----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:35:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmmm (65) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.335421940000000 -3.337310425000000 0.000000000000000 b 3.335421940000000 3.337310425000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.726455100000001 Atomic positions (fractional): *1 Ti 0.00000000000000 0.00000000000000 0.20052632001045 47.867 2 Ti 0.00000000000000 0.00000000000000 0.79947367998955 47.867 *3 Ti 0.50000000000000 0.50000000000000 0.50000000000000 47.867 *4 Sn 0.00000000000000 0.00000000000000 0.59941359132362 118.710 5 Sn 0.00000000000000 0.00000000000000 0.40058640867638 118.710 *6 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 *7 Sn 0.50000000000000 0.50000000000000 0.10269725159977 118.710 *8 Sn 0.50000000000000 0.50000000000000 0.30067684918008 118.710 9 Sn 0.50000000000000 0.50000000000000 0.69932315081992 118.710 10 Sn 0.50000000000000 0.50000000000000 0.89730274840023 118.710 *11 O 0.80988742043247 0.19011257956753 0.10494425601699 15.999 *12 O 0.79661271064195 0.20338728935805 0.50000000000000 15.999 *13 O 0.80941919228373 0.19058080771627 0.29644606359124 15.999 14 O 0.80988742043247 0.19011257956753 0.89505574398301 15.999 15 O 0.80941919228373 0.19058080771627 0.70355393640876 15.999 *16 O 0.30936151044033 0.30936151044033 0.59544585024526 15.999 17 O 0.30936151044033 0.30936151044033 0.40455414975474 15.999 *18 O 0.29652966051489 0.29652966051489 0.79862102318986 15.999 19 O 0.29652966051489 0.29652966051489 0.20137897681014 15.999 *20 O 0.30614025141580 0.30614025141580 0.00000000000000 15.999 21 O 0.69063848955967 0.69063848955967 0.59544585024526 15.999 22 O 0.69063848955967 0.69063848955967 0.40455414975474 15.999 23 O 0.70347033948511 0.70347033948511 0.20137897681014 15.999 24 O 0.69385974858420 0.69385974858420 0.00000000000000 15.999 25 O 0.70347033948511 0.70347033948511 0.79862102318986 15.999 26 O 0.20338728935805 0.79661271064195 0.50000000000000 15.999 27 O 0.19011257956753 0.80988742043247 0.10494425601699 15.999 28 O 0.19058080771627 0.80941919228373 0.29644606359124 15.999 29 O 0.19058080771627 0.80941919228373 0.70355393640876 15.999 30 O 0.19011257956753 0.80988742043247 0.89505574398301 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.670843880000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.674620850000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.726455100000001 Atomic positions (fractional): *1 Ti 0.00000000000000 0.00000000000000 0.20052632001045 47.867 > 1 2 Ti 0.00000000000000 0.00000000000000 0.79947367998955 47.867 > 2 *3 Ti 0.50000000000000 0.00000000000000 0.50000000000000 47.867 > 3 4 Ti 0.50000000000000 0.50000000000000 0.20052632001045 47.867 > 1 5 Ti 0.50000000000000 0.50000000000000 0.79947367998955 47.867 > 2 6 Ti 0.00000000000000 0.50000000000000 0.50000000000000 47.867 > 3 *7 Sn 0.00000000000000 0.00000000000000 0.59941359132362 118.710 > 4 8 Sn 0.00000000000000 0.00000000000000 0.40058640867638 118.710 > 5 *9 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 6 *10 Sn 0.50000000000000 0.00000000000000 0.10269725159977 118.710 > 7 *11 Sn 0.50000000000000 0.00000000000000 0.30067684918008 118.710 > 8 12 Sn 0.50000000000000 0.00000000000000 0.69932315081992 118.710 > 9 13 Sn 0.50000000000000 0.00000000000000 0.89730274840023 118.710 > 10 14 Sn 0.50000000000000 0.50000000000000 0.59941359132362 118.710 > 4 15 Sn 0.50000000000000 0.50000000000000 0.40058640867638 118.710 > 5 16 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 6 17 Sn 0.00000000000000 0.50000000000000 0.10269725159977 118.710 > 7 18 Sn 0.00000000000000 0.50000000000000 0.30067684918008 118.710 > 8 19 Sn 0.00000000000000 0.50000000000000 0.69932315081992 118.710 > 9 20 Sn 0.00000000000000 0.50000000000000 0.89730274840023 118.710 > 10 *21 O 0.50000000000000 0.69011257956753 0.10494425601699 15.999 > 11 *22 O 0.50000000000000 0.70338728935805 0.50000000000000 15.999 > 12 *23 O 0.50000000000000 0.69058080771627 0.29644606359124 15.999 > 13 24 O 0.50000000000000 0.69011257956753 0.89505574398301 15.999 > 14 25 O 0.50000000000000 0.69058080771627 0.70355393640876 15.999 > 15 *26 O 0.30936151044033 0.00000000000000 0.59544585024526 15.999 > 16 27 O 0.30936151044033 0.00000000000000 0.40455414975474 15.999 > 17 *28 O 0.29652966051489 0.00000000000000 0.79862102318986 15.999 > 18 29 O 0.29652966051489 0.00000000000000 0.20137897681014 15.999 > 19 *30 O 0.30614025141580 0.00000000000000 0.00000000000000 15.999 > 20 31 O 0.69063848955967 0.00000000000000 0.59544585024526 15.999 > 21 32 O 0.69063848955967 0.00000000000000 0.40455414975474 15.999 > 22 33 O 0.70347033948511 0.00000000000000 0.20137897681014 15.999 > 23 34 O 0.69385974858420 0.00000000000000 0.00000000000000 15.999 > 24 35 O 0.70347033948511 0.00000000000000 0.79862102318986 15.999 > 25 36 O 0.50000000000000 0.29661271064195 0.50000000000000 15.999 > 26 37 O 0.50000000000000 0.30988742043247 0.10494425601699 15.999 > 27 38 O 0.50000000000000 0.30941919228373 0.29644606359124 15.999 > 28 39 O 0.50000000000000 0.30941919228373 0.70355393640876 15.999 > 29 40 O 0.50000000000000 0.30988742043247 0.89505574398301 15.999 > 30 41 O 0.00000000000000 0.19011257956753 0.10494425601699 15.999 > 11 42 O 0.00000000000000 0.20338728935805 0.50000000000000 15.999 > 12 43 O 0.00000000000000 0.19058080771627 0.29644606359124 15.999 > 13 44 O 0.00000000000000 0.19011257956753 0.89505574398301 15.999 > 14 45 O 0.00000000000000 0.19058080771627 0.70355393640876 15.999 > 15 46 O 0.80936151044033 0.50000000000000 0.59544585024526 15.999 > 16 47 O 0.80936151044033 0.50000000000000 0.40455414975474 15.999 > 17 48 O 0.79652966051489 0.50000000000000 0.79862102318986 15.999 > 18 49 O 0.79652966051489 0.50000000000000 0.20137897681014 15.999 > 19 50 O 0.80614025141580 0.50000000000000 0.00000000000000 15.999 > 20 51 O 0.19063848955967 0.50000000000000 0.59544585024526 15.999 > 21 52 O 0.19063848955967 0.50000000000000 0.40455414975474 15.999 > 22 53 O 0.20347033948511 0.50000000000000 0.20137897681014 15.999 > 23 54 O 0.19385974858420 0.50000000000000 0.00000000000000 15.999 > 24 55 O 0.20347033948511 0.50000000000000 0.79862102318986 15.999 > 25 56 O 0.00000000000000 0.79661271064195 0.50000000000000 15.999 > 26 57 O 0.00000000000000 0.80988742043247 0.10494425601699 15.999 > 27 58 O 0.00000000000000 0.80941919228373 0.29644606359124 15.999 > 28 59 O 0.00000000000000 0.80941919228373 0.70355393640876 15.999 > 29 60 O 0.00000000000000 0.80988742043247 0.89505574398301 15.999 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.341687759999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.674620850000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.726455100000001 Atomic positions (fractional): *1 Ti 0.00000000000000 0.00000000000000 0.20052632001045 47.867 > 1 2 Ti 0.50000000000000 0.00000000000000 0.20052632001045 47.867 > 1 3 Ti 0.00000000000000 0.00000000000000 0.79947367998955 47.867 > 2 4 Ti 0.50000000000000 0.00000000000000 0.79947367998955 47.867 > 2 *5 Ti 0.25000000000000 0.00000000000000 0.50000000000000 47.867 > 3 6 Ti 0.75000000000000 0.00000000000000 0.50000000000000 47.867 > 3 7 Ti 0.25000000000000 0.50000000000000 0.20052632001045 47.867 > 1 8 Ti 0.75000000000000 0.50000000000000 0.20052632001045 47.867 > 1 9 Ti 0.25000000000000 0.50000000000000 0.79947367998955 47.867 > 2 10 Ti 0.75000000000000 0.50000000000000 0.79947367998955 47.867 > 2 11 Ti 0.00000000000000 0.50000000000000 0.50000000000000 47.867 > 3 12 Ti 0.50000000000000 0.50000000000000 0.50000000000000 47.867 > 3 *13 Sn 0.00000000000000 0.00000000000000 0.59941359132362 118.710 > 4 14 Sn 0.50000000000000 0.00000000000000 0.59941359132362 118.710 > 4 15 Sn 0.00000000000000 0.00000000000000 0.40058640867638 118.710 > 5 16 Sn 0.50000000000000 0.00000000000000 0.40058640867638 118.710 > 5 *17 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 6 18 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 6 *19 Sn 0.25000000000000 0.00000000000000 0.10269725159977 118.710 > 7 20 Sn 0.75000000000000 0.00000000000000 0.10269725159977 118.710 > 7 *21 Sn 0.25000000000000 0.00000000000000 0.30067684918008 118.710 > 8 22 Sn 0.75000000000000 0.00000000000000 0.30067684918008 118.710 > 8 23 Sn 0.25000000000000 0.00000000000000 0.69932315081992 118.710 > 9 24 Sn 0.75000000000000 0.00000000000000 0.69932315081992 118.710 > 9 25 Sn 0.25000000000000 0.00000000000000 0.89730274840023 118.710 > 10 26 Sn 0.75000000000000 0.00000000000000 0.89730274840023 118.710 > 10 27 Sn 0.25000000000000 0.50000000000000 0.59941359132362 118.710 > 4 28 Sn 0.75000000000000 0.50000000000000 0.59941359132362 118.710 > 4 29 Sn 0.25000000000000 0.50000000000000 0.40058640867638 118.710 > 5 30 Sn 0.75000000000000 0.50000000000000 0.40058640867638 118.710 > 5 31 Sn 0.25000000000000 0.50000000000000 0.00000000000000 118.710 > 6 32 Sn 0.75000000000000 0.50000000000000 0.00000000000000 118.710 > 6 33 Sn 0.00000000000000 0.50000000000000 0.10269725159977 118.710 > 7 34 Sn 0.50000000000000 0.50000000000000 0.10269725159977 118.710 > 7 35 Sn 0.00000000000000 0.50000000000000 0.30067684918008 118.710 > 8 36 Sn 0.50000000000000 0.50000000000000 0.30067684918008 118.710 > 8 37 Sn 0.00000000000000 0.50000000000000 0.69932315081992 118.710 > 9 38 Sn 0.50000000000000 0.50000000000000 0.69932315081992 118.710 > 9 39 Sn 0.00000000000000 0.50000000000000 0.89730274840023 118.710 > 10 40 Sn 0.50000000000000 0.50000000000000 0.89730274840023 118.710 > 10 *41 O 0.25000000000000 0.69011257956753 0.10494425601699 15.999 > 11 42 O 0.75000000000000 0.69011257956753 0.10494425601699 15.999 > 11 *43 O 0.25000000000000 0.70338728935805 0.50000000000000 15.999 > 12 44 O 0.75000000000000 0.70338728935805 0.50000000000000 15.999 > 12 *45 O 0.25000000000000 0.69058080771627 0.29644606359124 15.999 > 13 46 O 0.75000000000000 0.69058080771627 0.29644606359124 15.999 > 13 47 O 0.25000000000000 0.69011257956753 0.89505574398301 15.999 > 14 48 O 0.75000000000000 0.69011257956753 0.89505574398301 15.999 > 14 49 O 0.25000000000000 0.69058080771627 0.70355393640876 15.999 > 15 50 O 0.75000000000000 0.69058080771627 0.70355393640876 15.999 > 15 *51 O 0.15468075522017 0.00000000000000 0.59544585024526 15.999 > 16 52 O 0.65468075522017 0.00000000000000 0.59544585024526 15.999 > 16 53 O 0.15468075522017 0.00000000000000 0.40455414975474 15.999 > 17 54 O 0.65468075522017 0.00000000000000 0.40455414975474 15.999 > 17 *55 O 0.14826483025744 0.00000000000000 0.79862102318986 15.999 > 18 56 O 0.64826483025744 0.00000000000000 0.79862102318986 15.999 > 18 57 O 0.14826483025744 0.00000000000000 0.20137897681014 15.999 > 19 58 O 0.64826483025744 0.00000000000000 0.20137897681014 15.999 > 19 *59 O 0.15307012570790 0.00000000000000 0.00000000000000 15.999 > 20 60 O 0.65307012570790 0.00000000000000 0.00000000000000 15.999 > 20 61 O 0.34531924477983 0.00000000000000 0.59544585024526 15.999 > 21 62 O 0.84531924477983 0.00000000000000 0.59544585024526 15.999 > 21 63 O 0.34531924477983 0.00000000000000 0.40455414975474 15.999 > 22 64 O 0.84531924477983 0.00000000000000 0.40455414975474 15.999 > 22 65 O 0.35173516974255 0.00000000000000 0.20137897681014 15.999 > 23 66 O 0.85173516974256 0.00000000000000 0.20137897681014 15.999 > 23 67 O 0.34692987429210 0.00000000000000 0.00000000000000 15.999 > 24 68 O 0.84692987429210 0.00000000000000 0.00000000000000 15.999 > 24 69 O 0.35173516974255 0.00000000000000 0.79862102318986 15.999 > 25 70 O 0.85173516974256 0.00000000000000 0.79862102318986 15.999 > 25 71 O 0.25000000000000 0.29661271064195 0.50000000000000 15.999 > 26 72 O 0.75000000000000 0.29661271064195 0.50000000000000 15.999 > 26 73 O 0.25000000000000 0.30988742043247 0.10494425601699 15.999 > 27 74 O 0.75000000000000 0.30988742043247 0.10494425601699 15.999 > 27 75 O 0.25000000000000 0.30941919228373 0.29644606359124 15.999 > 28 76 O 0.75000000000000 0.30941919228373 0.29644606359124 15.999 > 28 77 O 0.25000000000000 0.30941919228373 0.70355393640876 15.999 > 29 78 O 0.75000000000000 0.30941919228373 0.70355393640876 15.999 > 29 79 O 0.25000000000000 0.30988742043247 0.89505574398301 15.999 > 30 80 O 0.75000000000000 0.30988742043247 0.89505574398301 15.999 > 30 81 O 0.00000000000000 0.19011257956753 0.10494425601699 15.999 > 11 82 O 0.50000000000000 0.19011257956753 0.10494425601699 15.999 > 11 83 O 0.00000000000000 0.20338728935805 0.50000000000000 15.999 > 12 84 O 0.50000000000000 0.20338728935805 0.50000000000000 15.999 > 12 85 O 0.00000000000000 0.19058080771627 0.29644606359124 15.999 > 13 86 O 0.50000000000000 0.19058080771627 0.29644606359124 15.999 > 13 87 O 0.00000000000000 0.19011257956753 0.89505574398301 15.999 > 14 88 O 0.50000000000000 0.19011257956753 0.89505574398301 15.999 > 14 89 O 0.00000000000000 0.19058080771627 0.70355393640876 15.999 > 15 90 O 0.50000000000000 0.19058080771627 0.70355393640876 15.999 > 15 91 O 0.40468075522017 0.50000000000000 0.59544585024526 15.999 > 16 92 O 0.90468075522017 0.50000000000000 0.59544585024526 15.999 > 16 93 O 0.40468075522017 0.50000000000000 0.40455414975474 15.999 > 17 94 O 0.90468075522017 0.50000000000000 0.40455414975474 15.999 > 17 95 O 0.39826483025745 0.50000000000000 0.79862102318986 15.999 > 18 96 O 0.89826483025744 0.50000000000000 0.79862102318986 15.999 > 18 97 O 0.39826483025745 0.50000000000000 0.20137897681014 15.999 > 19 98 O 0.89826483025744 0.50000000000000 0.20137897681014 15.999 > 19 99 O 0.40307012570790 0.50000000000000 0.00000000000000 15.999 > 20 100 O 0.90307012570790 0.50000000000000 0.00000000000000 15.999 > 20 101 O 0.09531924477983 0.50000000000000 0.59544585024526 15.999 > 21 102 O 0.59531924477983 0.50000000000000 0.59544585024526 15.999 > 21 103 O 0.09531924477983 0.50000000000000 0.40455414975474 15.999 > 22 104 O 0.59531924477983 0.50000000000000 0.40455414975474 15.999 > 22 105 O 0.10173516974256 0.50000000000000 0.20137897681014 15.999 > 23 106 O 0.60173516974256 0.50000000000000 0.20137897681014 15.999 > 23 107 O 0.09692987429210 0.50000000000000 0.00000000000000 15.999 > 24 108 O 0.59692987429210 0.50000000000000 0.00000000000000 15.999 > 24 109 O 0.10173516974256 0.50000000000000 0.79862102318986 15.999 > 25 110 O 0.60173516974256 0.50000000000000 0.79862102318986 15.999 > 25 111 O 0.00000000000000 0.79661271064195 0.50000000000000 15.999 > 26 112 O 0.50000000000000 0.79661271064195 0.50000000000000 15.999 > 26 113 O 0.00000000000000 0.80988742043247 0.10494425601699 15.999 > 27 114 O 0.50000000000000 0.80988742043247 0.10494425601699 15.999 > 27 115 O 0.00000000000000 0.80941919228373 0.29644606359124 15.999 > 28 116 O 0.50000000000000 0.80941919228373 0.29644606359124 15.999 > 28 117 O 0.00000000000000 0.80941919228373 0.70355393640876 15.999 > 29 118 O 0.50000000000000 0.80941919228373 0.70355393640876 15.999 > 29 119 O 0.00000000000000 0.80988742043247 0.89505574398301 15.999 > 30 120 O 0.50000000000000 0.80988742043247 0.89505574398301 15.999 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2124730 0.0000000 0.0000000 0.0000000 5.0543358 0.0000000 0.0000000 0.0000000 5.7999248 -------------------------- Born effective charges -------------------------- 1 Ti 6.4539701 0.0000000 0.0000000 0.0000000 4.9637608 0.0000000 0.0000000 0.0000000 6.7656457 2 Ti 6.4539701 0.0000000 0.0000000 0.0000000 4.9637608 0.0000000 0.0000000 0.0000000 6.7656457 3 Ti 5.0864699 0.0000000 0.0000000 0.0000000 6.5173017 0.0000000 0.0000000 0.0000000 6.7325951 4 Sn 4.8646203 0.0000000 0.0000000 0.0000000 3.8743305 0.0000000 0.0000000 0.0000000 4.6621103 5 Sn 4.8646203 0.0000000 0.0000000 0.0000000 3.8743305 0.0000000 0.0000000 0.0000000 4.6621103 6 Sn 4.3510675 0.0000000 0.0000000 0.0000000 2.9895167 0.0000000 0.0000000 0.0000000 5.6491514 7 Sn 4.2663293 0.0000000 0.0000000 0.0000000 4.9768233 0.0000000 0.0000000 0.0000000 4.5937742 8 Sn 3.8857943 0.0000000 0.0000000 0.0000000 4.8659575 0.0000000 0.0000000 0.0000000 4.6633654 9 Sn 3.8857943 0.0000000 0.0000000 0.0000000 4.8659575 0.0000000 0.0000000 0.0000000 4.6633654 10 Sn 4.2663293 0.0000000 0.0000000 0.0000000 4.9768233 0.0000000 0.0000000 0.0000000 4.5937742 11 O -1.3580758 0.0000000 0.0000000 0.0000000 -3.1070960 0.6155534 0.0000000 0.7240975 -3.0914063 12 O -1.3215326 0.0000000 0.0000000 0.0000000 -4.2301862 0.0000000 0.0000000 0.0000000 -1.9563630 13 O -1.3594428 0.0000000 0.0000000 0.0000000 -3.1142429 -0.7542192 0.0000000 -0.7385289 -3.0489248 14 O -1.3580758 0.0000000 0.0000000 0.0000000 -3.1070960 -0.6155534 0.0000000 -0.7240975 -3.0914063 15 O -1.3594428 0.0000000 0.0000000 0.0000000 -3.1142429 0.7542192 0.0000000 0.7385289 -3.0489248 16 O -3.1325547 0.0000000 0.7668759 0.0000000 -1.3629314 0.0000000 0.7415149 0.0000000 -3.0363507 17 O -3.1325547 0.0000000 -0.7668759 0.0000000 -1.3629314 0.0000000 -0.7415149 0.0000000 -3.0363507 18 O -4.2130816 0.0000000 0.0554386 0.0000000 -1.3335993 0.0000000 0.0009324 0.0000000 -1.9453912 19 O -4.2130816 0.0000000 -0.0554386 0.0000000 -1.3335993 0.0000000 -0.0009324 0.0000000 -1.9453912 20 O -2.7416403 0.0000000 0.0000000 0.0000000 -1.3683561 0.0000000 0.0000000 0.0000000 -2.6752596 21 O -3.1325547 0.0000000 -0.7668759 0.0000000 -1.3629314 0.0000000 -0.7415149 0.0000000 -3.0363507 22 O -3.1325547 0.0000000 0.7668759 0.0000000 -1.3629314 0.0000000 0.7415149 0.0000000 -3.0363507 23 O -4.2130816 0.0000000 0.0554386 0.0000000 -1.3335993 0.0000000 0.0009324 0.0000000 -1.9453912 24 O -2.7416403 0.0000000 0.0000000 0.0000000 -1.3683561 0.0000000 0.0000000 0.0000000 -2.6752596 25 O -4.2130816 0.0000000 -0.0554386 0.0000000 -1.3335993 0.0000000 -0.0009324 0.0000000 -1.9453912 26 O -1.3215326 0.0000000 0.0000000 0.0000000 -4.2301862 0.0000000 0.0000000 0.0000000 -1.9563630 27 O -1.3580758 0.0000000 0.0000000 0.0000000 -3.1070960 -0.6155534 0.0000000 -0.7240975 -3.0914063 28 O -1.3594428 0.0000000 0.0000000 0.0000000 -3.1142429 0.7542192 0.0000000 0.7385289 -3.0489248 29 O -1.3594428 0.0000000 0.0000000 0.0000000 -3.1142429 -0.7542192 0.0000000 -0.7385289 -3.0489248 30 O -1.3580758 0.0000000 0.0000000 0.0000000 -3.1070960 0.6155534 0.0000000 0.7240975 -3.0914063 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 20412/20412 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2342 Number of blocks in projector: 2350 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: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 246 eigenvectors found. (2) Block: 504 / 504 (2) 250 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 500 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 182 Use standard eigh solver. Tree of FC basis block matrices: - (2342, 2298), data: False |-- (182, 182), data: True |-- (312, 308), data: True |-- (448, 436), data: True |-- (448, 436), data: True |-- (448, 436), data: True |-- (504, 500), data: False |-- (504, 500), data: False |-- (504, 4), data: (504, 8) @ (8, 4) |-- (254, 250), data: True |-- (250, 246), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 0.752 Solver_block: 200 / 480 - Time: 0.611 Solver_block: 300 / 480 - Time: 0.608 Solver_block: 400 / 480 - Time: 0.611 Solver_block: 480 / 480 - Time: 0.517 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.185 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 20412/20412 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2342 Number of blocks in projector: 2350 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: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 246 eigenvectors found. (2) Block: 504 / 504 (2) 250 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 500 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 182 Use standard eigh solver. Tree of FC basis block matrices: - (2342, 2298), data: False |-- (182, 182), data: True |-- (312, 308), data: True |-- (448, 436), data: True |-- (448, 436), data: True |-- (448, 436), data: True |-- (504, 500), data: False |-- (504, 500), data: False |-- (504, 4), data: (504, 8) @ (8, 4) |-- (254, 250), data: True |-- (250, 246), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 00:35:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:35:44]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmmm (65) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.335421940000000 -3.337310425000000 0.000000000000000 b 3.335421940000000 3.337310425000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.726455100000001 Atomic positions (fractional): 1 Ti 0.00000000000000 0.00000000000000 0.20052632001045 47.867 2 Ti 0.00000000000000 0.00000000000000 0.79947367998955 47.867 3 Ti 0.50000000000000 0.50000000000000 0.50000000000000 47.867 4 Sn 0.00000000000000 0.00000000000000 0.59941359132362 118.710 5 Sn 0.00000000000000 0.00000000000000 0.40058640867638 118.710 6 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 7 Sn 0.50000000000000 0.50000000000000 0.10269725159977 118.710 8 Sn 0.50000000000000 0.50000000000000 0.30067684918008 118.710 9 Sn 0.50000000000000 0.50000000000000 0.69932315081992 118.710 10 Sn 0.50000000000000 0.50000000000000 0.89730274840023 118.710 11 O 0.80988742043247 0.19011257956753 0.10494425601699 15.999 12 O 0.79661271064195 0.20338728935805 0.50000000000000 15.999 13 O 0.80941919228373 0.19058080771627 0.29644606359124 15.999 14 O 0.80988742043247 0.19011257956753 0.89505574398301 15.999 15 O 0.80941919228373 0.19058080771627 0.70355393640876 15.999 16 O 0.30936151044033 0.30936151044033 0.59544585024526 15.999 17 O 0.30936151044033 0.30936151044033 0.40455414975474 15.999 18 O 0.29652966051489 0.29652966051489 0.79862102318986 15.999 19 O 0.29652966051489 0.29652966051489 0.20137897681014 15.999 20 O 0.30614025141580 0.30614025141580 0.00000000000000 15.999 21 O 0.69063848955967 0.69063848955967 0.59544585024526 15.999 22 O 0.69063848955967 0.69063848955967 0.40455414975474 15.999 23 O 0.70347033948511 0.70347033948511 0.20137897681014 15.999 24 O 0.69385974858420 0.69385974858420 0.00000000000000 15.999 25 O 0.70347033948511 0.70347033948511 0.79862102318986 15.999 26 O 0.20338728935805 0.79661271064195 0.50000000000000 15.999 27 O 0.19011257956753 0.80988742043247 0.10494425601699 15.999 28 O 0.19058080771627 0.80941919228373 0.29644606359124 15.999 29 O 0.19058080771627 0.80941919228373 0.70355393640876 15.999 30 O 0.19011257956753 0.80988742043247 0.89505574398301 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.341687759999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.674620850000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.726455100000001 Atomic positions (fractional): 1 Ti 0.00000000000000 0.00000000000000 0.20052632001045 47.867 > 1 2 Ti 0.50000000000000 0.00000000000000 0.20052632001045 47.867 > 1 3 Ti 0.00000000000000 0.00000000000000 0.79947367998955 47.867 > 3 4 Ti 0.50000000000000 0.00000000000000 0.79947367998955 47.867 > 3 5 Ti 0.25000000000000 0.00000000000000 0.50000000000000 47.867 > 5 6 Ti 0.75000000000000 0.00000000000000 0.50000000000000 47.867 > 5 7 Ti 0.25000000000000 0.50000000000000 0.20052632001045 47.867 > 1 8 Ti 0.75000000000000 0.50000000000000 0.20052632001045 47.867 > 1 9 Ti 0.25000000000000 0.50000000000000 0.79947367998955 47.867 > 3 10 Ti 0.75000000000000 0.50000000000000 0.79947367998955 47.867 > 3 11 Ti 0.00000000000000 0.50000000000000 0.50000000000000 47.867 > 5 12 Ti 0.50000000000000 0.50000000000000 0.50000000000000 47.867 > 5 13 Sn 0.00000000000000 0.00000000000000 0.59941359132362 118.710 > 13 14 Sn 0.50000000000000 0.00000000000000 0.59941359132362 118.710 > 13 15 Sn 0.00000000000000 0.00000000000000 0.40058640867638 118.710 > 15 16 Sn 0.50000000000000 0.00000000000000 0.40058640867638 118.710 > 15 17 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 17 18 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 17 19 Sn 0.25000000000000 0.00000000000000 0.10269725159977 118.710 > 19 20 Sn 0.75000000000000 0.00000000000000 0.10269725159977 118.710 > 19 21 Sn 0.25000000000000 0.00000000000000 0.30067684918008 118.710 > 21 22 Sn 0.75000000000000 0.00000000000000 0.30067684918008 118.710 > 21 23 Sn 0.25000000000000 0.00000000000000 0.69932315081992 118.710 > 23 24 Sn 0.75000000000000 0.00000000000000 0.69932315081992 118.710 > 23 25 Sn 0.25000000000000 0.00000000000000 0.89730274840023 118.710 > 25 26 Sn 0.75000000000000 0.00000000000000 0.89730274840023 118.710 > 25 27 Sn 0.25000000000000 0.50000000000000 0.59941359132362 118.710 > 13 28 Sn 0.75000000000000 0.50000000000000 0.59941359132362 118.710 > 13 29 Sn 0.25000000000000 0.50000000000000 0.40058640867638 118.710 > 15 30 Sn 0.75000000000000 0.50000000000000 0.40058640867638 118.710 > 15 31 Sn 0.25000000000000 0.50000000000000 0.00000000000000 118.710 > 17 32 Sn 0.75000000000000 0.50000000000000 0.00000000000000 118.710 > 17 33 Sn 0.00000000000000 0.50000000000000 0.10269725159977 118.710 > 19 34 Sn 0.50000000000000 0.50000000000000 0.10269725159977 118.710 > 19 35 Sn 0.00000000000000 0.50000000000000 0.30067684918008 118.710 > 21 36 Sn 0.50000000000000 0.50000000000000 0.30067684918008 118.710 > 21 37 Sn 0.00000000000000 0.50000000000000 0.69932315081992 118.710 > 23 38 Sn 0.50000000000000 0.50000000000000 0.69932315081992 118.710 > 23 39 Sn 0.00000000000000 0.50000000000000 0.89730274840023 118.710 > 25 40 Sn 0.50000000000000 0.50000000000000 0.89730274840023 118.710 > 25 41 O 0.25000000000000 0.69011257956753 0.10494425601699 15.999 > 41 42 O 0.75000000000000 0.69011257956753 0.10494425601699 15.999 > 41 43 O 0.25000000000000 0.70338728935805 0.50000000000000 15.999 > 43 44 O 0.75000000000000 0.70338728935805 0.50000000000000 15.999 > 43 45 O 0.25000000000000 0.69058080771627 0.29644606359124 15.999 > 45 46 O 0.75000000000000 0.69058080771627 0.29644606359124 15.999 > 45 47 O 0.25000000000000 0.69011257956753 0.89505574398301 15.999 > 47 48 O 0.75000000000000 0.69011257956753 0.89505574398301 15.999 > 47 49 O 0.25000000000000 0.69058080771627 0.70355393640876 15.999 > 49 50 O 0.75000000000000 0.69058080771627 0.70355393640876 15.999 > 49 51 O 0.15468075522017 0.00000000000000 0.59544585024526 15.999 > 51 52 O 0.65468075522017 0.00000000000000 0.59544585024526 15.999 > 51 53 O 0.15468075522017 0.00000000000000 0.40455414975474 15.999 > 53 54 O 0.65468075522017 0.00000000000000 0.40455414975474 15.999 > 53 55 O 0.14826483025744 0.00000000000000 0.79862102318986 15.999 > 55 56 O 0.64826483025744 0.00000000000000 0.79862102318986 15.999 > 55 57 O 0.14826483025744 0.00000000000000 0.20137897681014 15.999 > 57 58 O 0.64826483025744 0.00000000000000 0.20137897681014 15.999 > 57 59 O 0.15307012570790 0.00000000000000 0.00000000000000 15.999 > 59 60 O 0.65307012570790 0.00000000000000 0.00000000000000 15.999 > 59 61 O 0.34531924477983 0.00000000000000 0.59544585024526 15.999 > 61 62 O 0.84531924477983 0.00000000000000 0.59544585024526 15.999 > 61 63 O 0.34531924477983 0.00000000000000 0.40455414975474 15.999 > 63 64 O 0.84531924477983 0.00000000000000 0.40455414975474 15.999 > 63 65 O 0.35173516974255 0.00000000000000 0.20137897681014 15.999 > 65 66 O 0.85173516974256 0.00000000000000 0.20137897681014 15.999 > 65 67 O 0.34692987429210 0.00000000000000 0.00000000000000 15.999 > 67 68 O 0.84692987429210 0.00000000000000 0.00000000000000 15.999 > 67 69 O 0.35173516974255 0.00000000000000 0.79862102318986 15.999 > 69 70 O 0.85173516974256 0.00000000000000 0.79862102318986 15.999 > 69 71 O 0.25000000000000 0.29661271064195 0.50000000000000 15.999 > 71 72 O 0.75000000000000 0.29661271064195 0.50000000000000 15.999 > 71 73 O 0.25000000000000 0.30988742043247 0.10494425601699 15.999 > 73 74 O 0.75000000000000 0.30988742043247 0.10494425601699 15.999 > 73 75 O 0.25000000000000 0.30941919228373 0.29644606359124 15.999 > 75 76 O 0.75000000000000 0.30941919228373 0.29644606359124 15.999 > 75 77 O 0.25000000000000 0.30941919228373 0.70355393640876 15.999 > 77 78 O 0.75000000000000 0.30941919228373 0.70355393640876 15.999 > 77 79 O 0.25000000000000 0.30988742043247 0.89505574398301 15.999 > 79 80 O 0.75000000000000 0.30988742043247 0.89505574398301 15.999 > 79 81 O 0.00000000000000 0.19011257956753 0.10494425601699 15.999 > 41 82 O 0.50000000000000 0.19011257956753 0.10494425601699 15.999 > 41 83 O 0.00000000000000 0.20338728935805 0.50000000000000 15.999 > 43 84 O 0.50000000000000 0.20338728935805 0.50000000000000 15.999 > 43 85 O 0.00000000000000 0.19058080771627 0.29644606359124 15.999 > 45 86 O 0.50000000000000 0.19058080771627 0.29644606359124 15.999 > 45 87 O 0.00000000000000 0.19011257956753 0.89505574398301 15.999 > 47 88 O 0.50000000000000 0.19011257956753 0.89505574398301 15.999 > 47 89 O 0.00000000000000 0.19058080771627 0.70355393640876 15.999 > 49 90 O 0.50000000000000 0.19058080771627 0.70355393640876 15.999 > 49 91 O 0.40468075522017 0.50000000000000 0.59544585024526 15.999 > 51 92 O 0.90468075522017 0.50000000000000 0.59544585024526 15.999 > 51 93 O 0.40468075522017 0.50000000000000 0.40455414975474 15.999 > 53 94 O 0.90468075522017 0.50000000000000 0.40455414975474 15.999 > 53 95 O 0.39826483025745 0.50000000000000 0.79862102318986 15.999 > 55 96 O 0.89826483025744 0.50000000000000 0.79862102318986 15.999 > 55 97 O 0.39826483025745 0.50000000000000 0.20137897681014 15.999 > 57 98 O 0.89826483025744 0.50000000000000 0.20137897681014 15.999 > 57 99 O 0.40307012570790 0.50000000000000 0.00000000000000 15.999 > 59 100 O 0.90307012570790 0.50000000000000 0.00000000000000 15.999 > 59 101 O 0.09531924477983 0.50000000000000 0.59544585024526 15.999 > 61 102 O 0.59531924477983 0.50000000000000 0.59544585024526 15.999 > 61 103 O 0.09531924477983 0.50000000000000 0.40455414975474 15.999 > 63 104 O 0.59531924477983 0.50000000000000 0.40455414975474 15.999 > 63 105 O 0.10173516974256 0.50000000000000 0.20137897681014 15.999 > 65 106 O 0.60173516974256 0.50000000000000 0.20137897681014 15.999 > 65 107 O 0.09692987429210 0.50000000000000 0.00000000000000 15.999 > 67 108 O 0.59692987429210 0.50000000000000 0.00000000000000 15.999 > 67 109 O 0.10173516974256 0.50000000000000 0.79862102318986 15.999 > 69 110 O 0.60173516974256 0.50000000000000 0.79862102318986 15.999 > 69 111 O 0.00000000000000 0.79661271064195 0.50000000000000 15.999 > 71 112 O 0.50000000000000 0.79661271064195 0.50000000000000 15.999 > 71 113 O 0.00000000000000 0.80988742043247 0.10494425601699 15.999 > 73 114 O 0.50000000000000 0.80988742043247 0.10494425601699 15.999 > 73 115 O 0.00000000000000 0.80941919228373 0.29644606359124 15.999 > 75 116 O 0.50000000000000 0.80941919228373 0.29644606359124 15.999 > 75 117 O 0.00000000000000 0.80941919228373 0.70355393640876 15.999 > 77 118 O 0.50000000000000 0.80941919228373 0.70355393640876 15.999 > 77 119 O 0.00000000000000 0.80988742043247 0.89505574398301 15.999 > 79 120 O 0.50000000000000 0.80988742043247 0.89505574398301 15.999 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2124730 0.0000000 0.0000000 0.0000000 5.0543358 0.0000000 0.0000000 0.0000000 5.7999248 -------------------------- Born effective charges -------------------------- 1 Ti 6.4539701 0.0000000 0.0000000 0.0000000 4.9637608 0.0000000 0.0000000 0.0000000 6.7656457 2 Ti 6.4539701 0.0000000 0.0000000 0.0000000 4.9637608 0.0000000 0.0000000 0.0000000 6.7656457 3 Ti 5.0864699 0.0000000 0.0000000 0.0000000 6.5173017 0.0000000 0.0000000 0.0000000 6.7325951 4 Sn 4.8646203 0.0000000 0.0000000 0.0000000 3.8743305 0.0000000 0.0000000 0.0000000 4.6621103 5 Sn 4.8646203 0.0000000 0.0000000 0.0000000 3.8743305 0.0000000 0.0000000 0.0000000 4.6621103 6 Sn 4.3510675 0.0000000 0.0000000 0.0000000 2.9895167 0.0000000 0.0000000 0.0000000 5.6491514 7 Sn 4.2663293 0.0000000 0.0000000 0.0000000 4.9768233 0.0000000 0.0000000 0.0000000 4.5937742 8 Sn 3.8857943 0.0000000 0.0000000 0.0000000 4.8659575 0.0000000 0.0000000 0.0000000 4.6633654 9 Sn 3.8857943 0.0000000 0.0000000 0.0000000 4.8659575 0.0000000 0.0000000 0.0000000 4.6633654 10 Sn 4.2663293 0.0000000 0.0000000 0.0000000 4.9768233 0.0000000 0.0000000 0.0000000 4.5937742 11 O -1.3580758 0.0000000 0.0000000 0.0000000 -3.1070960 0.6155534 0.0000000 0.7240975 -3.0914063 12 O -1.3215326 0.0000000 0.0000000 0.0000000 -4.2301862 0.0000000 0.0000000 0.0000000 -1.9563630 13 O -1.3594428 0.0000000 0.0000000 0.0000000 -3.1142429 -0.7542192 0.0000000 -0.7385289 -3.0489248 14 O -1.3580758 0.0000000 0.0000000 0.0000000 -3.1070960 -0.6155534 0.0000000 -0.7240975 -3.0914063 15 O -1.3594428 0.0000000 0.0000000 0.0000000 -3.1142429 0.7542192 0.0000000 0.7385289 -3.0489248 16 O -3.1325547 0.0000000 0.7668759 0.0000000 -1.3629314 0.0000000 0.7415149 0.0000000 -3.0363507 17 O -3.1325547 0.0000000 -0.7668759 0.0000000 -1.3629314 0.0000000 -0.7415149 0.0000000 -3.0363507 18 O -4.2130816 0.0000000 0.0554386 0.0000000 -1.3335993 0.0000000 0.0009324 0.0000000 -1.9453912 19 O -4.2130816 0.0000000 -0.0554386 0.0000000 -1.3335993 0.0000000 -0.0009324 0.0000000 -1.9453912 20 O -2.7416403 0.0000000 0.0000000 0.0000000 -1.3683561 0.0000000 0.0000000 0.0000000 -2.6752596 21 O -3.1325547 0.0000000 -0.7668759 0.0000000 -1.3629314 0.0000000 -0.7415149 0.0000000 -3.0363507 22 O -3.1325547 0.0000000 0.7668759 0.0000000 -1.3629314 0.0000000 0.7415149 0.0000000 -3.0363507 23 O -4.2130816 0.0000000 0.0554386 0.0000000 -1.3335993 0.0000000 0.0009324 0.0000000 -1.9453912 24 O -2.7416403 0.0000000 0.0000000 0.0000000 -1.3683561 0.0000000 0.0000000 0.0000000 -2.6752596 25 O -4.2130816 0.0000000 -0.0554386 0.0000000 -1.3335993 0.0000000 -0.0009324 0.0000000 -1.9453912 26 O -1.3215326 0.0000000 0.0000000 0.0000000 -4.2301862 0.0000000 0.0000000 0.0000000 -1.9563630 27 O -1.3580758 0.0000000 0.0000000 0.0000000 -3.1070960 -0.6155534 0.0000000 -0.7240975 -3.0914063 28 O -1.3594428 0.0000000 0.0000000 0.0000000 -3.1142429 0.7542192 0.0000000 0.7385289 -3.0489248 29 O -1.3594428 0.0000000 0.0000000 0.0000000 -3.1142429 -0.7542192 0.0000000 -0.7385289 -3.0489248 30 O -1.3580758 0.0000000 0.0000000 0.0000000 -3.1070960 0.6155534 0.0000000 0.7240975 -3.0914063 ---------------------------------------------------------------------------- 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[ 5, 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[ 13, 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[ 19, 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[ 21, 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[ 41, 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[ 43, 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[ 45, 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[ 51, 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[ 55, 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: 0.00000003 (yyx) 0.00000003 (yyx) 0.00000003 (yxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) 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 2026-01-09 00:36:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:36:21]------------------------- 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: Cmmm (65) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.335421940000000 -3.337310425000000 0.000000000000000 b 3.335421940000000 3.337310425000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.726455100000001 Atomic positions (fractional): 1 Ti 0.00000000000000 0.00000000000000 0.20052632001045 47.867 2 Ti 0.00000000000000 0.00000000000000 0.79947367998955 47.867 3 Ti 0.50000000000000 0.50000000000000 0.50000000000000 47.867 4 Sn 0.00000000000000 0.00000000000000 0.59941359132362 118.710 5 Sn 0.00000000000000 0.00000000000000 0.40058640867638 118.710 6 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 7 Sn 0.50000000000000 0.50000000000000 0.10269725159977 118.710 8 Sn 0.50000000000000 0.50000000000000 0.30067684918008 118.710 9 Sn 0.50000000000000 0.50000000000000 0.69932315081992 118.710 10 Sn 0.50000000000000 0.50000000000000 0.89730274840023 118.710 11 O 0.80988742043247 0.19011257956753 0.10494425601699 15.999 12 O 0.79661271064195 0.20338728935805 0.50000000000000 15.999 13 O 0.80941919228373 0.19058080771627 0.29644606359124 15.999 14 O 0.80988742043247 0.19011257956753 0.89505574398301 15.999 15 O 0.80941919228373 0.19058080771627 0.70355393640876 15.999 16 O 0.30936151044033 0.30936151044033 0.59544585024526 15.999 17 O 0.30936151044033 0.30936151044033 0.40455414975474 15.999 18 O 0.29652966051489 0.29652966051489 0.79862102318986 15.999 19 O 0.29652966051489 0.29652966051489 0.20137897681014 15.999 20 O 0.30614025141580 0.30614025141580 0.00000000000000 15.999 21 O 0.69063848955967 0.69063848955967 0.59544585024526 15.999 22 O 0.69063848955967 0.69063848955967 0.40455414975474 15.999 23 O 0.70347033948511 0.70347033948511 0.20137897681014 15.999 24 O 0.69385974858420 0.69385974858420 0.00000000000000 15.999 25 O 0.70347033948511 0.70347033948511 0.79862102318986 15.999 26 O 0.20338728935805 