917 ( -1.219 -1.096 -1.347) 2.121 16.003 ( 1.266 2.175 -1.941) 3.178 16.103 ( -2.033 -3.398 1.506) 4.237 16.345 ( 2.224 5.781 -9.896) 11.675 17.256 ( -0.135 -1.259 6.097) 6.227 17.585 ( 1.512 1.989 -10.210) 10.512 17.951 ( 5.474 1.550 6.018) 8.282 18.167 ( 1.523 1.639 -5.443) 5.885 20.251 ( 8.077 1.368 20.207) 21.804 21.029 ( 23.366 -13.685 -14.903) 30.909 26.968 ( -9.654 -0.223 0.636) 9.678 27.069 ( -25.428 -7.648 -4.388) 26.913 27.812 ( -7.981 1.131 0.889) 8.110 27.843 ( -6.798 1.095 0.010) 6.885 28.419 ( 0.097 3.963 3.474) 5.271 28.627 ( 1.047 -2.088 -5.540) 6.012 28.863 ( 1.346 0.294 2.385) 2.755 28.982 ( 3.781 0.703 -3.175) 4.987 30.348 ( -0.605 1.642 1.448) 2.271 30.360 ( -0.723 1.338 1.491) 2.129 30.608 ( -1.377 5.073 -0.736) 5.308 30.849 ( -0.808 -2.230 -12.170) 12.399 31.951 ( -4.528 20.988 -0.932) 21.491 32.133 ( -3.953 13.052 -8.067) 15.845 34.301 ( 30.469 -12.797 30.574) 45.021 35.003 ( 17.015 -23.728 -6.710) 29.959 ======================= Grid point 100 (38/75) ======================= q-point: (-0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.573 ( -0.000 10.891 15.173) 18.677 0.842 ( -0.000 9.479 27.089) 28.700 1.079 ( -0.000 9.192 -7.393) 11.796 1.399 ( -0.000 16.630 -4.039) 17.114 1.699 ( -0.000 32.781 34.117) 47.313 2.205 ( -0.000 11.036 0.391) 11.043 2.277 ( -0.000 7.670 -3.028) 8.246 2.815 ( -0.000 2.281 2.974) 3.748 2.914 ( -0.000 4.189 -1.421) 4.423 2.985 ( 0.000 -7.539 -2.639) 7.988 3.030 ( 0.000 -7.254 -2.600) 7.705 3.512 ( -0.000 10.773 -10.078) 14.753 3.803 ( 0.000 -2.757 4.149) 4.982 3.873 ( -0.000 2.821 1.358) 3.131 3.887 ( 0.000 -5.557 -4.438) 7.112 3.957 ( -0.000 1.293 2.446) 2.767 3.995 ( -0.000 3.051 1.901) 3.595 4.288 ( 0.000 -4.148 -7.775) 8.812 4.367 ( -0.000 1.234 -11.993) 12.056 4.529 ( -0.000 5.083 -8.336) 9.764 4.568 ( -0.000 0.164 6.542) 6.544 4.854 ( -0.000 1.119 10.496) 10.555 4.886 ( -0.000 0.352 4.860) 4.873 5.025 ( -0.000 3.118 5.175) 6.041 5.155 ( 0.000 -0.299 -4.975) 4.984 5.296 ( -0.000 0.706 2.789) 2.878 5.383 ( -0.000 2.886 -1.365) 3.192 5.403 ( 0.000 -7.201 -7.984) 10.751 5.865 ( 0.000 -11.614 6.562) 13.340 5.997 ( 0.000 -10.846 -0.166) 10.847 6.151 ( -0.000 6.546 1.447) 6.704 6.464 ( -0.000 11.925 -15.890) 19.866 6.823 ( 0.000 -2.909 1.587) 3.314 7.149 ( -0.000 5.827 -11.991) 13.332 7.600 ( 0.000 -1.883 0.490) 1.946 7.633 ( 0.000 -1.422 -1.206) 1.864 7.754 ( -0.000 0.118 3.834) 3.836 7.924 ( -0.000 0.251 -3.317) 3.326 8.073 ( 0.000 -25.773 21.221) 33.386 8.433 ( 0.000 -22.216 12.671) 25.576 10.146 ( 0.000 -1.039 3.623) 3.769 10.399 ( 0.000 -1.726 -8.422) 8.597 10.791 ( 0.000 -2.420 7.894) 8.257 11.019 ( 0.000 -2.578 -3.125) 4.051 12.188 ( -0.000 2.979 1.351) 3.271 12.293 ( -0.000 0.384 -3.214) 3.237 12.507 ( -0.000 9.559 1.339) 9.652 12.596 ( -0.000 7.445 -3.006) 8.029 15.345 ( 0.000 -0.425 1.949) 1.995 15.464 ( -0.000 1.003 -3.168) 3.323 15.851 ( 0.000 -1.526 1.235) 1.963 15.854 ( -0.000 1.094 3.416) 3.587 15.946 ( 0.000 -4.694 -3.564) 5.893 15.985 ( -0.000 1.996 -2.175) 2.952 16.156 ( 0.000 -8.042 -0.019) 8.042 16.305 ( -0.000 3.159 -8.559) 9.123 17.268 ( 0.000 -0.836 4.457) 4.535 17.560 ( -0.000 4.414 -11.080) 11.927 17.968 ( -0.000 6.215 0.639) 6.248 18.124 ( -0.000 7.236 -6.120) 9.477 20.348 ( 0.000 -5.919 31.577) 32.127 21.439 ( 0.000 -10.570 -26.703) 28.718 26.840 ( -0.000 0.205 0.864) 0.888 26.885 ( -0.000 0.380 -0.937) 1.011 27.729 ( -0.000 1.016 0.941) 1.385 27.774 ( -0.000 1.103 -0.873) 1.407 28.381 ( -0.000 2.265 4.510) 5.047 28.646 ( -0.000 0.201 -8.592) 8.594 28.870 ( -0.000 0.481 2.915) 2.954 28.995 ( -0.000 2.019 -3.292) 3.862 30.332 ( -0.000 0.183 0.455) 0.491 30.339 ( -0.000 0.841 0.486) 0.971 30.548 ( -0.000 2.627 2.621) 3.711 30.868 ( 0.000 -2.215 -13.364) 13.547 31.631 ( -0.000 24.736 -1.250) 24.767 31.865 ( -0.000 27.759 -17.667) 32.904 34.903 ( 0.000 -34.955 33.597) 48.483 35.425 ( 0.000 -21.185 -3.257) 21.434 ======================= Grid point 103 (39/75) ======================= q-point: ( 0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.176 ( 13.699 0.000 8.239) 15.985 1.535 ( 7.253 0.000 0.535) 7.273 1.790 ( 16.023 0.000 19.563) 25.287 2.498 ( -12.008 -0.000 15.928) 19.947 2.659 ( 13.102 0.000 -4.529) 13.863 2.794 ( 9.425 0.000 -5.456) 10.890 2.872 ( 16.692 0.000 -1.655) 16.774 2.984 ( -1.668 -0.000 -4.101) 4.427 3.156 ( 0.978 0.000 -0.246) 1.009 3.244 ( 20.395 0.000 1.249) 20.433 3.444 ( 0.283 0.000 1.244) 1.276 3.467 ( 1.450 0.000 -0.574) 1.559 3.720 ( 3.779 0.000 -3.642) 5.249 4.001 ( 11.526 0.000 -6.802) 13.383 4.127 ( -4.665 -0.000 -1.257) 4.831 4.191 ( 11.964 0.000 -1.475) 12.055 4.264 ( -6.894 -0.000 7.371) 10.092 4.392 ( 7.314 0.000 3.485) 8.102 4.472 ( 0.679 0.000 -5.869) 5.908 4.510 ( -11.353 -0.000 2.285) 11.581 4.522 ( 3.112 0.000 3.685) 4.823 4.727 ( 4.032 0.000 -6.753) 7.865 4.822 ( -0.201 -0.000 12.942) 12.943 4.900 ( 0.761 0.000 -11.358) 11.384 4.976 ( -5.003 -0.000 -5.002) 7.075 5.535 ( 0.675 0.000 -9.079) 9.104 5.863 ( 1.163 0.000 8.300) 8.381 5.974 ( -2.400 -0.000 -1.817) 3.011 6.039 ( -1.649 -0.000 -3.672) 4.026 6.096 ( 5.841 0.000 -4.983) 7.678 6.193 ( 1.780 0.000 -1.245) 2.172 6.218 ( 7.122 0.000 -2.764) 7.640 6.696 ( -6.008 -0.000 5.071) 7.862 6.834 ( -4.989 -0.000 4.672) 6.835 7.142 ( -1.106 -0.000 6.447) 6.541 7.395 ( -2.175 -0.000 -2.120) 3.037 7.913 ( 0.260 0.000 1.724) 1.743 7.989 ( -4.479 -0.000 -1.350) 4.678 8.825 ( -4.843 -0.000 0.926) 4.930 8.838 ( -19.252 -0.000 0.371) 19.256 10.242 ( 1.315 0.000 2.705) 3.008 10.349 ( -4.606 -0.000 -1.355) 4.801 10.748 ( -1.451 -0.000 0.420) 1.511 10.783 ( -6.656 -0.000 -0.797) 6.703 12.277 ( 2.836 0.000 -0.797) 2.946 12.290 ( 0.766 0.000 -0.845) 1.140 12.414 ( 2.011 0.000 2.836) 3.476 12.500 ( 4.716 0.000 -1.137) 4.851 15.560 ( 3.747 0.000 3.653) 5.232 15.604 ( -6.237 -0.000 1.750) 6.478 15.690 ( -4.454 -0.000 -1.397) 4.668 15.781 ( 5.417 0.000 -5.036) 7.397 16.007 ( 1.776 0.000 -0.080) 1.778 16.060 ( 0.579 0.000 -2.511) 2.576 16.428 ( 1.797 0.000 1.684) 2.463 16.473 ( 3.153 0.000 0.154) 3.156 17.453 ( 4.357 0.000 3.079) 5.335 17.578 ( 8.088 0.000 -1.849) 8.297 17.928 ( 7.220 0.000 1.935) 7.475 18.083 ( 3.176 0.000 -5.180) 6.076 19.415 ( -8.040 -0.000 3.996) 8.978 19.522 ( -19.009 -0.000 -1.059) 19.039 27.694 ( -11.258 -0.000 3.105) 11.678 27.780 ( 17.761 0.000 8.686) 19.771 27.839 ( -11.053 -0.000 -2.693) 11.377 28.316 ( 11.902 0.000 -9.606) 15.295 28.582 ( -10.136 -0.000 1.132) 10.199 28.662 ( -6.379 -0.000 -2.072) 6.707 28.811 ( 4.343 0.000 1.167) 4.497 29.142 ( -2.920 -0.000 -22.379) 22.569 30.410 ( 0.473 0.000 -1.326) 1.407 30.420 ( 2.779 0.000 -4.888) 5.623 30.715 ( 1.119 0.000 5.450) 5.564 30.947 ( 1.048 0.000 0.238) 1.075 31.693 ( 8.141 0.000 24.091) 25.429 32.321 ( 27.170 0.000 -7.073) 28.076 33.144 ( 1.757 0.000 20.484) 20.560 33.938 ( -31.808 -0.000 -11.908) 33.964 ======================= Grid point 104 (40/75) ======================= q-point: ( 0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 11.531 -10.772 3.705) 16.209 1.649 ( 4.641 -3.622 -1.722) 6.134 2.077 ( 14.003 -8.731 20.750) 26.512 2.268 ( -12.267 6.301 15.343) 20.630 2.766 ( -6.686 4.020 -7.395) 10.750 2.837 ( 7.090 -4.700 -5.024) 9.880 3.046 ( 2.943 0.966 -0.784) 3.195 3.091 ( 11.926 1.079 -1.821) 12.112 3.157 ( -3.680 -2.817 -1.958) 5.031 3.325 ( -7.162 7.656 -1.279) 10.562 3.399 ( -3.692 2.576 3.690) 5.821 3.447 ( 3.055 -0.438 -2.212) 3.797 3.840 ( 7.613 1.459 0.997) 7.815 4.016 ( -5.252 -0.392 3.338) 6.235 4.168 ( 7.832 0.158 -3.358) 8.523 4.226 ( -6.133 -0.564 1.159) 6.267 4.262 ( -2.520 0.019 3.671) 4.453 4.424 ( 11.522 -3.274 -3.470) 12.471 4.467 ( 1.412 0.111 5.447) 5.628 4.531 ( 3.205 2.642 -0.902) 4.250 4.627 ( 6.347 -3.151 0.056) 7.086 4.775 ( -2.127 4.057 -6.941) 8.317 4.803 ( 4.712 0.182 -4.641) 6.616 4.824 ( -5.154 3.651 -6.943) 9.386 4.978 ( -1.493 -8.779 3.840) 9.698 5.484 ( -1.887 7.549 -9.299) 12.125 5.785 ( -0.568 12.230 8.313) 14.799 5.869 ( -3.876 6.568 1.715) 7.817 6.072 ( -1.853 -6.146 -1.564) 6.607 6.127 ( -1.070 1.624 -4.380) 4.792 6.208 ( 1.947 3.156 0.141) 3.711 6.357 ( 5.693 -6.458 -4.995) 9.953 6.621 ( -5.693 -3.494 5.906) 8.916 6.766 ( -4.819 -2.031 2.900) 5.980 7.137 ( -1.867 -2.814 5.111) 6.126 7.368 ( -1.481 -0.016 -2.919) 3.274 7.886 ( -4.487 -0.129 0.275) 4.497 7.894 ( -7.007 -0.555 0.118) 7.029 8.517 ( -18.721 2.570 3.291) 19.181 8.682 ( -10.480 2.739 -3.129) 11.275 10.260 ( -0.824 -0.456 0.549) 1.090 10.275 ( -3.961 -0.743 0.385) 4.049 10.688 ( -5.631 -0.494 0.794) 5.708 10.734 ( -0.492 -0.419 -0.936) 1.138 12.293 ( 0.376 0.014 0.074) 0.384 12.335 ( 0.845 -2.744 -2.218) 3.628 12.462 ( 2.948 -1.565 3.841) 5.088 12.576 ( 5.280 0.551 -1.575) 5.537 15.508 ( -6.149 -0.331 2.086) 6.502 15.606 ( -1.348 -0.057 0.381) 1.402 15.641 ( 1.560 -0.244 1.374) 2.093 15.863 ( 5.296 0.497 -5.515) 7.662 16.032 ( 2.405 1.335 0.381) 2.777 16.058 ( 0.230 1.158 -0.911) 1.492 16.418 ( 1.991 5.708 2.267) 6.456 16.506 ( 3.740 2.718 -1.204) 4.777 17.480 ( 2.834 5.234 4.057) 7.204 17.654 ( 8.122 7.374 -2.565) 11.266 18.029 ( 6.496 2.465 0.231) 6.952 18.096 ( 1.276 5.331 -2.779) 6.145 19.401 ( -10.087 -17.546 0.821) 20.256 19.432 ( -2.183 -15.385 -0.076) 15.540 27.506 ( -13.328 -0.774 2.640) 13.609 27.637 ( -15.134 -1.449 -2.547) 15.415 28.026 ( 12.872 0.191 7.782) 15.043 28.405 ( -9.768 0.214 -0.696) 9.796 28.511 ( 9.596 0.131 -5.741) 11.183 28.548 ( -7.709 -0.501 -2.531) 8.129 28.848 ( 2.187 1.710 0.590) 2.838 29.003 ( -5.750 7.953 -9.471) 13.639 30.405 ( 0.129 0.998 -1.439) 1.756 30.465 ( 2.371 -0.273 -5.491) 5.988 30.716 ( 1.094 1.724 4.816) 5.231 30.957 ( 0.129 0.357 -0.608) 0.716 31.845 ( 1.967 -10.305 25.016) 27.127 32.759 ( 18.982 -8.430 -14.222) 25.172 33.255 ( 13.935 3.405 6.971) 15.949 33.519 ( -17.151 2.713 -3.953) 17.809 ======================= Grid point 105 (41/75) ======================= q-point: ( 0.44 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 5.444 -4.356 -1.503) 7.132 1.805 ( 6.368 -11.148 -0.054) 12.839 1.978 ( -11.925 10.724 13.288) 20.827 2.413 ( 9.530 -14.543 20.473) 26.860 2.571 ( -12.974 2.976 -7.826) 15.441 2.858 ( -23.919 4.611 2.701) 24.509 2.938 ( -2.302 1.765 -3.734) 4.728 3.015 ( -8.273 8.837 5.201) 13.175 3.129 ( -4.893 -3.497 -4.515) 7.520 3.156 ( -0.928 5.579 -3.268) 6.532 3.414 ( 5.545 -6.354 5.035) 9.822 3.517 ( 5.968 1.691 -3.206) 6.983 3.810 ( -5.325 3.008 -1.523) 6.303 4.004 ( -5.472 -1.257 0.494) 5.636 4.070 ( -3.476 -1.789 2.497) 4.639 4.256 ( -0.282 5.863 -0.068) 5.870 4.318 ( 6.815 2.204 3.254) 7.867 4.442 ( -1.827 2.020 2.145) 3.467 4.519 ( -0.743 2.979 -1.837) 3.578 4.609 ( 5.436 -3.867 -3.740) 7.648 4.652 ( 1.962 3.217 -3.303) 5.011 4.714 ( -2.011 2.223 -7.134) 7.738 4.823 ( 6.894 -0.671 3.335) 7.688 4.877 ( 3.231 -3.043 -1.171) 4.590 5.115 ( 4.646 -6.730 -4.243) 9.213 5.304 ( -3.099 12.420 -5.934) 14.109 5.598 ( 0.144 16.969 5.794) 17.931 5.684 ( -5.798 10.867 0.516) 12.328 6.025 ( -9.418 1.226 -2.639) 9.857 6.081 ( -4.532 0.207 -3.955) 6.019 6.213 ( 2.875 -0.923 5.688) 6.440 6.506 ( 2.394 -4.702 -5.107) 7.343 6.623 ( -2.672 -8.333 6.519) 10.913 6.767 ( -0.619 -7.041 1.172) 7.164 7.154 ( -1.846 -5.048 3.718) 6.536 7.352 ( -0.055 0.313 -3.340) 3.355 7.772 ( -8.984 -1.834 0.816) 9.206 7.817 ( -6.851 -2.007 -0.836) 7.188 8.224 ( -16.352 0.829 4.634) 17.016 8.468 ( -13.102 1.524 -5.021) 14.114 10.196 ( -4.844 -0.769 1.377) 5.094 10.282 ( -0.364 -1.623 -2.232) 2.784 10.630 ( -3.542 -1.900 3.171) 5.119 10.749 ( 0.803 -1.731 -1.815) 2.634 12.294 ( -0.684 -0.655 0.873) 1.288 12.360 ( -0.806 -1.308 -2.039) 2.553 12.542 ( 3.539 -2.973 2.885) 5.449 12.645 ( 5.049 1.443 -1.590) 5.486 15.427 ( -5.000 -0.598 2.192) 5.492 15.560 ( -2.585 0.253 -3.685) 4.508 15.706 ( 4.364 -0.440 4.431) 6.234 15.925 ( 3.880 1.337 -5.443) 6.817 16.040 ( -0.385 1.414 0.433) 1.528 16.050 ( 2.767 2.558 0.640) 3.822 16.360 ( 1.619 8.436 3.530) 9.286 16.528 ( 4.241 3.948 -3.284) 6.660 17.426 ( 1.601 8.761 4.971) 10.199 17.671 ( 7.694 9.678 -4.684) 13.222 18.005 ( -0.950 6.725 0.981) 6.862 18.078 ( 3.886 2.949 -1.572) 5.126 19.573 ( -2.302 -24.101 2.450) 24.334 19.688 ( 4.167 -22.809 -2.153) 23.286 27.308 ( -13.668 -1.200 1.976) 13.862 27.413 ( -17.579 -3.467 -2.239) 18.057 28.126 ( -0.178 1.876 4.489) 4.869 28.225 ( -11.538 1.042 0.610) 11.601 28.472 ( -0.839 -1.085 -0.457) 1.445 28.646 ( 6.546 2.304 -8.180) 10.727 28.846 ( -1.779 4.523 0.402) 4.877 28.851 ( 0.607 1.486 0.005) 1.605 30.395 ( -0.034 0.694 -0.614) 0.927 30.491 ( 1.688 1.508 -2.222) 3.172 30.717 ( 0.427 0.042 0.104) 0.441 30.939 ( -0.018 2.722 -2.329) 3.582 31.979 ( -1.784 -11.624 20.997) 24.066 32.884 ( -10.302 0.225 -18.378) 21.069 33.486 ( 20.273 0.215 3.316) 20.544 33.527 ( 16.353 -3.526 2.991) 16.994 ======================= Grid point 106 (42/75) ======================= q-point: (-0.44 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -13.490 13.362 9.034) 21.026 1.768 ( 1.665 1.761 -4.944) 5.506 2.017 ( 5.270 -3.650 0.146) 6.412 2.209 ( -33.191 5.129 7.032) 34.313 2.258 ( -32.244 0.147 1.735) 32.291 2.713 ( 7.800 1.028 17.720) 19.388 2.799 ( -3.494 3.044 0.195) 4.638 2.895 ( -5.756 3.286 0.689) 6.663 3.043 ( -7.039 -10.504 -8.433) 15.198 3.108 ( 0.858 5.951 -0.983) 6.092 3.568 ( -4.214 -2.709 2.502) 5.599 3.600 ( -0.069 6.611 -2.150) 6.953 3.656 ( 3.269 -5.293 2.876) 6.854 3.895 ( -6.619 1.645 -4.535) 8.191 4.026 ( -5.278 3.192 1.394) 6.323 4.189 ( 0.674 -0.645 -0.475) 1.047 4.314 ( -0.860 4.671 -0.756) 4.809 4.388 ( -1.278 7.376 4.087) 8.529 4.477 ( 1.217 3.396 -4.299) 5.612 4.550 ( -5.132 2.218 -1.387) 5.760 4.672 ( -3.122 1.432 -2.110) 4.031 4.803 ( 7.602 -0.386 5.569) 9.432 4.850 ( 5.317 8.156 1.750) 9.892 4.965 ( 7.942 -0.151 0.884) 7.992 5.169 ( 4.572 3.256 -8.340) 10.053 5.265 ( -1.266 2.974 -8.766) 9.343 5.413 ( 1.465 8.209 3.292) 8.965 5.495 ( -2.960 6.751 -0.865) 7.422 5.831 ( -13.311 0.552 -0.754) 13.344 5.950 ( -7.864 3.286 -2.893) 9.000 6.284 ( 2.877 -1.672 4.132) 5.305 6.551 ( -0.299 -2.554 -3.950) 4.713 6.690 ( -0.761 -5.411 8.189) 9.845 6.932 ( 5.349 -12.466 -0.306) 13.569 7.199 ( -1.288 -5.840 1.882) 6.269 7.376 ( 3.411 -1.107 -2.582) 4.419 7.669 ( -8.574 -3.949 1.120) 9.506 7.745 ( -7.290 -5.138 -1.660) 9.072 7.994 ( -13.764 -1.395 4.963) 14.698 8.256 ( -14.203 -1.642 -5.473) 15.310 10.141 ( -3.732 -1.281 2.186) 4.511 10.295 ( -0.673 -2.082 -4.934) 5.397 10.625 ( -1.284 -3.288 5.475) 6.514 10.799 ( 1.542 -3.344 -2.465) 4.431 12.289 ( -1.132 -0.889 1.132) 1.831 12.345 ( -1.427 0.632 -1.026) 1.868 12.630 ( 2.988 -2.759 1.267) 4.260 12.695 ( 4.178 2.135 -1.177) 4.837 15.369 ( -3.434 -0.733 2.462) 4.288 15.528 ( -1.132 0.424 -4.651) 4.806 15.776 ( 4.270 -0.021 4.138) 5.946 15.944 ( 1.406 2.323 -3.496) 4.427 16.002 ( -1.713 2.163 1.468) 3.126 16.065 ( 3.274 2.953 -0.782) 4.478 16.266 ( 0.446 9.628 4.997) 10.857 16.536 ( 3.877 5.498 -5.969) 8.994 17.340 ( 0.929 7.968 5.858) 9.934 17.662 ( 4.392 7.370 -8.385) 11.997 17.943 ( 1.763 3.606 4.988) 6.402 18.105 ( 2.420 0.334 -2.859) 3.760 19.853 ( 2.413 -20.861 5.034) 21.595 20.077 ( 8.662 -24.513 -4.125) 26.324 27.119 ( -12.127 -0.855 1.023) 12.200 27.182 ( -17.897 -3.931 -1.526) 18.387 28.007 ( -9.442 1.823 1.389) 9.716 28.038 ( -9.926 1.949 0.193) 10.117 28.528 ( 4.477 -0.698 0.753) 4.593 28.614 ( -1.400 5.594 -2.477) 6.276 28.850 ( 0.601 0.237 0.170) 0.668 28.876 ( 4.845 -1.417 -0.968) 5.140 30.387 ( -0.111 0.533 0.625) 0.829 30.479 ( 0.880 3.682 1.781) 4.184 30.726 ( -0.326 -1.178 -4.907) 5.057 30.894 ( -0.002 4.659 -4.130) 6.226 32.070 ( -2.689 -9.251 15.450) 18.208 32.662 ( -9.446 7.466 -9.541) 15.362 33.780 ( 20.130 0.726 4.735) 20.692 33.957 ( 19.253 -15.164 -2.387) 24.624 ======================= Grid point 107 (43/75) ======================= q-point: (-0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -20.256 12.424 8.218) 25.143 1.505 ( -25.163 16.743 13.536) 33.117 1.660 ( -22.612 5.295 -9.854) 25.228 1.831 ( -5.398 5.016 -8.795) 11.474 2.179 ( 1.841 -5.348 17.275) 18.178 2.652 ( -3.498 8.253 -0.091) 8.964 2.709 ( -4.537 8.926 -0.309) 10.018 2.840 ( 6.375 0.645 14.952) 16.267 2.974 ( -1.849 7.845 2.426) 8.417 3.240 ( -3.658 -12.148 -14.054) 18.934 3.267 ( -11.948 2.633 -1.359) 12.310 3.675 ( -4.811 15.776 -7.593) 18.157 3.685 ( 4.266 0.750 1.212) 4.498 3.794 ( 6.549 2.154 4.377) 8.166 3.950 ( -5.116 -2.232 5.473) 7.817 4.149 ( -2.692 5.572 -1.262) 6.316 4.238 ( -0.214 8.864 3.312) 9.465 4.254 ( -1.507 2.021 4.982) 5.583 4.455 ( 0.682 3.630 -8.384) 9.161 4.543 ( -1.487 -1.655 0.267) 2.241 4.569 ( -2.466 -5.978 2.172) 6.822 4.877 ( 3.153 0.699 8.413) 9.011 4.894 ( 3.371 8.373 -0.033) 9.026 5.011 ( 3.555 4.825 -9.534) 11.261 5.161 ( 4.712 6.390 -3.471) 8.665 5.210 ( 0.448 -1.373 -6.529) 6.687 5.408 ( 1.069 1.486 0.150) 1.836 5.455 ( -1.654 -1.369 -2.700) 3.450 5.638 ( -11.285 -2.478 2.762) 11.879 5.812 ( -4.899 0.894 -1.880) 5.323 6.328 ( 1.780 0.814 2.370) 3.074 6.576 ( 0.098 -1.741 -5.785) 6.042 6.726 ( -0.154 -2.118 8.437) 8.700 7.183 ( 6.218 -9.487 -9.517) 14.807 7.252 ( 2.255 -6.478 8.813) 11.168 7.488 ( 6.021 -3.221 -0.269) 6.834 7.606 ( -7.584 -6.405 1.312) 10.013 7.742 ( -3.418 -9.914 -1.702) 10.623 7.833 ( -9.861 -2.168 4.601) 11.095 8.071 ( -14.187 -4.096 -4.519) 15.443 10.112 ( -2.088 -1.478 2.871) 3.846 10.315 ( -0.360 -2.571 -6.749) 7.231 10.661 ( -0.071 -4.082 6.932) 8.045 10.869 ( 1.300 -4.345 -2.931) 5.400 12.283 ( -0.887 -0.699 0.697) 1.327 12.309 ( -1.026 1.924 -0.066) 2.181 12.687 ( 1.766 -0.137 0.299) 1.796 12.721 ( 2.526 2.294 -0.518) 3.451 15.338 ( -1.775 -0.721 2.704) 3.315 15.509 ( -0.418 0.836 -4.916) 5.004 15.832 ( 3.449 0.958 2.974) 4.654 15.921 ( -0.119 2.592 -0.932) 2.757 15.941 ( -2.121 2.429 2.172) 3.888 16.072 ( 2.193 3.207 -2.308) 4.519 16.155 ( -0.629 7.844 5.434) 9.563 16.511 ( 2.406 6.845 -9.030) 11.584 17.276 ( 0.443 4.181 6.594) 7.820 17.636 ( 0.995 3.471 -9.911) 10.548 17.966 ( 4.042 1.107 5.650) 7.035 18.146 ( 1.501 -1.720 -3.426) 4.117 20.117 ( 3.549 -14.285 9.602) 17.574 20.526 ( 9.486 -25.921 -7.499) 28.602 26.965 ( -11.696 -1.353 -0.244) 11.776 26.967 ( -10.229 -0.786 -0.242) 10.262 27.847 ( -7.379 1.758 1.022) 7.654 27.887 ( -5.863 2.251 -0.556) 6.305 28.530 ( -1.042 4.691 1.144) 4.940 28.592 ( 2.458 -0.693 -1.387) 2.906 28.861 ( 0.609 -0.472 1.536) 1.718 28.965 ( 3.268 -1.886 -2.714) 4.648 30.377 ( -0.199 0.769 1.740) 1.913 30.436 ( 0.173 4.542 3.142) 5.525 30.722 ( -0.618 1.466 -5.475) 5.702 30.839 ( -0.068 3.387 -7.366) 8.108 32.118 ( -1.943 -4.645 9.039) 10.346 32.435 ( -4.419 12.365 -3.970) 13.717 34.090 ( 15.671 -5.442 9.282) 19.009 34.432 ( 12.420 -21.858 -5.004) 25.633 ======================= Grid point 108 (44/75) ======================= q-point: (-0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.836 ( -0.000 10.190 11.900) 15.666 1.100 ( -0.000 18.018 22.231) 28.616 1.322 ( -0.000 9.931 -8.572) 13.119 1.755 ( -0.000 8.443 -12.485) 15.072 2.217 ( -0.000 2.181 22.159) 22.266 2.507 ( -0.000 10.496 -0.876) 10.532 2.532 ( -0.000 13.578 -1.068) 13.620 2.885 ( -0.000 4.185 4.439) 6.101 2.907 ( -0.000 0.504 14.292) 14.301 3.042 ( -0.000 6.188 -2.351) 6.620 3.184 ( -0.000 21.805 -14.477) 26.173 3.560 ( 0.000 -8.512 -12.163) 14.845 3.741 ( 0.000 -0.273 2.694) 2.708 3.840 ( -0.000 3.110 6.622) 7.316 3.891 ( 0.000 -1.156 3.844) 4.014 4.056 ( -0.000 5.951 -1.106) 6.053 4.133 ( -0.000 8.497 1.593) 8.645 4.240 ( 0.000 -0.849 -1.085) 1.377 4.414 ( -0.000 3.010 -11.146) 11.546 4.519 ( -0.000 0.411 13.605) 13.611 4.680 ( 0.000 -4.719 -10.046) 11.099 4.825 ( -0.000 0.118 4.176) 4.178 4.885 ( -0.000 1.396 10.370) 10.464 5.008 ( -0.000 1.323 -10.058) 10.145 5.151 ( -0.000 0.220 -3.444) 3.451 5.273 ( 0.000 -1.865 -8.995) 9.186 5.343 ( -0.000 2.729 2.317) 3.579 5.446 ( -0.000 2.134 -1.923) 2.872 5.616 ( 0.000 -8.145 6.050) 10.146 5.801 ( 0.000 -4.262 -0.823) 4.341 6.309 ( -0.000 4.641 3.189) 5.631 6.588 ( -0.000 0.401 -8.483) 8.493 6.750 ( 0.000 -2.493 5.835) 6.345 7.233 ( -0.000 0.667 -11.790) 11.808 7.543 ( 0.000 -2.646 0.696) 2.736 7.546 ( 0.000 -19.940 11.306) 22.922 7.587 ( 0.000 -2.312 -1.285) 2.645 7.755 ( 0.000 -0.073 3.746) 3.747 7.930 ( -0.000 0.173 -3.493) 3.497 7.936 ( 0.000 -19.267 2.957) 19.493 10.114 ( 0.000 -1.504 3.309) 3.635 10.344 ( 0.000 -2.673 -7.674) 8.126 10.711 ( 0.000 -4.046 7.538) 8.555 10.934 ( 0.000 -4.341 -3.118) 5.345 12.264 ( -0.000 2.699 0.523) 2.749 12.290 ( 0.000 -0.371 -0.133) 0.395 12.681 ( -0.000 3.530 0.283) 3.542 12.710 ( -0.000 3.172 -0.102) 3.174 15.332 ( 0.000 -0.620 2.572) 2.646 15.493 ( -0.000 1.239 -4.472) 4.640 15.845 ( -0.000 1.852 1.021) 2.114 15.889 ( -0.000 1.664 4.511) 4.808 15.903 ( -0.000 0.871 -1.291) 1.557 16.051 ( -0.000 3.230 -2.582) 4.135 16.082 ( -0.000 2.563 3.990) 4.742 16.445 ( -0.000 7.185 -11.294) 13.385 17.252 ( -0.000 0.698 6.806) 6.842 17.613 ( -0.000 1.689 -10.112) 10.252 18.003 ( 0.000 -0.371 4.902) 4.916 18.180 ( 0.000 -1.369 -4.091) 4.314 20.278 ( 0.000 -6.629 15.927) 17.251 20.938 ( 0.000 -26.531 -12.673) 29.403 26.846 ( -0.000 0.287 0.982) 1.024 26.897 ( -0.000 0.571 -1.050) 1.195 27.764 ( -0.000 1.788 1.029) 2.063 27.814 ( -0.000 2.118 -0.977) 2.332 28.469 ( -0.000 4.317 2.595) 5.037 28.621 ( 0.000 -1.090 -3.800) 3.953 28.873 ( 0.000 -0.364 2.641) 2.666 29.009 ( 0.000 -0.974 -3.266) 3.408 30.363 ( -0.000 1.262 2.268) 2.596 30.385 ( -0.000 3.633 2.466) 4.391 30.668 ( -0.000 5.798 -2.868) 6.468 30.825 ( 0.000 -0.719 -11.023) 11.047 32.103 ( -0.000 6.673 0.976) 6.744 32.239 ( -0.000 12.935 -0.887) 12.965 34.348 ( 0.000 -13.888 16.145) 21.296 34.826 ( 0.000 -25.894 -5.771) 26.530 ======================= Grid point 113 (45/75) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.527 ( 8.708 0.000 4.383) 9.749 1.666 ( 0.450 0.000 -1.495) 1.561 2.136 ( -10.747 -0.000 16.188) 19.430 2.222 ( 10.182 0.000 19.438) 21.944 2.601 ( -16.074 -0.000 -8.522) 18.194 2.895 ( 4.343 0.000 -2.326) 4.926 2.958 ( -16.965 -0.000 1.605) 17.041 3.075 ( -4.946 -0.000 -4.202) 6.490 3.162 ( -14.901 -0.000 9.455) 17.648 3.264 ( 4.702 0.000 -1.953) 5.091 3.338 ( -2.553 -0.000 3.643) 4.449 3.536 ( 5.724 0.000 -7.794) 9.670 3.904 ( -0.306 -0.000 -7.380) 7.386 3.998 ( -12.180 -0.000 2.143) 12.367 4.029 ( 3.537 0.000 3.931) 5.288 4.305 ( 4.370 0.000 -9.326) 10.299 4.346 ( 6.070 0.000 -1.602) 6.278 4.483 ( 0.464 0.000 -3.770) 3.799 4.498 ( 1.871 0.000 9.091) 9.281 4.628 ( 3.612 0.000 -9.492) 10.156 4.658 ( 0.370 0.000 -3.601) 3.620 4.757 ( -1.221 -0.000 -6.718) 6.828 4.790 ( -2.222 -0.000 8.484) 8.770 4.848 ( 4.349 0.000 11.705) 12.487 4.996 ( 11.779 0.000 -4.439) 12.588 5.500 ( -2.397 -0.000 -11.572) 11.817 5.831 ( -2.549 -0.000 4.292) 4.992 5.902 ( -7.190 -0.000 -0.752) 7.230 5.917 ( -0.830 -0.000 6.976) 7.025 6.161 ( -0.389 -0.000 -3.112) 3.136 6.294 ( 3.464 0.000 -2.096) 4.049 6.319 ( -1.423 -0.000 -3.286) 3.581 6.503 ( -5.793 -0.000 6.139) 8.440 6.670 ( -5.055 -0.000 0.241) 5.061 7.088 ( -2.025 -0.000 6.098) 6.425 7.354 ( -0.199 -0.000 -4.086) 4.091 7.749 ( -9.820 -0.000 0.797) 9.852 7.795 ( -7.636 -0.000 -1.081) 7.712 8.241 ( -17.804 -0.000 5.222) 18.554 8.493 ( -15.046 -0.000 -4.889) 15.820 10.186 ( -5.153 -0.000 1.554) 5.383 10.259 ( -0.254 -0.000 -1.377) 1.400 10.605 ( -4.246 -0.000 2.702) 5.033 10.727 ( 0.046 0.000 -2.255) 2.255 12.297 ( -0.268 -0.000 -0.251) 0.367 12.326 ( 0.366 0.000 -2.500) 2.527 12.501 ( 3.153 0.000 5.271) 6.142 12.662 ( 5.172 0.000 -2.324) 5.670 15.419 ( -4.946 -0.000 2.513) 5.548 15.564 ( -2.457 -0.000 -3.741) 4.475 15.700 ( 4.680 0.000 4.688) 6.624 15.942 ( 4.532 0.000 -6.166) 7.652 16.059 ( -0.891 -0.000 0.617) 1.084 16.085 ( 3.083 0.000 0.222) 3.091 16.471 ( 0.822 0.000 2.585) 2.712 16.569 ( 2.895 0.000 -1.382) 3.208 17.554 ( 1.629 0.000 4.883) 5.147 17.804 ( 5.609 0.000 -5.177) 7.633 18.178 ( 8.219 0.000 -0.010) 8.219 18.195 ( 3.969 0.000 -0.875) 4.065 19.144 ( -6.228 -0.000 3.735) 7.262 19.323 ( 1.545 0.000 -3.391) 3.727 27.294 ( -13.219 -0.000 1.644) 13.320 27.372 ( -17.021 -0.000 -1.489) 17.086 28.151 ( 0.062 0.000 4.655) 4.656 28.237 ( -10.991 -0.000 0.656) 11.010 28.460 ( -0.465 -0.000 -0.151) 0.489 28.662 ( 7.952 0.000 -6.834) 10.485 28.868 ( -0.305 -0.000 0.153) 0.341 28.924 ( -8.075 -0.000 -3.697) 8.881 30.408 ( -0.348 -0.000 -1.447) 1.488 30.501 ( 2.275 0.000 -8.801) 9.091 30.743 ( 0.666 0.000 6.989) 7.021 30.960 ( 0.144 0.000 2.493) 2.497 31.825 ( 2.261 0.000 20.938) 21.059 32.848 ( -2.847 -0.000 -23.663) 23.834 33.465 ( 9.740 0.000 7.606) 12.358 33.530 ( 17.798 0.000 1.686) 17.877 ======================= Grid point 114 (46/75) ======================= q-point: (-0.56 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -1.822 -3.255 3.930) 5.419 1.732 ( 5.005 -13.072 2.625) 14.242 1.889 ( -18.589 3.494 6.188) 19.901 2.273 ( -24.914 0.769 -8.501) 26.336 2.337 ( -6.748 -0.192 23.899) 24.834 2.593 ( -9.543 4.725 11.993) 16.038 2.919 ( -5.752 0.129 2.859) 6.425 2.970 ( -7.916 3.355 2.516) 8.958 3.052 ( -1.994 -0.298 -5.840) 6.178 3.189 ( -0.982 -0.092 -4.995) 5.092 3.398 ( 1.385 -3.553 3.172) 4.960 3.559 ( -3.902 -0.110 -4.902) 6.266 3.805 ( -3.421 7.846 -4.320) 9.588 3.892 ( -4.119 -0.462 -1.649) 4.461 4.068 ( 1.468 0.167 0.228) 1.495 4.256 ( -5.958 1.962 -9.978) 11.786 4.362 ( -3.306 0.211 -5.035) 6.027 4.505 ( 1.383 2.155 3.310) 4.185 4.545 ( -3.884 -1.531 -7.597) 8.668 4.570 ( 3.521 1.639 -0.733) 3.952 4.684 ( 2.180 1.279 3.937) 4.679 4.784 ( 5.974 -0.110 6.369) 8.733 4.909 ( 9.528 -1.873 0.947) 9.756 4.952 ( 8.882 -0.282 6.018) 10.732 5.202 ( 11.292 -2.202 -4.756) 12.449 5.403 ( -2.180 9.733 -10.832) 14.724 5.711 ( -5.579 6.788 2.678) 9.186 5.777 ( -3.399 7.217 2.206) 8.276 5.849 ( -7.915 4.868 3.739) 10.016 6.087 ( -3.938 8.577 -4.963) 10.663 6.227 ( -0.311 -0.231 4.115) 4.133 6.444 ( -0.722 -7.624 -3.233) 8.313 6.487 ( -0.619 -9.410 4.166) 10.309 6.649 ( -2.276 -7.685 -1.247) 8.112 7.080 ( -1.090 -2.829 6.570) 7.236 7.367 ( 1.976 -0.159 -4.791) 5.184 7.607 ( -9.143 -1.258 1.027) 9.286 7.671 ( -8.741 -1.352 -1.737) 9.014 7.990 ( -14.031 0.232 5.370) 15.025 8.249 ( -15.486 0.224 -5.161) 16.325 10.119 ( -3.742 -0.475 2.224) 4.379 10.256 ( -0.817 -0.958 -3.913) 4.110 10.564 ( -2.141 -1.449 4.905) 5.545 10.739 ( 0.492 -1.369 -2.801) 3.156 12.285 ( -0.532 0.603 0.145) 0.817 12.336 ( -0.469 -1.113 -2.537) 2.810 12.558 ( 2.586 -2.056 5.160) 6.127 12.730 ( 4.012 0.736 -2.584) 4.829 15.357 ( -3.334 -0.281 2.895) 4.425 15.537 ( -0.831 0.254 -5.202) 5.274 15.776 ( 4.923 -0.015 4.734) 6.830 15.994 ( 2.968 1.457 -5.532) 6.445 16.033 ( -1.856 0.556 2.060) 2.828 16.123 ( 3.011 1.521 -0.773) 3.460 16.453 ( 0.243 4.280 3.753) 5.698 16.606 ( 2.468 0.780 -2.542) 3.627 17.537 ( 0.533 4.810 5.470) 7.303 17.845 ( 3.370 4.595 -7.773) 9.638 18.147 ( 2.412 13.291 2.753) 13.786 18.228 ( 5.685 9.094 -1.283) 10.801 19.251 ( -0.782 -23.658 4.988) 24.191 19.495 ( 4.702 -18.915 -4.873) 20.091 27.106 ( -11.054 -0.256 0.459) 11.067 27.126 ( -15.333 -1.020 -0.330) 15.371 28.044 ( -9.909 0.921 1.196) 10.023 28.073 ( -9.370 0.821 -0.131) 9.407 28.520 ( 5.450 -0.081 2.253) 5.898 28.708 ( -2.289 1.885 -5.462) 6.215 28.851 ( 1.151 -0.195 0.218) 1.187 28.856 ( -0.558 0.016 -0.092) 0.566 30.401 ( -0.026 0.458 -1.110) 1.201 30.530 ( 1.650 0.477 -7.734) 7.923 30.738 ( 0.435 1.813 5.833) 6.124 30.960 ( 0.159 0.654 1.383) 1.538 31.884 ( 1.136 -4.581 17.082) 17.722 32.743 ( -7.835 0.514 -18.829) 20.400 33.718 ( 16.145 -4.577 5.071) 17.531 33.793 ( 16.041 0.271 0.662) 16.057 ======================= Grid point 115 (47/75) ======================= q-point: (-0.44 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -29.209 4.513 6.424) 30.246 1.699 ( -6.537 -3.469 6.991) 10.180 1.820 ( -21.225 -0.555 -0.735) 21.245 1.999 ( -3.741 8.694 0.465) 9.476 2.015 ( -0.966 -1.049 10.830) 10.924 2.707 ( 4.106 -12.096 15.950) 20.435 2.794 ( -6.976 -0.589 4.871) 8.528 2.828 ( -4.667 3.747 1.323) 6.130 2.958 ( 0.233 5.956 -7.038) 9.223 3.208 ( 0.865 7.166 -2.079) 7.511 3.396 ( -12.018 3.702 -1.978) 12.729 3.531 ( -0.106 -19.053 0.878) 19.073 3.720 ( 3.220 5.911 -4.093) 7.878 3.850 ( -1.506 -0.061 1.522) 2.142 4.018 ( -3.160 6.977 -8.708) 11.598 4.190 ( -0.239 0.123 -5.944) 5.950 4.317 ( -1.787 -2.409 -2.350) 3.810 4.465 ( -0.115 5.017 5.341) 7.329 4.505 ( -3.115 2.169 -1.262) 4.001 4.584 ( 3.176 5.675 -3.782) 7.523 4.648 ( -1.932 3.262 3.361) 5.067 4.898 ( 5.440 0.832 7.124) 9.002 5.051 ( 8.854 4.553 -0.576) 9.973 5.108 ( 9.106 -1.075 2.402) 9.479 5.241 ( 0.574 8.945 -10.360) 13.699 5.365 ( 7.087 2.687 -5.590) 9.418 5.530 ( -4.291 10.404 1.286) 11.328 5.602 ( -0.805 14.646 2.332) 14.853 5.611 ( -14.331 1.424 2.296) 14.583 5.896 ( -6.093 6.830 -4.301) 10.113 6.279 ( 1.135 -4.272 3.719) 5.777 6.492 ( -1.026 -5.295 -1.200) 5.525 6.610 ( 0.623 -7.948 4.558) 9.183 6.805 ( 1.709 -16.941 -2.171) 17.165 7.120 ( -0.073 -5.021 6.252) 8.019 7.426 ( 4.682 -1.533 -4.785) 6.868 7.508 ( -6.156 -2.315 0.990) 6.651 7.581 ( -6.310 -3.573 -2.271) 7.599 7.815 ( -8.230 -0.160 4.435) 9.351 8.033 ( -11.746 -0.363 -4.545) 12.600 10.083 ( -1.953 -0.856 2.640) 3.393 10.261 ( -0.622 -1.762 -5.731) 6.028 10.571 ( -0.619 -3.021 6.409) 7.113 10.775 ( 0.595 -3.094 -3.061) 4.393 12.272 ( -0.512 0.169 0.718) 0.898 12.334 ( -0.601 0.011 -1.857) 1.952 12.625 ( 1.486 -3.505 3.617) 5.251 12.766 ( 2.242 1.325 -2.315) 3.485 15.323 ( -1.661 -0.482 3.198) 3.636 15.527 ( 0.003 0.568 -6.020) 6.046 15.848 ( 4.482 0.367 3.779) 5.875 15.980 ( -2.308 1.487 2.815) 3.932 