----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:16:34]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.824220931005547 0.000000000000000 0.000000000000000 b 0.000000000000000 6.063342280000001 0.000000000000000 c -0.609524268905898 0.000000000000000 9.711703237853001 Atomic positions (fractional): *1 N 0.16119319377623 0.43102906050295 0.32172463870448 14.007 2 N 0.83880680622378 0.93102906050295 0.17827536129552 14.007 3 N 0.83880680622378 0.56897093949705 0.67827536129552 14.007 4 N 0.16119319377623 0.06897093949704 0.82172463870448 14.007 *5 N 0.76025535059417 0.37847228003714 0.02923585381125 14.007 6 N 0.23974464940583 0.87847228003714 0.47076414618876 14.007 7 N 0.23974464940583 0.62152771996286 0.97076414618875 14.007 8 N 0.76025535059417 0.12152771996286 0.52923585381125 14.007 *9 N 0.39471109965392 0.46273032370862 0.61829359037127 14.007 10 N 0.60528890034608 0.96273032370862 0.88170640962873 14.007 11 N 0.60528890034608 0.53726967629138 0.38170640962873 14.007 12 N 0.39471109965392 0.03726967629138 0.11829359037127 14.007 *13 Al 0.65995618617260 0.09183481687885 0.06096473469717 26.982 14 Al 0.34004381382740 0.59183481687885 0.43903526530283 26.982 15 Al 0.34004381382740 0.90816518312115 0.93903526530283 26.982 16 Al 0.65995618617260 0.40816518312115 0.56096473469717 26.982 *17 Ca 0.85436441530029 0.21793311115944 0.80574099758224 40.078 18 Ca 0.14563558469971 0.71793311115944 0.69425900241776 40.078 19 Ca 0.14563558469971 0.78206688884056 0.19425900241776 40.078 20 Ca 0.85436441530029 0.28206688884056 0.30574099758224 40.078 *21 Ca 0.12750479376068 0.20679759030007 0.57635312455019 40.078 22 Ca 0.87249520623932 0.70679759030007 0.92364687544981 40.078 23 Ca 0.87249520623932 0.79320240969993 0.42364687544981 40.078 24 Ca 0.12750479376068 0.29320240969993 0.07635312455019 40.078 *25 Ca 0.42403530625823 0.35869993910162 0.84958127227703 40.078 26 Ca 0.57596469374177 0.85869993910162 0.65041872772297 40.078 27 Ca 0.57596469374177 0.64130006089838 0.15041872772297 40.078 28 Ca 0.42403530625823 0.14130006089838 0.34958127227703 40.078 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.824220931005547 0.000000000000000 0.000000000000000 b 0.000000000000000 6.063342280000001 0.000000000000000 c -0.609524268905898 0.000000000000000 9.711703237853001 Atomic positions (fractional): *1 N 0.16119319377623 0.43102906050295 0.32172463870448 14.007 > 1 2 N 0.83880680622378 0.93102906050295 0.17827536129552 14.007 > 2 3 N 0.83880680622378 0.56897093949705 0.67827536129552 14.007 > 3 4 N 0.16119319377623 0.06897093949704 0.82172463870448 14.007 > 4 *5 N 0.76025535059417 0.37847228003714 0.02923585381125 14.007 > 5 6 N 0.23974464940583 0.87847228003714 0.47076414618876 14.007 > 6 7 N 0.23974464940583 0.62152771996286 0.97076414618875 14.007 > 7 8 N 0.76025535059417 0.12152771996286 0.52923585381125 14.007 > 8 *9 N 0.39471109965392 0.46273032370862 0.61829359037127 14.007 > 9 10 N 0.60528890034608 0.96273032370862 0.88170640962873 14.007 > 10 11 N 0.60528890034608 0.53726967629138 0.38170640962873 14.007 > 11 12 N 0.39471109965392 0.03726967629138 0.11829359037127 14.007 > 12 *13 Al 0.65995618617260 0.09183481687885 0.06096473469717 26.982 > 13 14 Al 0.34004381382740 0.59183481687885 0.43903526530283 26.982 > 14 15 Al 0.34004381382740 0.90816518312115 0.93903526530283 26.982 > 15 16 Al 0.65995618617260 0.40816518312115 0.56096473469717 26.982 > 16 *17 Ca 0.85436441530029 0.21793311115944 0.80574099758224 40.078 > 17 18 Ca 0.14563558469971 0.71793311115944 0.69425900241776 40.078 > 18 19 Ca 0.14563558469971 0.78206688884056 0.19425900241776 40.078 > 19 20 Ca 0.85436441530029 0.28206688884056 0.30574099758224 40.078 > 20 *21 Ca 0.12750479376068 0.20679759030007 0.57635312455019 40.078 > 21 22 Ca 0.87249520623932 0.70679759030007 0.92364687544981 40.078 > 22 23 Ca 0.87249520623932 0.79320240969993 0.42364687544981 40.078 > 23 24 Ca 0.12750479376068 0.29320240969993 0.07635312455019 40.078 > 24 *25 Ca 0.42403530625823 0.35869993910162 0.84958127227703 40.078 > 25 26 Ca 0.57596469374177 0.85869993910162 0.65041872772297 40.078 > 26 27 Ca 0.57596469374177 0.64130006089838 0.15041872772297 40.078 > 27 28 Ca 0.42403530625823 0.14130006089838 0.34958127227703 40.078 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.648441862011094 0.000000000000000 0.000000000000000 b 0.000000000000000 12.126684560000003 0.000000000000000 c -0.609524268905898 0.000000000000000 9.711703237853001 Atomic positions (fractional): *1 N 0.08059659688811 0.21551453025148 0.32172463870448 14.007 > 1 2 N 0.58059659688811 0.21551453025148 0.32172463870448 14.007 > 1 3 N 0.08059659688811 0.71551453025148 0.32172463870448 14.007 > 1 4 N 0.58059659688811 0.71551453025148 0.32172463870448 14.007 > 1 5 N 0.41940340311189 0.46551453025148 0.17827536129552 14.007 > 2 6 N 0.91940340311189 0.46551453025148 0.17827536129552 14.007 > 2 7 N 0.41940340311189 0.96551453025148 0.17827536129552 14.007 > 2 8 N 0.91940340311189 0.96551453025148 0.17827536129552 14.007 > 2 9 N 0.41940340311189 0.28448546974852 0.67827536129552 14.007 > 3 10 N 0.91940340311189 0.28448546974852 0.67827536129552 14.007 > 3 11 N 0.41940340311189 0.78448546974852 0.67827536129552 14.007 > 3 12 N 0.91940340311189 0.78448546974852 0.67827536129552 14.007 > 3 13 N 0.08059659688811 0.03448546974852 0.82172463870448 14.007 > 4 14 N 0.58059659688811 0.03448546974852 0.82172463870448 14.007 > 4 15 N 0.08059659688811 0.53448546974852 0.82172463870448 14.007 > 4 16 N 0.58059659688811 0.53448546974852 0.82172463870448 14.007 > 4 *17 N 0.38012767529709 0.18923614001857 0.02923585381125 14.007 > 5 18 N 0.88012767529709 0.18923614001857 0.02923585381125 14.007 > 5 19 N 0.38012767529709 0.68923614001857 0.02923585381125 14.007 > 5 20 N 0.88012767529709 0.68923614001857 0.02923585381125 14.007 > 5 21 N 0.11987232470291 0.43923614001857 0.47076414618876 14.007 > 6 22 N 0.61987232470291 0.43923614001857 0.47076414618876 14.007 > 6 23 N 0.11987232470291 0.93923614001857 0.47076414618876 14.007 > 6 24 N 0.61987232470291 0.93923614001857 0.47076414618876 14.007 > 6 25 N 0.11987232470291 0.31076385998143 0.97076414618875 14.007 > 7 26 N 0.61987232470291 0.31076385998143 0.97076414618875 14.007 > 7 27 N 0.11987232470291 0.81076385998143 0.97076414618875 14.007 > 7 28 N 0.61987232470291 0.81076385998143 0.97076414618875 14.007 > 7 29 N 0.38012767529709 0.06076385998143 0.52923585381125 14.007 > 8 30 N 0.88012767529709 0.06076385998143 0.52923585381125 14.007 > 8 31 N 0.38012767529709 0.56076385998143 0.52923585381125 14.007 > 8 32 N 0.88012767529709 0.56076385998143 0.52923585381125 14.007 > 8 *33 N 0.19735554982696 0.23136516185431 0.61829359037127 14.007 > 9 34 N 0.69735554982696 0.23136516185431 0.61829359037127 14.007 > 9 35 N 0.19735554982696 0.73136516185431 0.61829359037127 14.007 > 9 36 N 0.69735554982696 0.73136516185431 0.61829359037127 14.007 > 9 37 N 0.30264445017304 0.48136516185431 0.88170640962873 14.007 > 10 38 N 0.80264445017304 0.48136516185431 0.88170640962873 14.007 > 10 39 N 0.30264445017304 0.98136516185431 0.88170640962873 14.007 > 10 40 N 0.80264445017304 0.98136516185431 0.88170640962873 14.007 > 10 41 N 0.30264445017304 0.26863483814569 0.38170640962873 14.007 > 11 42 N 0.80264445017304 0.26863483814569 0.38170640962873 14.007 > 11 43 N 0.30264445017304 0.76863483814569 0.38170640962873 14.007 > 11 44 N 0.80264445017304 0.76863483814569 0.38170640962873 14.007 > 11 45 N 0.19735554982696 0.01863483814569 0.11829359037127 14.007 > 12 46 N 0.69735554982696 0.01863483814569 0.11829359037127 14.007 > 12 47 N 0.19735554982696 0.51863483814569 0.11829359037127 14.007 > 12 48 N 0.69735554982696 0.51863483814569 0.11829359037127 14.007 > 12 *49 Al 0.32997809308630 0.04591740843942 0.06096473469717 26.982 > 13 50 Al 0.82997809308630 0.04591740843942 0.06096473469717 26.982 > 13 51 Al 0.32997809308630 0.54591740843942 0.06096473469717 26.982 > 13 52 Al 0.82997809308630 0.54591740843942 0.06096473469717 26.982 > 13 53 Al 0.17002190691370 0.29591740843942 0.43903526530283 26.982 > 14 54 Al 0.67002190691370 0.29591740843942 0.43903526530283 26.982 > 14 55 Al 0.17002190691370 0.79591740843942 