0.79661271064195 0.50000000000000 15.999 27 O 0.19011257956753 0.80988742043247 0.10494425601699 15.999 28 O 0.19058080771627 0.80941919228373 0.29644606359124 15.999 29 O 0.19058080771627 0.80941919228373 0.70355393640876 15.999 30 O 0.19011257956753 0.80988742043247 0.89505574398301 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.341687759999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.674620850000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.726455100000001 Atomic positions (fractional): 1 Ti 0.00000000000000 0.00000000000000 0.20052632001045 47.867 > 1 2 Ti 0.50000000000000 0.00000000000000 0.20052632001045 47.867 > 1 3 Ti 0.00000000000000 0.00000000000000 0.79947367998955 47.867 > 3 4 Ti 0.50000000000000 0.00000000000000 0.79947367998955 47.867 > 3 5 Ti 0.25000000000000 0.00000000000000 0.50000000000000 47.867 > 5 6 Ti 0.75000000000000 0.00000000000000 0.50000000000000 47.867 > 5 7 Ti 0.25000000000000 0.50000000000000 0.20052632001045 47.867 > 1 8 Ti 0.75000000000000 0.50000000000000 0.20052632001045 47.867 > 1 9 Ti 0.25000000000000 0.50000000000000 0.79947367998955 47.867 > 3 10 Ti 0.75000000000000 0.50000000000000 0.79947367998955 47.867 > 3 11 Ti 0.00000000000000 0.50000000000000 0.50000000000000 47.867 > 5 12 Ti 0.50000000000000 0.50000000000000 0.50000000000000 47.867 > 5 13 Sn 0.00000000000000 0.00000000000000 0.59941359132362 118.710 > 13 14 Sn 0.50000000000000 0.00000000000000 0.59941359132362 118.710 > 13 15 Sn 0.00000000000000 0.00000000000000 0.40058640867638 118.710 > 15 16 Sn 0.50000000000000 0.00000000000000 0.40058640867638 118.710 > 15 17 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 17 18 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 17 19 Sn 0.25000000000000 0.00000000000000 0.10269725159977 118.710 > 19 20 Sn 0.75000000000000 0.00000000000000 0.10269725159977 118.710 > 19 21 Sn 0.25000000000000 0.00000000000000 0.30067684918008 118.710 > 21 22 Sn 0.75000000000000 0.00000000000000 0.30067684918008 118.710 > 21 23 Sn 0.25000000000000 0.00000000000000 0.69932315081992 118.710 > 23 24 Sn 0.75000000000000 0.00000000000000 0.69932315081992 118.710 > 23 25 Sn 0.25000000000000 0.00000000000000 0.89730274840023 118.710 > 25 26 Sn 0.75000000000000 0.00000000000000 0.89730274840023 118.710 > 25 27 Sn 0.25000000000000 0.50000000000000 0.59941359132362 118.710 > 13 28 Sn 0.75000000000000 0.50000000000000 0.59941359132362 118.710 > 13 29 Sn 0.25000000000000 0.50000000000000 0.40058640867638 118.710 > 15 30 Sn 0.75000000000000 0.50000000000000 0.40058640867638 118.710 > 15 31 Sn 0.25000000000000 0.50000000000000 0.00000000000000 118.710 > 17 32 Sn 0.75000000000000 0.50000000000000 0.00000000000000 118.710 > 17 33 Sn 0.00000000000000 0.50000000000000 0.10269725159977 118.710 > 19 34 Sn 0.50000000000000 0.50000000000000 0.10269725159977 118.710 > 19 35 Sn 0.00000000000000 0.50000000000000 0.30067684918008 118.710 > 21 36 Sn 0.50000000000000 0.50000000000000 0.30067684918008 118.710 > 21 37 Sn 0.00000000000000 0.50000000000000 0.69932315081992 118.710 > 23 38 Sn 0.50000000000000 0.50000000000000 0.69932315081992 118.710 > 23 39 Sn 0.00000000000000 0.50000000000000 0.89730274840023 118.710 > 25 40 Sn 0.50000000000000 0.50000000000000 0.89730274840023 118.710 > 25 41 O 0.25000000000000 0.69011257956753 0.10494425601699 15.999 > 41 42 O 0.75000000000000 0.69011257956753 0.10494425601699 15.999 > 41 43 O 0.25000000000000 0.70338728935805 0.50000000000000 15.999 > 43 44 O 0.75000000000000 0.70338728935805 0.50000000000000 15.999 > 43 45 O 0.25000000000000 0.69058080771627 0.29644606359124 15.999 > 45 46 O 0.75000000000000 0.69058080771627 0.29644606359124 15.999 > 45 47 O 0.25000000000000 0.69011257956753 0.89505574398301 15.999 > 47 48 O 0.75000000000000 0.69011257956753 0.89505574398301 15.999 > 47 49 O 0.25000000000000 0.69058080771627 0.70355393640876 15.999 > 49 50 O 0.75000000000000 0.69058080771627 0.70355393640876 15.999 > 49 51 O 0.15468075522017 0.00000000000000 0.59544585024526 15.999 > 51 52 O 0.65468075522017 0.00000000000000 0.59544585024526 15.999 > 51 53 O 0.15468075522017 0.00000000000000 0.40455414975474 15.999 > 53 54 O 0.65468075522017 0.00000000000000 0.40455414975474 15.999 > 53 55 O 0.14826483025744 0.00000000000000 0.79862102318986 15.999 > 55 56 O 0.64826483025744 0.00000000000000 0.79862102318986 15.999 > 55 57 O 0.14826483025744 0.00000000000000 0.20137897681014 15.999 > 57 58 O 0.64826483025744 0.00000000000000 0.20137897681014 15.999 > 57 59 O 0.15307012570790 0.00000000000000 0.00000000000000 15.999 > 59 60 O 0.65307012570790 0.00000000000000 0.00000000000000 15.999 > 59 61 O 0.34531924477983 0.00000000000000 0.59544585024526 15.999 > 61 62 O 0.84531924477983 0.00000000000000 0.59544585024526 15.999 > 61 63 O 0.34531924477983 0.00000000000000 0.40455414975474 15.999 > 63 64 O 0.84531924477983 0.00000000000000 0.40455414975474 15.999 > 63 65 O 0.35173516974255 0.00000000000000 0.20137897681014 15.999 > 65 66 O 0.85173516974256 0.00000000000000 0.20137897681014 15.999 > 65 67 O 0.34692987429210 0.00000000000000 0.00000000000000 15.999 > 67 68 O 0.84692987429210 0.00000000000000 0.00000000000000 15.999 > 67 69 O 0.35173516974255 0.00000000000000 0.79862102318986 15.999 > 69 70 O 0.85173516974256 0.00000000000000 0.79862102318986 15.999 > 69 71 O 0.25000000000000 0.29661271064195 0.50000000000000 15.999 > 71 72 O 0.75000000000000 0.29661271064195 0.50000000000000 15.999 > 71 73 O 0.25000000000000 0.30988742043247 0.10494425601699 15.999 > 73 74 O 0.75000000000000 0.30988742043247 0.10494425601699 15.999 > 73 75 O 0.25000000000000 0.30941919228373 0.29644606359124 15.999 > 75 76 O 0.75000000000000 0.30941919228373 0.29644606359124 15.999 > 75 77 O 0.25000000000000 0.30941919228373 0.70355393640876 15.999 > 77 78 O 0.75000000000000 0.30941919228373 0.70355393640876 15.999 > 77 79 O 0.25000000000000 0.30988742043247 0.89505574398301 15.999 > 79 80 O 0.75000000000000 0.30988742043247 0.89505574398301 15.999 > 79 81 O 0.00000000000000 0.19011257956753 0.10494425601699 15.999 > 41 82 O 0.50000000000000 0.19011257956753 0.10494425601699 15.999 > 41 83 O 0.00000000000000 0.20338728935805 0.50000000000000 15.999 > 43 84 O 0.50000000000000 0.20338728935805 0.50000000000000 15.999 > 43 85 O 0.00000000000000 0.19058080771627 0.29644606359124 15.999 > 45 86 O 0.50000000000000 0.19058080771627 0.29644606359124 15.999 > 45 87 O 0.00000000000000 0.19011257956753 0.89505574398301 15.999 > 47 88 O 0.50000000000000 0.19011257956753 0.89505574398301 15.999 > 47 89 O 0.00000000000000 0.19058080771627 0.70355393640876 15.999 > 49 90 O 0.50000000000000 0.19058080771627 0.70355393640876 15.999 > 49 91 O 0.40468075522017 0.50000000000000 0.59544585024526 15.999 > 51 92 O 0.90468075522017 0.50000000000000 0.59544585024526 15.999 > 51 93 O 0.40468075522017 0.50000000000000 0.40455414975474 15.999 > 53 94 O 0.90468075522017 0.50000000000000 0.40455414975474 15.999 > 53 95 O 0.39826483025745 0.50000000000000 0.79862102318986 15.999 > 55 96 O 0.89826483025744 0.50000000000000 0.79862102318986 15.999 > 55 97 O 0.39826483025745 0.50000000000000 0.20137897681014 15.999 > 57 98 O 0.89826483025744 0.50000000000000 0.20137897681014 15.999 > 57 99 O 0.40307012570790 0.50000000000000 0.00000000000000 15.999 > 59 100 O 0.90307012570790 0.50000000000000 0.00000000000000 15.999 > 59 101 O 0.09531924477983 0.50000000000000 0.59544585024526 15.999 > 61 102 O 0.59531924477983 0.50000000000000 0.59544585024526 15.999 > 61 103 O 0.09531924477983 0.50000000000000 0.40455414975474 15.999 > 63 104 O 0.59531924477983 0.50000000000000 0.40455414975474 15.999 > 63 105 O 0.10173516974256 0.50000000000000 0.20137897681014 15.999 > 65 106 O 0.60173516974256 0.50000000000000 0.20137897681014 15.999 > 65 107 O 0.09692987429210 0.50000000000000 0.00000000000000 15.999 > 67 108 O 0.59692987429210 0.50000000000000 0.00000000000000 15.999 > 67 109 O 0.10173516974256 0.50000000000000 0.79862102318986 15.999 > 69 110 O 0.60173516974256 0.50000000000000 0.79862102318986 15.999 > 69 111 O 0.00000000000000 0.79661271064195 0.50000000000000 15.999 > 71 112 O 0.50000000000000 0.79661271064195 0.50000000000000 15.999 > 71 113 O 0.00000000000000 0.80988742043247 0.10494425601699 15.999 > 73 114 O 0.50000000000000 0.80988742043247 0.10494425601699 15.999 > 73 115 O 0.00000000000000 0.80941919228373 0.29644606359124 15.999 > 75 116 O 0.50000000000000 0.80941919228373 0.29644606359124 15.999 > 75 117 O 0.00000000000000 0.80941919228373 0.70355393640876 15.999 > 77 118 O 0.50000000000000 0.80941919228373 0.70355393640876 15.999 > 77 119 O 0.00000000000000 0.80988742043247 0.89505574398301 15.999 > 79 120 O 0.50000000000000 0.80988742043247 0.89505574398301 15.999 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.2124730 0.0000000 0.0000000 0.0000000 5.0543358 0.0000000 0.0000000 0.0000000 5.7999248 -------------------------- Born effective charges -------------------------- 1 Ti 6.4539701 0.0000000 0.0000000 0.0000000 4.9637608 0.0000000 0.0000000 0.0000000 6.7656457 2 Ti 6.4539701 0.0000000 0.0000000 0.0000000 4.9637608 0.0000000 0.0000000 0.0000000 6.7656457 3 Ti 5.0864699 0.0000000 0.0000000 0.0000000 6.5173017 0.0000000 0.0000000 0.0000000 6.7325951 4 Sn 4.8646203 0.0000000 0.0000000 0.0000000 3.8743305 0.0000000 0.0000000 0.0000000 4.6621103 5 Sn 4.8646203 0.0000000 0.0000000 0.0000000 3.8743305 0.0000000 0.0000000 0.0000000 4.6621103 6 Sn 4.3510675 0.0000000 0.0000000 0.0000000 2.9895167 0.0000000 0.0000000 0.0000000 5.6491514 7 Sn 4.2663293 0.0000000 0.0000000 0.0000000 4.9768233 0.0000000 0.0000000 0.0000000 4.5937742 8 Sn 3.8857943 0.0000000 0.0000000 0.0000000 4.8659575 0.0000000 0.0000000 0.0000000 4.6633654 9 Sn 3.8857943 0.0000000 0.0000000 0.0000000 4.8659575 0.0000000 0.0000000 0.0000000 4.6633654 10 Sn 4.2663293 0.0000000 0.0000000 0.0000000 4.9768233 0.0000000 0.0000000 0.0000000 4.5937742 11 O -1.3580758 0.0000000 0.0000000 0.0000000 -3.1070960 0.6155534 0.0000000 0.7240975 -3.0914063 12 O -1.3215326 0.0000000 0.0000000 0.0000000 -4.2301862 0.0000000 0.0000000 0.0000000 -1.9563630 13 O -1.3594428 0.0000000 0.0000000 0.0000000 -3.1142429 -0.7542192 0.0000000 -0.7385289 -3.0489248 14 O -1.3580758 0.0000000 0.0000000 0.0000000 -3.1070960 -0.6155534 0.0000000 -0.7240975 -3.0914063 15 O -1.3594428 0.0000000 0.0000000 0.0000000 -3.1142429 0.7542192 0.0000000 0.7385289 -3.0489248 16 O -3.1325547 0.0000000 0.7668759 0.0000000 -1.3629314 0.0000000 0.7415149 0.0000000 -3.0363507 17 O -3.1325547 0.0000000 -0.7668759 0.0000000 -1.3629314 0.0000000 -0.7415149 0.0000000 -3.0363507 18 O -4.2130816 0.0000000 0.0554386 0.0000000 -1.3335993 0.0000000 0.0009324 0.0000000 -1.9453912 19 O -4.2130816 0.0000000 -0.0554386 0.0000000 -1.3335993 0.0000000 -0.0009324 0.0000000 -1.9453912 20 O -2.7416403 0.0000000 0.0000000 0.0000000 -1.3683561 0.0000000 0.0000000 0.0000000 -2.6752596 21 O -3.1325547 0.0000000 -0.7668759 0.0000000 -1.3629314 0.0000000 -0.7415149 0.0000000 -3.0363507 22 O -3.1325547 0.0000000 0.7668759 0.0000000 -1.3629314 0.0000000 0.7415149 0.0000000 -3.0363507 23 O -4.2130816 0.0000000 0.0554386 0.0000000 -1.3335993 0.0000000 0.0009324 0.0000000 -1.9453912 24 O -2.7416403 0.0000000 0.0000000 0.0000000 -1.3683561 0.0000000 0.0000000 0.0000000 -2.6752596 25 O -4.2130816 0.0000000 -0.0554386 0.0000000 -1.3335993 0.0000000 -0.0009324 0.0000000 -1.9453912 26 O -1.3215326 0.0000000 0.0000000 0.0000000 -4.2301862 0.0000000 0.0000000 0.0000000 -1.9563630 27 O -1.3580758 0.0000000 0.0000000 0.0000000 -3.1070960 -0.6155534 0.0000000 -0.7240975 -3.0914063 28 O -1.3594428 0.0000000 0.0000000 0.0000000 -3.1142429 0.7542192 0.0000000 0.7385289 -3.0489248 29 O -1.3594428 0.0000000 0.0000000 0.0000000 -3.1142429 -0.7542192 0.0000000 -0.7385289 -3.0489248 30 O -1.3580758 0.0000000 0.0000000 0.0000000 -3.1070960 0.6155534 0.0000000 0.7240975 -3.0914063 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (yyx) 0.00000003 (yyx) 0.00000003 (yxy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 3 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.59, Number of G-points: 287, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.135 ( 0.000 0.000 0.000) 0.000 2.216 ( 0.000 0.000 0.000) 0.000 2.227 ( 0.000 0.000 0.000) 0.000 2.313 ( 0.000 0.000 0.000) 0.000 3.307 ( 0.000 0.000 0.000) 0.000 3.372 ( 0.000 0.000 0.000) 0.000 3.479 ( 0.000 0.000 0.000) 0.000 3.554 ( 0.000 0.000 0.000) 0.000 3.578 ( 0.000 0.000 0.000) 0.000 4.192 ( 0.000 0.000 0.000) 0.000 4.665 ( 0.000 0.000 0.000) 0.000 4.786 ( 0.000 0.000 0.000) 0.000 4.893 ( 0.000 0.000 0.000) 0.000 4.944 ( 0.000 0.000 0.000) 0.000 5.704 ( 0.000 0.000 0.000) 0.000 5.873 ( 0.000 0.000 0.000) 0.000 5.940 ( 0.000 0.000 0.000) 0.000 6.433 ( 0.000 0.000 0.000) 0.000 6.471 ( 0.000 0.000 0.000) 0.000 6.564 ( 0.000 0.000 0.000) 0.000 6.619 ( 0.000 0.000 0.000) 0.000 6.668 ( 0.000 0.000 0.000) 0.000 6.711 ( 0.000 0.000 0.000) 0.000 6.838 ( 0.000 0.000 0.000) 0.000 6.848 ( 0.000 0.000 0.000) 0.000 7.179 ( 0.000 0.000 0.000) 0.000 7.473 ( 0.000 0.000 0.000) 0.000 7.676 ( 0.000 0.000 0.000) 0.000 7.712 ( 0.000 0.000 0.000) 0.000 8.091 ( 0.000 0.000 0.000) 0.000 8.137 ( 0.000 0.000 0.000) 0.000 8.237 ( 0.000 0.000 0.000) 0.000 8.294 ( 0.000 0.000 0.000) 0.000 8.447 ( 0.000 0.000 0.000) 0.000 8.651 ( 0.000 0.000 0.000) 0.000 8.770 ( 0.000 0.000 0.000) 0.000 8.859 ( 0.000 0.000 0.000) 0.000 9.107 ( 0.000 0.000 0.000) 0.000 9.148 ( 0.000 0.000 0.000) 0.000 9.427 ( 0.000 0.000 0.000) 0.000 9.485 ( 0.000 0.000 0.000) 0.000 9.605 ( 0.000 0.000 0.000) 0.000 9.672 ( 0.000 0.000 0.000) 0.000 10.116 ( 0.000 0.000 0.000) 0.000 10.606 ( 0.000 0.000 0.000) 0.000 10.771 ( 0.000 0.000 0.000) 0.000 11.141 ( 0.000 0.000 0.000) 0.000 11.149 ( 0.000 0.000 0.000) 0.000 11.747 ( 0.000 0.000 0.000) 0.000 12.567 ( 0.000 0.000 0.000) 0.000 12.625 ( 0.000 0.000 0.000) 0.000 13.022 ( 0.000 0.000 0.000) 0.000 13.070 ( 0.000 0.000 0.000) 0.000 13.879 ( 0.000 0.000 0.000) 0.000 14.158 ( 0.000 0.000 0.000) 0.000 14.252 ( 0.000 0.000 0.000) 0.000 14.292 ( 0.000 0.000 0.000) 0.000 14.592 ( 0.000 0.000 0.000) 0.000 15.376 ( 0.000 0.000 0.000) 0.000 15.378 ( 0.000 0.000 0.000) 0.000 15.432 ( 0.000 0.000 0.000) 0.000 15.685 ( 0.000 0.000 0.000) 0.000 15.870 ( 0.000 0.000 0.000) 0.000 16.116 ( 0.000 0.000 0.000) 0.000 16.122 ( 0.000 0.000 0.000) 0.000 16.346 ( 0.000 0.000 0.000) 0.000 16.451 ( 0.000 0.000 0.000) 0.000 16.686 ( 0.000 0.000 0.000) 0.000 16.816 ( 0.000 0.000 0.000) 0.000 16.909 ( 0.000 0.000 0.000) 0.000 16.915 ( 0.000 0.000 0.000) 0.000 16.925 ( 0.000 0.000 0.000) 0.000 17.090 ( 0.000 0.000 0.000) 0.000 17.347 ( 0.000 0.000 0.000) 0.000 17.544 ( 0.000 0.000 0.000) 0.000 17.598 ( 0.000 0.000 0.000) 0.000 17.642 ( 0.000 0.000 0.000) 0.000 17.754 ( 0.000 0.000 0.000) 0.000 19.312 ( 0.000 0.000 0.000) 0.000 19.320 ( 0.000 0.000 0.000) 0.000 19.843 ( 0.000 0.000 0.000) 0.000 20.578 ( 0.000 0.000 0.000) 0.000 20.618 ( 0.000 0.000 0.000) 0.000 21.083 ( 0.000 0.000 0.000) 0.000 21.987 ( 0.000 0.000 0.000) 0.000 22.074 ( 0.000 0.000 0.000) 0.000 22.406 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.734 ( 28.275 -24.702 0.000) 37.546 1.127 ( 32.463 -48.990 0.000) 58.770 1.192 ( 51.161 -35.095 0.000) 62.041 2.345 ( 13.199 -2.936 0.000) 13.522 2.354 ( 2.625 -19.242 0.000) 19.420 2.406 ( 3.464 -22.728 0.000) 22.991 2.440 ( 11.443 -14.092 0.000) 18.153 3.394 ( -3.201 -12.644 0.000) 13.043 3.418 ( -1.840 -8.452 0.000) 8.650 3.504 ( 5.076 1.379 0.000) 5.260 3.560 ( 2.073 1.127 0.000) 2.360 3.715 ( 9.616 -9.216 0.000) 13.319 4.170 ( -1.214 2.330 0.000) 2.628 4.706 ( 3.414 -2.537 0.000) 4.253 4.826 ( 2.107 -3.414 0.000) 4.012 4.994 ( 11.305 -3.640 0.000) 11.877 5.037 ( 6.810 -7.073 0.000) 9.818 5.696 ( -0.016 1.324 0.000) 1.324 5.854 ( -13.567 -0.572 0.000) 13.579 5.884 ( 0.597 -0.255 0.000) 0.649 6.370 ( -16.904 1.372 0.000) 16.960 6.466 ( -9.900 1.713 0.000) 10.047 6.583 ( -4.109 -8.786 0.000) 9.699 6.652 ( -4.137 -1.008 0.000) 4.258 6.776 ( 17.408 -0.537 0.000) 17.417 6.806 ( -4.375 0.165 0.000) 4.378 6.906 ( -2.206 -9.808 0.000) 10.053 7.159 ( -2.548 -0.213 0.000) 2.557 7.475 ( 3.438 2.628 0.000) 4.328 7.562 ( 1.211 -11.973 0.000) 12.034 7.710 ( 2.221 -1.008 0.000) 2.439 8.050 ( -2.482 3.587 0.000) 4.362 8.088 ( -4.114 1.129 0.000) 4.266 8.189 ( -4.402 3.442 0.000) 5.588 8.199 ( -2.892 1.918 0.000) 3.470 8.371 ( 3.677 4.860 0.000) 6.094 8.624 ( 7.001 -6.235 0.000) 9.375 8.774 ( -0.196 7.296 0.000) 7.299 8.793 ( 1.913 2.931 0.000) 3.500 9.069 ( -3.100 2.456 0.000) 3.955 9.084 ( -4.534 4.398 0.000) 6.316 9.212 ( -5.779 0.521 0.000) 5.803 9.354 ( -6.223 6.339 0.000) 8.883 9.694 ( 8.288 -3.980 0.000) 9.194 9.707 ( 1.170 -3.462 0.000) 3.655 10.181 ( 7.046 -2.059 0.000) 7.341 10.553 ( -3.526 4.135 0.000) 5.434 10.726 ( -3.203 3.296 0.000) 4.595 11.054 ( 16.710 19.584 0.000) 25.744 11.132 ( -0.920 1.721 0.000) 1.951 11.156 ( 0.242 -2.060 0.000) 2.074 11.770 ( 3.219 -0.052 0.000) 3.219 12.573 ( 0.122 -0.187 0.000) 0.223 12.673 ( 0.678 1.577 0.000) 1.716 13.043 ( 2.071 -1.465 0.000) 2.537 13.184 ( -3.000 -4.602 0.000) 5.494 13.841 ( 0.452 9.609 0.000) 9.619 14.051 ( -6.543 8.335 0.000) 10.596 14.268 ( -3.363 0.514 0.000) 3.402 14.577 ( -2.395 -0.790 0.000) 2.521 14.690 ( 6.303 19.614 0.000) 20.601 15.344 ( 0.993 8.772 0.000) 8.828 15.363 ( -2.810 6.637 0.000) 7.208 15.370 ( -3.358 2.035 0.000) 3.927 15.569 ( -12.415 4.781 0.000) 13.303 15.728 ( -8.056 9.916 0.000) 12.776 15.874 ( -2.922 26.138 0.000) 26.301 16.066 ( -9.820 2.320 0.000) 10.090 16.105 ( -23.704 18.361 0.000) 29.983 16.308 ( -12.664 18.200 0.000) 22.173 16.538 ( -11.417 11.434 0.000) 16.158 16.739 ( -3.039 -1.448 0.000) 3.366 16.907 ( -11.458 -5.003 0.000) 12.502 17.152 ( 11.772 -9.429 0.000) 15.082 17.264 ( -13.819 -26.991 0.000) 30.323 17.513 ( -3.214 -0.172 0.000) 3.219 17.561 ( 21.025 -16.778 0.000) 26.899 17.847 ( 16.676 -18.143 0.000) 24.642 17.894 ( 4.757 -24.312 0.000) 24.773 18.087 ( 27.227 -9.651 0.000) 28.887 19.308 ( 3.775 3.879 0.000) 5.413 19.316 ( 2.089 2.579 0.000) 3.319 19.828 ( 0.529 2.641 0.000) 2.694 20.504 ( -4.376 5.611 0.000) 7.116 20.553 ( -0.271 8.634 0.000) 8.639 21.075 ( -0.112 0.999 0.000) 1.005 21.929 ( 9.987 12.518 0.000) 16.013 21.991 ( 7.320 7.562 0.000) 10.525 22.074 ( -1.315 -1.242 0.000) 1.808 22.413 ( -2.140 -3.051 0.000) 3.727 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.431 ( 26.145 -22.855 0.000) 34.726 2.197 ( 24.892 -49.552 0.000) 55.452 2.329 ( 53.613 -25.859 0.000) 59.524 2.630 ( 16.218 -7.280 0.000) 17.777 2.640 ( 21.668 -4.993 0.000) 22.236 2.871 ( 5.011 -34.480 0.000) 34.842 2.990 ( 8.950 -37.157 0.000) 38.220 3.533 ( -1.994 -9.539 0.000) 9.745 3.573 ( 3.998 -6.512 0.000) 7.641 3.594 ( 3.285 -13.153 0.000) 13.557 3.599 ( 3.311 -4.594 0.000) 5.663 4.057 ( 15.414 -14.766 0.000) 21.346 4.089 ( -3.394 4.963 0.000) 6.013 4.832 ( 7.736 -4.909 0.000) 9.162 4.931 ( 3.480 -6.418 0.000) 7.301 5.277 ( 18.085 -6.374 0.000) 19.175 5.290 ( 5.182 -12.771 0.000) 13.782 5.593 ( -16.090 -0.247 0.000) 16.092 5.695 ( -2.707 0.183 0.000) 2.713 5.878 ( 1.039 2.979 0.000) 3.155 6.047 ( -26.000 0.239 0.000) 26.001 6.247 ( -17.395 2.935 0.000) 17.641 6.511 ( -9.708 2.432 0.000) 10.008 6.690 ( -4.445 -2.187 0.000) 4.954 6.749 ( -3.759 -6.386 0.000) 7.411 6.988 ( 11.208 2.334 0.000) 11.448 7.035 ( -2.336 -11.661 0.000) 11.893 7.139 ( 0.194 -0.651 0.000) 0.679 7.468 ( 0.932 3.127 0.000) 3.263 7.788 ( -0.355 -5.791 0.000) 5.802 7.795 ( 2.210 -10.887 0.000) 11.109 7.946 ( -3.459 0.168 0.000) 3.463 8.017 ( -3.138 1.448 0.000) 3.456 8.068 ( -0.245 8.592 0.000) 8.595 8.134 ( -2.343 1.509 0.000) 2.787 8.301 ( -1.053 4.275 0.000) 4.402 8.557 ( -1.006 19.287 0.000) 19.314 8.794 ( 3.519 2.133 0.000) 4.115 8.870 ( 8.761 -1.300 0.000) 8.857 8.932 ( -4.172 7.532 0.000) 8.611 8.961 ( -5.508 4.503 0.000) 7.115 9.084 ( -7.681 4.663 0.000) 8.986 9.172 ( -1.367 5.240 0.000) 5.415 9.784 ( 1.279 -4.943 0.000) 5.106 9.909 ( 11.153 -6.877 0.000) 13.103 10.347 ( 11.606 -2.880 0.000) 11.958 10.405 ( -6.476 7.102 0.000) 9.611 10.598 ( -5.759 6.250 0.000) 8.499 11.003 ( 6.704 11.195 0.000) 13.049 11.074 ( -2.688 3.187 0.000) 4.170 11.210 ( 1.280 -4.536 0.000) 4.713 11.829 ( 5.139 0.080 0.000) 5.140 12.551 ( -2.042 2.274 0.000) 3.056 12.634 ( -7.061 -1.480 0.000) 7.215 13.135 ( 5.606 -4.820 0.000) 7.393 13.209 ( 2.649 2.240 0.000) 3.469 13.532 ( -5.952 23.441 0.000) 24.185 13.951 ( 1.243 3.813 0.000) 4.010 14.174 ( -7.418 2.501 0.000) 7.828 14.462 ( -9.079 9.769 0.000) 13.337 14.565 ( -2.116 -2.104 0.000) 2.984 15.071 ( 0.081 28.976 0.000) 28.976 15.099 ( -36.580 3.842 0.000) 36.781 15.160 ( -14.549 9.006 0.000) 17.111 15.325 ( -11.095 0.521 0.000) 11.107 15.462 ( -5.398 14.408 0.000) 15.386 15.572 ( -1.150 10.140 0.000) 10.205 15.582 ( -4.935 21.908 0.000) 22.457 15.727 ( -15.129 11.789 0.000) 19.179 16.126 ( -3.277 1.380 0.000) 3.556 16.283 ( -11.421 3.477 0.000) 11.939 16.773 ( 6.645 1.360 0.000) 6.783 16.895 ( -1.891 -5.455 0.000) 5.774 17.436 ( -1.926 2.623 0.000) 3.255 17.451 ( 11.786 -9.810 0.000) 15.335 17.520 ( -3.942 -21.860 0.000) 22.213 18.036 ( 17.578 -13.361 0.000) 22.079 18.226 ( -2.710 -19.529 0.000) 19.717 18.362 ( 16.096 -17.757 0.000) 23.967 18.432 ( 17.962 0.831 0.000) 17.981 19.307 ( 4.033 5.577 0.000) 6.882 19.312 ( 6.888 7.492 0.000) 10.177 19.791 ( -0.091 3.153 0.000) 3.154 20.358 ( -1.829 6.756 0.000) 7.000 20.416 ( -0.923 8.388 0.000) 8.439 21.054 ( -0.242 1.627 0.000) 1.645 21.891 ( 4.281 7.517 0.000) 8.651 21.981 ( 10.161 10.847 0.000) 14.863 22.066 ( -3.266 -1.895 0.000) 3.776 22.425 ( -3.787 -4.443 0.000) 5.838 ======================= Grid point 3 (4/72) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 22.878 -20.062 0.000) 30.429 3.007 ( 22.430 -8.566 0.000) 24.010 3.046 ( 25.183 -10.011 0.000) 27.100 3.094 ( 7.461 -40.901 0.000) 41.576 3.294 ( 49.925 -7.436 0.000) 50.476 3.439 ( 8.944 -35.957 0.000) 37.052 3.529 ( 5.523 -20.726 0.000) 21.449 3.604 ( 4.409 -1.902 0.000) 4.801 3.719 ( 15.353 -0.735 0.000) 15.370 3.864 ( 5.361 -26.434 0.000) 26.972 3.944 ( -5.553 6.961 0.000) 8.905 3.978 ( 6.105 -33.757 0.000) 34.305 4.505 ( 16.649 -18.010 0.000) 24.526 5.044 ( 11.379 -6.093 0.000) 12.907 5.089 ( 2.296 -9.482 0.000) 9.756 5.163 ( -25.664 -1.559 0.000) 25.711 5.503 ( -7.945 -3.011 0.000) 8.497 5.622 ( 1.669 0.954 0.000) 1.922 5.754 ( -0.855 -12.219 0.000) 12.248 5.779 ( -4.649 -0.374 0.000) 4.664 5.853 ( 5.853 3.803 0.000) 6.979 5.958 ( -14.928 -2.089 0.000) 15.073 6.326 ( -11.446 1.779 0.000) 11.584 6.587 ( -8.002 0.848 0.000) 8.047 6.816 ( -2.504 -5.442 0.000) 5.991 7.016 ( -1.196 0.289 0.000) 1.230 7.100 ( -4.640 -3.930 0.000) 6.080 7.165 ( 1.824 1.835 0.000) 2.587 7.418 ( -3.546 1.820 0.000) 3.986 7.688 ( -6.134 9.509 0.000) 11.316 7.710 ( -15.213 1.302 0.000) 15.269 7.955 ( 4.242 11.226 0.000) 12.001 8.001 ( -0.928 0.075 0.000) 0.931 8.041 ( 0.867 4.356 0.000) 4.442 8.099 ( -0.153 4.305 0.000) 4.307 8.298 ( -2.739 -1.653 0.000) 3.199 8.318 ( -0.734 3.538 0.000) 3.613 8.629 ( -7.602 3.196 0.000) 8.247 8.729 ( -2.299 14.133 0.000) 14.318 8.805 ( -6.805 5.531 0.000) 8.769 8.890 ( -8.231 6.309 0.000) 10.370 9.079 ( 17.125 -2.961 0.000) 17.379 9.303 ( 13.065 -4.434 0.000) 13.797 9.863 ( 0.062 -4.781 0.000) 4.782 10.150 ( 8.745 -7.047 0.000) 11.231 10.197 ( -8.207 8.193 0.000) 11.596 10.410 ( -7.020 7.359 0.000) 10.170 10.557 ( 12.801 -2.654 0.000) 13.073 10.933 ( 2.017 8.042 0.000) 8.292 10.981 ( -2.152 4.843 0.000) 5.300 11.318 ( 2.972 -7.194 0.000) 7.784 11.899 ( 5.401 0.359 0.000) 5.413 12.449 ( -4.627 5.831 0.000) 7.444 12.503 ( -13.951 0.129 0.000) 13.951 13.005 ( -4.447 22.734 0.000) 23.164 13.322 ( 8.236 -8.108 0.000) 11.557 13.362 ( 4.952 1.171 0.000) 5.089 13.901 ( 0.041 6.656 0.000) 6.656 14.018 ( -7.420 4.438 0.000) 8.646 14.205 ( -14.079 4.210 0.000) 14.695 14.541 ( -7.978 2.508 0.000) 8.363 14.555 ( -32.680 0.044 0.000) 32.680 14.690 ( -4.879 12.677 0.000) 13.584 14.819 ( -9.929 13.778 0.000) 16.983 15.131 ( -7.035 9.867 0.000) 12.118 15.162 ( -2.716 20.932 0.000) 21.107 15.357 ( -2.079 6.899 0.000) 7.206 15.400 ( -5.896 9.744 0.000) 11.389 15.541 ( -2.204 -0.029 0.000) 2.204 16.084 ( -2.593 -0.717 0.000) 2.690 16.133 ( -3.279 3.680 0.000) 4.928 16.859 ( 9.443 2.721 0.000) 9.827 16.952 ( -2.382 -4.946 0.000) 5.490 17.354 ( -2.062 2.252 0.000) 3.053 17.723 ( 7.759 -9.959 0.000) 12.625 17.780 ( -0.628 -19.012 0.000) 19.022 18.235 ( -3.813 -2.949 0.000) 4.820 18.424 ( -0.355 7.273 0.000) 7.282 18.516 ( 11.986 -15.334 0.000) 19.463 18.890 ( 23.870 -10.316 0.000) 26.004 19.227 ( 1.365 14.434 0.000) 14.498 19.233 ( 2.594 12.681 0.000) 12.944 19.729 ( -5.388 1.263 0.000) 5.534 20.336 ( -1.313 0.946 0.000) 1.618 20.353 ( 11.291 2.317 0.000) 11.526 21.028 ( -1.378 0.324 0.000) 1.416 21.836 ( 2.963 7.820 0.000) 8.363 21.989 ( 10.633 8.606 0.000) 13.679 22.031 ( -5.624 -1.792 0.000) 5.903 22.424 ( -4.851 -3.872 0.000) 6.207 ======================= Grid point 4 (5/72) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( 18.988 -16.852 0.000) 25.388 3.413 ( 17.084 -6.089 0.000) 18.136 3.481 ( 21.014 -5.806 0.000) 21.801 3.507 ( 0.060 -16.938 0.000) 16.938 3.709 ( 7.873 -2.070 0.000) 8.140 3.735 ( -5.762 2.434 0.000) 6.255 3.790 ( 17.390 -1.303 0.000) 17.439 3.813 ( 8.367 -4.893 0.000) 9.693 4.002 ( 8.735 -32.995 0.000) 34.132 4.214 ( 31.832 -13.369 0.000) 34.526 4.326 ( 6.170 -21.126 0.000) 22.009 4.603 ( 16.676 -26.335 0.000) 31.171 4.832 ( -22.317 -2.408 0.000) 22.446 4.988 ( 13.427 -22.156 0.000) 25.907 5.170 ( -11.038 -1.411 0.000) 11.127 5.193 ( -7.473 0.014 0.000) 7.473 5.360 ( -0.548 -2.439 0.000) 2.499 5.589 ( -3.278 -0.065 0.000) 3.279 5.619 ( -12.754 -10.078 0.000) 16.255 5.745 ( 4.396 3.616 0.000) 5.692 5.933 ( 1.100 1.019 0.000) 1.500 6.198 ( 6.235 -19.452 0.000) 20.427 6.255 ( 2.769 -2.332 0.000) 3.620 6.476 ( -5.654 0.921 0.000) 5.729 6.808 ( -4.072 -0.279 0.000) 4.082 6.986 ( -2.364 0.930 0.000) 2.541 7.035 ( -4.993 1.586 0.000) 5.239 7.114 ( -3.819 2.650 0.000) 4.648 7.300 ( -10.619 2.676 0.000) 10.951 7.395 ( -14.849 14.397 0.000) 20.683 7.475 ( -4.942 9.645 0.000) 10.837 7.742 ( 1.598 29.014 0.000) 29.058 7.883 ( -1.458 5.047 0.000) 5.254 7.941 ( -7.258 -0.898 0.000) 7.313 8.115 ( 2.273 -2.170 0.000) 3.143 8.156 ( -5.653 -0.012 0.000) 5.653 8.384 ( -2.398 -7.306 0.000) 7.689 8.452 ( -5.251 13.652 0.000) 14.627 8.606 ( -5.607 7.174 0.000) 9.105 8.640 ( -6.657 4.226 0.000) 7.885 8.895 ( 10.542 -10.751 0.000) 15.057 9.376 ( 18.166 -3.641 0.000) 18.527 9.519 ( 9.851 -1.826 0.000) 10.019 9.888 ( -4.693 -0.427 0.000) 4.712 9.997 ( -4.974 3.806 0.000) 6.263 10.161 ( -7.570 7.479 0.000) 10.642 10.369 ( 3.887 -5.378 0.000) 6.635 10.754 ( 10.446 -2.208 0.000) 10.677 10.837 ( -2.887 4.356 0.000) 5.225 10.904 ( 1.557 5.774 0.000) 5.980 11.483 ( 4.538 -9.111 0.000) 10.178 11.959 ( 4.106 0.595 0.000) 4.149 12.271 ( -14.984 2.754 0.000) 15.235 12.277 ( -5.903 8.228 0.000) 10.127 12.688 ( -2.629 15.281 0.000) 15.505 13.450 ( 6.707 -0.997 0.000) 6.780 13.556 ( 7.750 -8.890 0.000) 11.793 13.749 ( -6.676 7.184 0.000) 9.807 13.882 ( -3.884 3.459 0.000) 5.201 13.977 ( -13.447 1.345 0.000) 13.514 14.255 ( -14.175 5.981 0.000) 15.386 14.277 ( -11.994 -2.520 0.000) 12.256 14.533 ( -4.052 14.289 0.000) 14.852 14.657 ( 0.287 -2.232 0.000) 2.251 14.872 ( -2.559 14.863 0.000) 15.082 14.918 ( -3.702 9.358 0.000) 10.064 15.207 ( -5.490 7.171 0.000) 9.031 15.274 ( -2.835 1.306 0.000) 3.121 15.535 ( 0.621 0.239 0.000) 0.665 16.071 ( -1.373 -1.255 0.000) 1.860 16.092 ( 2.506 1.958 0.000) 3.180 16.912 ( -7.076 0.965 0.000) 7.141 16.946 ( 8.552 2.801 0.000) 8.999 17.379 ( 3.132 -5.108 0.000) 5.992 17.895 ( -2.054 -7.191 0.000) 7.478 17.985 ( -1.370 -9.637 0.000) 9.733 18.218 ( 0.678 -3.140 0.000) 3.212 18.287 ( -2.638 4.891 0.000) 5.557 18.837 ( 9.405 -2.061 0.000) 9.628 19.014 ( 0.066 8.854 0.000) 8.855 19.025 ( 1.524 17.617 0.000) 17.683 19.317 ( 17.926 -7.087 0.000) 19.276 19.606 ( -8.907 2.132 0.000) 9.159 20.323 ( -2.564 -1.421 0.000) 2.932 20.544 ( 15.410 -0.477 0.000) 15.417 21.016 ( -2.274 -2.254 0.000) 3.202 21.769 ( 2.584 7.165 0.000) 7.617 21.964 ( -6.735 -1.187 0.000) 6.839 22.030 ( 8.479 4.879 0.000) 9.783 22.399 ( -4.917 -2.504 0.000) 5.518 ======================= Grid point 5 (6/72) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.032 ( 14.302 -13.068 0.000) 19.374 3.401 ( -9.307 9.428 0.000) 13.248 3.637 ( -0.853 -5.313 0.000) 5.381 3.731 ( 4.212 -3.413 0.000) 5.422 3.735 ( 8.534 -0.460 0.000) 8.546 3.802 ( 2.769 0.965 0.000) 2.932 4.008 ( 8.401 -2.377 0.000) 8.731 4.158 ( 21.271 -7.213 0.000) 22.460 4.458 ( -8.455 -5.655 0.000) 10.172 4.484 ( 6.314 -18.588 0.000) 19.631 4.672 ( -8.700 3.465 0.000) 9.365 4.685 ( 13.826 -8.200 0.000) 16.075 4.870 ( -7.174 -1.081 0.000) 7.255 4.942 ( -11.790 1.209 0.000) 11.852 5.136 ( 6.930 -4.315 0.000) 8.163 5.252 ( -6.000 4.392 0.000) 7.435 5.368 ( 2.995 -4.624 0.000) 5.509 5.566 ( 0.012 1.099 0.000) 1.099 5.770 ( -0.061 -13.746 0.000) 13.746 5.904 ( 6.656 -2.629 0.000) 7.157 6.054 ( 14.523 -13.895 0.000) 20.099 6.286 ( -3.389 -3.155 0.000) 4.630 6.436 ( 0.753 2.675 0.000) 2.779 6.470 ( 0.209 -10.729 0.000) 10.731 6.741 ( -1.153 3.217 0.000) 3.417 6.865 ( -20.183 15.989 0.000) 25.749 6.906 ( -1.228 4.364 0.000) 4.533 7.016 ( -1.711 -3.749 0.000) 4.121 7.054 ( -2.406 -0.644 0.000) 2.491 7.131 ( -4.164 8.648 0.000) 9.598 7.323 ( -1.062 5.048 0.000) 5.158 7.431 ( 0.795 15.625 0.000) 15.645 7.739 ( -6.576 0.436 0.000) 6.590 7.993 ( 2.167 -7.437 0.000) 7.746 8.169 ( -0.848 1.938 0.000) 2.116 8.196 ( 3.143 -2.981 0.000) 4.332 8.213 ( -0.916 7.897 0.000) 7.950 8.378 ( -3.244 1.733 0.000) 3.678 8.431 ( -5.067 4.814 0.000) 6.989 8.552 ( -2.515 -0.838 0.000) 2.651 9.229 ( 11.640 -12.538 0.000) 17.108 9.518 ( -4.811 8.981 0.000) 10.188 9.641 ( 12.289 -3.300 0.000) 12.724 9.811 ( -1.279 -0.561 0.000) 1.397 9.951 ( -8.592 5.190 0.000) 10.038 9.971 ( -0.516 -0.787 0.000) 0.942 10.461 ( 1.384 -2.098 0.000) 2.513 10.762 ( -1.691 1.485 0.000) 2.250 10.864 ( 0.966 2.558 0.000) 2.734 10.880 ( 4.060 -0.971 0.000) 4.175 11.664 ( 3.801 -6.918 0.000) 7.894 11.984 ( 0.832 1.389 0.000) 1.619 12.086 ( -6.185 1.498 0.000) 6.364 12.099 ( -3.587 5.495 0.000) 6.562 12.522 ( -0.987 5.288 0.000) 5.379 13.550 ( 3.520 -2.221 0.000) 4.162 13.600 ( -2.024 4.238 0.000) 4.697 13.720 ( 2.001 -3.220 0.000) 3.791 13.815 ( -7.644 0.277 0.000) 7.649 13.829 ( -0.265 0.262 0.000) 0.372 14.093 ( -3.912 -1.260 0.000) 4.110 14.217 ( -2.292 -0.934 0.000) 2.475 14.320 ( -2.770 8.767 0.000) 9.194 14.682 ( 1.507 2.867 0.000) 3.239 14.721 ( -1.982 0.727 0.000) 2.111 14.795 ( -1.212 3.512 0.000) 3.715 15.072 ( -2.549 3.503 0.000) 4.332 15.237 ( -1.172 0.174 0.000) 1.185 15.541 ( 0.410 0.125 0.000) 0.428 16.074 ( -0.365 -0.646 0.000) 0.742 16.121 ( 2.439 0.199 0.000) 2.447 16.799 ( -4.143 1.664 0.000) 4.465 17.005 ( 3.703 1.251 0.000) 3.908 17.525 ( 3.287 -6.657 0.000) 7.424 17.885 ( -3.723 -1.163 0.000) 3.900 17.927 ( -2.981 6.897 0.000) 7.514 18.329 ( -0.540 -8.278 0.000) 8.296 18.371 ( 5.264 -10.065 0.000) 11.358 18.659 ( -4.353 14.526 0.000) 15.165 18.820 ( 0.344 11.360 0.000) 11.365 19.195 ( 10.947 -7.027 0.000) 13.008 19.433 ( -9.940 4.268 0.000) 10.817 19.572 ( 7.890 -2.734 0.000) 8.350 20.295 ( -2.148 -0.132 0.000) 2.152 20.716 ( 7.029 -0.381 0.000) 7.039 21.023 ( -1.174 -1.755 0.000) 2.112 21.722 ( 1.121 3.043 0.000) 3.243 21.899 ( -3.488 -0.402 0.000) 3.511 22.072 ( 3.613 1.624 0.000) 3.961 22.369 ( -2.447 -0.914 0.000) 2.612 ======================= Grid point 12 (7/72) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 23.856 -0.000 0.000) 23.856 1.063 ( 37.580 -0.000 0.000) 37.580 2.180 ( 3.178 -0.000 0.000) 3.178 2.192 ( 76.633 -0.000 0.000) 76.633 2.246 ( 2.207 -0.000 0.000) 2.207 2.616 ( 23.381 -0.000 0.000) 23.381 2.623 ( 20.119 -0.000 0.000) 20.119 3.267 ( -2.411 0.000 0.000) 2.411 3.324 ( -3.390 0.000 0.000) 3.390 3.606 ( 3.570 -0.000 0.000) 3.570 3.610 ( 9.010 -0.000 0.000) 9.010 3.841 ( 17.858 -0.000 0.000) 17.858 4.163 ( -2.519 0.000 0.000) 2.519 4.762 ( 6.994 -0.000 0.000) 6.994 4.856 ( 5.243 -0.000 0.000) 5.243 5.109 ( 9.482 -0.000 0.000) 9.482 5.187 ( 20.114 -0.000 0.000) 20.114 5.590 ( -22.143 0.000 0.000) 22.143 5.709 ( 0.307 -0.000 0.000) 0.307 5.896 ( 1.697 -0.000 0.000) 1.697 6.054 ( -27.641 0.000 0.000) 27.641 6.297 ( -17.304 0.000 0.000) 17.304 6.499 ( 4.500 -0.000 0.000) 4.500 6.671 ( 0.411 -0.000 0.000) 0.411 6.726 ( -7.557 0.000 0.000) 7.557 6.730 ( -9.367 0.000 0.000) 9.367 7.101 ( 25.910 -0.000 0.000) 25.910 7.101 ( -4.984 0.000 0.000) 4.984 7.484 ( 0.595 -0.000 0.000) 0.595 7.527 ( -0.112 0.000 0.000) 0.112 7.692 ( -1.388 0.000 0.000) 1.388 8.024 ( -5.227 0.000 0.000) 5.227 8.031 ( -4.342 0.000 0.000) 4.342 8.150 ( -5.410 0.000 0.000) 5.410 8.151 ( -1.492 0.000 0.000) 1.492 8.446 ( -0.174 0.000 0.000) 0.174 8.787 ( 14.289 -0.000 0.000) 14.289 8.837 ( -1.778 0.000 0.000) 1.778 8.847 ( 7.997 -0.000 0.000) 7.997 9.015 ( -11.564 0.000 0.000) 11.564 9.024 ( -5.874 0.000 0.000) 5.874 9.041 ( -7.273 0.000 0.000) 7.273 9.408 ( -2.025 0.000 0.000) 2.025 9.693 ( 1.144 -0.000 0.000) 1.144 9.806 ( 11.377 -0.000 0.000) 11.377 10.305 ( 12.468 -0.000 0.000) 12.468 10.518 ( -6.082 0.000 0.000) 6.082 10.691 ( -5.199 0.000 0.000) 5.199 11.103 ( -2.880 0.000 0.000) 2.880 11.148 ( 0.924 -0.000 0.000) 0.924 11.234 ( -4.883 0.000 0.000) 4.883 11.833 ( 5.748 -0.000 0.000) 5.748 12.586 ( 1.403 -0.000 0.000) 1.403 12.671 ( -5.962 0.000 0.000) 5.962 13.064 ( 2.865 -0.000 0.000) 2.865 13.178 ( 7.244 -0.000 0.000) 7.244 13.932 ( 3.617 -0.000 0.000) 3.617 14.142 ( -0.985 0.000 0.000) 0.985 14.202 ( -7.105 0.000 0.000) 7.105 14.436 ( -32.157 0.000 0.000) 32.157 14.536 ( -2.418 0.000 0.000) 2.418 15.237 ( -37.587 0.000 0.000) 37.587 15.294 ( -16.104 0.000 0.000) 16.104 15.297 ( -17.726 0.000 0.000) 17.726 15.425 ( 3.328 -0.000 0.000) 3.328 15.508 ( -19.484 0.000 0.000) 19.484 15.954 ( -10.767 0.000 0.000) 10.767 16.109 ( -22.671 0.000 0.000) 22.671 16.136 ( 1.393 -0.000 0.000) 1.393 16.286 ( -10.028 0.000 0.000) 10.028 16.371 ( 1.787 -0.000 0.000) 1.787 16.677 ( -0.628 0.000 0.000) 0.628 16.809 ( -0.480 0.000 0.000) 0.480 16.936 ( -4.759 0.000 0.000) 4.759 17.086 ( 2.101 -0.000 0.000) 2.101 17.446 ( -6.305 0.000 0.000) 6.305 17.833 ( 9.406 -0.000 0.000) 9.406 17.897 ( 31.927 -0.000 0.000) 31.927 18.107 ( 31.954 -0.000 0.000) 31.954 18.417 ( 26.141 -0.000 0.000) 26.141 19.366 ( 3.333 -0.000 0.000) 3.333 19.403 ( 5.749 -0.000 0.000) 5.749 19.845 ( -0.577 0.000 0.000) 0.577 20.478 ( -3.658 0.000 0.000) 3.658 20.546 ( -7.703 0.000 0.000) 7.703 21.088 ( 0.585 -0.000 0.000) 0.585 22.023 ( 2.066 -0.000 0.000) 2.066 22.042 ( -2.404 0.000 0.000) 2.404 22.067 ( -1.259 0.000 0.000) 1.259 22.504 ( 4.810 -0.000 0.000) 4.810 ======================= Grid point 13 (8/72) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.470 ( 15.391 -59.311 0.000) 61.276 1.625 ( 32.887 -9.613 0.000) 34.263 2.455 ( 4.793 -29.321 0.000) 29.710 2.460 ( 3.386 -24.265 0.000) 24.500 2.969 ( 25.110 -5.434 0.000) 25.692 2.969 ( 26.301 -2.333 0.000) 26.405 3.195 ( 63.579 -1.842 0.000) 63.606 3.318 ( -0.740 -12.368 0.000) 12.390 3.329 ( -4.375 -8.580 0.000) 9.631 3.664 ( 5.678 0.336 0.000) 5.688 3.758 ( 14.772 0.596 0.000) 14.784 4.095 ( -4.251 3.131 0.000) 5.279 4.172 ( 22.459 -6.752 0.000) 23.452 4.902 ( 10.453 -3.363 0.000) 10.981 4.951 ( 6.498 -1.119 0.000) 6.594 5.106 ( -20.407 -2.245 0.000) 20.530 5.441 ( 2.590 -1.234 0.000) 2.869 5.460 ( 7.490 -4.570 0.000) 8.774 5.706 ( 0.253 1.033 0.000) 1.064 5.743 ( -6.494 -0.803 0.000) 6.544 5.922 ( 2.195 0.520 0.000) 2.256 5.996 ( -24.321 1.818 0.000) 24.389 6.477 ( -7.977 8.942 0.000) 11.983 6.600 ( -8.661 0.142 0.000) 8.663 6.615 ( 0.975 -6.430 0.000) 6.504 6.827 ( -0.989 -12.815 0.000) 12.853 7.026 ( -4.909 0.272 0.000) 4.917 7.295 ( 10.054 8.423 0.000) 13.116 7.446 ( -11.078 -0.223 0.000) 11.080 7.656 ( 5.714 -15.465 0.000) 16.487 7.672 ( -4.449 -0.633 0.000) 4.494 7.924 ( -6.384 4.428 0.000) 7.769 7.966 ( -4.600 -1.220 0.000) 4.759 8.084 ( -4.633 -1.240 0.000) 4.796 8.157 ( 2.843 1.294 0.000) 3.124 8.388 ( -0.947 6.900 0.000) 6.964 8.677 ( -18.342 0.077 0.000) 18.342 8.735 ( -2.817 9.903 0.000) 10.296 8.911 ( -9.343 2.200 0.000) 9.598 8.913 ( -7.963 2.137 0.000) 8.245 9.026 ( 17.030 -1.129 0.000) 17.067 9.121 ( 14.329 0.342 0.000) 14.333 9.300 ( -1.806 7.577 0.000) 7.790 9.737 ( 0.702 -3.808 0.000) 3.872 9.986 ( 10.824 -3.663 0.000) 11.427 10.389 ( -7.953 4.550 0.000) 9.163 10.497 ( 13.570 -1.292 0.000) 13.631 10.586 ( -6.115 3.924 0.000) 7.265 11.046 ( -3.291 2.239 0.000) 3.980 11.139 ( -3.897 2.974 0.000) 4.902 11.188 ( 2.748 -2.393 0.000) 3.644 11.917 ( 6.907 0.561 0.000) 6.930 12.549 ( -8.418 3.009 0.000) 8.940 12.585 ( 0.862 3.392 0.000) 3.500 13.140 ( 4.556 -4.329 0.000) 6.284 13.290 ( 7.678 0.287 0.000) 7.683 13.746 ( -11.635 21.825 0.000) 24.733 14.025 ( 2.208 2.119 0.000) 3.060 14.078 ( -9.726 0.760 0.000) 9.756 14.229 ( -17.330 -6.591 0.000) 18.541 14.514 ( -2.270 -1.008 0.000) 2.483 14.569 ( -44.838 1.559 0.000) 44.865 14.889 ( -31.402 2.975 0.000) 31.542 15.144 ( -12.234 -1.831 0.000) 12.371 15.291 ( -6.570 8.443 0.000) 10.698 15.474 ( 2.085 1.142 0.000) 2.378 15.732 ( -11.633 10.101 0.000) 15.406 15.811 ( -3.875 15.231 0.000) 15.716 15.861 ( -0.778 24.812 0.000) 24.824 16.190 ( 0.237 8.607 0.000) 8.611 16.325 ( 0.478 9.992 0.000) 10.003 16.741 ( -5.095 -4.677 0.000) 6.916 16.753 ( -0.022 -10.115 0.000) 10.115 17.120 ( -5.468 -25.241 0.000) 25.827 17.246 ( -2.524 -19.733 0.000) 19.894 17.350 ( -9.625 -1.785 0.000) 9.789 17.960 ( -5.008 -10.032 0.000) 11.212 18.346 ( 31.616 -0.785 0.000) 31.625 18.443 ( 9.224 -1.694 0.000) 9.378 18.801 ( 32.729 0.301 0.000) 32.730 19.408 ( 3.685 1.705 0.000) 4.060 19.417 ( -4.649 1.731 0.000) 4.961 19.827 ( 2.028 3.491 0.000) 4.037 20.398 ( -9.607 1.874 0.000) 9.788 20.469 ( 8.405 3.460 0.000) 9.090 21.076 ( -0.845 1.760 0.000) 1.953 21.999 ( -4.412 -0.343 0.000) 4.425 22.027 ( 2.016 1.841 0.000) 2.730 22.077 ( 0.810 0.007 0.000) 0.810 22.494 ( 3.834 8.007 0.000) 8.877 ======================= Grid point 14 (9/72) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 26.889 -12.077 0.000) 29.477 2.470 ( 10.367 -57.649 0.000) 58.574 2.937 ( 4.521 -35.595 0.000) 35.881 2.997 ( 8.176 -32.475 0.000) 33.489 3.374 ( 24.867 -4.675 0.000) 25.302 3.431 ( 21.527 -10.058 0.000) 23.761 3.449 ( -1.905 -19.227 0.000) 19.321 3.525 ( -0.573 -24.447 0.000) 24.454 3.767 ( 8.224 -2.590 0.000) 8.622 3.790 ( 17.071 0.559 0.000) 17.080 3.973 ( -3.616 5.659 0.000) 6.715 4.221 ( 50.205 -3.502 0.000) 50.327 4.596 ( 22.663 -8.920 0.000) 24.355 4.768 ( -24.388 -1.314 0.000) 24.423 5.100 ( 7.325 -2.536 0.000) 7.752 5.117 ( 7.130 -4.048 0.000) 8.199 5.234 ( -15.437 -2.750 0.000) 15.680 5.556 ( -23.351 3.218 0.000) 23.572 5.671 ( 1.761 1.543 0.000) 2.341 5.781 ( 5.067 -10.209 0.000) 11.397 5.858 ( 4.130 3.040 0.000) 5.129 5.981 ( 7.653 0.111 0.000) 7.653 6.284 ( -0.891 5.532 0.000) 5.603 6.474 ( -8.430 -0.505 0.000) 8.446 6.709 ( -0.785 -5.616 0.000) 5.671 6.960 ( -1.885 -7.122 0.000) 7.367 6.969 ( -3.725 -0.829 0.000) 3.816 7.253 ( 0.706 7.359 0.000) 7.393 7.268 ( -17.867 -4.019 0.000) 18.314 7.574 ( -6.265 3.689 0.000) 7.270 7.719 ( -6.510 7.490 0.000) 9.924 7.887 ( -15.419 -3.440 0.000) 15.798 7.935 ( 0.162 -12.999 0.000) 13.000 8.068 ( -2.012 -3.501 0.000) 4.038 8.102 ( -6.800 2.334 0.000) 7.189 8.222 ( -4.016 9.947 0.000) 10.727 8.509 ( -2.854 16.489 0.000) 16.734 8.596 ( 4.343 -1.883 0.000) 4.734 8.752 ( -6.361 1.569 0.000) 6.551 8.756 ( -9.186 3.398 0.000) 9.794 9.016 ( -3.405 15.770 0.000) 16.133 9.318 ( 21.826 -1.262 0.000) 21.863 9.420 ( 12.791 -4.002 0.000) 13.403 9.799 ( -0.200 -4.357 0.000) 4.362 10.182 ( 8.256 -5.071 0.000) 9.689 10.191 ( -8.620 7.406 0.000) 11.364 10.419 ( -6.450 7.538 0.000) 9.921 10.694 ( 11.284 -2.042 0.000) 11.468 10.953 ( -3.647 4.443 0.000) 5.748 11.058 ( -2.429 2.721 0.000) 3.647 11.292 ( 5.335 -4.759 0.000) 7.150 11.996 ( 6.551 1.636 0.000) 6.753 12.356 ( -12.164 4.422 0.000) 12.943 12.506 ( -1.086 7.916 0.000) 7.990 13.216 ( -6.518 18.718 0.000) 19.821 13.305 ( 6.125 -8.601 0.000) 10.558 13.468 ( 4.943 2.752 0.000) 5.658 13.917 ( -15.672 4.859 0.000) 16.408 13.935 ( -9.135 0.717 0.000) 9.163 14.040 ( -12.809 2.310 0.000) 13.015 14.192 ( -8.456 -3.148 0.000) 9.023 14.375 ( -22.207 2.529 0.000) 22.350 14.585 ( -4.754 -1.770 0.000) 5.073 14.997 ( -12.878 -1.473 0.000) 12.962 15.040 ( -5.366 15.993 0.000) 16.869 15.339 ( -7.345 15.908 0.000) 17.522 15.476 ( -4.363 12.072 0.000) 12.836 15.576 ( 1.236 16.251 0.000) 16.298 15.608 ( 2.468 8.615 0.000) 8.962 16.104 ( 1.587 5.237 0.000) 5.472 16.207 ( 1.357 7.532 0.000) 7.654 16.766 ( -8.031 -9.723 0.000) 12.611 16.894 ( 1.083 -8.201 0.000) 8.272 17.244 ( -10.332 -4.385 0.000) 11.224 17.400 ( -6.226 -26.601 0.000) 27.320 17.479 ( -5.576 -21.164 0.000) 21.886 17.951 ( -16.559 -11.935 0.000) 20.412 18.431 ( -6.762 3.090 0.000) 7.434 18.757 ( 26.782 -0.383 0.000) 26.785 19.218 ( -18.680 2.017 0.000) 18.788 19.230 ( 26.284 0.345 0.000) 26.286 19.375 ( -0.257 6.506 0.000) 6.511 19.790 ( 3.978 8.850 0.000) 9.703 20.302 ( -1.630 -0.700 0.000) 1.774 20.628 ( 20.604 4.219 0.000) 21.032 21.023 ( -2.309 2.377 0.000) 3.314 21.929 ( -6.742 -0.698 0.000) 6.778 22.007 ( 4.214 8.258 0.000) 9.271 22.097 ( -0.761 -3.634 0.000) 3.713 22.417 ( 0.640 7.492 0.000) 7.519 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( 20.927 -11.913 0.000) 24.081 3.178 ( 2.203 -30.620 0.000) 30.699 3.409 ( 1.906 -16.696 0.000) 16.805 3.534 ( 7.225 -39.245 0.000) 39.905 3.636 ( -3.569 2.971 0.000) 4.644 3.718 ( 12.552 -5.430 0.000) 13.676 3.784 ( 7.677 -13.282 0.000) 15.341 3.888 ( 4.928 -10.054 0.000) 11.197 3.944 ( 8.509 -8.047 0.000) 11.711 4.016 ( 6.923 -33.054 0.000) 33.772 4.115 ( 14.386 -15.042 0.000) 20.813 4.551 ( -8.798 -5.741 0.000) 10.505 4.792 ( 14.865 -1.805 0.000) 14.974 4.984 ( 14.737 -7.248 0.000) 16.423 5.051 ( -23.274 5.588 0.000) 23.935 5.061 ( 9.572 -2.176 0.000) 9.816 5.312 ( -0.496 -7.852 0.000) 7.868 5.378 ( 4.678 -2.998 0.000) 5.556 5.646 ( 0.665 3.240 0.000) 3.308 5.815 ( 2.184 0.524 0.000) 2.246 5.981 ( 1.732 3.636 0.000) 4.027 6.064 ( 7.409 -13.563 0.000) 15.454 6.284 ( -1.997 0.803 0.000) 2.153 6.436 ( 1.820 -0.700 0.000) 1.950 6.732 ( -4.906 -2.131 0.000) 5.349 6.951 ( -1.308 -1.558 0.000) 2.034 6.952 ( -6.938 -2.157 0.000) 7.265 7.059 ( -18.889 -0.490 0.000) 18.895 7.123 ( -4.766 7.104 0.000) 8.555 7.421 ( -5.222 6.302 0.000) 8.184 7.518 ( -6.081 8.094 0.000) 10.124 7.678 ( -14.155 -4.890 0.000) 14.976 8.010 ( -3.322 4.180 0.000) 5.340 8.021 ( 1.260 6.699 0.000) 6.816 8.106 ( 1.025 -1.133 0.000) 1.528 8.108 ( -0.203 0.029 0.000) 0.206 8.304 ( -0.230 2.954 0.000) 2.963 8.496 ( -9.198 5.638 0.000) 10.789 8.582 ( -9.231 3.104 0.000) 9.739 8.723 ( -4.199 16.424 0.000) 16.952 8.933 ( 14.070 -8.499 0.000) 16.438 9.613 ( 19.182 0.163 0.000) 19.183 9.621 ( 9.256 -1.759 0.000) 9.422 9.830 ( -2.539 -0.817 0.000) 2.668 9.984 ( -5.972 5.190 0.000) 7.912 10.185 ( -6.521 10.300 0.000) 12.191 10.358 ( 4.419 -4.483 0.000) 6.295 10.835 ( -3.708 4.974 0.000) 6.204 10.845 ( 6.606 -1.629 0.000) 6.804 10.995 ( -0.966 3.374 0.000) 3.510 11.460 ( 7.892 -6.500 0.000) 10.224 12.043 ( 4.582 2.887 0.000) 5.416 12.139 ( -9.383 3.661 0.000) 10.072 12.349 ( -2.830 10.758 0.000) 11.124 12.878 ( -3.748 18.130 0.000) 18.514 13.516 ( 5.306 -9.756 0.000) 11.106 13.518 ( -0.491 -0.078 0.000) 0.497 13.700 ( -3.784 1.375 0.000) 4.026 13.827 ( -6.096 -0.583 0.000) 6.124 13.851 ( -8.152 3.641 0.000) 8.928 14.077 ( -15.523 0.120 0.000) 15.523 14.202 ( 2.803 -0.077 0.000) 2.804 14.592 ( -1.156 -0.453 0.000) 1.242 14.753 ( -2.840 14.458 0.000) 14.734 14.838 ( -11.825 -0.440 0.000) 11.833 15.005 ( -8.209 14.976 0.000) 17.078 15.252 ( -4.056 10.729 0.000) 11.470 15.419 ( 4.613 12.303 0.000) 13.139 15.591 ( 3.299 3.182 0.000) 4.583 16.085 ( 2.658 2.190 0.000) 3.444 16.160 ( 1.740 3.101 0.000) 3.556 16.737 ( -12.513 -6.554 0.000) 14.125 16.981 ( -1.563 -4.169 0.000) 4.452 17.232 ( -6.547 -11.720 0.000) 13.425 17.630 ( -10.919 -16.150 0.000) 19.495 17.670 ( -6.285 -25.141 0.000) 25.915 17.921 ( -15.348 -19.399 0.000) 24.737 18.229 ( -13.912 4.219 0.000) 14.538 18.853 ( -22.448 1.340 0.000) 22.488 19.131 ( 20.408 0.315 0.000) 20.410 19.142 ( -11.548 8.722 0.000) 14.472 19.559 ( 17.752 1.550 0.000) 17.819 19.693 ( 3.192 12.384 0.000) 12.788 20.355 ( 8.069 1.688 0.000) 8.243 20.837 ( 18.427 7.032 0.000) 19.723 20.971 ( -1.734 0.065 0.000) 1.736 21.854 ( -5.899 -2.050 0.000) 6.245 21.923 ( 1.957 9.820 0.000) 10.013 22.148 ( 1.877 -1.795 0.000) 2.597 22.318 ( -3.967 2.937 0.000) 4.936 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.074 ( 14.870 -10.097 0.000) 17.974 3.407 ( -9.757 10.194 0.000) 14.111 3.481 ( -0.315 -15.837 0.000) 15.840 3.617 ( -1.566 -12.934 0.000) 13.029 3.734 ( -7.846 -0.540 0.000) 7.865 3.763 ( -10.892 0.005 0.000) 10.892 4.057 ( -0.203 0.962 0.000) 0.983 4.187 ( 5.512 -35.066 0.000) 35.497 4.277 ( -9.613 0.334 0.000) 9.619 4.349 ( 17.929 -15.785 0.000) 23.887 4.607 ( 7.521 -26.934 0.000) 27.965 4.657 ( 1.468 4.212 0.000) 4.461 4.810 ( -3.369 1.670 0.000) 3.760 4.829 ( 7.423 -11.621 0.000) 13.790 5.149 ( -4.882 -1.221 0.000) 5.032 5.254 ( 9.034 -0.811 0.000) 9.070 5.377 ( 2.664 -0.052 0.000) 2.665 5.516 ( 1.585 -20.054 0.000) 20.117 5.613 ( 1.007 2.807 0.000) 2.982 5.964 ( 2.589 0.453 0.000) 2.629 6.040 ( 9.717 -10.538 0.000) 14.334 6.225 ( -3.922 0.929 0.000) 4.031 6.301 ( 1.878 -10.215 0.000) 10.386 6.438 ( -3.251 0.908 0.000) 3.376 6.531 ( -20.972 1.279 0.000) 21.011 6.852 ( 1.154 1.432 0.000) 1.839 6.919 ( -4.368 4.659 0.000) 6.386 6.968 ( -2.492 -4.317 0.000) 4.984 7.018 ( 0.256 -2.232 0.000) 2.246 7.277 ( 2.654 10.916 0.000) 11.233 7.353 ( -3.981 5.423 0.000) 6.727 7.710 ( 5.666 -4.214 0.000) 7.061 7.742 ( -2.147 21.977 0.000) 22.081 7.992 ( 4.019 0.360 0.000) 4.035 8.169 ( 2.602 -3.803 0.000) 4.608 8.181 ( 2.421 -4.104 0.000) 4.765 8.282 ( -8.877 7.121 0.000) 11.380 8.328 ( -3.697 -1.878 0.000) 4.147 8.461 ( -4.037 10.951 0.000) 11.671 8.480 ( -2.637 -4.160 0.000) 4.925 9.249 ( 12.087 -9.278 0.000) 15.238 9.582 ( -6.036 11.895 0.000) 13.339 9.799 ( 7.877 5.410 0.000) 9.556 9.808 ( 2.617 -0.923 0.000) 2.775 9.955 ( 0.815 -1.834 0.000) 2.006 9.957 ( -2.598 7.336 0.000) 7.782 10.454 ( 2.010 -2.408 0.000) 3.136 10.735 ( -3.211 2.188 0.000) 3.886 10.900 ( -0.485 0.329 0.000) 0.586 10.937 ( 0.278 4.252 0.000) 4.261 11.668 ( 9.128 -5.554 0.000) 10.684 12.033 ( 0.672 4.416 0.000) 4.467 12.047 ( 0.489 0.157 0.000) 0.513 12.162 ( -2.310 9.413 0.000) 9.692 12.636 ( -0.872 12.198 0.000) 12.229 13.479 ( -4.388 -3.372 0.000) 5.534 13.666 ( -0.519 -5.844 0.000) 5.867 13.681 ( -0.472 6.351 0.000) 6.369 13.797 ( 6.898 -1.308 0.000) 7.021 13.797 ( -1.369 -2.442 0.000) 2.800 13.987 ( -3.229 -5.982 0.000) 6.798 14.248 ( 5.299 1.301 0.000) 5.456 14.428 ( -4.401 11.645 0.000) 12.449 14.704 ( 0.154 -0.341 0.000) 0.374 14.708 ( -8.971 -2.172 0.000) 9.230 14.749 ( -3.297 7.604 0.000) 8.288 15.089 ( -2.977 5.410 0.000) 6.175 15.361 ( 6.916 8.276 0.000) 10.785 15.588 ( 2.673 3.271 0.000) 4.224 16.105 ( 3.572 1.680 0.000) 3.947 16.136 ( -2.341 1.327 0.000) 2.691 16.668 ( -9.018 -7.840 0.000) 11.950 16.944 ( -10.791 -3.039 0.000) 11.211 17.361 ( -3.712 -15.797 0.000) 16.227 17.680 ( -9.231 -14.884 0.000) 17.514 17.840 ( -10.603 -6.673 0.000) 12.529 18.045 ( -12.261 -14.886 0.000) 19.285 18.069 ( -8.977 -24.490 0.000) 26.083 18.499 ( -26.818 -0.593 0.000) 26.825 18.844 ( -15.541 6.481 0.000) 16.838 19.394 ( 17.889 1.850 0.000) 17.984 19.548 ( 3.266 14.213 0.000) 14.584 19.681 ( 5.936 4.535 0.000) 7.470 20.424 ( 10.725 7.596 0.000) 13.143 20.883 ( 5.293 10.481 0.000) 11.742 20.994 ( 1.828 -3.036 0.000) 3.544 21.805 ( -0.685 8.182 0.000) 8.210 21.855 ( 1.119 -3.350 0.000) 3.532 22.131 ( -2.250 5.272 0.000) 5.732 22.292 ( -1.582 -5.933 0.000) 6.140 ======================= Grid point 17 (12/72) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.041 ( -12.234 14.749 0.000) 19.162 3.404 ( 6.911 -6.785 0.000) 9.684 3.554 ( -17.537 0.562 0.000) 17.546 3.585 ( -13.104 -2.312 0.000) 13.307 3.636 ( 0.372 -6.880 0.000) 6.890 3.723 ( -5.630 -4.502 0.000) 7.209 3.872 ( -19.029 4.225 0.000) 19.493 3.953 ( -19.338 2.723 0.000) 19.529 4.400 ( -34.559 7.697 0.000) 35.406 4.577 ( -2.203 -6.553 0.000) 6.914 4.616 ( 3.372 1.483 0.000) 3.684 4.844 ( 23.238 -0.980 0.000) 23.258 4.924 ( 2.586 -3.047 0.000) 3.996 5.115 ( 18.228 -3.125 0.000) 18.494 5.191 ( 10.408 -3.129 0.000) 10.868 5.305 ( 3.460 5.600 0.000) 6.583 5.433 ( 5.961 1.824 0.000) 6.234 5.585 ( 1.293 2.345 0.000) 2.677 5.842 ( 4.430 -12.255 0.000) 13.031 5.874 ( -9.541 8.880 0.000) 13.034 6.033 ( -7.069 6.793 0.000) 9.804 6.287 ( -8.547 -1.422 0.000) 8.665 6.384 ( 6.451 -13.007 0.000) 14.519 6.405 ( -3.269 -10.988 0.000) 11.464 6.549 ( 4.511 -15.614 0.000) 16.252 6.832 ( -3.470 -0.909 0.000) 3.587 6.886 ( 1.961 -1.792 0.000) 2.656 7.039 ( 3.311 -4.426 0.000) 5.528 7.096 ( 4.532 -1.655 0.000) 4.825 7.273 ( -2.103 0.630 0.000) 2.195 7.279 ( 14.221 4.470 0.000) 14.907 7.460 ( 0.357 13.291 0.000) 13.296 7.824 ( 4.789 -0.053 0.000) 4.789 8.072 ( -5.172 6.085 0.000) 7.986 8.132 ( 1.538 -5.548 0.000) 5.757 8.166 ( -5.925 1.525 0.000) 6.119 8.208 ( 6.289 0.615 0.000) 6.319 8.371 ( 3.761 -5.981 0.000) 7.065 8.434 ( 6.336 -5.318 0.000) 8.272 8.563 ( 2.621 -4.483 0.000) 5.193 9.279 ( -9.622 15.255 0.000) 18.036 9.455 ( 0.363 -5.525 0.000) 5.537 9.581 ( -11.120 12.213 0.000) 16.517 9.863 ( 6.073 0.163 0.000) 6.075 9.989 ( 1.510 -0.150 0.000) 1.517 10.031 ( 9.046 -1.377 0.000) 9.151 10.472 ( -0.506 1.391 0.000) 1.480 10.693 ( -3.856 -2.774 0.000) 4.750 10.817 ( -8.452 2.490 0.000) 8.811 10.901 ( 2.753 3.289 0.000) 4.289 11.750 ( 0.905 8.274 0.000) 8.324 11.975 ( -0.574 1.586 0.000) 1.686 12.112 ( 5.165 -1.427 0.000) 5.359 12.147 ( 9.209 -4.258 0.000) 10.146 12.541 ( 3.039 3.528 0.000) 4.656 13.496 ( -1.958 -1.266 0.000) 2.332 13.603 ( 0.404 0.627 0.000) 0.746 13.689 ( -3.936 -1.816 0.000) 4.335 13.798 ( -2.974 -0.772 0.000) 3.072 13.954 ( 12.216 -0.806 0.000) 12.242 14.089 ( 2.430 -7.144 0.000) 7.546 14.321 ( 4.366 0.218 0.000) 4.372 14.324 ( 9.073 1.106 0.000) 9.140 14.612 ( -4.424 -1.143 0.000) 4.569 14.672 ( -4.418 -6.493 0.000) 7.853 14.757 ( 2.022 1.772 0.000) 2.689 15.056 ( 1.622 -2.738 0.000) 3.183 15.370 ( 8.478 6.132 0.000) 10.463 15.577 ( 2.486 3.182 0.000) 4.038 16.060 ( -6.414 -0.697 0.000) 6.452 16.127 ( 3.624 2.468 0.000) 4.385 16.738 ( -0.430 -10.954 0.000) 10.963 16.807 ( -17.372 -6.578 0.000) 18.576 17.453 ( -9.574 -3.176 0.000) 10.087 17.738 ( -9.328 -14.097 0.000) 16.904 17.807 ( -1.828 -13.756 0.000) 13.877 18.155 ( -26.880 -3.760 0.000) 27.141 18.208 ( -7.233 -16.870 0.000) 18.355 18.316 ( -6.516 -26.491 0.000) 27.281 18.590 ( -15.601 -4.464 0.000) 16.227 19.330 ( 1.216 17.409 0.000) 17.452 19.602 ( -1.301 11.189 0.000) 11.265 19.626 ( 15.230 2.185 0.000) 15.386 20.445 ( 7.940 7.980 0.000) 11.257 20.720 ( -5.527 11.632 0.000) 12.878 21.069 ( 4.139 -0.434 0.000) 4.162 21.701 ( -2.300 3.306 0.000) 4.027 21.953 ( 6.062 -2.410 0.000) 6.524 21.999 ( -7.942 2.781 0.000) 8.415 22.378 ( 2.577 -4.533 0.000) 5.214 ======================= Grid point 18 (13/72) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( -14.326 19.908 0.000) 24.527 3.213 ( -23.375 6.297 0.000) 24.208 3.220 ( -25.735 5.084 0.000) 26.232 3.443 ( -44.147 5.326 0.000) 44.467 3.565 ( -10.901 -1.393 0.000) 10.990 3.673 ( -3.722 1.758 0.000) 4.117 3.702 ( 5.112 -8.997 0.000) 10.347 3.761 ( -23.685 6.337 0.000) 24.518 3.863 ( 0.209 1.814 0.000) 1.826 4.376 ( -4.504 25.137 0.000) 25.538 4.469 ( -6.264 14.063 0.000) 15.395 4.828 ( -2.162 18.090 0.000) 18.219 5.191 ( -4.201 19.200 0.000) 19.655 5.195 ( 25.663 0.886 0.000) 25.679 5.220 ( -7.756 11.549 0.000) 13.912 5.320 ( 8.633 4.101 0.000) 9.557 5.491 ( 6.545 -3.827 0.000) 7.582 5.583 ( 1.187 0.358 0.000) 1.240 5.725 ( 10.944 2.643 0.000) 11.259 5.885 ( -7.304 4.035 0.000) 8.344 5.955 ( 13.712 4.059 0.000) 14.300 6.285 ( 4.622 -4.672 0.000) 6.572 6.381 ( -4.784 14.964 0.000) 15.711 6.551 ( 8.648 -1.214 0.000) 8.733 6.829 ( 4.095 -6.028 0.000) 7.287 6.941 ( 1.502 -14.159 0.000) 14.239 7.009 ( 2.233 -11.551 0.000) 11.764 7.146 ( 2.675 -0.101 0.000) 2.677 7.254 ( 8.598 -15.184 0.000) 17.449 7.287 ( -4.013 -13.562 0.000) 14.143 7.433 ( 6.439 -4.292 0.000) 7.739 7.476 ( 4.247 -7.774 0.000) 8.859 7.839 ( -1.510 -1.040 0.000) 1.834 7.976 ( -2.732 0.397 0.000) 2.761 8.076 ( -5.223 -0.543 0.000) 5.251 8.161 ( 1.502 -4.889 0.000) 5.115 8.437 ( 10.083 -8.357 0.000) 13.096 8.498 ( 5.726 -0.374 0.000) 5.739 8.652 ( 11.940 -3.389 0.000) 12.411 8.656 ( 3.981 -3.686 0.000) 5.425 8.936 ( -8.035 13.717 0.000) 15.897 9.242 ( -14.762 10.829 0.000) 18.308 9.387 ( -12.648 0.800 0.000) 12.674 9.967 ( 3.862 2.109 0.000) 4.400 10.023 ( 6.487 -3.125 0.000) 7.200 10.176 ( 5.684 -4.033 0.000) 6.969 10.395 ( -3.428 5.479 0.000) 6.463 10.630 ( -12.111 2.731 0.000) 12.415 10.693 ( -6.053 -6.777 0.000) 9.086 10.933 ( 5.463 0.609 0.000) 5.497 11.576 ( -2.790 11.462 0.000) 11.797 11.921 ( -2.863 2.346 0.000) 3.701 12.290 ( 9.771 -5.540 0.000) 11.232 12.384 ( 10.464 -10.127 0.000) 14.562 12.615 ( 8.093 -1.959 0.000) 8.327 13.414 ( -3.602 4.446 0.000) 5.722 13.539 ( -10.577 6.773 0.000) 12.560 13.693 ( 1.452 -7.562 0.000) 7.700 13.828 ( -0.085 -7.525 0.000) 7.526 14.127 ( 9.993 -1.604 0.000) 10.121 14.241 ( 2.696 -9.110 0.000) 9.500 14.496 ( 13.769 -4.582 0.000) 14.512 14.511 ( 11.968 -8.016 0.000) 14.404 14.645 ( -1.367 -8.742 0.000) 8.848 14.743 ( 0.040 -0.226 0.000) 0.229 14.778 ( 4.976 -9.045 0.000) 10.324 15.179 ( 4.432 -7.402 0.000) 8.628 15.415 ( 8.998 5.107 0.000) 10.346 15.582 ( 4.948 2.706 0.000) 5.639 16.037 ( -0.184 -4.218 0.000) 4.222 16.140 ( 3.761 2.678 0.000) 4.617 16.678 ( -17.198 -9.484 0.000) 19.639 16.905 ( 2.192 -9.170 0.000) 9.428 17.273 ( -14.739 -1.738 0.000) 14.841 17.789 ( -22.820 -2.273 0.000) 22.933 17.929 ( -1.791 -17.722 0.000) 17.812 18.057 ( -1.464 -15.275 0.000) 15.345 18.146 ( -13.469 -0.911 0.000) 13.499 18.607 ( -3.822 -25.602 0.000) 25.886 18.667 ( -7.130 -24.293 0.000) 25.318 19.082 ( -0.221 19.677 0.000) 19.678 19.363 ( -3.600 18.162 0.000) 18.515 19.769 ( 10.110 3.005 0.000) 10.547 20.415 ( 1.776 6.708 0.000) 6.940 20.464 ( -7.976 10.457 0.000) 13.152 21.090 ( 2.519 3.833 0.000) 4.587 21.674 ( -1.223 -3.018 0.000) 3.256 21.853 ( -10.763 -0.370 0.000) 10.769 22.059 ( 6.096 -0.465 0.000) 6.114 22.471 ( 4.358 -1.883 0.000) 4.747 ======================= Grid point 19 (14/72) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( -14.693 25.214 0.000) 29.182 2.534 ( -64.040 10.606 0.000) 64.913 2.782 ( -24.834 5.921 0.000) 25.531 2.804 ( -21.134 6.544 0.000) 22.124 3.493 ( -5.354 -3.331 0.000) 6.305 3.519 ( -10.416 -2.035 0.000) 10.612 3.570 ( 3.004 20.759 0.000) 20.975 3.722 ( -3.289 11.643 0.000) 12.099 3.876 ( -5.236 36.262 0.000) 36.638 3.916 ( 4.845 -5.318 0.000) 7.194 4.138 ( -4.468 20.389 0.000) 20.873 4.423 ( -1.836 35.092 0.000) 35.140 4.648 ( -10.703 31.174 0.000) 32.960 5.014 ( -5.787 8.318 0.000) 10.133 5.197 ( -1.678 11.329 0.000) 11.452 5.500 ( -10.986 8.334 0.000) 13.789 5.547 ( 18.683 0.907 0.000) 18.705 5.612 ( 6.596 1.443 0.000) 6.752 5.702 ( -3.362 -8.517 0.000) 9.156 5.997 ( -4.806 25.696 0.000) 26.142 6.049 ( 23.625 0.106 0.000) 23.626 6.173 ( 16.255 -2.141 0.000) 16.396 6.478 ( 11.809 -3.565 0.000) 12.335 6.683 ( 8.909 -0.312 0.000) 8.914 6.893 ( 2.096 1.378 0.000) 2.508 6.988 ( -4.507 1.534 0.000) 4.761 7.138 ( 0.442 -3.348 0.000) 3.377 7.164 ( 0.824 1.247 0.000) 1.495 7.419 ( 0.807 -2.172 0.000) 2.317 7.598 ( 2.401 -22.515 0.000) 22.643 7.687 ( 2.744 -17.114 0.000) 17.332 7.712 ( 1.614 -22.402 0.000) 22.460 7.868 ( 0.091 -3.795 0.000) 3.796 7.964 ( -1.936 -3.329 0.000) 3.851 8.049 ( -2.708 -3.449 0.000) 4.385 8.286 ( 1.572 -5.360 0.000) 5.586 8.472 ( 3.329 13.994 0.000) 14.384 8.586 ( -2.551 3.800 0.000) 4.577 8.672 ( 6.480 -8.278 0.000) 10.512 8.793 ( 4.405 -7.150 0.000) 8.398 8.932 ( -12.269 4.744 0.000) 13.155 8.948 ( 2.875 -3.477 0.000) 4.512 9.193 ( -6.776 0.366 0.000) 6.786 9.926 ( -0.442 4.918 0.000) 4.938 10.121 ( -10.414 7.287 0.000) 12.711 10.206 ( 8.028 -6.247 0.000) 10.172 10.405 ( 4.984 -5.655 0.000) 7.538 10.445 ( -8.543 3.232 0.000) 9.134 10.705 ( -8.271 -9.051 0.000) 12.261 11.014 ( 5.144 -1.132 0.000) 5.267 11.399 ( -2.049 9.325 0.000) 9.547 11.847 ( -3.451 1.899 0.000) 3.939 12.477 ( 8.295 -3.019 0.000) 8.827 12.689 ( 11.455 -9.303 0.000) 14.757 12.770 ( 4.779 -9.072 0.000) 10.254 13.297 ( -10.163 6.475 0.000) 12.050 13.318 ( -2.681 2.121 0.000) 3.419 13.799 ( -0.660 -7.085 0.000) 7.115 13.993 ( 4.457 -12.001 0.000) 12.802 14.251 ( 1.871 -4.326 0.000) 4.713 14.386 ( -4.151 -13.993 0.000) 14.596 14.644 ( 2.220 3.138 0.000) 3.844 14.814 ( 6.542 -19.713 0.000) 20.770 14.852 ( 6.040 -15.389 0.000) 16.532 14.891 ( 3.885 -16.816 0.000) 17.259 15.069 ( 24.251 -4.549 0.000) 24.674 15.337 ( 2.117 -8.042 0.000) 8.316 15.471 ( 8.521 3.841 0.000) 9.346 15.676 ( 14.127 1.047 0.000) 14.166 16.163 ( 4.843 2.504 0.000) 5.452 16.189 ( 11.982 -5.674 0.000) 13.257 16.603 ( -12.636 -9.850 0.000) 16.022 16.934 ( -9.003 -1.417 0.000) 9.114 17.232 ( -3.886 -11.315 0.000) 11.963 17.485 ( -26.194 -3.240 0.000) 26.393 17.896 ( -7.598 6.097 0.000) 9.742 18.199 ( -4.503 -17.463 0.000) 18.034 18.251 ( 3.596 -7.367 0.000) 8.198 18.744 ( 0.619 17.765 0.000) 17.776 18.884 ( -4.213 -7.978 0.000) 9.022 18.934 ( -4.295 -17.425 0.000) 17.946 19.058 ( -3.152 10.695 0.000) 11.150 19.787 ( -0.360 4.552 0.000) 4.566 20.289 ( -0.751 3.935 0.000) 4.006 20.309 ( -5.796 3.793 0.000) 6.926 21.063 ( 1.234 2.918 0.000) 3.169 21.717 ( -10.090 -5.882 0.000) 11.679 21.738 ( -1.620 -3.447 0.000) 3.808 22.123 ( 4.279 1.485 0.000) 4.529 22.542 ( 5.170 1.237 0.000) 5.316 ======================= Grid point 20 (15/72) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.502 ( -59.217 15.311 0.000) 61.164 1.547 ( -11.796 30.817 0.000) 32.998 2.431 ( -15.157 4.440 0.000) 15.794 2.496 ( -12.022 4.743 0.000) 12.924 3.078 ( 0.264 56.267 0.000) 56.267 3.320 ( -2.460 36.007 0.000) 36.091 3.373 ( -4.338 28.628 0.000) 28.955 3.451 ( -5.111 -2.436 0.000) 5.662 3.495 ( -2.457 -3.137 0.000) 3.985 3.824 ( 0.442 18.621 0.000) 18.627 3.945 ( 0.810 29.264 0.000) 29.275 4.061 ( 2.491 -4.888 0.000) 5.486 4.156 ( -7.930 22.466 0.000) 23.824 4.849 ( -2.049 7.878 0.000) 8.140 5.020 ( -1.288 10.442 0.000) 10.521 5.193 ( -10.798 10.421 0.000) 15.006 5.470 ( -3.860 23.699 0.000) 24.011 5.643 ( 1.028 -0.730 0.000) 1.261 5.800 ( -0.378 -7.083 0.000) 7.093 5.886 ( 12.788 2.004 0.000) 12.944 6.341 ( 16.229 -1.029 0.000) 16.261 6.398 ( 10.637 -2.989 0.000) 11.049 6.639 ( 7.497 0.720 0.000) 7.532 6.790 ( 7.385 1.795 0.000) 7.600 6.836 ( -10.122 4.137 0.000) 10.935 6.850 ( -0.470 5.278 0.000) 5.299 7.129 ( -3.022 1.022 0.000) 3.190 7.166 ( 1.286 0.468 0.000) 1.369 7.441 ( 0.563 0.639 0.000) 0.852 7.765 ( -6.819 0.427 0.000) 6.833 7.820 ( 2.757 -6.461 0.000) 7.025 7.950 ( 1.899 -8.406 0.000) 8.618 8.012 ( 0.665 -4.611 0.000) 4.659 8.013 ( -0.103 -5.373 0.000) 5.374 8.096 ( -0.479 -6.143 0.000) 6.162 8.325 ( -0.192 -4.036 0.000) 4.040 8.336 ( 5.638 0.816 0.000) 5.697 8.667 ( -4.236 -6.101 0.000) 7.427 8.802 ( -3.579 0.347 0.000) 3.596 8.819 ( -3.287 -12.492 0.000) 12.917 8.923 ( -2.220 -8.842 0.000) 9.116 8.942 ( 2.951 -6.586 0.000) 7.217 9.308 ( 10.577 -3.375 0.000) 11.102 9.839 ( -1.220 5.763 0.000) 5.891 9.870 ( -8.845 7.819 0.000) 11.805 10.284 ( -5.279 5.148 0.000) 7.374 10.391 ( 5.812 -6.656 0.000) 8.836 10.569 ( 3.497 -7.468 0.000) 8.247 10.701 ( -11.020 -9.179 0.000) 14.342 11.088 ( 2.676 -1.519 0.000) 3.077 11.271 ( -0.793 6.521 0.000) 6.569 11.783 ( -2.519 1.279 0.000) 2.825 12.581 ( 3.983 0.324 0.000) 3.996 12.785 ( 5.688 6.889 0.000) 8.934 13.071 ( 0.621 -18.770 0.000) 18.780 13.116 ( -5.471 3.669 0.000) 6.588 13.347 ( 2.962 -10.763 0.000) 11.163 13.886 ( 1.080 -6.463 0.000) 6.553 14.215 ( 6.483 -5.218 0.000) 8.322 14.287 ( -7.985 -6.721 0.000) 10.437 14.577 ( -6.350 -27.552 0.000) 28.275 14.630 ( 1.072 -0.068 0.000) 1.074 15.119 ( 2.708 -12.895 0.000) 13.176 15.168 ( 0.021 -25.134 0.000) 25.134 15.203 ( 1.128 -23.394 0.000) 23.422 15.406 ( 10.763 2.359 0.000) 11.019 15.458 ( 0.507 -8.218 0.000) 8.233 15.666 ( 24.956 -7.949 0.000) 26.192 15.935 ( 19.009 -3.345 0.000) 19.301 16.189 ( 2.806 2.169 0.000) 3.546 16.441 ( 11.396 -1.946 0.000) 11.561 16.630 ( 0.395 -8.098 0.000) 8.108 16.847 ( -6.902 -6.944 0.000) 9.791 17.170 ( -26.196 -3.180 0.000) 26.389 17.351 ( -0.512 -8.512 0.000) 8.528 17.749 ( -0.090 5.823 0.000) 5.824 18.218 ( -0.279 19.310 0.000) 19.312 18.263 ( -6.891 0.910 0.000) 6.951 18.510 ( 2.102 15.503 0.000) 15.645 18.581 ( -2.422 27.259 0.000) 27.367 19.098 ( -3.954 -12.015 0.000) 12.649 19.148 ( -2.392 -11.262 0.000) 11.513 19.718 ( -3.173 -2.139 0.000) 3.827 20.224 ( -7.325 -7.819 0.000) 10.714 20.323 ( 3.320 -3.995 0.000) 5.194 21.056 ( 0.921 0.433 0.000) 1.017 21.638 ( -10.568 -6.620 0.000) 12.470 21.815 ( 0.231 -5.714 0.000) 5.719 22.136 ( 2.041 2.762 0.000) 3.435 22.573 ( 4.547 4.267 0.000) 6.236 ======================= Grid point 21 (16/72) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 0.000 24.450 0.000) 24.450 0.995 ( 0.000 35.391 0.000) 35.391 2.165 ( 0.000 74.031 0.000) 74.031 2.272 ( 0.000 3.142 0.000) 3.142 2.359 ( 0.000 3.230 0.000) 3.230 2.811 ( 0.000 35.196 0.000) 35.196 2.872 ( 0.000 38.419 0.000) 38.419 3.446 ( -0.000 -1.836 0.000) 1.836 3.521 ( -0.000 -2.473 0.000) 2.473 3.596 ( 0.000 15.204 0.000) 15.204 3.636 ( 0.000 19.100 0.000) 19.100 3.829 ( 0.000 16.892 0.000) 16.892 4.138 ( -0.000 -3.737 0.000) 3.737 4.743 ( 0.000 5.699 0.000) 5.699 4.889 ( 0.000 7.396 0.000) 7.396 4.987 ( 0.000 7.394 0.000) 7.394 5.145 ( 0.000 16.630 0.000) 16.630 5.673 ( -0.000 -2.084 0.000) 2.084 5.867 ( -0.000 -2.942 0.000) 2.942 5.959 ( 0.000 1.283 0.000) 1.283 6.471 ( -0.000 -0.529 0.000) 0.529 6.523 ( -0.000 -2.733 0.000) 2.733 6.649 ( 0.000 3.081 0.000) 3.081 6.680 ( 0.000 4.418 0.000) 4.418 6.770 ( 0.000 4.480 0.000) 4.480 6.840 ( 0.000 0.425 0.000) 0.425 7.043 ( 0.000 8.058 0.000) 8.058 7.176 ( -0.000 -0.104 0.000) 0.104 7.424 ( 0.000 0.361 0.000) 0.361 7.694 ( 0.000 1.234 0.000) 1.234 7.755 ( 0.000 15.729 0.000) 15.729 8.011 ( -0.000 -3.717 0.000) 3.717 8.084 ( -0.000 -3.873 0.000) 3.873 8.098 ( -0.000 -10.396 0.000) 10.396 8.171 ( -0.000 -4.760 0.000) 4.760 8.350 ( 0.000 2.765 0.000) 2.765 8.571 ( -0.000 -20.067 0.000) 20.067 8.639 ( -0.000 -1.016 0.000) 1.016 8.778 ( 0.000 0.405 0.000) 0.405 9.037 ( -0.000 -16.710 0.000) 16.710 9.039 ( -0.000 -7.422 0.000) 7.422 9.041 ( -0.000 -4.732 0.000) 4.732 9.448 ( -0.000 -3.150 0.000) 3.150 9.706 ( 0.000 6.559 0.000) 6.559 9.750 ( 0.000 5.159 0.000) 5.159 10.178 ( 0.000 4.364 0.000) 4.364 10.526 ( -0.000 -5.348 0.000) 5.348 10.686 ( -0.000 -5.867 0.000) 5.867 10.687 ( -0.000 -5.906 0.000) 5.906 11.125 ( -0.000 -1.423 0.000) 1.423 11.195 ( 0.000 4.056 0.000) 4.056 11.752 ( 0.000 0.581 0.000) 0.581 12.588 ( 0.000 1.485 0.000) 1.485 12.721 ( 0.000 6.556 0.000) 6.556 13.047 ( 0.000 1.766 0.000) 1.766 13.206 ( -0.000 -4.401 0.000) 4.401 13.654 ( -0.000 -20.802 0.000) 20.802 14.066 ( -0.000 -17.092 0.000) 17.092 14.231 ( -0.000 -1.471 0.000) 1.471 14.284 ( -0.000 -0.720 0.000) 0.720 14.611 ( 0.000 1.537 0.000) 1.537 15.022 ( -0.000 -35.550 0.000) 35.550 15.274 ( -0.000 -8.355 0.000) 8.355 15.417 ( 0.000 2.951 0.000) 2.951 15.474 ( -0.000 -17.956 0.000) 17.956 15.507 ( -0.000 -17.512 0.000) 17.512 15.627 ( -0.000 -18.173 0.000) 18.173 16.126 ( -0.000 -22.607 0.000) 22.607 16.154 ( 0.000 2.254 0.000) 2.254 16.203 ( -0.000 -10.910 0.000) 10.910 16.471 ( 0.000 1.490 0.000) 1.490 16.848 ( -0.000 -6.921 0.000) 6.921 16.900 ( -0.000 -0.630 0.000) 0.630 16.945 ( -0.000 -6.980 0.000) 6.980 17.442 ( -0.000 -4.638 0.000) 4.638 17.753 ( -0.000 -0.001 0.000) 0.001 17.843 ( 0.000 30.660 0.000) 30.660 17.973 ( 0.000 24.868 0.000) 24.868 18.173 ( 0.000 29.624 0.000) 29.624 18.246 ( 0.000 26.342 0.000) 26.342 19.199 ( -0.000 -7.958 0.000) 7.958 19.238 ( -0.000 -5.948 0.000) 5.948 19.765 ( -0.000 -5.564 0.000) 5.564 20.351 ( -0.000 -16.110 0.000) 16.110 20.437 ( -0.000 -7.870 0.000) 7.870 21.066 ( -0.000 -0.700 0.000) 0.700 21.639 ( -0.000 -6.742 0.000) 6.742 21.894 ( -0.000 -5.756 0.000) 5.756 22.111 ( 0.000 2.651 0.000) 2.651 22.536 ( 0.000 6.341 0.000) 6.341 ======================= Grid point 24 (17/72) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 21.390 -0.000 0.000) 21.390 2.008 ( 31.154 -0.000 0.000) 31.154 2.295 ( 4.912 -0.000 0.000) 4.912 2.333 ( 4.036 -0.000 0.000) 4.036 3.190 ( -3.039 0.000 0.000) 3.039 3.203 ( -5.101 0.000 0.000) 5.101 3.311 ( 28.839 -0.000 0.000) 28.839 3.316 ( 26.386 -0.000 0.000) 26.386 3.755 ( 7.267 -0.000 0.000) 7.267 3.801 ( 18.325 -0.000 0.000) 18.325 4.055 ( -4.362 0.000 0.000) 4.362 4.184 ( 51.290 -0.000 0.000) 51.290 4.466 ( 26.362 -0.000 0.000) 26.362 4.756 ( -24.710 0.000 0.000) 24.710 5.033 ( 12.562 -0.000 0.000) 12.562 5.076 ( 10.877 -0.000 0.000) 10.877 5.212 ( -21.367 0.000 0.000) 21.367 5.580 ( 8.680 -0.000 0.000) 8.680 5.641 ( -25.744 0.000 0.000) 25.744 5.716 ( 0.081 -0.000 0.000) 0.081 5.908 ( 14.158 -0.000 0.000) 14.158 5.958 ( 2.538 -0.000 0.000) 2.538 6.448 ( -5.320 0.000 0.000) 5.320 6.454 ( -10.553 0.000 0.000) 10.553 6.610 ( 2.247 -0.000 0.000) 2.247 6.777 ( 8.215 -0.000 0.000) 8.215 6.958 ( -4.548 0.000 0.000) 4.548 7.199 ( -21.490 0.000 0.000) 21.490 7.500 ( 0.692 -0.000 0.000) 0.692 7.562 ( 5.619 -0.000 0.000) 5.619 7.643 ( -2.023 0.000 0.000) 2.023 7.822 ( -17.737 0.000 0.000) 17.737 7.866 ( -7.459 0.000 0.000) 7.459 8.002 ( -4.581 0.000 0.000) 4.581 8.109 ( -11.641 0.000 0.000) 11.641 8.425 ( -1.646 0.000 0.000) 1.646 8.539 ( 4.345 -0.000 0.000) 4.345 8.744 ( -5.412 0.000 0.000) 5.412 8.785 ( -11.064 0.000 0.000) 11.064 8.805 ( -9.853 0.000 0.000) 9.853 9.284 ( -7.479 0.000 0.000) 7.479 9.300 ( 23.220 -0.000 0.000) 23.220 9.343 ( 15.639 -0.000 0.000) 15.639 9.716 ( 0.625 -0.000 0.000) 0.625 10.103 ( 9.653 -0.000 0.000) 9.653 10.307 ( -8.731 0.000 0.000) 8.731 10.536 ( -5.326 0.000 0.000) 5.326 10.662 ( 11.478 -0.000 0.000) 11.478 11.025 ( -2.301 0.000 0.000) 2.301 11.071 ( -6.368 0.000 0.000) 6.368 11.227 ( 5.458 -0.000 0.000) 5.458 12.023 ( 7.641 -0.000 0.000) 7.641 12.445 ( -10.728 0.000 0.000) 10.728 12.640 ( 2.460 -0.000 0.000) 2.460 13.161 ( 3.825 -0.000 0.000) 3.825 13.413 ( 8.895 -0.000 0.000) 8.895 13.638 ( -22.341 0.000 0.000) 22.341 13.941 ( -10.565 0.000 0.000) 10.565 14.015 ( -33.558 0.000 0.000) 33.558 14.023 ( 1.367 -0.000 0.000) 1.367 14.154 ( 3.636 -0.000 0.000) 3.636 14.405 ( -20.866 0.000 0.000) 20.866 14.562 ( -9.185 0.000 0.000) 9.185 14.960 ( -12.617 0.000 0.000) 12.617 15.220 ( -9.879 0.000 0.000) 9.879 15.546 ( 5.242 -0.000 0.000) 5.242 15.617 ( -13.144 0.000 0.000) 13.144 15.833 ( -6.726 0.000 0.000) 6.726 16.124 ( -5.204 0.000 0.000) 5.204 16.187 ( 2.218 -0.000 0.000) 2.218 16.439 ( 3.052 -0.000 0.000) 3.052 16.655 ( -0.856 0.000 0.000) 0.856 16.685 ( -12.428 0.000 0.000) 12.428 16.792 ( -0.713 0.000 0.000) 0.713 17.014 ( -6.069 0.000 0.000) 6.069 17.168 ( -14.541 0.000 0.000) 14.541 17.771 ( -14.859 0.000 0.000) 14.859 18.468 ( -4.886 0.000 0.000) 4.886 18.758 ( 27.905 -0.000 0.000) 27.905 19.231 ( -21.083 0.000 0.000) 21.083 19.240 ( 27.366 -0.000 0.000) 27.366 19.449 ( 0.487 -0.000 0.000) 0.487 19.928 ( 6.102 -0.000 0.000) 6.102 20.290 ( -4.552 0.000 0.000) 4.552 20.691 ( 20.308 -0.000 0.000) 20.308 21.070 ( -1.798 0.000 0.000) 1.798 21.926 ( -6.318 0.000 0.000) 6.318 21.989 ( -2.215 0.000 0.000) 2.215 22.153 ( 3.736 -0.000 0.000) 3.736 22.574 ( -0.616 0.000 0.000) 0.616 ======================= Grid point 25 (18/72) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.906 ( 15.300 -45.859 0.000) 48.344 2.437 ( 25.882 -4.821 0.000) 26.328 2.567 ( 4.315 -24.376 0.000) 24.755 2.592 ( 4.879 -30.938 0.000) 31.320 3.199 ( -4.596 -9.783 0.000) 10.809 3.238 ( -2.446 -13.058 0.000) 13.285 3.653 ( 18.546 -1.327 0.000) 18.593 3.668 ( 14.492 -0.337 0.000) 14.496 3.848 ( 4.140 -0.459 0.000) 4.165 3.953 ( 8.098 0.239 0.000) 8.102 4.031 ( 9.317 1.211 0.000) 9.396 4.484 ( -13.033 -0.657 0.000) 13.050 4.774 ( 21.301 -0.044 0.000) 21.301 4.850 ( 25.008 -2.778 0.000) 25.162 5.051 ( 7.624 0.290 0.000) 7.630 5.178 ( -19.531 3.768 0.000) 19.891 5.248 ( 13.988 -3.971 0.000) 14.541 5.254 ( 0.628 -0.604 0.000) 0.872 5.706 ( 0.021 1.065 0.000) 1.066 5.782 ( 9.158 -6.174 0.000) 11.045 5.891 ( -6.140 3.437 0.000) 7.036 6.008 ( 0.279 -1.737 0.000) 1.759 6.317 ( -7.528 0.890 0.000) 7.580 6.464 ( 5.675 2.882 0.000) 6.365 6.656 ( 0.493 -2.322 0.000) 2.373 6.898 ( -8.199 -1.021 0.000) 8.262 6.915 ( -2.101 -0.738 0.000) 2.227 6.958 ( -3.877 -5.102 0.000) 6.408 7.374 ( -1.306 11.159 0.000) 11.235 7.469 ( -25.927 -1.136 0.000) 25.951 7.610 ( -4.870 0.540 0.000) 4.900 7.708 ( -5.481 1.928 0.000) 5.810 7.748 ( -3.123 -10.587 0.000) 11.038 7.982 ( -2.386 -3.935 0.000) 4.602 7.988 ( -6.483 -2.234 0.000) 6.857 8.340 ( -1.855 7.432 0.000) 7.661 8.603 ( -10.085 2.706 0.000) 10.441 8.605 ( -6.954 7.276 0.000) 10.065 8.651 ( -10.878 1.489 0.000) 10.980 8.745 ( 14.385 -4.658 0.000) 15.120 9.101 ( -9.261 8.361 0.000) 12.477 9.554 ( 12.744 -1.884 0.000) 12.883 9.619 ( 22.317 0.127 0.000) 22.317 9.750 ( 1.090 -2.831 0.000) 3.034 10.157 ( -8.377 4.468 0.000) 9.494 10.239 ( 7.423 -2.367 0.000) 7.791 10.435 ( -4.274 5.263 0.000) 6.780 10.802 ( 7.808 -1.087 0.000) 7.883 10.975 ( -1.634 3.630 0.000) 3.981 11.004 ( -4.506 -1.316 0.000) 4.694 11.339 ( 8.675 -2.294 0.000) 8.973 12.115 ( 7.147 1.720 0.000) 7.351 12.266 ( -10.238 3.787 0.000) 10.916 12.620 ( 1.544 7.484 0.000) 7.641 13.262 ( 3.795 -7.168 0.000) 8.111 13.331 ( -6.918 11.399 0.000) 13.334 13.525 ( 0.763 0.125 0.000) 0.773 13.682 ( -13.031 -1.544 0.000) 13.123 13.807 ( -9.078 -0.554 0.000) 9.094 13.995 ( -1.616 4.940 0.000) 5.198 14.081 ( -21.067 0.106 0.000) 21.067 14.215 ( 6.067 0.980 0.000) 6.145 14.541 ( 0.345 -1.309 0.000) 1.354 14.805 ( -11.791 -1.444 0.000) 11.879 15.043 ( -11.471 4.279 0.000) 12.243 15.378 ( -12.030 9.075 0.000) 15.069 15.595 ( 4.190 4.516 0.000) 6.160 15.712 ( -4.629 4.240 0.000) 6.277 15.823 ( -2.722 20.385 0.000) 20.566 16.227 ( 2.031 5.391 0.000) 5.761 16.327 ( -3.546 11.020 0.000) 11.577 16.559 ( -6.357 -2.898 0.000) 6.986 16.717 ( -2.347 -12.012 0.000) 12.239 16.960 ( -11.589 -15.653 0.000) 19.476 16.991 ( -10.516 -12.893 0.000) 16.638 17.094 ( -7.617 -20.023 0.000) 21.423 17.533 ( -25.921 -6.670 0.000) 26.765 18.313 ( -15.669 1.540 0.000) 15.744 18.849 ( -26.327 -0.535 0.000) 26.333 19.146 ( 21.506 0.383 0.000) 21.510 19.276 ( -14.814 1.937 0.000) 14.941 19.609 ( 18.724 1.238 0.000) 18.765 19.959 ( 4.231 5.581 0.000) 7.003 20.341 ( 10.442 -1.306 0.000) 10.523 20.982 ( 22.756 2.629 0.000) 22.907 21.030 ( -1.520 2.370 0.000) 2.816 21.827 ( -7.600 0.055 0.000) 7.600 21.994 ( -1.778 -4.702 0.000) 5.027 22.152 ( 1.480 5.218 0.000) 5.424 22.500 ( -3.765 5.447 0.000) 6.622 ======================= Grid point 26 (19/72) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( 7.747 -44.412 0.000) 45.082 2.828 ( 19.544 -6.913 0.000) 20.730 3.057 ( 4.502 -37.947 0.000) 38.213 3.108 ( 0.799 -28.571 0.000) 28.582 3.421 ( 1.346 -33.157 0.000) 33.184 3.522 ( 1.205 -32.649 0.000) 32.672 3.626 ( -8.760 4.924 0.000) 10.049 3.734 ( -7.760 -0.364 0.000) 7.768 3.779 ( -11.502 1.144 0.000) 11.558 4.075 ( 6.999 -0.021 0.000) 6.999 4.321 ( 11.983 0.430 0.000) 11.991 4.492 ( 13.057 -5.667 0.000) 14.233 4.793 ( -14.113 3.273 0.000) 14.488 4.858 ( 3.000 1.183 0.000) 3.225 5.127 ( 3.325 0.650 0.000) 3.388 5.220 ( 9.843 -1.550 0.000) 9.965 5.356 ( 8.100 2.936 0.000) 8.616 5.441 ( 11.048 1.763 0.000) 11.187 5.686 ( -0.035 1.605 0.000) 1.606 5.880 ( 6.467 -1.525 0.000) 6.645 6.013 ( 7.969 -10.446 0.000) 13.139 6.030 ( 1.621 0.439 0.000) 1.679 6.219 ( -7.173 -0.466 0.000) 7.188 6.407 ( -8.789 -3.037 0.000) 9.299 6.617 ( -2.823 4.113 0.000) 4.989 6.848 ( 0.954 -1.450 0.000) 1.736 6.905 ( -10.130 1.228 0.000) 10.204 6.925 ( 1.198 -1.725 0.000) 2.100 7.175 ( -5.591 10.948 0.000) 12.293 7.374 ( 1.652 -6.812 0.000) 7.010 7.529 ( -7.005 6.494 0.000) 9.552 7.558 ( 0.243 -0.763 0.000) 0.801 7.891 ( -3.198 -10.355 0.000) 10.838 7.984 ( -2.666 -5.692 0.000) 6.285 8.044 ( 0.521 -6.975 0.000) 6.994 8.206 ( -0.390 8.554 0.000) 8.563 8.390 ( -6.178 9.182 0.000) 11.067 8.404 ( -12.295 3.175 0.000) 12.698 8.479 ( -10.258 1.957 0.000) 10.443 8.829 ( -9.553 11.543 0.000) 14.983 9.039 ( 15.474 -5.830 0.000) 16.536 9.733 ( 10.074 -0.960 0.000) 10.119 9.804 ( 1.295 -1.207 0.000) 1.770 9.879 ( 17.098 1.638 0.000) 17.176 9.976 ( -6.124 5.690 0.000) 8.359 10.262 ( -3.585 10.798 0.000) 11.378 10.367 ( 4.159 -2.969 0.000) 5.110 10.882 ( -1.548 6.759 0.000) 6.934 10.892 ( 2.748 -0.762 0.000) 2.852 10.981 ( -1.472 -1.017 0.000) 1.789 11.523 ( 11.816 -4.054 0.000) 12.492 12.118 ( -2.081 3.954 0.000) 4.468 12.160 ( 5.082 4.320 0.000) 6.670 12.484 ( -0.839 12.468 0.000) 12.496 13.082 ( -1.548 17.774 0.000) 17.841 13.421 ( -7.580 -0.517 0.000) 7.597 13.434 ( 2.286 -10.329 0.000) 10.579 13.724 ( -5.141 -2.311 0.000) 5.637 13.732 ( 6.139 -3.707 0.000) 7.172 13.875 ( -10.824 -2.357 0.000) 11.077 13.887 ( 0.948 8.360 0.000) 8.414 14.286 ( 6.472 1.379 0.000) 6.617 14.575 ( 0.633 -1.239 0.000) 1.392 14.671 ( -10.123 -0.943 0.000) 10.167 14.809 ( -10.255 6.694 0.000) 12.246 15.069 ( -9.719 12.996 0.000) 16.228 15.413 ( -2.925 18.380 0.000) 18.611 15.613 ( 1.141 6.566 0.000) 6.665 15.691 ( 3.473 4.019 0.000) 5.312 16.182 ( -5.569 1.216 0.000) 5.700 16.188 ( 4.185 4.984 0.000) 6.507 16.444 ( -16.340 -3.364 0.000) 16.683 16.815 ( -9.303 -8.116 0.000) 12.346 16.921 ( -10.691 -14.731 0.000) 18.202 17.200 ( -18.567 -17.177 0.000) 25.294 17.230 ( -5.873 -24.789 0.000) 25.475 17.383 ( -17.170 -23.764 0.000) 29.318 18.025 ( -21.968 