16.001 ( 0.425 2.925 -2.868) 4.119 16.141 ( 2.180 2.290 -2.474) 4.015 16.379 ( -0.129 7.918 5.434) 9.604 16.623 ( 1.642 2.026 -4.607) 5.294 17.464 ( 0.565 8.592 5.648) 10.298 17.786 ( 0.345 8.957 -8.503) 12.355 18.056 ( 2.692 6.825 4.037) 8.374 18.181 ( 2.456 7.575 -2.309) 8.291 19.584 ( 1.324 -27.947 5.907) 28.596 19.860 ( 4.604 -27.471 -5.377) 28.369 26.936 ( -10.045 -0.612 0.637) 10.084 26.968 ( -6.677 0.077 -0.656) 6.710 27.888 ( -7.244 1.425 1.121) 7.468 27.939 ( -5.532 1.805 -0.939) 5.894 28.587 ( 2.905 0.079 0.972) 3.064 28.625 ( -2.748 2.941 -0.455) 4.050 28.848 ( -0.236 -0.441 0.506) 0.711 28.912 ( 2.559 -2.055 -2.102) 3.897 30.395 ( 0.103 0.722 -0.287) 0.784 30.533 ( 0.844 2.504 -2.831) 3.872 30.723 ( 0.084 0.965 0.720) 1.207 30.942 ( 0.148 2.874 -1.086) 3.076 31.959 ( 0.037 -6.300 14.774) 16.061 32.624 ( -4.078 3.709 -12.771) 13.910 34.009 ( 10.429 -1.894 1.465) 10.700 34.023 ( 9.967 -11.279 1.244) 15.103 ======================= Grid point 116 (48/75) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.045 ( -0.000 7.047 10.286) 12.468 1.526 ( -0.000 6.731 -9.868) 11.945 1.606 ( -0.000 17.132 23.417) 29.015 1.833 ( -0.000 3.015 -3.180) 4.382 2.148 ( 0.000 -6.149 3.276) 6.967 2.696 ( -0.000 3.859 1.854) 4.281 2.741 ( -0.000 4.338 1.265) 4.519 2.910 ( 0.000 -0.602 22.597) 22.605 3.004 ( 0.000 -19.504 -13.005) 23.443 3.085 ( -0.000 11.404 0.700) 11.425 3.207 ( -0.000 7.203 -3.047) 7.821 3.708 ( 0.000 -0.279 -0.316) 0.422 3.752 ( 0.000 -8.178 -5.256) 9.721 3.852 ( 0.000 -1.667 5.981) 6.209 3.885 ( -0.000 6.260 -8.097) 10.235 4.169 ( -0.000 2.702 -7.021) 7.523 4.358 ( -0.000 14.457 12.481) 19.099 4.370 ( -0.000 10.191 2.127) 10.411 4.400 ( 0.000 -10.167 -0.875) 10.205 4.532 ( -0.000 6.636 -6.748) 9.464 4.577 ( -0.000 4.614 2.521) 5.257 4.920 ( -0.000 1.627 9.678) 9.814 5.040 ( -0.000 5.877 -9.287) 10.990 5.161 ( -0.000 0.359 -2.690) 2.713 5.176 ( -0.000 16.694 -6.030) 17.750 5.347 ( -0.000 5.934 -7.011) 9.185 5.405 ( -0.000 2.140 1.406) 2.561 5.478 ( -0.000 0.504 -1.460) 1.545 5.487 ( -0.000 1.228 7.096) 7.201 5.784 ( -0.000 2.739 -3.432) 4.392 6.331 ( 0.000 -2.380 1.713) 2.932 6.541 ( 0.000 -3.879 -3.282) 5.082 6.691 ( 0.000 -4.409 8.158) 9.273 7.048 ( 0.000 -19.095 -3.415) 19.398 7.188 ( 0.000 -5.985 6.391) 8.755 7.481 ( 0.000 -2.335 0.814) 2.473 7.532 ( 0.000 -2.076 -1.392) 2.499 7.576 ( 0.000 -9.535 -4.968) 10.752 7.751 ( 0.000 -0.235 3.737) 3.745 7.931 ( 0.000 -0.018 -3.690) 3.690 10.080 ( 0.000 -1.174 2.929) 3.156 10.281 ( 0.000 -2.401 -6.649) 7.070 10.610 ( 0.000 -4.013 7.038) 8.101 10.826 ( 0.000 -4.249 -3.145) 5.287 12.269 ( 0.000 -0.419 0.967) 1.054 12.321 ( -0.000 1.228 -0.906) 1.526 12.679 ( 0.000 -3.061 1.745) 3.523 12.765 ( -0.000 1.829 -1.582) 2.418 15.317 ( 0.000 -0.598 3.179) 3.235 15.519 ( -0.000 0.891 -5.890) 5.957 15.888 ( -0.000 1.118 1.035) 1.523 15.928 ( -0.000 1.517 5.859) 6.052 15.962 ( -0.000 3.605 -2.049) 4.147 16.128 ( -0.000 2.934 -3.100) 4.268 16.266 ( -0.000 10.199 6.411) 12.047 16.598 ( -0.000 4.494 -7.162) 8.455 17.360 ( -0.000 8.648 6.029) 10.542 17.694 ( -0.000 5.910 -8.293) 10.183 18.027 ( -0.000 3.278 3.245) 4.613 18.148 ( -0.000 0.879 -2.549) 2.696 19.912 ( 0.000 -23.484 7.702) 24.714 20.251 ( 0.000 -29.846 -6.331) 30.510 26.853 ( -0.000 0.221 1.122) 1.143 26.910 ( -0.000 0.474 -1.184) 1.275 27.809 ( -0.000 1.818 1.235) 2.198 27.870 ( -0.000 2.337 -1.206) 2.630 28.566 ( -0.000 3.479 1.033) 3.629 28.609 ( 0.000 -0.043 -0.622) 0.623 28.856 ( 0.000 -0.845 1.452) 1.680 28.961 ( 0.000 -2.555 -2.742) 3.748 30.386 ( -0.000 0.859 0.784) 1.163 30.495 ( -0.000 4.581 1.958) 4.982 30.721 ( 0.000 -0.305 -4.650) 4.660 30.895 ( -0.000 4.919 -3.830) 6.234 32.036 ( 0.000 -6.550 12.737) 14.322 32.524 ( -0.000 7.876 -7.795) 11.081 34.137 ( 0.000 -4.978 3.841) 6.288 34.282 ( 0.000 -18.029 -1.964) 18.135 ======================= Grid point 123 (49/75) ======================= q-point: ( 0.44 -0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.463 ( -30.089 -0.000 6.535) 30.790 1.625 ( -1.889 -0.000 8.815) 9.015 1.698 ( 0.959 0.000 0.002) 0.959 1.897 ( -20.313 -0.000 -8.609) 22.062 2.293 ( -2.935 -0.000 27.305) 27.462 2.585 ( 1.641 0.000 14.845) 14.935 2.795 ( -8.388 -0.000 5.460) 10.008 2.872 ( -6.395 -0.000 1.235) 6.513 3.028 ( 0.834 0.000 -6.603) 6.655 3.177 ( 0.932 0.000 -5.221) 5.303 3.368 ( -3.294 -0.000 -1.159) 3.492 3.443 ( -8.446 -0.000 -3.714) 9.226 3.821 ( -0.621 -0.000 6.218) 6.249 3.874 ( 0.141 0.000 -9.945) 9.946 4.125 ( 4.430 0.000 -3.361) 5.561 4.165 ( -4.837 -0.000 -14.220) 15.020 4.286 ( -5.399 -0.000 -5.898) 7.996 4.388 ( -5.985 -0.000 -11.435) 12.907 4.594 ( 1.435 0.000 2.862) 3.202 4.648 ( 4.093 0.000 -0.882) 4.186 4.719 ( 0.401 0.000 18.334) 18.338 4.911 ( 8.532 0.000 4.143) 9.485 5.069 ( 9.785 0.000 -2.984) 10.230 5.087 ( 9.472 0.000 9.348) 13.308 5.350 ( 7.749 0.000 -7.073) 10.492 5.444 ( -0.094 -0.000 -8.890) 8.891 5.580 ( -12.498 -0.000 0.962) 12.535 5.704 ( -5.310 -0.000 -3.871) 6.571 5.909 ( -0.203 -0.000 9.060) 9.063 6.139 ( -0.581 -0.000 -2.408) 2.478 6.183 ( -4.922 -0.000 2.177) 5.382 6.376 ( 1.491 0.000 -4.877) 5.099 6.390 ( -1.227 -0.000 5.410) 5.548 6.564 ( -1.532 -0.000 -2.530) 2.958 7.058 ( 0.207 0.000 8.698) 8.701 7.409 ( 3.358 0.000 -5.898) 6.787 7.481 ( -5.698 -0.000 0.961) 5.779 7.541 ( -6.183 -0.000 -1.652) 6.400 7.813 ( -8.448 -0.000 4.451) 9.548 8.031 ( -11.731 -0.000 -4.462) 12.551 10.073 ( -1.873 -0.000 2.536) 3.153 10.238 ( -0.658 -0.000 -5.237) 5.278 10.532 ( -0.836 -0.000 6.182) 6.238 10.736 ( 0.265 0.000 -3.159) 3.170 12.285 ( -0.341 -0.000 -0.224) 0.408 12.322 ( -0.286 -0.000 -2.794) 2.809 12.575 ( 1.342 0.000 6.297) 6.439 12.782 ( 2.142 0.000 -3.102) 3.770 15.317 ( -1.639 -0.000 3.413) 3.786 15.534 ( 0.054 0.000 -6.448) 6.448 15.852 ( 4.710 0.000 4.113) 6.253 15.997 ( -3.013 -0.000 4.263) 5.220 16.044 ( 1.816 0.000 -5.457) 5.751 16.171 ( 1.915 0.000 -2.581) 3.214 16.476 ( -0.259 -0.000 4.582) 4.590 16.636 ( 1.195 0.000 -2.377) 2.660 17.559 ( -0.581 -0.000 6.037) 6.065 17.905 ( 1.292 0.000 -8.792) 8.887 18.299 ( 2.071 0.000 2.712) 3.412 18.379 ( 3.833 0.000 -1.568) 4.141 19.070 ( -0.035 -0.000 7.810) 7.810 19.433 ( 3.451 0.000 -7.017) 7.820 26.929 ( -9.031 -0.000 0.830) 9.069 26.969 ( -6.294 -0.000 -0.779) 6.342 27.907 ( -7.295 -0.000 1.186) 7.391 27.963 ( -5.385 -0.000 -1.083) 5.493 28.589 ( 3.040 0.000 1.654) 3.460 28.662 ( -3.464 -0.000 -1.070) 3.626 28.843 ( -0.630 -0.000 0.114) 0.641 28.884 ( 2.208 0.000 -1.726) 2.803 30.406 ( 0.191 0.000 -1.208) 1.223 30.552 ( 0.927 0.000 -9.764) 9.808 30.757 ( 0.277 0.000 7.943) 7.948 30.965 ( 0.176 0.000 2.898) 2.903 31.878 ( 1.057 0.000 14.195) 14.235 32.658 ( -3.681 -0.000 -17.655) 18.034 33.889 ( 9.186 0.000 5.030) 10.473 33.990 ( 9.044 0.000 -0.145) 9.045 ======================= Grid point 125 (50/75) ======================= q-point: (-0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.164 ( -0.000 2.611 9.397) 9.753 1.635 ( 0.000 -3.524 13.332) 13.790 1.637 ( -0.000 2.358 -10.619) 10.878 1.860 ( 0.000 -12.856 -1.024) 12.897 2.177 ( -0.000 14.351 21.151) 25.560 2.630 ( 0.000 -5.524 17.309) 18.169 2.721 ( 0.000 -0.078 5.424) 5.425 2.809 ( -0.000 1.315 0.555) 1.427 3.030 ( -0.000 3.102 -8.050) 8.627 3.288 ( 0.000 -15.942 -0.647) 15.955 3.300 ( -0.000 4.972 -2.803) 5.708 3.347 ( -0.000 3.525 -3.196) 4.758 3.824 ( 0.000 -0.568 7.771) 7.792 3.832 ( -0.000 6.441 -8.666) 10.798 4.076 ( -0.000 5.977 -13.874) 15.107 4.196 ( -0.000 0.217 -9.081) 9.084 4.243 ( 0.000 -4.091 -2.466) 4.776 4.395 ( 0.000 -7.461 -8.049) 10.975 4.571 ( -0.000 5.354 2.203) 5.790 4.665 ( -0.000 2.920 -2.315) 3.726 4.694 ( -0.000 4.388 16.576) 17.147 4.967 ( -0.000 1.870 6.714) 6.969 5.159 ( 0.000 -0.491 -2.275) 2.328 5.205 ( -0.000 0.728 5.755) 5.801 5.357 ( -0.000 4.927 -11.348) 12.372 5.438 ( -0.000 0.602 0.743) 0.956 5.475 ( 0.000 -0.401 -0.711) 0.816 5.593 ( -0.000 9.065 -7.520) 11.778 5.795 ( -0.000 15.733 6.793) 17.137 5.973 ( -0.000 13.900 -1.380) 13.968 6.225 ( 0.000 -5.695 3.611) 6.743 6.406 ( 0.000 -6.451 0.947) 6.520 6.514 ( 0.000 -10.223 -0.670) 10.245 6.620 ( 0.000 -12.635 -2.226) 12.830 7.076 ( 0.000 -2.489 8.933) 9.274 7.440 ( 0.000 -0.943 0.880) 1.290 7.455 ( 0.000 -1.876 -6.511) 6.776 7.495 ( 0.000 -0.828 -1.495) 1.709 7.746 ( 0.000 -0.129 3.748) 3.750 7.930 ( 0.000 -0.049 -3.814) 3.815 10.061 ( 0.000 -0.399 2.659) 2.689 10.239 ( 0.000 -0.969 -5.822) 5.902 10.537 ( 0.000 -1.746 6.656) 6.882 10.749 ( 0.000 -1.798 -3.227) 3.694 12.275 ( -0.000 0.827 0.076) 0.830 12.325 ( 0.000 -0.647 -2.557) 2.637 12.600 ( 0.000 -2.265 5.646) 6.083 12.795 ( -0.000 0.627 -3.008) 3.072 15.306 ( 0.000 -0.257 3.553) 3.562 15.534 ( -0.000 0.312 -6.790) 6.797 15.902 ( -0.000 0.191 1.798) 1.808 15.955 ( -0.000 0.619 6.750) 6.778 16.044 ( -0.000 2.319 -4.573) 5.128 16.180 ( -0.000 1.175 -3.448) 3.643 16.449 ( -0.000 4.044 5.400) 6.747 16.645 ( -0.000 0.164 -3.144) 3.148 17.536 ( -0.000 3.176 5.985) 6.776 17.886 ( -0.000 5.292 -9.702) 11.052 18.194 ( -0.000 13.842 4.855) 14.668 18.331 ( -0.000 11.020 -2.415) 11.281 19.258 ( 0.000 -25.728 7.123) 26.696 19.596 ( 0.000 -20.334 -6.686) 21.405 26.856 ( -0.000 0.078 1.213) 1.215 26.918 ( -0.000 0.177 -1.270) 1.283 27.843 ( -0.000 0.784 1.438) 1.638 27.913 ( -0.000 1.056 -1.428) 1.776 28.611 ( -0.000 0.136 0.849) 0.860 28.626 ( -0.000 1.316 0.242) 1.338 28.840 ( 0.000 -0.365 0.530) 0.643 28.910 ( 0.000 -1.299 -2.223) 2.574 30.405 ( -0.000 0.521 -0.941) 1.076 30.557 ( -0.000 0.556 -8.107) 8.126 30.745 ( -0.000 2.022 6.398) 6.710 30.964 ( -0.000 0.699 1.713) 1.850 31.906 ( 0.000 -3.135 13.706) 14.060 32.623 ( -0.000 1.301 -15.559) 15.614 33.996 ( 0.000 -5.765 3.742) 6.873 34.068 ( 0.000 -1.220 0.075) 1.222 ======================= Grid point 166 (51/75) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 0.000 0.000 -14.359) 14.359 0.744 ( 0.000 0.000 14.359) 14.359 0.853 ( 0.000 0.000 -19.639) 19.639 0.853 ( 0.000 0.000 19.639) 19.639 2.106 ( 0.000 0.000 -3.134) 3.134 2.106 ( 0.000 0.000 3.134) 3.134 2.426 ( 0.000 0.000 -51.742) 51.742 2.426 ( 0.000 0.000 51.742) 51.742 2.829 ( 0.000 0.000 -2.084) 2.084 2.829 ( 0.000 0.000 2.084) 2.084 3.299 ( 0.000 0.000 -3.835) 3.835 3.299 ( 0.000 0.000 3.835) 3.835 3.885 ( 0.000 0.000 -3.160) 3.160 3.885 ( 0.000 0.000 3.160) 3.160 3.946 ( 0.000 0.000 -7.582) 7.582 3.946 ( 0.000 0.000 7.582) 7.582 4.131 ( 0.000 0.000 -10.346) 10.346 4.131 ( 0.000 0.000 10.346) 10.346 4.162 ( 0.000 0.000 -0.871) 0.871 4.162 ( 0.000 0.000 0.871) 0.871 4.860 ( 0.000 0.000 -7.678) 7.678 4.860 ( 0.000 0.000 7.678) 7.678 5.025 ( 0.000 0.000 -8.306) 8.306 5.025 ( 0.000 0.000 8.306) 8.306 5.236 ( 0.000 0.000 -19.338) 19.338 5.236 ( 0.000 0.000 19.338) 19.338 5.325 ( 0.000 0.000 -0.230) 0.230 5.325 ( 0.000 0.000 0.230) 0.230 6.020 ( 0.000 0.000 -1.739) 1.739 6.020 ( 0.000 0.000 1.739) 1.739 6.156 ( 0.000 0.000 -4.561) 4.561 6.156 ( 0.000 0.000 4.561) 4.561 6.926 ( 0.000 0.000 -5.335) 5.335 6.926 ( 0.000 0.000 5.335) 5.335 7.634 ( 0.000 0.000 -0.629) 0.629 7.634 ( 0.000 0.000 0.629) 0.629 7.839 ( 0.000 0.000 -4.699) 4.699 7.839 ( 0.000 0.000 4.699) 4.699 8.829 ( 0.000 0.000 -16.724) 16.724 8.829 ( 0.000 0.000 16.724) 16.724 10.265 ( 0.000 0.000 -6.983) 6.983 10.265 ( 0.000 0.000 6.983) 6.983 10.961 ( 0.000 0.000 -6.063) 6.063 10.961 ( 0.000 0.000 6.063) 6.063 12.185 ( 0.000 0.000 -2.504) 2.504 12.185 ( 0.000 0.000 2.504) 2.504 12.373 ( 0.000 0.000 -0.151) 0.151 12.373 ( 0.000 0.000 0.151) 0.151 15.395 ( 0.000 0.000 -2.799) 2.799 15.395 ( 0.000 0.000 2.799) 2.799 15.906 ( 0.000 0.000 -3.366) 3.366 15.906 ( 0.000 0.000 3.366) 3.366 15.937 ( 0.000 0.000 -4.105) 4.105 15.937 ( 0.000 0.000 4.105) 4.105 16.360 ( 0.000 0.000 -0.054) 0.054 16.360 ( 0.000 0.000 0.054) 0.054 17.264 ( 0.000 0.000 -0.173) 0.173 17.264 ( 0.000 0.000 0.173) 0.173 17.880 ( 0.000 0.000 -8.027) 8.027 17.880 ( 0.000 0.000 8.027) 8.027 21.011 ( 0.000 0.000 -5.562) 5.562 21.011 ( 0.000 0.000 5.562) 5.562 26.858 ( 0.000 0.000 -1.208) 1.208 26.858 ( 0.000 0.000 1.208) 1.208 27.740 ( 0.000 0.000 -1.256) 1.256 27.740 ( 0.000 0.000 1.256) 1.256 28.464 ( 0.000 0.000 -3.536) 3.536 28.464 ( 0.000 0.000 3.536) 3.536 28.916 ( 0.000 0.000 -3.406) 3.406 28.916 ( 0.000 0.000 3.406) 3.406 30.347 ( 0.000 0.000 -0.618) 0.618 30.347 ( 0.000 0.000 0.618) 0.618 30.687 ( 0.000 0.000 -2.780) 2.780 30.687 ( 0.000 0.000 2.780) 2.780 31.218 ( 0.000 0.000 -3.427) 3.427 31.218 ( 0.000 0.000 3.427) 3.427 35.710 ( 0.000 0.000 -0.350) 0.350 35.710 ( 0.000 0.000 0.350) 0.350 ======================= Grid point 168 (52/75) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.010 ( 4.947 -16.712 -15.406) 23.262 1.010 ( 4.947 -16.712 15.406) 23.262 1.192 ( 40.490 -3.180 -9.295) 41.664 1.192 ( 40.490 -3.180 9.295) 41.664 2.187 ( 6.221 -5.047 -3.955) 8.934 2.187 ( 6.221 -5.047 3.955) 8.934 2.466 ( 5.882 -1.840 -42.201) 42.648 2.466 ( 5.882 -1.840 42.201) 42.648 2.934 ( 10.130 -1.951 -0.061) 10.316 2.934 ( 10.130 -1.951 0.061) 10.316 3.247 ( -4.160 2.463 -6.122) 7.800 3.247 ( -4.160 2.463 6.122) 7.800 3.818 ( -6.501 0.743 -2.614) 7.047 3.818 ( -6.501 0.743 2.614) 7.047 3.975 ( 4.733 -0.579 -2.607) 5.434 3.975 ( 4.733 -0.579 2.607) 5.434 4.185 ( 1.368 -2.236 -8.175) 8.585 4.185 ( 1.368 -2.236 8.175) 8.585 4.235 ( 9.523 0.508 -6.138) 11.342 4.235 ( 9.523 0.508 6.138) 11.342 4.773 ( -6.894 -0.227 -6.871) 9.736 4.773 ( -6.894 -0.227 6.871) 9.736 5.058 ( -2.374 0.969 -8.257) 8.646 5.058 ( -2.374 0.969 8.257) 8.646 5.228 ( 1.466 1.010 -14.925) 15.031 5.228 ( 1.466 1.010 14.925) 15.031 5.412 ( 11.032 -0.161 -0.433) 11.041 5.412 ( 11.032 -0.161 0.433) 11.041 6.045 ( -0.984 0.087 -1.080) 1.464 6.045 ( -0.984 0.087 1.080) 1.464 6.135 ( 0.171 -1.281 -3.849) 4.061 6.135 ( 0.171 -1.281 3.849) 4.061 6.922 ( -0.703 -0.065 -6.451) 6.489 6.922 ( -0.703 -0.065 6.451) 6.489 7.565 ( -7.366 0.325 -2.505) 7.787 7.565 ( -7.366 0.325 2.505) 7.787 7.845 ( 1.916 0.199 -5.257) 5.599 7.845 ( 1.916 0.199 5.257) 5.599 8.811 ( 10.460 17.585 -14.785) 25.244 8.811 ( 10.460 17.585 14.785) 25.244 10.271 ( 1.231 0.802 -6.892) 7.047 10.271 ( 1.231 0.802 6.892) 7.047 10.938 ( -1.954 1.176 -5.768) 6.203 10.938 ( -1.954 1.176 5.768) 6.203 12.209 ( 0.990 -2.298 -2.949) 3.868 12.209 ( 0.990 -2.298 2.949) 3.868 12.425 ( -0.293 -7.322 -0.980) 7.393 12.425 ( -0.293 -7.322 0.980) 7.393 15.421 ( 3.081 -0.009 -1.980) 3.662 15.421 ( 3.081 -0.009 1.980) 3.662 15.879 ( -2.894 0.939 -2.074) 3.682 15.879 ( -2.894 0.939 2.074) 3.682 15.944 ( 1.474 0.612 -2.074) 2.617 15.944 ( 1.474 0.612 2.074) 2.617 16.294 ( 1.638 9.772 -1.311) 9.994 16.294 ( 1.638 9.772 1.311) 9.994 17.330 ( 1.365 -5.646 -3.280) 6.671 17.330 ( 1.365 -5.646 3.280) 6.671 