0.43903526530283 26.982 > 14 56 Al 0.67002190691370 0.79591740843942 0.43903526530283 26.982 > 14 57 Al 0.17002190691370 0.45408259156058 0.93903526530283 26.982 > 15 58 Al 0.67002190691370 0.45408259156058 0.93903526530283 26.982 > 15 59 Al 0.17002190691370 0.95408259156058 0.93903526530283 26.982 > 15 60 Al 0.67002190691370 0.95408259156058 0.93903526530283 26.982 > 15 61 Al 0.32997809308630 0.20408259156058 0.56096473469717 26.982 > 16 62 Al 0.82997809308630 0.20408259156058 0.56096473469717 26.982 > 16 63 Al 0.32997809308630 0.70408259156058 0.56096473469717 26.982 > 16 64 Al 0.82997809308630 0.70408259156058 0.56096473469717 26.982 > 16 *65 Ca 0.42718220765015 0.10896655557972 0.80574099758224 40.078 > 17 66 Ca 0.92718220765015 0.10896655557972 0.80574099758224 40.078 > 17 67 Ca 0.42718220765015 0.60896655557972 0.80574099758224 40.078 > 17 68 Ca 0.92718220765015 0.60896655557972 0.80574099758224 40.078 > 17 69 Ca 0.07281779234985 0.35896655557972 0.69425900241776 40.078 > 18 70 Ca 0.57281779234985 0.35896655557972 0.69425900241776 40.078 > 18 71 Ca 0.07281779234985 0.85896655557972 0.69425900241776 40.078 > 18 72 Ca 0.57281779234985 0.85896655557972 0.69425900241776 40.078 > 18 73 Ca 0.07281779234985 0.39103344442028 0.19425900241776 40.078 > 19 74 Ca 0.57281779234985 0.39103344442028 0.19425900241776 40.078 > 19 75 Ca 0.07281779234985 0.89103344442028 0.19425900241776 40.078 > 19 76 Ca 0.57281779234985 0.89103344442028 0.19425900241776 40.078 > 19 77 Ca 0.42718220765015 0.14103344442028 0.30574099758224 40.078 > 20 78 Ca 0.92718220765015 0.14103344442028 0.30574099758224 40.078 > 20 79 Ca 0.42718220765015 0.64103344442028 0.30574099758224 40.078 > 20 80 Ca 0.92718220765015 0.64103344442028 0.30574099758224 40.078 > 20 *81 Ca 0.06375239688034 0.10339879515003 0.57635312455019 40.078 > 21 82 Ca 0.56375239688034 0.10339879515003 0.57635312455019 40.078 > 21 83 Ca 0.06375239688034 0.60339879515003 0.57635312455019 40.078 > 21 84 Ca 0.56375239688034 0.60339879515003 0.57635312455019 40.078 > 21 85 Ca 0.43624760311966 0.35339879515003 0.92364687544981 40.078 > 22 86 Ca 0.93624760311966 0.35339879515003 0.92364687544981 40.078 > 22 87 Ca 0.43624760311966 0.85339879515003 0.92364687544981 40.078 > 22 88 Ca 0.93624760311966 0.85339879515003 0.92364687544981 40.078 > 22 89 Ca 0.43624760311966 0.39660120484997 0.42364687544981 40.078 > 23 90 Ca 0.93624760311966 0.39660120484997 0.42364687544981 40.078 > 23 91 Ca 0.43624760311966 0.89660120484997 0.42364687544981 40.078 > 23 92 Ca 0.93624760311966 0.89660120484997 0.42364687544981 40.078 > 23 93 Ca 0.06375239688034 0.14660120484997 0.07635312455019 40.078 > 24 94 Ca 0.56375239688034 0.14660120484997 0.07635312455019 40.078 > 24 95 Ca 0.06375239688034 0.64660120484997 0.07635312455019 40.078 > 24 96 Ca 0.56375239688034 0.64660120484997 0.07635312455019 40.078 > 24 *97 Ca 0.21201765312911 0.17934996955081 0.84958127227703 40.078 > 25 98 Ca 0.71201765312911 0.17934996955081 0.84958127227703 40.078 > 25 99 Ca 0.21201765312911 0.67934996955081 0.84958127227703 40.078 > 25 100 Ca 0.71201765312911 0.67934996955081 0.84958127227703 40.078 > 25 101 Ca 0.28798234687089 0.42934996955081 0.65041872772297 40.078 > 26 102 Ca 0.78798234687089 0.42934996955081 0.65041872772297 40.078 > 26 103 Ca 0.28798234687089 0.92934996955081 0.65041872772297 40.078 > 26 104 Ca 0.78798234687089 0.92934996955081 0.65041872772297 40.078 > 26 105 Ca 0.28798234687089 0.32065003044919 0.15041872772297 40.078 > 27 106 Ca 0.78798234687089 0.32065003044919 0.15041872772297 40.078 > 27 107 Ca 0.28798234687089 0.82065003044919 0.15041872772297 40.078 > 27 108 Ca 0.78798234687089 0.82065003044919 0.15041872772297 40.078 > 27 109 Ca 0.21201765312911 0.07065003044919 0.34958127227703 40.078 > 28 110 Ca 0.71201765312911 0.07065003044919 0.34958127227703 40.078 > 28 111 Ca 0.21201765312911 0.57065003044919 0.34958127227703 40.078 > 28 112 Ca 0.71201765312911 0.57065003044919 0.34958127227703 40.078 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6967378 0.0000000 -0.0101571 0.0000000 5.9605014 0.0000000 -0.0101574 0.0000000 5.9123524 -------------------------- Born effective charges -------------------------- 1 N -2.9555590 -0.1383297 -0.2725137 -0.2698598 -2.9300165 -0.0716176 -0.3208212 -0.0526372 -2.9673009 2 N -2.9555590 0.1383297 -0.2725137 0.2698598 -2.9300165 0.0716176 -0.3208212 0.0526372 -2.9673009 3 N -2.9555590 -0.1383297 -0.2725137 -0.2698598 -2.9300165 -0.0716176 -0.3208212 -0.0526372 -2.9673009 4 N -2.9555590 0.1383297 -0.2725137 0.2698598 -2.9300165 0.0716176 -0.3208212 0.0526372 -2.9673009 5 N -2.6343307 -0.2067991 0.2024690 -0.2463839 -3.3295576 0.0875768 0.0316068 0.0358874 -2.7296947 6 N -2.6343307 0.2067991 0.2024690 0.2463839 -3.3295576 -0.0875768 0.0316068 -0.0358874 -2.7296947 7 N -2.6343307 -0.2067991 0.2024690 -0.2463839 -3.3295576 0.0875768 0.0316068 0.0358874 -2.7296947 8 N -2.6343307 0.2067991 0.2024690 0.2463839 -3.3295576 -0.0875768 0.0316068 -0.0358874 -2.7296947 9 N -3.0640237 0.1660656 -0.0052340 0.0367497 -2.6008079 0.2039859 0.2267747 0.1040006 -3.1266453 10 N -3.0640237 -0.1660656 -0.0052340 -0.0367497 -2.6008079 -0.2039859 0.2267747 -0.1040006 -3.1266453 11 N -3.0640237 0.1660656 -0.0052340 0.0367497 -2.6008079 0.2039859 0.2267747 0.1040006 -3.1266453 12 N -3.0640237 -0.1660656 -0.0052340 -0.0367497 -2.6008079 -0.2039859 0.2267747 -0.1040006 -3.1266453 13 Al 2.2833430 0.3111391 0.3656941 0.2812479 2.1348740 -0.2077331 0.2968541 -0.2331008 1.9384158 14 Al 2.2833430 -0.3111391 0.3656941 -0.2812479 2.1348740 0.2077331 0.2968541 0.2331008 1.9384158 15 Al 2.2833430 0.3111391 0.3656941 0.2812479 2.1348740 -0.2077331 0.2968541 -0.2331008 1.9384158 16 Al 2.2833430 -0.3111391 0.3656941 -0.2812479 2.1348740 0.2077331 0.2968541 0.2331008 1.9384158 17 Ca 2.1011276 0.0818117 -0.2032341 -0.0394764 2.0833280 -0.0457826 -0.1102192 -0.0978808 2.3011771 18 Ca 2.1011276 -0.0818117 -0.2032341 0.0394764 2.0833280 0.0457826 -0.1102192 0.0978808 2.3011771 19 Ca 2.1011276 0.0818117 -0.2032341 -0.0394764 2.0833280 -0.0457826 -0.1102192 -0.0978808 2.3011771 20 Ca 2.1011276 -0.0818117 -0.2032341 0.0394764 2.0833280 0.0457826 -0.1102192 0.0978808 2.3011771 21 Ca 2.1318245 0.0997694 -0.0688572 0.0571854 2.3051115 0.0083458 -0.1137719 0.0180463 2.2691856 22 Ca 2.1318245 -0.0997694 -0.0688572 -0.0571854 2.3051115 -0.0083458 -0.1137719 -0.0180463 2.2691856 23 Ca 2.1318245 0.0997694 -0.0688572 0.0571854 2.3051115 0.0083458 -0.1137719 0.0180463 2.2691856 24 Ca 2.1318245 -0.0997694 -0.0688572 -0.0571854 2.3051115 -0.0083458 -0.1137719 -0.0180463 2.2691856 25 Ca 2.1376183 0.0724773 -0.0183240 0.0297189 2.3370685 -0.0309357 -0.0104233 -0.1149192 2.3148624 26 Ca 2.1376183 -0.0724773 -0.0183240 -0.0297189 2.3370685 0.0309357 -0.0104233 0.1149192 2.3148624 27 Ca 2.1376183 0.0724773 -0.0183240 0.0297189 2.3370685 -0.0309357 -0.0104233 -0.1149192 2.3148624 28 Ca 2.1376183 -0.0724773 -0.0183240 -0.0297189 2.3370685 0.0309357 -0.0104233 0.1149192 2.3148624 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.014 Solver_block: 100 / 880 - Time: 1.929 Solver_block: 200 / 880 - Time: 1.796 Solver_block: 300 / 880 - Time: 1.808 Solver_block: 400 / 880 - Time: 1.215 Solver_block: 500 / 880 - Time: 1.691 Solver_block: 600 / 880 - Time: 2.449 Solver_block: 700 / 880 - Time: 2.962 Solver_block: 800 / 880 - Time: 2.104 Solver_block: 880 / 880 - Time: 1.603 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 18.350 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:17:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:17:45]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.824220931005547 0.000000000000000 0.000000000000000 b 0.000000000000000 6.063342280000001 0.000000000000000 c -0.609524268905898 0.000000000000000 9.711703237853001 Atomic positions (fractional): 1 N 0.16119319377623 0.43102906050295 0.32172463870448 14.007 2 N 0.83880680622378 0.93102906050295 0.17827536129552 14.007 3 N 0.83880680622378 0.56897093949705 0.67827536129552 14.007 4 N 0.16119319377623 0.06897093949704 0.82172463870448 14.007 5 N 0.76025535059417 0.37847228003714 0.02923585381125 14.007 6 N 0.23974464940583 0.87847228003714 