2.116 0.000) 22.070 18.457 ( -31.314 -1.728 0.000) 31.361 18.975 ( -22.324 2.983 0.000) 22.523 19.430 ( 20.127 0.901 0.000) 20.147 19.786 ( 11.092 2.676 0.000) 11.411 19.902 ( 3.310 9.989 0.000) 10.523 20.547 ( 15.607 0.032 0.000) 15.607 20.976 ( -0.398 2.702 0.000) 2.731 21.168 ( 12.596 8.246 0.000) 15.055 21.759 ( -2.687 -2.691 0.000) 3.802 22.054 ( -1.594 2.222 0.000) 2.734 22.070 ( 0.176 -1.315 0.000) 1.327 22.343 ( -6.268 7.119 0.000) 9.485 ======================= Grid point 27 (20/72) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.153 ( 13.484 -7.352 0.000) 15.358 3.214 ( 0.650 -23.127 0.000) 23.136 3.370 ( -5.449 -11.060 0.000) 12.329 3.406 ( -6.942 0.821 0.000) 6.991 3.544 ( -16.113 -1.816 0.000) 16.215 3.572 ( -15.125 1.382 0.000) 15.188 3.708 ( 2.234 -40.611 0.000) 40.673 3.996 ( -13.211 0.148 0.000) 13.212 4.004 ( -11.668 -17.321 0.000) 20.884 4.121 ( -10.987 -22.943 0.000) 25.438 4.175 ( 5.742 -46.341 0.000) 46.696 4.621 ( -34.036 5.588 0.000) 34.491 4.879 ( 22.085 2.125 0.000) 22.187 4.929 ( 26.406 -8.707 0.000) 27.805 5.162 ( 9.008 -0.674 0.000) 9.034 5.364 ( 5.896 0.850 0.000) 5.957 5.395 ( 2.617 0.083 0.000) 2.618 5.495 ( 8.801 5.306 0.000) 10.277 5.665 ( 0.721 2.121 0.000) 2.240 5.958 ( -0.392 -3.055 0.000) 3.081 6.070 ( 6.131 -1.211 0.000) 6.249 6.124 ( -7.954 1.325 0.000) 8.064 6.254 ( 7.197 -7.686 0.000) 10.529 6.382 ( -0.800 5.308 0.000) 5.368 6.526 ( 3.991 5.243 0.000) 6.589 6.841 ( -4.023 -5.170 0.000) 6.551 6.908 ( 5.743 -1.833 0.000) 6.029 6.932 ( -6.029 8.091 0.000) 10.090 7.009 ( 3.406 -2.520 0.000) 4.237 7.364 ( -5.045 5.159 0.000) 7.216 7.438 ( 6.179 3.114 0.000) 6.920 7.719 ( 7.273 -9.251 0.000) 11.768 7.859 ( -7.795 5.378 0.000) 9.470 8.028 ( -0.810 -2.232 0.000) 2.374 8.160 ( 2.496 -4.994 0.000) 5.583 8.160 ( -0.497 -0.525 0.000) 0.723 8.203 ( -6.451 1.704 0.000) 6.672 8.236 ( -7.835 0.066 0.000) 7.836 8.386 ( -1.629 -4.421 0.000) 4.712 8.544 ( -8.300 10.830 0.000) 13.645 9.277 ( 5.992 -5.503 0.000) 8.136 9.681 ( -4.099 12.024 0.000) 12.704 9.873 ( 8.107 0.301 0.000) 8.113 9.948 ( 2.669 -2.374 0.000) 3.572 9.990 ( 0.924 13.840 0.000) 13.871 10.068 ( 5.268 4.913 0.000) 7.203 10.450 ( 2.178 -2.374 0.000) 3.222 10.759 ( -2.272 6.991 0.000) 7.351 10.877 ( -4.749 1.541 0.000) 4.992 10.981 ( 1.450 1.312 0.000) 1.956 11.760 ( 14.031 -4.088 0.000) 14.614 12.123 ( 8.505 1.765 0.000) 8.687 12.126 ( 1.194 7.402 0.000) 7.498 12.286 ( -1.629 12.349 0.000) 12.456 12.820 ( -0.804 16.640 0.000) 16.659 13.395 ( -0.326 -3.224 0.000) 3.240 13.555 ( -2.420 -7.238 0.000) 7.632 13.747 ( 0.048 -3.355 0.000) 3.355 13.762 ( -0.157 6.960 0.000) 6.961 13.855 ( -1.746 -8.063 0.000) 8.249 13.919 ( 11.260 -1.336 0.000) 11.339 14.354 ( 6.150 1.329 0.000) 6.292 14.487 ( -5.896 7.650 0.000) 9.658 14.571 ( -5.732 -1.537 0.000) 5.935 14.683 ( -4.298 1.263 0.000) 4.480 14.819 ( -1.779 7.394 0.000) 7.605 15.158 ( -3.563 11.093 0.000) 11.651 15.566 ( 5.627 7.141 0.000) 9.091 15.686 ( 3.560 4.223 0.000) 5.523 16.060 ( -12.780 0.622 0.000) 12.795 16.201 ( 4.884 3.147 0.000) 5.810 16.348 ( -12.797 -16.101 0.000) 20.567 16.626 ( -26.498 -6.092 0.000) 27.189 17.046 ( -5.555 -18.460 0.000) 19.277 17.280 ( -9.459 -22.534 0.000) 24.439 17.480 ( -7.880 -23.396 0.000) 24.687 17.572 ( -9.960 -27.092 0.000) 28.865 17.691 ( -23.248 -1.681 0.000) 23.309 18.063 ( -30.983 -3.090 0.000) 31.137 18.624 ( -22.947 2.290 0.000) 23.061 19.658 ( 15.400 2.595 0.000) 15.617 19.789 ( 3.842 12.435 0.000) 13.015 19.841 ( 5.670 6.049 0.000) 8.291 20.690 ( 10.739 7.391 0.000) 13.037 20.990 ( 3.581 -3.013 0.000) 4.680 21.083 ( -1.339 13.160 0.000) 13.228 21.844 ( 5.477 -4.926 0.000) 7.367 21.907 ( -2.777 9.555 0.000) 9.950 22.147 ( -8.207 6.894 0.000) 10.718 22.181 ( 1.110 -8.623 0.000) 8.695 ======================= Grid point 28 (21/72) ======================= q-point: (-0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.092 ( -9.428 13.493 0.000) 16.460 3.293 ( -21.521 0.436 0.000) 21.525 3.323 ( -17.865 2.446 0.000) 18.031 3.442 ( 7.222 -8.922 0.000) 11.478 3.458 ( -7.403 -12.945 0.000) 14.912 3.527 ( -11.327 -6.130 0.000) 12.880 3.600 ( -25.940 1.851 0.000) 26.006 3.701 ( -12.173 -7.660 0.000) 14.383 3.917 ( -44.638 5.446 0.000) 44.969 4.338 ( 4.810 -31.558 0.000) 31.922 4.588 ( 3.037 -15.039 0.000) 15.342 4.845 ( 7.264 -25.211 0.000) 26.237 5.179 ( 22.903 -2.301 0.000) 23.018 5.270 ( 4.353 0.086 0.000) 4.354 5.324 ( -3.349 0.569 0.000) 3.397 5.356 ( 21.648 -1.188 0.000) 21.680 5.545 ( 2.430 -22.918 0.000) 23.047 5.647 ( 1.426 2.682 0.000) 3.038 5.666 ( 19.069 4.474 0.000) 19.587 5.889 ( -5.409 7.471 0.000) 9.224 6.047 ( 1.186 -3.408 0.000) 3.609 6.169 ( -10.691 8.876 0.000) 13.896 6.238 ( 8.866 -7.240 0.000) 11.447 6.355 ( 2.386 2.336 0.000) 3.339 6.609 ( 9.769 0.488 0.000) 9.782 6.794 ( -2.771 1.138 0.000) 2.996 6.865 ( -0.216 -2.140 0.000) 2.151 7.063 ( 8.751 -5.060 0.000) 10.109 7.136 ( 6.723 -3.341 0.000) 7.507 7.259 ( -2.756 2.190 0.000) 3.520 7.491 ( 6.952 4.252 0.000) 8.149 7.615 ( -6.725 12.280 0.000) 14.001 7.849 ( -0.359 -1.473 0.000) 1.516 7.991 ( -10.595 0.946 0.000) 10.637 8.071 ( -1.487 -4.207 0.000) 4.462 8.074 ( -9.642 0.579 0.000) 9.659 8.302 ( 4.091 -0.102 0.000) 4.093 8.328 ( 4.527 -8.182 0.000) 9.351 8.458 ( 8.212 -7.183 0.000) 10.910 8.504 ( 2.082 -8.665 0.000) 8.912 9.295 ( -9.097 1.211 0.000) 9.177 9.444 ( -4.724 12.257 0.000) 13.136 9.684 ( -6.122 19.895 0.000) 20.816 9.983 ( 9.378 0.760 0.000) 9.409 10.012 ( 2.944 -0.272 0.000) 2.956 10.137 ( 5.917 1.129 0.000) 6.024 10.483 ( 0.240 0.363 0.000) 0.435 10.642 ( -3.739 3.766 0.000) 5.307 10.720 ( -11.985 3.806 0.000) 12.575 10.989 ( 4.103 2.614 0.000) 4.865 11.906 ( 2.794 10.538 0.000) 10.902 12.021 ( 1.941 4.269 0.000) 4.690 12.197 ( 6.987 1.507 0.000) 7.148 12.262 ( 11.847 1.214 0.000) 11.909 12.670 ( 4.948 6.688 0.000) 8.319 13.473 ( 3.459 -3.675 0.000) 5.047 13.588 ( -4.585 -3.483 0.000) 5.758 13.644 ( -2.210 7.389 0.000) 7.713 13.729 ( -6.045 -0.824 0.000) 6.101 14.009 ( 3.415 -9.522 0.000) 10.116 14.090 ( 9.217 -1.618 0.000) 9.358 14.387 ( 3.626 0.961 0.000) 3.751 14.392 ( -0.754 -1.438 0.000) 1.624 14.543 ( -6.621 2.791 0.000) 7.185 14.625 ( 9.979 -3.839 0.000) 10.692 14.817 ( 2.737 1.704 0.000) 3.224 15.043 ( -1.006 -0.011 0.000) 1.006 15.567 ( 7.075 5.609 0.000) 9.029 15.677 ( 3.680 3.935 0.000) 5.388 15.902 ( -11.491 -5.163 0.000) 12.597 16.200 ( -2.095 0.817 0.000) 2.249 16.403 ( -18.319 -8.990 0.000) 20.405 16.492 ( -4.655 -20.099 0.000) 20.631 17.224 ( -8.251 -11.039 0.000) 13.782 17.351 ( -18.689 -10.640 0.000) 21.506 17.501 ( -4.299 -23.012 0.000) 23.410 17.697 ( -28.848 -4.700 0.000) 29.229 17.788 ( -7.160 -26.859 0.000) 27.797 17.839 ( -7.808 -28.344 0.000) 29.400 18.309 ( -20.274 -0.351 0.000) 20.277 19.596 ( 2.220 16.486 0.000) 16.635 19.775 ( 2.077 11.257 0.000) 11.447 19.849 ( 12.174 2.631 0.000) 12.455 20.661 ( 4.378 10.204 0.000) 11.104 20.835 ( -5.588 14.821 0.000) 15.840 21.114 ( 5.685 -3.156 0.000) 6.503 21.742 ( -3.081 7.777 0.000) 8.365 21.939 ( -9.182 5.822 0.000) 10.872 21.992 ( 6.093 -4.215 0.000) 7.409 22.322 ( 2.319 -8.267 0.000) 8.586 ======================= Grid point 29 (22/72) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( -8.610 19.881 0.000) 21.665 2.819 ( -56.441 9.616 0.000) 57.254 2.930 ( -25.778 4.367 0.000) 26.145 2.969 ( -22.909 5.182 0.000) 23.488 3.387 ( -9.362 -4.001 0.000) 10.181 3.455 ( -14.017 -2.056 0.000) 14.167 3.658 ( 5.139 -7.999 0.000) 9.508 3.710 ( 0.686 -7.317 0.000) 7.349 3.812 ( 0.060 -9.381 0.000) 9.381 4.571 ( -3.262 10.642 0.000) 11.130 4.581 ( -1.111 7.381 0.000) 7.464 4.987 ( 3.446 3.447 0.000) 4.874 5.250 ( -2.810 4.162 0.000) 5.022 5.330 ( 1.473 3.548 0.000) 3.842 5.457 ( 8.711 6.082 0.000) 10.624 5.567 ( -4.027 14.047 0.000) 14.613 5.584 ( 13.820 1.515 0.000) 13.903 5.650 ( 10.942 1.167 0.000) 11.004 5.822 ( -12.956 11.361 0.000) 17.231 5.974 ( 3.823 -24.221 0.000) 24.521 6.032 ( 21.136 -1.277 0.000) 21.175 6.229 ( 4.839 -10.261 0.000) 11.345 6.394 ( 3.326 -5.545 0.000) 6.466 6.555 ( 6.301 -21.618 0.000) 22.517 6.766 ( 9.649 -6.936 0.000) 11.883 6.768 ( -0.879 -1.659 0.000) 1.877 6.904 ( 2.215 -1.630 0.000) 2.750 7.167 ( -2.348 3.395 0.000) 4.128 7.236 ( -0.293 3.321 0.000) 3.334 7.249 ( 8.412 -4.360 0.000) 9.475 7.451 ( -4.329 4.423 0.000) 6.189 7.481 ( 3.896 -1.308 0.000) 4.109 7.819 ( -1.309 0.934 0.000) 1.608 7.867 ( -9.331 -3.403 0.000) 9.932 7.960 ( -8.625 -2.551 0.000) 8.994 8.137 ( 4.353 -4.542 0.000) 6.292 8.424 ( 4.802 -7.822 0.000) 9.179 8.512 ( 5.574 -7.993 0.000) 9.745 8.636 ( 1.970 -6.348 0.000) 6.647 8.748 ( 11.443 -9.578 0.000) 14.922 9.045 ( -8.384 14.332 0.000) 16.604 9.204 ( -14.568 4.334 0.000) 15.199 9.307 ( -7.477 21.309 0.000) 22.583 10.024 ( 0.900 1.985 0.000) 2.179 10.110 ( 8.941 -0.661 0.000) 8.966 10.194 ( 1.511 -0.762 0.000) 1.692 10.406 ( -6.980 5.163 0.000) 8.682 10.524 ( -6.802 2.043 0.000) 7.102 10.562 ( -4.718 -0.604 0.000) 4.756 11.024 ( 5.108 1.732 0.000) 5.394 11.707 ( -2.736 12.993 0.000) 13.278 11.956 ( -0.487 6.360 0.000) 6.378 12.366 ( 4.008 -2.780 0.000) 4.878 12.389 ( 13.337 -3.326 0.000) 13.745 12.787 ( 15.348 0.355 0.000) 15.352 13.452 ( -12.690 4.025 0.000) 13.313 13.468 ( -2.292 8.361 0.000) 8.670 13.603 ( -0.280 -6.497 0.000) 6.503 13.716 ( -1.726 -5.946 0.000) 6.191 14.159 ( 1.479 -6.787 0.000) 6.947 14.184 ( 1.372 -1.346 0.000) 1.922 14.421 ( -2.806 -7.914 0.000) 8.397 14.483 ( -4.488 -5.834 0.000) 7.361 14.547 ( 9.027 -8.518 0.000) 12.411 14.791 ( 0.678 4.206 0.000) 4.260 14.926 ( 22.414 -6.497 0.000) 23.337 15.113 ( 0.702 -7.907 0.000) 7.938 15.596 ( 6.735 4.754 0.000) 8.244 15.704 ( 6.275 0.737 0.000) 6.318 15.942 ( 1.057 -11.863 0.000) 11.910 16.174 ( -3.823 -6.043 0.000) 7.150 16.347 ( -5.379 -3.727 0.000) 6.544 16.726 ( -1.041 -18.081 0.000) 18.111 16.996 ( -19.869 -1.347 0.000) 19.915 17.373 ( -27.225 -4.372 0.000) 27.573 17.558 ( -3.868 -25.689 0.000) 25.979 17.780 ( -1.128 -23.056 0.000) 23.084 17.945 ( -10.941 -5.102 0.000) 12.072 18.159 ( -4.607 -30.225 0.000) 30.574 18.211 ( -9.562 -24.273 0.000) 26.089 19.370 ( 1.089 19.866 0.000) 19.896 19.596 ( 0.145 17.046 0.000) 17.047 19.935 ( 6.654 4.519 0.000) 8.044 20.545 ( -0.470 10.937 0.000) 10.948 20.562 ( -4.138 14.154 0.000) 14.746 21.179 ( 2.861 3.040 0.000) 4.175 21.643 ( -1.832 1.526 0.000) 2.384 21.751 ( -7.561 3.979 0.000) 8.544 22.111 ( 4.437 -2.561 0.000) 5.124 22.462 ( 2.931 -6.700 0.000) 7.313 ======================= Grid point 30 (23/72) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.922 ( -46.613 14.625 0.000) 48.853 2.325 ( -6.142 25.641 0.000) 26.366 2.565 ( -16.427 4.974 0.000) 17.163 2.636 ( -13.982 5.131 0.000) 14.894 3.367 ( -5.691 -3.551 0.000) 6.708 3.370 ( -3.536 -5.413 0.000) 6.466 3.770 ( 0.090 -0.590 0.000) 0.597 3.770 ( 2.181 3.343 0.000) 3.992 3.908 ( 1.783 -4.082 0.000) 4.455 4.260 ( -3.094 28.428 0.000) 28.596 4.330 ( -2.710 16.228 0.000) 16.452 4.788 ( -1.714 24.155 0.000) 24.216 5.059 ( -1.112 31.448 0.000) 31.468 5.146 ( 0.957 17.758 0.000) 17.784 5.351 ( -0.066 13.033 0.000) 13.033 5.494 ( -3.960 3.466 0.000) 5.263 5.527 ( -6.488 -4.406 0.000) 7.843 5.597 ( 0.773 1.503 0.000) 1.690 5.903 ( 16.836 2.037 0.000) 16.959 6.186 ( -1.098 2.159 0.000) 2.422 6.294 ( 12.515 -2.328 0.000) 12.730 6.372 ( 5.178 10.580 0.000) 11.780 6.469 ( 5.202 -13.439 0.000) 14.410 6.809 ( 8.427 -1.798 0.000) 8.616 6.959 ( 4.034 0.162 0.000) 4.037 6.968 ( 0.212 -3.425 0.000) 3.432 7.056 ( 2.348 -8.617 0.000) 8.932 7.116 ( -4.884 -26.933 0.000) 27.372 7.195 ( 0.126 1.637 0.000) 1.642 7.333 ( -8.417 -8.362 0.000) 11.865 7.465 ( 5.461 -15.619 0.000) 16.547 7.640 ( 6.468 -6.707 0.000) 9.318 7.782 ( -4.391 -1.432 0.000) 4.618 7.854 ( -2.753 -5.770 0.000) 6.394 7.921 ( -5.747 -6.592 0.000) 8.745 8.308 ( 11.433 -3.775 0.000) 12.040 8.599 ( 2.633 -8.567 0.000) 8.962 8.667 ( 5.691 -1.125 0.000) 5.801 8.740 ( -4.061 15.366 0.000) 15.894 8.742 ( 2.049 -6.473 0.000) 6.789 8.810 ( -14.526 1.831 0.000) 14.641 8.919 ( -7.947 18.925 0.000) 20.526 9.121 ( 2.891 -9.693 0.000) 10.114 9.985 ( -0.184 4.354 0.000) 4.358 10.076 ( -8.887 6.864 0.000) 11.229 10.244 ( 6.393 -3.489 0.000) 7.283 10.376 ( 1.700 -5.418 0.000) 5.679 10.428 ( -2.471 4.609 0.000) 5.230 10.523 ( -5.254 -3.332 0.000) 6.222 11.070 ( 3.326 0.441 0.000) 3.355 11.512 ( -1.543 11.009 0.000) 11.116 11.864 ( -1.100 5.115 0.000) 5.232 12.510 ( 1.323 -13.732 0.000) 13.796 12.581 ( 9.464 -0.598 0.000) 9.482 12.962 ( 12.435 4.859 0.000) 13.350 13.227 ( -9.924 4.124 0.000) 10.746 13.322 ( -4.387 4.087 0.000) 5.996 13.696 ( -0.008 -7.024 0.000) 7.024 13.835 ( 0.617 -13.332 0.000) 13.346 14.184 ( -3.521 -2.137 0.000) 4.119 14.227 ( -2.189 -4.345 0.000) 4.866 14.556 ( -1.447 -16.497 0.000) 16.560 14.590 ( -1.589 -15.668 0.000) 15.748 14.726 ( 1.792 3.298 0.000) 3.753 14.809 ( 3.833 -11.267 0.000) 11.901 15.233 ( -0.377 -8.984 0.000) 8.991 15.355 ( 23.010 -7.765 0.000) 24.285 15.606 ( 2.936 3.232 0.000) 4.367 15.838 ( 8.291 -4.657 0.000) 9.509 16.226 ( 11.149 -15.036 0.000) 18.718 16.265 ( 5.820 1.083 0.000) 5.920 16.352 ( -0.934 -9.299 0.000) 9.346 16.714 ( -15.947 -0.964 0.000) 15.976 17.005 ( -1.109 -16.845 0.000) 16.881 17.074 ( -24.168 -3.427 0.000) 24.410 17.811 ( -7.801 -0.166 0.000) 7.802 17.872 ( -1.706 -23.988 0.000) 24.048 18.081 ( 0.691 -20.572 0.000) 20.583 18.520 ( -1.926 -28.429 0.000) 28.494 18.525 ( -3.026 -28.999 0.000) 29.157 19.087 ( 0.172 22.611 0.000) 22.611 19.323 ( -0.521 22.177 0.000) 22.183 19.882 ( -0.198 9.737 0.000) 9.739 20.351 ( -3.825 12.540 0.000) 13.110 20.379 ( 0.438 8.125 0.000) 8.137 21.135 ( 0.790 5.308 0.000) 5.367 21.571 ( -5.890 1.347 0.000) 6.042 21.700 ( 0.575 -2.506 0.000) 2.571 22.178 ( 2.324 -0.373 0.000) 2.353 22.575 ( 2.506 -4.117 0.000) 4.820 ======================= Grid point 31 (24/72) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 0.000 20.383 0.000) 20.383 1.895 ( 0.000 30.182 0.000) 30.182 2.384 ( 0.000 4.714 0.000) 4.714 2.472 ( 0.000 4.715 0.000) 4.715 3.377 ( -0.000 -3.253 0.000) 3.253 3.419 ( -0.000 -4.913 0.000) 4.913 3.630 ( 0.000 22.006 0.000) 22.006 3.652 ( 0.000 16.105 0.000) 16.105 3.795 ( 0.000 36.204 0.000) 36.204 3.982 ( -0.000 -2.616 0.000) 2.616 4.095 ( 0.000 14.344 0.000) 14.344 4.425 ( 0.000 25.288 0.000) 25.288 4.466 ( 0.000 44.927 0.000) 44.927 4.976 ( 0.000 11.568 0.000) 11.568 5.168 ( 0.000 12.593 0.000) 12.593 5.272 ( 0.000 12.079 0.000) 12.079 5.595 ( -0.000 -0.056 0.000) 0.056 5.676 ( -0.000 -10.659 0.000) 10.659 5.872 ( 0.000 28.739 0.000) 28.739 6.003 ( 0.000 1.899 0.000) 1.899 6.421 ( -0.000 -2.972 0.000) 2.972 6.427 ( -0.000 -3.854 0.000) 3.854 6.665 ( -0.000 -6.868 0.000) 6.868 6.853 ( 0.000 7.994 0.000) 7.994 6.864 ( 0.000 1.259 0.000) 1.259 6.960 ( 0.000 8.982 0.000) 8.982 7.055 ( -0.000 -4.210 0.000) 4.210 7.182 ( 0.000 0.725 0.000) 0.725 7.411 ( -0.000 -6.562 0.000) 6.562 7.610 ( -0.000 -34.772 0.000) 34.772 7.735 ( 0.000 1.457 0.000) 1.457 7.788 ( -0.000 -9.713 0.000) 9.713 7.804 ( -0.000 -18.458 0.000) 18.458 7.929 ( -0.000 -7.141 0.000) 7.141 7.989 ( -0.000 -8.254 0.000) 8.254 8.447 ( 0.000 5.578 0.000) 5.578 8.523 ( 0.000 22.942 0.000) 22.942 8.582 ( -0.000 -3.455 0.000) 3.455 8.608 ( -0.000 -2.431 0.000) 2.431 8.767 ( -0.000 -1.993 0.000) 1.993 8.786 ( -0.000 -10.411 0.000) 10.411 8.863 ( -0.000 -7.867 0.000) 7.867 9.290 ( -0.000 -8.708 0.000) 8.708 9.907 ( 0.000 7.513 0.000) 7.513 9.911 ( 0.000 5.825 0.000) 5.825 10.332 ( 0.000 6.216 0.000) 6.216 10.362 ( -0.000 -5.741 0.000) 5.741 10.488 ( -0.000 -7.740 0.000) 7.740 10.526 ( -0.000 -4.686 0.000) 4.686 11.094 ( -0.000 -0.515 0.000) 0.515 11.368 ( 0.000 8.681 0.000) 8.681 11.797 ( 0.000 3.211 0.000) 3.211 12.636 ( 0.000 1.723 0.000) 1.723 12.772 ( -0.000 -22.523 0.000) 22.523 12.944 ( 0.000 9.041 0.000) 9.041 13.111 ( 0.000 2.731 0.000) 2.731 13.284 ( -0.000 -2.237 0.000) 2.237 13.794 ( -0.000 -7.404 0.000) 7.404 14.108 ( -0.000 -25.031 0.000) 25.031 14.180 ( -0.000 -2.085 0.000) 2.085 14.244 ( -0.000 -2.259 0.000) 2.259 14.682 ( 0.000 3.674 0.000) 3.674 14.824 ( -0.000 -23.590 0.000) 23.590 14.847 ( -0.000 -22.442 0.000) 22.442 15.004 ( -0.000 -12.447 0.000) 12.447 15.349 ( -0.000 -8.395 0.000) 8.395 15.527 ( 0.000 4.908 0.000) 4.908 15.720 ( -0.000 -11.645 0.000) 11.645 15.996 ( -0.000 -7.094 0.000) 7.094 16.238 ( 0.000 3.784 0.000) 3.784 16.530 ( 0.000 2.748 0.000) 2.748 16.578 ( -0.000 -11.991 0.000) 11.991 16.592 ( -0.000 -17.670 0.000) 17.670 16.877 ( -0.000 -0.975 0.000) 0.975 17.205 ( -0.000 -12.840 0.000) 12.840 17.754 ( 0.000 0.084 0.000) 0.084 18.144 ( -0.000 -14.937 0.000) 14.937 18.308 ( -0.000 -8.531 0.000) 8.531 18.757 ( 0.000 17.881 0.000) 17.881 18.832 ( -0.000 -9.275 0.000) 9.275 18.866 ( -0.000 -16.426 0.000) 16.426 19.019 ( 0.000 13.490 0.000) 13.490 19.731 ( 0.000 8.328 0.000) 8.328 20.161 ( 0.000 7.555 0.000) 7.555 20.328 ( 0.000 1.329 0.000) 1.329 21.083 ( 0.000 2.794 0.000) 2.794 21.519 ( -0.000 -1.096 0.000) 1.096 21.755 ( -0.000 -4.099 0.000) 4.099 22.184 ( 0.000 1.751 0.000) 1.751 22.628 ( -0.000 -0.497 0.000) 0.497 ======================= Grid point 36 (25/72) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 15.360 -0.000 0.000) 15.360 2.428 ( 4.447 -0.000 0.000) 4.447 2.453 ( 4.514 -0.000 0.000) 4.514 2.735 ( 21.920 -0.000 0.000) 21.920 3.067 ( -4.440 0.000 0.000) 4.440 3.113 ( -2.360 0.000 0.000) 2.360 3.684 ( -10.102 0.000 0.000) 10.102 3.731 ( -7.275 0.000 0.000) 7.275 3.806 ( -8.420 0.000 0.000) 8.420 4.075 ( 9.045 -0.000 0.000) 9.045 4.322 ( 22.179 -0.000 0.000) 22.179 4.431 ( 5.267 -0.000 0.000) 5.267 4.840 ( -16.991 0.000 0.000) 16.991 4.874 ( 5.717 -0.000 0.000) 5.717 5.160 ( 20.501 -0.000 0.000) 20.501 5.176 ( -5.721 0.000 0.000) 5.721 5.439 ( 15.306 -0.000 0.000) 15.306 5.449 ( 19.264 -0.000 0.000) 19.264 5.704 ( -0.944 0.000 0.000) 0.944 5.831 ( 4.619 -0.000 0.000) 4.619 5.893 ( 1.880 -0.000 0.000) 1.880 5.998 ( 0.058 -0.000 0.000) 0.058 6.243 ( -3.198 0.000 0.000) 3.198 6.333 ( -16.660 0.000 0.000) 16.660 6.677 ( 3.777 -0.000 0.000) 3.777 6.813 ( -1.356 0.000 0.000) 1.356 6.901 ( 0.965 -0.000 0.000) 0.965 7.061 ( 11.191 -0.000 0.000) 11.191 7.108 ( -16.040 0.000 0.000) 16.040 7.523 ( -3.309 0.000 0.000) 3.309 7.523 ( -2.443 0.000 0.000) 2.443 7.595 ( -1.351 0.000 0.000) 1.351 7.643 ( -8.412 0.000 0.000) 8.412 7.879 ( -6.214 0.000 0.000) 6.214 7.929 ( -0.405 0.000 0.000) 0.405 8.346 ( -4.136 0.000 0.000) 4.136 8.454 ( -13.078 0.000 0.000) 13.078 8.498 ( -12.477 0.000 0.000) 12.477 8.541 ( -9.046 0.000 0.000) 9.046 8.951 ( 17.863 -0.000 0.000) 17.863 8.998 ( -13.166 0.000 0.000) 13.166 9.709 ( 11.661 -0.000 0.000) 11.661 9.767 ( 4.148 -0.000 0.000) 4.148 9.901 ( 18.092 -0.000 0.000) 18.092 10.082 ( -7.169 0.000 0.000) 7.169 10.314 ( 5.673 -0.000 0.000) 5.673 10.432 ( -2.076 0.000 0.000) 2.076 10.877 ( 3.988 -0.000 0.000) 3.988 10.949 ( -1.200 0.000 0.000) 1.200 10.992 ( -0.211 0.000 0.000) 0.211 11.466 ( 12.297 -0.000 0.000) 12.297 12.184 ( -4.397 0.000 0.000) 4.397 12.226 ( 6.995 -0.000 0.000) 6.995 12.714 ( 2.843 -0.000 0.000) 2.843 13.231 ( -0.145 0.000 0.000) 0.145 13.335 ( -2.674 0.000 0.000) 2.674 13.522 ( -3.740 0.000 0.000) 3.740 13.601 ( 3.908 -0.000 0.000) 3.908 13.690 ( -6.809 0.000 0.000) 6.809 13.845 ( -12.770 0.000 0.000) 12.770 14.049 ( 2.250 -0.000 0.000) 2.250 14.313 ( 6.636 -0.000 0.000) 6.636 14.548 ( 1.795 -0.000 0.000) 1.795 14.649 ( -9.227 0.000 0.000) 9.227 14.895 ( -13.455 0.000 0.000) 13.455 15.283 ( -10.699 0.000 0.000) 10.699 15.593 ( -11.970 0.000 0.000) 11.970 15.693 ( 5.295 -0.000 0.000) 5.295 15.932 ( -9.513 0.000 0.000) 9.513 16.249 ( 2.181 -0.000 0.000) 2.181 16.325 ( -12.823 0.000 0.000) 12.823 16.530 ( 3.464 -0.000 0.000) 3.464 16.615 ( -26.637 0.000 0.000) 26.637 16.635 ( -0.530 0.000 0.000) 0.530 16.773 ( -0.579 0.000 0.000) 0.579 16.811 ( -8.517 0.000 0.000) 8.517 17.066 ( -35.080 0.000 0.000) 35.080 18.055 ( -22.897 0.000 0.000) 22.897 18.431 ( -32.162 0.000 0.000) 32.162 19.014 ( -23.788 0.000 0.000) 23.788 19.442 ( 20.210 -0.000 0.000) 20.210 19.820 ( 11.609 -0.000 0.000) 11.609 20.043 ( 2.723 -0.000 0.000) 2.723 20.524 ( 15.778 -0.000 0.000) 15.778 21.037 ( -0.178 0.000 0.000) 0.178 21.277 ( 16.154 -0.000 0.000) 16.154 21.729 ( -5.832 0.000 0.000) 5.832 21.944 ( -0.619 0.000 0.000) 0.619 22.187 ( -1.462 0.000 0.000) 1.462 22.456 ( -7.667 0.000 0.000) 7.667 ======================= Grid point 37 (26/72) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 10.067 -37.964 0.000) 39.276 2.682 ( 3.884 -23.643 0.000) 23.960 2.697 ( 2.704 -28.312 0.000) 28.441 3.018 ( 16.028 -3.320 0.000) 16.368 3.103 ( -1.632 -13.086 0.000) 13.188 3.191 ( -0.877 -15.886 0.000) 15.910 3.477 ( -17.011 0.390 0.000) 17.016 3.539 ( -18.203 -0.278 0.000) 18.205 3.668 ( -8.784 3.055 0.000) 9.300 4.065 ( -13.132 1.253 0.000) 13.192 4.124 ( -30.132 1.148 0.000) 30.154 4.745 ( -30.468 2.670 0.000) 30.585 4.802 ( 31.075 -1.713 0.000) 31.122 4.919 ( 22.203 0.681 0.000) 22.214 5.154 ( 10.084 -0.062 0.000) 10.085 5.364 ( 9.253 -0.378 0.000) 9.261 5.570 ( 10.671 8.818 0.000) 13.843 5.643 ( 0.614 5.252 0.000) 5.288 5.689 ( -0.895 0.194 0.000) 0.916 5.809 ( 6.679 -6.247 0.000) 9.145 5.969 ( 6.287 -10.986 0.000) 12.658 6.033 ( 3.486 -1.815 0.000) 3.930 6.199 ( 1.431 3.353 0.000) 3.645 6.437 ( 16.780 -0.287 0.000) 16.782 6.681 ( -6.554 1.114 0.000) 6.648 6.757 ( 0.982 -0.379 0.000) 1.053 6.943 ( 4.229 -0.999 0.000) 4.345 6.945 ( 1.776 7.569 0.000) 7.774 7.263 ( -6.923 13.598 0.000) 15.259 7.326 ( 8.589 -11.716 0.000) 14.527 7.497 ( -7.916 3.420 0.000) 8.623 7.565 ( -0.417 1.057 0.000) 1.136 7.682 ( -3.184 -12.999 0.000) 13.383 7.851 ( -3.736 -6.197 0.000) 7.236 7.976 ( 2.182 -4.735 0.000) 5.214 8.253 ( -11.533 1.187 0.000) 11.594 8.268 ( -5.497 3.691 0.000) 6.621 8.311 ( -13.155 1.600 0.000) 13.252 8.399 ( -7.914 2.353 0.000) 8.257 8.774 ( -14.038 4.685 0.000) 14.799 9.171 ( 10.173 -2.096 0.000) 10.387 9.835 ( 5.124 -0.478 0.000) 5.147 9.878 ( 11.674 -0.054 0.000) 11.674 9.967 ( -4.994 3.797 0.000) 6.274 10.098 ( 11.775 1.062 0.000) 11.822 10.362 ( -0.701 7.151 0.000) 7.186 10.388 ( 3.097 -1.214 0.000) 3.327 10.897 ( -1.733 0.129 0.000) 1.738 10.958 ( 0.076 5.086 0.000) 5.087 10.973 ( 3.132 -0.943 0.000) 3.271 11.671 ( 15.754 -1.836 0.000) 15.861 12.177 ( 5.462 1.339 0.000) 5.624 12.290 ( 5.502 3.700 0.000) 6.630 12.654 ( 0.544 12.121 0.000) 12.133 13.282 ( -3.445 -10.734 0.000) 11.273 13.302 ( 2.665 6.656 0.000) 7.170 13.391 ( -0.545 11.316 0.000) 11.329 13.649 ( -0.529 -2.355 0.000) 2.414 13.737 ( -5.393 -1.490 0.000) 5.595 13.739 ( 5.719 -7.560 0.000) 9.479 14.038 ( 4.066 6.984 0.000) 8.082 14.392 ( 6.129 1.185 0.000) 6.243 14.553 ( -5.555 -0.387 0.000) 5.568 14.578 ( 1.012 -0.037 0.000) 1.013 14.707 ( -10.725 1.370 0.000) 10.812 15.093 ( -8.315 8.073 0.000) 11.589 15.503 ( -11.376 -12.083 0.000) 16.596 15.606 ( -7.710 17.816 0.000) 19.412 15.774 ( 2.259 1.661 0.000) 2.804 16.080 ( -15.587 5.468 0.000) 16.518 16.203 ( -22.824 3.564 0.000) 23.101 16.292 ( 2.686 1.213 0.000) 2.947 16.512 ( -31.588 -0.954 0.000) 31.603 16.649 ( -0.405 -9.599 0.000) 9.607 16.706 ( -10.331 -14.588 0.000) 17.876 16.884 ( -2.688 -15.672 0.000) 15.900 16.906 ( -8.049 -19.830 0.000) 21.401 17.714 ( -25.400 0.822 0.000) 25.413 17.998 ( -32.083 -1.370 0.000) 32.113 18.667 ( -25.298 0.782 0.000) 25.310 19.691 ( 16.608 0.469 0.000) 16.615 19.938 ( 7.320 1.473 0.000) 7.467 20.041 ( 2.113 4.965 0.000) 5.396 20.736 ( 13.208 -1.458 0.000) 13.289 21.019 ( 0.421 2.761 0.000) 2.793 21.352 ( -0.501 5.495 0.000) 5.518 21.731 ( 4.722 -2.505 0.000) 5.345 21.976 ( 0.554 -4.422 0.000) 4.457 22.121 ( -3.351 4.388 0.000) 5.522 22.311 ( -9.131 3.763 0.000) 9.876 ======================= Grid point 38 (27/72) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( 2.652 -31.427 0.000) 31.539 3.065 ( -0.947 -20.678 0.000) 20.700 3.175 ( 3.573 -40.442 0.000) 40.600 3.250 ( -14.910 -0.064 0.000) 14.911 3.272 ( 10.017 -5.548 0.000) 11.451 3.279 ( -20.333 -0.948 0.000) 20.355 3.466 ( -5.457 -10.893 0.000) 12.183 3.495 ( -1.822 -24.638 0.000) 24.705 3.586 ( 2.184 -40.250 0.000) 40.309 3.683 ( -29.124 0.165 0.000) 29.124 3.716 ( -30.925 0.281 0.000) 30.926 4.094 ( -50.582 4.674 0.000) 50.798 5.196 ( 19.886 1.567 0.000) 19.948 5.268 ( 29.887 -0.396 0.000) 29.890 5.294 ( 9.377 1.041 0.000) 9.434 5.431 ( 1.016 1.478 0.000) 1.793 5.548 ( 8.634 9.070 0.000) 12.522 5.681 ( -0.232 -0.194 0.000) 0.303 5.725 ( 18.772 0.426 0.000) 18.777 5.943 ( 2.197 0.773 0.000) 2.329 6.119 ( -1.544 5.613 0.000) 5.822 6.219 ( 16.105 0.413 0.000) 16.111 6.246 ( 9.438 -10.871 0.000) 14.396 6.532 ( 2.877 12.363 0.000) 12.694 6.621 ( 0.416 -2.140 0.000) 2.180 6.776 ( 5.759 0.323 0.000) 5.768 6.961 ( 5.135 -2.015 0.000) 5.517 6.976 ( -8.123 11.849 0.000) 14.366 7.045 ( 6.814 -2.363 0.000) 7.212 7.353 ( -5.526 3.681 0.000) 6.640 7.527 ( 5.675 -1.731 0.000) 5.933 7.644 ( 2.420 -10.736 0.000) 11.005 7.739 ( -8.272 -4.891 0.000) 9.609 7.923 ( -1.663 -7.842 0.000) 8.017 8.045 ( -13.446 1.702 0.000) 13.553 8.102 ( -3.353 -4.288 0.000) 5.443 8.113 ( -5.260 -1.664 0.000) 5.517 8.223 ( 2.357 -0.948 0.000) 2.541 8.315 ( -2.589 -2.585 0.000) 3.659 8.514 ( -12.109 5.786 0.000) 13.420 9.243 ( -4.245 -1.939 0.000) 4.666 9.782 ( -2.657 9.414 0.000) 9.782 9.956 ( 3.731 -2.043 0.000) 4.254 10.031 ( 11.191 1.172 0.000) 11.252 10.193 ( 4.374 2.746 0.000) 5.165 10.194 ( 0.031 14.472 0.000) 14.472 10.448 ( 1.926 -1.995 0.000) 2.773 10.806 ( -9.564 2.102 0.000) 9.793 10.855 ( -0.681 9.275 0.000) 9.300 11.035 ( 4.918 0.614 0.000) 4.956 11.935 ( 17.954 -2.460 0.000) 18.122 12.264 ( 2.418 8.714 0.000) 9.044 12.305 ( 15.036 0.664 0.000) 15.051 12.447 ( -1.673 14.478 0.000) 14.574 13.076 ( 0.018 21.857 0.000) 21.857 13.391 ( 4.328 -1.712 0.000) 4.655 13.396 ( -2.844 -11.323 0.000) 11.675 13.688 ( -5.685 -1.531 0.000) 5.888 13.756 ( 5.000 -7.147 0.000) 8.723 13.859 ( 2.669 4.003 0.000) 4.811 14.040 ( 7.576 0.321 0.000) 7.583 14.419 ( 0.113 2.638 0.000) 2.640 14.499 ( -3.667 4.518 0.000) 5.819 14.547 ( 5.184 -1.871 0.000) 5.512 14.643 ( -2.348 0.616 0.000) 2.427 14.890 ( -2.911 7.314 0.000) 7.872 15.253 ( -9.744 13.590 0.000) 16.722 15.589 ( -5.409 -12.551 0.000) 13.667 15.759 ( -25.101 -7.068 0.000) 26.077 15.777 ( 1.007 3.038 0.000) 3.201 15.996 ( -9.416 -3.815 0.000) 10.160 16.090 ( -30.910 -6.225 0.000) 31.531 16.326 ( 4.494 1.171 0.000) 4.644 16.789 ( -0.363 -11.895 0.000) 11.901 16.874 ( -5.116 -21.143 0.000) 21.753 17.083 ( -4.813 -20.347 0.000) 20.909 17.098 ( -7.713 -23.790 0.000) 25.009 17.361 ( -23.883 0.803 0.000) 23.896 17.605 ( -29.585 -2.804 0.000) 29.717 18.325 ( -22.807 0.634 0.000) 22.816 19.874 ( 11.344 2.143 0.000) 11.544 19.977 ( 3.202 8.149 0.000) 8.755 19.979 ( 4.046 4.111 0.000) 5.768 20.886 ( 6.745 3.546 0.000) 7.620 21.005 ( 2.968 -1.411 0.000) 3.286 21.185 ( -6.413 9.724 0.000) 11.648 21.866 ( 6.485 -4.156 0.000) 7.702 21.976 ( -3.930 6.810 0.000) 7.863 22.072 ( -1.958 -3.743 0.000) 4.224 22.132 ( -5.539 2.735 0.000) 6.178 ======================= Grid point 39 (28/72) ======================= q-point: (-0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.983 ( -26.917 0.992 0.000) 26.936 3.031 ( -17.530 1.205 0.000) 17.571 3.035 ( -40.413 2.574 0.000) 40.495 3.201 ( -10.274 10.789 0.000) 14.898 3.272 ( -6.763 -16.867 0.000) 18.173 3.285 ( -8.947 -7.693 0.000) 11.800 3.364 ( -3.295 -11.289 0.000) 11.760 3.459 ( -22.965 -2.648 0.000) 23.118 3.501 ( 2.926 -6.852 0.000) 7.451 3.868 ( 0.954 -41.606 0.000) 41.617 4.184 ( 2.528 -47.110 0.000) 47.178 4.345 ( 5.175 -55.050 0.000) 55.293 5.257 ( 1.080 3.597 0.000) 3.756 5.318 ( -0.191 6.957 0.000) 6.959 5.412 ( 5.108 5.034 0.000) 7.171 5.621 ( 15.517 2.199 0.000) 15.672 5.679 ( 4.537 1.204 0.000) 4.694 5.709 ( 23.130 1.293 0.000) 23.166 5.864 ( -8.390 7.954 0.000) 11.561 6.006 ( 17.670 1.582 0.000) 17.741 6.019 ( 3.304 -1.282 0.000) 3.544 6.255 ( -6.675 18.730 0.000) 19.884 6.429 ( 3.511 0.788 0.000) 3.598 6.437 ( 17.047 4.272 0.000) 17.574 6.705 ( 3.822 -3.132 0.000) 4.942 6.779 ( -2.996 1.856 0.000) 3.524 6.886 ( 7.950 -0.276 0.000) 7.955 7.112 ( 8.895 -5.737 0.000) 10.585 7.194 ( 8.062 -2.994 0.000) 8.600 7.255 ( -2.359 2.313 0.000) 3.304 7.575 ( -0.992 1.918 0.000) 2.159 7.605 ( -9.467 3.874 0.000) 10.229 7.759 ( -5.373 -5.830 0.000) 7.928 7.860 ( -8.819 0.786 0.000) 8.854 7.926 ( -12.122 0.055 0.000) 12.122 8.005 ( 2.616 -5.030 0.000) 5.670 8.280 ( 5.018 -8.273 0.000) 9.676 8.303 ( -1.994 -1.099 0.000) 2.277 8.395 ( 0.498 -9.244 0.000) 9.257 8.434 ( 5.583 -10.242 0.000) 11.664 9.112 ( -17.036 -0.840 0.000) 17.056 9.587 ( -2.445 13.917 0.000) 14.130 9.924 ( -1.704 21.413 0.000) 21.480 10.028 ( 2.646 -1.352 0.000) 2.971 10.141 ( 8.051 1.938 0.000) 8.281 10.211 ( 1.910 1.856 0.000) 2.663 10.486 ( 0.263 -0.503 0.000) 0.568 10.594 ( -13.888 3.703 0.000) 14.373 10.702 ( -1.620 10.043 0.000) 10.173 11.082 ( 4.648 2.028 0.000) 5.071 12.091 ( -1.504 14.817 0.000) 14.893 12.159 ( 8.475 5.564 0.000) 10.138 12.335 ( 9.230 2.142 0.000) 9.475 12.504 ( 15.011 6.780 0.000) 16.471 12.850 ( 5.108 9.657 0.000) 10.925 13.474 ( -5.173 -3.775 0.000) 6.404 13.476 ( 2.229 -2.563 0.000) 3.397 13.599 ( -8.707 -3.800 0.000) 9.500 13.744 ( -1.265 10.937 0.000) 11.010 13.950 ( 6.347 -7.947 0.000) 10.170 14.149 ( 3.021 -1.586 0.000) 3.412 14.361 ( -2.551 2.310 0.000) 3.441 14.451 ( 3.084 1.844 0.000) 3.594 14.524 ( -5.125 6.518 0.000) 8.292 14.738 ( 14.139 -6.423 0.000) 15.530 14.854 ( 0.880 -1.295 0.000) 1.565 15.015 ( -7.159 3.658 0.000) 8.040 15.543 ( -12.113 -12.351 0.000) 17.299 15.681 ( -11.891 -3.144 0.000) 12.300 15.752 ( 2.278 -0.016 0.000) 2.278 15.942 ( -3.791 -5.680 0.000) 6.829 16.073 ( -8.443 -26.121 0.000) 27.452 16.373 ( 4.751 2.004 0.000) 5.157 16.967 ( -0.884 -15.351 0.000) 15.377 17.024 ( -19.788 1.178 0.000) 19.823 17.117 ( -4.216 -23.535 0.000) 23.909 17.267 ( -24.480 -4.528 0.000) 24.896 17.342 ( -5.062 -24.926 0.000) 25.435 17.356 ( -7.065 -26.732 0.000) 27.650 18.041 ( -17.910 -0.050 0.000) 17.910 19.821 ( 1.403 12.794 0.000) 12.871 19.935 ( 1.619 8.051 0.000) 8.212 20.023 ( 8.364 2.304 0.000) 8.676 20.827 ( 0.712 8.938 0.000) 8.966 20.946 ( -5.686 12.517 0.000) 13.748 21.131 ( 4.827 -5.090 0.000) 7.015 21.816 ( -2.984 8.693 0.000) 9.191 21.910 ( -7.439 6.628 0.000) 9.964 22.002 ( 4.438 -4.714 0.000) 6.474 22.229 ( 1.801 -9.008 0.000) 9.187 ======================= Grid point 40 (29/72) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( -40.662 10.415 0.000) 41.975 2.678 ( -16.917 2.980 0.000) 17.178 2.755 ( -14.546 3.537 0.000) 14.970 2.922 ( -3.764 17.619 0.000) 18.017 3.215 ( -5.951 -5.442 0.000) 8.064 3.270 ( -7.508 -3.233 0.000) 8.175 3.542 ( 0.159 -17.412 0.000) 17.412 3.593 ( 2.015 -13.781 0.000) 13.927 3.648 ( 1.001 -10.199 0.000) 10.248 4.418 ( 1.068 -31.006 0.000) 31.025 4.618 ( 0.093 -6.501 0.000) 6.501 5.014 ( 4.222 -15.000 0.000) 15.583 5.269 ( 0.853 -16.311 0.000) 16.334 5.350 ( 0.976 12.113 0.000) 12.152 5.409 ( 0.539 -31.553 0.000) 31.558 5.636 ( -3.592 9.537 0.000) 10.191 5.673 ( 1.904 4.042 0.000) 4.468 5.684 ( 3.280 6.596 0.000) 7.366 5.836 ( -10.491 18.760 0.000) 21.494 6.003 ( 17.965 3.019 0.000) 18.217 6.134 ( 3.036 -8.769 0.000) 9.280 6.236 ( 9.727 -1.539 0.000) 9.848 6.399 ( -0.355 -0.375 0.000) 0.517 6.546 ( 10.160 6.114 0.000) 11.858 6.790 ( 1.375 0.790 0.000) 1.586 6.808 ( 3.797 -3.795 0.000) 5.368 6.988 ( 7.819 1.020 0.000) 7.885 7.182 ( -2.040 3.398 0.000) 3.964 7.287 ( -0.019 3.830 0.000) 3.830 7.305 ( 7.198 -3.846 0.000) 8.161 7.431 ( -8.480 5.917 0.000) 10.340 7.519 ( 5.037 -2.163 0.000) 5.482 7.665 ( -11.417 -4.110 0.000) 12.134 7.783 ( -11.149 -2.699 0.000) 11.471 7.819 ( -0.344 -0.129 0.000) 0.368 8.188 ( 13.865 -4.788 0.000) 14.668 8.359 ( 1.371 -7.396 0.000) 7.522 8.460 ( 3.845 -8.746 0.000) 9.554 8.536 ( 0.245 -9.808 0.000) 9.811 8.691 ( 1.844 -11.213 0.000) 11.363 8.850 ( -19.551 -3.671 0.000) 19.893 9.335 ( -1.660 18.967 0.000) 19.039 9.578 ( -1.617 25.390 0.000) 25.441 10.056 ( 0.877 0.783 0.000) 1.176 10.206 ( -0.182 2.096 0.000) 2.103 10.208 ( 4.650 0.515 0.000) 4.678 10.341 ( -9.335 3.266 0.000) 9.890 10.504 ( -0.626 0.771 0.000) 0.993 10.560 ( -1.739 6.761 0.000) 6.981 11.108 ( 3.061 2.019 0.000) 3.667 11.858 ( -1.995 14.284 0.000) 14.423 12.076 ( 0.838 10.151 0.000) 10.185 12.455 ( 2.159 9.671 0.000) 9.910 12.542 ( 13.136 -2.168 0.000) 13.314 13.011 ( 17.788 -1.354 0.000) 17.840 13.321 ( -11.963 2.550 0.000) 12.232 13.446 ( -11.358 0.670 0.000) 11.378 13.618 ( 3.627 6.224 0.000) 7.204 13.623 ( -1.102 -5.390 0.000) 5.501 14.106 ( 2.793 -4.901 0.000) 5.641 14.152 ( -2.984 -0.346 0.000) 3.004 14.317 ( -2.067 -1.806 0.000) 2.745 14.390 ( -4.076 1.049 0.000) 4.209 14.533 ( 3.535 -5.684 0.000) 6.693 14.859 ( 0.781 4.020 0.000) 4.095 14.979 ( -3.248 -8.671 0.000) 9.260 15.076 ( 15.400 -11.374 0.000) 19.144 15.647 ( -4.940 -9.092 0.000) 10.348 15.687 ( 2.836 -11.069 0.000) 11.427 15.756 ( -0.884 -4.853 0.000) 4.933 16.058 ( 6.990 -6.910 0.000) 9.828 16.386 ( 2.395 3.396 0.000) 4.155 16.389 ( -2.046 -27.767 0.000) 27.842 16.763 ( -13.622 2.270 0.000) 13.810 16.992 ( -19.685 -2.540 0.000) 19.848 17.201 ( -1.157 -20.699 0.000) 20.731 17.423 ( -1.642 -25.568 0.000) 25.621 17.656 ( -1.580 -26.852 0.000) 26.898 17.686 ( -3.120 -30.608 0.000) 30.766 17.852 ( -11.569 -2.818 0.000) 11.907 19.633 ( 0.608 16.766 0.000) 16.777 19.804 ( 0.272 12.872 0.000) 12.875 20.066 ( 3.700 3.990 0.000) 5.441 20.689 ( -0.736 11.044 0.000) 11.069 20.707 ( -2.665 13.633 0.000) 13.891 21.229 ( 2.172 -1.318 0.000) 2.541 21.675 ( -1.807 6.952 0.000) 7.183 21.744 ( -3.561 5.634 0.000) 6.665 22.110 ( 2.267 -4.212 0.000) 4.783 22.378 ( 1.331 -9.336 0.000) 9.430 ======================= Grid point 41 (30/72) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 0.000 14.617 0.000) 14.617 2.508 ( 0.000 4.070 0.000) 4.070 2.598 ( 0.000 4.214 0.000) 4.214 2.618 ( 0.000 22.626 0.000) 22.626 3.261 ( -0.000 -6.410 0.000) 6.410 3.274 ( -0.000 -4.079 0.000) 4.079 3.726 ( -0.000 -5.725 0.000) 5.725 3.736 ( -0.000 -9.565 0.000) 9.565 3.819 ( -0.000 -10.942 0.000) 10.942 4.520 ( 0.000 13.626 0.000) 13.626 4.544 ( 0.000 13.024 0.000) 13.024 5.091 ( 0.000 21.137 0.000) 21.137 5.169 ( -0.000 -15.150 0.000) 15.150 5.415 ( 0.000 21.966 0.000) 21.966 5.518 ( 0.000 8.577 0.000) 8.577 5.539 ( 0.000 13.667 0.000) 13.667 5.546 ( 0.000 2.880 0.000) 2.880 5.638 ( 0.000 3.102 0.000) 3.102 5.950 ( -0.000 -34.008 0.000) 34.008 6.072 ( 0.000 3.713 0.000) 3.713 6.323 ( -0.000 -12.270 0.000) 12.270 6.334 ( -0.000 -2.956 0.000) 2.956 6.471 ( -0.000 -5.429 0.000) 5.429 6.697 ( -0.000 -23.568 0.000) 23.568 6.768 ( -0.000 -2.005 0.000) 2.005 6.872 ( -0.000 -1.385 0.000) 1.385 7.071 ( -0.000 -4.379 0.000) 4.379 7.082 ( 0.000 7.641 0.000) 7.641 7.226 ( 0.000 2.896 0.000) 2.896 7.227 ( 0.000 9.585 0.000) 9.585 7.419 ( -0.000 -2.554 0.000) 2.554 7.652 ( -0.000 -1.682 0.000) 1.682 7.663 ( -0.000 -7.662 0.000) 7.662 7.744 ( -0.000 -9.219 0.000) 9.219 7.816 ( 0.000 0.230 0.000) 0.230 8.443 ( -0.000 -6.788 0.000) 6.788 8.512 ( -0.000 -8.759 0.000) 8.759 8.527 ( 0.000 1.729 0.000) 1.729 8.609 ( -0.000 -8.814 0.000) 8.814 8.659 ( -0.000 -7.852 0.000) 7.852 8.974 ( -0.000 -14.197 0.000) 14.197 9.037 ( 0.000 22.209 0.000) 22.209 9.208 ( 0.000 26.363 0.000) 26.363 10.035 ( 0.000 2.954 0.000) 2.954 10.106 ( 0.000 7.052 0.000) 7.052 10.253 ( -0.000 -1.923 0.000) 1.923 10.316 ( -0.000 -4.138 0.000) 4.138 10.470 ( 0.000 3.318 0.000) 3.318 10.482 ( 0.000 2.288 0.000) 2.288 11.106 ( 0.000 1.374 0.000) 1.374 11.661 ( 0.000 12.569 0.000) 12.569 11.951 ( 0.000 8.343 0.000) 8.343 12.410 ( -0.000 -1.865 0.000) 1.865 12.661 ( -0.000 -0.264 0.000) 0.264 13.179 ( 0.000 7.644 0.000) 7.644 13.187 ( 0.000 2.731 0.000) 2.731 13.279 ( -0.000 -0.955 0.000) 0.955 13.626 ( -0.000 -2.758 0.000) 2.758 13.697 ( -0.000 -7.312 0.000) 7.312 14.132 ( -0.000 -1.117 0.000) 1.117 14.168 ( -0.000 -3.063 0.000) 3.063 14.372 ( -0.000 -8.651 0.000) 8.651 14.411 ( -0.000 -8.095 0.000) 8.095 14.678 ( -0.000 -10.672 0.000) 10.672 14.801 ( 0.000 4.780 0.000) 4.780 15.094 ( -0.000 -10.208 0.000) 10.208 15.380 ( -0.000 -13.551 0.000) 13.551 15.670 ( 0.000 5.285 0.000) 5.285 15.760 ( -0.000 -10.433 0.000) 10.433 16.032 ( -0.000 -22.587 0.000) 22.587 16.256 ( -0.000 -10.486 0.000) 10.486 16.349 ( 0.000 4.108 0.000) 4.108 16.616 ( 0.000 3.428 0.000) 3.428 16.729 ( -0.000 -22.681 0.000) 22.681 16.851 ( -0.000 -0.916 0.000) 0.916 17.508 ( -0.000 -25.412 0.000) 25.412 17.759 ( 0.000 0.239 0.000) 0.239 17.763 ( -0.000 -25.272 0.000) 25.272 18.079 ( -0.000 -31.900 0.000) 31.900 18.092 ( -0.000 -31.480 0.000) 31.480 19.384 ( 0.000 20.262 0.000) 20.262 19.595 ( 0.000 17.894 0.000) 17.894 20.010 ( 0.000 7.739 0.000) 7.739 20.513 ( 0.000 13.518 0.000) 13.518 20.515 ( 0.000 11.763 0.000) 11.763 21.215 ( 0.000 4.746 0.000) 4.746 21.579 ( 0.000 4.756 0.000) 4.756 21.684 ( 0.000 0.291 0.000) 0.291 22.173 ( -0.000 -2.615 0.000) 2.615 22.507 ( -0.000 -7.789 0.000) 7.789 ======================= Grid point 48 (31/72) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 