17.922 ( -0.793 -6.749 -6.384) 9.324 17.922 ( -0.793 -6.749 6.384) 9.324 20.733 ( -28.393 -0.120 -15.930) 32.557 20.733 ( -28.393 -0.120 15.930) 32.557 27.060 ( 21.890 2.324 -8.371) 23.551 27.060 ( 21.890 2.324 8.371) 23.551 27.819 ( 8.859 -0.149 -1.952) 9.073 27.819 ( 8.859 -0.149 1.952) 9.073 28.487 ( 2.206 -0.593 -5.503) 5.958 28.487 ( 2.206 -0.593 5.503) 5.958 28.900 ( -2.490 -0.545 -2.622) 3.657 28.900 ( -2.490 -0.545 2.622) 3.657 30.345 ( 0.705 0.637 -0.523) 1.084 30.345 ( 0.705 0.637 0.523) 1.084 30.689 ( 2.434 2.698 -7.560) 8.388 30.689 ( 2.434 2.698 7.560) 8.388 31.423 ( 7.168 -21.461 -4.495) 23.069 31.423 ( 7.168 -21.461 4.495) 23.069 35.293 ( -34.830 14.696 -14.560) 40.511 35.293 ( -34.830 14.696 14.560) 40.511 ======================= Grid point 170 (53/75) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.268 ( 4.677 -11.523 -12.917) 17.930 1.268 ( 4.677 -11.523 12.917) 17.930 1.829 ( 32.132 -4.786 -9.834) 33.942 1.829 ( 32.132 -4.786 9.834) 33.942 2.410 ( 11.237 -8.517 -0.733) 14.119 2.410 ( 11.237 -8.517 0.733) 14.119 2.693 ( 16.572 -4.807 -19.579) 26.098 2.693 ( 16.572 -4.807 19.579) 26.098 3.033 ( -4.249 -0.189 -15.121) 15.708 3.033 ( -4.249 -0.189 15.121) 15.708 3.238 ( 9.125 -2.334 -2.565) 9.762 3.238 ( 9.125 -2.334 2.565) 9.762 3.723 ( -3.946 0.641 -2.213) 4.569 3.723 ( -3.946 0.641 2.213) 4.569 4.079 ( 5.675 -2.345 -4.090) 7.378 4.079 ( 5.675 -2.345 4.090) 7.378 4.250 ( 3.635 -2.136 -11.711) 12.447 4.250 ( 3.635 -2.136 11.711) 12.447 4.353 ( 7.286 2.685 -5.177) 9.332 4.353 ( 7.286 2.685 5.177) 9.332 4.690 ( -4.517 -1.017 -7.916) 9.171 4.690 ( -4.517 -1.017 7.916) 9.171 4.944 ( -8.817 0.858 -3.787) 9.634 4.944 ( -8.817 0.858 3.787) 9.634 5.218 ( 0.728 3.899 -11.119) 11.806 5.218 ( 0.728 3.899 11.119) 11.806 5.613 ( 13.344 2.694 -1.959) 13.754 5.613 ( 13.344 2.694 1.959) 13.754 5.951 ( -0.551 7.794 -1.516) 7.959 5.951 ( -0.551 7.794 1.516) 7.959 6.220 ( -0.431 -8.719 -5.780) 10.470 6.220 ( -0.431 -8.719 5.780) 10.470 6.907 ( -1.234 -0.426 -7.470) 7.583 6.907 ( -1.234 -0.426 7.470) 7.583 7.453 ( -6.160 -0.048 -5.628) 8.344 7.453 ( -6.160 -0.048 5.628) 8.344 7.889 ( 4.026 0.959 -4.764) 6.310 7.889 ( 4.026 0.959 4.764) 6.310 8.722 ( 8.083 20.501 -10.118) 24.248 8.722 ( 8.083 20.501 10.118) 24.248 10.279 ( 1.527 1.354 -5.498) 5.865 10.279 ( 1.527 1.354 5.498) 5.865 10.880 ( -2.992 1.746 -4.911) 6.009 10.880 ( -2.992 1.746 4.911) 6.009 12.262 ( 1.927 -2.623 -2.496) 4.102 12.262 ( 1.927 -2.623 2.496) 4.102 12.498 ( -1.964 -6.955 -0.420) 7.239 12.498 ( -1.964 -6.955 0.420) 7.239 15.480 ( 4.844 0.737 -3.018) 5.754 15.480 ( 4.844 0.737 3.018) 5.754 15.812 ( -3.852 0.744 -2.644) 4.731 15.812 ( -3.852 0.744 2.644) 4.731 15.959 ( 1.116 0.417 -1.770) 2.134 15.959 ( 1.116 0.417 1.770) 2.134 16.229 ( 2.624 6.234 -1.886) 7.022 16.229 ( 2.624 6.234 1.886) 7.022 17.387 ( 0.532 -1.116 -5.238) 5.382 17.387 ( 0.532 -1.116 5.238) 5.382 17.977 ( -1.569 -4.443 -6.525) 8.048 17.977 ( -1.569 -4.443 6.525) 8.048 20.339 ( -25.099 -6.697 -15.226) 30.110 20.339 ( -25.099 -6.697 15.226) 30.110 27.351 ( 21.027 5.753 -12.655) 25.207 27.351 ( 21.027 5.753 12.655) 25.207 27.963 ( 7.337 -1.308 -3.552) 8.256 27.963 ( 7.337 -1.308 3.552) 8.256 28.530 ( 4.339 2.404 -6.681) 8.322 28.530 ( 4.339 2.404 6.681) 8.322 28.851 ( -4.812 -0.646 -1.341) 5.037 28.851 ( -4.812 -0.646 1.341) 5.037 30.363 ( 1.216 -1.163 -0.784) 1.856 30.363 ( 1.216 -1.163 0.784) 1.856 30.698 ( 2.717 2.616 -7.990) 8.835 30.698 ( 2.717 2.616 7.990) 8.835 31.858 ( 12.046 -23.067 -6.262) 26.766 31.858 ( 12.046 -23.067 6.262) 26.766 34.520 ( -38.429 13.795 -26.524) 48.689 34.520 ( -38.429 13.795 26.524) 48.689 ======================= Grid point 172 (54/75) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.432 ( 5.450 -3.803 -10.752) 12.640 1.432 ( 5.450 -3.803 10.752) 12.640 2.273 ( 17.076 -5.833 -9.967) 20.615 2.273 ( 17.076 -5.833 9.967) 20.615 2.658 ( 7.275 -1.061 -4.502) 8.621 2.658 ( 7.275 -1.061 4.502) 8.621 2.798 ( -2.668 -2.115 -9.013) 9.634 2.798 ( -2.668 -2.115 9.013) 9.634 3.200 ( 17.491 -8.051 -17.679) 26.140 3.200 ( 17.491 -8.051 17.679) 26.140 3.405 ( 2.311 -4.910 -5.638) 7.826 3.405 ( 2.311 -4.910 5.638) 7.826 3.720 ( 4.703 -2.038 -4.831) 7.043 3.720 ( 4.703 -2.038 4.831) 7.043 4.190 ( 4.453 -2.687 -4.871) 7.125 4.190 ( 4.453 -2.687 4.871) 7.125 4.322 ( 4.336 4.583 -6.346) 8.948 4.322 ( 4.336 4.583 6.346) 8.948 4.400 ( 2.991 -0.926 -1.127) 3.328 4.400 ( 2.991 -0.926 1.127) 3.328 4.660 ( -3.676 -3.082 -7.737) 9.104 4.660 ( -3.676 -3.082 7.737) 9.104 4.810 ( -7.358 -2.133 -2.068) 7.936 4.810 ( -7.358 -2.133 2.068) 7.936 5.159 ( 0.706 8.064 -6.472) 10.364 5.159 ( 0.706 8.064 6.472) 10.364 5.613 ( 0.238 13.205 -9.233) 16.114 5.613 ( 0.238 13.205 9.233) 16.114 5.990 ( 9.408 -1.562 -6.286) 11.422 5.990 ( 9.408 -1.562 6.286) 11.422 6.286 ( -2.445 -5.468 -7.065) 9.262 6.286 ( -2.445 -5.468 7.065) 9.262 6.907 ( -0.818 -2.418 -6.951) 7.405 6.907 ( -0.818 -2.418 6.951) 7.405 7.374 ( -3.637 0.956 -5.410) 6.588 7.374 ( -3.637 0.956 5.410) 6.588 7.931 ( 2.983 1.297 -3.384) 4.694 7.931 ( 2.983 1.297 3.384) 4.694 8.595 ( 4.023 14.912 -5.616) 16.434 8.595 ( 4.023 14.912 5.616) 16.434 10.285 ( 1.197 1.147 -3.364) 3.751 10.285 ( 1.197 1.147 3.364) 3.751 10.813 ( -2.694 1.551 -3.394) 4.602 10.813 ( -2.694 1.551 3.394) 4.602 12.325 ( 2.251 -2.155 -1.533) 3.473 12.325 ( 2.251 -2.155 1.533) 3.473 12.528 ( -2.524 -4.054 -1.126) 4.907 12.528 ( -2.524 -4.054 1.126) 4.907 15.544 ( 5.514 2.219 -3.074) 6.691 15.544 ( 5.514 2.219 3.074) 6.691 15.750 ( -4.771 -1.492 -2.490) 5.585 15.750 ( -4.771 -1.492 2.490) 5.585 15.971 ( 0.881 0.080 -0.946) 1.295 15.971 ( 0.881 0.080 0.946) 1.295 16.215 ( 2.044 2.764 -1.441) 3.727 16.215 ( 2.044 2.764 1.441) 3.727 17.384 ( -0.286 1.303 -4.412) 4.609 17.384 ( -0.286 1.303 4.412) 4.609 17.982 ( -1.227 -0.778 -5.610) 5.795 17.982 ( -1.227 -0.778 5.610) 5.795 20.128 ( -14.423 -7.723 -8.158) 18.281 20.128 ( -14.423 -7.723 8.158) 18.281 27.569 ( 16.541 6.234 -9.876) 20.249 27.569 ( 16.541 6.234 9.876) 20.249 28.062 ( 0.943 -4.506 -3.763) 5.946 28.062 ( 0.943 -4.506 3.763) 5.946 28.561 ( 5.940 5.418 -5.006) 9.471 28.561 ( 5.940 5.418 5.006) 9.471 28.772 ( -6.427 -1.086 -0.507) 6.538 28.772 ( -6.427 -1.086 0.507) 6.538 30.403 ( 1.065 -2.234 -1.476) 2.882 30.403 ( 1.065 -2.234 1.476) 2.882 30.706 ( 1.992 2.139 -6.176) 6.832 30.706 ( 1.992 2.139 6.176) 6.832 32.310 ( 15.069 -16.817 -7.530) 23.803 32.310 ( 15.069 -16.817 7.530) 23.803 33.835 ( -31.243 10.194 -24.233) 40.832 33.835 ( -31.243 10.194 24.233) 40.832 ======================= Grid point 174 (55/75) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.534 ( 3.182 -1.203 -4.136) 5.355 1.534 ( 3.182 -1.203 4.136) 5.355 2.449 ( 2.846 2.292 -7.846) 8.655 2.449 ( 2.846 2.292 7.846) 8.655 2.653 ( -1.064 -3.276 -8.430) 9.107 2.653 ( -1.064 -3.276 8.430) 9.107 2.925 ( 6.163 -2.445 -2.086) 6.951 2.925 ( 6.163 -2.445 2.086) 6.951 3.332 ( -4.102 -0.796 -0.912) 4.277 3.332 ( -4.102 -0.796 0.912) 4.277 3.569 ( 9.226 -3.991 -5.481) 11.449 3.569 ( 9.226 -3.991 5.481) 11.449 3.869 ( 5.178 -3.425 -3.811) 7.285 3.869 ( 5.178 -3.425 3.811) 7.285 4.222 ( -1.214 3.290 -1.074) 3.667 4.222 ( -1.214 3.290 1.074) 3.667 4.329 ( 4.904 -0.610 -4.549) 6.717 4.329 ( 4.904 -0.610 4.549) 6.717 4.453 ( -1.603 -0.525 -4.597) 4.897 4.453 ( -1.603 -0.525 4.597) 4.897 4.607 ( -2.922 -0.433 -2.503) 3.872 4.607 ( -2.922 -0.433 2.503) 3.872 4.850 ( 0.394 -11.684 -10.752) 15.883 4.850 ( 0.394 -11.684 10.752) 15.883 5.033 ( -0.528 13.213 -6.575) 14.768 5.033 ( -0.528 13.213 6.575) 14.768 5.460 ( -1.645 6.269 -5.953) 8.800 5.460 ( -1.645 6.269 5.953) 8.800 6.149 ( 7.421 -0.515 -6.285) 9.738 6.149 ( 7.421 -0.515 6.285) 9.738 6.277 ( -4.024 -2.093 -6.470) 7.902 6.277 ( -4.024 -2.093 6.470) 7.902 6.931 ( -0.202 -1.982 -3.348) 3.896 6.931 ( -0.202 -1.982 3.348) 3.896 7.319 ( -1.424 1.127 -2.584) 3.158 7.319 ( -1.424 1.127 2.584) 3.158 7.950 ( 1.029 0.597 -1.202) 1.692 7.950 ( 1.029 0.597 1.202) 1.692 8.510 ( 1.176 5.384 -1.764) 5.787 8.510 ( 1.176 5.384 1.764) 5.787 10.289 ( 0.467 0.429 -1.125) 1.291 10.289 ( 0.467 0.429 1.125) 1.291 10.769 ( -1.093 0.624 -1.232) 1.761 10.769 ( -1.093 0.624 1.232) 1.761 12.373 ( 1.194 -0.861 -0.567) 1.577 12.373 ( 1.194 -0.861 0.567) 1.577 12.528 ( -1.306 -1.271 -0.791) 1.987 12.528 ( -1.306 -1.271 0.791) 1.987 15.593 ( 3.902 2.064 -1.698) 4.729 15.593 ( 3.902 2.064 1.698) 4.729 15.701 ( -3.730 -1.795 -1.490) 4.400 15.701 ( -3.730 -1.795 1.490) 4.400 15.984 ( 0.459 -0.278 -0.249) 0.592 15.984 ( 0.459 -0.278 0.249) 0.592 16.215 ( 0.708 0.896 -0.491) 1.243 16.215 ( 0.708 0.896 0.491) 1.243 17.363 ( -0.273 0.859 -1.700) 1.925 17.363 ( -0.273 0.859 1.700) 1.925 17.973 ( -0.353 0.043 -2.088) 2.118 17.973 ( -0.353 0.043 2.088) 2.118 20.051 ( -4.600 -3.138 -2.393) 6.061 20.051 ( -4.600 -3.138 2.393) 6.061 27.700 ( 7.125 3.145 -3.968) 8.741 27.700 ( 7.125 3.145 3.968) 8.741 28.103 ( -1.456 -3.247 -1.721) 3.953 28.103 ( -1.456 -3.247 1.721) 3.953 28.594 ( 6.038 4.505 -3.227) 8.195 28.594 ( 6.038 4.505 3.227) 8.195 28.689 ( -6.077 -2.045 -2.131) 6.757 28.689 ( -6.077 -2.045 2.131) 6.757 30.438 ( 0.411 -1.171 -0.863) 1.511 30.438 ( 0.411 -1.171 0.863) 1.511 30.708 ( 0.727 0.934 -2.459) 2.729 30.708 ( 0.727 0.934 2.459) 2.729 32.714 ( 14.866 -9.628 -8.561) 19.672 32.714 ( 14.866 -9.628 8.561) 19.672 33.319 ( -20.199 7.362 -14.829) 26.117 33.319 ( -20.199 7.362 14.829) 26.117 ======================= Grid point 186 (56/75) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 10.243 0.000 -16.184) 19.153 1.027 ( 10.243 0.000 16.184) 19.153 1.781 ( 32.615 0.000 -12.833) 35.049 1.781 ( 32.615 0.000 12.833) 35.049 2.296 ( 12.284 0.000 -5.839) 13.601 2.296 ( 12.284 0.000 5.839) 13.601 2.640 ( 18.804 0.000 -29.417) 34.914 2.640 ( 18.804 0.000 29.417) 34.914 3.034 ( -0.237 -0.000 -4.754) 4.760 3.034 ( -0.237 -0.000 4.754) 4.760 3.244 ( 4.589 0.000 -1.581) 4.853 3.244 ( 4.589 0.000 1.581) 4.853 3.732 ( -4.503 -0.000 -1.981) 4.919 3.732 ( -4.503 -0.000 1.981) 4.919 4.042 ( 4.178 0.000 -4.949) 6.476 4.042 ( 4.178 0.000 4.949) 6.476 4.210 ( 4.464 0.000 -1.884) 4.846 4.210 ( 4.464 0.000 1.884) 4.846 4.403 ( 9.376 0.000 -0.119) 9.376 4.403 ( 9.376 0.000 0.119) 9.376 4.698 ( -2.791 -0.000 -7.150) 7.675 4.698 ( -2.791 -0.000 7.150) 7.675 4.953 ( -10.120 -0.000 -3.735) 10.787 4.953 ( -10.120 -0.000 3.735) 10.787 5.251 ( 0.738 0.000 -17.244) 17.259 5.251 ( 0.738 0.000 17.244) 17.259 5.639 ( 15.817 0.000 -0.647) 15.830 5.639 ( 15.817 0.000 0.647) 15.830 6.012 ( -0.762 -0.000 -2.364) 2.484 6.012 ( -0.762 -0.000 2.364) 2.484 6.145 ( -0.164 -0.000 -3.566) 3.570 6.145 ( -0.164 -0.000 3.566) 3.570 6.905 ( -1.558 -0.000 -5.359) 5.581 6.905 ( -1.558 -0.000 5.359) 5.581 7.444 ( -7.072 -0.000 -6.606) 9.677 7.444 ( -7.072 -0.000 6.606) 9.677 7.900 ( 4.109 0.000 -4.977) 6.454 7.900 ( 4.109 0.000 4.977) 6.454 9.027 ( 2.424 0.000 -14.951) 15.147 9.027 ( 2.424 0.000 14.951) 15.147 10.299 ( 1.408 0.000 -7.096) 7.234 10.299 ( 1.408 0.000 7.096) 7.234 10.899 ( -3.722 -0.000 -4.817) 6.087 10.899 ( -3.722 -0.000 4.817) 6.087 12.214 ( 1.793 0.000 -2.068) 2.737 12.214 ( 1.793 0.000 2.068) 2.737 12.392 ( 1.348 0.000 -0.479) 1.431 12.392 ( 1.348 0.000 0.479) 1.431 15.485 ( 4.952 0.000 -1.936) 5.317 15.485 ( 4.952 0.000 1.936) 5.317 15.830 ( -4.303 -0.000 -0.212) 4.308 15.830 ( -4.303 -0.000 0.212) 4.308 15.968 ( 1.336 0.000 -1.790) 2.234 15.968 ( 1.336 0.000 1.790) 2.234 16.395 ( 1.905 0.000 -0.442) 1.956 16.395 ( 1.905 0.000 0.442) 1.956 17.340 ( 4.724 0.000 -1.021) 4.834 17.340 ( 4.724 0.000 1.021) 4.834 17.882 ( 1.249 0.000 -6.542) 6.660 17.882 ( 1.249 0.000 6.542) 6.660 20.212 ( -32.428 -0.000 -9.475) 33.784 20.212 ( -32.428 -0.000 9.475) 33.784 27.437 ( 21.880 0.000 -18.335) 28.547 27.437 ( 21.880 0.000 18.335) 28.547 27.942 ( 4.195 0.000 -5.335) 6.787 27.942 ( 4.195 0.000 5.335) 6.787 28.575 ( 8.877 0.000 -1.155) 8.952 28.575 ( 8.877 0.000 1.155) 8.952 28.846 ( -4.012 -0.000 -1.591) 4.316 28.846 ( -4.012 -0.000 1.591) 4.316 30.363 ( 0.907 0.000 -0.888) 1.269 30.363 ( 0.907 0.000 0.888) 1.269 30.762 ( 3.407 0.000 -5.545) 6.508 30.762 ( 3.407 0.000 5.545) 6.508 31.468 ( 16.635 0.000 -6.183) 17.747 31.468 ( 16.635 0.000 6.183) 17.747 34.707 ( -45.830 -0.000 -29.188) 54.336 34.707 ( -45.830 -0.000 29.188) 54.336 ======================= Grid point 188 (57/75) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.257 ( 10.192 -8.648 -11.997) 17.961 1.257 ( 10.192 -8.648 11.997) 17.961 2.153 ( 16.305 -2.523 -22.240) 27.691 2.153 ( 16.305 -2.523 22.240) 27.691 2.562 ( 17.524 -3.350 -1.210) 17.882 2.562 ( 17.524 -3.350 1.210) 17.882 2.900 ( -5.762 4.803 -8.477) 11.319 2.900 ( -5.762 4.803 8.477) 11.319 3.020 ( 18.327 -3.871 -10.287) 21.370 3.020 ( 18.327 -3.871 10.287) 21.370 3.353 ( 6.223 0.405 -3.378) 7.093 3.353 ( 6.223 0.405 3.378) 7.093 3.706 ( 2.447 -0.429 -4.975) 5.561 3.706 ( 2.447 -0.429 4.975) 5.561 4.113 ( 3.403 -2.869 -3.526) 5.678 4.113 ( 3.403 -2.869 3.526) 5.678 4.312 ( 6.908 -1.244 -4.673) 8.432 4.312 ( 6.908 -1.244 4.673) 8.432 4.499 ( 4.640 2.646 -4.187) 6.787 4.499 ( 4.640 2.646 4.187) 6.787 4.645 ( -3.904 2.028 -9.247) 10.240 4.645 ( -3.904 2.028 9.247) 10.240 4.798 ( -8.145 0.376 -4.226) 9.184 4.798 ( -8.145 0.376 4.226) 9.184 5.253 ( 0.095 0.894 -15.850) 15.875 5.253 ( 0.095 0.894 15.850) 15.875 5.850 ( 11.629 2.831 -2.397) 12.207 5.850 ( 11.629 2.831 2.397) 12.207 5.992 ( -1.357 1.457 -2.874) 3.496 5.992 ( -1.357 1.457 2.874) 3.496 6.156 ( 1.185 -2.334 -0.685) 2.705 6.156 ( 1.185 -2.334 0.685) 2.705 6.873 ( -2.783 -0.455 -5.521) 6.200 6.873 ( -2.783 -0.455 5.521) 6.200 7.364 ( -4.219 -0.957 -7.250) 8.443 7.364 ( -4.219 -0.957 7.250) 8.443 7.949 ( 2.141 0.362 -3.959) 4.516 7.949 ( 2.141 0.362 3.959) 4.516 8.932 ( -4.772 9.573 -7.014) 12.791 8.932 ( -4.772 9.573 7.014) 12.791 10.308 ( 0.376 0.626 -5.123) 5.175 10.308 ( 0.376 0.626 5.123) 5.175 10.833 ( -4.344 0.213 -3.348) 5.488 10.833 ( -4.344 0.213 3.348) 5.488 12.261 ( 1.979 -2.383 -1.758) 3.562 12.261 ( 1.979 -2.383 1.758) 3.562 12.436 ( 1.541 -2.495 -0.926) 3.075 12.436 ( 1.541 -2.495 0.926) 3.075 15.567 ( 5.557 -0.025 -4.111) 6.912 15.567 ( 5.557 -0.025 4.111) 6.912 15.748 ( -5.486 0.597 -1.648) 5.759 15.748 ( -5.486 0.597 1.648) 5.759 15.986 ( 1.492 0.666 -1.537) 2.243 15.986 ( 1.492 0.666 1.537) 2.243 16.374 ( 3.119 7.659 -1.524) 8.409 16.374 ( 3.119 7.659 1.524) 8.409 17.419 ( 4.380 1.033 -1.022) 4.615 17.419 ( 4.380 1.033 1.022) 4.615 17.937 ( 2.279 -2.504 -5.718) 6.645 17.937 ( 2.279 -2.504 5.718) 6.645 19.846 ( -22.017 -10.447 -8.062) 25.669 19.846 ( -22.017 -10.447 8.062) 25.669 27.713 ( 16.547 4.779 -14.356) 