0.47076414618876 14.007 7 N 0.23974464940583 0.62152771996286 0.97076414618875 14.007 8 N 0.76025535059417 0.12152771996286 0.52923585381125 14.007 9 N 0.39471109965392 0.46273032370862 0.61829359037127 14.007 10 N 0.60528890034608 0.96273032370862 0.88170640962873 14.007 11 N 0.60528890034608 0.53726967629138 0.38170640962873 14.007 12 N 0.39471109965392 0.03726967629138 0.11829359037127 14.007 13 Al 0.65995618617260 0.09183481687885 0.06096473469717 26.982 14 Al 0.34004381382740 0.59183481687885 0.43903526530283 26.982 15 Al 0.34004381382740 0.90816518312115 0.93903526530283 26.982 16 Al 0.65995618617260 0.40816518312115 0.56096473469717 26.982 17 Ca 0.85436441530029 0.21793311115944 0.80574099758224 40.078 18 Ca 0.14563558469971 0.71793311115944 0.69425900241776 40.078 19 Ca 0.14563558469971 0.78206688884056 0.19425900241776 40.078 20 Ca 0.85436441530029 0.28206688884056 0.30574099758224 40.078 21 Ca 0.12750479376068 0.20679759030007 0.57635312455019 40.078 22 Ca 0.87249520623932 0.70679759030007 0.92364687544981 40.078 23 Ca 0.87249520623932 0.79320240969993 0.42364687544981 40.078 24 Ca 0.12750479376068 0.29320240969993 0.07635312455019 40.078 25 Ca 0.42403530625823 0.35869993910162 0.84958127227703 40.078 26 Ca 0.57596469374177 0.85869993910162 0.65041872772297 40.078 27 Ca 0.57596469374177 0.64130006089838 0.15041872772297 40.078 28 Ca 0.42403530625823 0.14130006089838 0.34958127227703 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.648441862011094 0.000000000000000 0.000000000000000 b 0.000000000000000 12.126684560000003 0.000000000000000 c -0.609524268905898 0.000000000000000 9.711703237853001 Atomic positions (fractional): 1 N 0.08059659688811 0.21551453025148 0.32172463870448 14.007 > 1 2 N 0.58059659688811 0.21551453025148 0.32172463870448 14.007 > 1 3 N 0.08059659688811 0.71551453025148 0.32172463870448 14.007 > 1 4 N 0.58059659688811 0.71551453025148 0.32172463870448 14.007 > 1 5 N 0.41940340311189 0.46551453025148 0.17827536129552 14.007 > 5 6 N 0.91940340311189 0.46551453025148 0.17827536129552 14.007 > 5 7 N 0.41940340311189 0.96551453025148 0.17827536129552 14.007 > 5 8 N 0.91940340311189 0.96551453025148 0.17827536129552 14.007 > 5 9 N 0.41940340311189 0.28448546974852 0.67827536129552 14.007 > 9 10 N 0.91940340311189 0.28448546974852 0.67827536129552 14.007 > 9 11 N 0.41940340311189 0.78448546974852 0.67827536129552 14.007 > 9 12 N 0.91940340311189 0.78448546974852 0.67827536129552 14.007 > 9 13 N 0.08059659688811 0.03448546974852 0.82172463870448 14.007 > 13 14 N 0.58059659688811 0.03448546974852 0.82172463870448 14.007 > 13 15 N 0.08059659688811 0.53448546974852 0.82172463870448 14.007 > 13 16 N 0.58059659688811 0.53448546974852 0.82172463870448 14.007 > 13 17 N 0.38012767529709 0.18923614001857 0.02923585381125 14.007 > 17 18 N 0.88012767529709 0.18923614001857 0.02923585381125 14.007 > 17 19 N 0.38012767529709 0.68923614001857 0.02923585381125 14.007 > 17 20 N 0.88012767529709 0.68923614001857 0.02923585381125 14.007 > 17 21 N 0.11987232470291 0.43923614001857 0.47076414618876 14.007 > 21 22 N 0.61987232470291 0.43923614001857 0.47076414618876 14.007 > 21 23 N 0.11987232470291 0.93923614001857 0.47076414618876 14.007 > 21 24 N 0.61987232470291 0.93923614001857 0.47076414618876 14.007 > 21 25 N 0.11987232470291 0.31076385998143 0.97076414618875 14.007 > 25 26 N 0.61987232470291 0.31076385998143 0.97076414618875 14.007 > 25 27 N 0.11987232470291 0.81076385998143 0.97076414618875 14.007 > 25 28 N 0.61987232470291 0.81076385998143 0.97076414618875 14.007 > 25 29 N 0.38012767529709 0.06076385998143 0.52923585381125 14.007 > 29 30 N 0.88012767529709 0.06076385998143 0.52923585381125 14.007 > 29 31 N 0.38012767529709 0.56076385998143 0.52923585381125 14.007 > 29 32 N 0.88012767529709 0.56076385998143 0.52923585381125 14.007 > 29 33 N 0.19735554982696 0.23136516185431 0.61829359037127 14.007 > 33 34 N 0.69735554982696 0.23136516185431 0.61829359037127 14.007 > 33 35 N 0.19735554982696 0.73136516185431 0.61829359037127 14.007 > 33 36 N 0.69735554982696 0.73136516185431 0.61829359037127 14.007 > 33 37 N 0.30264445017304 0.48136516185431 0.88170640962873 14.007 > 37 38 N 0.80264445017304 0.48136516185431 0.88170640962873 14.007 > 37 39 N 0.30264445017304 0.98136516185431 0.88170640962873 14.007 > 37 40 N 0.80264445017304 0.98136516185431 0.88170640962873 14.007 > 37 41 N 0.30264445017304 0.26863483814569 0.38170640962873 14.007 > 41 42 N 0.80264445017304 0.26863483814569 0.38170640962873 14.007 > 41 43 N 0.30264445017304 0.76863483814569 0.38170640962873 14.007 > 41 44 N 0.80264445017304 0.76863483814569 0.38170640962873 14.007 > 41 45 N 0.19735554982696 0.01863483814569 0.11829359037127 14.007 > 45 46 N 0.69735554982696 0.01863483814569 0.11829359037127 14.007 > 45 47 N 0.19735554982696 0.51863483814569 0.11829359037127 14.007 > 45 48 N 0.69735554982696 0.51863483814569 0.11829359037127 14.007 > 45 49 Al 0.32997809308630 0.04591740843942 0.06096473469717 26.982 > 49 50 Al 0.82997809308630 0.04591740843942 0.06096473469717 26.982 > 49 51 Al 0.32997809308630 0.54591740843942 0.06096473469717 26.982 > 49 52 Al 0.82997809308630 0.54591740843942 0.06096473469717 26.982 > 49 53 Al 0.17002190691370 0.29591740843942 0.43903526530283 26.982 > 53 54 Al 0.67002190691370 0.29591740843942 0.43903526530283 26.982 > 53 55 Al 0.17002190691370 0.79591740843942 0.43903526530283 26.982 > 53 56 Al 0.67002190691370 0.79591740843942 0.43903526530283 26.982 > 53 57 Al 0.17002190691370 0.45408259156058 0.93903526530283 26.982 > 57 58 Al 0.67002190691370 0.45408259156058 0.93903526530283 26.982 > 57 59 Al 0.17002190691370 0.95408259156058 0.93903526530283 26.982 > 57 60 Al 0.67002190691370 0.95408259156058 0.93903526530283 26.982 > 57 61 Al 0.32997809308630 0.20408259156058 0.56096473469717 26.982 > 61 62 Al 0.82997809308630 0.20408259156058 0.56096473469717 26.982 > 61 63 Al 0.32997809308630 0.70408259156058 0.56096473469717 26.982 > 61 64 Al 0.82997809308630 0.70408259156058 0.56096473469717 26.982 > 61 65 Ca 0.42718220765015 0.10896655557972 0.80574099758224 40.078 > 65 66 Ca 0.92718220765015 0.10896655557972 0.80574099758224 40.078 > 65 67 Ca 0.42718220765015 0.60896655557972 0.80574099758224 40.078 > 65 68 Ca 0.92718220765015 0.60896655557972 0.80574099758224 40.078 > 65 69 Ca 0.07281779234985 0.35896655557972 0.69425900241776 40.078 > 69 70 Ca 0.57281779234985 0.35896655557972 0.69425900241776 40.078 > 69 71 Ca 0.07281779234985 0.85896655557972 0.69425900241776 40.078 > 69 72 Ca 0.57281779234985 0.85896655557972 0.69425900241776 40.078 > 69 73 Ca 0.07281779234985 0.39103344442028 0.19425900241776 40.078 > 73 74 Ca 0.57281779234985 0.39103344442028 0.19425900241776 40.078 > 73 75 Ca 0.07281779234985 0.89103344442028 0.19425900241776 40.078 > 73 76 Ca 0.57281779234985 0.89103344442028 0.19425900241776 40.078 > 73 77 Ca 0.42718220765015 0.14103344442028 0.30574099758224 40.078 > 77 78 Ca 0.92718220765015 0.14103344442028 0.30574099758224 40.078 > 77 79 Ca 0.42718220765015 0.64103344442028 0.30574099758224 40.078 > 77 80 Ca 0.92718220765015 0.64103344442028 0.30574099758224 40.078 > 77 81 Ca 0.06375239688034 0.10339879515003 0.57635312455019 40.078 > 81 82 Ca 0.56375239688034 0.10339879515003 0.57635312455019 40.078 > 81 83 Ca 0.06375239688034 0.60339879515003 0.57635312455019 40.078 > 81 84 Ca 0.56375239688034 0.60339879515003 0.57635312455019 40.078 > 81 85 Ca 0.43624760311966 0.35339879515003 0.92364687544981 40.078 > 85 86 Ca 0.93624760311966 0.35339879515003 0.92364687544981 40.078 > 85 87 Ca 0.43624760311966 0.85339879515003 0.92364687544981 40.078 > 85 88 Ca 0.93624760311966 0.85339879515003 0.92364687544981 40.078 > 85 89 Ca 0.43624760311966 0.39660120484997 0.42364687544981 40.078 > 89 90 Ca 0.93624760311966 0.39660120484997 0.42364687544981 40.078 > 89 91 Ca 0.43624760311966 0.89660120484997 0.42364687544981 40.078 > 89 92 Ca 0.93624760311966 0.89660120484997 0.42364687544981 40.078 > 89 93 Ca 0.06375239688034 0.14660120484997 0.07635312455019 40.078 > 93 94 Ca 0.56375239688034 0.14660120484997 0.07635312455019 40.078 > 93 95 Ca 0.06375239688034 0.64660120484997 0.07635312455019 40.078 > 93 96 Ca 