8.257 -0.000 0.000) 8.257 2.524 ( 2.503 -0.000 0.000) 2.503 2.564 ( 3.396 -0.000 0.000) 3.396 2.978 ( -2.038 0.000 0.000) 2.038 3.069 ( -0.897 0.000 0.000) 0.897 3.192 ( 6.869 -0.000 0.000) 6.869 3.249 ( -11.513 0.000 0.000) 11.513 3.267 ( -20.666 0.000 0.000) 20.666 3.581 ( -8.149 0.000 0.000) 8.149 3.700 ( -30.716 0.000 0.000) 30.716 3.746 ( -32.435 0.000 0.000) 32.435 4.165 ( -52.640 0.000 0.000) 52.640 5.209 ( 28.270 -0.000 0.000) 28.270 5.276 ( 27.677 -0.000 0.000) 27.677 5.310 ( 11.240 -0.000 0.000) 11.240 5.425 ( 1.126 -0.000 0.000) 1.126 5.667 ( -1.175 0.000 0.000) 1.175 5.730 ( 15.530 -0.000 0.000) 15.530 5.878 ( 15.567 -0.000 0.000) 15.567 5.887 ( 1.802 -0.000 0.000) 1.802 5.980 ( 11.773 -0.000 0.000) 11.773 6.176 ( 13.995 -0.000 0.000) 13.995 6.245 ( 6.560 -0.000 0.000) 6.560 6.514 ( -9.680 0.000 0.000) 9.680 6.708 ( 14.934 -0.000 0.000) 14.934 6.857 ( 9.741 -0.000 0.000) 9.741 7.012 ( 6.696 -0.000 0.000) 6.696 7.025 ( -2.380 0.000 0.000) 2.380 7.263 ( -12.328 0.000 0.000) 12.328 7.324 ( 6.974 -0.000 0.000) 6.974 7.409 ( -7.100 0.000 0.000) 7.100 7.531 ( -1.902 0.000 0.000) 1.902 7.563 ( -1.456 0.000 0.000) 1.456 7.769 ( 0.189 -0.000 0.000) 0.189 7.992 ( 4.919 -0.000 0.000) 4.919 8.065 ( -15.119 0.000 0.000) 15.119 8.135 ( -13.727 0.000 0.000) 13.727 8.238 ( -3.210 0.000 0.000) 3.210 8.305 ( -7.075 0.000 0.000) 7.075 8.601 ( -14.947 0.000 0.000) 14.947 9.216 ( -2.449 0.000 0.000) 2.449 9.907 ( 5.335 -0.000 0.000) 5.335 9.934 ( -3.678 0.000 0.000) 3.678 10.047 ( 12.177 -0.000 0.000) 12.177 10.223 ( 5.466 -0.000 0.000) 5.466 10.413 ( 0.317 -0.000 0.000) 0.317 10.415 ( 2.213 -0.000 0.000) 2.213 10.833 ( -8.296 0.000 0.000) 8.296 11.002 ( 0.715 -0.000 0.000) 0.715 11.038 ( 6.495 -0.000 0.000) 6.495 11.897 ( 18.924 -0.000 0.000) 18.924 12.310 ( 13.160 -0.000 0.000) 13.160 12.391 ( 4.870 -0.000 0.000) 4.870 12.787 ( 2.303 -0.000 0.000) 2.303 13.096 ( -7.943 0.000 0.000) 7.943 13.362 ( 4.932 -0.000 0.000) 4.932 13.629 ( -0.845 0.000 0.000) 0.845 13.659 ( 1.131 -0.000 0.000) 1.131 13.669 ( -1.010 0.000 0.000) 1.010 13.693 ( 11.782 -0.000 0.000) 11.782 14.153 ( 4.406 -0.000 0.000) 4.406 14.479 ( 5.192 -0.000 0.000) 5.192 14.517 ( 0.914 -0.000 0.000) 0.914 14.562 ( -4.732 0.000 0.000) 4.732 14.632 ( 0.686 -0.000 0.000) 0.686 15.047 ( -6.834 0.000 0.000) 6.834 15.173 ( -17.669 0.000 0.000) 17.669 15.551 ( -21.778 0.000 0.000) 21.778 15.686 ( -36.701 0.000 0.000) 36.701 15.820 ( 3.812 -0.000 0.000) 3.812 15.999 ( -32.744 0.000 0.000) 32.744 16.075 ( -7.922 0.000 0.000) 7.922 16.299 ( 1.411 -0.000 0.000) 1.411 16.617 ( 2.708 -0.000 0.000) 2.708 16.629 ( 0.024 -0.000 0.000) 0.024 16.639 ( -5.618 0.000 0.000) 5.618 16.763 ( -0.139 0.000 0.000) 0.139 17.379 ( -24.029 0.000 0.000) 24.029 17.564 ( -29.664 0.000 0.000) 29.664 18.334 ( -23.517 0.000 0.000) 23.517 19.894 ( 12.593 -0.000 0.000) 12.593 20.029 ( 4.501 -0.000 0.000) 4.501 20.099 ( 1.661 -0.000 0.000) 1.661 20.873 ( 8.821 -0.000 0.000) 8.821 21.044 ( 0.006 -0.000 0.000) 0.006 21.322 ( -7.408 0.000 0.000) 7.408 21.804 ( 6.934 -0.000 0.000) 6.934 21.960 ( 1.316 -0.000 0.000) 1.316 22.095 ( -4.446 0.000 0.000) 4.446 22.209 ( -8.927 0.000 0.000) 8.927 ======================= Grid point 49 (32/72) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( 4.216 -32.765 0.000) 33.035 2.739 ( 0.650 -23.775 0.000) 23.784 2.768 ( 2.217 -23.196 0.000) 23.301 2.983 ( -21.513 -0.561 0.000) 21.521 3.023 ( -14.947 -1.224 0.000) 14.997 3.072 ( -0.561 -17.897 0.000) 17.905 3.185 ( -14.825 -13.323 0.000) 19.932 3.197 ( -33.037 -4.473 0.000) 33.339 3.274 ( -18.751 -0.233 0.000) 18.753 3.379 ( 3.085 -1.360 0.000) 3.372 3.474 ( -6.071 3.908 0.000) 7.220 3.515 ( -33.704 0.627 0.000) 33.710 5.425 ( -0.822 -0.487 0.000) 0.955 5.454 ( 10.171 1.100 0.000) 10.231 5.468 ( 11.794 5.809 0.000) 13.147 5.648 ( 22.768 0.322 0.000) 22.770 5.661 ( -0.113 -1.164 0.000) 1.170 5.847 ( 16.671 9.117 0.000) 19.001 5.980 ( 16.625 -0.143 0.000) 16.626 6.054 ( 5.612 6.984 0.000) 8.959 6.168 ( -1.780 5.247 0.000) 5.540 6.216 ( 10.787 -12.963 0.000) 16.864 6.469 ( -0.668 -6.938 0.000) 6.970 6.503 ( 17.254 -0.399 0.000) 17.259 6.806 ( 7.421 9.402 0.000) 11.978 6.895 ( -0.702 6.625 0.000) 6.662 6.996 ( -12.689 9.927 0.000) 16.111 7.019 ( 10.239 -1.297 0.000) 10.320 7.124 ( 8.127 -1.521 0.000) 8.268 7.315 ( -4.798 1.378 0.000) 4.992 7.501 ( 2.824 -11.664 0.000) 12.001 7.549 ( -6.310 -6.449 0.000) 9.023 7.553 ( -1.819 -2.394 0.000) 3.007 7.857 ( -13.615 -0.951 0.000) 13.649 7.860 ( 6.678 -3.540 0.000) 7.558 7.946 ( -12.804 0.855 0.000) 12.833 8.098 ( 5.952 -3.843 0.000) 7.085 8.216 ( -0.128 -1.661 0.000) 1.666 8.241 ( -3.112 -2.056 0.000) 3.730 8.396 ( -11.925 1.809 0.000) 12.061 9.095 ( -15.396 -0.308 0.000) 15.399 9.855 ( -1.922 5.475 0.000) 5.803 9.981 ( 3.356 -1.507 0.000) 3.679 10.183 ( 7.985 0.887 0.000) 8.034 10.254 ( 0.784 1.239 0.000) 1.467 10.360 ( 0.472 8.620 0.000) 8.633 10.449 ( 1.437 -1.186 0.000) 1.863 10.669 ( -13.868 1.348 0.000) 13.933 10.967 ( 0.396 6.461 0.000) 6.473 11.120 ( 5.412 0.668 0.000) 5.453 12.172 ( 19.622 -0.937 0.000) 19.644 12.407 ( 3.030 5.888 0.000) 6.621 12.540 ( 19.406 -0.811 0.000) 19.423 12.636 ( -1.552 16.720 0.000) 16.792 13.166 ( -3.106 -16.076 0.000) 16.373 13.389 ( 1.069 18.202 0.000) 18.233 13.452 ( 3.261 4.572 0.000) 5.616 13.559 ( -11.099 -0.225 0.000) 11.102 13.792 ( 9.806 -3.081 0.000) 10.279 13.930 ( 7.763 -3.246 0.000) 8.414 14.149 ( 3.061 5.457 0.000) 6.257 14.482 ( 1.383 5.598 0.000) 5.766 14.531 ( 2.381 1.862 0.000) 3.022 14.610 ( 8.426 -3.180 0.000) 9.006 14.645 ( 0.483 1.172 0.000) 1.268 14.906 ( -9.709 4.429 0.000) 10.672 15.145 ( -12.478 -25.335 0.000) 28.241 15.170 ( -20.311 4.401 0.000) 20.782 15.253 ( -29.909 -8.272 0.000) 31.032 15.644 ( -16.679 3.008 0.000) 16.948 15.875 ( 2.166 -1.114 0.000) 2.436 15.954 ( -4.629 3.755 0.000) 5.961 16.373 ( 3.217 -4.802 0.000) 5.780 16.600 ( -3.505 -8.288 0.000) 8.998 16.689 ( 1.662 -5.528 0.000) 5.772 16.750 ( -3.355 -14.705 0.000) 15.083 16.830 ( -1.258 -9.966 0.000) 10.045 17.072 ( -19.706 0.783 0.000) 19.722 17.202 ( -24.524 -1.344 0.000) 24.561 18.044 ( -18.365 0.104 0.000) 18.365 20.020 ( 5.995 1.802 0.000) 6.260 20.062 ( 2.227 1.901 0.000) 2.928 20.101 ( 3.724 3.299 0.000) 4.975 20.976 ( 3.785 -0.154 0.000) 3.788 21.028 ( 0.865 0.561 0.000) 1.031 21.188 ( -6.892 4.653 0.000) 8.316 21.899 ( 4.563 -2.215 0.000) 5.072 21.976 ( -2.649 0.589 0.000) 2.713 22.029 ( -2.149 0.949 0.000) 2.349 22.090 ( -4.446 1.479 0.000) 4.685 ======================= Grid point 50 (33/72) ======================= q-point: (-0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( -38.109 5.111 0.000) 38.450 2.722 ( -16.176 0.401 0.000) 16.181 2.815 ( -13.607 0.900 0.000) 13.637 2.931 ( -0.129 -27.266 0.000) 27.266 3.046 ( -0.589 -19.713 0.000) 19.722 3.084 ( -8.172 -3.347 0.000) 8.831 3.198 ( -6.189 -9.955 0.000) 11.722 3.294 ( -4.223 -34.373 0.000) 34.631 3.318 ( -3.313 8.424 0.000) 9.052 3.488 ( 3.366 -4.503 0.000) 5.622 3.540 ( 1.048 -45.364 0.000) 45.376 3.659 ( 1.534 -47.169 0.000) 47.194 5.396 ( 0.981 12.424 0.000) 12.463 5.402 ( -0.561 3.441 0.000) 3.486 5.555 ( 8.161 2.181 0.000) 8.448 5.677 ( -0.050 -1.553 0.000) 1.554 5.832 ( 9.110 2.720 0.000) 9.507 5.873 ( -7.492 11.966 0.000) 14.118 6.089 ( 3.949 3.830 0.000) 5.501 6.097 ( 23.694 3.088 0.000) 23.894 6.216 ( 9.312 0.269 0.000) 9.316 6.425 ( -4.867 12.208 0.000) 13.142 6.458 ( 2.811 -2.133 0.000) 3.528 6.695 ( 1.584 2.662 0.000) 3.097 6.722 ( 14.747 3.115 0.000) 15.072 6.732 ( -8.420 1.184 0.000) 8.503 6.966 ( 4.540 -5.302 0.000) 6.980 7.192 ( 12.451 -1.384 0.000) 12.528 7.233 ( -0.387 0.066 0.000) 0.392 7.285 ( 6.067 -1.445 0.000) 6.237 7.508 ( -5.834 -1.411 0.000) 6.003 7.516 ( -8.340 0.113 0.000) 8.340 7.582 ( -9.276 -3.962 0.000) 10.087 7.750 ( -4.306 -5.619 0.000) 7.079 7.771 ( -10.503 1.120 0.000) 10.562 8.080 ( 17.177 -2.777 0.000) 17.400 8.239 ( 3.646 -6.786 0.000) 7.703 8.245 ( -2.894 -1.462 0.000) 3.242 8.286 ( 0.262 -6.642 0.000) 6.647 8.342 ( 1.613 -9.692 0.000) 9.825 8.824 ( -23.294 -0.043 0.000) 23.294 9.731 ( -0.852 9.978 0.000) 10.015 10.037 ( 1.555 -1.648 0.000) 2.266 10.176 ( 0.062 15.718 0.000) 15.718 10.241 ( 3.314 1.387 0.000) 3.593 10.252 ( 0.882 2.528 0.000) 2.677 10.447 ( -11.768 3.024 0.000) 12.150 10.485 ( -0.267 -1.506 0.000) 1.530 10.844 ( -0.063 11.242 0.000) 11.242 11.161 ( 2.945 1.611 0.000) 3.357 12.281 ( -0.487 14.942 0.000) 14.950 12.365 ( 5.329 9.732 0.000) 11.095 12.493 ( 10.121 0.719 0.000) 10.146 12.814 ( 17.477 3.254 0.000) 17.778 13.082 ( 1.246 18.980 0.000) 19.021 13.338 ( -3.336 -7.869 0.000) 8.547 13.400 ( -9.859 -5.375 0.000) 11.229 13.443 ( -4.730 0.286 0.000) 4.739 13.916 ( 3.513 12.235 0.000) 12.729 13.980 ( 9.240 -3.685 0.000) 9.948 14.154 ( -0.156 0.220 0.000) 0.270 14.383 ( -2.743 5.497 0.000) 6.144 14.524 ( 1.138 4.723 0.000) 4.858 14.561 ( -5.986 6.972 0.000) 9.189 14.748 ( -6.843 -5.801 0.000) 8.971 14.806 ( 9.088 -7.166 0.000) 11.573 14.987 ( -2.699 3.209 0.000) 4.193 15.159 ( -9.340 -18.964 0.000) 21.139 15.463 ( -7.477 -1.486 0.000) 7.623 15.479 ( -4.047 -35.184 0.000) 35.416 15.863 ( -2.152 2.970 0.000) 3.668 15.937 ( 3.571 -2.784 0.000) 4.528 16.457 ( 3.909 1.140 0.000) 4.072 16.757 ( -3.512 -21.596 0.000) 21.880 16.804 ( 0.579 -9.032 0.000) 9.051 16.828 ( -11.766 1.897 0.000) 11.918 16.939 ( -13.836 -4.144 0.000) 14.443 16.953 ( -4.996 -18.634 0.000) 19.292 17.000 ( -2.033 -17.590 0.000) 17.707 17.844 ( -10.428 0.150 0.000) 10.429 19.980 ( 0.669 8.354 0.000) 8.381 20.037 ( 0.727 4.721 0.000) 4.777 20.137 ( 4.223 1.796 0.000) 4.589 20.928 ( -0.607 6.152 0.000) 6.182 21.023 ( -3.807 8.494 0.000) 9.308 21.110 ( 2.476 -5.053 0.000) 5.627 21.882 ( -2.266 5.630 0.000) 6.069 21.923 ( -3.499 6.445 0.000) 7.334 21.987 ( 2.218 -3.954 0.000) 4.533 22.137 ( 0.961 -6.920 0.000) 6.987 ======================= Grid point 51 (34/72) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 0.000 8.445 0.000) 8.445 2.589 ( 0.000 1.713 0.000) 1.713 2.690 ( 0.000 2.392 0.000) 2.392 3.093 ( -0.000 -5.408 0.000) 5.408 3.114 ( 0.000 12.756 0.000) 12.756 3.174 ( -0.000 -2.904 0.000) 2.904 3.266 ( -0.000 -22.501 0.000) 22.501 3.348 ( -0.000 -19.395 0.000) 19.395 3.574 ( -0.000 -5.231 0.000) 5.231 3.890 ( -0.000 -44.130 0.000) 44.130 4.218 ( -0.000 -47.515 0.000) 47.515 4.423 ( -0.000 -58.361 0.000) 58.361 5.252 ( 0.000 6.024 0.000) 6.024 5.304 ( 0.000 9.561 0.000) 9.561 5.583 ( 0.000 16.446 0.000) 16.446 5.640 ( -0.000 -0.906 0.000) 0.906 5.692 ( -0.000 -0.301 0.000) 0.301 5.831 ( 0.000 6.508 0.000) 6.508 6.093 ( -0.000 -0.600 0.000) 0.600 6.102 ( 0.000 25.283 0.000) 25.283 6.264 ( 0.000 11.152 0.000) 11.152 6.281 ( -0.000 -0.771 0.000) 0.771 6.342 ( -0.000 -2.326 0.000) 2.326 6.759 ( -0.000 -6.351 0.000) 6.351 6.761 ( 0.000 8.345 0.000) 8.345 6.775 ( -0.000 -5.355 0.000) 5.355 7.055 ( -0.000 -1.159 0.000) 1.159 7.206 ( 0.000 2.033 0.000) 2.033 7.335 ( 0.000 2.647 0.000) 2.647 7.356 ( -0.000 -1.070 0.000) 1.070 7.388 ( 0.000 0.051 0.000) 0.051 7.514 ( -0.000 -1.525 0.000) 1.525 7.527 ( -0.000 -5.610 0.000) 5.610 7.658 ( 0.000 1.545 0.000) 1.545 7.792 ( -0.000 -3.178 0.000) 3.178 8.256 ( -0.000 -4.892 0.000) 4.892 8.343 ( -0.000 -4.124 0.000) 4.124 8.372 ( -0.000 -8.401 0.000) 8.401 8.400 ( -0.000 -9.460 0.000) 9.460 8.552 ( -0.000 -15.552 0.000) 15.552 8.563 ( 0.000 0.976 0.000) 0.976 9.558 ( 0.000 14.693 0.000) 14.693 9.905 ( 0.000 22.932 0.000) 22.932 10.064 ( -0.000 -0.696 0.000) 0.696 10.247 ( 0.000 0.962 0.000) 0.962 10.266 ( -0.000 -0.064 0.000) 0.064 10.279 ( 0.000 5.281 0.000) 5.281 10.502 ( -0.000 -0.671 0.000) 0.671 10.681 ( 0.000 11.605 0.000) 11.605 11.157 ( 0.000 2.004 0.000) 2.004 12.051 ( 0.000 16.157 0.000) 16.157 12.233 ( 0.000 11.427 0.000) 11.427 12.621 ( -0.000 -2.262 0.000) 2.262 12.677 ( 0.000 19.768 0.000) 19.768 13.140 ( -0.000 -6.512 0.000) 6.512 13.252 ( 0.000 1.944 0.000) 1.944 13.338 ( 0.000 3.947 0.000) 3.947 13.519 ( -0.000 -9.265 0.000) 9.265 13.771 ( 0.000 11.728 0.000) 11.728 14.090 ( -0.000 -2.495 0.000) 2.495 14.129 ( 0.000 0.785 0.000) 0.785 14.311 ( 0.000 2.438 0.000) 2.438 14.405 ( 0.000 5.722 0.000) 5.722 14.504 ( -0.000 -0.797 0.000) 0.797 14.819 ( -0.000 -9.062 0.000) 9.062 14.925 ( 0.000 4.036 0.000) 4.036 15.015 ( -0.000 -12.087 0.000) 12.087 15.406 ( -0.000 -22.746 0.000) 22.746 15.481 ( -0.000 -7.886 0.000) 7.886 15.800 ( 0.000 4.004 0.000) 4.004 15.941 ( -0.000 -34.528 0.000) 34.528 16.035 ( -0.000 -5.929 0.000) 5.929 16.450 ( 0.000 3.134 0.000) 3.134 16.707 ( 0.000 3.021 0.000) 3.021 16.830 ( -0.000 -0.568 0.000) 0.568 16.962 ( -0.000 -13.891 0.000) 13.891 17.061 ( -0.000 -25.220 0.000) 25.220 17.264 ( -0.000 -27.437 0.000) 27.437 17.275 ( -0.000 -24.877 0.000) 24.877 17.767 ( 0.000 0.314 0.000) 0.314 19.839 ( 0.000 12.830 0.000) 12.830 19.952 ( 0.000 8.519 0.000) 8.519 20.137 ( 0.000 2.628 0.000) 2.628 20.820 ( 0.000 8.878 0.000) 8.878 20.860 ( 0.000 11.547 0.000) 11.547 21.199 ( -0.000 -4.952 0.000) 4.952 21.773 ( 0.000 8.370 0.000) 8.370 21.803 ( 0.000 6.626 0.000) 6.626 22.063 ( -0.000 -4.729 0.000) 4.729 22.257 ( -0.000 -9.286 0.000) 9.286 ======================= Grid point 60 (35/72) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 2.408 -0.000 0.000) 2.408 2.556 ( -38.510 0.000 0.000) 38.510 2.566 ( 0.699 -0.000 0.000) 0.699 2.629 ( 1.241 -0.000 0.000) 1.241 2.725 ( -16.309 0.000 0.000) 16.309 2.822 ( -12.451 0.000 0.000) 12.451 2.949 ( -0.336 0.000 0.000) 0.336 3.047 ( -10.558 0.000 0.000) 10.558 3.058 ( -0.051 0.000 0.000) 0.051 3.208 ( -13.442 0.000 0.000) 13.442 3.436 ( 3.282 -0.000 0.000) 3.282 3.443 ( -2.385 0.000 0.000) 2.385 5.397 ( -1.185 0.000 0.000) 1.185 5.600 ( 8.096 -0.000 0.000) 8.096 5.631 ( 4.134 -0.000 0.000) 4.134 5.643 ( -0.469 0.000 0.000) 0.469 5.869 ( 9.270 -0.000 0.000) 9.270 6.151 ( 6.048 -0.000 0.000) 6.048 6.191 ( 3.448 -0.000 0.000) 3.448 6.222 ( 0.924 -0.000 0.000) 0.924 6.225 ( 8.021 -0.000 0.000) 8.021 6.226 ( 24.015 -0.000 0.000) 24.015 6.322 ( -1.882 0.000 0.000) 1.882 6.772 ( 16.218 -0.000 0.000) 16.218 6.822 ( -3.016 0.000 0.000) 3.016 6.857 ( -17.380 0.000 0.000) 17.380 7.036 ( 2.426 -0.000 0.000) 2.426 7.188 ( 13.277 -0.000 0.000) 13.277 7.205 ( 4.042 -0.000 0.000) 4.042 7.283 ( 0.149 -0.000 0.000) 0.149 7.416 ( 0.659 -0.000 0.000) 0.659 7.436 ( -3.547 0.000 0.000) 3.547 7.477 ( -5.055 0.000 0.000) 5.055 7.645 ( -14.662 0.000 0.000) 14.662 7.796 ( -9.464 0.000 0.000) 9.464 8.041 ( 20.002 -0.000 0.000) 20.002 8.153 ( 5.024 -0.000 0.000) 5.024 8.191 ( -1.568 0.000 0.000) 1.568 8.197 ( -0.418 0.000 0.000) 0.418 8.268 ( -7.256 0.000 0.000) 7.256 8.825 ( -22.869 0.000 0.000) 22.869 9.873 ( -1.007 0.000 0.000) 1.007 10.006 ( 1.781 -0.000 0.000) 1.781 10.263 ( 3.026 -0.000 0.000) 3.026 10.265 ( 0.610 -0.000 0.000) 0.610 10.428 ( 0.428 -0.000 0.000) 0.428 10.456 ( 0.741 -0.000 0.000) 0.741 10.486 ( -12.912 0.000 0.000) 12.912 11.019 ( 0.376 -0.000 0.000) 0.376 11.184 ( 3.056 -0.000 0.000) 3.056 12.418 ( 15.908 -0.000 0.000) 15.908 12.483 ( 1.750 -0.000 0.000) 1.750 12.798 ( 17.875 -0.000 0.000) 17.875 12.832 ( 0.892 -0.000 0.000) 0.892 12.921 ( -3.643 0.000 0.000) 3.643 13.392 ( -11.994 0.000 0.000) 11.994 13.443 ( -2.414 0.000 0.000) 2.414 13.601 ( -0.728 0.000 0.000) 0.728 13.926 ( 11.899 -0.000 0.000) 11.899 14.045 ( 13.159 -0.000 0.000) 13.159 14.245 ( 1.883 -0.000 0.000) 1.883 14.580 ( 1.950 -0.000 0.000) 1.950 14.601 ( 4.419 -0.000 0.000) 4.419 14.666 ( -10.013 0.000 0.000) 10.013 14.675 ( -10.848 0.000 0.000) 10.848 14.693 ( 6.567 -0.000 0.000) 6.567 14.742 ( -12.122 0.000 0.000) 12.122 14.810 ( -20.134 0.000 0.000) 20.134 15.037 ( -3.816 0.000 0.000) 3.816 15.531 ( -7.082 0.000 0.000) 7.082 15.893 ( 1.377 -0.000 0.000) 1.377 15.916 ( -3.889 0.000 0.000) 3.889 16.324 ( 0.448 -0.000 0.000) 0.448 16.533 ( -2.073 0.000 0.000) 2.073 16.632 ( 0.137 -0.000 0.000) 0.137 16.667 ( 0.908 -0.000 0.000) 0.908 16.765 ( 0.158 -0.000 0.000) 0.158 16.859 ( -11.742 0.000 0.000) 11.742 16.922 ( -14.549 0.000 0.000) 14.549 17.846 ( -10.291 0.000 0.000) 10.291 20.083 ( 1.591 -0.000 0.000) 1.591 20.095 ( 0.865 -0.000 0.000) 0.865 20.172 ( 3.286 -0.000 0.000) 3.286 21.004 ( 0.443 -0.000 0.000) 0.443 21.041 ( 1.068 -0.000 0.000) 1.068 21.141 ( -4.199 0.000 0.000) 4.199 21.929 ( 2.196 -0.000 0.000) 2.196 21.947 ( -2.141 0.000 0.000) 2.141 22.011 ( -1.760 0.000 0.000) 1.760 22.060 ( -1.050 0.000 0.000) 1.050 ======================= Grid point 61 (36/72) ======================= q-point: (-0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 0.000 2.688 0.000) 2.688 2.509 ( -0.000 -31.515 0.000) 31.515 2.609 ( 0.000 0.071 0.000) 0.071 2.726 ( 0.000 0.437 0.000) 0.437 2.747 ( -0.000 -21.962 0.000) 21.962 2.805 ( -0.000 -24.083 0.000) 24.083 2.991 ( -0.000 -1.857 0.000) 1.857 3.074 ( -0.000 -20.507 0.000) 20.507 3.125 ( -0.000 -0.768 0.000) 0.768 3.197 ( -0.000 -21.304 0.000) 21.304 3.389 ( 0.000 4.755 0.000) 4.755 3.475 ( -0.000 -1.847 0.000) 1.847 5.401 ( -0.000 -1.299 0.000) 1.299 5.571 ( 0.000 10.498 0.000) 10.498 5.648 ( 0.000 1.716 0.000) 1.716 5.653 ( -0.000 -1.372 0.000) 1.372 5.923 ( 0.000 1.272 0.000) 1.272 6.007 ( 0.000 14.372 0.000) 14.372 6.194 ( 0.000 5.366 0.000) 5.366 6.275 ( -0.000 -1.117 0.000) 1.117 6.297 ( -0.000 -1.615 0.000) 1.615 6.383 ( -0.000 -7.269 0.000) 7.269 6.539 ( -0.000 -8.113 0.000) 8.113 6.588 ( 0.000 9.326 0.000) 9.326 6.834 ( -0.000 -2.997 0.000) 2.997 6.888 ( 0.000 18.146 0.000) 18.146 6.916 ( -0.000 -3.781 0.000) 3.781 7.224 ( -0.000 -0.485 0.000) 0.485 7.315 ( -0.000 -1.396 0.000) 1.396 7.341 ( -0.000 -1.876 0.000) 1.876 7.415 ( 0.000 2.704 0.000) 2.704 7.434 ( -0.000 -2.921 0.000) 2.921 7.451 ( -0.000 -3.325 0.000) 3.325 7.595 ( -0.000 -10.846 0.000) 10.846 7.712 ( 0.000 1.595 0.000) 1.595 8.192 ( -0.000 -2.682 0.000) 2.682 8.198 ( -0.000 -0.663 0.000) 0.663 8.224 ( -0.000 -3.998 0.000) 3.998 8.246 ( -0.000 -4.377 0.000) 4.377 8.275 ( -0.000 -1.539 0.000) 1.539 8.581 ( 0.000 0.304 0.000) 0.304 9.829 ( 0.000 5.248 0.000) 5.248 10.027 ( -0.000 -1.243 0.000) 1.243 10.276 ( 0.000 0.759 0.000) 0.759 10.279 ( 0.000 0.503 0.000) 0.503 10.345 ( 0.000 6.570 0.000) 6.570 10.389 ( 0.000 4.159 0.000) 4.159 10.468 ( -0.000 -1.076 0.000) 1.076 10.973 ( 0.000 6.917 0.000) 6.917 11.199 ( 0.000 0.898 0.000) 0.898 12.443 ( 0.000 7.526 0.000) 7.526 12.543 ( 0.000 3.081 0.000) 3.081 12.615 ( 0.000 13.497 0.000) 13.497 12.959 ( -0.000 -2.140 0.000) 2.140 13.130 ( -0.000 -18.212 0.000) 18.212 13.289 ( 0.000 0.692 0.000) 0.692 13.401 ( 0.000 0.953 0.000) 0.953 13.402 ( 0.000 23.710 0.000) 23.710 14.042 ( -0.000 -0.939 0.000) 0.939 14.144 ( 0.000 13.061 0.000) 13.061 14.157 ( 0.000 0.812 0.000) 0.812 14.437 ( 0.000 7.622 0.000) 7.622 14.495 ( -0.000 -0.875 0.000) 0.875 14.600 ( 0.000 4.340 0.000) 4.340 14.685 ( -0.000 -0.351 0.000) 0.351 14.787 ( -0.000 -4.774 0.000) 4.774 14.826 ( -0.000 -18.399 0.000) 18.399 14.969 ( -0.000 -31.953 0.000) 31.953 15.005 ( 0.000 1.586 0.000) 1.586 15.441 ( 0.000 4.288 0.000) 4.288 15.877 ( 0.000 1.485 0.000) 1.485 15.920 ( -0.000 -2.487 0.000) 2.487 16.450 ( -0.000 -16.509 0.000) 16.509 16.510 ( 0.000 1.168 0.000) 1.168 16.711 ( -0.000 -11.287 0.000) 11.287 16.713 ( -0.000 -5.326 0.000) 5.326 16.767 ( 0.000 1.238 0.000) 1.238 16.815 ( -0.000 -7.758 0.000) 7.758 16.820 ( -0.000 -0.175 0.000) 0.175 17.774 ( 0.000 0.153 0.000) 0.153 20.067 ( 0.000 3.846 0.000) 3.846 20.087 ( 0.000 2.037 0.000) 2.037 20.187 ( 0.000 1.205 0.000) 1.205 20.985 ( 0.000 2.887 0.000) 2.887 21.070 ( -0.000 -2.890 0.000) 2.890 21.082 ( 0.000 4.268 0.000) 4.268 21.916 ( 0.000 2.284 0.000) 2.284 21.959 ( -0.000 -2.218 0.000) 2.218 21.974 ( 0.000 3.673 0.000) 3.673 22.074 ( -0.000 -3.088 0.000) 3.088 ======================= Grid point 121 (37/72) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 0.000 0.000 37.241) 37.241 0.834 ( 0.000 0.000 38.335) 38.335 1.557 ( 0.000 0.000 -32.236) 32.236 1.606 ( 0.000 0.000 -34.062) 34.062 1.723 ( 0.000 0.000 80.112) 80.112 2.659 ( 0.000 0.000 19.511) 19.511 2.802 ( 0.000 0.000 21.838) 21.838 3.046 ( 0.000 0.000 -15.171) 15.171 3.213 ( 0.000 0.000 -16.469) 16.469 3.362 ( 0.000 0.000 -72.712) 72.712 3.531 ( 0.000 0.000 5.039) 5.039 3.695 ( 0.000 0.000 4.391) 4.391 3.707 ( 0.000 0.000 11.137) 11.137 4.150 ( 0.000 0.000 -21.637) 21.637 4.668 ( 0.000 0.000 25.868) 25.868 5.351 ( 0.000 0.000 -26.861) 26.861 5.434 ( 0.000 0.000 35.075) 35.075 5.533 ( 0.000 0.000 -6.675) 6.675 5.862 ( 0.000 0.000 -3.857) 3.857 6.016 ( 0.000 0.000 4.893) 4.893 6.199 ( 0.000 0.000 -36.417) 36.417 6.455 ( 0.000 0.000 1.104) 1.104 6.541 ( 0.000 0.000 27.808) 27.808 6.570 ( 0.000 0.000 4.700) 4.700 6.608 ( 0.000 0.000 -0.084) 0.084 6.714 ( 0.000 0.000 3.203) 3.203 6.727 ( 0.000 0.000 0.810) 0.810 7.480 ( 0.000 0.000 24.499) 24.499 7.494 ( 0.000 0.000 1.599) 1.599 7.683 ( 0.000 0.000 -2.176) 2.176 7.687 ( 0.000 0.000 0.654) 0.654 7.787 ( 0.000 0.000 33.132) 33.132 7.906 ( 0.000 0.000 -27.791) 27.791 8.096 ( 0.000 0.000 0.354) 0.354 8.138 ( 0.000 0.000 1.054) 1.054 8.232 ( 0.000 0.000 -9.845) 9.845 8.236 ( 0.000 0.000 -1.380) 1.380 8.394 ( 0.000 0.000 -8.902) 8.902 8.518 ( 0.000 0.000 -30.299) 30.299 9.046 ( 0.000 0.000 11.359) 11.359 9.099 ( 0.000 0.000 13.930) 13.930 9.320 ( 0.000 0.000 -11.620) 11.620 9.347 ( 0.000 0.000 -7.402) 7.402 9.425 ( 0.000 0.000 -4.547) 4.547 9.584 ( 0.000 0.000 14.432) 14.432 9.992 ( 0.000 0.000 14.405) 14.405 10.264 ( 0.000 0.000 -5.088) 5.088 10.416 ( 0.000 0.000 -9.328) 9.328 10.920 ( 0.000 0.000 6.886) 6.886 11.112 ( 0.000 0.000 -2.933) 2.933 11.828 ( 0.000 0.000 5.566) 5.566 12.408 ( 0.000 0.000 -9.151) 9.151 12.550 ( 0.000 0.000 -3.627) 3.627 13.116 ( 0.000 0.000 4.713) 4.713 13.163 ( 0.000 0.000 4.517) 4.517 13.875 ( 0.000 0.000 -0.228) 0.228 14.144 ( 0.000 0.000 -0.830) 0.830 14.273 ( 0.000 0.000 1.639) 1.639 14.293 ( 0.000 0.000 -0.110) 0.110 14.528 ( 0.000 0.000 -3.945) 3.945 15.384 ( 0.000 0.000 0.377) 0.377 15.399 ( 0.000 0.000 1.290) 1.290 15.451 ( 0.000 0.000 2.197) 2.197 15.612 ( 0.000 0.000 -3.818) 3.818 15.802 ( 0.000 0.000 1.605) 1.605 16.117 ( 0.000 0.000 -0.286) 0.286 16.122 ( 0.000 0.000 0.355) 0.355 16.330 ( 0.000 0.000 -0.939) 0.939 16.453 ( 0.000 0.000 0.114) 0.114 16.704 ( 0.000 0.000 1.118) 1.118 16.805 ( 0.000 0.000 -0.664) 0.664 16.852 ( 0.000 0.000 -1.699) 1.699 16.909 ( 0.000 0.000 -0.017) 0.017 16.995 ( 0.000 0.000 1.597) 1.597 17.130 ( 0.000 0.000 3.368) 3.368 17.346 ( 0.000 0.000 -0.409) 0.409 17.471 ( 0.000 0.000 -4.085) 4.085 17.588 ( 0.000 0.000 -0.230) 0.230 17.674 ( 0.000 0.000 1.147) 1.147 17.754 ( 0.000 0.000 0.000) 0.000 19.279 ( 0.000 0.000 1.043) 1.043 19.342 ( 0.000 0.000 1.268) 1.268 19.558 ( 0.000 0.000 -1.928) 1.928 20.491 ( 0.000 0.000 -2.275) 2.275 20.709 ( 0.000 0.000 5.104) 5.104 20.865 ( 0.000 0.000 -5.626) 5.626 21.198 ( 0.000 0.000 5.229) 5.229 21.841 ( 0.000 0.000 -5.926) 5.926 22.229 ( 0.000 0.000 7.765) 7.765 22.360 ( 0.000 0.000 -4.283) 4.283 ======================= Grid point 122 (38/72) ======================= q-point: ( 0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 22.055 -13.653 28.289) 38.381 1.376 ( 18.524 -45.281 20.696) 53.121 1.756 ( 14.015 -8.054 -30.291) 34.334 1.893 ( 10.605 -32.093 -25.621) 42.413 2.082 ( 31.090 -15.693 65.013) 73.753 2.810 ( -0.096 -19.196 17.421) 25.923 2.874 ( 8.733 -2.854 19.237) 21.319 3.154 ( -1.450 -16.733 -13.426) 21.502 3.260 ( 7.355 0.117 -14.575) 16.326 3.522 ( 9.123 -4.948 -40.344) 41.658 3.575 ( 3.734 -8.897 -18.479) 20.847 3.703 ( 3.619 1.088 1.113) 3.939 3.824 ( 8.494 -8.217 9.310) 15.045 4.235 ( 6.147 -6.285 -19.819) 21.681 4.619 ( -3.278 2.301 26.030) 26.337 5.307 ( -2.572 1.656 -26.894) 27.067 5.444 ( 0.752 -1.059 30.685) 30.713 5.560 ( -0.137 -2.821 -5.707) 6.367 5.789 ( -13.180 -0.314 -3.002) 13.522 6.017 ( -0.671 0.609 4.230) 4.326 6.172 ( -2.096 2.719 -31.782) 31.967 6.440 ( -6.265 -0.825 13.744) 15.127 6.504 ( -13.717 -2.913 3.807) 14.530 6.657 ( -1.336 -11.065 10.111) 15.049 6.747 ( -1.299 -7.056 3.662) 8.055 6.818 ( 16.538 -0.923 6.452) 17.776 7.129 ( 15.698 -6.942 -11.108) 20.446 7.493 ( -0.878 -4.744 14.333) 15.123 7.593 ( -0.863 -12.776 4.405) 13.541 7.665 ( -4.485 -2.732 8.988) 10.410 7.773 ( 1.280 -0.069 18.440) 18.484 7.904 ( 14.669 -5.556 -13.920) 20.972 7.965 ( 6.950 -6.549 -17.705) 20.116 8.066 ( -1.142 2.572 0.659) 2.891 8.147 ( 2.982 0.900 -4.928) 5.830 8.205 ( -1.151 2.195 -2.962) 3.862 8.248 ( 3.106 -4.682 -12.813) 13.990 8.488 ( -0.654 1.816 -28.057) 28.123 8.530 ( 16.286 -3.168 -12.486) 20.764 9.003 ( -3.479 1.605 6.784) 7.791 9.029 ( -0.358 7.955 10.089) 12.852 9.267 ( -1.883 8.996 -6.592) 11.311 9.334 ( -6.041 0.274 -6.086) 8.579 9.457 ( 9.826 -1.745 -9.964) 14.103 9.545 ( -2.895 2.352 13.260) 13.774 10.051 ( 6.562 -1.772 14.797) 16.283 10.306 ( 3.933 -1.633 -5.847) 7.233 10.360 ( -4.118 3.655 -9.815) 11.254 10.889 ( -2.297 2.273 7.491) 8.158 11.089 ( -1.939 1.371 -3.145) 3.941 11.849 ( 2.973 0.086 5.435) 6.196 12.391 ( 1.098 4.332 -7.841) 9.025 12.504 ( -9.766 -2.152 -2.467) 10.301 13.125 ( -0.085 -0.690 5.407) 5.451 13.165 ( 3.584 3.021 6.508) 8.020 13.779 ( -16.968 32.825 22.348) 43.184 13.849 ( 0.735 8.529 0.671) 8.587 14.078 ( -16.968 3.130 4.880) 17.931 14.250 ( -5.712 0.779 -1.825) 6.047 14.515 ( -2.412 -1.110 -3.553) 4.436 15.113 ( -26.437 30.153 26.438) 48.032 15.348 ( -1.347 9.011 -0.378) 9.119 15.375 ( -2.791 10.383 0.790) 10.781 15.391 ( -4.294 1.248 0.234) 4.478 15.549 ( -11.128 13.992 -0.805) 17.896 15.748 ( -6.555 17.103 1.336) 18.364 15.863 ( -8.378 27.560 -0.853) 28.818 16.002 ( -14.850 11.138 -2.797) 18.772 16.146 ( -10.974 2.553 1.134) 11.325 16.301 ( -19.390 25.155 0.019) 31.761 16.545 ( 0.432 13.477 -0.165) 13.485 16.733 ( -17.549 -5.989 0.315) 18.546 16.904 ( 1.974 -2.553 -0.487) 3.264 17.165 ( -7.916 -12.861 0.652) 15.116 17.339 ( -3.456 -23.034 5.507) 23.934 17.498 ( 17.338 -14.514 -5.035) 23.165 17.658 ( 1.077 -6.693 9.279) 11.492 17.793 ( 11.692 -17.348 -3.691) 21.243 17.924 ( 10.535 -22.443 1.154) 24.819 18.078 ( 22.757 -4.659 -0.581) 23.236 19.303 ( 0.847 5.127 0.255) 5.203 19.384 ( 6.766 0.378 4.209) 7.977 19.723 ( 5.765 -2.035 -6.701) 9.071 20.400 ( -4.602 8.642 -3.272) 10.323 20.738 ( 3.688 3.476 11.617) 12.675 21.055 ( 5.554 -4.186 -7.933) 10.550 21.401 ( 22.317 -3.028 -17.884) 28.758 21.834 ( 0.885 1.692 -5.709) 6.020 22.225 ( -0.075 0.652 7.744) 7.772 22.361 ( -0.161 -0.404 -4.390) 4.412 ======================= Grid point 123 (39/72) ======================= q-point: ( 0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 27.000 -18.588 19.130) 37.954 2.148 ( 24.460 -11.578 -22.970) 35.496 2.301 ( 20.760 -45.873 8.914) 51.135 2.581 ( 13.064 -40.860 -15.604) 45.647 2.824 ( 38.309 -17.976 41.339) 59.157 3.018 ( 12.170 -3.442 14.084) 18.929 3.207 ( 3.618 -27.435 8.983) 29.095 3.388 ( 10.081 -4.719 -8.351) 13.915 3.481 ( 3.817 -24.345 -5.232) 25.192 3.605 ( -0.788 -7.673 -1.462) 7.851 3.688 ( 2.337 -0.740 2.217) 3.305 4.026 ( 20.883 -15.219 -37.272) 45.353 4.147 ( 16.081 -13.788 1.816) 21.260 4.483 ( 11.726 -11.621 -16.388) 23.262 4.536 ( -3.415 2.071 20.661) 21.044 5.237 ( -4.589 1.556 -28.702) 29.108 5.467 ( -3.184 -0.932 14.716) 15.086 5.539 ( -19.681 -1.872 4.723) 20.327 5.599 ( -0.946 -2.921 -4.250) 5.243 5.963 ( -2.421 5.374 3.288) 6.749 6.006 ( -15.672 3.915 -14.315) 21.584 6.324 ( -11.741 -6.199 -8.238) 15.625 6.467 ( -4.606 -4.793 15.476) 16.843 6.717 ( -5.844 -0.620 4.942) 7.678 6.761 ( -9.144 -5.580 3.375) 11.231 6.959 ( 9.689 -1.691 4.463) 10.801 7.256 ( 3.404 3.462 4.184) 6.409 7.512 ( -3.418 -3.144 8.777) 9.930 7.583 ( -6.878 1.683 18.993) 20.270 7.771 ( 2.326 -6.229 3.696) 7.607 7.907 ( -2.183 -8.784 2.787) 9.470 7.940 ( -0.793 3.359 -0.286) 3.463 7.972 ( 3.007 9.505 -3.705) 10.636 8.049 ( 0.283 -1.455 2.030) 2.514 8.137 ( -2.019 2.203 0.268) 3.000 8.195 ( 6.457 -3.519 -1.055) 7.429 8.417 ( -3.506 2.734 -23.328) 23.748 8.543 ( 11.124 -4.727 -17.847) 21.555 8.781 ( 3.234 11.874 7.318) 14.318 8.886 ( 5.082 -0.078 -0.242) 5.088 8.991 ( 0.595 5.441 -1.607) 5.704 9.076 ( -7.566 5.475 -3.218) 9.878 9.349 ( 8.319 -6.146 -20.816) 23.244 9.429 ( -3.745 3.055 6.808) 8.349 9.697 ( 16.175 -4.426 -18.933) 25.292 10.187 ( 0.719 0.963 3.000) 3.231 10.220 ( 1.150 1.507 0.161) 1.903 10.416 ( 7.918 -1.804 -6.002) 10.099 10.795 ( -4.537 4.521 9.201) 11.211 11.021 ( -3.900 2.832 -3.827) 6.154 11.899 ( 4.628 0.479 4.920) 6.772 12.239 ( -13.231 8.216 11.816) 19.549 12.375 ( -5.600 2.592 -8.883) 10.816 13.018 ( -6.102 12.101 26.075) 29.387 13.204 ( 4.226 1.262 3.484) 5.620 13.302 ( -1.665 8.868 6.502) 11.122 13.562 ( -10.456 16.093 3.417) 19.493 13.941 ( -0.184 2.713 0.101) 2.721 14.112 ( -9.477 3.688 -5.225) 11.433 14.478 ( -8.586 0.764 -1.194) 8.702 14.615 ( -8.471 9.201 8.950) 15.379 14.901 ( -14.533 24.352 -11.222) 30.499 15.140 ( -17.954 8.851 -0.370) 20.021 15.223 ( -17.948 6.460 4.187) 19.529 15.335 ( -8.094 0.808 0.513) 8.150 15.470 ( -4.398 15.225 0.749) 15.865 15.505 ( -1.561 16.706 -2.604) 16.980 15.605 ( -6.487 19.338 -0.708) 20.410 15.719 ( -13.926 14.054 -0.102) 19.785 16.090 ( -5.713 -1.445 -1.331) 6.041 16.407 ( -5.163 3.077 8.592) 10.485 16.619 ( -2.961 0.366 -9.101) 9.577 17.007 ( 6.158 -3.452 4.621) 8.438 17.347 ( 2.794 -14.542 -3.910) 15.316 17.563 ( -2.826 -5.884 8.059) 10.371 17.702 ( -0.335 -12.131 12.889) 17.703 17.937 ( 20.300 -6.647 -6.350) 22.285 18.024 ( -2.821 -10.868 -14.641) 18.451 18.426 ( 11.955 -22.465 2.421) 25.563 18.474 ( 22.282 -6.428 1.975) 23.275 19.251 ( 5.877 6.492 -1.473) 8.880 19.406 ( 5.902 9.185 3.935) 11.606 19.747 ( -1.203 1.555 -2.696) 3.336 20.157 ( -8.642 12.053 -6.019) 16.006 20.717 ( 2.092 5.068 12.765) 13.893 21.144 ( 3.568 -1.403 7.827) 8.716 21.642 ( 13.738 3.628 -18.508) 23.333 21.827 ( 4.152 4.044 -6.183) 8.475 22.208 ( -1.401 0.319 7.811) 7.942 22.365 ( -1.946 -2.073 -4.839) 5.612 ======================= Grid point 124 (40/72) ======================= q-point: ( 0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( 24.694 -18.438 17.726) 35.552 2.680 ( 27.203 -13.503 -17.633) 35.118 3.123 ( 13.064 -34.852 3.456) 37.380 3.260 ( 17.310 -8.915 3.691) 19.817 3.274 ( 11.775 -28.318 -5.164) 31.100 3.465 ( 24.477 -8.154 11.492) 28.243 3.582 ( 7.102 -7.275 -0.391) 10.174 3.615 ( 4.094 -16.703 1.942) 17.307 3.667 ( 10.221 -2.104 -3.249) 10.930 3.863 ( 9.641 -21.803 1.943) 23.918 4.069 ( 17.331 -30.465 13.406) 37.526 4.367 ( -1.716 -5.382 28.187) 28.748 4.535 ( 15.122 -16.489 0.621) 22.382 4.702 ( 18.388 -15.747 -25.720) 35.322 4.850 ( 14.545 -14.329 -17.974) 27.202 5.127 ( -12.432 -1.807 -24.904) 27.894 5.231 ( -16.619 -1.547 -11.329) 20.173 5.475 ( -7.728 0.405 10.540) 13.076 5.623 ( -0.451 -1.413 -1.707) 2.261 5.679 ( -18.323 1.310 3.422) 18.686 5.855 ( -2.837 7.544 -3.058) 8.620 6.262 ( -11.479 -2.801 -1.846) 11.959 6.368 ( -15.549 -5.165 -3.098) 16.674 6.635 ( -0.256 -0.425 12.757) 12.767 6.769 ( -2.145 -1.547 -2.719) 3.793 7.091 ( 4.228 -0.977 4.710) 6.405 7.170 ( -4.732 4.776 2.749) 7.264 7.435 ( -9.052 3.149 11.896) 15.277 7.493 ( -6.032 -1.308 6.446) 8.925 7.720 ( -12.037 2.139 3.339) 12.673 7.785 ( -5.662 7.502 7.682) 12.139 7.819 ( 1.729 13.045 -5.136) 14.125 7.989 ( -1.094 0.951 -2.404) 2.807 8.097 ( 2.108 -1.442 2.717) 3.729 8.130 ( 3.699 -1.499 0.869) 4.085 8.283 ( -3.061 3.057 -15.942) 16.519 8.377 ( -5.733 -0.797 4.747) 7.486 8.500 ( 0.965 17.705 8.678) 19.741 8.661 ( 1.335 -5.008 -1.661) 5.443 8.731 ( -6.064 14.129 -5.200) 16.231 9.063 ( 6.845 -4.866 -9.861) 12.952 9.178 ( 14.377 -4.825 6.518) 16.506 9.244 ( -4.024 5.454 12.477) 14.199 9.647 ( 8.105 -8.194 -9.833) 15.150 9.932 ( 1.179 3.671 -16.679) 17.119 10.072 ( 8.227 -1.864 -27.669) 28.927 10.369 ( 4.844 -4.657 8.829) 11.096 10.545 ( 4.807 1.954 -1.116) 5.308 10.681 ( 1.328 2.232 10.505) 10.821 10.911 ( -5.204 3.659 -5.160) 8.191 11.933 ( -15.346 4.756 15.272) 22.166 11.953 ( 4.464 1.000 3.924) 6.026 12.253 ( -1.853 8.038 -8.140) 11.589 12.783 ( -8.886 7.021 16.724) 20.198 12.984 ( -7.009 19.677 -2.325) 21.017 13.356 ( 7.553 -2.500 1.738) 8.144 13.442 ( 1.941 -3.943 5.399) 6.961 13.885 ( -1.271 6.616 -1.176) 6.839 13.934 ( -5.536 5.108 -5.789) 9.500 14.229 ( -16.283 3.394 1.729) 16.723 14.421 ( -15.934 7.447 -4.984) 18.281 14.599 ( -5.576 -2.051 0.030) 5.941 14.681 ( -22.841 8.553 -0.481) 24.395 14.873 ( -10.543 14.461 3.535) 18.242 15.138 ( -6.003 11.567 0.713) 13.052 15.172 ( -3.637 20.171 0.300) 20.498 15.321 ( -4.418 11.192 -4.166) 12.734 15.336 ( -1.524 6.342 -1.716) 6.745 15.551 ( -1.754 1.324 0.554) 2.266 16.050 ( -3.530 -2.086 -0.546) 4.137 16.319 ( -1.622 2.759 12.708) 13.105 16.624 ( 3.167 0.170 -13.641) 14.004 17.124 ( 3.180 -2.116 6.690) 7.703 17.483 ( -1.951 1.863 10.858) 11.188 17.621 ( 5.516 -12.577 -4.143) 14.345 17.822 ( -7.520 -5.225 -6.616) 11.297 18.070 ( -1.494 -12.087 -1.371) 12.256 18.345 ( 21.700 -4.611 -10.029) 24.346 18.605 ( -3.818 -0.307 7.956) 8.830 18.878 ( 15.959 -6.244 -2.604) 17.334 19.281 ( 5.282 11.010 3.147) 12.611 19.391 ( 13.646 4.765 12.392) 19.040 19.672 ( -4.581 1.865 -4.250) 6.521 19.924 ( -3.689 4.034 -16.556) 17.435 20.666 ( 0.309 4.468 8.256) 9.393 21.180 ( -0.433 0.069 10.802) 10.811 21.720 ( 7.063 4.286 -5.396) 9.868 21.854 ( 9.707 5.561 -9.305) 14.551 22.175 ( -3.686 -0.479 8.457) 9.237 22.356 ( -3.898 -2.322 -5.567) 7.182 ======================= Grid point 125 (41/72) ======================= q-point: ( 0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( 20.069 -16.003 18.507) 31.644 3.202 ( 20.751 -11.858 -13.980) 27.688 3.449 ( 1.933 -6.904 -2.284) 7.524 3.572 ( 5.484 0.288 -3.774) 6.663 3.595 ( 18.884 -3.022 1.820) 19.210 3.782 ( 4.586 -10.396 5.192) 12.492 3.907 ( 9.069 -14.706 3.938) 17.720 3.928 ( 15.097 -7.290 2.741) 16.987 3.959 ( 7.473 -23.948 -1.951) 25.162 4.248 ( 4.763 -13.767 -0.906) 14.596 4.465 ( 19.607 -4.826 17.405) 26.658 4.755 ( -2.345 -17.821 9.224) 20.203 4.812 ( -0.146 -5.451 2.612) 6.046 5.000 ( 9.732 -20.296 0.064) 22.508 5.082 ( -0.360 -4.842 -8.558) 9.840 5.187 ( -19.350 -1.030 -0.978) 19.402 5.232 ( -0.472 -15.860 -14.957) 21.806 5.330 ( 8.491 -16.624 -23.164) 29.749 5.600 ( 4.796 1.116 1.767) 5.232 5.620 ( 1.530 -0.303 -4.489) 4.752 5.727 ( -0.362 2.393 -4.070) 4.736 6.109 ( -10.010 -3.799 8.770) 13.840 6.321 ( -4.970 -4.155 -9.658) 11.629 6.624 ( -3.228 -0.022 5.944) 6.764 6.727 ( -1.646 3.230 -4.149) 5.509 7.018 ( -7.805 2.958 0.599) 8.368 7.071 ( -2.377 8.099 1.884) 8.649 7.240 ( -12.306 4.908 4.544) 14.006 7.363 ( -12.499 3.458 5.302) 14.010 7.426 ( -16.008 9.498 0.647) 18.625 7.633 ( -1.214 7.578 13.938) 15.911 7.698 ( 2.426 9.011 -0.081) 9.332 7.933 ( -1.977 3.120 -2.618) 4.527 8.012 ( -3.155 8.051 1.689) 8.811 8.132 ( -1.449 5.965 5.910) 8.521 8.168 ( -4.506 4.181 -11.007) 12.607 8.284 ( -0.458 -1.183 6.242) 6.370 8.443 ( -4.988 11.247 -5.635) 13.532 8.481 ( 2.850 -6.079 3.075) 7.385 8.851 ( 5.735 -5.680 4.758) 9.369 9.017 ( -4.929 4.514 11.350) 13.172 9.286 ( 9.408 -2.527 -15.214) 18.066 9.498 ( 14.276 -6.522 3.634) 16.111 9.721 ( -6.413 3.853 -8.021) 10.969 9.843 ( 3.243 -1.613 0.697) 3.689 10.316 ( 12.226 -2.541 -26.872) 29.632 10.384 ( -5.214 4.889 9.396) 11.805 10.492 ( -0.024 -1.926 2.305) 3.004 10.742 ( -3.379 2.307 -3.656) 5.487 10.880 ( 8.748 -2.507 2.004) 9.318 11.718 ( -10.776 0.588 5.989) 12.342 11.991 ( 3.285 1.360 1.971) 4.066 12.127 ( -0.099 7.489 -2.643) 7.942 12.566 ( -11.770 4.217 12.786) 17.883 12.666 ( -3.467 14.892 -1.303) 15.346 13.491 ( 7.303 -2.221 2.055) 7.905 13.581 ( 3.794 -7.684 2.133) 8.831 13.745 ( -4.504 6.333 -0.471) 7.786 13.808 ( -3.360 4.061 -4.815) 7.139 13.987 ( -14.555 1.015 0.800) 14.612 14.174 ( -9.834 4.173 -3.909) 11.376 14.306 ( -15.037 0.930 0.606) 15.078 14.564 ( -6.029 14.011 1.726) 15.351 14.641 ( -0.215 -3.326 -0.910) 3.455 14.873 ( -2.733 14.736 0.191) 14.989 14.938 ( -3.552 8.870 1.334) 9.648 15.130 ( -2.844 8.983 -4.604) 10.487 15.265 ( -2.892 0.829 -0.474) 3.045 15.538 ( 0.678 0.609 0.145) 0.923 16.050 ( -0.979 -2.118 -0.131) 2.337 16.289 ( 1.872 2.137 13.643) 13.936 16.684 ( 4.056 -1.400 -14.674) 15.289 17.091 ( -5.316 4.015 8.379) 10.704 17.491 ( 3.230 -2.028 7.360) 8.289 17.708 ( -6.081 4.012 -14.131) 15.899 17.894 ( 6.698 -14.451 -3.320) 16.270 18.241 ( -4.028 -15.674 3.638) 16.587 18.469 ( -6.542 6.070 7.394) 11.589 18.655 ( 20.034 2.590 -8.389) 21.874 18.935 ( -0.865 12.443 -3.628) 12.990 19.168 ( 4.479 11.879 5.029) 13.655 19.458 ( 2.500 2.572 4.708) 5.919 19.626 ( -3.827 -5.516 7.353) 9.957 20.070 ( 15.504 -7.869 -16.501) 23.970 20.611 ( 0.003 3.476 3.260) 4.765 21.117 ( -6.393 2.435 4.137) 7.995 21.757 ( 6.521 3.246 4.018) 8.319 21.927 ( 9.240 3.393 -8.518) 13.017 22.120 ( -5.151 -0.479 9.645) 10.945 22.322 ( -4.885 -1.616 -6.659) 8.416 ======================= Grid point 126 (42/72) ======================= q-point: ( 0.45 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.267 ( 13.478 -12.282 15.164) 23.716 3.430 ( 1.623 -2.405 -3.823) 4.800 3.514 ( 0.955 1.817 0.971) 2.270 3.599 ( -3.510 4.319 2.941) 6.294 3.803 ( 8.739 -3.458 -6.863) 11.637 3.993 ( 17.751 -5.767 9.078) 20.755 