22.422 27.713 ( 16.547 4.779 14.356) 22.422 27.952 ( -3.144 -3.916 -5.898) 7.746 27.952 ( -3.144 -3.916 5.898) 7.746 28.682 ( 4.108 2.000 -3.439) 5.718 28.682 ( 4.108 2.000 3.439) 5.718 28.782 ( -1.418 2.575 -1.575) 3.335 28.782 ( -1.418 2.575 1.575) 3.335 30.376 ( 1.068 0.025 -0.873) 1.379 30.376 ( 1.068 0.025 0.873) 1.379 30.785 ( 2.957 3.517 -7.784) 9.039 30.785 ( 2.957 3.517 7.784) 9.039 31.870 ( 19.981 -14.800 -9.131) 26.489 31.870 ( 19.981 -14.800 9.131) 26.489 34.027 ( -36.151 4.629 -30.756) 47.689 34.027 ( -36.151 4.629 30.756) 47.689 ======================= Grid point 190 (58/75) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.496 ( 8.935 -5.421 -7.659) 12.957 1.496 ( 8.935 -5.421 7.659) 12.957 2.409 ( 9.632 -4.751 -14.211) 17.813 2.409 ( 9.632 -4.751 14.211) 17.813 2.688 ( -6.482 5.382 -12.753) 15.285 2.688 ( -6.482 5.382 12.753) 15.285 2.864 ( 13.864 -2.127 -1.124) 14.071 2.864 ( 13.864 -2.127 1.124) 14.071 3.257 ( 0.046 -3.386 -3.788) 5.081 3.257 ( 0.046 -3.386 3.788) 5.081 3.412 ( 4.146 -2.526 -4.631) 6.710 3.412 ( 4.146 -2.526 4.631) 6.710 3.841 ( 11.489 -0.861 -10.155) 15.358 3.841 ( 11.489 -0.861 10.155) 15.358 4.225 ( 4.847 -4.081 -3.584) 7.279 4.225 ( 4.847 -4.081 3.584) 7.279 4.390 ( -4.802 1.278 -2.246) 5.453 4.390 ( -4.802 1.278 2.246) 5.453 4.453 ( 3.086 2.858 -8.302) 9.307 4.453 ( 3.086 2.858 8.302) 9.307 4.608 ( 0.182 -0.215 -1.878) 1.899 4.608 ( 0.182 -0.215 1.878) 1.899 4.704 ( -2.316 0.852 -1.919) 3.126 4.704 ( -2.316 0.852 1.919) 3.126 5.227 ( -0.833 2.823 -10.535) 10.938 5.227 ( -0.833 2.823 10.535) 10.938 5.771 ( -2.405 15.395 -7.476) 17.282 5.771 ( -2.405 15.395 7.476) 17.282 6.087 ( 5.679 -4.622 -8.195) 10.990 6.087 ( 5.679 -4.622 8.195) 10.990 6.213 ( 1.551 -2.830 -2.511) 4.089 6.213 ( 1.551 -2.830 2.511) 4.089 6.845 ( -3.005 -3.180 -5.039) 6.673 6.845 ( -3.005 -3.180 5.039) 6.673 7.323 ( -2.868 -0.880 -6.050) 6.753 7.323 ( -2.868 -0.880 6.050) 6.753 7.953 ( -1.304 -0.012 -2.062) 2.440 7.953 ( -1.304 -0.012 2.062) 2.440 8.712 ( -7.719 9.121 -2.098) 12.131 8.712 ( -7.719 9.121 2.098) 12.131 10.299 ( -0.731 0.361 -2.311) 2.451 10.299 ( -0.731 0.361 2.311) 2.451 10.771 ( -3.504 -0.362 -1.483) 3.822 10.771 ( -3.504 -0.362 1.483) 3.822 12.320 ( 1.098 -2.979 -1.780) 3.640 12.320 ( 1.098 -2.979 1.780) 3.640 12.488 ( 1.990 -1.608 -1.330) 2.884 12.488 ( 1.990 -1.608 1.330) 2.884 15.637 ( -0.417 0.758 -2.918) 3.043 15.637 ( -0.417 0.758 2.918) 3.043 15.670 ( 0.105 -0.317 -4.774) 4.786 15.670 ( 0.105 -0.317 4.774) 4.786 15.998 ( 1.560 1.258 -1.066) 2.270 15.998 ( 1.560 1.258 1.066) 2.270 16.335 ( 3.901 7.748 -2.535) 9.037 16.335 ( 3.901 7.748 2.535) 9.037 17.437 ( 2.955 4.805 -0.947) 5.720 17.437 ( 2.955 4.805 0.947) 5.720 17.978 ( 1.337 0.390 -3.543) 3.807 17.978 ( 1.337 0.390 3.543) 3.807 19.770 ( -10.870 -17.339 -3.692) 20.795 19.770 ( -10.870 -17.339 3.692) 20.795 27.755 ( -4.709 1.316 -0.956) 4.982 27.755 ( -4.709 1.316 0.956) 4.982 28.047 ( 9.782 -1.342 -11.197) 14.929 28.047 ( 9.782 -1.342 11.197) 14.929 28.630 ( -7.805 -1.018 -2.151) 8.160 28.630 ( -7.805 -1.018 2.151) 8.160 28.768 ( 5.590 6.914 -2.383) 9.205 28.768 ( 5.590 6.914 2.383) 9.205 30.399 ( 0.900 -1.149 -1.770) 2.294 30.399 ( 0.900 -1.149 1.770) 2.294 30.779 ( 2.135 4.077 -7.902) 9.144 30.779 ( 2.135 4.077 7.902) 9.144 32.352 ( 15.859 -16.839 -14.292) 27.190 32.352 ( 15.859 -16.839 14.292) 27.190 33.513 ( -20.954 6.623 -21.219) 30.548 33.513 ( -20.954 6.623 21.219) 30.548 ======================= Grid point 192 (59/75) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.635 ( 6.151 3.393 -4.739) 8.474 1.635 ( 6.151 3.393 4.739) 8.474 2.403 ( -7.128 0.567 -14.313) 16.000 2.403 ( -7.128 0.567 14.313) 16.000 2.724 ( 8.909 0.091 -14.410) 16.942 2.724 ( 8.909 0.091 14.410) 16.942 2.986 ( -0.533 3.363 -0.979) 3.543 2.986 ( -0.533 3.363 0.979) 3.543 3.239 ( -3.171 -6.150 -4.034) 8.010 3.239 ( -3.171 -6.150 4.034) 8.010 3.499 ( -2.560 -5.788 -0.951) 6.400 3.499 ( -2.560 -5.788 0.951) 6.400 3.959 ( 1.800 2.400 -9.736) 10.188 3.959 ( 1.800 2.400 9.736) 10.188 4.200 ( -5.153 -0.456 -5.721) 7.713 4.200 ( -5.153 -0.456 5.721) 7.713 4.385 ( 0.756 2.420 -5.826) 6.354 4.385 ( 0.756 2.420 5.826) 6.354 4.481 ( 4.585 2.021 -0.800) 5.075 4.481 ( 4.585 2.021 0.800) 5.075 4.595 ( 1.305 -0.555 -4.488) 4.706 4.595 ( 1.305 -0.555 4.488) 4.706 4.766 ( 4.483 -5.503 -6.390) 9.550 4.766 ( 4.483 -5.503 6.390) 9.550 5.148 ( -2.440 6.731 -6.269) 9.516 5.148 ( -2.440 6.731 6.269) 9.516 5.530 ( -3.442 13.765 -6.863) 15.761 5.530 ( -3.442 13.765 6.863) 15.761 6.127 ( -5.445 -2.094 -5.321) 7.896 6.127 ( -5.445 -2.094 5.321) 7.896 6.302 ( 6.145 -0.567 -9.008) 10.919 6.302 ( 6.145 -0.567 9.008) 10.919 6.868 ( -1.458 -6.265 -2.981) 7.090 6.868 ( -1.458 -6.265 2.981) 7.090 7.295 ( -1.671 -0.804 -3.774) 4.205 7.295 ( -1.671 -0.804 3.774) 4.205 7.917 ( -4.242 -1.622 -0.651) 4.588 7.917 ( -4.242 -1.622 0.651) 4.588 8.502 ( -9.017 3.701 -4.109) 10.578 8.502 ( -9.017 3.701 4.109) 10.578 10.279 ( -1.706 -0.346 -0.881) 1.951 10.279 ( -1.706 -0.346 0.881) 1.951 10.742 ( -1.521 -1.494 -1.246) 2.470 10.742 ( -1.521 -1.494 1.246) 2.470 12.355 ( -0.683 -2.079 -1.875) 2.882 12.355 ( -0.683 -2.079 1.875) 2.882 12.539 ( 3.339 -0.180 -1.051) 3.505 12.539 ( 3.339 -0.180 1.051) 3.505 15.563 ( -5.328 -0.451 -2.384) 5.854 15.563 ( -5.328 -0.451 2.384) 5.854 15.734 ( 4.947 0.687 -4.901) 6.998 15.734 ( 4.947 0.687 4.901) 6.998 16.005 ( 1.298 1.446 -0.664) 2.053 16.005 ( 1.298 1.446 0.664) 2.053 16.303 ( 3.397 7.195 -4.035) 8.921 16.303 ( 3.397 7.195 4.035) 8.921 17.413 ( 2.215 5.212 -3.184) 6.497 17.413 ( 2.215 5.212 3.184) 6.497 17.982 ( 0.828 1.099 -0.777) 1.580 17.982 ( 0.828 1.099 0.777) 1.580 19.883 ( -1.628 -16.162 -0.370) 16.247 19.883 ( -1.628 -16.162 0.370) 16.247 27.622 ( -12.923 -2.955 -4.518) 14.006 27.622 ( -12.923 -2.955 4.518) 14.006 28.186 ( 7.423 3.153 -10.173) 12.982 28.186 ( 7.423 3.153 10.173) 12.982 28.520 ( -7.130 -1.793 -2.843) 7.883 28.520 ( -7.130 -1.793 2.843) 7.883 28.774 ( 4.571 4.685 -0.998) 6.622 28.774 ( 4.571 4.685 0.998) 6.622 30.426 ( 0.399 -1.509 -2.778) 3.186 30.426 ( 0.399 -1.509 2.778) 3.186 30.754 ( 0.949 4.055 -6.480) 7.703 30.754 ( 0.949 4.055 6.480) 7.703 32.663 ( -3.523 -11.939 -20.677) 24.136 32.663 ( -3.523 -11.939 20.677) 24.136 33.301 ( 7.693 4.761 -7.018) 11.450 33.301 ( 7.693 4.761 7.018) 11.450 ======================= Grid point 194 (60/75) ======================= q-point: (-0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.584 ( -0.532 10.569 -3.009) 11.002 1.584 ( -0.532 10.569 3.009) 11.002 2.321 ( -8.634 -1.972 -14.396) 16.902 2.321 ( -8.634 -1.972 14.396) 16.902 2.727 ( -4.282 6.134 -4.501) 8.730 2.727 ( -4.282 6.134 4.501) 8.730 2.900 ( -0.048 3.431 -5.547) 6.522 2.900 ( -0.048 3.431 5.547) 6.522 3.197 ( -16.743 -7.124 -9.342) 20.453 3.197 ( -16.743 -7.124 9.342) 20.453 3.520 ( 4.972 2.399 -4.584) 7.176 3.520 ( 4.972 2.399 4.584) 7.176 3.850 ( -8.447 4.785 -4.082) 10.531 3.850 ( -8.447 4.785 4.082) 10.531 4.190 ( -1.848 -3.084 -6.364) 7.309 4.190 ( -1.848 -3.084 6.364) 7.309 4.296 ( -1.523 4.741 -1.983) 5.360 4.296 ( -1.523 4.741 1.983) 5.360 4.489 ( -0.846 4.738 -4.400) 6.521 4.489 ( -0.846 4.738 4.400) 6.521 4.679 ( 5.130 -2.351 -2.131) 6.032 4.679 ( 5.130 -2.351 2.131) 6.032 4.891 ( 1.155 -2.590 -6.488) 7.080 4.891 ( 1.155 -2.590 6.488) 7.080 5.018 ( 1.630 6.775 -8.609) 11.075 5.018 ( 1.630 6.775 8.609) 11.075 5.415 ( -0.713 -0.718 -2.899) 3.070 5.415 ( -0.713 -0.718 2.899) 3.070 6.015 ( -9.545 0.310 -4.510) 10.561 6.015 ( -9.545 0.310 4.510) 10.561 6.371 ( 3.755 1.784 -9.471) 10.343 6.371 ( 3.755 1.784 9.471) 10.343 6.924 ( 0.059 -3.275 -5.931) 6.776 6.924 ( 0.059 -3.275 5.931) 6.776 7.312 ( 1.295 -3.280 -3.288) 4.821 7.312 ( 1.295 -3.280 3.288) 4.821 7.870 ( -5.748 -3.714 -2.140) 7.170 7.870 ( -5.748 -3.714 2.140) 7.170 8.352 ( -10.658 -4.143 -6.174) 12.995 8.352 ( -10.658 -4.143 6.174) 12.995 10.257 ( -2.189 -1.128 -2.788) 3.720 10.257 ( -2.189 -1.128 2.788) 3.720 10.760 ( 0.535 -2.698 -3.228) 4.241 10.760 ( 0.535 -2.698 3.228) 4.241 12.348 ( -1.878 -0.302 -1.019) 2.158 12.348 ( -1.878 -0.302 1.019) 2.158 12.593 ( 4.138 1.211 -0.569) 4.349 12.593 ( 4.138 1.211 0.569) 4.349 15.497 ( -4.450 -1.144 -3.005) 5.490 15.497 ( -4.450 -1.144 3.005) 5.490 15.794 ( 4.318 1.312 -4.097) 6.096 15.794 ( 4.318 1.312 4.097) 6.096 15.997 ( 0.364 2.073 -0.574) 2.181 15.997 ( 0.364 2.073 0.574) 2.181 16.264 ( 2.087 6.377 -5.718) 8.816 16.264 ( 2.087 6.377 5.718) 8.816 17.394 ( 1.903 3.011 -6.196) 7.147 17.394 ( 1.903 3.011 6.196) 7.147 17.990 ( 1.572 0.373 -4.181) 4.482 17.990 ( 1.572 0.373 4.181) 4.482 20.087 ( 6.326 -11.480 -4.635) 13.903 20.087 ( 6.326 -11.480 4.635) 13.903 27.438 ( -16.539 -4.483 -5.511) 18.000 27.438 ( -16.539 -4.483 5.511) 18.000 28.155 ( -5.676 3.123 -3.703) 7.462 28.155 ( -5.676 3.123 3.703) 7.462 28.492 ( 0.976 -0.480 -1.238) 1.648 28.492 ( 0.976 -0.480 1.238) 1.648 28.805 ( 4.342 1.599 -0.858) 4.706 28.805 ( 4.342 1.599 0.858) 4.706 30.439 ( -0.185 -0.046 -2.327) 2.335 30.439 ( -0.185 -0.046 2.327) 2.335 30.714 ( -0.245 3.156 -3.767) 4.921 30.714 ( -0.245 3.156 3.767) 4.921 32.549 ( -12.852 2.096 -12.921) 18.345 32.549 ( -12.852 2.096 12.921) 18.345 33.613 ( 25.232 -6.619 -11.493) 28.505 33.613 ( 25.232 -6.619 11.493) 28.505 ======================= Grid point 196 (61/75) ======================= q-point: (-0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.437 ( -2.844 7.367 -13.136) 15.327 1.437 ( -2.844 7.367 13.136) 15.327 1.996 ( -29.202 7.037 -5.544) 30.545 1.996 ( -29.202 7.037 5.544) 30.545 2.598 ( -4.838 5.956 -1.663) 7.851 2.598 ( -4.838 5.956 1.663) 7.851 2.831 ( -6.235 3.494 -10.228) 12.478 2.831 ( -6.235 3.494 10.228) 12.478 3.046 ( -2.875 -1.027 -20.655) 20.879 3.046 ( -2.875 -1.027 20.655) 20.879 3.419 ( -9.869 11.943 -4.618) 16.167 3.419 ( -9.869 11.943 4.618) 16.167 3.734 ( 2.584 1.972 -0.206) 3.257 3.734 ( 2.584 1.972 0.206) 3.257 4.141 ( -6.028 1.791 -3.865) 7.381 4.141 ( -6.028 1.791 3.865) 7.381 4.248 ( -1.061 1.430 -3.523) 3.947 4.248 ( -1.061 1.430 3.523) 3.947 4.397 ( -1.572 4.723 -8.168) 9.565 4.397 ( -1.572 4.723 8.168) 9.565 4.759 ( 2.814 1.121 -10.701) 11.121 4.759 ( 2.814 1.121 10.701) 11.121 4.887 ( 2.620 -1.977 -2.921) 4.394 4.887 ( 2.620 -1.977 2.921) 4.394 5.084 ( 3.078 -3.904 -7.742) 9.201 5.084 ( 3.078 -3.904 7.742) 9.201 5.464 ( -2.288 -6.934 -5.939) 9.412 5.464 ( -2.288 -6.934 5.939) 9.412 5.860 ( -8.282 -0.249 -3.195) 8.880 5.860 ( -8.282 -0.249 3.195) 8.880 6.383 ( 2.181 3.842 -8.609) 9.677 6.383 ( 2.181 3.842 8.609) 9.677 6.936 ( 0.337 1.121 -10.516) 10.581 6.936 ( 0.337 1.121 10.516) 10.581 7.411 ( 5.020 -4.029 -5.137) 8.235 7.411 ( 5.020 -4.029 5.137) 8.235 7.835 ( -4.979 -4.364 -3.918) 7.693 7.835 ( -4.979 -4.364 3.918) 7.693 8.272 ( -13.393 -13.419 -8.056) 20.599 8.272 ( -13.393 -13.419 8.056) 20.599 10.242 ( -1.939 -1.678 -4.583) 5.251 10.242 ( -1.939 -1.678 4.583) 5.251 10.816 ( 1.610 -3.419 -4.769) 6.085 10.816 ( 1.610 -3.419 4.769) 6.085 12.311 ( -1.929 1.232 -0.600) 2.366 12.311 ( -1.929 1.232 0.600) 2.366 12.630 ( 3.790 3.235 -0.879) 5.059 12.630 ( 3.790 3.235 0.879) 5.059 15.451 ( -3.354 -1.116 -3.622) 5.062 15.451 ( -3.354 -1.116 3.622) 5.062 15.833 ( 3.011 1.771 -2.839) 4.501 15.833 ( 3.011 1.771 2.839) 4.501 15.972 ( -0.079 1.958 -1.808) 2.666 15.972 ( -0.079 1.958 1.808) 2.666 16.216 ( 0.316 4.551 -6.872) 8.248 16.216 ( 0.316 4.551 6.872) 8.248 17.397 ( 1.270 0.908 -8.281) 8.427 17.397 ( 1.270 0.908 8.281) 8.427 18.024 ( 3.006 0.109 -6.074) 6.778 18.024 ( 3.006 0.109 6.074) 6.778 20.352 ( 13.170 -7.556 -11.336) 18.948 20.352 ( 13.170 -7.556 11.336) 18.948 27.223 ( -17.979 -4.327 -5.295) 19.236 27.223 ( -17.979 -4.327 5.295) 19.236 27.994 ( -10.243 1.407 -1.145) 10.402 27.994 ( -10.243 1.407 1.145) 10.402 28.514 ( 1.555 1.097 -2.934) 3.497 28.514 ( 1.555 1.097 2.934) 3.497 28.864 ( 4.248 0.140 -1.615) 4.547 28.864 ( 4.248 0.140 1.615) 4.547 30.419 ( -0.594 2.337 -0.697) 2.510 30.419 ( -0.594 2.337 0.697) 2.510 30.676 ( -1.074 1.326 -3.458) 3.856 30.676 ( -1.074 1.326 3.458) 3.856 32.297 ( -8.747 11.501 -6.085) 15.678 32.297 ( -8.747 11.501 6.085) 15.678 34.153 ( 27.153 -14.722 -17.429) 35.466 34.153 ( 27.153 -14.722 17.429) 35.466 ======================= Grid point 198 (62/75) ======================= q-point: (-0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.277 ( -20.785 4.431 -15.395) 26.243 1.277 ( -20.785 4.431 15.395) 26.243 1.421 ( -15.553 11.687 -9.061) 21.461 1.421 ( -15.553 11.687 9.061) 21.461 2.401 ( -5.344 11.185 -0.213) 12.398 2.401 ( -5.344 11.185 0.213) 12.398 2.638 ( -4.306 12.080 -19.863) 23.644 2.638 ( -4.306 12.080 19.863) 23.644 3.013 ( -8.725 3.660 -2.369) 9.753 3.013 ( -8.725 3.660 2.369) 9.753 3.209 ( 2.047 0.920 -15.654) 15.814 3.209 ( 2.047 0.920 15.654) 15.814 3.785 ( 4.338 -0.471 -2.870) 5.222 3.785 ( 4.338 -0.471 2.870) 5.222 4.010 ( -5.964 2.651 -1.932) 6.807 4.010 ( -5.964 2.651 1.932) 6.807 4.202 ( -3.154 1.139 -6.075) 6.939 4.202 ( -3.154 1.139 6.075) 6.939 4.322 ( -0.703 5.882 -11.286) 12.746 4.322 ( -0.703 5.882 11.286) 12.746 4.791 ( 5.034 1.029 -9.892) 11.147 4.791 ( 5.034 1.029 9.892) 11.147 5.002 ( 3.507 -4.878 -6.167) 8.610 5.002 ( 3.507 -4.878 6.167) 8.610 5.147 ( -1.968 -4.566 -8.384) 9.747 5.147 ( -1.968 -4.566 8.384) 9.747 5.423 ( -7.259 -0.039 -1.749) 7.467 5.423 ( -7.259 -0.039 1.749) 7.467 5.844 ( -0.924 -8.595 -3.816) 9.449 5.844 ( -0.924 -8.595 3.816) 9.449 6.340 ( 1.038 7.835 -8.423) 11.551 6.340 ( 1.038 7.835 8.423) 11.551 6.928 ( 0.619 0.936 -11.041) 11.097 6.928 ( 0.619 0.936 11.041) 11.097 7.539 ( 5.930 -2.160 -2.464) 6.775 7.539 ( 5.930 -2.160 2.464) 6.775 7.827 ( -0.785 -1.988 -5.300) 5.715 7.827 ( -0.785 -1.988 5.300) 5.715 8.267 ( -14.172 -22.158 -10.277) 28.239 8.267 ( -14.172 -22.158 10.277) 28.239 10.239 ( -1.133 -1.736 -6.046) 6.392 10.239 ( -1.133 -1.736 6.046) 6.392 10.882 ( 1.355 -3.366 -5.696) 6.753 10.882 ( 1.355 -3.366 5.696) 6.753 12.266 ( -1.150 2.110 -1.864) 3.041 12.266 ( -1.150 2.110 1.864) 3.041 12.622 ( 2.295 6.275 -1.107) 6.773 12.622 ( 2.295 6.275 1.107) 6.773 15.417 ( -2.197 -0.297 -3.711) 4.323 15.417 ( -2.197 -0.297 3.711) 4.323 15.852 ( 1.639 0.276 -1.981) 2.586 15.852 ( 1.639 0.276 1.981) 2.586 15.951 ( -0.189 1.456 -3.089) 3.421 15.951 ( -0.189 1.456 3.089) 3.421 16.174 ( -0.738 1.124 -6.405) 6.545 16.174 ( -0.738 1.124 6.405) 6.545 17.401 ( 0.403 0.825 -8.543) 8.592 17.401 ( 0.403 0.825 8.543) 8.592 18.060 ( 2.710 2.374 -5.432) 6.519 18.060 ( 2.710 2.374 5.432) 6.519 20.668 ( 15.281 -7.327 -21.043) 27.018 20.668 ( 15.281 -7.327 21.043) 27.018 26.997 ( -15.438 -2.169 -2.567) 15.799 26.997 ( -15.438 -2.169 2.567) 15.799 27.833 ( -7.900 1.088 -1.015) 8.039 27.833 ( -7.900 1.088 1.015) 8.039 28.511 ( 0.316 1.502 -5.756) 5.957 28.511 ( 0.316 1.502 5.756) 5.957 28.918 ( 2.709 0.397 -3.161) 4.182 28.918 ( 2.709 0.397 3.161) 4.182 30.374 ( -0.584 3.032 -0.630) 3.152 30.374 ( -0.584 3.032 0.630) 3.152 30.652 ( -1.120 -0.120 -6.379) 6.477 30.652 ( -1.120 -0.120 6.379) 6.477 32.003 ( -4.581 20.470 -5.399) 21.660 32.003 ( -4.581 20.470 5.399) 21.660 34.778 ( 22.122 -23.746 -17.422) 36.835 34.778 ( 22.122 -23.746 17.422) 36.835 ======================= Grid point 200 (63/75) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -0.000 8.900 -13.840) 16.454 0.869 ( -0.000 8.900 13.840) 16.454 1.214 ( -0.000 17.795 -13.581) 22.385 1.214 ( -0.000 17.795 13.581) 22.385 2.225 ( -0.000 9.446 -1.860) 9.627 2.225 ( -0.000 9.446 1.860) 9.627 2.477 ( -0.000 7.436 -37.259) 37.994 2.477 ( -0.000 7.436 37.259) 37.994 2.874 ( -0.000 3.394 -2.710) 4.343 2.874 ( -0.000 3.394 2.710) 4.343 3.261 ( 0.000 -1.825 -12.940) 13.068 3.261 ( 0.000 -1.825 12.940) 13.068 3.874 ( 0.000 -5.062 -6.954) 8.601 3.874 ( 0.000 -5.062 6.954) 8.601 3.918 ( -0.000 2.613 -2.932) 3.928 3.918 ( -0.000 2.613 2.932) 3.928 4.146 ( -0.000 1.450 -10.287) 10.389 4.146 ( -0.000 1.450 10.287) 10.389 4.239 ( -0.000 6.042 -10.058) 11.733 4.239 ( -0.000 6.042 10.058) 11.733 4.859 ( 0.000 -0.532 -9.800) 9.814 4.859 ( 0.000 -0.532 9.800) 9.814 5.032 ( -0.000 0.603 -7.730) 7.753 5.032 ( -0.000 0.603 7.730) 7.753 5.182 ( 0.000 -4.992 -12.435) 13.400 5.182 ( 0.000 -4.992 12.435) 13.400 5.346 ( -0.000 1.671 -2.329) 2.867 5.346 ( -0.000 1.671 2.329) 2.867 5.967 ( 0.000 -10.736 -3.290) 11.228 5.967 ( 0.000 -10.736 3.290) 11.228 6.230 ( -0.000 10.851 -7.705) 13.309 6.230 ( -0.000 10.851 7.705) 13.309 6.929 ( -0.000 0.130 -9.103) 9.104 6.929 ( -0.000 0.130 9.103) 9.104 7.613 ( 0.000 -1.630 -0.863) 1.845 7.613 ( 0.000 -1.630 0.863) 1.845 7.841 ( -0.000 0.138 -4.757) 4.759 7.841 ( -0.000 0.138 4.757) 4.759 8.428 ( 0.000 -25.413 -11.597) 27.934 8.428 ( 0.000 -25.413 11.597) 27.934 10.248 ( 0.000 -1.319 -6.753) 6.881 10.248 ( 0.000 -1.319 6.753) 6.881 10.930 ( 0.000 -2.548 -6.022) 6.539 10.930 ( 0.000 -2.548 6.022) 6.539 12.230 ( -0.000 2.377 -2.872) 3.728 12.230 ( -0.000 2.377 2.872) 3.728 12.543 ( -0.000 9.596 -2.291) 9.865 12.543 ( -0.000 9.596 2.291) 9.865 15.398 ( -0.000 0.179 -3.312) 3.316 15.398 ( -0.000 0.179 3.312) 3.316 15.885 ( 0.000 -2.921 -2.381) 3.768 15.885 ( 0.000 -2.921 2.381) 3.768 15.927 ( -0.000 1.656 -3.647) 4.006 15.927 ( -0.000 1.656 3.647) 4.006 16.186 ( 0.000 -4.763 -3.617) 5.981 16.186 ( 0.000 -4.763 3.617) 5.981 17.381 ( -0.000 3.251 -7.231) 7.928 17.381 ( -0.000 3.251 7.231) 7.928 18.026 ( -0.000 7.087 -4.402) 8.343 18.026 ( -0.000 7.087 4.402) 8.343 20.914 ( 0.000 -7.699 -27.150) 28.221 20.914 ( 0.000 -7.699 27.150) 28.221 26.862 ( -0.000 0.293 -1.270) 1.303 26.862 ( -0.000 0.293 1.270) 1.303 27.752 ( -0.000 1.057 -1.279) 1.659 27.752 ( -0.000 1.057 1.279) 1.659 28.492 ( -0.000 1.731 -6.864) 7.079 28.492 ( -0.000 1.731 6.864) 7.079 28.931 ( -0.000 0.957 -3.242) 3.381 28.931 ( -0.000 0.957 3.242) 3.381 30.341 ( -0.000 1.308 -0.302) 1.342 30.341 ( -0.000 1.308 0.302) 1.342 30.648 ( 0.000 -1.114 -8.100) 8.177 30.648 ( 0.000 -1.114 8.100) 8.177 31.677 ( -0.000 26.552 -5.499) 27.115 31.677 ( -0.000 26.552 5.499) 27.115 35.299 ( 0.000 -27.740 -10.944) 29.821 35.299 ( 0.000 -27.740 10.944) 29.821 ======================= Grid point 206 (64/75) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 10.428 0.000 -10.676) 14.924 1.369 ( 10.428 0.000 10.676) 14.924 2.340 ( 11.651 0.000 -26.076) 28.560 2.340 ( 11.651 0.000 26.076) 28.560 2.766 ( -8.372 -0.000 -7.773) 11.424 2.766 ( -8.372 -0.000 7.773) 11.424 2.837 ( 15.421 0.000 -1.720) 15.516 2.837 ( 15.421 0.000 1.720) 15.516 3.217 ( 4.782 0.000 -4.121) 6.313 3.217 ( 4.782 0.000 4.121) 6.313 3.447 ( 4.338 0.000 -0.430) 4.359 3.447 ( 4.338 0.000 0.430) 4.359 3.809 ( 11.652 0.000 -9.813) 15.234 3.809 ( 11.652 0.000 9.813) 15.234 4.148 ( 4.236 0.000 -2.954) 5.164 4.148 ( 4.236 0.000 2.954) 5.164 4.376 ( -2.750 -0.000 -4.353) 5.149 4.376 ( -2.750 -0.000 4.353) 5.149 4.516 ( -2.779 -0.000 -7.732) 8.216 4.516 ( -2.779 -0.000 7.732) 8.216 4.594 ( 2.124 0.000 -2.720) 3.451 4.594 ( 2.124 0.000 2.720) 3.451 4.764 ( -0.744 -0.000 -2.223) 2.344 4.764 ( -0.744 -0.000 2.223) 2.344 5.252 ( -0.733 -0.000 -19.032) 19.046 5.252 ( -0.733 -0.000 19.032) 19.046 5.974 ( -1.533 -0.000 -3.238) 3.583 5.974 ( -1.533 -0.000 3.238) 3.583 6.008 ( 5.763 0.000 -4.520) 7.324 6.008 ( 5.763 0.000 4.520) 7.324 6.179 ( 3.291 0.000 -0.576) 3.341 6.179 ( 3.291 0.000 0.576) 3.341 6.808 ( -4.930 -0.000 -5.193) 7.160 6.808 ( -4.930 -0.000 5.193) 7.160 7.304 ( -2.895 -0.000 -7.487) 8.027 7.304 ( -2.895 -0.000 7.487) 8.027 7.953 ( -1.983 -0.000 -2.170) 2.940 7.953 ( -1.983 -0.000 2.170) 2.940 8.840 ( -12.560 -0.000 -0.364) 12.565 8.840 ( -12.560 -0.000 0.364) 12.565 10.304 ( -1.334 -0.000 -3.153) 3.423 10.304 ( -1.334 -0.000 3.153) 3.423 10.763 ( -4.351 -0.000 -1.105) 4.489 10.763 ( -4.351 -0.000 1.105) 4.489 12.275 ( 1.631 0.000 -0.531) 1.715 12.275 ( 1.631 0.000 0.531) 1.715 12.467 ( 3.568 0.000 -2.301) 4.245 12.467 ( 3.568 0.000 2.301) 4.245 15.638 ( -0.013 -0.000 -0.188) 0.188 15.638 ( -0.013 -0.000 0.188) 0.188 15.673 ( -0.782 -0.000 -3.630) 3.714 15.673 ( -0.782 -0.000 3.630) 3.714 16.018 ( 1.895 0.000 -1.425) 2.371 16.018 ( 1.895 0.000 1.425) 2.371 16.461 ( 2.277 0.000 -1.380) 2.662 16.461 ( 2.277 0.000 1.380) 2.662 17.523 ( 6.300 0.000 -3.587) 7.249 17.523 ( 6.300 0.000 3.587) 7.249 17.987 ( 5.252 0.000 -4.148) 6.693 17.987 ( 5.252 0.000 4.148) 6.693 19.486 ( -14.776 -0.000 -2.828) 15.044 19.486 ( -14.776 -0.000 2.828) 15.044 27.769 ( -11.275 -0.000 -4.130) 12.007 27.769 ( -11.275 -0.000 4.130) 12.007 28.032 ( 15.921 0.000 -16.453) 22.895 28.032 ( 15.921 0.000 16.453) 22.895 28.616 ( -7.851 -0.000 -2.295) 8.179 28.616 ( -7.851 -0.000 2.295) 8.179 28.870 ( 3.800 0.000 -6.260) 7.323 28.870 ( 3.800 0.000 6.260) 7.323 30.390 ( 0.668 0.000 -0.407) 0.783 30.390 ( 0.668 0.000 0.407) 0.783 30.847 ( 2.028 0.000 -7.394) 7.667 30.847 ( 2.028 0.000 7.394) 7.667 32.101 ( 19.189 0.000 -15.990) 24.978 32.101 ( 19.189 0.000 15.990) 24.978 33.596 ( -21.620 -0.000 -22.517) 31.216 33.596 ( -21.620 -0.000 22.517) 31.216 ======================= Grid point 208 (65/75) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.556 ( 8.121 -6.283 -6.218) 12.003 1.556 ( 8.121 -6.283 6.218) 12.003 2.489 ( 1.351 3.618 -6.748) 7.775 2.489 ( 1.351 3.618 6.748) 7.775 2.629 ( -1.500 -4.457 -6.119) 7.717 2.629 ( -1.500 -4.457 6.119) 7.717 3.045 ( 5.956 0.509 -1.002) 6.061 3.045 ( 5.956 0.509 1.002) 6.061 3.218 ( -0.320 2.219 -6.286) 6.674 3.218 ( -0.320 2.219 6.286) 6.674 3.442 ( -1.305 2.093 -1.342) 2.808 3.442 ( -1.305 2.093 1.342) 2.808 3.989 ( 6.364 0.143 -11.254) 12.930 3.989 ( 6.364 0.143 11.254) 12.930 4.169 ( -8.669 -1.961 -8.938) 12.605 4.169 ( -8.669 -1.961 8.938) 12.605 4.315 ( 4.012 -4.218 -4.114) 7.128 4.315 ( 4.012 -4.218 4.114) 7.128 4.540 ( 3.071 1.940 -2.650) 4.497 4.540 ( 3.071 1.940 2.650) 4.497 4.634 ( 0.346 0.913 -1.268) 1.600 4.634 ( 0.346 0.913 1.268) 1.600 4.749 ( 4.743 2.194 -1.993) 5.593 4.749 ( 4.743 2.194 1.993) 5.593 5.221 ( -2.412 1.690 -16.349) 16.612 5.221 ( -2.412 1.690 16.349) 16.612 5.890 ( -2.647 9.556 -1.453) 10.022 5.890 ( -2.647 9.556 1.453) 10.022 6.062 ( -0.465 -1.921 -1.789) 2.666 6.062 ( -0.465 -1.921 1.789) 2.666 6.252 ( 4.467 -2.219 -4.626) 6.803 6.252 ( 4.467 -2.219 4.626) 6.803 6.739 ( -5.543 -3.098 -4.940) 8.045 6.739 ( -5.543 -3.098 4.940) 8.045 7.270 ( -2.311 -0.976 -6.934) 7.374 7.270 ( -2.311 -0.976 6.934) 7.374 7.892 ( -5.941 -0.445 -0.285) 5.965 7.892 ( -5.941 -0.445 0.285) 5.965 8.601 ( -14.731 2.921 -4.796) 15.765 8.601 ( -14.731 2.921 4.796) 15.765 10.273 ( -2.587 -0.166 -0.547) 2.650 10.273 ( -2.587 -0.166 0.547) 2.650 10.710 ( -2.942 -0.838 -1.369) 3.351 10.710 ( -2.942 -0.838 1.369) 3.351 12.303 ( 0.506 -1.543 -1.060) 1.939 12.303 ( 0.506 -1.543 1.060) 1.939 12.531 ( 4.246 -0.307 -3.027) 5.223 12.531 ( 4.246 -0.307 3.027) 5.223 15.561 ( -5.550 0.047 -3.092) 6.354 15.561 ( -5.550 0.047 3.092) 6.354 15.738 ( 4.960 -0.062 -6.563) 8.227 15.738 ( 4.960 -0.062 6.563) 8.227 16.041 ( 1.894 1.080 -0.669) 2.281 16.041 ( 1.894 1.080 0.669) 2.281 16.468 ( 2.775 4.515 -2.556) 5.883 16.468 ( 2.775 4.515 2.556) 5.883 17.576 ( 4.989 5.773 -5.088) 9.171 17.576 ( 4.989 5.773 5.088) 9.171 18.047 ( 4.503 4.055 -1.807) 6.323 18.047 ( 4.503 4.055 1.807) 6.323 19.421 ( -6.517 -16.375 -1.010) 17.653 19.421 ( -6.517 -16.375 1.010) 17.653 27.572 ( -14.373 -1.060 -3.773) 14.897 27.572 ( -14.373 -1.060 3.773) 14.897 28.238 ( 9.517 1.120 -12.995) 16.146 28.238 ( 9.517 1.120 12.995) 16.146 28.494 ( -6.761 -0.537 -2.613) 7.268 28.494 ( -6.761 -0.537 2.613) 7.268 28.879 ( 0.650 2.916 -3.184) 4.366 28.879 ( 0.650 2.916 3.184) 4.366 30.401 ( 0.525 -0.442 -1.277) 1.450 30.401 ( 0.525 -0.442 1.277) 1.450 30.853 ( 1.483 3.113 -7.763) 8.494 30.853 ( 1.483 3.113 7.763) 8.494 32.368 ( 5.666 -8.711 -25.258) 27.312 32.368 ( 5.666 -8.711 25.258) 27.312 33.405 ( 0.243 2.574 -7.443) 7.879 33.405 ( 0.243 2.574 7.443) 7.879 ======================= Grid point 210 (66/75) ======================= q-point: ( 0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.735 ( 5.325 -3.302 -4.216) 7.552 1.735 ( 5.325 -3.302 4.216) 7.552 2.308 ( -10.156 4.008 -16.134) 19.481 2.308 ( -10.156 4.008 16.134) 19.481 2.791 ( -0.143 -5.493 -12.470) 13.626 2.791 ( -0.143 -5.493 12.470) 13.626 2.960 ( -5.181 2.940 -8.319) 10.232 2.960 ( -5.181 2.940 8.319) 10.232 3.121 ( -7.886 5.691 -2.692) 10.091 3.121 ( -7.886 5.691 2.692) 10.091 3.479 ( 5.051 -4.000 -1.632) 6.647 3.479 ( 5.051 -4.000 1.632) 6.647 3.906 ( -10.029 1.653 -10.269) 14.449 3.906 ( -10.029 1.653 10.269) 14.449 4.144 ( -0.515 -0.830 -5.840) 5.921 4.144 ( -0.515 -0.830 5.840) 5.921 4.383 ( -2.273 0.349 -5.769) 6.210 4.383 ( -2.273 0.349 5.769) 6.210 4.550 ( 0.541 0.513 -1.739) 1.892 4.550 ( 0.541 0.513 1.739) 1.892 4.659 ( 7.411 0.161 -4.165) 8.503 4.659 ( 7.411 0.161 4.165) 8.503 4.862 ( 9.508 1.457 -3.002) 10.077 4.862 ( 9.508 1.457 3.002) 10.077 5.140 ( -3.526 2.967 -8.318) 9.509 5.140 ( -3.526 2.967 8.318) 9.509 5.680 ( -2.631 16.844 -1.905) 17.155 5.680 ( -2.631 16.844 1.905) 17.155 6.013 ( -7.074 0.107 -2.092) 7.377 6.013 ( -7.074 0.107 2.092) 7.377 6.359 ( 3.554 -3.340 -8.589) 9.878 6.359 ( 3.554 -3.340 8.589) 9.878 6.743 ( -2.572 -8.897 -4.400) 10.253 6.743 ( -2.572 -8.897 4.400) 10.253 7.257 ( -1.115 -1.533 -5.991) 6.283 7.257 ( -1.115 -1.533 5.991) 6.283 7.794 ( -8.236 -2.073 -1.346) 8.599 7.794 ( -8.236 -2.073 1.346) 8.599 8.344 ( -14.573 1.551 -7.067) 16.270 8.344 ( -14.573 1.551 7.067) 16.270 10.234 ( -3.013 -0.770 -2.431) 3.947 10.234 ( -3.013 -0.770 2.431) 3.947 10.697 ( -1.030 -2.188 -3.350) 4.132 10.697 ( -1.030 -2.188 3.350) 4.132 12.321 ( -0.713 -1.545 -1.815) 2.488 12.321 ( -0.713 -1.545 1.815) 2.488 12.600 ( 4.284 -0.181 -2.844) 5.146 12.600 ( 4.284 -0.181 2.844) 5.146 15.485 ( -4.116 -0.081 -3.666) 5.512 15.485 ( -4.116 -0.081 3.666) 5.512 15.810 ( 4.355 0.276 -6.002) 7.420 15.810 ( 4.355 0.276 6.002) 7.420 16.049 ( 1.395 1.912 -0.446) 2.408 16.049 ( 1.395 1.912 0.446) 2.408 16.446 ( 2.948 6.646 -4.781) 8.702 16.446 ( 2.948 6.646 4.781) 8.702 17.550 ( 3.479 8.845 -7.072) 11.847 17.550 ( 3.479 8.845 7.072) 11.847 18.039 ( 2.557 4.959 -2.241) 6.012 18.039 ( 2.557 4.959 2.241) 6.012 19.632 ( 0.879 -23.618 -3.317) 23.866 19.632 ( 0.879 -23.618 3.317) 23.866 27.359 ( -15.553 -2.097 -2.989) 15.976 27.359 ( -15.553 -2.097 2.989) 15.976 28.212 ( -8.655 1.659 -2.877) 9.271 28.212 ( -8.655 1.659 2.877) 9.271 28.501 ( 5.669 0.568 -4.771) 7.431 28.501 ( 5.669 0.568 4.771) 7.431 28.850 ( 0.291 1.967 -0.111) 1.992 28.850 ( 0.291 1.967 0.111) 1.992 30.418 ( 0.487 -1.028 -3.026) 3.233 30.418 ( 0.487 -1.028 3.026) 3.233 30.823 ( 0.878 4.788 -7.750) 9.152 30.823 ( 0.878 4.788 7.750) 9.152 32.451 ( -6.436 -7.545 -24.970) 26.867 32.451 ( -6.436 -7.545 24.970) 26.867 33.541 ( 17.332 -0.330 -1.569) 17.406 33.541 ( 17.332 -0.330 1.569) 17.406 ======================= Grid point 212 (67/75) ======================= q-point: (-0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.708 ( -3.148 11.069 -1.685) 11.631 1.708 ( -3.148 11.069 1.685) 11.631 2.104 ( -19.661 0.389 -7.001) 20.874 2.104 ( -19.661 0.389 7.001) 20.874 2.603 ( -10.218 -2.382 -18.260) 21.060 2.603 ( -10.218 -2.382 18.260) 21.060 2.910 ( -9.449 5.253 -3.683) 11.421 2.910 ( -9.449 5.253 3.683) 11.421 3.037 ( 5.701 0.250 -8.576) 10.301 3.037 ( 5.701 0.250 8.576) 10.301 3.633 ( 6.046 -1.363 -2.260) 6.597 3.633 ( 6.046 -1.363 2.260) 6.597 3.697 ( -12.476 -0.359 -7.738) 14.686 3.697 ( -12.476 -0.359 7.738) 14.686 4.114 ( -4.054 -1.228 -6.227) 7.531 4.114 ( -4.054 -1.228 6.227) 7.531 4.347 ( 1.107 2.710 -6.067) 6.736 4.347 ( 1.107 2.710 6.067) 6.736 4.525 ( -1.751 2.255 -1.999) 3.485 4.525 ( -1.751 2.255 1.999) 3.485 4.732 ( 3.096 5.923 -11.178) 13.024 4.732 ( 3.096 5.923 11.178) 13.024 4.953 ( 4.882 1.076 -5.824) 7.675 4.953 ( 4.882 1.076 5.824) 7.675 5.101 ( 3.247 2.855 -6.172) 7.535 5.101 ( 3.247 2.855 6.172) 7.535 5.467 ( -0.982 10.916 -2.042) 11.148 5.467 ( -0.982 10.916 2.042) 11.148 5.868 ( -10.103 0.623 -4.228) 10.970 5.868 ( -10.103 0.623 4.228) 10.970 6.418 ( 1.271 -0.794 -8.324) 8.457 6.418 ( 1.271 -0.794 8.324) 8.457 6.855 ( 0.865 -9.433 -7.432) 12.040 6.855 ( 0.865 -9.433 7.432) 12.040 7.290 ( 2.063 -4.045 -5.885) 7.433 7.290 ( 2.063 -4.045 5.885) 7.433 7.703 ( -8.295 -4.691 -2.275) 9.797 7.703 ( -8.295 -4.691 2.275) 9.797 8.122 ( -13.811 -1.297 -7.532) 15.785 8.122 ( -13.811 -1.297 7.532) 15.785 10.204 ( -2.467 -1.406 -4.143) 5.023 10.204 ( -2.467 -1.406 4.143) 5.023 10.728 ( 0.353 -3.546 -4.708) 5.905 10.728 ( 0.353 -3.546 4.708) 5.905 12.317 ( -1.284 -0.598 -1.651) 2.175 12.317 ( -1.284 -0.598 1.651) 2.175 12.663 ( 3.607 0.114 -1.911) 4.083 12.663 ( 3.607 0.114 1.911) 4.083 15.437 ( -2.448 -0.210 -4.311) 4.962 15.437 ( -2.448 -0.210 4.311) 4.962 15.863 ( 3.270 0.894 -4.529) 5.657 15.863 ( 3.270 0.894 4.529) 5.657 16.036 ( 0.576 2.670 -1.873) 3.312 16.036 ( 0.576 2.670 1.873) 3.312 16.395 ( 2.135 8.411 -7.662) 11.576 16.395 ( 2.135 8.411 7.662) 11.576 17.489 ( 1.913 7.486 -8.857) 11.754 17.489 ( 1.913 7.486 8.857) 11.754 18.034 ( 2.538 1.979 -4.316) 5.384 18.034 ( 2.538 1.979 4.316) 5.384 19.970 ( 5.650 -23.027 -6.330) 24.541 19.970 ( 5.650 -23.027 6.330) 24.541 27.147 ( -14.826 -2.068 -1.780) 15.075 27.147 ( -14.826 -2.068 1.780) 15.075 28.033 ( -10.609 1.678 -0.883) 10.778 28.033 ( -10.609 1.678 