0.56375239688034 0.64660120484997 0.07635312455019 40.078 > 93 97 Ca 0.21201765312911 0.17934996955081 0.84958127227703 40.078 > 97 98 Ca 0.71201765312911 0.17934996955081 0.84958127227703 40.078 > 97 99 Ca 0.21201765312911 0.67934996955081 0.84958127227703 40.078 > 97 100 Ca 0.71201765312911 0.67934996955081 0.84958127227703 40.078 > 97 101 Ca 0.28798234687089 0.42934996955081 0.65041872772297 40.078 > 101 102 Ca 0.78798234687089 0.42934996955081 0.65041872772297 40.078 > 101 103 Ca 0.28798234687089 0.92934996955081 0.65041872772297 40.078 > 101 104 Ca 0.78798234687089 0.92934996955081 0.65041872772297 40.078 > 101 105 Ca 0.28798234687089 0.32065003044919 0.15041872772297 40.078 > 105 106 Ca 0.78798234687089 0.32065003044919 0.15041872772297 40.078 > 105 107 Ca 0.28798234687089 0.82065003044919 0.15041872772297 40.078 > 105 108 Ca 0.78798234687089 0.82065003044919 0.15041872772297 40.078 > 105 109 Ca 0.21201765312911 0.07065003044919 0.34958127227703 40.078 > 109 110 Ca 0.71201765312911 0.07065003044919 0.34958127227703 40.078 > 109 111 Ca 0.21201765312911 0.57065003044919 0.34958127227703 40.078 > 109 112 Ca 0.71201765312911 0.57065003044919 0.34958127227703 40.078 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6967378 0.0000000 -0.0101571 0.0000000 5.9605014 0.0000000 -0.0101574 0.0000000 5.9123524 -------------------------- Born effective charges -------------------------- 1 N -2.9555590 -0.1383297 -0.2725137 -0.2698598 -2.9300165 -0.0716176 -0.3208212 -0.0526372 -2.9673009 2 N -2.9555590 0.1383297 -0.2725137 0.2698598 -2.9300165 0.0716176 -0.3208212 0.0526372 -2.9673009 3 N -2.9555590 -0.1383297 -0.2725137 -0.2698598 -2.9300165 -0.0716176 -0.3208212 -0.0526372 -2.9673009 4 N -2.9555590 0.1383297 -0.2725137 0.2698598 -2.9300165 0.0716176 -0.3208212 0.0526372 -2.9673009 5 N -2.6343307 -0.2067991 0.2024690 -0.2463839 -3.3295576 0.0875768 0.0316068 0.0358874 -2.7296947 6 N -2.6343307 0.2067991 0.2024690 0.2463839 -3.3295576 -0.0875768 0.0316068 -0.0358874 -2.7296947 7 N -2.6343307 -0.2067991 0.2024690 -0.2463839 -3.3295576 0.0875768 0.0316068 0.0358874 -2.7296947 8 N -2.6343307 0.2067991 0.2024690 0.2463839 -3.3295576 -0.0875768 0.0316068 -0.0358874 -2.7296947 9 N -3.0640237 0.1660656 -0.0052340 0.0367497 -2.6008079 0.2039859 0.2267747 0.1040006 -3.1266453 10 N -3.0640237 -0.1660656 -0.0052340 -0.0367497 -2.6008079 -0.2039859 0.2267747 -0.1040006 -3.1266453 11 N -3.0640237 0.1660656 -0.0052340 0.0367497 -2.6008079 0.2039859 0.2267747 0.1040006 -3.1266453 12 N -3.0640237 -0.1660656 -0.0052340 -0.0367497 -2.6008079 -0.2039859 0.2267747 -0.1040006 -3.1266453 13 Al 2.2833430 0.3111391 0.3656941 0.2812479 2.1348740 -0.2077331 0.2968541 -0.2331008 1.9384158 14 Al 2.2833430 -0.3111391 0.3656941 -0.2812479 2.1348740 0.2077331 0.2968541 0.2331008 1.9384158 15 Al 2.2833430 0.3111391 0.3656941 0.2812479 2.1348740 -0.2077331 0.2968541 -0.2331008 1.9384158 16 Al 2.2833430 -0.3111391 0.3656941 -0.2812479 2.1348740 0.2077331 0.2968541 0.2331008 1.9384158 17 Ca 2.1011276 0.0818117 -0.2032341 -0.0394764 2.0833280 -0.0457826 -0.1102192 -0.0978808 2.3011771 18 Ca 2.1011276 -0.0818117 -0.2032341 0.0394764 2.0833280 0.0457826 -0.1102192 0.0978808 2.3011771 19 Ca 2.1011276 0.0818117 -0.2032341 -0.0394764 2.0833280 -0.0457826 -0.1102192 -0.0978808 2.3011771 20 Ca 2.1011276 -0.0818117 -0.2032341 0.0394764 2.0833280 0.0457826 -0.1102192 0.0978808 2.3011771 21 Ca 2.1318245 0.0997694 -0.0688572 0.0571854 2.3051115 0.0083458 -0.1137719 0.0180463 2.2691856 22 Ca 2.1318245 -0.0997694 -0.0688572 -0.0571854 2.3051115 -0.0083458 -0.1137719 -0.0180463 2.2691856 23 Ca 2.1318245 0.0997694 -0.0688572 0.0571854 2.3051115 0.0083458 -0.1137719 0.0180463 2.2691856 24 Ca 2.1318245 -0.0997694 -0.0688572 -0.0571854 2.3051115 -0.0083458 -0.1137719 -0.0180463 2.2691856 25 Ca 2.1376183 0.0724773 -0.0183240 0.0297189 2.3370685 -0.0309357 -0.0104233 -0.1149192 2.3148624 26 Ca 2.1376183 -0.0724773 -0.0183240 -0.0297189 2.3370685 0.0309357 -0.0104233 0.1149192 2.3148624 27 Ca 2.1376183 0.0724773 -0.0183240 0.0297189 2.3370685 -0.0309357 -0.0104233 -0.1149192 2.3148624 28 Ca 2.1376183 -0.0724773 -0.0183240 -0.0297189 2.3370685 0.0309357 -0.0104233 0.1149192 2.3148624 ---------------------------------------------------------------------------- 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] [-0.0006 0.0000 0.0100] [ 0.0006 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zy) 0.00000001 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:18:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:18:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.824220931005547 0.000000000000000 0.000000000000000 b 0.000000000000000 6.063342280000001 0.000000000000000 c -0.609524268905898 0.000000000000000 9.711703237853001 Atomic positions (fractional): 1 N 0.16119319377623 0.43102906050295 0.32172463870448 14.007 2 N 0.83880680622378 0.93102906050295 0.17827536129552 14.007 3 N 0.83880680622378 0.56897093949705 0.67827536129552 14.007 4 N 0.16119319377623 0.06897093949704 0.82172463870448 14.007 5 N 0.76025535059417 0.37847228003714 0.02923585381125 14.007 6 N 0.23974464940583 0.87847228003714 0.47076414618876 14.007 7 N 0.23974464940583 0.62152771996286 0.97076414618875 14.007 8 N 0.76025535059417 0.12152771996286 0.52923585381125 14.007 9 N 0.39471109965392 0.46273032370862 0.61829359037127 14.007 10 N 0.60528890034608 0.96273032370862 0.88170640962873 14.007 11 N 0.60528890034608 0.53726967629138 0.38170640962873 14.007 12 N 0.39471109965392 0.03726967629138 0.11829359037127 14.007 13 Al 0.65995618617260 0.09183481687885 0.06096473469717 26.982 14 Al 0.34004381382740 0.59183481687885 0.43903526530283 26.982 15 Al 0.34004381382740 0.90816518312115 0.93903526530283 26.982 16 Al 0.65995618617260 0.40816518312115 0.56096473469717 26.982 17 Ca 0.85436441530029 0.21793311115944 0.80574099758224 40.078 18 Ca 0.14563558469971 0.71793311115944 0.69425900241776 40.078 19 Ca 0.14563558469971 0.78206688884056 0.19425900241776 40.078 20 Ca 0.85436441530029 0.28206688884056 0.30574099758224 40.078 21 Ca 0.12750479376068 0.20679759030007 0.57635312455019 40.078 22 Ca 0.87249520623932 0.70679759030007 0.92364687544981 40.078 23 Ca 0.87249520623932 0.79320240969993 0.42364687544981 40.078 24 Ca 0.12750479376068 0.29320240969993 0.07635312455019 40.078 25 Ca 0.42403530625823 0.35869993910162 0.84958127227703 40.078 26 Ca 0.57596469374177 0.85869993910162 0.65041872772297 40.078 27 Ca 0.57596469374177 0.64130006089838 0.15041872772297 40.078 28 Ca 0.42403530625823 0.14130006089838 0.34958127227703 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.648441862011094 0.000000000000000 0.000000000000000 b 0.000000000000000 12.126684560000003 0.000000000000000 c -0.609524268905898 0.000000000000000 9.711703237853001 Atomic positions (fractional): 1 N 0.08059659688811 0.21551453025148 0.32172463870448 14.007 > 1 2 N 0.58059659688811 0.21551453025148 0.32172463870448 14.007 > 1 3 N 0.08059659688811 0.71551453025148 0.32172463870448 14.007 > 1 4 N 0.58059659688811 0.71551453025148 0.32172463870448 14.007 > 1 5 N 0.41940340311189 0.46551453025148 0.17827536129552 14.007 > 5 6 N 0.91940340311189 0.46551453025148 0.17827536129552 14.007 > 5 7 N 0.41940340311189 0.96551453025148 0.17827536129552 14.007 > 5 8 N 0.91940340311189 0.96551453025148 0.17827536129552 14.007 > 5 9 N 0.41940340311189 0.28448546974852 0.67827536129552 14.007 > 9 10 N 0.91940340311189 0.28448546974852 0.67827536129552 14.007 > 9 11 N 0.41940340311189 0.78448546974852 0.67827536129552 14.007 > 9 12 N 0.91940340311189 0.78448546974852 0.67827536129552 14.007 > 9 13 N 0.08059659688811 0.03448546974852 0.82172463870448 14.007 > 13 14 N 0.58059659688811 0.03448546974852 0.82172463870448 14.007 > 13 15 N 0.08059659688811 0.53448546974852 0.82172463870448 14.007 > 13 16 N 0.58059659688811 0.53448546974852 0.82172463870448 14.007 > 13 17 N 0.38012767529709 0.18923614001857 0.02923585381125 14.007 > 17 18 N 0.88012767529709 0.18923614001857 0.02923585381125 14.007 > 17 19 N 0.38012767529709 0.68923614001857 0.02923585381125 14.007 > 17 20 N 0.88012767529709 0.68923614001857 0.02923585381125 14.007 > 17 21 N 0.11987232470291 