4.133 ( 3.828 -2.411 7.142) 8.455 4.146 ( 2.815 -3.984 -5.618) 7.440 4.333 ( 2.889 -6.116 0.982) 6.835 4.422 ( -1.453 -11.405 -5.082) 12.570 4.573 ( -0.778 -0.414 -8.908) 8.951 4.758 ( 3.470 -1.910 1.402) 4.202 4.826 ( -13.783 2.508 -2.332) 14.202 4.911 ( -9.418 -0.896 2.128) 9.696 5.231 ( 7.984 -5.948 8.622) 13.170 5.326 ( -0.525 -6.855 -0.819) 6.924 5.374 ( -0.702 3.930 4.359) 5.911 5.540 ( 4.086 -8.664 -12.119) 15.448 5.598 ( 1.394 -1.726 -0.820) 2.365 5.893 ( 7.962 -13.053 -15.095) 21.486 5.949 ( 13.905 -9.275 -1.157) 16.755 6.157 ( 3.449 -9.617 4.499) 11.164 6.301 ( -3.154 -1.150 -4.165) 5.350 6.578 ( -2.804 -1.550 1.477) 3.528 6.692 ( 4.855 1.389 -5.145) 7.209 6.809 ( -14.365 9.390 -0.468) 17.168 6.881 ( -4.939 12.123 -5.410) 14.164 6.956 ( -2.350 9.204 -0.225) 9.502 7.050 ( -20.969 4.060 -1.142) 21.389 7.174 ( -3.391 4.246 4.105) 6.810 7.565 ( -0.475 1.654 17.394) 17.479 7.658 ( 3.902 3.290 10.390) 11.576 7.883 ( -1.356 0.361 5.940) 6.103 7.948 ( 0.317 0.971 -10.617) 10.666 8.036 ( -0.771 0.865 -0.367) 1.215 8.086 ( -2.027 1.275 -5.028) 5.569 8.170 ( -5.407 8.227 -5.102) 11.088 8.450 ( 7.499 -5.507 8.325) 12.485 8.591 ( -1.239 -1.519 11.218) 11.388 8.766 ( -5.209 4.160 9.064) 11.251 9.133 ( 7.151 -7.144 -5.764) 11.636 9.336 ( -0.186 5.942 -9.921) 11.566 9.613 ( -2.417 -0.745 -10.229) 10.537 9.710 ( 4.627 -3.374 -5.043) 7.631 9.936 ( 6.175 -1.299 9.903) 11.743 10.191 ( -7.537 4.282 13.343) 15.912 10.479 ( 4.271 -0.031 -16.502) 17.046 10.535 ( 3.920 -1.257 -0.480) 4.144 10.644 ( -5.616 0.801 -10.352) 11.804 11.024 ( 4.702 -1.744 4.684) 6.862 11.617 ( -4.017 -0.383 -1.546) 4.321 12.007 ( 1.159 0.655 0.139) 1.338 12.064 ( 1.018 2.672 1.189) 3.097 12.383 ( -6.271 2.309 13.435) 15.005 12.499 ( -0.908 5.240 -1.433) 5.507 13.589 ( -3.392 -0.604 0.865) 3.552 13.621 ( 5.860 0.716 2.842) 6.552 13.698 ( 0.628 0.050 -1.817) 1.923 13.792 ( 1.048 -1.837 -1.641) 2.677 13.813 ( -8.190 0.126 -0.241) 8.194 14.017 ( -4.824 1.647 -4.426) 6.751 14.230 ( -1.764 -3.566 0.192) 3.983 14.334 ( -3.549 9.549 0.839) 10.222 14.679 ( 1.554 0.158 -0.408) 1.615 14.710 ( -2.470 3.075 -0.275) 3.954 14.820 ( -1.217 3.330 1.894) 4.020 15.009 ( -1.245 3.946 -3.928) 5.705 15.231 ( -1.206 0.055 -0.308) 1.246 15.541 ( 0.445 0.230 0.023) 0.502 16.068 ( -0.006 -1.023 -0.137) 1.032 16.299 ( 1.663 0.660 13.365) 13.484 16.765 ( 3.149 -2.485 -14.318) 14.869 16.947 ( -4.538 4.427 8.124) 10.305 17.530 ( -3.296 -1.719 -10.684) 11.313 17.639 ( 3.120 2.003 0.861) 3.806 18.167 ( 4.043 -10.118 7.037) 12.971 18.351 ( -0.610 -1.970 1.292) 2.434 18.358 ( -1.905 -7.351 -0.013) 7.594 18.598 ( -6.724 16.490 -3.887) 18.227 18.858 ( 8.901 5.698 2.024) 10.761 19.141 ( 5.480 2.073 -2.904) 6.539 19.375 ( -7.738 0.063 -2.142) 8.029 19.712 ( 2.913 -2.709 6.970) 8.026 20.346 ( 7.575 -3.914 2.851) 8.990 20.606 ( 3.775 -0.288 -6.038) 7.127 20.964 ( -7.631 3.319 -3.832) 9.161 21.802 ( 3.721 1.174 6.917) 7.941 21.997 ( 4.610 0.733 -5.200) 6.988 22.059 ( -3.577 0.119 10.419) 11.017 22.280 ( -2.833 -0.637 -7.967) 8.480 ======================= Grid point 133 (43/72) ======================= q-point: ( 0.09 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 14.388 -0.000 28.641) 32.052 1.533 ( 32.232 -0.000 29.270) 43.539 1.663 ( 7.278 -0.000 -28.388) 29.306 2.106 ( 28.800 -0.000 -25.563) 38.508 2.651 ( 55.877 -0.000 43.535) 70.835 2.652 ( -0.383 0.000 18.169) 18.174 3.009 ( -2.395 0.000 -14.744) 14.938 3.024 ( 14.072 -0.000 14.809) 20.429 3.411 ( 14.303 -0.000 -9.872) 17.379 3.489 ( -2.857 0.000 5.356) 6.071 3.689 ( 5.773 -0.000 -12.050) 13.361 3.875 ( 27.498 -0.000 -42.016) 50.214 3.935 ( 15.717 -0.000 8.000) 17.636 4.312 ( 11.601 -0.000 -17.897) 21.328 4.579 ( -4.409 0.000 24.214) 24.612 5.281 ( -3.500 0.000 -32.854) 33.040 5.440 ( 0.565 -0.000 30.222) 30.227 5.517 ( -24.700 0.000 -2.225) 24.800 5.546 ( 1.036 -0.000 -5.212) 5.314 6.010 ( -0.974 0.000 -1.383) 1.692 6.124 ( -28.149 0.000 3.606) 28.379 6.182 ( -0.551 0.000 -26.997) 27.003 6.427 ( -10.444 0.000 18.023) 20.830 6.531 ( 5.471 -0.000 1.432) 5.655 6.715 ( 0.146 -0.000 3.146) 3.149 7.027 ( -0.888 0.000 14.070) 14.098 7.296 ( 20.781 -0.000 10.696) 23.372 7.473 ( -3.663 0.000 6.652) 7.594 7.544 ( 6.814 -0.000 2.452) 7.241 7.548 ( -6.402 0.000 5.482) 8.428 7.761 ( -2.142 0.000 13.057) 13.232 7.983 ( 1.745 -0.000 -5.883) 6.136 8.058 ( -2.931 0.000 4.399) 5.285 8.099 ( 5.453 -0.000 -0.209) 5.457 8.191 ( -3.004 0.000 0.497) 3.045 8.227 ( -0.409 0.000 -10.126) 10.135 8.344 ( 27.285 -0.000 -28.971) 39.797 8.459 ( -4.238 0.000 -27.433) 27.759 8.747 ( 12.898 -0.000 -7.446) 14.893 8.979 ( -0.019 0.000 -2.579) 2.579 9.076 ( -1.946 0.000 13.719) 13.856 9.233 ( -0.208 0.000 -14.322) 14.324 9.314 ( -2.786 0.000 -6.438) 7.015 9.497 ( -6.136 0.000 13.813) 15.115 9.634 ( 17.095 -0.000 -16.497) 23.757 10.138 ( 7.509 -0.000 15.732) 17.432 10.302 ( -7.634 0.000 -10.465) 12.954 10.391 ( 9.743 -0.000 -6.698) 11.823 10.864 ( -3.739 0.000 7.814) 8.662 11.065 ( -3.010 0.000 -3.082) 4.308 11.908 ( 5.281 -0.000 5.144) 7.372 12.290 ( -19.743 0.000 2.796) 19.940 12.450 ( 2.874 -0.000 -8.149) 8.641 13.115 ( -1.162 0.000 5.262) 5.389 13.249 ( 5.890 -0.000 3.605) 6.906 13.550 ( -31.593 0.000 42.815) 53.209 13.936 ( 4.225 -0.000 0.244) 4.232 14.123 ( -1.395 0.000 -1.121) 1.790 14.132 ( -12.213 0.000 -6.591) 13.878 14.437 ( -17.217 0.000 -1.903) 17.322 14.581 ( -30.859 0.000 5.741) 31.388 15.234 ( -22.153 0.000 -2.496) 22.293 15.259 ( -30.791 0.000 0.871) 30.803 15.336 ( -21.082 0.000 1.331) 21.124 15.431 ( 3.319 -0.000 0.369) 3.339 15.649 ( -17.199 0.000 11.562) 20.724 15.905 ( -22.216 0.000 -6.090) 23.035 16.016 ( -14.089 0.000 -4.159) 14.691 16.141 ( 1.377 -0.000 0.343) 1.419 16.345 ( -14.163 0.000 2.596) 14.399 16.354 ( 1.728 -0.000 -0.976) 1.985 16.696 ( -0.567 0.000 1.156) 1.288 16.799 ( -0.471 0.000 -0.656) 0.808 16.899 ( -2.643 0.000 -1.692) 3.138 17.131 ( -1.734 0.000 2.216) 2.813 17.584 ( -3.770 0.000 10.126) 10.805 17.774 ( 5.115 -0.000 -5.698) 7.657 17.870 ( 33.464 -0.000 -1.615) 33.503 18.112 ( 28.043 -0.000 0.298) 28.045 18.404 ( 27.952 -0.000 -0.709) 27.961 19.348 ( 1.925 -0.000 -0.286) 1.946 19.507 ( 8.270 -0.000 6.782) 10.695 19.757 ( -0.309 0.000 -6.574) 6.581 20.344 ( -11.195 0.000 -4.142) 11.937 20.790 ( 0.908 -0.000 13.468) 13.498 21.109 ( 5.552 -0.000 -0.848) 5.616 21.686 ( 15.459 -0.000 -19.885) 25.187 21.859 ( 1.232 -0.000 -6.153) 6.275 22.242 ( 1.454 -0.000 8.657) 8.778 22.399 ( 3.655 -0.000 -6.332) 7.311 ======================= Grid point 134 (44/72) ======================= q-point: ( 0.18 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 15.881 -41.341 15.881) 47.047 2.031 ( 9.574 -32.562 -21.482) 40.168 2.060 ( 28.548 -15.170 27.409) 42.383 2.563 ( 29.710 -7.351 -19.882) 36.497 2.810 ( 0.783 -21.973 13.845) 25.983 3.087 ( -1.628 -16.222 -11.722) 20.080 3.255 ( 18.529 -1.617 8.535) 20.465 3.418 ( 42.292 -1.958 20.463) 47.024 3.482 ( 0.814 -5.725 6.133) 8.429 3.628 ( 14.486 -0.364 -2.474) 14.700 3.758 ( 12.242 0.108 0.689) 12.262 4.218 ( 20.942 -4.463 1.242) 21.449 4.333 ( 26.601 -3.655 -16.815) 31.682 4.524 ( 2.148 0.128 5.786) 6.173 4.554 ( 15.955 -6.278 -15.011) 22.788 5.148 ( -20.746 0.480 -12.132) 24.038 5.235 ( -7.705 1.323 -23.905) 25.151 5.461 ( 0.225 -1.193 22.600) 22.633 5.575 ( 1.225 -1.321 -4.054) 4.436 5.709 ( -29.125 1.009 2.279) 29.231 5.975 ( -3.210 1.579 -7.757) 8.542 6.193 ( -2.745 -1.618 -10.327) 10.808 6.238 ( -17.413 -3.458 2.206) 17.890 6.653 ( 4.831 -3.458 2.672) 6.515 6.702 ( -0.139 1.767 5.579) 5.854 7.007 ( 1.232 -2.828 16.840) 17.121 7.312 ( -6.738 5.217 8.824) 12.267 7.448 ( -5.837 0.652 9.747) 11.380 7.499 ( -6.803 -0.159 1.414) 6.950 7.702 ( -0.452 -2.869 5.849) 6.531 7.750 ( 1.188 -8.806 5.157) 10.274 7.959 ( -3.386 3.258 5.126) 6.954 8.015 ( -1.417 -2.384 3.661) 4.593 8.102 ( -4.220 -0.349 1.824) 4.611 8.151 ( 1.592 8.055 -6.556) 10.507 8.244 ( 4.477 -2.034 4.940) 6.970 8.379 ( -6.050 1.297 -23.498) 24.299 8.591 ( -6.022 -1.204 -14.068) 15.350 8.806 ( 8.397 -3.788 -12.160) 15.256 8.975 ( -2.609 8.499 12.672) 15.480 9.085 ( 13.496 -1.085 -2.269) 13.728 9.192 ( -2.210 8.772 -4.307) 10.019 9.373 ( -6.700 2.783 12.931) 14.828 9.447 ( 14.671 -5.232 -11.704) 19.483 9.910 ( 20.537 -1.671 -28.801) 35.413 10.158 ( -8.747 3.458 -10.978) 14.456 10.253 ( 5.554 -2.946 9.312) 11.235 10.552 ( 12.564 -0.346 -2.629) 12.841 10.786 ( -4.488 3.026 9.229) 10.699 11.005 ( -3.662 2.311 -3.599) 5.630 11.972 ( -13.397 0.559 6.971) 15.113 11.990 ( -4.487 -0.019 6.164) 7.624 12.461 ( 3.093 4.901 -6.628) 8.804 12.999 ( -13.390 5.943 23.839) 27.980 13.261 ( -1.593 0.301 15.457) 15.542 13.348 ( 5.229 -0.219 3.611) 6.359 13.685 ( -14.797 21.406 -8.206) 27.286 14.002 ( 2.175 1.139 -1.609) 2.936 14.015 ( -8.101 2.686 -4.077) 9.459 14.222 ( -18.293 -6.751 -0.587) 19.508 14.503 ( -4.005 -2.529 0.215) 4.742 14.573 ( -43.729 1.817 -0.381) 43.768 14.856 ( -31.451 3.200 -1.831) 31.666 15.156 ( -11.479 0.016 0.554) 11.493 15.342 ( -6.043 13.019 3.189) 14.703 15.497 ( 0.820 0.586 2.016) 2.254 15.642 ( -7.435 10.039 -5.170) 13.520 15.812 ( -7.552 11.671 -0.234) 13.903 15.942 ( -1.693 23.761 5.305) 24.404 16.093 ( 0.046 11.441 -6.012) 12.924 16.403 ( 0.023 1.153 4.188) 4.344 16.605 ( -1.702 4.123 -5.141) 6.806 16.900 ( -3.138 -13.672 6.445) 15.437 17.045 ( -3.353 -22.596 -5.098) 23.406 17.263 ( -5.534 -20.069 1.116) 20.848 17.520 ( -9.670 -4.415 13.094) 16.866 17.817 ( -7.831 -7.170 -12.026) 16.042 18.326 ( 31.986 0.273 -1.112) 32.007 18.461 ( 13.206 -3.674 0.811) 13.732 18.798 ( 27.701 -0.362 -0.075) 27.704 19.403 ( 9.045 1.619 0.620) 9.209 19.544 ( -2.346 1.425 9.026) 9.434 19.738 ( 2.673 3.044 -7.578) 8.593 20.128 ( -13.304 5.262 -8.875) 16.836 20.787 ( 2.125 2.835 11.626) 12.154 21.175 ( 2.680 -0.572 7.574) 8.054 21.806 ( 4.197 0.952 -10.011) 10.897 21.886 ( 2.070 -1.794 -9.095) 9.499 22.243 ( 1.557 3.516 9.076) 9.857 22.412 ( 3.183 5.195 -6.427) 8.855 ======================= Grid point 135 (45/72) ======================= q-point: ( 0.27 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 20.590 -27.722 13.345) 37.021 2.678 ( 13.005 -35.227 -13.785) 40.002 2.712 ( 15.583 -35.921 17.604) 42.931 3.058 ( 16.000 -17.970 -8.109) 25.390 3.223 ( 9.330 -24.024 -1.300) 25.805 3.403 ( 0.441 -29.669 -2.605) 29.786 3.535 ( -1.492 -13.043 0.446) 13.136 3.575 ( 22.523 -3.896 4.402) 23.277 3.664 ( 0.704 -1.345 -3.049) 3.406 3.907 ( 21.456 -2.627 4.101) 22.002 4.138 ( 14.190 -3.046 17.158) 22.473 4.492 ( 21.329 0.640 21.847) 30.539 4.606 ( 18.484 -7.665 -1.102) 20.041 4.743 ( 1.699 -4.794 -6.058) 7.910 4.868 ( 7.637 -5.445 -8.723) 12.809 4.979 ( 6.291 -4.626 -28.299) 29.357 5.149 ( -1.368 0.607 -17.938) 18.001 5.269 ( -23.302 2.746 -6.114) 24.247 5.542 ( 2.260 -3.802 12.456) 13.218 5.613 ( 1.549 -1.037 -0.847) 2.048 5.855 ( -8.699 3.486 -5.801) 11.022 6.034 ( -11.273 -3.056 -2.069) 11.862 6.230 ( -0.292 -2.098 -8.904) 9.152 6.660 ( 0.115 3.352 8.917) 9.527 6.747 ( 2.849 -1.170 2.454) 3.938 7.096 ( -4.765 -3.190 9.857) 11.404 7.124 ( -6.436 2.079 4.701) 8.236 7.267 ( -17.719 -1.842 6.091) 18.827 7.391 ( -9.227 2.591 2.907) 10.015 7.578 ( -7.412 5.032 0.387) 8.967 7.806 ( -5.277 3.723 9.233) 11.268 7.910 ( -6.656 -4.270 4.259) 8.982 8.016 ( 1.237 9.632 -6.687) 11.790 8.062 ( -6.387 -0.047 -0.605) 6.415 8.105 ( 2.692 -6.516 1.380) 7.184 8.171 ( -12.154 -4.021 9.754) 16.094 8.256 ( -6.857 2.140 -20.347) 21.578 8.634 ( 8.377 -4.186 4.266) 10.290 8.740 ( -1.418 14.249 9.961) 17.443 8.917 ( -1.909 14.404 -7.043) 16.146 9.120 ( 7.607 -2.611 -7.047) 10.694 9.198 ( -4.940 2.289 6.365) 8.376 9.363 ( 14.622 -3.859 -6.282) 16.376 9.709 ( 12.947 -3.189 7.905) 15.501 9.947 ( -8.484 6.440 -11.611) 15.756 10.235 ( 18.394 -2.833 -28.790) 34.282 10.367 ( 4.106 -3.524 0.926) 5.489 10.614 ( -3.287 6.983 6.215) 9.909 10.766 ( 8.435 -1.062 5.707) 10.239 10.907 ( -3.120 4.060 -4.613) 6.892 11.696 ( -17.889 -1.900 6.754) 19.216 12.049 ( 5.753 2.129 3.583) 7.104 12.391 ( 1.619 9.972 -3.065) 10.557 12.715 ( -13.919 6.248 19.658) 24.884 13.176 ( -5.650 18.470 -2.915) 19.533 13.373 ( 1.058 -5.346 3.431) 6.440 13.466 ( 6.882 0.219 -0.459) 6.901 13.857 ( -9.495 1.272 -4.945) 10.780 13.911 ( -14.628 4.146 -0.621) 15.217 14.036 ( -12.413 2.026 -0.230) 12.579 14.184 ( -8.545 -2.569 -0.480) 8.936 14.386 ( -24.729 3.094 0.737) 24.933 14.546 ( -2.274 -3.108 -2.231) 4.450 14.977 ( -9.705 6.821 -0.746) 11.885 15.075 ( -8.282 9.611 1.555) 12.782 15.338 ( -9.152 14.957 -0.257) 17.537 15.483 ( 0.007 12.372 1.516) 12.465 15.536 ( 0.034 14.019 -2.554) 14.249 15.659 ( 2.204 14.549 2.348) 14.901 16.022 ( 0.849 1.439 -3.253) 3.657 16.354 ( 0.206 3.831 9.840) 10.561 16.589 ( -2.561 -4.045 -11.067) 12.059 17.027 ( -4.642 -10.409 6.078) 12.917 17.315 ( -4.345 -18.499 0.582) 19.012 17.377 ( -9.437 -14.987 4.017) 18.160 17.519 ( -10.548 -16.351 2.256) 19.589 17.778 ( -13.450 -11.621 -11.626) 21.239 18.507 ( -7.874 0.013 3.851) 8.765 18.710 ( 24.762 1.421 -2.549) 24.933 19.060 ( 5.084 0.801 -3.958) 6.493 19.461 ( 2.660 5.922 6.919) 9.487 19.511 ( 2.857 -1.508 11.868) 12.299 19.713 ( -0.244 9.666 -2.937) 10.105 20.001 ( 11.829 1.004 -18.711) 22.160 20.772 ( 4.684 6.377 5.650) 9.722 21.184 ( -0.404 1.941 9.426) 9.632 21.821 ( 1.017 0.305 -1.093) 1.524 21.959 ( 2.552 -3.568 -10.384) 11.273 22.186 ( -0.304 5.947 8.768) 10.599 22.354 ( 0.121 6.119 -5.370) 8.142 ======================= Grid point 136 (46/72) ======================= q-point: ( 0.36 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.907 ( 18.310 -14.924 16.353) 28.730 3.193 ( 6.914 -17.250 -0.584) 18.594 3.376 ( 10.716 -27.275 -1.514) 29.343 3.526 ( 5.054 -31.878 -2.391) 32.365 3.539 ( 4.543 -12.240 -4.308) 13.749 3.600 ( 0.329 -2.872 -7.908) 8.420 3.810 ( 6.095 -6.688 3.041) 9.546 3.918 ( 4.297 -24.177 -0.431) 24.560 3.996 ( 20.977 -12.968 2.577) 24.796 4.219 ( 7.745 -8.625 18.408) 21.754 4.270 ( 5.154 -19.419 12.885) 23.868 4.530 ( -12.883 -2.639 -2.331) 13.355 4.839 ( -5.971 -1.334 -3.888) 7.249 4.879 ( -8.086 -4.502 -17.776) 20.041 4.959 ( -6.034 -2.301 -6.586) 9.224 5.008 ( 11.069 -6.014 -1.280) 12.662 5.147 ( 15.548 -4.265 3.301) 16.457 5.376 ( 15.401 -5.924 -12.240) 20.545 5.632 ( 1.250 -1.358 -3.676) 4.114 5.651 ( -0.727 -0.661 3.087) 3.240 5.838 ( 15.447 -1.044 -3.055) 15.780 5.995 ( -0.781 -2.831 -2.874) 4.109 6.252 ( 0.124 -1.549 -4.578) 4.835 6.583 ( -6.522 2.604 2.539) 7.467 6.753 ( -2.512 2.100 2.951) 4.408 6.873 ( -12.151 0.281 -2.664) 12.442 7.079 ( -24.624 -0.184 2.152) 24.719 7.095 ( -8.916 -1.056 5.387) 10.470 7.172 ( -2.434 7.336 1.955) 7.973 7.407 ( -4.629 7.388 -0.711) 8.747 7.676 ( -4.287 4.253 13.372) 14.673 7.780 ( -6.113 0.529 3.261) 6.948 7.922 ( -0.693 5.228 0.352) 5.285 7.972 ( -2.821 -0.490 -7.269) 7.813 8.122 ( -6.292 1.223 -13.101) 14.585 8.217 ( 3.393 -4.300 3.509) 6.505 8.263 ( -0.903 -3.328 11.737) 12.233 8.485 ( -0.378 8.689 9.341) 12.763 8.637 ( -3.595 17.274 -5.134) 18.376 8.862 ( 3.355 -1.948 5.078) 6.390 8.992 ( -3.855 1.173 9.398) 10.225 9.383 ( 11.692 -3.509 -14.781) 19.170 9.588 ( 8.288 -4.633 -9.480) 13.418 9.704 ( -7.702 7.152 -10.456) 14.825 9.926 ( 11.760 -0.052 14.972) 19.039 10.389 ( -4.617 7.418 9.710) 13.062 10.467 ( 4.204 -1.686 2.079) 4.984 10.504 ( 10.354 1.031 -25.103) 27.174 10.737 ( -4.478 5.716 -5.540) 9.134 10.961 ( 7.298 -2.628 3.993) 8.725 11.558 ( -7.826 -3.489 1.483) 8.696 12.077 ( 4.068 3.654 2.200) 5.894 12.259 ( 0.684 10.345 1.095) 10.426 12.473 ( -10.413 4.400 12.915) 17.164 12.851 ( -3.127 18.339 -2.188) 18.732 13.494 ( -1.185 -6.821 -0.217) 6.927 13.568 ( 4.996 -1.928 1.770) 5.640 13.698 ( -5.442 -0.873 0.131) 5.513 13.757 ( -5.636 -1.068 -4.639) 7.377 13.861 ( -6.706 3.957 0.556) 7.806 14.063 ( -15.467 1.226 -0.853) 15.539 14.194 ( 2.499 0.146 -0.462) 2.545 14.585 ( 0.021 -3.035 -0.282) 3.048 14.706 ( -5.808 14.287 -2.011) 15.552 14.880 ( -10.302 1.510 1.652) 10.542 15.004 ( -8.224 14.669 -0.088) 16.817 15.251 ( -2.528 13.535 0.102) 13.769 15.403 ( 4.851 12.149 -1.043) 13.123 15.600 ( 3.289 4.096 0.510) 5.278 16.046 ( 2.765 -0.560 -1.214) 3.071 16.321 ( -0.330 1.227 11.994) 12.061 16.617 ( -4.448 -6.840 -12.218) 14.692 16.997 ( -10.700 -1.462 4.592) 11.735 17.347 ( -9.772 -10.486 6.118) 15.584 17.538 ( -11.550 -11.847 -7.458) 18.149 17.636 ( -2.741 -24.587 -2.111) 24.829 17.853 ( -10.657 -22.076 -2.182) 24.611 18.320 ( -17.280 0.094 4.237) 17.792 18.806 ( -15.715 0.817 -2.591) 15.948 19.033 ( 4.866 4.777 -2.175) 7.157 19.342 ( 0.064 7.282 10.608) 12.867 19.560 ( 1.854 10.765 -8.004) 13.542 19.656 ( 11.638 -0.305 3.960) 12.297 20.297 ( 23.429 -1.004 -5.233) 24.027 20.741 ( 6.019 8.238 -0.797) 10.233 21.098 ( -4.167 6.260 3.100) 8.134 21.853 ( 2.863 -1.298 5.616) 6.436 22.044 ( 3.514 -1.996 -8.658) 9.555 22.082 ( -2.977 5.101 8.577) 10.414 22.258 ( -3.995 3.603 -5.260) 7.524 ======================= Grid point 137 (47/72) ======================= q-point: ( 0.45 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.262 ( 6.345 -10.674 4.502) 13.209 3.412 ( 6.950 -6.620 10.052) 13.899 3.507 ( -4.438 -0.280 -2.870) 5.293 3.596 ( -7.696 7.005 9.428) 14.042 3.816 ( 1.197 -17.277 4.662) 17.934 3.890 ( 3.108 -6.965 -4.935) 9.084 4.065 ( -17.891 -3.653 4.804) 18.882 4.085 ( -0.182 -16.175 -4.216) 16.716 4.165 ( -0.324 -15.159 -9.901) 18.109 4.367 ( 9.124 -0.515 4.774) 10.310 4.597 ( -10.627 0.019 -9.260) 14.095 4.682 ( 14.434 -11.699 0.963) 18.604 4.742 ( 3.870 -15.550 3.920) 16.497 4.845 ( 6.713 -0.146 1.410) 6.861 5.113 ( -2.076 -22.573 -8.575) 24.236 5.254 ( 5.846 -8.586 1.273) 10.465 5.389 ( 4.882 -4.071 -0.655) 6.390 5.446 ( -2.623 -0.064 -0.117) 2.626 5.613 ( -0.017 2.068 0.304) 2.090 5.821 ( 7.057 -8.723 -12.656) 16.913 6.017 ( 4.190 -2.526 2.481) 5.486 6.090 ( 3.378 -5.058 -1.491) 6.262 6.282 ( 1.281 -0.890 -1.383) 2.084 6.433 ( -9.889 -1.980 -5.549) 11.511 6.630 ( -21.923 -0.391 3.545) 22.211 6.707 ( -6.629 1.978 -2.315) 7.295 6.824 ( 3.153 4.612 -3.501) 6.593 7.046 ( 0.600 0.044 1.862) 1.957 7.072 ( 5.513 5.825 0.204) 8.023 7.272 ( 1.725 8.586 1.080) 8.824 7.577 ( -2.561 3.061 15.659) 16.160 7.797 ( 5.373 3.388 0.493) 6.371 7.869 ( -0.570 0.164 6.936) 6.961 7.953 ( -1.472 0.404 -11.459) 11.560 8.044 ( -3.449 -1.089 -5.435) 6.528 8.108 ( -0.278 8.771 8.297) 12.076 8.272 ( -2.158 9.131 -3.094) 9.880 8.468 ( 4.011 -2.455 6.260) 7.829 8.538 ( -0.400 -4.024 10.668) 11.408 8.715 ( -8.734 2.665 9.890) 13.461 9.123 ( 4.725 -6.021 -7.956) 11.040 9.405 ( -5.337 9.502 -8.471) 13.803 9.612 ( 4.933 -1.147 -11.302) 12.385 9.729 ( 3.335 -2.669 -9.762) 10.655 10.053 ( 6.615 5.524 14.112) 16.536 10.192 ( -2.232 5.938 13.656) 15.058 10.514 ( 1.546 -0.761 -0.132) 1.729 10.570 ( -3.302 5.067 -10.901) 12.466 10.663 ( 6.541 1.388 -13.859) 15.388 11.044 ( 0.410 -0.443 4.612) 4.652 11.570 ( 2.157 -3.452 -2.910) 5.003 12.061 ( 1.661 4.274 1.162) 4.731 12.142 ( -0.308 7.872 0.466) 7.892 12.347 ( -1.147 0.447 13.776) 13.831 12.609 ( -1.042 12.193 -2.062) 12.410 13.495 ( -3.898 -4.149 1.181) 5.814 13.620 ( -2.832 -2.325 -3.053) 4.770 13.729 ( -2.178 2.459 2.482) 4.117 13.776 ( 1.750 -3.370 -1.511) 4.087 13.794 ( 8.280 -0.767 0.700) 8.345 13.941 ( -4.334 -4.086 -3.209) 6.765 14.236 ( 5.097 1.206 -0.674) 5.281 14.432 ( -4.220 11.419 0.237) 12.176 14.653 ( -0.700 -2.866 -1.493) 3.306 14.747 ( -6.326 4.732 1.071) 7.972 14.761 ( -4.854 1.853 0.475) 5.217 15.069 ( -2.027 8.055 -1.048) 8.372 15.348 ( 6.850 7.966 -0.733) 10.532 15.590 ( 2.492 3.533 0.093) 4.324 16.094 ( 3.802 0.681 -0.411) 3.884 16.287 ( -4.241 -0.004 11.863) 12.599 16.662 ( -5.558 -10.057 -9.293) 14.778 16.845 ( -12.695 -1.889 1.640) 12.939 17.346 ( -9.259 -11.228 -4.723) 15.300 17.589 ( -5.045 -8.581 -1.116) 10.017 17.930 ( -3.568 -22.578 3.095) 23.067 18.029 ( -9.423 -22.303 -0.913) 24.229 18.107 ( -18.641 -11.069 2.254) 21.797 18.483 ( -25.465 0.946 -0.964) 25.501 18.864 ( -15.641 4.563 1.156) 16.334 19.373 ( 10.024 10.962 -1.091) 14.895 19.477 ( 10.184 7.611 -3.139) 13.096 19.774 ( 6.361 2.106 4.363) 7.996 20.526 ( 12.177 7.223 8.039) 16.282 20.751 ( 8.895 6.801 -9.156) 14.464 20.935 ( -3.818 3.928 -3.871) 6.708 21.886 ( 1.091 5.668 6.565) 8.742 22.000 ( -1.234 -3.004 10.316) 10.816 22.067 ( -1.141 5.074 -5.257) 7.395 22.208 ( -1.524 -5.157 -7.521) 9.246 ======================= Grid point 138 (48/72) ======================= q-point: (-0.45 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.252 ( -14.253 12.759 12.878) 23.061 3.399 ( -5.601 -0.517 -6.032) 8.248 3.440 ( -5.308 -2.590 0.596) 5.937 3.562 ( -4.334 -1.677 1.612) 4.919 3.682 ( -20.568 5.103 -1.579) 21.250 3.771 ( -9.001 -1.456 8.996) 12.809 4.017 ( -19.461 2.185 2.664) 19.764 4.108 ( -0.939 -10.407 14.791) 18.110 4.314 ( -1.240 1.856 -19.378) 19.506 4.461 ( -2.047 -4.749 -3.292) 6.130 4.549 ( -19.036 -1.363 2.554) 19.255 4.775 ( 10.348 0.173 -3.714) 10.996 4.940 ( 8.705 -1.468 -3.459) 9.482 5.107 ( 16.096 -2.122 1.852) 16.340 5.244 ( 4.009 1.043 4.169) 5.877 5.362 ( 0.856 2.952 4.039) 5.075 5.421 ( 9.259 -0.569 -1.123) 9.344 5.548 ( -4.597 2.194 -14.603) 15.466 5.577 ( 0.188 -5.379 -4.132) 6.785 5.884 ( -8.165 7.294 0.166) 10.950 5.930 ( -7.056 3.401 -7.428) 10.795 6.205 ( 1.094 -2.512 1.184) 2.985 6.344 ( 5.282 -6.393 -2.923) 8.793 6.471 ( -3.321 -16.032 2.826) 16.614 6.584 ( 4.463 -15.426 -3.393) 16.414 6.672 ( 1.192 -2.715 0.232) 2.974 6.785 ( 1.512 1.167 -5.777) 6.084 7.099 ( 7.712 0.845 -1.417) 7.886 7.211 ( 8.913 0.101 6.866) 11.251 7.289 ( 14.987 -0.322 0.130) 14.991 7.537 ( -1.361 -1.330 16.725) 16.833 7.672 ( -3.886 10.629 12.094) 16.563 7.885 ( -2.269 -2.049 -9.415) 9.898 7.915 ( -1.732 1.225 0.486) 2.176 8.036 ( 0.048 -2.499 -2.406) 3.469 8.133 ( 1.900 5.127 -3.696) 6.600 8.229 ( 14.359 -5.773 -1.845) 15.586 8.404 ( -9.763 5.125 7.989) 13.617 8.605 ( 1.696 -2.542 9.974) 10.432 8.737 ( 2.849 -8.021 8.533) 12.053 9.122 ( -8.089 6.799 -8.099) 13.313 9.253 ( -4.257 -2.001 -12.069) 12.953 9.684 ( 5.358 1.741 -7.561) 9.429 9.727 ( -2.600 6.670 -2.443) 7.564 9.906 ( -4.694 4.953 6.093) 9.148 10.270 ( 9.092 -1.247 13.447) 16.280 10.428 ( -6.632 4.882 -16.187) 18.162 10.537 ( 1.454 0.665 1.984) 2.548 10.730 ( 5.500 1.391 -8.297) 10.051 10.969 ( -7.951 3.278 3.797) 9.401 11.685 ( 8.130 -1.717 -2.502) 8.678 12.006 ( -2.101 3.118 3.040) 4.835 12.056 ( 0.183 2.873 -1.995) 3.503 12.427 ( 6.709 -3.499 12.109) 14.278 12.520 ( 4.473 2.309 -0.877) 5.110 13.538 ( -1.273 -3.562 3.031) 4.847 13.598 ( -0.842 -0.390 -1.405) 1.684 13.661 ( -3.613 -1.049 -1.835) 4.186 13.788 ( -2.544 2.247 -0.126) 3.397 13.959 ( 11.126 -2.212 1.361) 11.425 14.034 ( 5.345 -5.647 -4.427) 8.947 14.312 ( 5.695 -1.952 -0.422) 6.035 14.329 ( 5.375 1.808 0.232) 5.676 14.612 ( -4.241 -2.146 0.005) 4.754 14.704 ( -1.322 -3.590 2.661) 4.660 14.755 ( 0.834 -1.021 -0.698) 1.492 15.000 ( 1.271 0.283 -3.290) 3.538 15.360 ( 8.239 5.872 -0.600) 10.135 15.573 ( 1.952 3.060 -0.182) 3.634 16.116 ( 2.430 2.561 0.357) 3.548 16.219 ( -6.795 -2.758 10.626) 12.911 16.643 ( -12.754 -4.342 -11.580) 17.765 16.840 ( -2.172 -13.690 6.812) 15.444 17.438 ( -3.044 -13.816 -8.929) 16.729 17.520 ( -12.477 0.574 -0.343) 12.495 18.033 ( -11.169 -14.201 8.604) 20.012 18.136 ( -23.036 -6.325 -2.038) 23.976 18.214 ( -6.674 -19.525 0.618) 20.643 18.298 ( -4.899 -24.842 -1.455) 25.362 18.591 ( -18.473 -2.092 0.045) 18.591 19.257 ( 3.986 15.397 -3.478) 16.281 19.562 ( 8.589 6.784 -0.767) 10.972 19.786 ( 5.439 5.220 7.426) 10.581 20.431 ( -2.696 16.209 -2.160) 16.573 20.658 ( 1.731 7.502 -2.093) 7.979 21.041 ( 9.926 -3.699 -2.262) 10.832 21.763 ( -5.435 4.721 5.894) 9.304 21.928 ( -8.024 3.694 -5.538) 10.426 22.093 ( 4.592 -3.345 9.769) 11.301 22.297 ( 3.244 -4.188 -7.184) 8.926 ======================= Grid point 139 (49/72) ======================= q-point: (-0.36 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( -20.633 17.654 12.124) 29.739 3.030 ( -27.759 11.666 -9.705) 31.636 3.330 ( -20.531 2.135 2.796) 20.830 3.439 ( -11.406 -1.990 2.785) 11.908 3.522 ( -0.571 0.197 -6.066) 6.096 3.625 ( -21.146 3.470 7.908) 22.842 3.695 ( -19.368 1.695 1.271) 19.484 4.067 ( -12.248 13.999 -3.344) 18.899 4.141 ( -7.032 2.050 19.261) 20.606 4.212 ( -4.366 6.213 9.324) 12.026 4.415 ( -2.530 15.646 -5.480) 16.770 4.827 ( -3.725 1.051 -19.015) 19.405 4.971 ( -2.040 12.234 -3.195) 12.807 5.199 ( 11.169 5.354 -0.003) 12.386 5.256 ( -6.085 20.580 1.203) 21.494 5.339 ( 0.462 10.334 -8.884) 13.636 5.457 ( 7.044 3.101 2.548) 8.108 5.480 ( 9.869 1.651 -3.031) 10.455 5.593 ( 0.705 1.408 0.613) 1.689 5.706 ( 6.694 8.003 -7.512) 12.856 5.771 ( 2.665 8.112 -13.276) 15.784 6.317 ( 13.600 -0.570 9.162) 16.408 6.477 ( 9.874 0.838 -5.649) 11.406 6.619 ( 1.558 -5.410 2.264) 6.068 6.759 ( 6.604 -1.011 -1.439) 6.834 6.922 ( 3.231 -15.519 0.338) 15.855 7.013 ( 2.754 -18.951 -0.251) 19.151 7.254 ( 8.580 -12.333 -0.655) 15.038 7.349 ( 7.306 -6.898 9.550) 13.862 7.496 ( -1.811 -5.860 5.393) 8.167 7.530 ( 5.024 0.293 9.155) 10.447 7.583 ( -0.806 -5.630 12.764) 13.974 7.870 ( -2.582 -2.590 -0.086) 3.658 7.910 ( -2.703 -5.687 -4.231) 7.586 8.103 ( 1.990 -4.675 -2.410) 5.623 8.147 ( -0.861 0.243 -1.194) 1.492 8.252 ( -3.144 -1.004 -2.672) 4.247 8.522 ( 9.856 -2.413 -1.020) 10.199 8.557 ( 3.645 5.390 -1.694) 6.724 8.843 ( -3.748 1.735 3.530) 5.433 9.000 ( 2.340 -5.253 8.757) 10.477 9.174 ( -9.286 -0.239 -12.368) 15.468 9.454 ( -10.936 14.070 11.218) 21.057 9.775 ( 5.465 -0.761 -8.580) 10.201 9.839 ( -1.012 1.170 -5.998) 6.194 10.234 ( -9.139 7.550 -24.743) 27.436 10.404 ( 3.555 -2.114 10.217) 11.022 10.529 ( 1.078 2.387 3.452) 4.333 10.712 ( -8.629 3.149 5.699) 10.810 10.856 ( 3.303 0.399 -6.607) 7.397 11.803 ( 5.230 -1.996 9.345) 10.894 11.946 ( -3.081 0.567 3.395) 4.620 12.094 ( 6.147 -3.000 -9.032) 11.330 12.550 ( 3.470 -7.365 0.206) 8.144 12.691 ( 13.837 -3.877 10.605) 17.859 13.447 ( -6.220 4.607 1.507) 7.886 13.597 ( -5.955 4.249 5.001) 8.861 13.682 ( 0.515 -6.504 -0.971) 6.596 13.749 ( -0.305 -5.891 -6.053) 8.452 14.136 ( 7.766 -4.355 1.446) 9.021 14.203 ( 6.918 -5.842 -3.284) 9.632 14.465 ( 10.212 -6.150 -1.323) 11.994 14.521 ( 11.075 -9.874 0.505) 14.846 14.655 ( -0.598 -6.688 0.084) 6.715 14.724 ( -0.858 -2.857 -0.238) 2.993 14.848 ( 7.178 -6.912 4.211) 10.819 15.097 ( 6.762 -5.547 -5.425) 10.292 15.400 ( 8.036 4.924 -0.819) 9.460 15.573 ( 4.067 2.138 -0.353) 4.609 16.112 ( 2.357 1.465 1.842) 3.331 16.210 ( -1.696 -4.830 8.447) 9.877 16.539 ( -11.766 -5.850 -9.599) 16.273 17.024 ( 0.085 -11.379 7.727) 13.755 17.316 ( -16.449 -4.889 2.863) 17.397 17.634 ( 1.591 -14.362 -13.846) 20.012 17.778 ( -23.457 -0.499 -0.877) 23.479 18.193 ( -15.766 -0.919 5.704) 16.791 18.279 ( -4.541 -20.462 6.368) 21.905 18.455 ( -4.142 -14.453 -7.956) 17.010 18.679 ( -2.655 -23.151 -0.862) 23.319 19.101 ( 0.842 10.945 0.658) 10.997 19.455 ( -4.181 10.586 5.339) 12.572 19.820 ( 8.186 7.632 6.304) 12.845 20.109 ( -5.535 17.219 -15.735) 23.973 20.628 ( 1.826 2.531 4.562) 5.527 21.184 ( 5.571 -0.328 4.872) 7.409 21.648 ( -5.330 0.215 1.248) 5.478 21.764 ( -10.772 1.063 -7.027) 12.905 22.190 ( 4.915 -1.093 9.188) 10.477 22.391 ( 4.416 -1.554 -6.913) 8.349 ======================= Grid point 140 (50/72) ======================= q-point: (-0.27 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -29.150 18.953 8.294) 35.746 2.462 ( -29.494 11.946 -14.758) 35.077 2.915 ( -36.484 13.213 30.032) 49.067 3.068 ( -15.407 2.007 9.754) 18.345 3.399 ( -15.127 0.389 -4.820) 15.881 3.443 ( -4.936 12.757 -9.491) 16.649 3.554 ( -2.541 0.964 -3.006) 4.053 3.641 ( -9.697 16.066 -7.543) 20.225 3.936 ( 0.524 22.062 3.563) 22.354 3.996 ( -5.225 23.498 1.664) 24.129 4.231 ( 0.125 7.272 14.001) 15.777 4.579 ( -5.881 19.849 8.809) 22.498 4.722 ( -7.811 19.064 -23.912) 31.563 4.756 ( -4.836 30.577 11.599) 33.058 4.915 ( -9.929 19.865 -14.250) 26.386 5.334 ( 4.842 11.936 -23.046) 26.401 5.491 ( 8.191 0.744 -2.321) 8.546 5.596 ( 8.776 -0.289 8.020) 11.892 5.662 ( 6.885 1.257 -0.529) 7.019 5.725 ( 3.890 -6.497 -2.470) 7.965 5.934 ( 14.770 -1.237 -12.822) 19.598 6.484 ( 13.900 4.702 -0.813) 14.696 6.633 ( 3.403 4.989 15.227) 16.381 6.695 ( 15.417 -3.125 3.321) 16.077 6.840 ( 5.153 1.761 -1.311) 5.601 7.027 ( -4.715 -0.655 2.652) 5.449 7.140 ( -0.028 -3.259 0.107) 3.261 7.481 ( 6.208 -4.813 15.360) 17.252 7.574 ( -0.074 -4.613 6.167) 7.702 7.614 ( 3.848 -9.271 3.880) 10.761 7.673 ( 2.305 -11.461 6.419) 13.337 7.758 ( 4.931 -21.687 -0.315) 22.242 7.918 ( -3.457 -8.748 0.366) 9.413 7.961 ( -4.372 -7.335 1.671) 8.702 8.076 ( -4.311 -1.130 1.702) 4.771 8.214 ( -1.896 -8.495 -7.232) 11.316 8.325 ( 0.856 -6.475 -13.737) 15.210 8.401 ( -1.049 4.205 -3.962) 5.872 8.687 ( -0.177 1.727 1.077) 2.043 8.760 ( -1.194 6.083 -1.332) 6.341 9.043 ( -0.909 0.171 1.344) 1.631 9.117 ( -7.462 8.854 5.745) 12.926 9.220 ( 5.424 -8.442 13.714) 16.993 9.697 ( -3.708 9.588 -12.005) 15.805 9.878 ( -5.967 6.430 -23.790) 25.356 10.029 ( -0.475 -1.559 -20.257) 20.322 10.311 ( -12.257 3.430 8.292) 15.191 10.491 ( -2.742 3.591 -0.506) 4.546 10.670 ( 4.350 -3.430 12.361) 13.546 10.945 ( 5.344 -2.065 -5.923) 8.241 11.890 ( -2.151 -0.858 3.525) 4.218 11.924 ( 0.164 -8.343 18.675) 20.454 12.286 ( 12.052 -5.565 -10.260) 16.778 12.725 ( 3.094 -9.617 -2.237) 10.347 12.939 ( 11.599 -6.842 14.494) 19.784 13.295 ( -7.160 2.858 0.155) 7.711 13.453 ( -4.305 3.726 7.690) 9.568 13.789 ( 0.107 -8.025 0.288) 8.031 13.895 ( 4.472 -11.326 -8.164) 14.660 14.274 ( 0.670 -7.019 2.266) 7.406 14.359 ( -0.040 -10.110 -2.803) 10.491 14.628 ( 0.121 3.488 -0.415) 3.514 14.753 ( 4.115 -20.044 -2.871) 20.662 14.863 ( 11.542 -13.024 -0.458) 17.408 14.901 ( -0.141 -20.288 0.882) 20.308 15.118 ( 17.778 -5.903 2.835) 18.945 15.307 ( 10.673 -6.494 -1.594) 12.595 15.441 ( 7.372 3.761 -2.101) 8.539 15.660 ( 13.376 0.702 -0.603) 13.408 16.148 ( 5.834 2.017 -0.060) 6.173 16.314 ( 5.326 -5.620 8.541) 11.528 16.498 ( -5.751 -7.492 -8.010) 12.384 16.994 ( -14.688 -2.644 2.829) 15.190 17.352 ( -1.855 -13.955 9.935) 17.230 17.473 ( -23.790 -2.535 -0.882) 23.941 17.851 ( 3.170 -11.003 -14.290) 18.311 17.951 ( -14.399 2.223 1.767) 14.676 18.475 ( 1.870 3.356 -6.399) 7.464 18.540 ( 0.536 -7.509 7.455) 10.595 18.834 ( -4.519 -0.765 -6.315) 7.803 19.057 ( -3.008 -8.401 2.426) 9.247 19.267 ( -5.693 4.952 17.962) 19.483 19.641 ( -6.556 9.801 -13.937) 18.256 20.012 ( 6.602 2.869 -6.797) 9.900 20.612 ( -2.555 -0.713 9.072) 9.452 21.191 ( -0.949 2.616 10.286) 10.656 21.583 ( -8.482 0.463 -11.011) 13.907 21.662 ( -4.136 -5.387 -3.280) 7.542 22.250 ( 3.881 1.317 8.810) 9.717 22.452 ( 4.387 1.518 -7.317) 8.666 ======================= Grid point 141 (51/72) ======================= q-point: (-0.18 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -30.509 17.142 14.352) 37.824 1.964 ( -19.709 9.744 -23.381) 32.094 2.253 ( -23.151 21.776 42.497) 53.067 2.882 ( -8.123 2.984 14.264) 16.683 2.965 ( -9.276 31.940 -19.825) 38.720 3.192 ( -1.291 43.685 12.778) 45.533 3.245 ( -7.667 -0.107 -11.860) 14.123 3.547 ( -0.923 23.954 -0.864) 23.987 3.614 ( -2.316 0.059 4.077) 4.689 3.708 ( -0.747 10.852 -8.516) 13.815 3.933 ( -0.727 31.475 1.966) 31.544 4.213 ( -5.356 33.605 -26.029) 42.843 4.221 ( -7.123 19.758 5.598) 21.736 4.550 ( -6.144 16.291 -14.197) 22.465 4.562 ( 1.927 1.568 22.042) 22.182 5.308 ( 4.253 3.232 -30.319) 30.786 5.485 ( -1.332 2.076 19.303) 19.460 5.640 ( 0.756 2.422 -1.523) 2.959 5.821 ( 12.818 0.686 -2.810) 13.140 5.875 ( 0.988 -8.966 2.275) 9.303 6.101 ( 6.024 -1.338 -22.575) 23.403 6.541 ( 1.008 6.558 19.882) 20.960 6.628 ( 13.422 5.053 0.684) 14.358 6.813 ( -1.164 5.919 1.203) 6.151 6.850 ( -1.018 4.965 -0.846) 5.139 6.999 ( 8.886 -0.110 12.790) 15.575 7.141 ( -5.871 -2.901 -1.536) 6.726 7.613 ( 4.022 -3.393 20.462) 21.128 7.623 ( 3.969 -0.115 16.596) 17.064 7.750 ( -2.275 -3.151 -0.782) 3.964 7.813 ( 1.095 -6.156 0.892) 6.316 7.901 ( 0.667 -4.147 0.579) 4.241 7.998 ( -0.005 -2.450 -4.364) 5.005 8.046 ( -1.240 -3.693 -7.467) 8.422 8.090 ( -0.785 -5.517 -1.843) 5.870 8.236 ( -3.220 7.785 3.426) 9.094 8.395 ( -2.005 -5.288 -19.879) 20.668 8.415 ( -0.302 -6.749 -1.544) 6.930 8.561 ( -11.465 0.061 -0.312) 11.470 8.716 ( -1.174 -12.800 -5.666) 14.047 8.965 ( 1.927 -0.021 7.610) 7.850 9.214 ( 8.667 0.379 -4.842) 9.935 9.362 ( -2.722 7.589 -11.485) 14.032 9.428 ( -2.434 4.353 -12.282) 13.256 9.604 ( -9.187 7.906 -12.979) 17.759 10.116 ( -8.298 2.434 9.008) 12.487 10.178 ( 3.658 -8.483 -11.254) 14.560 10.400 ( -1.990 4.705 -1.107) 5.227 10.787 ( 3.143 -4.542 10.114) 11.524 11.033 ( 2.764 -2.287 -4.581) 5.818 11.850 ( -2.288 0.377 4.761) 5.296 12.104 ( 0.035 -15.246 11.433) 19.057 12.543 ( 14.912 -3.196 -0.215) 15.252 12.840 ( -5.043 -10.299 7.383) 13.639 13.158 ( 2.415 -8.462 7.164) 11.347 13.209 ( -1.886 1.110 3.520) 4.145 13.484 ( 4.396 -12.687 10.066) 16.781 13.917 ( 5.205 -8.675 5.296) 11.419 14.163 ( 10.029 -8.602 -5.245) 14.216 14.337 ( -9.947 -11.179 4.838) 15.727 14.526 ( -7.359 -27.089 -5.647) 28.633 14.583 ( 0.866 3.380 -2.283) 4.170 15.089 ( 1.357 -19.635 -1.787) 19.763 15.174 ( 2.884 -20.361 -0.144) 20.565 15.210 ( 0.206 -23.487 0.580) 23.495 15.376 ( 5.890 -6.242 -3.433) 9.244 15.445 ( 4.781 2.875 1.198) 5.706 15.646 ( 19.403 -8.324 -1.277) 21.152 15.947 ( 23.234 -4.027 0.665) 23.589 16.185 ( 2.703 2.479 -0.169) 3.672 16.421 ( 4.053 -2.151 -1.183) 4.739 16.670 ( 11.443 -7.939 2.394) 14.132 16.841 ( -13.484 -6.071 -0.569) 14.798 17.176 ( -23.958 -3.729 0.362) 24.249 17.523 ( 0.451 -9.544 12.895) 16.049 17.768 ( -3.251 4.595 1.107) 5.736 17.993 ( 1.639 -1.619 -11.367) 11.598 18.274 ( 1.909 22.195 -8.916) 23.995 18.442 ( -8.113 20.061 5.035) 22.217 18.698 ( -0.457 18.508 2.570) 18.691 19.094 ( -4.495 -0.852 0.454) 4.597 19.191 ( -2.567 -13.591 2.063) 13.984 19.649 ( -2.249 -11.793 -3.863) 12.612 20.082 ( 1.189 -5.817 -4.403) 7.392 20.590 ( -4.393 -4.059 12.625) 13.971 21.132 ( -1.727 2.360 6.328) 6.971 21.449 ( -8.886 0.797 -14.128) 16.709 21.720 ( -0.527 -5.779 -4.657) 7.441 22.260 ( 2.011 2.929 8.388) 9.110 22.463 ( 3.002 4.419 -8.042) 9.655 ======================= Grid point 142 (52/72) ======================= q-point: (-0.09 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 0.000 14.597 28.366) 31.901 1.709 ( 0.000 7.031 -30.330) 31.135 1.740 ( 0.000 28.673 42.397) 51.183 2.381 ( 0.000 41.200 -18.032) 44.974 2.458 ( 0.000 54.571 28.584) 61.604 2.814 ( 0.000 0.797 20.422) 20.437 3.165 ( 0.000 27.417 6.945) 28.283 3.203 ( -0.000 -0.676 -15.238) 15.253 3.485 ( 0.000 28.331 -7.487) 29.304 3.587 ( 0.000 11.179 -25.366) 27.721 3.650 ( -0.000 -3.125 4.234) 5.263 3.756 ( 0.000 23.397 -28.428) 36.818 3.927 ( 0.000 15.143 8.394) 17.314 4.315 ( 0.000 11.714 -17.977) 21.457 4.602 ( -0.000 -3.128 26.390) 26.575 5.317 ( 0.000 0.317 -30.717) 30.719 5.449 ( 0.000 1.229 31.062) 31.086 5.605 ( 0.000 3.132 -3.579) 4.756 5.892 ( 0.000 1.781 -4.083) 4.454 5.986 ( -0.000 -5.426 4.944) 7.341 6.154 ( -0.000 -1.981 -29.663) 29.729 6.492 ( 0.000 1.590 22.085) 22.142 6.648 ( 0.000 5.134 3.219) 6.060 6.698 ( 0.000 5.702 -1.594) 5.920 6.790 ( 0.000 4.815 0.873) 4.894 6.982 ( 0.000 12.386 14.217) 18.856 7.111 ( 0.000 1.687 -5.202) 5.469 7.602 ( 0.000 6.704 17.547) 18.784 7.689 ( -0.000 -1.196 10.085) 10.155 7.736 ( -0.000 -2.233 21.380) 21.496 7.832 ( 0.000 14.653 6.408) 15.993 7.893 ( 0.000 4.188 -17.844) 18.329 7.990 ( -0.000 -3.567 -4.929) 6.084 8.071 ( 0.000 4.214 -10.159) 10.999 8.085 ( -0.000 -4.036 0.610) 4.082 8.166 ( -0.000 -5.119 -2.074) 5.523 8.390 ( -0.000 -0.449 -12.821) 12.829 8.447 ( 0.000 22.637 -31.069) 38.441 8.477 ( -0.000 -2.598 -23.015) 23.161 8.860 ( -0.000 -11.945 2.858) 12.282 9.024 ( -0.000 -1.769 10.312) 10.463 9.122 ( -0.000 -8.234 -14.121) 16.346 9.369 ( -0.000 -4.256 -1.917) 4.668 9.430 ( 0.000 6.982 -11.152) 13.157 9.514 ( -0.000 -4.969 12.447) 13.402 10.028 ( 0.000 2.083 11.084) 11.278 10.314 ( -0.000 -6.995 -10.139) 12.318 10.322 ( 0.000 4.046 -2.688) 4.857 10.865 ( -0.000 -3.702 8.305) 9.093 11.080 ( -0.000 -2.002 -3.677) 4.187 11.829 ( 0.000 0.178 5.390) 5.393 12.287 ( -0.000 -10.413 -3.516) 10.990 12.628 ( 0.000 5.299 -4.276) 6.809 13.016 ( -0.000 -16.456 19.960) 25.870 13.156 ( 0.000 2.875 5.217) 5.957 13.382 ( -0.000 -26.555 9.397) 28.169 13.735 ( -0.000 -12.116 3.790) 12.695 14.251 ( -0.000 -1.580 1.613) 2.258 14.281 ( -0.000 -1.001 -0.526) 1.131 14.407 ( -0.000 -46.794 33.227) 57.390 14.555 ( 0.000 2.142 -3.346) 3.973 14.987 ( -0.000 -41.716 -4.651) 41.974 15.273 ( -0.000 -8.811 -0.127) 8.812 15.437 ( 0.000 2.702 1.103) 2.918 15.464 ( -0.000 -11.236 -1.678) 11.360 15.502 ( -0.000 -17.434 -0.198) 17.435 15.576 ( -0.000 -24.167 -3.111) 24.366 16.019 ( -0.000 -20.865 -4.640) 21.375 16.149 ( 0.000 2.310 -0.242) 2.323 16.263 ( -0.000 -11.623 1.984) 11.791 16.473 ( 0.000 1.485 0.111) 1.489 16.797 ( -0.000 -6.745 -1.867) 6.999 16.900 ( -0.000 -0.629 -0.016) 0.629 17.019 ( -0.000 -7.870 3.249) 8.514 17.606 ( 0.000 0.151 9.026) 9.027 17.753 ( -0.000 -0.002 -0.000) 0.002 17.833 ( 0.000 23.428 3.200) 23.646 17.986 ( 0.000 31.032 0.047) 31.032 18.050 ( 0.000 13.733 -9.180) 16.519 18.277 ( 0.000 33.752 1.048) 33.768 19.188 ( -0.000 -10.203 -0.148) 10.204 19.309 ( -0.000 -5.875 3.975) 7.093 19.709 ( 0.000 0.358 -3.638) 3.655 20.242 ( -0.000 -15.525 -3.860) 15.998 20.629 ( -0.000 -6.284 11.399) 13.017 21.082 ( 0.000 3.674 -2.855) 4.653 21.331 ( 0.000 5.989 -15.125) 16.267 21.787 ( -0.000 -4.350 -5.125) 6.722 22.235 ( 0.000 1.994 7.637) 7.893 22.415 ( 0.000 5.254 -7.238) 8.944 ======================= Grid point 145 (53/72) ======================= q-point: ( 0.18 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 16.826 -0.000 17.489) 24.269 1.909 ( 9.869 -0.000 -20.498) 22.750 2.394 ( 29.867 -0.000 28.798) 41.489 2.649 ( 0.408 -0.000 14.432) 14.438 2.938 ( -2.378 0.000 -12.933) 13.150 2.951 ( 31.308 -0.000 -20.932) 37.661 3.381 ( -4.982 0.000 5.179) 7.187 3.533 ( 23.341 -0.000 5.854) 24.064 3.673 ( 0.575 -0.000 -2.909) 2.966 3.881 ( 21.040 -0.000 3.057) 21.261 4.128 ( 24.638 -0.000 12.969) 27.843 4.497 ( 24.137 -0.000 2.441) 24.260 4.515 ( 13.255 -0.000 23.549) 27.023 4.683 ( 6.552 -0.000 -15.455) 16.786 4.758 ( 20.549 -0.000 -9.113) 22.479 4.936 ( -1.527 0.000 -22.759) 22.810 5.172 ( -6.499 0.000 -19.166) 20.238 5.315 ( -25.448 0.000 -7.647) 26.572 5.470 ( 1.770 -0.000 17.817) 17.905 5.595 ( 2.481 -0.000 -1.580) 2.941 5.936 ( -16.698 0.000 -1.712) 16.785 5.942 ( -3.489 0.000 -13.187) 13.640 6.199 ( 1.472 -0.000 -7.096) 7.247 6.702 ( 2.922 -0.000 5.989) 6.664 6.771 ( 7.915 -0.000 -0.823) 7.958 6.970 ( -2.763 0.000 23.786) 23.945 7.193 ( -25.339 0.000 -0.729) 25.349 7.206 ( -10.867 0.000 10.845) 15.353 7.510 ( 0.319 -0.000 0.150) 0.352 7.678 ( -4.096 0.000 6.112) 7.357 7.681 ( -3.390 0.000 3.346) 4.763 7.932 ( -6.195 0.000 8.321) 10.374 7.960 ( -1.111 0.000 5.340) 5.454 8.039 ( -3.930 0.000 2.521) 4.669 8.127 ( -18.751 0.000 6.388) 19.809 8.202 ( -1.783 0.000 -10.760) 10.906 8.296 ( -7.303 0.000 -21.830) 23.019 8.554 ( 9.798 -0.000 1.342) 9.889 8.971 ( -6.141 0.000 12.681) 14.090 9.003 ( 18.231 -0.000 -19.280) 26.535 9.168 ( -8.285 0.000 0.057) 8.285 9.274 ( -9.841 0.000 8.286) 12.865 9.284 ( 14.592 -0.000 -11.921) 18.842 9.655 ( 18.669 -0.000 11.934) 22.157 10.050 ( -9.948 0.000 -12.599) 16.052 10.189 ( 20.315 -0.000 -26.792) 33.623 10.307 ( 5.852 -0.000 -0.536) 5.877 10.719 ( 11.446 -0.000 1.179) 11.507 10.749 ( -3.998 0.000 10.038) 10.804 10.979 ( -2.814 0.000 -3.973) 4.869 11.660 ( -20.432 0.000 6.794) 21.532 12.081 ( 6.878 -0.000 3.879) 7.896 12.549 ( 4.144 -0.000 -5.646) 7.004 12.825 ( -17.428 0.000 22.308) 28.309 13.236 ( 0.281 -0.000 6.822) 6.828 13.447 ( 7.727 -0.000 1.826) 7.940 13.580 ( -17.840 0.000 -6.268) 18.910 13.868 ( -12.348 0.000 -4.832) 13.260 14.007 ( -34.339 0.000 -0.455) 34.342 14.048 ( 0.548 -0.000 2.153) 2.221 14.120 ( 4.655 -0.000 -2.662) 5.362 14.422 ( -21.245 0.000 1.719) 21.315 14.495 ( -8.594 0.000 -4.256) 9.590 14.992 ( -11.784 0.000 1.567) 11.888 15.308 ( -10.488 0.000 6.881) 12.544 15.552 ( 5.238 -0.000 0.357) 5.250 15.564 ( -12.370 0.000 -5.195) 13.416 15.753 ( -8.136 0.000 -3.692) 8.934 16.168 ( -3.941 0.000 2.047) 4.441 16.192 ( 2.178 -0.000 0.298) 2.199 16.419 ( 2.907 -0.000 -1.091) 3.105 16.671 ( -12.709 0.000 -0.755) 12.731 16.677 ( -0.697 0.000 1.287) 1.464 16.782 ( -0.691 0.000 -0.633) 0.937 17.010 ( -6.818 0.000 0.088) 6.819 17.320 ( -15.133 0.000 11.940) 19.277 17.618 ( -15.076 0.000 -12.191) 19.389 18.514 ( -4.075 0.000 2.479) 4.770 18.729 ( 25.002 -0.000 -1.679) 25.058 19.068 ( 4.024 -0.000 -4.225) 5.835 19.478 ( 3.370 -0.000 8.312) 8.969 19.537 ( 6.037 -0.000 7.658) 9.751 19.855 ( -0.962 0.000 -3.365) 3.499 20.029 ( 5.540 -0.000 -15.570) 16.526 20.868 ( 6.434 -0.000 7.534) 9.908 21.206 ( 2.621 -0.000 9.130) 9.498 21.818 ( -1.967 0.000 -4.485) 4.897 21.878 ( 0.045 -0.000 -8.108) 8.108 22.297 ( 1.431 -0.000 9.246) 9.356 22.485 ( 0.671 -0.000 -7.324) 7.354 ======================= Grid point 146 (54/72) ======================= q-point: ( 0.27 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 13.565 -39.708 10.174) 43.177 2.290 ( 8.957 -33.216 -14.302) 37.257 2.803 ( 13.372 -10.951 18.458) 25.287 2.818 ( 12.002 -15.043 18.239) 26.515 3.044 ( -0.343 -19.144 -7.194) 20.454 3.349 ( -4.307 -5.983 2.847) 7.903 3.379 ( 24.124 -4.367 -18.003) 30.417 3.643 ( -2.866 0.118 -7.617) 8.139 3.873 ( 22.198 -0.771 6.931) 23.268 4.149 ( 15.886 -1.011 6.420) 17.164 4.214 ( 2.089 2.248 20.151) 20.384 4.500 ( -15.313 -0.131 1.375) 15.375 4.838 ( 12.561 -0.009 -5.859) 13.861 4.844 ( 8.435 -0.145 4.414) 9.521 4.910 ( 0.533 -0.085 -24.935) 24.940 5.011 ( -12.824 1.292 -6.555) 14.460 5.079 ( 20.262 -2.138 -3.067) 20.604 5.233 ( 16.141 -2.893 -11.437) 19.993 5.527 ( 2.341 -3.552 8.538) 9.539 5.635 ( 2.413 -0.660 0.395) 2.533 5.855 ( 6.808 1.567 -5.852) 9.114 5.924 ( -0.494 -2.507 -10.451) 10.759 6.223 ( 1.011 -0.688 -2.655) 2.923 6.683 ( -7.250 4.043 2.363) 8.631 6.810 ( -14.796 -3.840 0.693) 15.302 6.827 ( -5.800 4.124 5.693) 9.114 6.984 ( -8.589 -5.899 3.265) 10.920 7.077 ( -7.610 0.094 7.857) 10.938 7.391 ( -3.954 9.148 3.456) 10.548 7.590 ( -4.442 4.480 2.160) 6.669 7.630 ( -10.517 -6.000 6.127) 13.570 7.814 ( -7.058 2.731 9.497) 12.144 7.888 ( -9.447 -4.423 2.260) 10.673 8.038 ( -0.327 -4.396 9.296) 10.288 8.047 ( 0.835 -4.937 2.367) 5.539 8.131 ( -3.932 3.563 -11.945) 13.070 8.183 ( -6.186 2.678 -15.970) 17.334 8.743 ( 11.677 -1.132 4.657) 12.622 8.825 ( -6.211 5.912 10.443) 13.513 8.994 ( -9.226 6.571 -0.198) 11.328 9.096 ( -10.793 3.920 8.683) 14.396 9.271 ( 15.937 -3.225 -15.540) 22.492 9.470 ( 9.004 -3.163 -14.424) 17.295 9.879 ( -2.646 4.068 -5.254) 7.153 9.923 ( 11.155 -0.244 11.620) 16.109 10.361 ( 4.487 -2.033 5.448) 7.344 10.484 ( 16.627 -0.619 -30.188) 34.469 10.659 ( -3.086 5.869 10.183) 12.152 10.858 ( 6.108 0.164 3.081) 6.843 10.928 ( -0.367 1.915 -3.936) 4.393 11.465 ( -9.731 -2.433 2.527) 10.343 12.161 ( 6.387 1.872 3.056) 7.323 12.532 ( -4.097 7.353 5.280) 9.937 12.586 ( -8.200 2.891 6.906) 11.103 13.284 ( 1.670 -3.331 2.073) 4.264 13.334 ( -5.221 9.822 -0.649) 11.142 13.551 ( 3.503 -0.412 1.673) 3.904 13.658 ( -14.887 -1.504 -1.361) 15.025 13.728 ( -9.202 -0.681 -5.586) 10.786 14.000 ( -1.904 5.350 0.359) 5.690 14.083 ( -21.441 0.345 0.093) 21.444 14.203 ( 6.563 0.306 -0.741) 6.612 14.499 ( 0.462 -2.507 -2.042) 3.266 14.840 ( -10.759 -0.248 1.705) 10.896 15.104 ( -10.875 7.629 4.350) 13.978 15.336 ( -12.535 7.369 -3.273) 14.905 15.603 ( 0.994 4.117 0.441) 4.259 15.634 ( -3.287 2.515 -3.231) 5.251 15.918 ( -1.152 19.210 5.166) 19.926 16.118 ( 0.302 10.679 -5.766) 12.140 16.417 ( -2.256 5.413 4.998) 7.705 16.512 ( -3.291 -0.475 -3.804) 5.052 16.756 ( -5.785 -14.150 2.202) 15.445 16.952 ( -3.126 -22.037 -1.274) 22.294 17.039 ( -12.864 -12.100 3.411) 17.986 17.146 ( -15.843 -11.996 5.428) 20.600 17.400 ( -22.523 -7.256 -9.915) 25.657 18.354 ( -16.985 1.182 2.246) 17.173 18.794 ( -21.159 -0.636 -2.893) 21.365 19.099 ( 10.876 0.872 -1.494) 11.013 19.462 ( -10.597 1.514 11.825) 15.950 19.654 ( 14.903 1.026 3.147) 15.266 19.804 ( 4.469 4.255 -11.505) 13.056 20.275 ( 22.624 -0.295 -4.512) 23.071 20.935 ( 6.729 4.306 1.606) 8.148 21.236 ( 3.410 2.714 7.632) 8.789 21.786 ( -2.847 -1.533 0.377) 3.255 21.905 ( -0.079 -4.176 -7.276) 8.390 22.267 ( -0.860 4.931 8.001) 9.438 22.431 ( -2.774 5.107 -5.989) 8.345 ======================= Grid point 147 (55/72) ======================= q-point: ( 0.36 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( 8.003 -36.600 3.442) 37.623 2.940 ( 7.329 -42.918 -6.413) 44.009 3.127 ( 4.460 -19.893 7.393) 21.686 3.219 ( 11.782 -14.069 17.821) 25.580 3.423 ( 1.275 -30.466 -0.082) 30.492 3.482 ( -1.007 -14.662 -3.182) 15.037 3.537 ( -4.568 -13.300 -1.800) 14.177 3.774 ( 11.129 -7.383 -12.142) 18.049 3.957 ( -7.297 0.411 15.596) 17.224 4.129 ( -19.642 1.935 15.272) 24.956 4.376 ( 12.230 0.332 4.174) 12.927 4.429 ( 6.718 -3.796 -9.691) 12.388 4.692 ( -8.865 1.644 -4.309) 9.993 4.817 ( -5.456 0.769 -19.523) 20.286 4.899 ( 8.307 1.610 -9.427) 12.667 5.147 ( 12.804 -0.129 0.040) 12.804 5.376 ( 16.467 0.560 3.535) 16.852 5.485 ( 4.102 -0.466 -1.702) 4.465 5.631 ( 2.694 -2.626 -5.634) 6.775 5.692 ( 10.520 -2.618 0.444) 10.850 5.919 ( 2.629 -2.643 -1.633) 4.070 6.026 ( 3.333 -2.240 0.807) 4.096 6.243 ( -0.363 -1.206 -2.385) 2.697 6.456 ( -9.368 1.736 -12.109) 15.408 6.570 ( -24.250 -2.267 3.421) 24.595 6.766 ( -0.859 -0.054 1.566) 1.787 6.946 ( 4.566 4.866 3.807) 7.683 7.018 ( -1.055 -0.452 4.118) 4.275 7.277 ( 0.067 8.490 3.501) 9.183 7.460 ( -2.622 6.570 -0.498) 7.091 7.608 ( -2.641 -6.309 11.728) 13.577 7.701 ( -3.968 0.246 9.395) 10.202 7.870 ( -4.438 -4.573 -3.705) 7.371 8.011 ( -6.731 2.002 -14.844) 16.421 8.065 ( -2.119 5.058 -5.264) 7.602 8.127 ( -1.399 -9.302 10.156) 13.843 8.180 ( 2.618 -8.129 5.645) 10.237 8.584 ( -6.815 9.857 10.411) 15.874 8.745 ( -9.015 10.270 -1.946) 13.804 8.850 ( -9.888 5.276 8.917) 14.322 8.982 ( 6.138 -3.890 -1.346) 7.391 9.522 ( 14.167 -2.205 -11.305) 18.258 9.614 ( 5.118 -3.422 -11.853) 13.356 9.694 ( -7.535 6.537 -13.585) 16.854 10.130 ( 14.641 1.332 18.157) 23.363 10.431 ( 1.944 0.805 4.581) 5.041 10.508 ( -2.026 8.008 8.787) 12.060 10.678 ( 10.479 0.265 -19.332) 21.991 10.786 ( -2.009 8.091 -5.405) 9.935 11.003 ( 4.032 -2.242 3.383) 5.721 11.463 ( 2.766 -3.748 -1.872) 5.020 12.194 ( 4.690 4.535 2.295) 6.915 12.364 ( -4.077 3.289 11.623) 12.749 12.456 ( -1.345 10.499 -1.231) 10.656 13.078 ( -1.057 19.203 -0.295) 19.235 13.384 ( -1.956 -5.067 -0.839) 5.496 13.505 ( -3.661 -5.448 4.368) 7.885 13.638 ( -3.237 -2.372 -7.181) 8.226 13.720 ( 5.042 -3.503 -0.502) 6.160 13.861 ( -11.138 -0.865 -0.192) 11.173 13.900 ( 0.298 6.095 0.274) 6.108 14.281 ( 6.618 1.346 -0.238) 6.758 14.552 ( 1.233 -3.079 -0.889) 3.434 14.702 ( -8.599 1.446 1.400) 8.831 14.831 ( -10.170 9.920 1.337) 14.269 15.049 ( -10.241 10.887 -1.307) 15.003 15.398 ( -5.446 13.603 -0.774) 14.673 15.616 ( 4.109 8.045 0.274) 9.037 15.731 ( 2.580 8.714 2.398) 9.399 16.058 ( -0.642 -3.021 -4.486) 5.446 16.315 ( -3.651 2.720 6.130) 7.636 16.446 ( -9.884 -0.836 -2.256) 10.173 16.773 ( -15.060 -4.852 -0.459) 15.829 16.992 ( -14.751 -14.928 3.815) 21.330 17.129 ( -16.682 -17.472 -5.260) 24.723 17.231 ( -4.408 -25.465 0.024) 25.844 17.367 ( -13.358 -24.000 -0.701) 27.476 18.052 ( -23.508 1.547 1.485) 23.606 18.441 ( -30.261 -2.182 -0.915) 30.353 18.981 ( -20.476 3.054 0.335) 20.705 19.498 ( 15.239 1.229 5.100) 16.117 19.742 ( 5.756 6.921 -5.209) 10.400 19.859 ( 10.859 4.245 -0.664) 11.678 20.584 ( 19.433 -1.735 1.078) 19.540 20.930 ( 4.550 7.075 -0.313) 8.417 21.183 ( -0.130 9.344 -1.125) 9.412 21.819 ( 1.456 -5.118 6.279) 8.231 21.988 ( 0.875 -6.994 -6.485) 9.578 22.149 ( -3.090 7.917 6.534) 10.720 22.287 ( -5.526 7.147 -4.871) 10.264 ======================= Grid point 148 (56/72) ======================= q-point: ( 0.45 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.122 ( 0.216 -15.655 -1.974) 15.781 3.385 ( -8.633 -4.225 -3.313) 10.166 3.449 ( 8.019 -5.859 15.804) 18.666 3.474 ( -1.164 -24.121 6.512) 25.012 3.566 ( -11.650 2.819 9.323) 15.185 3.667 ( 3.611 -38.151 -2.525) 38.405 3.761 ( -19.415 0.289 7.999) 21.000 3.861 ( -13.045 3.346 -7.791) 15.559 3.975 ( 2.313 -24.868 -5.034) 25.478 4.147 ( -21.302 -8.320 1.347) 22.909 4.268 ( 3.368 -44.025 9.962) 45.264 4.640 ( -11.654 2.224 0.112) 11.865 4.737 ( 4.288 -17.411 -20.854) 27.503 4.817 ( 8.477 1.884 -2.593) 9.063 5.058 ( 15.463 0.382 -8.093) 17.457 5.262 ( 11.485 -0.234 -0.041) 11.488 5.439 ( -0.802 1.275 1.953) 2.467 5.486 ( 4.838 4.087 -0.830) 6.387 5.627 ( -0.839 1.443 -2.607) 3.096 5.871 ( 6.683 1.371 -4.882) 8.389 5.993 ( -1.512 -0.411 -2.914) 3.308 6.086 ( 5.404 -4.796 3.975) 8.247 6.243 ( -0.366 -5.380 -7.211) 9.004 6.360 ( -6.940 6.572 -0.462) 9.569 6.436 ( 5.704 -0.677 -5.120) 7.695 6.769 ( 3.033 2.777 2.660) 4.898 6.960 ( 4.519 6.744 4.369) 9.219 7.053 ( 4.133 -0.682 1.523) 4.457 7.190 ( 4.009 1.335 4.363) 6.074 7.376 ( 0.971 2.978 0.696) 3.209 7.579 ( -2.328 1.896 12.248) 12.610 7.800 ( 1.296 -6.272 1.534) 6.585 7.878 ( -1.912 -1.472 -2.355) 3.371 7.905 ( -6.464 -1.208 -10.444) 12.342 8.007 ( 0.169 -0.095 1.709) 1.720 8.164 ( -2.085 0.887 7.509) 7.843 8.301 ( 0.536 -1.901 3.594) 4.101 8.457 ( -1.955 -1.932 7.127) 7.638 8.517 ( -4.167 4.167 2.478) 6.393 8.616 ( -11.722 3.892 10.316) 16.093 9.098 ( 1.064 -3.619 -11.319) 11.931 9.455 ( -7.007 10.615 -11.338) 17.039 9.715 ( 9.100 -0.330 -9.119) 12.887 9.729 ( 3.826 -2.702 -10.566) 11.558 10.245 ( 0.163 14.794 13.205) 19.830 10.289 ( 7.422 2.598 14.849) 16.803 10.519 ( 2.228 -0.928 0.072) 2.415 10.633 ( -2.241 9.163 -6.599) 11.512 10.775 ( 5.800 1.332 -10.513) 12.080 11.029 ( -2.631 0.809 3.402) 4.376 11.618 ( 12.054 -2.947 -4.917) 13.348 12.163 ( 2.043 6.890 2.439) 7.589 12.265 ( -1.727 11.994 -1.461) 12.206 12.369 ( 5.360 -1.350 11.558) 12.811 12.800 ( -0.898 17.859 -1.424) 17.938 13.410 ( -0.090 -3.750 1.173) 3.930 13.549 ( -1.721 -3.504 -0.613) 3.951 13.718 ( 2.041 -4.881 -1.956) 5.640 13.760 ( -0.700 -0.193 -2.754) 2.848 13.794 ( -3.353 -3.125 -0.042) 4.583 13.942 ( 10.549 -1.589 0.546) 10.681 14.346 ( 5.908 2.003 -0.475) 6.257 14.513 ( -5.313 9.879 1.587) 11.328 14.590 ( -2.986 -1.646 1.578) 3.757 14.663 ( -4.329 -0.260 -1.654) 4.641 14.806 ( -3.528 7.623 -0.749) 8.433 15.160 ( -3.989 10.388 0.124) 11.128 15.561 ( 6.275 8.615 -0.288) 10.662 15.687 ( 2.430 4.986 0.100) 5.547 16.137 ( -2.815 -5.704 2.177) 6.723 16.176 ( -9.276 1.112 3.300) 9.908 16.370 ( -11.128 -11.628 -2.384) 16.271 16.551 ( -22.590 -5.532 -2.959) 23.445 17.028 ( -7.943 -15.278 -1.415) 17.278 17.273 ( -7.524 -22.580 -0.114) 23.801 17.513 ( -7.284 -25.810 2.268) 26.914 17.557 ( -9.594 -26.660 -1.380) 28.367 17.704 ( -24.996 -1.472 0.736) 25.050 18.060 ( -30.733 -3.435 -0.167) 30.925 18.633 ( -23.369 2.268 0.476) 23.483 19.643 ( 8.344 9.434 -0.733) 12.616 19.725 ( 11.394 5.703 -2.413) 12.968 19.916 ( 6.273 4.756 3.031) 8.435 20.785 ( 9.196 7.480 7.836) 14.210 20.932 ( 7.352 -1.715 -4.085) 8.584 20.992 ( -2.937 13.978 -6.723) 15.786 21.943 ( 3.972 -6.341 7.559) 10.636 21.975 ( -4.599 9.031 5.218) 11.399 22.097 ( -7.796 6.231 -4.499) 10.948 22.116 ( 2.504 -6.852 -5.453) 9.108 ======================= Grid point 149 (57/72) ======================= q-point: (-0.45 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.180 ( -17.527 6.180 1.735) 18.665 3.234 ( -19.100 1.379 -3.405) 19.450 3.330 ( -5.393 -5.234 2.000) 7.776 3.378 ( -17.558 1.799 1.468) 17.710 3.471 ( -19.591 1.891 -4.291) 20.144 3.685 ( -3.436 -1.113 18.970) 19.311 3.729 ( -23.483 1.113 3.318) 23.742 3.853 ( 0.209 -23.113 13.503) 26.769 4.172 ( -24.446 -4.637 17.613) 30.485 4.266 ( -0.641 -21.522 -0.897) 21.550 4.333 ( 2.232 -3.372 -21.391) 21.770 4.798 ( -3.801 -0.674 -25.582) 25.872 4.948 ( 5.953 -27.999 3.356) 28.821 5.183 ( 8.831 -25.842 -7.997) 28.456 5.272 ( 8.373 -5.633 -5.519) 11.503 5.397 ( 4.323 1.227 -0.770) 4.560 5.521 ( 18.196 -2.515 6.129) 19.365 5.586 ( 0.204 3.532 -3.817) 5.205 5.640 ( 18.927 2.331 -3.062) 19.314 5.826 ( -4.821 -0.649 -5.861) 7.617 5.922 ( -2.989 8.893 -0.201) 9.384 6.149 ( -4.340 2.262 -0.862) 4.969 6.265 ( 7.940 -4.897 4.039) 10.166 6.384 ( 5.755 -3.053 -0.664) 6.548 6.566 ( 8.847 -2.636 -7.332) 11.789 6.768 ( 5.084 3.804 2.887) 6.975 6.889 ( 4.057 7.110 2.445) 8.543 7.166 ( 7.955 -3.039 0.922) 8.566 7.301 ( 4.924 -2.124 9.536) 10.941 7.426 ( 5.807 -3.670 4.073) 7.986 7.535 ( 0.302 3.316 8.867) 9.472 7.735 ( -8.855 8.966 6.112) 14.006 7.785 ( -6.528 -1.846 -10.635) 12.614 7.890 ( -4.134 -1.618 2.714) 5.203 7.989 ( -1.503 -1.870 0.622) 2.478 8.215 ( -1.015 4.387 -2.437) 5.120 8.300 ( -1.132 -2.115 4.987) 5.534 8.349 ( 1.689 -1.697 2.619) 3.548 8.560 ( 0.443 -6.852 6.580) 9.510 8.641 ( 2.957 -10.890 7.332) 13.457 9.089 ( -6.036 0.532 -12.396) 13.798 9.203 ( -8.126 9.968 -11.464) 17.229 9.783 ( 1.441 1.607 -8.840) 9.100 9.791 ( 4.504 1.864 -8.706) 9.978 9.974 ( -4.247 15.716 11.895) 20.163 10.387 ( 7.009 1.373 12.634) 14.513 10.447 ( -3.680 8.298 -10.254) 13.695 10.578 ( 2.438 1.080 2.899) 3.939 10.795 ( -1.701 2.417 0.106) 2.957 10.930 ( -2.850 3.884 -2.840) 5.592 11.826 ( 13.876 1.264 -4.140) 14.535 12.042 ( -3.157 8.086 3.476) 9.351 12.137 ( 2.326 5.982 -2.454) 6.871 12.508 ( 8.066 0.904 11.499) 14.075 12.642 ( 6.326 4.243 -2.451) 8.001 13.488 ( 2.162 -4.765 1.321) 5.397 13.572 ( -2.174 -2.777 -1.751) 3.938 13.614 ( -5.034 5.930 -1.349) 7.895 13.774 ( -3.776 1.361 2.439) 4.697 13.928 ( 3.780 -9.946 -3.940) 11.346 14.120 ( 9.216 -2.532 0.834) 9.594 14.373 ( 1.883 0.157 -0.937) 2.109 14.397 ( 1.929 1.572 0.193) 2.496 14.532 ( -5.663 1.447 -0.291) 5.853 14.675 ( 6.941 -3.953 3.718) 8.811 14.789 ( 3.343 0.288 -2.742) 4.333 15.039 ( 0.753 2.590 -0.056) 2.698 15.552 ( 5.946 5.964 -0.896) 8.469 15.650 ( 1.151 3.178 -1.170) 3.577 16.006 ( -11.794 -6.256 7.057) 15.101 16.173 ( -6.254 -1.383 -2.615) 6.919 16.345 ( -10.065 -7.627 -3.611) 13.134 16.535 ( -6.390 -20.817 2.548) 21.925 17.176 ( -3.243 -16.197 -3.845) 16.960 17.293 ( -19.706 -0.258 -1.016) 19.734 17.580 ( -9.416 -26.590 3.121) 28.381 17.694 ( -28.061 -4.929 -0.157) 28.491 17.779 ( -7.930 -26.679 -0.313) 27.834 17.852 ( -6.878 -27.887 0.564) 28.728 18.311 ( -20.527 -0.105 0.113) 20.527 19.536 ( 4.220 15.379 -2.742) 16.182 19.764 ( 4.263 9.839 -0.456) 10.732 19.951 ( 8.725 3.182 5.214) 10.651 20.639 ( -2.719 17.799 -2.305) 18.152 20.801 ( 0.845 9.553 -0.708) 9.616 21.115 ( 8.636 -4.508 -0.467) 9.753 21.780 ( -5.581 8.453 3.892) 10.852 21.886 ( -8.513 6.799 -4.337) 11.726 22.091 ( 4.335 -5.706 7.121) 10.103 22.259 ( 3.097 -7.408 -5.364) 9.656 ======================= Grid point 150 (58/72) ======================= q-point: (-0.36 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( -35.359 13.136 0.636) 37.726 2.758 ( -31.874 9.167 -7.999) 34.117 3.089 ( -16.377 0.892 4.316) 16.960 3.260 ( -13.093 6.942 22.276) 26.755 3.402 ( -16.930 1.122 3.598) 17.345 3.461 ( -8.858 -2.580 3.825) 9.987 3.490 ( -4.826 -3.979 -4.939) 7.969 3.951 ( -8.191 2.044 8.685) 12.112 4.119 ( 1.514 -9.197 14.609) 17.329 4.258 ( -2.087 4.761 -8.825) 10.242 4.532 ( 1.519 -1.841 -7.271) 7.653 4.792 ( 0.448 -2.000 -31.133) 31.200 5.114 ( 0.171 9.730 -1.693) 9.877 5.269 ( -0.964 -0.120 0.661) 1.175 5.436 ( -0.183 12.349 -2.653) 12.632 5.507 ( 8.885 3.340 0.422) 9.501 5.574 ( 0.045 0.854 -3.522) 3.625 5.595 ( -2.848 9.027 -1.204) 9.542 5.754 ( 14.751 4.498 6.025) 16.557 5.893 ( -0.030 -1.971 -11.964) 12.125 5.939 ( 18.704 1.837 -7.527) 20.245 6.271 ( 1.450 -24.674 6.538) 25.566 6.504 ( 4.813 -8.196 5.786) 11.127 6.531 ( 7.378 -17.249 -1.345) 18.809 6.724 ( 5.974 -8.408 -5.279) 11.587 6.852 ( 8.928 -1.214 -1.858) 9.200 6.935 ( 11.139 1.292 7.056) 13.249 7.287 ( 3.763 1.712 1.315) 4.338 7.376 ( 3.040 -3.210 14.755) 15.403 7.427 ( -9.127 6.215 7.524) 13.362 7.513 ( 0.453 -2.306 7.723) 8.073 7.609 ( 5.705 -0.687 6.142) 8.411 7.752 ( -6.007 -6.749 -8.500) 12.405 7.829 ( -3.742 0.579 3.403) 5.091 8.039 ( -0.926 -4.819 -2.919) 5.710 8.098 ( -9.216 2.096 5.421) 10.895 8.229 ( 1.105 -1.642 -8.111) 8.349 8.539 ( -0.124 -4.784 -2.797) 5.543 8.680 ( 7.140 -2.635 0.229) 7.614 8.797 ( -1.040 -1.571 -2.219) 2.911 8.946 ( -3.526 -0.029 -2.757) 4.476 9.040 ( -6.488 -3.056 -0.829) 7.219 9.592 ( -4.242 20.382 11.945) 24.002 9.824 ( 1.245 0.704 -8.880) 8.995 9.843 ( 0.484 0.000 -9.687) 9.699 10.270 ( -4.018 10.125 -15.408) 18.869 10.393 ( -5.793 2.778 5.905) 8.727 10.580 ( 1.314 2.483 4.329) 5.161 10.666 ( -3.207 3.061 11.752) 12.561 10.933 ( 5.219 1.216 -8.138) 9.744 11.857 ( -0.062 5.155 8.683) 10.098 11.945 ( -0.040 4.184 -0.776) 4.256 12.177 ( 8.208 0.030 -7.104) 10.855 12.568 ( 7.660 -1.240 3.618) 8.562 12.839 ( 14.604 -3.226 5.708) 16.008 13.407 ( -11.315 4.579 -1.280) 12.274 13.573 ( -0.235 1.305 4.180) 4.385 13.594 ( -2.511 -4.339 0.045) 5.014 13.677 ( -2.970 -1.403 -2.972) 4.430 14.090 ( 2.519 -7.235 -2.869) 8.181 14.220 ( 0.341 -2.495 1.090) 2.743 14.390 ( -3.410 -5.666 -1.815) 6.857 14.499 ( -3.504 -7.021 0.776) 7.885 14.547 ( 9.153 -8.863 0.018) 12.741 14.768 ( 1.786 4.381 -0.834) 4.804 14.935 ( 13.471 -7.371 0.034) 15.356 15.138 ( 9.487 -5.712 1.591) 11.188 15.553 ( 4.660 3.236 -2.573) 6.229 15.671 ( 5.850 0.039 -1.262) 5.985 16.038 ( -1.121 -10.429 6.342) 12.258 16.144 ( -3.923 -8.595 -3.139) 9.955 16.333 ( -1.715 -0.659 -0.787) 1.999 16.784 ( -2.470 -21.113 3.788) 21.592 17.003 ( -19.898 -2.124 0.439) 20.016 17.351 ( -19.835 -8.802 -3.429) 21.969 17.420 ( -8.338 -13.984 -4.639) 16.929 17.877 ( -3.630 -27.735 3.806) 28.229 17.970 ( -12.446 -4.645 1.989) 13.433 18.082 ( -5.995 -25.683 -3.787) 26.644 18.257 ( -6.413 -27.871 1.533) 28.640 19.355 ( 2.669 17.976 -0.772) 18.190 19.602 ( -1.519 15.030 0.217) 15.108 20.016 ( 6.646 5.399 6.412) 10.697 20.321 ( -2.960 20.500 -10.214) 23.094 20.702 ( -0.491 6.619 3.781) 7.638 21.247 ( 4.219 -0.651 3.954) 5.819 21.620 ( -3.571 4.263 -0.203) 5.565 21.685 ( -7.751 6.019 -4.808) 10.928 22.214 ( 3.531 -4.092 7.400) 9.163 22.393 ( 3.177 -5.653 -5.769) 8.679 ======================= Grid point 151 (59/72) ======================= q-point: (-0.27 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( -32.860 14.337 7.800) 36.690 2.241 ( -22.168 9.873 -15.946) 29.038 2.837 ( -10.509 19.498 37.544) 43.591 2.919 ( -9.729 2.074 13.340) 16.641 3.224 ( -8.954 -0.739 -7.299) 11.576 3.443 ( -2.022 -5.847 0.709) 6.228 3.546 ( -0.305 1.640 -8.627) 8.787 3.697 ( -7.118 13.235 -24.817) 29.013 4.177 ( 0.448 9.908 8.025) 12.758 4.203 ( 2.084 2.470 19.722) 19.985 4.385 ( -0.476 17.953 0.003) 17.959 4.783 ( 0.564 12.606 -13.549) 18.516 4.836 ( -3.606 15.789 -14.490) 21.732 5.091 ( -5.148 22.910 -5.972) 24.229 5.192 ( -0.795 26.463 8.275) 27.738 5.439 ( -0.280 -4.590 -7.328) 8.652 5.544 ( 2.746 4.058 10.120) 11.244 5.606 ( 0.214 1.544 1.238) 1.991 5.779 ( 1.858 9.417 -22.973) 24.897 5.880 ( 7.710 2.102 -4.956) 9.403 6.131 ( 12.290 3.448 -9.345) 15.819 6.633 ( 3.911 -7.954 2.018) 9.090 6.682 ( 4.464 -11.893 18.494) 22.437 6.772 ( 9.686 -4.528 -0.750) 10.718 6.940 ( 4.166 -3.088 -0.884) 5.260 7.019 ( 0.357 6.272 1.085) 6.375 7.087 ( 2.918 -8.273 0.656) 8.797 7.308 ( -2.342 -22.022 7.732) 23.457 7.376 ( -1.146 -17.158 6.676) 18.447 7.462 ( 0.541 -5.928 19.792) 20.667 7.630 ( 5.192 -3.635 9.139) 11.122 7.688 ( 6.027 -1.018 5.136) 7.984 7.788 ( -4.115 -2.965 1.268) 5.228 7.807 ( -1.714 -7.232 -6.705) 10.010 7.957 ( -8.113 -3.651 2.374) 9.208 8.135 ( 2.429 -3.178 -10.611) 11.340 8.259 ( -1.808 -3.593 -18.392) 18.827 8.481 ( -3.504 5.599 -8.366) 10.659 8.588 ( -9.434 5.575 -6.927) 12.964 8.831 ( 2.318 -4.196 4.958) 6.897 9.035 ( 3.344 -8.486 0.523) 9.136 9.158 ( 3.772 -9.417 11.678) 15.469 9.224 ( -5.030 22.953 15.736) 28.280 9.758 ( -2.100 5.564 -9.532) 11.235 9.931 ( 3.430 -4.046 -14.003) 14.974 10.045 ( -4.358 14.108 -24.635) 28.722 10.197 ( -9.900 4.320 4.262) 11.612 10.534 ( -0.321 4.561 3.705) 5.885 10.686 ( 3.084 -2.113 13.798) 14.296 10.992 ( 3.486 -0.379 -6.771) 7.626 11.821 ( -1.404 -2.921 14.098) 14.466 11.887 ( -0.833 2.988 1.436) 3.418 12.314 ( 5.182 -7.052 -8.367) 12.108 12.744 ( 11.708 -2.096 1.428) 11.980 13.017 ( 3.290 -0.149 12.134) 12.573 13.234 ( -3.473 0.316 -2.861) 4.511 13.427 ( -7.612 4.132 5.849) 10.451 13.684 ( 0.759 -7.499 0.417) 7.549 13.770 ( 1.564 -11.067 -5.737) 12.564 14.178 ( -1.342 -3.869 -0.358) 4.111 14.228 ( -4.328 -4.020 0.058) 5.907 14.484 ( -2.708 -15.835 -3.377) 16.416 14.625 ( -0.959 -15.297 1.053) 15.363 14.712 ( 0.659 4.469 -0.870) 4.601 14.806 ( 5.079 -12.287 -0.113) 13.296 15.171 ( 3.464 -8.740 -2.715) 9.786 15.416 ( 15.166 -7.629 2.798) 17.206 15.577 ( 4.300 3.808 -1.799) 6.019 15.834 ( 12.225 -5.461 -0.124) 13.390 16.210 ( 5.392 -10.297 -0.565) 11.637 16.294 ( 0.632 0.566 0.915) 1.248 16.361 ( 8.410 -12.750 0.882) 15.299 16.722 ( -17.178 -1.032 0.410) 17.214 17.069 ( -21.694 -4.782 0.608) 22.223 17.106 ( -2.814 -19.416 6.348) 20.620 17.649 ( -0.103 -18.373 -11.514) 21.683 17.820 ( -8.624 0.306 0.315) 8.636 18.217 ( -1.000 -25.895 5.194) 26.430 18.386 ( -1.486 -22.854 -4.230) 23.290 18.605 ( -1.969 -26.759 1.265) 26.861 19.129 ( 0.681 17.303 2.139) 17.448 19.349 ( -2.563 16.232 1.895) 16.542 19.851 ( -1.762 23.278 -2.003) 23.430 20.133 ( 2.185 6.437 -6.677) 9.528 20.603 ( -2.221 4.691 7.062) 8.764 21.232 ( -0.499 4.794 7.364) 8.801 21.520 ( -5.135 4.647 -4.599) 8.313 21.595 ( 0.348 -2.331 -5.798) 6.258 22.292 ( 2.145 -1.527 8.337) 8.742 22.491 ( 2.310 -2.861 -6.996) 7.904 ======================= Grid point 152 (60/72) ======================= q-point: (-0.18 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 0.000 16.252 17.044) 23.551 1.948 ( 0.000 9.709 -22.761) 24.745 2.443 ( 0.000 24.683 42.695) 49.317 2.839 ( 0.000 0.926 16.444) 16.470 3.178 ( -0.000 -1.079 -11.863) 11.912 3.290 ( 0.000 24.568 -28.635) 37.730 3.523 ( -0.000 -6.141 3.058) 6.860 3.565 ( 0.000 10.310 -5.957) 11.908 3.936 ( 0.000 25.106 5.551) 25.713 3.966 ( 0.000 28.033 -1.725) 28.086 4.233 ( 0.000 10.603 11.001) 15.279 4.467 ( 0.000 23.029 3.202) 23.250 4.630 ( 0.000 21.800 -27.698) 35.248 4.728 ( 0.000 30.113 24.128) 38.587 4.757 ( 0.000 20.090 -9.116) 22.061 5.421 ( 0.000 7.621 -32.152) 33.043 5.508 ( 0.000 3.248 20.412) 20.669 5.646 ( -0.000 -5.188 2.385) 5.710 5.751 ( -0.000 -4.032 -8.885) 9.757 5.925 ( 0.000 0.390 -8.883) 8.891 6.162 ( 0.000 3.118 -14.319) 14.655 6.632 ( 0.000 5.674 17.186) 18.099 6.805 ( 0.000 5.156 1.829) 5.471 6.887 ( 0.000 8.468 -1.281) 8.564 6.944 ( -0.000 -12.406 12.518) 17.624 6.988 ( 0.000 9.185 1.242) 9.268 7.060 ( -0.000 -4.605 0.482) 4.631 7.553 ( -0.000 -6.661 24.152) 25.054 7.601 ( -0.000 -8.279 11.534) 14.198 7.714 ( -0.000 -13.977 10.002) 17.187 7.748 ( 0.000 1.171 0.797) 1.417 7.807 ( -0.000 -25.790 -1.318) 25.824 7.822 ( -0.000 -10.384 0.978) 10.430 7.907 ( -0.000 -8.779 -3.547) 9.468 7.986 ( -0.000 -7.493 -0.970) 7.555 8.176 ( -0.000 -0.308 -19.979) 19.982 8.301 ( -0.000 -6.038 -19.007) 19.943 8.430 ( 0.000 0.702 -3.069) 3.148 8.439 ( -0.000 -0.576 -7.774) 7.796 8.822 ( 0.000 24.826 15.244) 29.133 8.935 ( -0.000 -5.057 7.572) 9.106 9.191 ( -0.000 -8.640 3.230) 9.224 9.323 ( -0.000 -8.997 8.842) 12.614 9.633 ( 0.000 11.625 -15.457) 19.341 9.709 ( 0.000 22.880 -31.035) 38.558 10.079 ( -0.000 -9.196 -12.438) 15.468 10.084 ( 0.000 2.305 5.302) 5.782 10.461 ( 0.000 5.488 2.418) 5.998 10.752 ( -0.000 -3.812 11.892) 12.488 11.028 ( -0.000 -1.374 -5.596) 5.762 11.848 ( 0.000 1.482 3.931) 4.201 11.911 ( -0.000 -11.320 15.635) 19.303 12.509 ( -0.000 -14.736 -3.913) 15.247 12.805 ( 0.000 7.017 -5.399) 8.854 13.035 ( -0.000 -8.548 15.007) 17.271 13.262 ( 0.000 4.679 6.142) 7.721 13.352 ( -0.000 -7.737 4.158) 8.784 13.811 ( -0.000 -10.068 3.712) 10.730 14.027 ( -0.000 -23.905 -7.942) 25.190 14.194 ( -0.000 -2.407 1.266) 2.720 14.232 ( -0.000 -2.526 -1.150) 2.775 14.648 ( 0.000 4.608 -1.947) 5.002 14.748 ( -0.000 -24.451 -3.614) 24.717 14.886 ( -0.000 -22.343 1.131) 22.371 15.011 ( -0.000 -12.508 0.336) 12.513 15.303 ( -0.000 -8.048 -2.632) 8.468 15.538 ( 0.000 4.486 0.592) 4.525 15.667 ( -0.000 -9.471 -2.593) 9.819 16.046 ( -0.000 -7.467 2.543) 7.889 16.236 ( 0.000 3.892 -0.111) 3.894 16.497 ( -0.000 -14.769 -2.422) 14.966 16.531 ( 0.000 2.734 0.096) 2.736 16.685 ( -0.000 -15.363 2.928) 15.639 16.877 ( -0.000 -0.974 -0.015) 0.974 17.352 ( -0.000 -15.837 11.175) 19.383 17.754 ( 0.000 0.083 -0.001) 0.083 17.883 ( -0.000 -14.195 -14.213) 20.088 18.496 ( -0.000 -7.775 2.351) 8.122 18.551 ( 0.000 0.908 0.910) 1.286 18.767 ( 0.000 2.673 -6.876) 7.378 19.016 ( -0.000 -4.738 2.341) 5.284 19.189 ( 0.000 5.315 15.853) 16.721 19.535 ( 0.000 11.240 -14.871) 18.641 20.081 ( 0.000 3.458 -2.588) 4.319 20.541 ( 0.000 1.158 10.059) 10.125 21.162 ( 0.000 3.910 5.926) 7.100 21.426 ( 0.000 3.495 -7.163) 7.970 21.650 ( -0.000 -4.514 -5.659) 7.239 22.308 ( 0.000 1.419 9.021) 9.132 22.523 ( 0.000 0.852 -8.385) 8.428 ======================= Grid point 157 (61/72) ======================= q-point: ( 0.27 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 12.914 -0.000 10.162) 16.432 2.163 ( 8.275 -0.000 -13.496) 15.831 2.678 ( 1.617 -0.000 10.005) 10.134 2.898 ( -0.401 0.000 -9.085) 9.094 3.101 ( 21.130 -0.000 28.682) 35.625 3.228 ( -5.849 0.000 3.694) 6.918 3.504 ( -6.790 0.000 -5.750) 8.897 3.717 ( 15.362 -0.000 -19.411) 24.755 3.983 ( -8.958 0.000 15.052) 17.516 4.166 ( -17.516 0.000 16.539) 24.090 4.377 ( 23.506 -0.000 1.141) 23.533 4.396 ( -0.370 0.000 -2.817) 2.842 4.719 ( -13.709 0.000 -6.333) 15.101 4.841 ( -4.977 0.000 -15.805) 16.570 4.934 ( 7.601 -0.000 -14.511) 16.381 5.154 ( 21.185 -0.000 -0.274) 21.187 5.397 ( 25.464 -0.000 -0.972) 25.483 5.450 ( 7.928 -0.000 -6.660) 10.354 5.550 ( 4.562 -0.000 3.800) 5.937 5.659 ( 2.177 -0.000 -0.144) 2.182 5.896 ( 1.895 -0.000 -7.882) 8.107 5.987 ( -0.291 0.000 6.661) 6.667 6.228 ( 0.346 -0.000 -0.377) 0.512 6.486 ( -10.507 0.000 -17.487) 20.401 6.537 ( -22.010 0.000 4.022) 22.375 6.739 ( 0.485 -0.000 3.882) 3.912 7.013 ( -1.640 0.000 5.864) 6.089 7.060 ( 11.206 -0.000 -0.035) 11.206 7.395 ( -4.080 0.000 17.327) 17.801 7.529 ( 0.743 -0.000 0.368) 0.829 7.585 ( -3.895 0.000 -0.160) 3.898 7.708 ( -9.139 0.000 3.142) 9.664 7.740 ( -7.128 0.000 9.049) 11.519 7.970 ( -4.272 0.000 10.880) 11.688 8.033 ( -9.875 0.000 -17.803) 20.358 8.034 ( 2.720 -0.000 4.942) 5.641 8.167 ( -2.413 0.000 -8.560) 8.894 8.736 ( -10.849 0.000 10.608) 15.174 8.880 ( -12.128 0.000 7.426) 14.220 8.905 ( 10.887 -0.000 -1.755) 11.027 8.960 ( -13.258 0.000 2.305) 13.456 9.477 ( 15.354 -0.000 -11.196) 19.003 9.556 ( 8.243 -0.000 -13.865) 16.130 9.800 ( -7.843 0.000 -14.408) 16.404 10.145 ( 15.393 -0.000 18.599) 24.143 10.405 ( 4.521 -0.000 2.699) 5.266 10.673 ( -1.453 0.000 12.468) 12.552 10.675 ( 10.916 -0.000 -18.954) 21.872 10.929 ( -0.807 0.000 -5.567) 5.625 10.948 ( 5.678 -0.000 2.882) 6.368 11.404 ( 3.740 -0.000 -1.927) 4.207 12.263 ( 6.270 -0.000 2.354) 6.698 12.404 ( -9.147 0.000 10.958) 14.274 12.664 ( 4.100 -0.000 -3.092) 5.135 13.247 ( -0.915 0.000 0.854) 1.252 13.384 ( -1.442 0.000 4.767) 4.981 13.487 ( -4.006 0.000 -2.730) 4.848 13.613 ( 3.482 -0.000 0.672) 3.547 13.618 ( -5.797 0.000 -5.717) 8.142 13.843 ( -13.083 0.000 0.145) 13.084 14.054 ( 1.865 -0.000 0.317) 1.891 14.301 ( 6.961 -0.000 -0.696) 6.996 14.492 ( 1.415 -0.000 -2.174) 2.593 14.708 ( -8.205 0.000 2.385) 8.544 14.984 ( -13.134 0.000 7.246) 15.000 15.212 ( -12.489 0.000 -6.623) 14.137 15.502 ( -11.064 0.000 -3.984) 11.759 15.700 ( 5.307 -0.000 0.363) 5.319 16.042 ( -6.473 0.000 6.298) 9.031 16.252 ( 2.107 -0.000 0.203) 2.117 16.271 ( -15.213 0.000 -3.954) 15.718 16.504 ( 3.150 -0.000 -1.274) 3.398 16.664 ( -0.213 0.000 1.491) 1.506 16.695 ( -26.356 0.000 6.754) 27.208 16.765 ( -0.511 0.000 -0.564) 0.761 16.809 ( -14.706 0.000 -1.661) 14.799 16.984 ( -28.709 0.000 -5.288) 29.192 18.079 ( -23.807 0.000 1.364) 23.846 18.408 ( -30.999 0.000 -1.293) 31.026 19.022 ( -22.008 0.000 0.408) 22.012 19.508 ( 15.249 -0.000 4.544) 15.912 19.822 ( 8.220 -0.000 -0.560) 8.239 19.936 ( 9.074 -0.000 -5.773) 10.755 20.551 ( 17.946 -0.000 0.582) 17.956 21.040 ( 3.996 -0.000 1.800) 4.383 21.318 ( 3.386 -0.000 0.452) 3.416 21.743 ( -0.357 0.000 3.506) 3.524 21.878 ( 0.736 -0.000 -5.591) 5.639 22.270 ( -3.608 0.000 6.307) 7.266 22.400 ( -6.488 0.000 -4.895) 8.128 ======================= Grid point 158 (62/72) ======================= q-point: ( 0.36 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 8.709 -34.577 5.887) 36.140 2.498 ( 6.070 -31.522 -8.993) 33.337 2.842 ( 1.308 -18.773 5.208) 19.526 3.037 ( 1.044 -20.482 -3.393) 20.787 3.219 ( -3.761 -10.324 1.493) 11.089 3.339 ( -2.879 -2.368 5.726) 6.833 3.396 ( 4.246 -2.073 16.104) 16.783 3.689 ( -24.197 0.255 7.346) 25.289 3.840 ( -3.598 0.672 -1.307) 3.887 3.967 ( -13.518 2.449 6.759) 15.310 4.156 ( -26.454 0.703 0.672) 26.472 4.584 ( -0.216 -0.791 -22.162) 22.177 4.694 ( 1.584 1.009 -3.044) 3.577 4.866 ( 10.435 1.176 -3.749) 11.150 5.126 ( 18.248 2.434 -6.793) 19.623 5.324 ( 9.023 3.983 -2.001) 10.064 5.426 ( -0.844 -1.635 -2.298) 2.943 5.617 ( -0.041 -0.284 -3.000) 3.014 5.638 ( 0.608 6.118 -0.866) 6.209 5.783 ( 12.469 -5.330 2.044) 13.713 5.881 ( 3.401 -9.824 0.275) 10.399 5.965 ( 6.196 -1.601 -4.889) 8.053 6.205 ( -1.509 3.008 -1.815) 3.824 6.434 ( 7.427 0.089 -6.351) 9.772 6.551 ( 9.918 4.297 -1.404) 10.900 6.756 ( 0.521 -2.021 0.521) 2.151 7.030 ( 4.112 0.420 4.788) 6.326 7.132 ( 7.456 6.248 5.483) 11.166 7.394 ( -2.588 11.142 4.083) 12.146 7.471 ( 0.311 -10.347 11.332) 15.348 7.490 ( -4.893 3.430 0.046) 5.976 7.645 ( -4.476 -0.145 6.305) 7.734 7.716 ( -4.621 -8.613 -0.251) 9.778 7.893 ( -10.089 -0.053 -14.535) 17.693 7.943 ( -6.730 -6.584 11.562) 14.910 8.117 ( 2.188 -3.413 3.391) 5.285 8.128 ( 1.103 -0.598 -2.329) 2.645 8.553 ( -10.776 3.832 9.033) 14.574 8.685 ( -12.329 3.690 5.356) 13.940 8.746 ( -13.908 3.454 4.927) 15.154 9.024 ( 4.113 -1.538 -8.728) 9.771 9.619 ( 4.810 -2.144 -11.698) 12.829 9.676 ( -5.698 4.142 -14.789) 16.381 9.731 ( 13.718 0.103 -8.549) 16.164 10.319 ( 10.669 0.501 15.547) 18.862 10.480 ( 5.189 -0.550 3.020) 6.029 10.607 ( -0.629 7.621 12.721) 14.843 10.781 ( 4.925 0.302 -9.543) 10.743 10.880 ( 0.322 5.794 -6.548) 8.749 11.017 ( 1.776 -1.232 2.181) 3.071 11.550 ( 14.795 -1.557 -4.795) 15.630 12.319 ( 5.032 3.518 1.848) 6.412 12.348 ( 1.340 -0.278 8.125) 8.240 12.624 ( 1.420 11.693 -1.859) 11.925 13.282 ( -2.843 -8.454 0.016) 8.919 13.335 ( 2.548 12.873 2.352) 13.332 13.404 ( -0.649 2.300 1.729) 2.949 13.577 ( -1.028 -1.468 -6.394) 6.640 13.714 ( 1.476 -4.650 0.419) 4.897 13.750 ( -0.328 -2.690 -0.388) 2.738 14.032 ( 3.631 7.214 -0.360) 8.084 14.386 ( 6.209 0.838 -0.302) 6.272 14.534 ( 1.239 -2.170 -0.096) 2.500 14.620 ( -4.024 0.116 0.996) 4.147 14.779 ( -11.537 4.421 6.287) 13.863 15.025 ( -9.403 4.449 -5.956) 11.987 15.371 ( -11.328 -2.250 -4.414) 12.364 15.739 ( 2.541 4.504 3.071) 6.014 15.826 ( -7.062 6.402 7.065) 11.864 15.998 ( -8.968 7.887 -7.203) 13.947 16.233 ( -28.063 3.448 3.365) 28.473 16.328 ( -0.949 -1.220 1.253) 1.990 16.450 ( -30.531 -1.066 -4.093) 30.823 16.648 ( -3.286 -11.785 -0.284) 12.238 16.708 ( -6.040 -12.237 0.216) 13.648 16.880 ( -2.544 -16.651 -0.182) 16.845 16.912 ( -8.370 -18.673 0.312) 20.465 17.728 ( -25.873 0.926 0.817) 25.902 17.987 ( -31.561 -1.519 -0.630) 31.604 18.675 ( -25.835 0.753 0.431) 25.850 19.727 ( 15.493 0.490 2.844) 15.759 19.888 ( 5.332 3.288 -4.013) 7.440 20.027 ( 6.606 2.593 -0.262) 7.102 20.772 ( 12.751 -2.087 1.440) 13.000 21.048 ( 1.655 4.054 3.321) 5.495 21.280 ( -2.781 5.845 -5.290) 8.360 21.798 ( 4.470 -3.237 5.393) 7.717 21.926 ( 1.890 -4.174 -4.391) 6.346 22.177 ( -5.347 4.267 4.470) 8.172 22.270 ( -8.007 3.936 -3.608) 9.624 ======================= Grid point 159 (63/72) ======================= q-point: ( 0.45 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.847 ( 0.997 -25.856 -0.670) 25.883 3.085 ( 2.757 -36.079 0.489) 36.187 3.155 ( 0.889 -27.311 -0.668) 27.333 3.201 ( -14.213 -5.219 -1.994) 15.272 3.332 ( -19.266 -1.882 2.455) 19.513 3.460 ( -5.991 -5.472 6.076) 10.137 3.495 ( 2.668 -36.967 2.228) 37.130 3.531 ( -6.514 -21.241 0.749) 22.230 3.594 ( -30.714 1.414 -3.886) 30.991 3.764 ( -17.769 -3.737 8.655) 20.115 3.845 ( -5.196 -10.077 22.503) 25.198 4.324 ( -34.000 4.631 21.757) 40.631 4.685 ( 7.374 -4.041 -37.196) 38.135 4.925 ( -4.524 6.199 -28.587) 29.600 5.305 ( 16.362 2.737 -6.507) 17.820 5.444 ( 1.067 -0.310 -0.969) 1.475 5.526 ( 21.778 1.312 7.193) 22.972 5.631 ( 8.335 0.488 -3.516) 9.059 5.670 ( 11.858 0.355 -3.174) 12.281 5.974 ( 6.317 -0.893 4.306) 7.697 6.060 ( 3.687 8.058 -2.785) 9.289 6.187 ( 16.782 -2.504 0.219) 16.969 6.222 ( 12.026 -7.498 -2.180) 14.339 6.495 ( 0.548 14.226 -1.339) 14.300 6.543 ( 8.850 1.560 -2.683) 9.378 6.803 ( 1.623 -1.737 -1.450) 2.784 7.106 ( 7.860 1.322 6.209) 10.103 7.159 ( 2.693 8.093 6.898) 10.970 7.236 ( 2.718 -0.425 7.303) 7.804 7.385 ( -3.478 1.669 1.553) 4.159 7.551 ( -2.596 -1.461 4.980) 5.803 7.705 ( -0.661 -8.180 4.215) 9.226 7.767 ( -5.154 -6.315 -4.765) 9.442 7.780 ( -6.483 -3.590 -6.481) 9.845 7.913 ( -8.470 -4.556 8.210) 12.645 8.162 ( 4.098 -3.444 0.591) 5.385 8.256 ( 1.607 -5.605 3.805) 6.963 8.391 ( -6.111 0.077 6.688) 9.060 8.468 ( -10.093 3.440 4.951) 11.757 8.508 ( -11.996 3.689 6.424) 14.100 9.047 ( -3.730 -1.439 -11.967) 12.617 9.510 ( -4.626 8.959 -14.144) 17.370 9.716 ( 2.777 -3.458 -12.542) 13.303 9.857 ( 6.068 2.071 -7.774) 10.077 10.407 ( 2.388 6.448 12.098) 13.916 10.464 ( 4.244 9.406 14.681) 17.945 10.552 ( 3.421 -0.415 2.473) 4.241 10.741 ( -0.947 8.954 -4.567) 10.096 10.845 ( 1.298 1.887 -3.681) 4.336 11.011 ( -1.620 1.658 -0.707) 2.423 11.817 ( 20.638 -1.227 -5.100) 21.294 12.299 ( 2.833 7.614 2.370) 8.463 12.420 ( -0.975 13.493 -0.956) 13.562 12.454 ( 9.538 -1.095 6.113) 11.382 13.072 ( -0.052 22.759 -0.215) 22.760 13.365 ( -0.311 -6.665 -0.658) 6.705 13.471 ( 1.472 -5.208 5.644) 7.820 13.634 ( 0.190 -6.269 -7.781) 9.993 13.737 ( 0.751 -0.057 2.408) 2.523 13.817 ( 2.575 1.996 -3.361) 4.681 14.050 ( 7.506 -0.789 0.401) 7.558 14.423 ( 1.045 2.636 0.204) 2.843 14.557 ( -1.793 3.461 3.956) 5.554 14.574 ( 0.373 2.567 2.005) 3.278 14.623 ( -0.739 -0.381 -1.849) 2.027 14.862 ( -2.405 6.044 -2.082) 6.830 15.201 ( -8.768 