0.883) 10.778 28.560 ( 3.235 2.114 -2.546) 4.628 28.560 ( 3.235 2.114 2.546) 4.628 28.858 ( 1.995 -0.393 -0.731) 2.161 28.858 ( 1.995 -0.393 0.731) 2.161 30.435 ( 0.298 -0.628 -3.988) 4.048 30.435 ( 0.298 -0.628 3.988) 4.048 30.769 ( 0.227 5.532 -6.887) 8.836 30.769 ( 0.227 5.532 6.887) 8.836 32.400 ( -6.458 -1.842 -16.561) 17.871 32.400 ( -6.458 -1.842 16.561) 17.871 33.883 ( 19.533 -7.216 -5.075) 21.433 33.883 ( 19.533 -7.216 5.075) 21.433 ======================= Grid point 214 (68/75) ======================= q-point: (-0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.427 ( -18.601 8.200 -11.967) 23.589 1.427 ( -18.601 8.200 11.967) 23.589 1.684 ( -14.090 12.570 -6.542) 19.984 1.684 ( -14.090 12.570 6.542) 19.984 2.632 ( 1.449 0.548 -11.643) 11.746 2.632 ( 1.449 0.548 11.643) 11.746 2.734 ( -5.568 -0.874 -15.029) 16.051 2.734 ( -5.568 -0.874 15.029) 16.051 3.055 ( 0.196 3.634 -4.073) 5.462 3.055 ( 0.196 3.634 4.073) 5.462 3.399 ( -9.045 10.516 -13.488) 19.347 3.399 ( -9.045 10.516 13.488) 19.347 3.815 ( 5.944 -2.134 -4.365) 7.677 3.815 ( 5.944 -2.134 4.365) 7.677 4.057 ( -5.376 -0.508 -5.610) 7.787 4.057 ( -5.376 -0.508 5.610) 7.787 4.310 ( 0.974 7.276 -5.255) 9.028 4.310 ( 0.974 7.276 5.255) 9.028 4.446 ( -1.043 5.164 -7.510) 9.174 4.446 ( -1.043 5.164 7.510) 9.174 4.714 ( -0.546 -3.870 -12.295) 12.901 4.714 ( -0.546 -3.870 12.295) 12.901 4.986 ( 4.999 5.938 -2.045) 8.028 4.986 ( 4.999 5.938 2.045) 8.028 5.103 ( -0.052 1.670 -1.145) 2.026 5.103 ( -0.052 1.670 1.145) 2.026 5.414 ( 0.607 0.681 -1.056) 1.396 5.414 ( 0.607 0.681 1.056) 1.396 5.730 ( -6.725 -1.741 -5.690) 8.979 5.730 ( -6.725 -1.741 5.690) 8.979 6.433 ( 0.719 0.647 -7.622) 7.683 6.433 ( 0.719 0.647 7.622) 7.683 6.941 ( 0.681 -2.263 -12.673) 12.891 6.941 ( 0.681 -2.263 12.673) 12.891 7.435 ( 6.949 -7.213 -6.043) 11.698 7.435 ( 6.949 -7.213 6.043) 11.698 7.668 ( -6.144 -9.404 -4.850) 12.235 7.668 ( -6.144 -9.404 4.850) 12.235 7.951 ( -12.049 -3.616 -7.006) 14.399 7.951 ( -12.049 -3.616 7.006) 14.399 10.194 ( -1.314 -1.854 -5.387) 5.847 10.194 ( -1.314 -1.854 5.387) 5.847 10.786 ( 0.693 -4.350 -5.551) 7.087 10.786 ( 0.693 -4.350 5.551) 7.087 12.299 ( -0.964 0.538 -0.835) 1.384 12.299 ( -0.964 0.538 0.835) 1.384 12.703 ( 2.164 1.034 -1.136) 2.654 12.703 ( 2.164 1.034 1.136) 2.654 15.412 ( -1.169 -0.107 -4.690) 4.835 15.412 ( -1.169 -0.107 4.690) 4.835 15.884 ( 1.413 1.653 -2.362) 3.211 15.884 ( 1.413 1.653 2.362) 3.211 16.009 ( 0.402 2.876 -3.891) 4.855 16.009 ( 0.402 2.876 3.891) 4.855 16.311 ( 0.724 8.935 -10.119) 13.519 16.311 ( 0.724 8.935 10.119) 13.519 17.440 ( 0.724 3.856 -9.720) 10.482 17.440 ( 0.724 3.856 9.720) 10.482 18.066 ( 2.386 -0.365 -4.633) 5.224 18.066 ( 2.386 -0.365 4.633) 5.224 20.334 ( 6.633 -20.562 -11.471) 24.461 20.334 ( 6.633 -20.562 11.471) 24.461 26.963 ( -10.647 -0.812 -0.101) 10.678 26.963 ( -10.647 -0.812 0.101) 10.678 27.870 ( -6.989 1.904 -1.153) 7.335 27.870 ( -6.989 1.904 1.153) 7.335 28.560 ( 0.765 2.321 -1.789) 3.029 28.560 ( 0.765 2.321 1.789) 3.029 28.905 ( 2.072 -1.325 -2.948) 3.839 28.905 ( 2.072 -1.325 2.948) 3.839 30.436 ( 0.010 1.090 -3.292) 3.468 30.436 ( 0.010 1.090 3.292) 3.468 30.705 ( -0.212 4.804 -4.815) 6.805 30.705 ( -0.212 4.804 4.815) 6.805 32.306 ( -3.325 5.008 -8.996) 10.820 32.306 ( -3.325 5.008 8.996) 10.820 34.287 ( 13.874 -15.810 -9.601) 23.122 34.287 ( 13.874 -15.810 9.601) 23.122 ======================= Grid point 216 (69/75) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -0.000 9.233 -13.624) 16.457 1.098 ( -0.000 9.233 13.624) 16.457 1.472 ( -0.000 8.958 -16.277) 18.579 1.472 ( -0.000 8.958 16.277) 18.579 2.508 ( -0.000 12.446 -0.980) 12.484 2.508 ( -0.000 12.446 0.980) 12.484 2.748 ( -0.000 4.337 -28.251) 28.582 2.748 ( -0.000 4.337 28.251) 28.582 2.975 ( -0.000 5.083 -4.335) 6.681 2.975 ( -0.000 5.083 4.335) 6.681 3.243 ( -0.000 3.640 -18.477) 18.832 3.243 ( -0.000 3.640 18.477) 18.832 3.848 ( -0.000 4.202 -6.244) 7.526 3.848 ( -0.000 4.202 6.244) 7.526 3.984 ( -0.000 1.975 -5.112) 5.480 3.984 ( -0.000 1.975 5.112) 5.480 4.228 ( -0.000 6.156 -7.578) 9.764 4.228 ( -0.000 6.156 7.578) 9.764 4.390 ( -0.000 4.705 -15.455) 16.155 4.390 ( -0.000 4.705 15.455) 16.155 4.786 ( 0.000 -6.802 -10.511) 12.520 4.786 ( 0.000 -6.802 10.511) 12.520 5.028 ( 0.000 -2.624 -13.269) 13.526 5.028 ( 0.000 -2.624 13.269) 13.526 5.053 ( -0.000 1.051 -6.776) 6.857 5.053 ( -0.000 1.051 6.776) 6.857 5.396 ( -0.000 2.243 -2.906) 3.671 5.396 ( -0.000 2.243 2.906) 3.671 5.737 ( 0.000 -6.795 -5.534) 8.763 5.737 ( 0.000 -6.795 5.534) 8.763 6.417 ( -0.000 3.492 -7.855) 8.596 6.417 ( -0.000 3.492 7.855) 8.596 6.948 ( -0.000 1.116 -13.682) 13.727 6.948 ( -0.000 1.116 13.682) 13.727 7.562 ( 0.000 -2.474 -1.158) 2.731 7.562 ( 0.000 -2.474 1.158) 2.731 7.837 ( 0.000 -22.557 -12.411) 25.746 7.837 ( 0.000 -22.557 12.411) 25.746 7.843 ( 0.000 -0.001 -4.916) 4.916 7.843 ( 0.000 -0.001 4.916) 4.916 10.207 ( 0.000 -1.965 -6.136) 6.443 10.207 ( 0.000 -1.965 6.136) 6.443 10.845 ( 0.000 -4.290 -5.897) 7.293 10.845 ( 0.000 -4.290 5.897) 7.293 12.279 ( -0.000 1.479 -0.852) 1.707 12.279 ( -0.000 1.479 0.852) 1.707 12.697 ( -0.000 3.100 -1.080) 3.283 12.697 ( -0.000 3.100 1.080) 3.283 15.402 ( -0.000 0.136 -4.419) 4.421 15.402 ( -0.000 0.136 4.419) 4.421 15.873 ( -0.000 1.502 -1.705) 2.272 15.873 ( -0.000 1.502 1.705) 2.272 15.980 ( -0.000 2.623 -4.454) 5.169 15.980 ( -0.000 2.623 4.454) 5.169 16.218 ( -0.000 6.561 -10.165) 12.099 16.218 ( -0.000 6.561 10.165) 12.099 17.416 ( -0.000 1.326 -9.641) 9.732 17.416 ( -0.000 1.326 9.641) 9.732 18.094 ( 0.000 -0.354 -4.534) 4.547 18.094 ( 0.000 -0.354 4.534) 4.547 20.626 ( 0.000 -16.955 -18.246) 24.908 20.626 ( 0.000 -16.955 18.246) 24.908 26.871 ( -0.000 0.430 -1.433) 1.497 26.871 ( -0.000 0.430 1.433) 1.497 27.789 ( -0.000 1.948 -1.415) 2.407 27.789 ( -0.000 1.948 1.415) 2.407 28.538 ( -0.000 2.114 -4.267) 4.762 28.538 ( -0.000 2.114 4.267) 4.762 28.937 ( 0.000 -0.761 -3.779) 3.855 28.937 ( 0.000 -0.761 3.779) 3.855 30.410 ( -0.000 3.084 -1.140) 3.288 30.410 ( -0.000 3.084 1.140) 3.288 30.657 ( -0.000 2.418 -3.982) 4.659 30.657 ( -0.000 2.418 3.982) 4.659 32.173 ( -0.000 12.930 -4.837) 13.805 32.173 ( -0.000 12.930 4.837) 13.805 34.647 ( 0.000 -23.644 -12.826) 26.899 34.647 ( 0.000 -23.644 12.826) 26.899 ======================= Grid point 226 (70/75) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 5.513 0.000 -4.051) 6.841 1.618 ( 5.513 0.000 4.051) 6.841 2.396 ( -15.657 -0.000 -12.288) 19.903 2.396 ( -15.657 -0.000 12.288) 19.903 2.674 ( 9.759 0.000 -20.425) 22.637 2.674 ( 9.759 0.000 20.425) 22.637 3.001 ( -8.128 -0.000 -2.965) 8.652 3.001 ( -8.128 -0.000 2.965) 8.652 3.268 ( -5.957 -0.000 -0.709) 5.999 3.268 ( -5.957 -0.000 0.709) 5.999 3.416 ( 1.591 0.000 -4.136) 4.432 3.416 ( 1.591 0.000 4.136) 4.432 3.931 ( -8.758 -0.000 -8.792) 12.409 3.931 ( -8.758 -0.000 8.792) 12.409 4.126 ( 0.758 0.000 -6.113) 6.159 4.126 ( 0.758 0.000 6.113) 6.159 4.359 ( 1.938 0.000 -5.234) 5.581 4.359 ( 1.938 0.000 5.234) 5.581 4.557 ( -1.410 -0.000 -2.721) 3.065 4.557 ( -1.410 -0.000 2.721) 3.065 4.658 ( 5.420 0.000 -5.125) 7.459 4.658 ( 5.420 0.000 5.125) 7.459 4.893 ( 10.798 0.000 -5.456) 12.098 4.893 ( 10.798 0.000 5.456) 12.098 5.202 ( -1.866 -0.000 -18.562) 18.656 5.202 ( -1.866 -0.000 18.562) 18.656 5.883 ( -5.168 -0.000 -1.606) 5.412 5.883 ( -5.168 -0.000 1.606) 5.412 6.067 ( 0.298 0.000 -6.668) 6.675 6.067 ( 0.298 0.000 6.668) 6.675 6.273 ( 1.073 0.000 -0.700) 1.281 6.273 ( 1.073 0.000 0.700) 1.281 6.621 ( -6.240 -0.000 -5.050) 8.027 6.621 ( -6.240 -0.000 5.050) 8.027 7.235 ( -1.283 -0.000 -7.739) 7.845 7.235 ( -1.283 -0.000 7.739) 7.845 7.771 ( -8.946 -0.000 -1.295) 9.040 7.771 ( -8.946 -0.000 1.295) 9.040 8.369 ( -16.422 -0.000 -7.218) 17.938 8.369 ( -16.422 -0.000 7.218) 17.938 10.224 ( -3.319 -0.000 -2.086) 3.920 10.224 ( -3.319 -0.000 2.086) 3.920 10.669 ( -1.570 -0.000 -3.482) 3.820 10.669 ( -1.570 -0.000 3.482) 3.820 12.298 ( -0.047 -0.000 -0.541) 0.543 12.298 ( -0.047 -0.000 0.541) 0.543 12.597 ( 4.268 0.000 -4.330) 6.080 12.597 ( 4.268 0.000 4.330) 6.080 15.485 ( -4.139 -0.000 -4.005) 5.759 15.485 ( -4.139 -0.000 4.005) 5.759 15.813 ( 4.719 0.000 -6.627) 8.136 15.813 ( 4.719 0.000 6.627) 8.136 16.075 ( 1.462 0.000 -0.912) 1.723 16.075 ( 1.462 0.000 0.912) 1.723 16.528 ( 1.883 0.000 -2.798) 3.372 16.528 ( 1.883 0.000 2.798) 3.372 17.676 ( 3.057 0.000 -7.149) 7.775 17.676 ( 3.057 0.000 7.149) 7.775 18.181 ( 6.705 0.000 -0.418) 6.719 18.181 ( 6.705 0.000 0.418) 6.719 19.236 ( -2.404 -0.000 -5.153) 5.686 19.236 ( -2.404 -0.000 5.153) 5.686 27.334 ( -15.091 -0.000 -2.262) 15.259 27.334 ( -15.091 -0.000 2.262) 15.259 28.233 ( -9.282 -0.000 -2.143) 9.526 28.233 ( -9.282 -0.000 2.143) 9.526 28.508 ( 6.956 0.000 -6.335) 9.408 28.508 ( 6.956 0.000 6.335) 9.408 28.878 ( -1.894 -0.000 -1.104) 2.192 28.878 ( -1.894 -0.000 1.104) 2.192 30.405 ( 0.479 0.000 -1.751) 1.816 30.405 ( 0.479 0.000 1.751) 1.816 30.892 ( 0.983 0.000 -7.198) 7.264 30.892 ( 0.983 0.000 7.198) 7.264 32.334 ( -2.433 -0.000 -28.249) 28.354 32.334 ( -2.433 -0.000 28.249) 28.354 33.545 ( 13.960 0.000 -1.004) 13.996 33.545 ( 13.960 0.000 1.004) 13.996 ======================= Grid point 228 (71/75) ======================= q-point: (-0.56 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.731 ( 2.995 -6.306 -2.682) 7.478 1.731 ( 2.995 -6.306 2.682) 7.479 2.075 ( -24.492 0.441 -11.030) 26.864 2.075 ( -24.492 0.441 11.030) 26.864 2.734 ( -4.609 9.196 -9.664) 14.114 2.734 ( -4.609 9.196 9.664) 14.114 2.927 ( 1.012 -5.033 -7.432) 9.033 2.927 ( 1.012 -5.033 7.432) 9.033 3.068 ( -8.737 2.498 -4.594) 10.182 3.068 ( -8.737 2.498 4.594) 10.182 3.469 ( -1.420 -3.534 -3.851) 5.417 3.469 ( -1.420 -3.534 3.851) 5.417 3.812 ( -4.409 3.944 -7.286) 9.385 3.812 ( -4.409 3.944 7.286) 9.385 4.097 ( -4.215 -1.111 -4.350) 6.158 4.097 ( -4.215 -1.111 4.350) 6.158 4.330 ( -4.327 -2.107 -4.585) 6.647 4.330 ( -4.327 -2.107 4.585) 6.647 4.567 ( 2.087 1.684 -0.800) 2.798 4.567 ( 2.087 1.684 0.800) 2.798 4.806 ( 11.593 -0.589 -5.418) 12.810 4.806 ( 11.593 -0.589 5.418) 12.810 5.033 ( 6.942 3.117 -8.896) 11.707 5.033 ( 6.942 3.117 8.896) 11.707 5.165 ( 2.176 3.652 -10.849) 11.652 5.165 ( 2.176 3.652 10.849) 11.652 5.759 ( -7.296 4.264 -2.032) 8.692 5.759 ( -7.296 4.264 2.032) 8.692 5.974 ( -3.709 11.055 -6.604) 13.400 5.974 ( -3.709 11.055 6.604) 13.400 6.331 ( 0.676 -6.220 -6.373) 8.931 6.331 ( 0.676 -6.220 6.373) 8.931 6.592 ( -2.833 -8.379 -4.746) 10.038 6.592 ( -2.833 -8.379 4.746) 10.038 7.235 ( 0.595 -1.078 -8.249) 8.340 7.235 ( 0.595 -1.078 8.249) 8.340 7.635 ( -9.031 -1.282 -1.767) 9.291 7.635 ( -9.031 -1.282 1.767) 9.291 8.121 ( -14.838 0.316 -7.368) 16.570 8.121 ( -14.838 0.316 7.368) 16.570 10.179 ( -2.744 -0.565 -3.726) 4.662 10.179 ( -2.744 -0.565 3.726) 4.662 10.663 ( -0.418 -1.535 -4.815) 5.071 10.663 ( -0.418 -1.535 4.815) 5.071 12.298 ( -0.542 -0.647 -1.263) 1.518 12.298 ( -0.542 -0.647 1.263) 1.518 12.658 ( 3.337 -0.255 -4.675) 5.749 12.658 ( 3.337 -0.255 4.675) 5.749 15.435 ( -2.374 -0.012 -4.919) 5.462 15.435 ( -2.374 -0.012 4.919) 5.462 15.880 ( 4.076 0.438 -5.836) 7.132 15.880 ( 4.076 0.438 5.836) 7.132 16.084 ( 0.616 1.110 -2.726) 3.007 16.084 ( 0.616 1.110 2.726) 3.007 16.536 ( 1.534 2.812 -4.328) 5.384 16.536 ( 1.534 2.812 4.328) 5.384 17.679 ( 1.448 4.928 -8.575) 9.996 17.679 ( 1.448 4.928 8.575) 9.996 18.195 ( 4.475 10.778 -2.133) 11.863 18.195 ( 4.475 10.778 2.133) 11.863 19.374 ( 2.003 -21.217 -6.995) 22.430 19.374 ( 2.003 -21.217 6.995) 22.430 27.117 ( -13.196 -0.580 -0.576) 13.221 27.117 ( -13.196 -0.580 0.576) 13.221 28.065 ( -10.449 0.806 -0.795) 10.510 28.065 ( -10.449 0.806 0.795) 10.510 28.595 ( 3.822 0.716 -5.351) 6.615 28.595 ( 3.822 0.716 5.351) 6.615 28.854 ( -0.475 -0.002 -0.112) 0.488 28.854 ( -0.475 -0.002 0.112) 0.488 30.417 ( 0.623 -0.533 -3.160) 3.265 30.417 ( 0.623 -0.533 3.160) 3.265 30.885 ( 0.712 3.106 -7.335) 7.997 30.885 ( 0.712 3.106 7.335) 7.997 32.308 ( -3.524 -3.430 -24.096) 24.593 32.308 ( -3.524 -3.430 24.096) 24.593 33.788 ( 15.335 -1.479 -1.715) 15.502 33.788 ( 15.335 -1.479 1.715) 15.502 ======================= Grid point 230 (72/75) ======================= q-point: (-0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.585 ( -24.126 4.189 -10.076) 26.479 1.585 ( -24.126 4.189 10.076) 26.479 1.885 ( -2.271 -3.475 -5.111) 6.585 1.885 ( -2.271 -3.475 5.111) 6.585 2.523 ( -2.799 6.783 -24.866) 25.926 2.523 ( -2.799 6.783 24.866) 25.926 2.839 ( -6.617 3.132 -1.538) 7.480 2.839 ( -6.617 3.132 1.538) 7.480 3.144 ( 6.742 -0.887 -8.304) 10.733 3.144 ( 6.742 -0.887 8.304) 10.733 3.435 ( -10.505 -8.241 -8.802) 15.992 3.435 ( -10.505 -8.241 8.802) 15.992 3.732 ( 2.368 4.060 -6.661) 8.152 3.732 ( 2.368 4.060 6.661) 8.152 4.039 ( -4.021 -0.268 -8.001) 8.959 4.039 ( -4.021 -0.268 8.001) 8.959 4.347 ( -0.134 -6.410 -7.008) 9.498 4.347 ( -0.134 -6.410 7.008) 9.498 4.538 ( -0.086 5.921 -2.218) 6.324 4.538 ( -0.086 5.921 2.218) 6.324 4.904 ( 3.075 11.234 -14.942) 18.945 4.904 ( 3.075 11.234 14.942) 18.945 5.036 ( 4.641 0.906 -7.625) 8.972 5.036 ( 4.641 0.906 7.625) 8.972 5.232 ( 8.307 3.671 -7.583) 11.832 5.232 ( 8.307 3.671 7.583) 11.832 5.561 ( -7.470 8.502 -1.889) 11.474 5.561 ( -7.470 8.502 1.889) 11.474 5.765 ( -5.361 8.416 -8.290) 12.972 5.765 ( -5.361 8.416 8.290) 12.972 6.396 ( -0.131 -3.799 -7.034) 7.995 6.396 ( -0.131 -3.799 7.034) 7.995 6.725 ( 0.659 -13.987 -5.954) 15.216 6.725 ( 0.659 -13.987 5.954) 15.216 7.286 ( 2.844 -3.340 -9.152) 10.150 7.286 ( 2.844 -3.340 9.152) 10.150 7.537 ( -6.471 -2.639 -1.957) 7.257 7.537 ( -6.471 -2.639 1.957) 7.257 7.923 ( -9.993 -0.191 -6.203) 11.763 7.923 ( -9.993 -0.191 6.203) 11.763 10.156 ( -1.467 -1.154 -4.724) 5.079 10.156 ( -1.467 -1.154 4.724) 5.079 10.690 ( 0.144 -3.183 -5.491) 6.349 10.690 ( 0.144 -3.183 5.491) 6.349 12.296 ( -0.574 -0.536 -1.750) 1.918 12.296 ( -0.574 -0.536 1.750) 1.918 12.703 ( 1.878 -0.471 -3.964) 4.411 12.703 ( 1.878 -0.471 3.964) 4.411 15.410 ( -0.968 -0.039 -5.552) 5.636 15.410 ( -0.968 -0.039 5.552) 5.636 15.922 ( 2.423 1.311 -3.897) 4.772 15.922 ( 2.423 1.311 3.897) 4.772 16.069 ( -0.004 1.922 -4.553) 4.942 16.069 ( -0.004 1.922 4.553) 4.942 16.506 ( 0.920 5.631 -6.880) 8.938 16.506 ( 0.920 5.631 6.880) 8.938 17.611 ( 0.599 8.475 -8.908) 12.311 17.611 ( 0.599 8.475 8.908) 12.311 18.126 ( 2.259 7.569 -3.206) 8.525 18.126 ( 2.259 7.569 3.206) 8.525 19.725 ( 3.042 -27.983 -7.838) 29.219 19.725 ( 3.042 -27.983 7.838) 29.219 26.952 ( -8.378 -0.224 -0.917) 8.431 26.952 ( -8.378 -0.224 0.917) 8.431 27.915 ( -6.558 1.571 -1.457) 6.899 27.915 ( -6.558 1.571 1.457) 6.899 