0.43923614001857 0.47076414618876 14.007 > 21 22 N 0.61987232470291 0.43923614001857 0.47076414618876 14.007 > 21 23 N 0.11987232470291 0.93923614001857 0.47076414618876 14.007 > 21 24 N 0.61987232470291 0.93923614001857 0.47076414618876 14.007 > 21 25 N 0.11987232470291 0.31076385998143 0.97076414618875 14.007 > 25 26 N 0.61987232470291 0.31076385998143 0.97076414618875 14.007 > 25 27 N 0.11987232470291 0.81076385998143 0.97076414618875 14.007 > 25 28 N 0.61987232470291 0.81076385998143 0.97076414618875 14.007 > 25 29 N 0.38012767529709 0.06076385998143 0.52923585381125 14.007 > 29 30 N 0.88012767529709 0.06076385998143 0.52923585381125 14.007 > 29 31 N 0.38012767529709 0.56076385998143 0.52923585381125 14.007 > 29 32 N 0.88012767529709 0.56076385998143 0.52923585381125 14.007 > 29 33 N 0.19735554982696 0.23136516185431 0.61829359037127 14.007 > 33 34 N 0.69735554982696 0.23136516185431 0.61829359037127 14.007 > 33 35 N 0.19735554982696 0.73136516185431 0.61829359037127 14.007 > 33 36 N 0.69735554982696 0.73136516185431 0.61829359037127 14.007 > 33 37 N 0.30264445017304 0.48136516185431 0.88170640962873 14.007 > 37 38 N 0.80264445017304 0.48136516185431 0.88170640962873 14.007 > 37 39 N 0.30264445017304 0.98136516185431 0.88170640962873 14.007 > 37 40 N 0.80264445017304 0.98136516185431 0.88170640962873 14.007 > 37 41 N 0.30264445017304 0.26863483814569 0.38170640962873 14.007 > 41 42 N 0.80264445017304 0.26863483814569 0.38170640962873 14.007 > 41 43 N 0.30264445017304 0.76863483814569 0.38170640962873 14.007 > 41 44 N 0.80264445017304 0.76863483814569 0.38170640962873 14.007 > 41 45 N 0.19735554982696 0.01863483814569 0.11829359037127 14.007 > 45 46 N 0.69735554982696 0.01863483814569 0.11829359037127 14.007 > 45 47 N 0.19735554982696 0.51863483814569 0.11829359037127 14.007 > 45 48 N 0.69735554982696 0.51863483814569 0.11829359037127 14.007 > 45 49 Al 0.32997809308630 0.04591740843942 0.06096473469717 26.982 > 49 50 Al 0.82997809308630 0.04591740843942 0.06096473469717 26.982 > 49 51 Al 0.32997809308630 0.54591740843942 0.06096473469717 26.982 > 49 52 Al 0.82997809308630 0.54591740843942 0.06096473469717 26.982 > 49 53 Al 0.17002190691370 0.29591740843942 0.43903526530283 26.982 > 53 54 Al 0.67002190691370 0.29591740843942 0.43903526530283 26.982 > 53 55 Al 0.17002190691370 0.79591740843942 0.43903526530283 26.982 > 53 56 Al 0.67002190691370 0.79591740843942 0.43903526530283 26.982 > 53 57 Al 0.17002190691370 0.45408259156058 0.93903526530283 26.982 > 57 58 Al 0.67002190691370 0.45408259156058 0.93903526530283 26.982 > 57 59 Al 0.17002190691370 0.95408259156058 0.93903526530283 26.982 > 57 60 Al 0.67002190691370 0.95408259156058 0.93903526530283 26.982 > 57 61 Al 0.32997809308630 0.20408259156058 0.56096473469717 26.982 > 61 62 Al 0.82997809308630 0.20408259156058 0.56096473469717 26.982 > 61 63 Al 0.32997809308630 0.70408259156058 0.56096473469717 26.982 > 61 64 Al 0.82997809308630 0.70408259156058 0.56096473469717 26.982 > 61 65 Ca 0.42718220765015 0.10896655557972 0.80574099758224 40.078 > 65 66 Ca 0.92718220765015 0.10896655557972 0.80574099758224 40.078 > 65 67 Ca 0.42718220765015 0.60896655557972 0.80574099758224 40.078 > 65 68 Ca 0.92718220765015 0.60896655557972 0.80574099758224 40.078 > 65 69 Ca 0.07281779234985 0.35896655557972 0.69425900241776 40.078 > 69 70 Ca 0.57281779234985 0.35896655557972 0.69425900241776 40.078 > 69 71 Ca 0.07281779234985 0.85896655557972 0.69425900241776 40.078 > 69 72 Ca 0.57281779234985 0.85896655557972 0.69425900241776 40.078 > 69 73 Ca 0.07281779234985 0.39103344442028 0.19425900241776 40.078 > 73 74 Ca 0.57281779234985 0.39103344442028 0.19425900241776 40.078 > 73 75 Ca 0.07281779234985 0.89103344442028 0.19425900241776 40.078 > 73 76 Ca 0.57281779234985 0.89103344442028 0.19425900241776 40.078 > 73 77 Ca 0.42718220765015 0.14103344442028 0.30574099758224 40.078 > 77 78 Ca 0.92718220765015 0.14103344442028 0.30574099758224 40.078 > 77 79 Ca 0.42718220765015 0.64103344442028 0.30574099758224 40.078 > 77 80 Ca 0.92718220765015 0.64103344442028 0.30574099758224 40.078 > 77 81 Ca 0.06375239688034 0.10339879515003 0.57635312455019 40.078 > 81 82 Ca 0.56375239688034 0.10339879515003 0.57635312455019 40.078 > 81 83 Ca 0.06375239688034 0.60339879515003 0.57635312455019 40.078 > 81 84 Ca 0.56375239688034 0.60339879515003 0.57635312455019 40.078 > 81 85 Ca 0.43624760311966 0.35339879515003 0.92364687544981 40.078 > 85 86 Ca 0.93624760311966 0.35339879515003 0.92364687544981 40.078 > 85 87 Ca 0.43624760311966 0.85339879515003 0.92364687544981 40.078 > 85 88 Ca 0.93624760311966 0.85339879515003 0.92364687544981 40.078 > 85 89 Ca 0.43624760311966 0.39660120484997 0.42364687544981 40.078 > 89 90 Ca 0.93624760311966 0.39660120484997 0.42364687544981 40.078 > 89 91 Ca 0.43624760311966 0.89660120484997 0.42364687544981 40.078 > 89 92 Ca 0.93624760311966 0.89660120484997 0.42364687544981 40.078 > 89 93 Ca 0.06375239688034 0.14660120484997 0.07635312455019 40.078 > 93 94 Ca 0.56375239688034 0.14660120484997 0.07635312455019 40.078 > 93 95 Ca 0.06375239688034 0.64660120484997 0.07635312455019 40.078 > 93 96 Ca 0.56375239688034 0.64660120484997 0.07635312455019 40.078 > 93 97 Ca 0.21201765312911 0.17934996955081 0.84958127227703 40.078 > 97 98 Ca 0.71201765312911 0.17934996955081 0.84958127227703 40.078 > 97 99 Ca 0.21201765312911 0.67934996955081 0.84958127227703 40.078 > 97 100 Ca 0.71201765312911 0.67934996955081 0.84958127227703 40.078 > 97 101 Ca 0.28798234687089 0.42934996955081 0.65041872772297 40.078 > 101 102 Ca 0.78798234687089 0.42934996955081 0.65041872772297 40.078 > 101 103 Ca 0.28798234687089 0.92934996955081 0.65041872772297 40.078 > 101 104 Ca 0.78798234687089 0.92934996955081 0.65041872772297 40.078 > 101 105 Ca 0.28798234687089 0.32065003044919 0.15041872772297 40.078 > 105 106 Ca 0.78798234687089 0.32065003044919 0.15041872772297 40.078 > 105 107 Ca 0.28798234687089 0.82065003044919 0.15041872772297 40.078 > 105 108 Ca 0.78798234687089 0.82065003044919 0.15041872772297 40.078 > 105 109 Ca 0.21201765312911 0.07065003044919 0.34958127227703 40.078 > 109 110 Ca 0.71201765312911 0.07065003044919 0.34958127227703 40.078 > 109 111 Ca 0.21201765312911 0.57065003044919 0.34958127227703 40.078 > 109 112 Ca 0.71201765312911 0.57065003044919 0.34958127227703 40.078 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.6967378 0.0000000 -0.0101571 0.0000000 5.9605014 0.0000000 -0.0101574 0.0000000 5.9123524 -------------------------- Born effective charges -------------------------- 1 N -2.9555590 -0.1383297 -0.2725137 -0.2698598 -2.9300165 -0.0716176 -0.3208212 -0.0526372 -2.9673009 2 N -2.9555590 0.1383297 -0.2725137 0.2698598 -2.9300165 0.0716176 -0.3208212 0.0526372 -2.9673009 3 N -2.9555590 -0.1383297 -0.2725137 -0.2698598 -2.9300165 -0.0716176 -0.3208212 -0.0526372 -2.9673009 4 N -2.9555590 0.1383297 -0.2725137 0.2698598 -2.9300165 0.0716176 -0.3208212 0.0526372 -2.9673009 5 N -2.6343307 -0.2067991 0.2024690 -0.2463839 -3.3295576 0.0875768 0.0316068 0.0358874 -2.7296947 6 N -2.6343307 0.2067991 0.2024690 0.2463839 -3.3295576 -0.0875768 0.0316068 -0.0358874 -2.7296947 7 N -2.6343307 -0.2067991 0.2024690 -0.2463839 -3.3295576 0.0875768 0.0316068 0.0358874 -2.7296947 8 N -2.6343307 0.2067991 0.2024690 0.2463839 -3.3295576 -0.0875768 0.0316068 -0.0358874 -2.7296947 9 N -3.0640237 0.1660656 -0.0052340 0.0367497 -2.6008079 0.2039859 0.2267747 0.1040006 -3.1266453 10 N -3.0640237 -0.1660656 -0.0052340 -0.0367497 -2.6008079 -0.2039859 0.2267747 -0.1040006 -3.1266453 11 N -3.0640237 0.1660656 -0.0052340 0.0367497 -2.6008079 0.2039859 0.2267747 0.1040006 -3.1266453 12 N -3.0640237 -0.1660656 -0.0052340 -0.0367497 -2.6008079 -0.2039859 0.2267747 -0.1040006 -3.1266453 13 Al 2.2833430 0.3111391 0.3656941 0.2812479 2.1348740 -0.2077331 0.2968541 -0.2331008 1.9384158 14 Al 2.2833430 -0.3111391 0.3656941 -0.2812479 2.1348740 0.2077331 0.2968541 0.2331008 1.9384158 15 Al 2.2833430 0.3111391 0.3656941 0.2812479 2.1348740 -0.2077331 0.2968541 -0.2331008 1.9384158 16 Al 2.2833430 -0.3111391 0.3656941 -0.2812479 2.1348740 0.2077331 0.2968541 0.2331008 1.9384158 17 Ca 2.1011276 0.0818117 -0.2032341 -0.0394764 2.0833280 -0.0457826 -0.1102192 -0.0978808 2.3011771 18 Ca 2.1011276 -0.0818117 -0.2032341 0.0394764 2.0833280 0.0457826 -0.1102192 0.0978808 2.3011771 19 Ca 2.1011276 0.0818117 -0.2032341 -0.0394764 2.0833280 -0.0457826 -0.1102192 -0.0978808 2.3011771 20 Ca 2.1011276 -0.0818117 -0.2032341 0.0394764 2.0833280 0.0457826 -0.1102192 0.0978808 2.3011771 21 Ca 2.1318245 0.0997694 -0.0688572 0.0571854 2.3051115 0.0083458 -0.1137719 0.0180463 2.2691856 22 Ca 2.1318245 -0.0997694 -0.0688572 -0.0571854 2.3051115 -0.0083458 -0.1137719 -0.0180463 2.2691856 23 Ca 2.1318245 0.0997694 -0.0688572 0.0571854 2.3051115 0.0083458 -0.1137719 0.0180463 2.2691856 24 Ca 2.1318245 -0.0997694 -0.0688572 -0.0571854 2.3051115 -0.0083458 -0.1137719 -0.0180463 2.2691856 25 Ca 2.1376183 0.0724773 -0.0183240 0.0297189 2.3370685 -0.0309357 -0.0104233 -0.1149192 2.3148624 26 Ca 2.1376183 -0.0724773 -0.0183240 -0.0297189 2.3370685 0.0309357 -0.0104233 0.1149192 2.3148624 27 Ca 2.1376183 0.0724773 -0.0183240 0.0297189 2.3370685 -0.0309357 -0.0104233 -0.1149192 2.3148624 28 Ca 2.1376183 -0.0724773 -0.0183240 -0.0297189 2.3370685 0.0309357 -0.0104233 0.1149192 2.3148624 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 8 5 ] 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: 0.56, Number of G-points: 307, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.477 ( 0.000 0.000 0.000) 0.000 2.679 ( 0.000 0.000 0.000) 0.000 3.021 ( 0.000 0.000 0.000) 0.000 3.042 ( 0.000 0.000 0.000) 0.000 3.609 ( 0.000 0.000 0.000) 0.000 3.748 ( 0.000 0.000 0.000) 0.000 3.765 ( 0.000 0.000 0.000) 0.000 3.866 ( 0.000 0.000 0.000) 0.000 4.332 ( 0.000 0.000 0.000) 0.000 4.404 ( 0.000 0.000 0.000) 0.000 4.676 ( 0.000 0.000 0.000) 0.000 4.686 ( 0.000 0.000 0.000) 0.000 4.738 ( 0.000 0.000 0.000) 0.000 5.128 ( 0.000 0.000 0.000) 0.000 5.685 ( 0.000 0.000 0.000) 0.000 5.813 ( 0.000 0.000 0.000) 0.000 5.937 ( 0.000 0.000 0.000) 0.000 6.064 ( 0.000 0.000 0.000) 0.000 6.130 ( 0.000 0.000 0.000) 0.000 6.223 ( 0.000 0.000 0.000) 0.000 6.313 ( 0.000 0.000 0.000) 0.000 6.447 ( 0.000 0.000 0.000) 0.000 6.515 ( 0.000 0.000 0.000) 0.000 6.664 ( 0.000 0.000 0.000) 0.000 7.008 ( 0.000 0.000 0.000) 0.000 7.115 ( 0.000 0.000 0.000) 0.000 7.261 ( 0.000 0.000 0.000) 0.000 7.397 ( 0.000 0.000 0.000) 0.000 7.406 ( 0.000 0.000 0.000) 0.000 7.432 ( 0.000 0.000 0.000) 0.000 7.705 ( 0.000 0.000 0.000) 0.000 7.762 ( 0.000 0.000 0.000) 0.000 7.935 ( 0.000 0.000 0.000) 0.000 7.970 ( 0.000 0.000 0.000) 0.000 8.039 ( 0.000 0.000 0.000) 0.000 8.139 ( 0.000 0.000 0.000) 0.000 8.447 ( 0.000 0.000 0.000) 0.000 8.513 ( 0.000 0.000 0.000) 0.000 8.671 ( 0.000 0.000 0.000) 0.000 8.778 ( 0.000 0.000 0.000) 0.000 8.808 ( 0.000 0.000 0.000) 0.000 8.855 ( 0.000 0.000 0.000) 0.000 9.135 ( 0.000 0.000 0.000) 0.000 9.552 ( 0.000 0.000 0.000) 0.000 9.583 ( 0.000 0.000 0.000) 0.000 9.729 ( 0.000 0.000 0.000) 0.000 9.963 ( 0.000 0.000 0.000) 0.000 10.139 ( 0.000 0.000 0.000) 0.000 10.401 ( 0.000 0.000 0.000) 0.000 10.405 ( 0.000 0.000 0.000) 0.000 10.754 ( 0.000 0.000 0.000) 0.000 10.781 ( 0.000 0.000 0.000) 0.000 11.405 ( 0.000 0.000 0.000) 0.000 11.579 ( 0.000 0.000 0.000) 0.000 12.000 ( 0.000 0.000 0.000) 0.000 12.099 ( 0.000 0.000 0.000) 0.000 12.199 ( 0.000 0.000 0.000) 0.000 12.290 ( 0.000 0.000 0.000) 0.000 12.802 ( 0.000 0.000 0.000) 0.000 12.915 ( 0.000 0.000 0.000) 0.000 13.105 ( 0.000 0.000 0.000) 0.000 14.027 ( 0.000 0.000 0.000) 0.000 14.239 ( 0.000 0.000 0.000) 0.000 14.448 ( 0.000 0.000 0.000) 0.000 14.944 ( 0.000 0.000 0.000) 0.000 16.118 ( 0.000 0.000 0.000) 0.000 16.206 ( 0.000 0.000 0.000) 0.000 16.539 ( 0.000 0.000 0.000) 0.000 16.836 ( 0.000 0.000 0.000) 0.000 17.912 ( 0.000 0.000 0.000) 0.000 18.302 ( 0.000 0.000 0.000) 0.000 18.709 ( 0.000 0.000 0.000) 0.000 18.720 ( 0.000 0.000 0.000) 0.000 19.196 ( 0.000 0.000 0.000) 0.000 19.298 ( 0.000 0.000 0.000) 0.000 19.318 ( 0.000 0.000 0.000) 0.000 19.562 ( 0.000 0.000 0.000) 0.000 19.926 ( 0.000 0.000 0.000) 0.000 20.323 ( 0.000 0.000 0.000) 0.000 20.376 ( 0.000 0.000 0.000) 0.000 20.646 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 31.344 0.000 12.633) 33.794 0.942 ( 45.778 0.000 -11.347) 47.163 1.574 ( 72.452 0.000 10.848) 73.259 2.652 ( 14.958 0.000 1.717) 15.056 2.663 ( -2.145 0.000 7.452) 7.755 2.875 ( -14.867 0.000 -1.486) 14.941 3.093 ( 4.056 0.000 5.415) 6.765 3.274 ( -10.433 0.000 -1.094) 10.490 3.752 ( 3.686 0.000 2.648) 4.538 3.892 ( 2.205 0.000 -2.484) 3.322 4.094 ( -13.256 0.000 -12.575) 18.271 4.184 ( -3.433 0.000 10.458) 11.007 4.560 ( 15.065 0.000 -7.240) 16.714 4.643 ( -2.769 0.000 -6.478) 7.045 4.679 ( 6.110 0.000 18.464) 19.449 4.971 ( 11.490 0.000 -1.794) 11.629 5.138 ( 2.082 0.000 -7.394) 7.681 5.634 ( -3.054 0.000 -10.979) 11.395 5.839 ( -3.732 0.000 -1.925) 4.199 5.938 ( -5.650 0.000 1.220) 5.781 5.964 ( -1.224 0.000 -0.086) 1.227 6.102 ( 3.505 0.000 2.421) 4.260 6.235 ( -4.815 0.000 -8.665) 9.913 6.435 ( -4.835 0.000 6.232) 7.888 6.497 ( 5.314 0.000 5.223) 7.451 6.695 ( 0.026 0.000 -0.167) 0.169 6.835 ( -10.137 0.000 8.059) 12.950 6.973 ( -4.062 0.000 0.991) 4.181 7.121 ( -18.564 0.000 19.331) 26.801 7.133 ( 2.074 0.000 -0.769) 2.211 7.320 ( -0.349 0.000 8.525) 8.532 7.404 ( -0.779 0.000 0.450) 0.900 7.422 ( 6.194 0.000 -13.043) 14.439 7.664 ( 1.691 0.000 -14.314) 14.414 7.837 ( -3.592 0.000 -10.927) 11.502 7.907 ( 8.489 0.000 0.823) 8.529 8.006 ( -10.842 0.000 11.038) 15.472 8.058 ( 1.326 0.000 4.307) 4.506 8.232 ( 6.702 0.000 -12.249) 13.963 8.439 ( 4.896 0.000 1.189) 5.039 8.614 ( -3.299 0.000 20.480) 20.744 8.690 ( -2.887 0.000 2.056) 3.545 8.768 ( 3.165 0.000 3.766) 4.919 8.954 ( 10.960 0.000 7.917) 13.520 8.973 ( -5.346 0.000 -14.307) 15.274 9.082 ( -3.284 0.000 5.559) 6.457 9.526 ( -6.248 0.000 -10.052) 11.836 9.707 ( -11.420 0.000 -15.731) 19.439 9.832 ( 9.303 0.000 -0.320) 9.308 10.041 ( 5.189 0.000 -0.166) 5.192 10.137 ( -1.229 0.000 0.272) 1.258 10.354 ( -3.945 0.000 -3.648) 5.373 10.421 ( 2.378 0.000 0.346) 2.403 10.689 ( -4.269 0.000 4.711) 6.357 11.153 ( -1.216 0.000 1.892) 2.249 11.545 ( 8.167 0.000 6.701) 10.565 11.825 ( -12.343 0.000 1.577) 12.443 11.920 ( -10.280 0.000 -7.724) 12.858 12.169 ( -4.171 0.000 0.282) 4.181 12.312 ( 0.377 0.000 -2.461) 2.490 12.527 ( -3.062 0.000 -8.720) 9.242 12.702 ( -8.103 0.000 -4.967) 9.504 13.014 ( 10.577 0.000 6.746) 12.545 13.142 ( 1.936 0.000 4.678) 5.063 14.138 ( 9.397 0.000 1.874) 9.582 14.177 ( -4.507 0.000 1.555) 4.768 14.647 ( 1.446 0.000 -12.865) 12.947 14.904 ( -3.562 0.000 -5.991) 6.970 16.102 ( -4.369 0.000 2.496) 5.032 16.133 ( 1.450 0.000 -2.204) 2.638 16.799 ( 18.028 0.000 -4.171) 18.504 17.485 ( 2.814 0.000 -31.077) 31.204 18.332 ( 2.885 0.000 0.752) 2.981 18.647 ( -3.007 0.000 -1.838) 3.524 18.758 ( 2.037 0.000 -6.819) 7.117 19.054 ( -4.694 0.000 10.565) 11.561 19.118 ( -5.065 0.000 -1.742) 5.356 19.344 ( 2.129 0.000 -4.879) 5.323 19.357 ( 0.805 0.000 2.723) 2.839 19.571 ( 3.186 0.000 2.841) 4.269 20.279 ( -3.693 0.000 5.849) 6.918 20.419 ( 4.189 0.000 -4.643) 6.253 20.681 ( 2.950 0.000 -8.713) 9.198 21.321 ( -5.191 0.000 55.474) 55.717 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 26.454 0.000 11.701) 28.926 1.865 ( 42.474 0.000 -9.009) 43.419 2.571 ( -10.934 0.000 -16.378) 19.693 2.629 ( -1.994 0.000 23.885) 23.968 2.936 ( 35.702 0.000 9.360) 36.909 3.033 ( 30.623 0.000 1.066) 30.641 3.124 ( -5.499 0.000 -3.754) 6.658 3.239 ( 14.349 0.000 0.274) 14.352 3.793 ( -8.354 0.000 -3.040) 8.890 3.816 ( 0.904 0.000 0.251) 0.939 3.887 ( -18.023 0.000 4.901) 18.678 4.006 ( 4.633 0.000 -4.506) 6.463 4.528 ( -6.264 0.000 -18.546) 19.575 4.796 ( 4.357 0.000 15.169) 15.782 4.808 ( 5.841 0.000 9.281) 10.966 5.176 ( 2.597 0.000 -8.026) 8.436 5.457 ( 31.431 0.000 -13.907) 34.371 5.473 ( -10.672 0.000 -9.622) 14.369 5.745 ( -5.917 0.000 4.119) 7.209 5.763 ( -8.074 0.000 0.054) 8.074 6.025 ( 4.162 0.000 1.270) 4.351 6.120 ( -12.955 0.000 4.695) 13.780 6.153 ( -1.290 0.000 -8.209) 8.310 6.306 ( -0.402 0.000 13.291) 13.297 6.536 ( -3.245 0.000 3.407) 4.705 6.583 ( -9.273 0.000 2.541) 9.615 6.678 ( -0.168 0.000 0.474) 0.503 6.883 ( -7.729 0.000 15.989) 17.759 6.921 ( -1.928 0.000 3.221) 3.754 7.114 ( -2.202 0.000 -10.473) 10.702 7.264 ( -4.595 0.000 7.679) 8.949 7.375 ( -1.441 0.000 -0.263) 1.465 7.563 ( -2.903 0.000 4.426) 5.293 7.685 ( -7.232 0.000 1.203) 7.332 7.774 ( -0.222 0.000 -11.915) 11.917 7.877 ( 18.619 0.000 -21.488) 28.433 8.040 ( 1.198 0.000 12.986) 13.041 8.079 ( 1.768 0.000 -7.721) 7.921 8.330 ( -13.732 0.000 -6.352) 15.130 8.356 ( 5.295 0.000 -8.179) 9.743 8.510 ( -7.184 0.000 -1.343) 7.309 8.653 ( 0.143 0.000 0.025) 0.145 8.879 ( -1.809 0.000 5.648) 5.931 8.935 ( 0.018 0.000 12.074) 12.074 9.113 ( -16.097 0.000 1.316) 16.151 9.138 ( 13.857 0.000 15.299) 20.642 9.237 ( 4.909 0.000 2.315) 5.428 9.586 ( -2.502 0.000 -14.199) 14.417 10.037 ( 7.582 0.000 0.331) 7.589 10.100 ( 0.392 0.000 -0.486) 0.625 10.103 ( -1.158 0.000 -3.909) 4.077 10.308 ( 1.363 0.000 -3.093) 3.380 10.495 ( 4.064 0.000 1.259) 4.255 10.601 ( -5.647 0.000 5.364) 7.789 11.125 ( -1.493 0.000 -2.282) 2.727 11.437 ( -12.535 0.000 -1.133) 12.586 11.720 ( -7.192 0.000 -4.464) 8.465 11.807 ( 4.243 0.000 11.124) 11.906 12.044 ( -7.737 0.000 0.737) 7.772 12.262 ( -5.425 0.000 -3.418) 6.412 12.378 ( -7.337 0.000 -4.133) 8.421 12.527 ( -5.305 0.000 -5.386) 7.560 13.147 ( -2.260 0.000 0.933) 2.445 13.311 ( 14.075 0.000 9.787) 17.143 14.142 ( 2.321 0.000 4.494) 5.058 14.360 ( 10.278 0.000 -1.490) 10.385 14.645 ( -0.850 0.000 -4.057) 4.145 14.777 ( -7.592 0.000 -8.404) 11.326 16.082 ( 1.335 0.000 2.472) 2.810 16.166 ( 1.830 0.000 -2.571) 3.156 17.142 ( 13.762 0.000 -3.760) 14.267 17.507 ( 1.924 0.000 -12.067) 12.220 18.424 ( 5.674 0.000 1.660) 5.912 18.585 ( -2.647 0.000 1.591) 3.088 18.781 ( 0.849 0.000 -3.630) 3.728 18.964 ( -4.354 0.000 5.684) 7.160 18.977 ( -8.393 0.000 -3.319) 9.025 19.328 ( -1.531 0.000 2.277) 2.744 19.377 ( 1.447 0.000 -3.626) 3.904 19.718 ( 8.180 0.000 5.730) 9.987 20.213 ( -3.009 0.000 4.542) 5.448 20.522 ( 5.805 0.000 -6.817) 8.954 20.714 ( 0.970 0.000 -9.005) 9.057 21.273 ( -4.292 0.000 25.027) 25.393 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 11.738 0.000 7.950) 14.177 2.376 ( -5.079 0.000 -10.532) 11.692 2.615 ( 27.148 0.000 -4.688) 27.550 2.723 ( 8.553 0.000 11.784) 14.561 2.986 ( -8.716 0.000 0.992) 8.772 3.040 ( -6.839 0.000 1.525) 7.007 3.467 ( 9.265 0.000 -1.476) 9.382 3.550 ( -10.617 0.000 -4.148) 11.398 3.620 ( 10.409 0.000 -6.112) 12.071 3.799 ( -1.492 0.000 -0.106) 1.496 3.904 ( -2.283 0.000 7.142) 7.498 4.106 ( 6.695 0.000 10.999) 12.876 4.426 ( 2.402 0.000 -16.605) 16.777 4.947 ( 4.936 0.000 7.383) 8.881 5.062 ( 25.225 0.000 1.721) 25.283 5.242 ( 3.865 0.000 -3.736) 5.376 5.264 ( -6.009 0.000 -8.239) 10.197 5.535 ( -10.998 0.000 17.322) 20.518 5.574 ( -6.691 0.000 0.237) 6.695 5.729 ( -24.717 0.000 -3.146) 24.917 5.970 ( 11.377 0.000 -12.241) 16.711 6.118 ( -3.839 0.000 5.788) 6.946 6.208 ( 16.823 0.000 -10.176) 19.662 6.325 ( -0.447 0.000 2.685) 2.722 6.425 ( -5.219 0.000 5.520) 7.596 6.510 ( 0.819 0.000 4.330) 4.407 6.705 ( 0.979 0.000 -1.017) 1.412 6.797 ( -2.378 0.000 4.980) 5.519 6.899 ( -0.853 0.000 3.963) 4.054 7.002 ( -8.450 0.000 -5.070) 9.855 7.065 ( -9.444 0.000 4.063) 10.281 7.364 ( 0.238 0.000 0.224) 0.327 7.429 ( -1.151 0.000 3.244) 3.442 7.780 ( 1.294 0.000 -6.517) 6.644 7.790 ( 7.597 0.000 -0.902) 7.650 7.962 ( -5.088 0.000 -0.370) 5.102 8.022 ( -11.284 0.000 -1.847) 11.434 8.137 ( 2.197 0.000 -2.012) 2.979 8.280 ( 16.601 0.000 -19.305) 25.461 8.328 ( -4.285 0.000 5.798) 7.209 8.475 ( 2.267 0.000 -7.579) 7.911 8.658 ( 0.394 0.000 -1.314) 1.372 8.799 ( -7.392 0.000 1.907) 7.634 8.807 ( -9.953 0.000 15.497) 18.418 8.883 ( -0.180 0.000 1.389) 1.401 9.367 ( 2.191 0.000 7.637) 7.946 9.490 ( 11.968 0.000 7.847) 14.311 9.539 ( 0.127 0.000 -8.898) 8.898 10.051 ( -1.894 0.000 -4.119) 4.534 10.087 ( -0.112 0.000 -2.097) 2.100 10.126 ( -0.995 0.000 4.457) 4.567 10.371 ( 3.244 0.000 -2.969) 4.398 10.488 ( -3.749 0.000 3.417) 5.073 10.569 ( 2.173 0.000 0.612) 2.258 11.091 ( -1.145 0.000 -1.209) 1.665 11.269 ( -2.994 0.000 -2.732) 4.054 11.632 ( -0.932 0.000 -3.017) 3.158 11.822 ( -3.032 0.000 7.621) 8.202 11.870 ( -6.751 0.000 2.054) 7.056 12.139 ( -3.058 0.000 -3.464) 4.621 12.281 ( -1.745 0.000 -1.749) 2.471 12.492 ( 0.472 0.000 -1.907) 1.965 13.084 ( -2.338 0.000 -0.634) 2.422 13.549 ( 6.290 0.000 4.884) 7.963 14.277 ( 7.913 0.000 5.895) 9.867 14.526 ( 5.903 0.000 -7.889) 9.853 14.583 ( -8.734 0.000 -7.100) 11.256 14.603 ( -2.983 0.000 5.204) 5.999 16.122 ( 1.346 0.000 1.111) 1.746 16.194 ( 0.834 0.000 -1.074) 1.360 17.334 ( 4.718 0.000 -1.447) 4.935 17.527 ( 0.774 0.000 -3.490) 3.575 18.547 ( -1.048 0.000 0.961) 1.422 18.568 ( 7.434 0.000 2.717) 7.915 18.778 ( -9.098 0.000 -3.597) 9.783 18.787 ( 0.172 0.000 -1.276) 1.287 18.903 ( -1.714 0.000 1.743) 2.445 19.322 ( 0.195 0.000 0.997) 1.015 19.394 ( 0.452 0.000 -1.181) 1.265 19.864 ( 4.086 0.000 3.136) 5.151 20.171 ( -1.200 0.000 1.511) 1.930 20.615 ( 2.973 0.000 -3.701) 4.747 20.706 ( -0.358 0.000 -4.019) 4.034 21.222 ( -2.126 0.000 8.621) 8.880 ======================= Grid point 7 (5/90) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 0.000 31.872 0.000) 31.872 0.939 ( 0.000 43.722 0.000) 43.722 1.398 ( 0.000 64.417 0.000) 64.417 2.678 ( 0.000 9.669 0.000) 9.669 2.796 ( 0.000 13.594 0.000) 13.594 3.117 ( 0.000 11.361 0.000) 11.361 3.171 ( 0.000 8.655 0.000) 8.655 3.630 ( 0.000 0.278 0.000) 0.278 3.748 ( 0.000 -3.858 0.000) 3.858 3.846 ( 0.000 10.997 0.000) 10.997 3.921 ( 0.000 4.914 0.000) 4.914 4.242 ( 0.000 -7.888 0.000) 7.888 4.425 ( 0.000 1.617 0.000) 1.617 4.604 ( 0.000 -1.537 0.000) 1.537 4.714 ( 0.000 -3.661 0.000) 3.661 4.759 ( 0.000 2.385 0.000) 2.385 5.385 ( 0.000 6.770 0.000) 6.770 5.724 ( 0.000 3.844 0.000) 3.844 5.862 ( 0.000 5.306 0.000) 5.306 6.031 ( 0.000 -4.334 0.000) 4.334 6.073 ( 0.000 1.114 0.000) 1.114 6.108 ( 0.000 -12.857 0.000) 12.857 6.183 ( 0.000 5.850 0.000) 5.850 6.306 ( 0.000 4.381 0.000) 4.381 6.399 ( 0.000 -2.904 0.000) 2.904 6.580 ( 0.000 4.492 0.000) 4.492 6.658 ( 0.000 -5.499 0.000) 5.499 6.984 ( 0.000 -4.099 0.000) 4.099 7.121 ( 0.000 -11.005 0.000) 11.005 7.191 ( 0.000 1.420 0.000) 1.420 7.205 ( 0.000 -7.329 0.000) 7.329 7.510 ( 0.000 -1.721 0.000) 1.721 7.610 ( 0.000 0.336 0.000) 0.336 7.712 ( 0.000 -13.324 0.000) 13.324 7.720 ( 0.000 3.372 0.000) 3.372 7.818 ( 0.000 -10.683 0.000) 10.683 7.871 ( 0.000 8.689 0.000) 8.689 8.004 ( 0.000 -7.933 0.000) 7.933 8.172 ( 0.000 6.913 0.000) 6.913 8.485 ( 0.000 -3.503 0.000) 3.503 8.508 ( 0.000 2.986 0.000) 2.986 8.666 ( 0.000 -4.759 0.000) 4.759 8.791 ( 0.000 -1.960 0.000) 1.960 8.809 ( 0.000 1.426 0.000) 1.426 9.301 ( 0.000 -11.416 0.000) 11.416 9.308 ( 0.000 12.353 0.000) 12.353 9.504 ( 0.000 -7.724 0.000) 7.724 9.633 ( 0.000 -5.471 0.000) 5.471 9.895 ( 0.000 -6.307 0.000) 6.307 10.007 ( 0.000 -6.089 0.000) 6.089 10.289 ( 0.000 -7.733 0.000) 7.733 10.551 ( 0.000 13.802 0.000) 13.802 10.683 ( 0.000 -7.086 0.000) 7.086 10.986 ( 0.000 17.176 0.000) 17.176 11.309 ( 0.000 -12.702 0.000) 12.702 11.494 ( 0.000 6.127 0.000) 6.127 11.776 ( 0.000 15.134 0.000) 15.134 11.859 ( 0.000 -9.489 0.000) 9.489 12.072 ( 0.000 -7.071 0.000) 7.071 12.194 ( 0.000 3.287 0.000) 3.287 12.332 ( 0.000 0.777 0.000) 0.777 12.854 ( 0.000 -4.073 0.000) 4.073 12.974 ( 0.000 3.618 0.000) 3.618 13.098 ( 0.000 -0.387 0.000) 0.387 14.085 ( 0.000 5.105 0.000) 5.105 14.378 ( 0.000 -6.214 0.000) 6.214 14.576 ( 0.000 -5.436 0.000) 5.436 14.924 ( 0.000 -2.149 0.000) 2.149 16.109 ( 0.000 -1.016 0.000) 1.016 16.143 ( 0.000 -5.232 0.000) 5.232 16.544 ( 0.000 -1.382 0.000) 1.382 16.799 ( 0.000 -3.607 0.000) 3.607 17.977 ( 0.000 5.810 0.000) 5.810 18.726 ( 0.000 0.414 0.000) 0.414 18.782 ( 0.000 6.465 0.000) 6.465 19.168 ( 0.000 -0.168 0.000) 0.168 19.235 ( 0.000 3.324 0.000) 3.324 19.315 ( 0.000 -0.232 0.000) 0.232 19.568 ( 0.000 0.652 0.000) 0.652 19.928 ( 0.000 -1.219 0.000) 1.219 20.000 ( 0.000 7.074 0.000) 7.074 20.379 ( 0.000 0.248 0.000) 0.248 20.636 ( 0.000 -0.825 0.000) 0.825 21.479 ( 0.000 -4.590 0.000) 4.590 ======================= Grid point 8 (6/90) ======================= q-point: ( 0.14 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 24.583 30.422 2.825) 39.215 1.275 ( 35.327 24.861 -19.157) 47.255 1.956 ( 46.134 37.033 15.222) 61.086 2.694 ( -1.771 1.741 5.777) 6.289 2.853 ( 8.401 18.159 -2.019) 20.110 