5.865 -2.597) 10.863 15.668 ( -12.917 -1.034 4.102) 13.592 15.729 ( -7.029 -0.688 1.071) 7.144 15.834 ( -10.398 -10.190 0.330) 14.562 15.933 ( -9.702 -2.218 -2.666) 10.303 16.048 ( -29.116 -5.219 -2.914) 29.723 16.354 ( 2.955 0.608 1.456) 3.350 16.783 ( -0.621 -11.522 -0.306) 11.542 16.875 ( -4.736 -20.882 0.060) 21.413 17.076 ( -7.911 -21.287 -0.291) 22.711 17.107 ( -5.023 -23.287 0.383) 23.826 17.369 ( -24.119 0.861 0.457) 24.139 17.601 ( -29.328 -2.928 -0.212) 29.475 18.328 ( -23.105 0.584 0.133) 23.113 19.848 ( 5.331 6.730 -1.253) 8.676 19.931 ( 10.231 2.892 -1.270) 10.708 20.048 ( 3.889 4.022 2.393) 6.085 20.952 ( 7.502 -0.522 3.872) 8.458 20.987 ( 0.410 4.214 0.586) 4.274 21.118 ( -3.787 9.302 -5.582) 11.490 21.919 ( 3.832 -4.620 4.258) 7.359 22.004 ( -3.040 0.967 -0.030) 3.190 22.044 ( -2.208 1.359 -0.272) 2.607 22.100 ( -5.093 3.623 -2.741) 6.825 ======================= Grid point 160 (64/72) ======================= q-point: (-0.45 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.909 ( -33.367 4.634 -2.401) 33.773 2.930 ( -28.620 2.719 -3.326) 28.940 3.095 ( -16.412 -0.842 1.661) 16.518 3.170 ( -7.667 -12.956 -3.017) 15.354 3.234 ( -11.331 -2.724 -1.389) 11.737 3.437 ( -19.000 -0.942 1.239) 19.063 3.487 ( -0.693 -23.794 9.572) 25.657 3.676 ( -3.784 0.192 24.409) 24.701 3.808 ( 2.588 -35.147 -0.040) 35.242 3.922 ( -12.118 -4.479 27.552) 30.431 4.140 ( 3.199 -36.751 -4.901) 37.214 4.403 ( 4.170 -52.009 7.425) 52.701 4.732 ( -7.695 3.027 -37.865) 38.757 4.885 ( 5.955 -13.311 -33.739) 36.755 5.379 ( 1.306 2.776 -0.938) 3.208 5.537 ( 9.058 1.937 -3.500) 9.902 5.630 ( 0.596 2.431 -2.532) 3.560 5.746 ( 9.655 7.343 4.549) 12.955 5.868 ( 10.353 3.458 -5.530) 12.236 6.010 ( 7.764 7.322 4.866) 11.729 6.054 ( 16.778 4.429 1.640) 17.430 6.211 ( -4.962 17.597 -0.243) 18.285 6.431 ( 15.124 1.453 1.926) 15.315 6.469 ( 10.748 -1.646 0.740) 10.899 6.665 ( 8.698 -1.451 -4.763) 10.022 6.843 ( 2.855 -0.743 -4.021) 4.987 7.056 ( 5.268 6.573 13.783) 16.153 7.254 ( 9.326 -2.161 2.787) 9.971 7.306 ( 0.001 -0.980 6.587) 6.660 7.420 ( 4.852 -6.000 10.203) 12.793 7.530 ( -4.560 -1.785 -1.620) 5.158 7.667 ( -11.332 1.180 0.714) 11.415 7.692 ( -5.526 2.179 -1.072) 6.036 7.777 ( -4.413 -4.917 2.131) 6.942 7.920 ( -2.370 -5.196 0.638) 5.747 8.212 ( -10.971 4.349 10.890) 16.058 8.224 ( -2.960 1.805 -2.382) 4.206 8.331 ( 2.218 -6.425 -0.817) 6.846 8.436 ( -0.217 -10.119 3.349) 10.661 8.531 ( 1.978 -11.001 2.021) 11.359 8.974 ( -8.769 -1.482 -6.084) 10.775 9.297 ( -3.919 13.808 -13.909) 19.987 9.785 ( 1.177 -2.408 -12.389) 12.676 9.853 ( -0.736 2.211 -10.984) 11.229 10.188 ( -1.452 18.867 12.614) 22.742 10.462 ( -1.149 3.144 8.528) 9.162 10.554 ( 1.443 8.676 -3.305) 9.395 10.629 ( 1.482 2.892 2.826) 4.307 10.769 ( -5.861 3.642 9.654) 11.866 10.989 ( 3.366 2.340 -8.554) 9.485 12.092 ( 17.466 5.193 -2.716) 18.423 12.147 ( -2.357 12.834 2.830) 13.352 12.273 ( 4.929 6.676 -2.731) 8.736 12.660 ( 11.829 0.495 8.632) 14.652 12.812 ( 3.726 11.352 -3.275) 12.388 13.453 ( 0.925 -4.935 -0.950) 5.110 13.470 ( -9.722 0.151 -0.585) 9.741 13.644 ( -1.532 -0.704 3.784) 4.142 13.734 ( -1.619 4.151 -2.451) 5.085 13.894 ( 7.420 -5.341 -2.370) 9.444 14.158 ( 1.651 -2.434 0.254) 2.952 14.366 ( -2.986 2.678 0.201) 4.016 14.462 ( 1.945 3.131 0.632) 3.740 14.515 ( -4.290 6.102 -0.626) 7.486 14.739 ( 9.477 -5.720 0.554) 11.083 14.842 ( 3.889 -0.093 -0.977) 4.011 15.062 ( -2.374 1.142 2.723) 3.789 15.460 ( -16.030 -9.402 -3.933) 18.996 15.733 ( 2.145 2.394 0.867) 3.329 15.775 ( -14.669 -7.811 2.686) 16.834 15.924 ( 0.458 -3.721 -1.233) 3.946 16.050 ( -7.406 -28.761 -1.319) 29.728 16.389 ( 3.742 1.717 0.878) 4.210 16.945 ( -0.458 -13.353 -1.170) 13.412 17.023 ( -19.532 1.377 0.014) 19.580 17.130 ( -4.309 -25.095 0.629) 25.470 17.266 ( -24.799 -4.146 -0.027) 25.144 17.317 ( -6.894 -25.160 -0.786) 26.100 17.386 ( -5.438 -26.807 1.074) 27.374 18.042 ( -17.995 -0.069 0.019) 17.995 19.769 ( 2.753 11.615 -2.315) 12.159 19.938 ( 1.965 9.093 -0.141) 9.304 20.090 ( 7.001 1.320 3.537) 7.954 20.816 ( -3.163 13.818 -1.270) 14.232 20.921 ( -1.521 8.543 -0.560) 8.695 21.145 ( 5.429 -5.200 0.484) 7.533 21.830 ( -4.370 8.454 1.699) 9.667 21.881 ( -6.577 7.618 -2.375) 10.341 22.060 ( 3.048 -6.113 3.985) 7.908 22.190 ( 2.546 -7.981 -3.056) 8.917 ======================= Grid point 161 (65/72) ======================= q-point: (-0.36 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( -32.288 9.613 4.332) 33.966 2.473 ( -23.148 6.816 -10.176) 26.188 2.921 ( -9.003 -0.106 6.261) 10.967 3.184 ( -7.031 -3.010 -0.241) 7.652 3.251 ( -5.876 -2.262 1.710) 6.525 3.347 ( -0.071 -13.229 -5.975) 14.516 3.371 ( -8.325 13.018 31.458) 35.049 3.876 ( -1.476 -16.755 8.945) 19.051 3.925 ( 1.188 -7.819 18.577) 20.191 4.309 ( -0.618 -4.747 -14.530) 15.298 4.342 ( 1.060 -19.205 -11.875) 22.605 4.756 ( 0.657 -6.895 -32.570) 33.298 5.096 ( 4.371 -28.414 2.751) 28.879 5.279 ( 1.815 -31.698 -9.739) 33.210 5.349 ( 1.522 9.351 0.502) 9.488 5.542 ( -4.175 -14.030 -3.439) 15.037 5.600 ( 0.394 0.758 -3.880) 3.973 5.705 ( 3.360 6.328 0.338) 7.173 5.774 ( -4.183 23.282 -2.017) 23.741 5.948 ( 5.752 3.742 -3.886) 7.886 6.077 ( -0.062 -2.007 3.528) 4.060 6.263 ( 16.950 6.134 0.819) 18.044 6.540 ( 6.690 6.694 -1.812) 9.635 6.558 ( 5.694 1.080 6.637) 8.812 6.803 ( 7.291 -2.291 -1.943) 7.885 6.923 ( 4.785 -2.659 -9.122) 10.639 7.119 ( 10.021 2.003 20.168) 22.609 7.325 ( -0.985 -2.779 11.134) 11.518 7.356 ( -2.934 3.615 5.922) 7.533 7.387 ( -6.725 4.827 2.012) 8.519 7.532 ( 2.278 -3.034 3.959) 5.483 7.587 ( -1.649 -5.577 1.492) 6.004 7.655 ( 3.016 -2.840 8.527) 9.480 7.780 ( -1.670 -1.541 -2.214) 3.172 7.959 ( -7.003 1.919 3.985) 8.282 8.009 ( -2.184 -2.740 -3.240) 4.772 8.216 ( 0.888 -0.985 -8.764) 8.864 8.405 ( -6.513 -6.029 -8.247) 12.115 8.603 ( -0.586 -10.997 3.638) 11.598 8.721 ( 1.083 -13.298 -4.727) 14.155 8.924 ( -2.166 -5.441 12.205) 13.537 9.033 ( -2.556 17.814 -12.940) 22.165 9.795 ( 0.049 4.900 -8.251) 9.596 9.828 ( -0.909 -1.205 -14.722) 14.799 9.900 ( -1.263 17.325 10.046) 20.066 10.321 ( -6.790 6.308 2.997) 9.741 10.419 ( -1.100 10.999 -8.315) 13.832 10.627 ( 0.884 2.000 5.374) 5.801 10.685 ( -0.052 1.661 15.848) 15.935 11.013 ( 3.184 1.621 -8.430) 9.156 11.940 ( -2.089 10.312 4.886) 11.601 12.073 ( 2.000 10.754 -0.163) 10.940 12.328 ( 7.062 7.438 -5.048) 11.432 12.704 ( 11.472 0.680 6.408) 13.158 12.985 ( 12.739 -3.829 0.202) 13.304 13.261 ( -14.825 1.583 -4.115) 15.467 13.506 ( -3.312 -1.754 1.632) 4.088 13.592 ( -5.868 0.830 1.044) 6.018 13.666 ( 4.034 3.944 1.148) 5.757 14.063 ( 5.736 -4.351 -2.362) 7.578 14.150 ( -4.889 -1.872 -0.339) 5.247 14.285 ( -5.508 -0.480 -1.589) 5.753 14.409 ( -2.544 0.218 0.789) 2.672 14.529 ( 3.318 -5.979 -0.238) 6.843 14.858 ( 1.751 4.827 -0.064) 5.135 14.923 ( 1.912 -8.686 -1.825) 9.079 15.173 ( 8.681 -9.418 4.555) 13.594 15.539 ( 2.136 -13.179 -4.465) 14.078 15.727 ( 1.268 2.861 -0.196) 3.136 15.787 ( -5.954 -15.985 2.192) 17.198 16.062 ( 8.130 -7.100 0.206) 10.796 16.380 ( 1.946 -8.992 -0.013) 9.200 16.411 ( -1.932 -17.178 0.917) 17.311 16.765 ( -13.716 2.139 0.104) 13.882 16.988 ( -18.869 -2.704 -0.294) 19.064 17.151 ( -1.135 -16.176 -2.537) 16.412 17.453 ( -1.986 -27.962 1.404) 28.068 17.621 ( -3.052 -28.704 -1.224) 28.892 17.720 ( -1.942 -26.708 1.174) 26.804 17.855 ( -11.440 -4.766 0.232) 12.395 19.613 ( 1.407 15.360 -1.048) 15.460 19.790 ( -0.289 13.578 -0.698) 13.599 20.141 ( 3.631 2.736 4.592) 6.462 20.554 ( -2.057 18.264 -5.700) 19.243 20.791 ( -1.132 8.117 2.381) 8.534 21.266 ( 2.563 -3.651 2.091) 4.927 21.665 ( -2.399 8.331 -0.029) 8.669 21.705 ( -3.463 7.547 -2.642) 8.714 22.177 ( 1.682 -6.170 4.771) 7.978 22.330 ( 1.634 -7.985 -3.768) 8.979 ======================= Grid point 162 (66/72) ======================= q-point: (-0.27 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 0.000 12.527 10.437) 16.305 2.201 ( 0.000 8.381 -15.809) 17.893 2.857 ( 0.000 0.258 10.921) 10.924 3.061 ( 0.000 20.091 36.847) 41.968 3.147 ( -0.000 -1.212 -6.446) 6.559 3.326 ( -0.000 -7.902 1.312) 8.010 3.499 ( -0.000 -8.092 -7.309) 10.904 3.827 ( 0.000 10.264 -15.993) 19.003 4.158 ( -0.000 -11.732 17.942) 21.437 4.243 ( 0.000 2.905 2.337) 3.728 4.543 ( 0.000 1.417 -5.073) 5.268 4.836 ( -0.000 -3.545 -33.217) 33.405 5.095 ( 0.000 21.589 0.257) 21.591 5.258 ( -0.000 -5.102 -1.139) 5.228 5.383 ( 0.000 25.381 -1.342) 25.417 5.543 ( 0.000 7.624 1.916) 7.861 5.583 ( -0.000 -4.699 -3.847) 6.073 5.634 ( 0.000 6.239 6.428) 8.958 5.886 ( -0.000 -7.128 -15.366) 16.939 5.947 ( 0.000 1.971 -8.389) 8.618 6.281 ( -0.000 -31.771 8.833) 32.976 6.298 ( 0.000 6.246 -1.679) 6.468 6.597 ( -0.000 -2.369 4.458) 5.048 6.637 ( -0.000 -23.664 -3.968) 23.995 6.886 ( 0.000 0.055 0.933) 0.934 7.018 ( -0.000 -6.060 -4.847) 7.760 7.139 ( 0.000 9.173 0.588) 9.192 7.248 ( 0.000 8.751 0.956) 8.803 7.249 ( -0.000 -3.672 30.229) 30.451 7.383 ( -0.000 -4.940 15.533) 16.300 7.635 ( -0.000 -9.118 -3.944) 9.934 7.671 ( -0.000 -0.508 17.711) 17.719 7.752 ( -0.000 -6.021 0.282) 6.028 7.792 ( 0.000 4.114 5.456) 6.833 7.799 ( -0.000 -2.093 -1.813) 2.769 8.115 ( -0.000 -6.964 -15.058) 16.591 8.226 ( 0.000 2.291 -22.679) 22.795 8.377 ( -0.000 -4.413 -3.294) 5.507 8.736 ( -0.000 -9.610 4.588) 10.649 8.753 ( 0.000 18.655 -11.019) 21.666 8.909 ( -0.000 -12.210 0.899) 12.244 9.045 ( -0.000 -10.296 12.813) 16.437 9.535 ( 0.000 24.445 14.221) 28.281 9.806 ( 0.000 3.420 -9.648) 10.236 9.871 ( -0.000 -5.272 -15.292) 16.175 10.179 ( 0.000 6.392 0.656) 6.426 10.243 ( 0.000 13.114 -12.609) 18.192 10.591 ( 0.000 3.784 4.977) 6.252 10.687 ( -0.000 -0.743 15.500) 15.518 11.020 ( 0.000 0.754 -7.541) 7.578 11.822 ( 0.000 4.564 8.806) 9.919 11.955 ( 0.000 7.512 0.112) 7.513 12.298 ( 0.000 0.911 -5.819) 5.890 12.880 ( -0.000 -3.895 14.272) 14.794 12.984 ( 0.000 5.856 -5.593) 8.098 13.230 ( -0.000 -4.578 -5.463) 7.127 13.395 ( 0.000 4.670 6.405) 7.927 13.613 ( -0.000 -4.406 -0.143) 4.408 13.680 ( -0.000 -2.964 -1.570) 3.354 14.132 ( -0.000 -1.865 0.328) 1.894 14.153 ( -0.000 -3.024 -1.279) 3.283 14.292 ( -0.000 -8.247 -3.630) 9.011 14.448 ( -0.000 -8.359 1.124) 8.435 14.678 ( -0.000 -11.072 -0.028) 11.072 14.793 ( 0.000 5.722 -0.435) 5.738 15.057 ( -0.000 -9.613 -1.848) 9.789 15.397 ( -0.000 -10.777 0.674) 10.798 15.668 ( 0.000 4.822 -0.101) 4.824 15.774 ( -0.000 -13.387 0.964) 13.422 16.016 ( -0.000 -19.814 -0.985) 19.839 16.280 ( -0.000 -12.388 1.291) 12.455 16.350 ( 0.000 4.238 0.079) 4.238 16.617 ( 0.000 3.407 0.069) 3.408 16.776 ( -0.000 -26.225 3.027) 26.399 16.850 ( -0.000 -0.915 -0.014) 0.915 17.387 ( -0.000 -19.010 -6.309) 20.030 17.759 ( 0.000 0.238 -0.003) 0.238 17.830 ( -0.000 -28.773 2.851) 28.914 18.004 ( -0.000 -29.317 -2.288) 29.406 18.163 ( -0.000 -33.117 2.100) 33.184 19.391 ( 0.000 18.462 0.464) 18.468 19.574 ( 0.000 17.291 -1.269) 17.338 20.090 ( 0.000 10.095 7.047) 12.312 20.290 ( 0.000 16.585 -10.478) 19.618 20.674 ( 0.000 7.493 4.392) 8.685 21.291 ( 0.000 2.697 5.195) 5.854 21.558 ( 0.000 5.204 -1.121) 5.324 21.599 ( 0.000 3.694 -5.633) 6.736 22.264 ( -0.000 -4.532 6.604) 8.010 22.441 ( -0.000 -6.301 -5.375) 8.282 ======================= Grid point 169 (67/72) ======================= q-point: ( 0.36 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 7.075 -0.000 6.153) 9.377 2.342 ( 4.752 -0.000 -9.140) 10.302 2.728 ( 1.869 -0.000 7.272) 7.509 2.909 ( 0.849 -0.000 -4.941) 5.013 3.089 ( -3.825 0.000 0.861) 3.920 3.158 ( -15.074 0.000 -2.551) 15.289 3.353 ( -23.172 0.000 3.342) 23.412 3.477 ( -2.035 0.000 12.989) 13.148 3.636 ( -32.620 0.000 -3.230) 32.779 3.754 ( -17.020 0.000 13.728) 21.867 3.826 ( -15.183 0.000 12.517) 19.677 4.398 ( -33.065 0.000 22.340) 39.904 4.643 ( 6.828 -0.000 -37.677) 38.290 5.028 ( 1.605 -0.000 -28.149) 28.194 5.376 ( 14.627 -0.000 -13.434) 19.860 5.413 ( 0.113 -0.000 -0.552) 0.563 5.552 ( 19.979 -0.000 7.158) 21.223 5.641 ( 2.329 -0.000 -1.868) 2.985 5.667 ( 17.636 -0.000 -4.641) 18.236 5.928 ( 12.352 -0.000 6.800) 14.100 6.076 ( 16.381 -0.000 1.838) 16.484 6.108 ( 20.754 -0.000 -3.997) 21.135 6.232 ( 1.337 -0.000 -0.543) 1.443 6.574 ( 9.526 -0.000 0.401) 9.534 6.748 ( 1.538 -0.000 -4.728) 4.972 6.756 ( 11.951 -0.000 -0.307) 11.955 7.107 ( 6.589 -0.000 3.842) 7.627 7.317 ( 6.375 -0.000 -0.427) 6.390 7.323 ( -2.667 0.000 16.175) 16.393 7.430 ( -6.653 0.000 1.493) 6.818 7.489 ( -7.026 0.000 6.719) 9.721 7.523 ( -2.136 0.000 -0.444) 2.182 7.590 ( -4.432 0.000 2.801) 5.243 7.754 ( -9.884 0.000 -11.373) 15.068 7.791 ( -7.621 0.000 11.459) 13.762 8.131 ( 0.281 -0.000 -3.377) 3.388 8.136 ( 4.760 -0.000 5.225) 7.068 8.424 ( -10.730 0.000 7.153) 12.896 8.537 ( -12.569 0.000 4.910) 13.494 8.574 ( -14.028 0.000 7.114) 15.729 9.027 ( -2.603 0.000 -11.269) 11.566 9.639 ( -4.000 0.000 -15.620) 16.125 9.659 ( 3.362 -0.000 -13.285) 13.704 9.886 ( 7.189 -0.000 -7.396) 10.314 10.440 ( 6.914 -0.000 12.562) 14.339 10.543 ( 3.934 -0.000 4.485) 5.966 10.662 ( 0.355 -0.000 13.966) 13.970 10.829 ( 1.328 -0.000 -1.828) 2.259 10.926 ( 0.364 -0.000 -6.922) 6.931 11.026 ( 0.780 -0.000 -0.707) 1.052 11.796 ( 21.833 -0.000 -4.740) 22.342 12.411 ( 4.401 -0.000 1.220) 4.567 12.413 ( 8.728 -0.000 4.944) 10.031 12.764 ( 3.030 -0.000 -1.372) 3.326 13.108 ( -8.126 0.000 0.692) 8.156 13.405 ( 5.014 -0.000 4.156) 6.512 13.548 ( 0.573 -0.000 -6.822) 6.846 13.635 ( -0.938 0.000 0.348) 1.001 13.655 ( 8.515 -0.000 -0.596) 8.535 13.754 ( 4.930 -0.000 1.960) 5.305 14.152 ( 4.349 -0.000 -0.030) 4.349 14.471 ( 5.147 -0.000 -0.520) 5.173 14.531 ( 1.022 -0.000 2.574) 2.770 14.600 ( 1.041 -0.000 -2.475) 2.685 14.669 ( -7.159 0.000 7.638) 10.468 14.901 ( -10.257 0.000 -10.692) 14.816 15.166 ( -12.644 0.000 -0.067) 12.644 15.647 ( -25.089 0.000 5.284) 25.639 15.705 ( -38.779 0.000 1.173) 38.797 15.827 ( 3.833 -0.000 0.390) 3.853 15.981 ( -25.669 0.000 -0.675) 25.678 16.021 ( -9.884 0.000 -3.892) 10.623 16.300 ( 1.330 -0.000 0.067) 1.332 16.579 ( 2.132 -0.000 -1.254) 2.473 16.648 ( -5.715 0.000 0.543) 5.741 16.668 ( 0.520 -0.000 1.389) 1.483 16.758 ( 0.020 -0.000 -0.349) 0.350 17.388 ( -24.489 0.000 0.513) 24.494 17.559 ( -29.244 0.000 -0.299) 29.245 18.336 ( -23.784 0.000 0.085) 23.784 19.915 ( 10.390 -0.000 2.134) 10.607 19.982 ( 5.976 -0.000 -3.614) 6.984 20.111 ( 3.407 -0.000 0.756) 3.490 20.896 ( 8.131 -0.000 0.873) 8.177 21.083 ( -0.442 0.000 3.965) 3.989 21.256 ( -5.890 0.000 -5.069) 7.771 21.846 ( 4.997 -0.000 3.284) 5.980 21.929 ( 2.479 -0.000 -2.703) 3.668 22.124 ( -6.180 0.000 2.276) 6.586 22.187 ( -7.736 0.000 -1.895) 7.965 ======================= Grid point 170 (68/72) ======================= q-point: ( 0.45 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( 3.071 -28.645 2.606) 28.927 2.618 ( 2.867 -30.908 -5.243) 31.480 2.875 ( 0.922 -16.297 3.786) 16.756 2.932 ( -21.103 -1.050 -1.965) 21.220 3.052 ( -20.887 -3.223 -0.161) 21.135 3.070 ( -3.984 -18.094 -0.687) 18.540 3.112 ( -31.450 0.506 -0.882) 31.467 3.169 ( -1.827 -17.684 -1.024) 17.808 3.245 ( -22.650 0.213 -1.864) 22.727 3.476 ( -20.939 0.072 1.750) 21.012 3.810 ( 4.567 -1.664 35.522) 35.853 3.994 ( -19.090 3.396 35.056) 40.061 4.763 ( 7.878 -1.285 -43.220) 43.951 4.920 ( -6.699 5.539 -44.523) 45.364 5.403 ( -1.139 -0.344 -0.947) 1.521 5.588 ( 15.033 1.424 -4.659) 15.802 5.670 ( 2.191 0.572 -1.374) 2.649 5.849 ( 20.662 0.956 1.135) 20.715 5.972 ( 20.923 3.231 2.100) 21.275 6.049 ( 5.842 -0.269 7.224) 9.295 6.201 ( 4.948 2.031 0.521) 5.373 6.350 ( 17.263 -4.203 2.586) 17.954 6.427 ( 18.709 -0.441 -1.202) 18.753 6.655 ( 5.794 4.679 7.757) 10.753 6.764 ( 5.760 10.808 -6.400) 13.818 6.816 ( 4.231 1.641 -7.490) 8.757 7.202 ( 5.795 -0.900 3.896) 7.041 7.265 ( 0.329 2.172 10.312) 10.543 7.293 ( 0.460 6.086 13.610) 14.916 7.345 ( -4.169 1.082 2.312) 4.889 7.460 ( -4.500 -4.689 -0.801) 6.548 7.567 ( -2.751 -7.778 2.613) 8.654 7.579 ( -6.508 -8.643 0.324) 10.824 7.652 ( -5.896 -3.070 -4.676) 8.127 7.735 ( -5.712 -4.550 4.622) 8.642 8.162 ( 2.432 -2.600 0.421) 3.585 8.227 ( 3.055 -2.735 -0.669) 4.155 8.298 ( -6.711 -0.325 4.358) 8.008 8.363 ( -9.816 1.568 5.767) 11.492 8.384 ( -10.756 1.381 7.937) 13.438 8.949 ( -8.859 -0.383 -7.216) 11.433 9.561 ( -2.469 5.117 -15.701) 16.697 9.710 ( 1.942 -2.007 -13.936) 14.213 9.908 ( -2.139 1.258 -10.336) 10.630 10.484 ( -0.311 1.922 8.129) 8.359 10.589 ( 2.944 -0.427 5.024) 5.839 10.616 ( 0.850 7.214 14.305) 16.043 10.801 ( -2.944 2.206 9.586) 10.268 10.892 ( -0.374 5.376 -6.013) 8.075 11.038 ( 2.301 0.953 -7.624) 8.020 12.122 ( 24.690 -0.378 -2.654) 24.835 12.428 ( 2.901 4.910 1.291) 5.847 12.583 ( 13.509 -1.747 2.270) 13.810 12.623 ( -1.128 16.960 -0.846) 17.019 13.167 ( -3.326 -15.512 0.085) 15.865 13.380 ( -0.640 16.926 -0.511) 16.946 13.482 ( -1.336 5.125 2.362) 5.800 13.572 ( -1.132 -0.993 -0.569) 1.610 13.789 ( 8.240 -0.947 2.008) 8.534 13.886 ( 6.580 -0.941 -4.129) 7.825 14.143 ( 3.298 4.647 -0.319) 5.707 14.484 ( 1.228 4.931 0.140) 5.083 14.582 ( 1.499 0.430 3.679) 3.996 14.621 ( 3.463 0.504 0.581) 3.548 14.640 ( 3.150 -0.290 -0.198) 3.169 14.869 ( -2.117 -3.862 -4.236) 6.110 15.007 ( -15.816 -7.860 -2.602) 17.852 15.221 ( -32.729 -5.487 -1.181) 33.207 15.333 ( -20.525 -9.654 4.732) 23.171 15.667 ( -16.377 2.281 1.580) 16.610 15.867 ( 2.262 1.158 -1.195) 2.809 15.918 ( -2.515 2.554 -1.627) 3.936 16.380 ( 2.846 -5.707 0.369) 6.388 16.611 ( -3.709 -7.688 0.731) 8.567 16.668 ( 1.031 -7.606 -1.165) 7.763 16.765 ( -2.440 -12.112 0.749) 12.378 16.827 ( -1.237 -10.426 -0.164) 10.501 17.075 ( -20.095 0.753 0.167) 20.110 17.201 ( -24.323 -1.347 -0.039) 24.360 18.044 ( -18.404 0.092 -0.010) 18.404 19.972 ( 2.863 3.415 -1.664) 4.757 20.081 ( 7.362 1.379 -0.580) 7.512 20.129 ( 2.181 1.874 2.195) 3.617 21.001 ( 4.605 -2.366 0.024) 5.178 21.042 ( -1.610 3.649 3.453) 5.275 21.145 ( -5.011 4.178 -3.648) 7.475 21.919 ( 2.823 -2.332 1.571) 3.984 21.967 ( -1.205 -0.797 -1.105) 1.819 22.039 ( -2.501 1.488 1.078) 3.103 22.074 ( -4.461 2.389 -1.287) 5.221 ======================= Grid point 171 (69/72) ======================= q-point: (-0.45 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( -31.257 4.497 2.118) 31.650 2.598 ( -22.241 2.332 -6.398) 23.260 2.870 ( -1.211 -22.394 -2.415) 22.556 2.911 ( -9.142 -0.511 3.697) 9.875 3.053 ( -6.646 -4.937 -1.293) 8.380 3.135 ( -0.050 -26.191 4.843) 26.635 3.200 ( -3.800 -17.098 -0.715) 17.530 3.274 ( -7.387 -24.789 -1.276) 25.897 3.551 ( 0.899 -44.382 0.979) 44.402 3.562 ( 0.816 -29.360 3.159) 29.541 3.772 ( -5.951 0.741 32.048) 32.604 3.937 ( 2.661 -12.635 31.625) 34.160 4.748 ( -3.469 8.326 -44.273) 45.182 4.878 ( 4.487 -2.540 -43.657) 43.961 5.397 ( -0.381 -0.328 -2.271) 2.326 5.665 ( 1.884 3.177 -1.624) 4.035 5.686 ( 3.164 4.890 -4.392) 7.295 5.968 ( 4.797 9.575 4.594) 11.653 6.055 ( 7.984 3.983 -4.875) 10.167 6.098 ( 2.692 1.362 8.268) 8.801 6.378 ( 12.481 4.047 5.352) 14.170 6.470 ( 3.498 18.858 -0.512) 19.186 6.590 ( 8.111 -0.810 10.351) 13.176 6.636 ( 11.727 -0.959 -7.570) 13.991 6.756 ( 3.929 2.659 4.585) 6.598 6.886 ( 7.069 0.806 -16.077) 17.581 7.181 ( 2.797 2.895 23.806) 24.144 7.278 ( -1.142 -1.389 4.494) 4.840 7.333 ( 4.028 -1.495 1.654) 4.604 7.392 ( 2.307 -6.071 10.177) 12.073 7.410 ( -5.473 -3.057 2.443) 6.728 7.509 ( -10.139 -1.740 2.882) 10.683 7.608 ( -5.750 -3.576 5.482) 8.712 7.695 ( 0.631 -5.205 -5.355) 7.495 7.802 ( 1.271 -8.453 -6.934) 11.006 8.153 ( -7.217 5.989 14.410) 17.193 8.210 ( -1.792 1.085 -1.921) 2.843 8.264 ( -0.225 -3.447 -4.722) 5.850 8.307 ( 0.488 -8.706 1.772) 8.898 8.387 ( -2.953 -8.486 -5.672) 10.625 8.831 ( -8.187 -1.733 7.303) 11.107 9.432 ( -1.187 10.148 -15.396) 18.478 9.762 ( 0.725 -2.712 -13.896) 14.176 9.837 ( -3.953 1.180 -14.716) 15.283 10.373 ( -3.374 9.315 5.921) 11.542 10.496 ( -1.661 9.042 11.687) 14.869 10.633 ( 1.904 -0.193 6.135) 6.426 10.725 ( -0.508 4.445 11.540) 12.377 10.771 ( -2.080 8.666 -1.686) 9.070 11.060 ( 2.755 1.509 -9.197) 9.719 12.321 ( -0.521 14.666 3.004) 14.980 12.370 ( 4.317 11.118 -0.520) 11.938 12.474 ( 17.197 1.088 -1.069) 17.265 12.814 ( 12.423 -3.135 0.156) 12.813 13.070 ( 0.132 22.585 -0.613) 22.594 13.303 ( -14.540 0.896 -2.328) 14.753 13.345 ( -0.928 -11.950 -1.093) 12.036 13.568 ( -4.016 -0.621 5.668) 6.974 13.879 ( 7.325 7.650 -2.858) 10.970 13.980 ( 10.582 -0.622 0.376) 10.607 14.126 ( -3.326 0.573 -1.799) 3.825 14.373 ( -5.815 6.280 -0.483) 8.573 14.532 ( 0.220 5.127 0.541) 5.160 14.559 ( -4.137 7.076 -0.306) 8.202 14.735 ( -0.118 -4.500 -0.230) 4.508 14.865 ( 3.807 -6.753 3.428) 8.477 15.008 ( -1.714 -1.057 1.614) 2.580 15.096 ( -7.897 -16.683 -4.453) 18.987 15.453 ( -6.716 -19.542 -0.071) 20.664 15.521 ( -8.099 -17.893 1.910) 19.733 15.834 ( -0.316 3.118 -1.749) 3.589 15.942 ( 3.436 -2.615 0.253) 4.326 16.465 ( 3.584 1.131 0.455) 3.785 16.762 ( -3.499 -21.457 0.341) 21.744 16.797 ( 0.495 -9.510 -0.498) 9.536 16.828 ( -11.584 1.561 0.011) 11.689 16.939 ( -12.672 -5.567 0.051) 13.841 16.943 ( -5.976 -14.673 -0.457) 15.850 17.010 ( -2.328 -19.389 0.501) 19.534 17.843 ( -10.424 0.145 -0.011) 10.425 19.925 ( 1.287 7.388 -2.085) 7.784 20.061 ( 0.583 6.460 0.315) 6.494 20.176 ( 3.889 0.405 2.316) 4.545 20.931 ( -2.182 8.721 -0.260) 8.994 20.996 ( -1.806 6.036 -0.799) 6.351 21.127 ( 2.204 -4.660 0.652) 5.196 21.879 ( -2.560 5.471 -0.091) 6.041 21.913 ( -3.047 6.264 -0.543) 6.987 22.016 ( 1.275 -4.162 1.778) 4.702 22.119 ( 1.456 -6.238 -1.251) 6.527 ======================= Grid point 172 (70/72) ======================= q-point: (-0.36 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 0.000 7.324 6.659) 9.899 2.383 ( 0.000 4.759 -10.816) 11.817 2.853 ( -0.000 -0.419 6.386) 6.399 3.077 ( -0.000 -5.279 -1.095) 5.391 3.133 ( -0.000 -17.646 -4.268) 18.155 3.161 ( -0.000 -2.116 -0.886) 2.294 3.461 ( -0.000 -8.285 19.583) 21.263 3.578 ( -0.000 -6.919 20.983) 22.094 3.839 ( -0.000 -41.207 -3.279) 41.337 3.879 ( -0.000 -5.789 20.766) 21.558 4.182 ( -0.000 -36.318 -4.280) 36.569 4.467 ( -0.000 -54.101 5.855) 54.417 4.635 ( 0.000 0.164 -37.187) 37.187 4.980 ( -0.000 -10.597 -35.407) 36.959 5.399 ( -0.000 -0.317 -4.407) 4.418 5.569 ( 0.000 12.288 -0.691) 12.307 5.635 ( 0.000 3.076 -2.778) 4.144 5.861 ( 0.000 10.271 1.687) 10.409 6.044 ( 0.000 5.243 -6.512) 8.360 6.094 ( 0.000 1.880 7.504) 7.736 6.097 ( 0.000 25.493 -0.283) 25.495 6.488 ( 0.000 6.981 5.119) 8.657 6.613 ( 0.000 2.224 8.384) 8.674 6.719 ( 0.000 5.289 -3.221) 6.192 6.792 ( -0.000 -5.093 2.431) 5.644 6.931 ( -0.000 -0.308 -18.534) 18.537 7.223 ( -0.000 -0.499 34.840) 34.844 7.281 ( -0.000 -1.208 6.547) 6.658 7.336 ( 0.000 2.559 0.116) 2.562 7.391 ( -0.000 -0.453 0.265) 0.525 7.445 ( -0.000 -3.840 -4.144) 5.650 7.553 ( -0.000 -8.118 20.232) 21.800 7.599 ( -0.000 -2.848 4.759) 5.546 7.753 ( -0.000 -2.745 -5.899) 6.506 7.932 ( -0.000 -7.216 -12.079) 14.070 7.981 ( 0.000 8.817 12.919) 15.641 8.241 ( -0.000 -3.967 -0.775) 4.042 8.272 ( 0.000 1.053 -21.503) 21.529 8.434 ( -0.000 -11.264 2.337) 11.504 8.526 ( -0.000 -14.649 -1.717) 14.749 8.829 ( -0.000 -5.330 16.968) 17.786 9.251 ( 0.000 15.146 -14.613) 21.046 9.799 ( -0.000 -1.763 -13.266) 13.383 9.802 ( -0.000 -0.290 -16.645) 16.647 10.162 ( 0.000 18.324 10.744) 21.241 10.359 ( 0.000 7.222 6.642) 9.812 10.580 ( 0.000 12.304 -7.487) 14.403 10.654 ( 0.000 1.201 5.631) 5.757 10.701 ( 0.000 1.298 17.387) 17.435 11.058 ( 0.000 1.734 -8.662) 8.834 12.097 ( 0.000 14.660 2.696) 14.906 12.242 ( 0.000 11.176 0.291) 11.180 12.551 ( 0.000 13.209 -2.325) 13.412 12.824 ( 0.000 3.580 9.255) 9.923 13.052 ( -0.000 -6.408 -7.515) 9.876 13.114 ( 0.000 3.558 -4.788) 5.965 13.488 ( -0.000 -7.517 -1.608) 7.687 13.498 ( 0.000 2.671 6.114) 6.672 13.807 ( 0.000 10.011 1.900) 10.189 14.072 ( -0.000 -2.389 -1.380) 2.759 14.111 ( -0.000 -0.055 -0.825) 0.827 14.237 ( 0.000 2.494 -3.599) 4.379 14.434 ( 0.000 5.636 1.040) 5.731 14.498 ( -0.000 -0.334 -0.336) 0.474 14.813 ( -0.000 -7.545 -0.199) 7.548 14.941 ( 0.000 4.764 0.892) 4.847 15.078 ( -0.000 -12.542 3.977) 13.158 15.322 ( -0.000 -19.138 -4.357) 19.628 15.533 ( -0.000 -12.232 1.951) 12.387 15.787 ( 0.000 3.653 -0.756) 3.731 15.937 ( -0.000 -34.905 -0.212) 34.906 16.038 ( -0.000 -6.004 0.198) 6.007 16.455 ( 0.000 3.229 0.257) 3.239 16.707 ( 0.000 3.008 0.041) 3.009 16.830 ( -0.000 -0.568 -0.013) 0.568 16.949 ( -0.000 -12.561 -0.677) 12.579 17.072 ( -0.000 -25.832 0.546) 25.838 17.224 ( -0.000 -25.468 -1.297) 25.501 17.315 ( -0.000 -27.098 1.238) 27.126 17.767 ( 0.000 0.311 -0.006) 0.311 19.806 ( 0.000 11.476 -1.614) 11.589 19.951 ( 0.000 10.131 -0.131) 10.132 20.192 ( 0.000 1.254 3.082) 3.327 20.759 ( 0.000 13.906 -2.963) 14.218 20.891 ( 0.000 7.518 1.161) 7.608 21.218 ( -0.000 -5.643 1.031) 5.736 21.769 ( 0.000 8.301 0.059) 8.301 21.786 ( 0.000 7.965 -1.171) 8.050 22.101 ( -0.000 -6.331 2.531) 6.818 22.230 ( -0.000 -8.096 -1.975) 8.334 ======================= Grid point 181 (71/72) ======================= q-point: ( 0.45 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 1.942 -0.000 4.190) 4.618 2.424 ( 1.389 -0.000 -7.081) 7.216 2.556 ( -31.447 0.000 1.213) 31.471 2.627 ( -21.833 0.000 -5.111) 22.423 2.768 ( 0.820 -0.000 6.234) 6.288 2.905 ( -9.273 0.000 3.316) 9.848 2.927 ( 0.336 -0.000 -2.018) 2.046 3.009 ( -10.397 0.000 -1.874) 10.565 3.031 ( -0.723 0.000 -1.679) 1.828 3.233 ( -13.022 0.000 1.264) 13.083 3.846 ( -0.679 0.000 34.201) 34.208 3.872 ( -2.371 0.000 36.299) 36.376 4.835 ( 2.858 -0.000 -46.371) 46.459 4.900 ( -1.422 0.000 -48.982) 49.003 5.382 ( -1.014 0.000 0.168) 1.028 5.699 ( 1.381 -0.000 -0.732) 1.563 5.766 ( 8.311 -0.000 -4.283) 9.349 6.090 ( 12.019 -0.000 -4.800) 12.942 6.110 ( 3.285 -0.000 7.877) 8.535 6.209 ( -0.347 0.000 -0.083) 0.357 6.270 ( 13.448 -0.000 7.837) 15.565 6.536 ( 12.585 -0.000 8.596) 15.240 6.622 ( 9.303 -0.000 -6.807) 11.528 6.801 ( 9.126 -0.000 15.992) 18.413 6.905 ( 10.510 -0.000 -16.688) 19.722 6.972 ( 4.572 -0.000 -3.156) 5.555 7.231 ( -0.647 0.000 0.229) 0.686 7.265 ( -4.136 0.000 24.317) 24.666 7.319 ( -3.968 0.000 23.318) 23.653 7.322 ( -0.008 0.000 1.397) 1.397 7.346 ( -3.630 0.000 -2.356) 4.327 7.430 ( -3.883 0.000 -0.493) 3.914 7.458 ( -3.349 0.000 -0.367) 3.369 7.531 ( -5.469 0.000 -0.970) 5.554 7.688 ( 2.348 -0.000 -10.546) 10.805 8.169 ( 1.589 -0.000 1.326) 2.070 8.219 ( -3.988 0.000 1.429) 4.236 8.255 ( -5.704 0.000 0.081) 5.705 8.263 ( 3.218 -0.000 -11.756) 12.189 8.271 ( -7.136 0.000 17.097) 18.527 8.810 ( -9.905 0.000 5.616) 11.386 9.572 ( -1.105 0.000 -16.253) 16.290 9.716 ( 0.940 -0.000 -14.683) 14.713 9.857 ( -4.943 0.000 -14.552) 15.368 10.456 ( -4.295 0.000 3.271) 5.399 10.620 ( 1.841 -0.000 6.744) 6.991 10.675 ( 0.356 -0.000 14.463) 14.468 10.763 ( -3.265 0.000 17.219) 17.526 10.937 ( 0.277 -0.000 -7.562) 7.567 11.082 ( 2.675 -0.000 -9.408) 9.781 12.446 ( 21.524 -0.000 1.692) 21.590 12.494 ( 1.594 -0.000 0.671) 1.729 12.753 ( 12.445 -0.000 -2.475) 12.688 12.822 ( 1.124 -0.000 -0.569) 1.260 12.928 ( -3.706 0.000 0.384) 3.725 13.316 ( -13.170 0.000 -2.623) 13.428 13.564 ( -1.403 0.000 5.256) 5.440 13.606 ( -0.750 0.000 0.269) 0.797 13.924 ( 11.237 -0.000 0.360) 11.243 14.004 ( 12.136 -0.000 -3.091) 12.523 14.244 ( 1.916 -0.000 -0.014) 1.916 14.569 ( 1.888 -0.000 -0.638) 1.993 14.614 ( 2.648 -0.000 1.323) 2.961 14.654 ( -4.004 0.000 -1.510) 4.279 14.685 ( 0.059 -0.000 0.414) 0.418 14.698 ( -4.183 0.000 -1.970) 4.624 14.715 ( -13.023 0.000 2.226) 13.212 14.776 ( -18.577 0.000 -2.710) 18.773 15.090 ( -6.892 0.000 2.744) 7.418 15.541 ( -7.741 0.000 0.585) 7.763 15.889 ( -3.055 0.000 -1.601) 3.449 15.900 ( 1.387 -0.000 0.417) 1.449 16.323 ( 0.416 -0.000 -0.028) 0.417 16.541 ( -2.230 0.000 0.458) 2.276 16.615 ( 0.596 -0.000 -0.747) 0.956 16.684 ( 0.400 -0.000 0.717) 0.821 16.763 ( 0.238 -0.000 -0.092) 0.255 16.859 ( -11.759 0.000 -0.007) 11.759 16.922 ( -14.581 0.000 0.020) 14.581 17.846 ( -10.281 0.000 -0.015) 10.281 20.022 ( 1.264 -0.000 -1.751) 2.159 20.149 ( 0.738 -0.000 0.182) 0.761 20.180 ( 3.914 -0.000 1.628) 4.239 21.028 ( 1.414 -0.000 -0.645) 1.555 21.044 ( -1.130 0.000 3.047) 3.250 21.115 ( -2.963 0.000 -2.365) 3.791 21.929 ( 1.028 -0.000 0.013) 1.028 21.945 ( -1.708 0.000 -0.115) 1.712 22.024 ( -1.121 0.000 1.046) 1.533 22.048 ( -1.141 0.000 -0.997) 1.516 ======================= Grid point 182 (72/72) ======================= q-point: (-0.45 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 2.86e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 0.000 2.273 4.849) 5.356 2.459 ( 0.000 1.069 -8.199) 8.268 2.520 ( -0.000 -26.161 0.884) 26.176 2.661 ( -0.000 -32.023 -3.448) 32.209 2.842 ( -0.000 -0.280 4.603) 4.611 2.891 ( -0.000 -15.922 3.362) 16.273 2.958 ( -0.000 -2.355 -1.669) 2.886 3.081 ( -0.000 -23.102 0.829) 23.117 3.143 ( -0.000 -0.111 0.725) 0.733 3.162 ( -0.000 -20.802 -2.287) 20.927 3.793 ( 0.000 3.949 33.885) 34.114 3.889 ( -0.000 -1.672 35.182) 35.222 4.817 ( 0.000 4.410 -47.409) 47.614 4.895 ( 0.000 0.219 -47.359) 47.360 5.382 ( -0.000 -0.920 -0.527) 1.060 5.701 ( 0.000 1.194 -1.047) 1.588 5.791 ( 0.000 4.439 -4.484) 6.309 6.120 ( 0.000 7.475 2.070) 7.757 6.128 ( 0.000 0.694 8.994) 9.020 6.168 ( 0.000 3.281 -4.515) 5.581 6.426 ( -0.000 -7.026 5.898) 9.173 6.637 ( -0.000 -0.829 15.762) 15.784 6.694 ( -0.000 -1.731 -16.273) 16.365 6.751 ( 0.000 16.715 0.867) 16.738 6.910 ( 0.000 11.917 7.150) 13.897 6.992 ( 0.000 1.749 -18.058) 18.142 7.206 ( -0.000 -0.622 37.117) 37.122 7.237 ( -0.000 -1.915 1.378) 2.359 7.304 ( -0.000 -1.642 -0.784) 1.820 7.337 ( -0.000 -5.345 22.480) 23.106 7.348 ( -0.000 -1.230 0.528) 1.339 7.404 ( -0.000 -1.262 -1.272) 1.792 7.501 ( -0.000 -5.710 3.200) 6.546 7.573 ( -0.000 -10.276 -1.790) 10.431 7.747 ( -0.000 -4.001 -17.918) 18.359 8.182 ( 0.000 4.610 18.867) 19.423 8.192 ( -0.000 -0.493 -0.225) 0.542 8.217 ( -0.000 -4.495 0.621) 4.537 8.241 ( -0.000 -3.772 -0.436) 3.797 8.286 ( 0.000 0.006 -21.452) 21.452 8.740 ( -0.000 -1.471 17.554) 17.615 9.529 ( 0.000 5.212 -16.110) 16.932 9.735 ( -0.000 -1.803 -14.669) 14.780 9.814 ( 0.000 0.541 -16.754) 16.763 10.405 ( 0.000 2.433 2.450) 3.452 10.621 ( 0.000 6.750 13.366) 14.973 10.640 ( 0.000 0.286 8.004) 8.009 10.734 ( 0.000 0.776 17.930) 17.947 10.890 ( 0.000 6.960 -7.589) 10.297 11.096 ( 0.000 0.835 -9.053) 9.092 12.465 ( 0.000 5.964 1.380) 6.122 12.593 ( 0.000 18.352 0.101) 18.352 12.630 ( -0.000 -0.482 4.958) 4.981 12.879 ( -0.000 -2.612 -6.046) 6.586 13.128 ( -0.000 -17.736 -0.112) 17.736 13.177 ( 0.000 1.153 -4.093) 4.253 13.406 ( 0.000 23.940 0.202) 23.941 13.541 ( 0.000 0.647 5.934) 5.969 14.026 ( -0.000 -0.890 -1.228) 1.517 14.122 ( 0.000 0.463 -1.895) 1.951 14.135 ( 0.000 12.627 -0.513) 12.638 14.397 ( 0.000 9.062 -1.402) 9.170 14.559 ( -0.000 -0.448 2.989) 3.023 14.602 ( 0.000 4.191 0.027) 4.191 14.672 ( -0.000 -3.107 -0.907) 3.237 14.780 ( -0.000 -7.164 -0.574) 7.187 14.824 ( -0.000 -13.913 0.039) 13.913 14.955 ( -0.000 -32.275 -0.848) 32.286 15.035 ( 0.000 1.862 1.689) 2.514 15.449 ( 0.000 3.771 0.453) 3.798 15.857 ( 0.000 1.356 -1.151) 1.779 15.926 ( -0.000 -2.322 0.327) 2.344 16.452 ( -0.000 -16.745 0.070) 16.746 16.517 ( 0.000 1.200 0.354) 1.252 16.681 ( -0.000 -8.068 -0.912) 8.119 16.743 ( -0.000 -8.440 0.891) 8.487 16.768 ( 0.000 1.235 0.029) 1.235 16.813 ( -0.000 -7.714 -0.148) 7.716 16.820 ( -0.000 -0.175 -0.013) 0.175 17.773 ( 0.000 0.151 -0.011) 0.151 20.007 ( 0.000 3.471 -1.880) 3.947 20.131 ( 0.000 3.197 0.569) 3.247 20.207 ( 0.000 0.129 1.551) 1.556 21.001 ( 0.000 3.921 0.671) 3.978 21.040 ( 0.000 1.881 -0.694) 2.004 21.094 ( -0.000 -1.289 -0.040) 1.289 21.915 ( 0.000 2.550 -0.062) 2.551 21.942 ( -0.000 -0.023 -0.609) 0.610 22.000 ( 0.000 1.203 1.174) 1.681 22.064 ( -0.000 -3.032 -0.637) 3.098 =================== 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 3/32670 10.0 1852.926 1535.687 635.447 0.000 0.000 0.000 3/32670 20.0 1275.158 1367.135 961.191 0.000 0.000 0.000 3/32670 30.0 717.533 752.952 604.682 0.000 0.000 0.000 3/32670 40.0 419.567 439.777 378.350 0.000 0.000 0.000 3/32670 50.0 271.912 287.774 251.429 0.000 0.000 0.000 3/32670 60.0 192.596 205.968 178.998 0.000 0.000 0.000 3/32670 70.0 145.315 156.480 134.921 0.000 0.000 0.000 3/32670 80.0 114.584 123.748 106.102 0.000 0.000 0.000 3/32670 90.0 93.279 100.731 86.099 0.000 0.000 0.000 3/32670 100.0 77.800 83.855 71.573 0.000 0.000 0.000 3/32670 110.0 66.158 71.104 60.663 0.000 0.000 0.000 3/32670 120.0 57.169 61.243 52.253 0.000 0.000 0.000 3/32670 130.0 50.078 53.470 45.633 0.000 0.000 0.000 3/32670 140.0 44.385 47.241 40.330 0.000 0.000 0.000 3/32670 150.0 39.743 42.175 36.016 0.000 0.000 0.000 3/32670 160.0 35.907 38.001 32.459 0.000 0.000 0.000 3/32670 170.0 32.699 34.521 29.490 0.000 0.000 0.000 3/32670 180.0 29.986 31.586 26.985 0.000 0.000 0.000 3/32670 190.0 27.669 29.087 24.850 0.000 0.000 0.000 3/32670 200.0 25.673 26.940 23.013 0.000 0.000 0.000 3/32670 210.0 23.938 25.078 21.420 0.000 0.000 0.000 3/32670 220.0 22.418 23.452 20.028 0.000 0.000 0.000 3/32670 230.0 21.079 22.021 18.802 0.000 0.000 0.000 3/32670 240.0 19.890 20.754 17.716 0.000 0.000 0.000 3/32670 250.0 18.828 19.625 16.748 0.000 0.000 0.000 3/32670 260.0 17.875 18.614 15.880 0.000 0.000 0.000 3/32670 270.0 17.015 17.703 15.098 0.000 0.000 0.000 3/32670 280.0 16.236 16.878 14.390 0.000 0.000 0.000 3/32670 290.0 15.526 16.128 13.747 0.000 0.000 0.000 3/32670 300.0 14.877 15.444 13.160 0.000 0.000 0.000 3/32670 310.0 14.282 14.817 12.622 0.000 0.000 0.000 3/32670 320.0 13.734 14.240 12.127 0.000 0.000 0.000 3/32670 330.0 13.228 13.708 11.670 0.000 0.000 0.000 3/32670 340.0 12.759 13.215 11.248 0.000 0.000 0.000 3/32670 350.0 12.323 12.758 10.856 0.000 0.000 0.000 3/32670 360.0 11.917 12.332 10.491 0.000 0.000 0.000 3/32670 370.0 11.538 11.935 10.151 0.000 0.000 0.000 3/32670 380.0 11.183 11.564 9.833 0.000 0.000 0.000 3/32670 390.0 10.850 11.216 9.534 0.000 0.000 0.000 3/32670 400.0 10.537 10.889 9.254 0.000 0.000 0.000 3/32670 410.0 10.242 10.581 8.991 0.000 0.000 0.000 3/32670 420.0 9.964 10.291 8.743 0.000 0.000 0.000 3/32670 430.0 9.701 10.017 8.508 0.000 0.000 0.000 3/32670 440.0 9.452 9.758 8.286 0.000 0.000 0.000 3/32670 450.0 9.216 9.512 8.076 0.000 0.000 0.000 3/32670 460.0 8.992 9.279 7.877 0.000 0.000 0.000 3/32670 470.0 8.779 9.057 7.687 0.000 0.000 0.000 3/32670 480.0 8.576 8.846 7.507 0.000 0.000 0.000 3/32670 490.0 8.383 8.645 7.335 0.000 0.000 0.000 3/32670 500.0 8.198 8.453 7.171 0.000 0.000 0.000 3/32670 510.0 8.022 8.270 7.015 0.000 0.000 0.000 3/32670 520.0 7.853 8.095 6.866 0.000 0.000 0.000 3/32670 530.0 7.692 7.928 6.723 0.000 0.000 0.000 3/32670 540.0 7.537 7.767 6.586 0.000 0.000 0.000 3/32670 550.0 7.389 7.613 6.454 0.000 0.000 0.000 3/32670 560.0 7.246 7.465 6.328 0.000 0.000 0.000 3/32670 570.0 7.109 7.323 6.207 0.000 0.000 0.000 3/32670 580.0 6.977 7.187 6.091 0.000 0.000 0.000 3/32670 590.0 6.850 7.055 5.979 0.000 0.000 0.000 3/32670 600.0 6.728 6.929 5.871 0.000 0.000 0.000 3/32670 610.0 6.611 6.807 5.767 0.000 0.000 0.000 3/32670 620.0 6.497 6.689 5.667 0.000 0.000 0.000 3/32670 630.0 6.387 6.576 5.570 0.000 0.000 0.000 3/32670 640.0 6.281 6.466 5.477 0.000 0.000 0.000 3/32670 650.0 6.179 6.360 5.387 0.000 0.000 0.000 3/32670 660.0 6.080 6.258 5.300 0.000 0.000 0.000 3/32670 670.0 5.984 6.159 5.215 0.000 0.000 0.000 3/32670 680.0 5.891 6.063 5.134 0.000 0.000 0.000 3/32670 690.0 5.801 5.970 5.055 0.000 0.000 0.000 3/32670 700.0 5.714 5.880 4.978 0.000 0.000 0.000 3/32670 710.0 5.630 5.793 4.904 0.000 0.000 0.000 3/32670 720.0 5.548 5.708 4.832 0.000 0.000 0.000 3/32670 730.0 5.468 5.626 4.762 0.000 0.000 0.000 3/32670 740.0 5.391 5.546 4.694 0.000 0.000 0.000 3/32670 750.0 5.316 5.469 4.629 0.000 0.000 0.000 3/32670 760.0 5.243 5.393 4.565 0.000 0.000 0.000 3/32670 770.0 5.172 5.320 4.502 0.000 0.000 0.000 3/32670 780.0 5.103 5.249 4.442 0.000 0.000 0.000 3/32670 790.0 5.036 5.180 4.383 0.000 0.000 0.000 3/32670 800.0 4.971 5.112 4.326 0.000 0.000 0.000 3/32670 810.0 4.907 5.046 4.270 0.000 0.000 0.000 3/32670 820.0 4.845 4.982 4.216 0.000 0.000 0.000 3/32670 830.0 4.785 4.920 4.163 0.000 0.000 0.000 3/32670 840.0 4.726 4.859 4.111 0.000 0.000 0.000 3/32670 850.0 4.668 4.800 4.061 0.000 0.000 0.000 3/32670 860.0 4.612 4.742 4.012 0.000 0.000 0.000 3/32670 870.0 4.557 4.686 3.964 0.000 0.000 0.000 3/32670 880.0 4.504 4.631 3.917 0.000 0.000 0.000 3/32670 890.0 4.452 4.577 3.871 0.000 0.000 0.000 3/32670 900.0 4.401 4.524 3.827 0.000 0.000 0.000 3/32670 910.0 4.351 4.473 3.783 0.000 0.000 0.000 3/32670 920.0 4.302 4.423 3.741 0.000 0.000 0.000 3/32670 930.0 4.255 4.374 3.699 0.000 0.000 0.000 3/32670 940.0 4.208 4.326 3.659 0.000 0.000 0.000 3/32670 950.0 4.163 4.279 3.619 0.000 0.000 0.000 3/32670 960.0 4.118 4.233 3.580 0.000 0.000 0.000 3/32670 970.0 4.075 4.188 3.542 0.000 0.000 0.000 3/32670 980.0 4.032 4.145 3.505 0.000 0.000 0.000 3/32670 990.0 3.991 4.102 3.468 0.000 0.000 0.000 3/32670 1000.0 3.950 4.059 3.433 0.000 0.000 0.000 3/32670 Thermal conductivity related properties were written into "kappa-m11113.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:41:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|