28.610 ( 0.501 1.592 -1.112) 2.005 28.610 ( 0.501 1.592 1.112) 2.005 28.870 ( 1.079 -1.297 -1.799) 2.466 28.870 ( 1.079 -1.297 1.799) 2.466 30.433 ( 0.410 -0.673 -4.310) 4.382 30.433 ( 0.410 -0.673 4.310) 4.382 30.842 ( 0.347 5.357 -7.681) 9.371 30.842 ( 0.347 5.357 7.681) 9.371 32.305 ( -2.150 -3.094 -18.753) 19.128 32.305 ( -2.150 -3.094 18.753) 19.128 34.032 ( 10.000 -5.914 -0.505) 11.629 34.032 ( 10.000 -5.914 0.505) 11.629 ======================= Grid point 232 (73/75) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -0.000 6.339 -13.488) 14.903 1.288 ( -0.000 6.339 13.488) 14.903 1.792 ( -0.000 13.591 -1.750) 13.703 1.792 ( -0.000 13.591 1.750) 13.703 2.550 ( 0.000 -10.750 -28.193) 30.173 2.550 ( 0.000 -10.750 28.193) 30.173 2.736 ( -0.000 5.558 -1.725) 5.819 2.736 ( -0.000 5.558 1.725) 5.819 3.133 ( -0.000 7.793 -3.909) 8.719 3.133 ( -0.000 7.793 3.909) 8.719 3.404 ( -0.000 1.169 -23.113) 23.143 3.404 ( -0.000 1.169 23.113) 23.143 3.795 ( 0.000 -8.241 -6.036) 10.215 3.795 ( 0.000 -8.241 6.036) 10.215 4.003 ( -0.000 0.043 -8.937) 8.937 4.003 ( -0.000 0.043 8.937) 8.937 4.431 ( -0.000 9.470 -4.035) 10.294 4.431 ( -0.000 9.470 4.035) 10.294 4.436 ( 0.000 -4.712 -5.184) 7.005 4.436 ( 0.000 -4.712 5.184) 7.005 4.758 ( -0.000 11.346 -17.308) 20.695 4.758 ( -0.000 11.346 17.308) 20.695 5.077 ( -0.000 0.780 -6.180) 6.229 5.077 ( -0.000 0.780 6.180) 6.229 5.197 ( -0.000 13.324 -6.590) 14.865 5.197 ( -0.000 13.324 6.590) 14.865 5.441 ( -0.000 1.308 -2.103) 2.477 5.441 ( -0.000 1.308 2.103) 2.477 5.655 ( -0.000 1.206 -8.908) 8.989 5.655 ( -0.000 1.206 8.908) 8.989 6.428 ( 0.000 -1.837 -6.916) 7.156 6.428 ( 0.000 -1.837 6.916) 7.156 6.881 ( 0.000 -9.323 -10.485) 14.030 6.881 ( 0.000 -9.323 10.485) 14.030 7.409 ( 0.000 -11.094 -11.747) 16.158 7.409 ( 0.000 -11.094 11.747) 16.158 7.503 ( 0.000 -2.218 -1.377) 2.610 7.503 ( 0.000 -2.218 1.377) 2.610 7.841 ( 0.000 -0.164 -5.096) 5.098 7.841 ( 0.000 -0.164 5.096) 5.098 10.162 ( 0.000 -1.637 -5.334) 5.580 10.162 ( 0.000 -1.637 5.334) 5.580 10.738 ( 0.000 -4.252 -5.753) 7.154 10.738 ( 0.000 -4.252 5.753) 7.154 12.295 ( 0.000 -0.070 -1.550) 1.552 12.295 ( 0.000 -0.070 1.550) 1.552 12.723 ( 0.000 -0.207 -2.532) 2.541 12.723 ( 0.000 -0.207 2.532) 2.541 15.403 ( 0.000 -0.001 -5.511) 5.511 15.403 ( 0.000 -0.001 5.511) 5.511 15.919 ( -0.000 1.990 -2.087) 2.883 15.919 ( -0.000 1.990 2.087) 2.883 16.043 ( -0.000 2.378 -5.433) 5.931 16.043 ( -0.000 2.378 5.433) 5.931 16.427 ( -0.000 8.548 -9.431) 12.729 16.427 ( -0.000 8.548 9.431) 12.729 17.514 ( -0.000 7.551 -9.308) 11.985 17.514 ( -0.000 7.551 9.308) 11.985 18.090 ( -0.000 1.843 -3.166) 3.664 18.090 ( -0.000 1.843 3.166) 3.664 20.090 ( 0.000 -27.078 -9.551) 28.713 20.090 ( 0.000 -27.078 9.551) 28.713 26.881 ( -0.000 0.349 -1.626) 1.663 26.881 ( -0.000 0.349 1.626) 1.663 27.840 ( -0.000 2.071 -1.722) 2.694 27.840 ( -0.000 2.071 1.722) 2.694 28.590 ( -0.000 2.016 -1.229) 2.361 28.590 ( -0.000 2.016 1.229) 2.361 28.900 ( 0.000 -1.878 -3.042) 3.575 28.900 ( 0.000 -1.878 3.042) 3.575 30.442 ( 0.000 -0.147 -4.608) 4.610 30.442 ( 0.000 -0.147 4.608) 4.610 30.773 ( -0.000 6.233 -7.113) 9.457 30.773 ( -0.000 6.233 7.113) 9.457 32.309 ( 0.000 -0.179 -13.684) 13.685 32.309 ( 0.000 -0.179 13.684) 13.685 34.221 ( 0.000 -11.742 -4.135) 12.449 34.221 ( 0.000 -11.742 4.135) 12.449 ======================= Grid point 246 (74/75) ======================= q-point: ( 0.44 -0.56 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( -22.084 -0.000 -8.302) 23.593 1.627 ( -22.084 -0.000 8.302) 23.593 1.753 ( -1.883 -0.000 -5.069) 5.408 1.753 ( -1.883 -0.000 5.069) 5.408 2.787 ( -2.764 -0.000 -15.938) 16.175 2.787 ( -2.764 -0.000 15.938) 16.175 2.896 ( -9.174 -0.000 -1.837) 9.356 2.896 ( -9.174 -0.000 1.837) 9.356 2.934 ( 5.291 0.000 -18.228) 18.981 2.934 ( 5.291 0.000 18.228) 18.981 3.376 ( -6.785 -0.000 -2.182) 7.128 3.376 ( -6.785 -0.000 2.182) 7.128 3.830 ( 1.367 0.000 -5.689) 5.851 3.830 ( 1.367 0.000 5.689) 5.851 4.029 ( -2.892 -0.000 -4.795) 5.599 4.029 ( -2.892 -0.000 4.795) 5.599 4.229 ( -4.560 -0.000 -2.442) 5.173 4.229 ( -4.560 -0.000 2.442) 5.173 4.627 ( 2.496 0.000 -1.285) 2.808 4.627 ( 2.496 0.000 1.285) 2.808 4.983 ( 10.565 0.000 -6.084) 12.192 4.983 ( 10.565 0.000 6.084) 12.192 5.107 ( 0.517 0.000 -15.697) 15.706 5.107 ( 0.517 0.000 15.697) 15.706 5.283 ( 8.772 0.000 -9.650) 13.041 5.283 ( 8.772 0.000 9.650) 13.041 5.620 ( -11.381 -0.000 -3.460) 11.895 5.620 ( -11.381 -0.000 3.460) 11.895 6.059 ( -0.639 -0.000 -5.957) 5.991 6.059 ( -0.639 -0.000 5.957) 5.991 6.263 ( -0.781 -0.000 -5.779) 5.831 6.263 ( -0.781 -0.000 5.779) 5.831 6.495 ( -1.509 -0.000 -4.685) 4.922 6.495 ( -1.509 -0.000 4.685) 4.922 7.250 ( 1.906 0.000 -9.907) 10.089 7.250 ( 1.906 0.000 9.907) 10.089 7.507 ( -5.922 -0.000 -1.653) 6.149 7.507 ( -5.922 -0.000 1.653) 6.149 7.922 ( -10.183 -0.000 -6.165) 11.904 7.922 ( -10.183 -0.000 6.165) 11.904 10.142 ( -1.493 -0.000 -4.409) 4.655 10.142 ( -1.493 -0.000 4.409) 4.655 10.650 ( -0.090 -0.000 -5.508) 5.509 10.650 ( -0.090 -0.000 5.508) 5.509 12.287 ( -0.348 -0.000 -0.765) 0.840 12.287 ( -0.348 -0.000 0.765) 0.840 12.696 ( 1.768 0.000 -5.609) 5.881 12.696 ( 1.768 0.000 5.609) 5.881 15.410 ( -0.974 -0.000 -5.903) 5.983 15.410 ( -0.974 -0.000 5.903) 5.983 15.939 ( 2.863 0.000 -4.996) 5.758 15.939 ( 2.863 0.000 4.996) 5.758 16.093 ( -0.168 -0.000 -4.994) 4.997 16.093 ( -0.168 -0.000 4.994) 4.997 16.569 ( 0.689 0.000 -4.403) 4.457 16.569 ( 0.689 0.000 4.403) 4.457 17.716 ( 0.146 0.000 -9.638) 9.639 17.716 ( 0.146 0.000 9.638) 9.639 18.344 ( 3.031 0.000 -1.975) 3.617 18.344 ( 3.031 0.000 1.975) 3.617 19.256 ( 1.835 0.000 -10.307) 10.469 19.256 ( 1.835 0.000 10.307) 10.469 26.949 ( -7.732 -0.000 -1.137) 7.815 26.949 ( -7.732 -0.000 1.137) 7.815 27.935 ( -6.456 -0.000 -1.593) 6.650 27.935 ( -6.456 -0.000 1.593) 6.650 28.629 ( 0.471 0.000 -2.146) 2.197 28.629 ( 0.471 0.000 2.146) 2.197 28.853 ( 0.520 0.000 -1.131) 1.245 28.853 ( 0.520 0.000 1.131) 1.245 30.423 ( 0.516 0.000 -3.489) 3.527 30.423 ( 0.516 0.000 3.489) 3.527 30.914 ( 0.426 0.000 -6.810) 6.824 30.914 ( 0.426 0.000 6.810) 6.824 32.252 ( -1.404 -0.000 -22.119) 22.164 32.252 ( -1.404 -0.000 22.119) 22.164 33.967 ( 8.803 0.000 -2.540) 9.162 33.967 ( 8.803 0.000 2.540) 9.162 ======================= Grid point 250 (75/75) ======================= q-point: (-0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -0.000 2.283 -13.199) 13.395 1.394 ( -0.000 2.283 13.199) 13.395 1.807 ( 0.000 -7.165 -5.097) 8.793 1.807 ( 0.000 -7.165 5.097) 8.793 2.644 ( -0.000 14.675 -20.311) 25.058 2.644 ( -0.000 14.675 20.311) 25.058 2.802 ( -0.000 0.927 -2.050) 2.250 2.802 ( -0.000 0.927 2.050) 2.250 3.124 ( 0.000 -16.540 -16.106) 23.087 3.124 ( 0.000 -16.540 16.106) 23.087 3.287 ( -0.000 3.755 -1.888) 4.203 3.287 ( -0.000 3.755 1.888) 4.203 3.812 ( -0.000 4.997 -7.978) 9.414 3.812 ( -0.000 4.997 7.978) 9.414 4.003 ( -0.000 0.018 -10.084) 10.084 4.003 ( -0.000 0.018 10.084) 10.084 4.244 ( 0.000 -7.475 -4.439) 8.693 4.244 ( 0.000 -7.475 4.439) 8.693 4.618 ( -0.000 4.769 -2.502) 5.385 4.618 ( -0.000 4.769 2.502) 5.385 5.049 ( -0.000 7.597 -17.173) 18.779 5.049 ( -0.000 7.597 17.173) 18.779 5.088 ( -0.000 0.139 -5.125) 5.127 5.088 ( -0.000 0.139 5.125) 5.127 5.404 ( -0.000 2.899 -10.573) 10.963 5.404 ( -0.000 2.899 10.573) 10.963 5.457 ( -0.000 0.134 -1.074) 1.083 5.457 ( -0.000 0.134 1.074) 1.083 5.911 ( -0.000 16.965 -4.861) 17.648 5.911 ( -0.000 16.965 4.861) 17.648 6.331 ( 0.000 -6.854 -6.405) 9.381 6.331 ( 0.000 -6.854 6.405) 9.381 6.562 ( 0.000 -11.964 -3.788) 12.549 6.562 ( 0.000 -11.964 3.788) 12.549 7.280 ( 0.000 -1.814 -10.759) 10.911 7.280 ( 0.000 -1.814 10.759) 10.911 7.464 ( 0.000 -0.894 -1.519) 1.763 7.464 ( 0.000 -0.894 1.519) 1.763 7.837 ( 0.000 -0.103 -5.204) 5.205 7.837 ( 0.000 -0.103 5.204) 5.205 10.134 ( 0.000 -0.608 -4.716) 4.755 10.134 ( 0.000 -0.608 4.716) 4.755 10.660 ( 0.000 -1.834 -5.702) 5.990 10.660 ( 0.000 -1.834 5.702) 5.990 12.287 ( 0.000 -0.336 -1.280) 1.323 12.287 ( 0.000 -0.336 1.280) 1.323 12.712 ( 0.000 -0.387 -5.348) 5.362 12.712 ( 0.000 -0.387 5.348) 5.362 15.403 ( 0.000 -0.028 -6.177) 6.177 15.403 ( 0.000 -0.028 6.177) 6.177 15.957 ( -0.000 0.926 -3.855) 3.964 15.957 ( -0.000 0.926 3.855) 3.964 16.085 ( -0.000 0.955 -6.075) 6.149 16.085 ( -0.000 0.955 6.075) 6.149 16.560 ( -0.000 2.444 -5.413) 5.939 16.560 ( -0.000 2.444 5.413) 5.939 17.693 ( -0.000 4.221 -9.618) 10.504 17.693 ( -0.000 4.221 9.618) 10.504 18.274 ( -0.000 12.308 -3.435) 12.778 18.274 ( -0.000 12.308 3.435) 12.778 19.429 ( 0.000 -22.898 -9.632) 24.841 19.429 ( 0.000 -22.898 9.632) 24.841 26.887 ( -0.000 0.128 -1.752) 1.757 26.887 ( -0.000 0.128 1.752) 1.757 27.878 ( -0.000 0.917 -2.022) 2.221 27.878 ( -0.000 0.917 2.022) 2.221 28.626 ( -0.000 0.807 -0.393) 0.898 28.626 ( -0.000 0.807 0.393) 0.898 28.864 ( 0.000 -0.880 -2.028) 2.211 28.864 ( 0.000 -0.880 2.028) 2.211 30.430 ( 0.000 -0.431 -3.957) 3.980 30.430 ( 0.000 -0.431 3.957) 3.980 30.898 ( -0.000 3.164 -7.187) 7.852 30.898 ( -0.000 3.164 7.187) 7.852 32.256 ( 0.000 -2.289 -20.356) 20.484 32.256 ( 0.000 -2.289 20.356) 20.484 34.054 ( 0.000 -2.962 -1.848) 3.491 34.054 ( 0.000 -2.962 1.848) 3.491 =================== 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 3/25272 10.0 770.392 415.304 336.175 0.000 0.000 -0.000 3/25272 20.0 242.907 106.757 113.211 0.000 0.000 -0.000 3/25272 30.0 107.982 42.458 50.936 0.000 0.000 -0.000 3/25272 40.0 60.562 22.734 29.060 0.000 0.000 -0.000 3/25272 50.0 39.744 14.698 19.391 0.000 0.000 -0.000 3/25272 60.0 28.905 10.689 14.318 0.000 0.000 -0.000 3/25272 70.0 22.515 8.381 11.300 0.000 0.000 -0.000 3/25272 80.0 18.390 6.909 9.334 0.000 0.000 -0.000 3/25272 90.0 15.538 5.897 7.961 0.000 0.000 -0.000 3/25272 100.0 13.462 5.161 6.953 0.000 0.000 -0.000 3/25272 110.0 11.887 4.603 6.183 0.000 0.000 -0.000 3/25272 120.0 10.655 4.166 5.576 0.000 0.000 -0.000 3/25272 130.0 9.665 3.814 5.086 0.000 0.000 -0.000 3/25272 140.0 8.853 3.525 4.681 0.000 0.000 -0.000 3/25272 150.0 8.174 3.283 4.342 0.000 0.000 -0.000 3/25272 160.0 7.600 3.079 4.053 0.000 0.000 -0.000 3/25272 170.0 7.107 2.903 3.804 0.000 0.000 -0.000 3/25272 180.0 6.680 2.751 3.587 0.000 0.000 -0.000 3/25272 190.0 6.306 2.617 3.396 0.000 0.000 -0.000 3/25272 200.0 5.976 2.499 3.227 0.000 0.000 -0.000 3/25272 210.0 5.683 2.394 3.076 0.000 0.000 -0.000 3/25272 220.0 5.420 2.299 2.940 0.000 0.000 -0.000 3/25272 230.0 5.184 2.214 2.818 0.000 0.000 -0.000 3/25272 240.0 4.970 2.136 2.706 0.000 0.000 -0.000 3/25272 250.0 4.775 2.065 2.604 0.000 0.000 -0.000 3/25272 260.0 4.597 1.999 2.510 0.000 0.000 -0.000 3/25272 270.0 4.433 1.939 2.424 0.000 0.000 -0.000 3/25272 280.0 4.283 1.883 2.345 0.000 0.000 -0.000 3/25272 290.0 4.143 1.831 2.271 0.000 0.000 -0.000 3/25272 300.0 4.014 1.782 2.202 0.000 0.000 -0.000 3/25272 310.0 3.893 1.736 2.137 0.000 0.000 -0.000 3/25272 320.0 3.781 1.693 2.077 0.000 0.000 -0.000 3/25272 330.0 3.675 1.653 2.021 0.000 0.000 -0.000 3/25272 340.0 3.576 1.614 1.967 0.000 0.000 -0.000 3/25272 350.0 3.483 1.578 1.917 0.000 0.000 -0.000 3/25272 360.0 3.395 1.543 1.870 0.000 0.000 -0.000 3/25272 370.0 3.312 1.510 1.825 0.000 0.000 -0.000 3/25272 380.0 3.233 1.479 1.782 0.000 0.000 -0.000 3/25272 390.0 3.158 1.449 1.741 0.000 0.000 -0.000 3/25272 400.0 3.087 1.420 1.703 0.000 0.000 -0.000 3/25272 410.0 3.019 1.393 1.666 0.000 0.000 -0.000 3/25272 420.0 2.954 1.367 1.631 0.000 0.000 -0.000 3/25272 430.0 2.893 1.341 1.597 0.000 0.000 -0.000 3/25272 440.0 2.833 1.317 1.565 0.000 0.000 -0.000 3/25272 450.0 2.777 1.293 1.534 0.000 0.000 -0.000 3/25272 460.0 2.723 1.271 1.504 0.000 0.000 -0.000 3/25272 470.0 2.671 1.249 1.476 0.000 0.000 -0.000 3/25272 480.0 2.621 1.228 1.449 0.000 0.000 -0.000 3/25272 490.0 2.572 1.207 1.422 0.000 0.000 -0.000 3/25272 500.0 2.526 1.188 1.397 0.000 0.000 -0.000 3/25272 510.0 2.482 1.169 1.372 0.000 0.000 -0.000 3/25272 520.0 2.438 1.150 1.349 0.000 0.000 -0.000 3/25272 530.0 2.397 1.132 1.326 0.000 0.000 -0.000 3/25272 540.0 2.357 1.115 1.304 0.000 0.000 -0.000 3/25272 550.0 2.318 1.098 1.283 0.000 0.000 -0.000 3/25272 560.0 2.281 1.082 1.262 0.000 0.000 -0.000 3/25272 570.0 2.244 1.066 1.242 0.000 0.000 -0.000 3/25272 580.0 2.209 1.050 1.223 0.000 0.000 -0.000 3/25272 590.0 2.175 1.035 1.204 0.000 0.000 -0.000 3/25272 600.0 2.142 1.021 1.186 0.000 0.000 -0.000 3/25272 610.0 2.110 1.007 1.168 0.000 0.000 -0.000 3/25272 620.0 2.079 0.993 1.151 0.000 0.000 -0.000 3/25272 630.0 2.049 0.979 1.134 0.000 0.000 -0.000 3/25272 640.0 2.019 0.966 1.118 0.000 0.000 -0.000 3/25272 650.0 1.991 0.953 1.103 0.000 0.000 -0.000 3/25272 660.0 1.963 0.941 1.087 0.000 0.000 -0.000 3/25272 670.0 1.936 0.929 1.072 0.000 0.000 -0.000 3/25272 680.0 1.910 0.917 1.058 0.000 0.000 -0.000 3/25272 690.0 1.885 0.905 1.044 0.000 0.000 -0.000 3/25272 700.0 1.860 0.894 1.030 0.000 0.000 -0.000 3/25272 710.0 1.836 0.883 1.017 0.000 0.000 -0.000 3/25272 720.0 1.812 0.872 1.004 0.000 0.000 -0.000 3/25272 730.0 1.789 0.862 0.991 0.000 0.000 -0.000 3/25272 740.0 1.767 0.851 0.979 0.000 0.000 -0.000 3/25272 750.0 1.745 0.841 0.967 0.000 0.000 -0.000 3/25272 760.0 1.723 0.832 0.955 0.000 0.000 -0.000 3/25272 770.0 1.702 0.822 0.943 0.000 0.000 -0.000 3/25272 780.0 1.682 0.813 0.932 0.000 0.000 -0.000 3/25272 790.0 1.662 0.803 0.921 0.000 0.000 -0.000 3/25272 800.0 1.643 0.794 0.910 0.000 0.000 -0.000 3/25272 810.0 1.624 0.786 0.900 0.000 0.000 -0.000 3/25272 820.0 1.605 0.777 0.890 0.000 0.000 -0.000 3/25272 830.0 1.587 0.769 0.880 0.000 0.000 -0.000 3/25272 840.0 1.569 0.760 0.870 0.000 0.000 -0.000 3/25272 850.0 1.552 0.752 0.860 0.000 0.000 -0.000 3/25272 860.0 1.535 0.744 0.851 0.000 0.000 -0.000 3/25272 870.0 1.518 0.737 0.842 0.000 0.000 -0.000 3/25272 880.0 1.502 0.729 0.833 0.000 0.000 -0.000 3/25272 890.0 1.486 0.722 0.824 0.000 0.000 -0.000 3/25272 900.0 1.471 0.714 0.815 0.000 0.000 -0.000 3/25272 910.0 1.455 0.707 0.807 0.000 0.000 -0.000 3/25272 920.0 1.440 0.700 0.798 0.000 0.000 -0.000 3/25272 930.0 1.426 0.693 0.790 0.000 0.000 -0.000 3/25272 940.0 1.411 0.686 0.782 0.000 0.000 -0.000 3/25272 950.0 1.397 0.680 0.775 0.000 0.000 -0.000 3/25272 960.0 1.383 0.673 0.767 0.000 0.000 -0.000 3/25272 970.0 1.370 0.667 0.759 0.000 0.000 -0.000 3/25272 980.0 1.357 0.661 0.752 0.000 0.000 -0.000 3/25272 990.0 1.344 0.654 0.745 0.000 0.000 -0.000 3/25272 1000.0 1.331 0.648 0.738 0.000 0.000 -0.000 3/25272 Thermal conductivity related properties were written into "kappa-m994.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:26:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|