2.948 ( -15.426 6.258 4.836) 17.335 3.229 ( 6.667 14.135 2.524) 15.831 3.445 ( -3.601 12.382 -3.251) 13.298 3.737 ( 2.516 -1.125 3.954) 4.819 3.897 ( 3.125 2.137 -2.072) 4.316 4.120 ( -7.057 3.341 -10.989) 13.481 4.222 ( -10.880 1.421 11.602) 15.969 4.451 ( 8.524 -6.159 9.006) 13.846 4.614 ( 8.230 -2.435 -3.615) 9.313 4.672 ( 11.209 0.106 -14.130) 18.036 4.984 ( 8.881 1.395 -3.920) 9.807 5.281 ( -5.054 9.856 0.582) 11.092 5.655 ( -3.826 1.683 -9.073) 9.989 5.859 ( -4.249 1.024 2.136) 4.865 5.913 ( -7.583 -3.364 -6.558) 10.575 6.021 ( 2.359 2.137 5.491) 6.347 6.068 ( -4.890 -4.780 -6.308) 9.303 6.184 ( 0.740 -0.731 5.721) 5.815 6.423 ( 0.475 -2.616 2.094) 3.385 6.479 ( 6.091 0.129 5.755) 8.380 6.585 ( -0.223 1.241 -1.973) 2.341 6.694 ( -2.582 -7.790 -0.137) 8.208 6.883 ( -4.867 -5.617 5.689) 9.359 7.062 ( -7.938 -4.716 9.334) 13.129 7.143 ( -2.890 -4.697 -5.369) 7.697 7.236 ( -0.389 -3.379 9.459) 10.053 7.500 ( -5.435 0.140 2.513) 5.990 7.556 ( 0.062 -0.447 0.371) 0.584 7.667 ( 9.249 3.386 -20.559) 22.796 7.720 ( -2.754 -9.452 -4.186) 10.697 7.772 ( -3.475 -11.454 5.324) 13.100 7.995 ( 5.478 8.584 3.800) 10.870 8.138 ( 4.755 -2.826 -1.060) 5.632 8.172 ( 0.032 -2.164 -7.708) 8.006 8.483 ( -0.821 1.884 1.463) 2.523 8.574 ( 5.434 1.804 4.935) 7.559 8.615 ( -1.966 -4.187 -0.333) 4.637 8.787 ( -0.883 -3.104 5.080) 6.018 8.908 ( 3.144 -2.553 7.649) 8.655 9.043 ( -12.189 -0.023 0.762) 12.213 9.223 ( -5.788 4.635 5.653) 9.325 9.483 ( 0.244 -5.289 -1.359) 5.467 9.586 ( -10.225 0.175 -6.533) 12.135 9.776 ( -5.214 -13.837 -3.519) 15.200 10.083 ( 5.178 -0.021 -0.567) 5.209 10.273 ( -5.890 7.128 -3.361) 9.839 10.358 ( -1.595 2.405 -1.476) 3.241 10.542 ( 0.078 10.826 -0.001) 10.826 10.884 ( -9.930 15.066 4.552) 18.609 11.137 ( 1.339 -1.863 -5.525) 5.983 11.582 ( -7.420 -2.443 4.381) 8.956 11.803 ( 2.864 2.793 3.365) 5.228 11.904 ( -8.008 -0.436 -3.197) 8.634 12.181 ( -2.818 0.573 0.725) 2.966 12.293 ( -1.692 -3.258 -1.804) 4.091 12.356 ( 14.969 -10.942 -9.778) 20.962 12.747 ( -10.557 4.811 -5.333) 12.769 12.873 ( 2.504 -6.769 5.425) 9.029 13.142 ( 1.322 -0.392 4.922) 5.111 14.146 ( 6.404 3.118 3.752) 8.051 14.291 ( -6.908 4.071 1.093) 8.092 14.470 ( 0.015 -10.993 -9.060) 14.245 14.974 ( -1.673 0.668 -3.080) 3.568 16.054 ( -2.614 -2.913 1.692) 4.264 16.125 ( 1.134 -1.732 -1.693) 2.675 16.759 ( 16.284 -3.365 -2.813) 16.864 17.261 ( 21.023 -16.741 -14.326) 30.454 18.077 ( 7.986 -2.474 4.291) 9.397 18.690 ( -3.064 1.038 4.840) 5.822 18.799 ( 1.218 5.146 -2.079) 5.682 19.137 ( -3.225 0.712 0.952) 3.437 19.229 ( -4.532 4.777 2.656) 7.100 19.315 ( 0.839 0.465 -3.093) 3.238 19.476 ( -5.878 5.714 -2.083) 8.458 19.660 ( -2.508 7.916 -4.589) 9.488 20.193 ( 2.292 -3.381 8.207) 9.168 20.444 ( 3.714 0.472 -5.094) 6.322 20.669 ( 3.521 -0.700 -6.770) 7.663 21.354 ( -8.539 -0.694 27.227) 28.543 ======================= Grid point 9 (7/90) ======================= q-point: ( 0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 23.605 28.107 4.247) 36.949 2.050 ( 37.401 14.196 -12.557) 41.929 2.590 ( -4.671 2.500 0.336) 5.308 2.657 ( -6.398 5.594 10.459) 13.477 2.945 ( 23.942 7.169 1.797) 25.057 3.092 ( 13.128 12.210 3.834) 18.334 3.327 ( 6.281 9.564 -3.598) 11.995 3.561 ( 9.503 18.485 3.439) 21.068 3.807 ( -2.788 5.555 1.917) 6.504 3.862 ( -5.081 1.897 1.740) 5.696 3.936 ( 3.453 7.402 2.982) 8.695 4.076 ( -1.216 7.271 -8.066) 10.928 4.498 ( -4.093 -1.779 -5.132) 6.801 4.670 ( 7.271 -6.806 4.327) 10.859 4.945 ( 3.335 9.138 2.207) 9.975 5.213 ( -0.421 2.212 0.149) 2.257 5.358 ( 20.470 -3.560 -15.120) 25.697 5.552 ( 1.092 0.066 -11.142) 11.196 5.694 ( -8.285 -3.809 1.584) 9.256 5.774 ( -9.631 4.239 2.037) 10.718 5.971 ( 0.332 -6.262 -7.941) 10.119 6.126 ( 2.521 -1.713 3.253) 4.458 6.229 ( -6.530 6.867 4.725) 10.589 6.309 ( -2.230 -2.370 15.146) 15.492 6.442 ( -10.397 -5.091 3.584) 12.118 6.525 ( -3.666 -3.002 7.086) 8.524 6.654 ( 3.767 -1.096 -3.069) 4.981 6.848 ( -0.818 -3.769 3.135) 4.970 6.969 ( -4.389 2.382 7.176) 8.743 7.071 ( -2.071 -3.545 -8.847) 9.753 7.217 ( 0.102 -6.096 4.726) 7.714 7.318 ( -12.234 -2.232 0.528) 12.447 7.527 ( -10.380 -8.951 5.636) 14.820 7.643 ( 2.924 -3.855 0.935) 4.928 7.740 ( 0.460 -1.759 -5.763) 6.043 7.927 ( 13.307 -0.885 -16.118) 20.920 8.054 ( -0.602 1.496 6.152) 6.360 8.100 ( 4.273 5.706 -6.361) 9.554 8.245 ( -3.000 -7.356 -13.967) 16.068 8.379 ( -5.368 2.564 -2.240) 6.357 8.478 ( -5.034 -0.800 -4.408) 6.739 8.694 ( -0.357 1.949 2.260) 3.006 8.781 ( -0.327 -6.381 4.503) 7.817 8.909 ( -1.820 -2.151 10.891) 11.250 9.071 ( -12.810 -1.458 5.799) 14.137 9.111 ( 11.822 -4.990 11.269) 17.077 9.353 ( -4.232 5.061 0.055) 6.598 9.495 ( 1.755 -5.187 -7.386) 9.194 9.721 ( -1.427 -13.112 0.848) 13.217 10.173 ( 2.949 3.026 -1.894) 4.630 10.242 ( 2.861 5.577 -1.411) 6.425 10.396 ( 2.478 0.133 -1.708) 3.012 10.574 ( 1.564 8.401 -0.279) 8.550 10.711 ( -5.621 9.262 5.519) 12.159 11.160 ( -0.062 3.050 -4.976) 5.837 11.352 ( -10.334 -6.581 -2.289) 12.464 11.717 ( -8.317 0.510 -1.188) 8.417 11.867 ( -0.805 2.841 8.271) 8.782 12.048 ( -7.980 1.200 -0.420) 8.081 12.219 ( -4.685 -3.270 -2.825) 6.373 12.381 ( -4.857 0.336 -5.604) 7.424 12.617 ( -2.610 7.608 -4.083) 9.021 13.029 ( 6.627 -15.655 4.143) 17.497 13.184 ( 3.557 -2.865 4.646) 6.515 14.231 ( 2.073 4.421 3.402) 5.952 14.326 ( 8.635 -2.310 1.585) 9.078 14.463 ( -0.642 -9.696 -4.350) 10.647 14.871 ( -6.715 2.676 -5.838) 9.292 16.054 ( 1.913 -1.853 2.126) 3.408 16.160 ( 1.685 -1.266 -2.600) 3.347 17.091 ( 14.229 -4.422 -2.469) 15.103 17.493 ( 5.673 -3.956 -9.993) 12.153 18.253 ( 7.763 -6.923 1.727) 10.544 18.623 ( -3.901 -1.088 3.901) 5.623 18.819 ( 0.938 5.602 -2.019) 6.028 19.047 ( -6.874 3.848 2.877) 8.387 19.072 ( -5.308 7.578 -1.048) 9.311 19.312 ( -1.456 1.219 -1.632) 2.504 19.447 ( 1.199 4.414 -1.619) 4.852 19.725 ( 6.351 1.433 3.477) 7.381 20.189 ( -2.222 -1.808 5.006) 5.767 20.511 ( 3.968 -1.211 -8.159) 9.153 20.723 ( 1.922 0.795 -7.255) 7.548 21.252 ( -4.643 -2.225 20.558) 21.193 ======================= Grid point 10 (8/90) ======================= q-point: ( 0.43 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 12.373 27.696 4.915) 30.729 2.421 ( -4.289 4.264 -8.053) 10.071 2.697 ( 8.745 -2.018 4.482) 10.032 2.722 ( 19.885 11.003 -0.691) 22.737 2.961 ( -8.588 5.715 2.948) 10.728 3.259 ( -5.404 5.707 -0.292) 7.865 3.429 ( 1.252 7.357 -2.931) 8.018 3.661 ( 7.077 1.452 -2.149) 7.537 3.717 ( -1.594 13.935 -0.190) 14.027 3.877 ( 4.081 9.626 -0.018) 10.455 4.053 ( -5.361 9.417 0.010) 10.836 4.200 ( 4.644 8.577 9.275) 13.460 4.414 ( 2.168 -1.133 -10.123) 10.415 4.985 ( 8.217 3.041 4.653) 9.921 5.053 ( 17.757 -0.541 0.709) 17.780 5.197 ( -0.427 -1.860 3.604) 4.078 5.355 ( 1.230 5.369 -16.384) 17.285 5.510 ( -11.243 -1.690 6.077) 12.891 5.560 ( -4.463 2.514 11.520) 12.607 5.823 ( -10.255 4.908 -9.572) 14.862 5.985 ( 1.263 2.886 -4.462) 5.462 6.088 ( 10.511 -10.447 -9.518) 17.613 6.132 ( -3.191 -0.318 4.454) 5.488 6.265 ( -1.147 -4.842 7.162) 8.721 6.356 ( -2.085 -2.715 6.067) 6.966 6.483 ( 0.028 -3.134 3.775) 4.907 6.716 ( 0.319 -0.473 -0.096) 0.579 6.852 ( -0.620 -2.863 0.108) 2.932 6.890 ( -6.298 -5.720 3.620) 9.246 6.973 ( -4.271 1.771 -0.336) 4.636 7.060 ( -3.568 5.607 1.594) 6.835 7.265 ( 0.261 -6.452 -1.876) 6.724 7.375 ( -2.742 -5.914 1.627) 6.719 7.692 ( 1.074 -5.928 -2.710) 6.606 7.792 ( 4.043 -4.063 -1.493) 5.923 7.976 ( -7.192 -0.474 0.612) 7.234 7.992 ( -3.106 0.404 -4.424) 5.421 8.078 ( -2.222 -14.597 -0.837) 14.789 8.340 ( 1.131 3.206 1.340) 3.654 8.377 ( 11.529 7.989 -12.731) 18.943 8.420 ( 3.219 1.839 -12.264) 12.812 8.674 ( -1.386 0.320 3.323) 3.615 8.737 ( -7.437 -3.253 7.193) 10.846 8.825 ( -2.346 -4.477 2.258) 5.536 8.870 ( -5.343 3.444 8.370) 10.510 9.239 ( -1.457 -7.052 1.414) 7.338 9.448 ( 9.807 -5.114 4.627) 11.989 9.549 ( 2.202 -2.073 -2.033) 3.644 9.667 ( -4.085 -15.658 1.426) 16.245 10.211 ( 1.299 6.504 -1.328) 6.764 10.342 ( 5.892 3.330 -1.235) 6.880 10.438 ( -0.627 0.908 0.558) 1.236 10.520 ( -3.526 11.057 1.119) 11.660 10.697 ( 1.258 8.124 0.967) 8.278 11.119 ( -1.704 2.187 -1.530) 3.167 11.229 ( -2.057 -3.018 -2.603) 4.485 11.598 ( -2.360 -2.249 -1.821) 3.734 11.775 ( -5.766 -5.174 5.182) 9.320 11.890 ( -5.366 4.047 -0.243) 6.725 12.148 ( -1.337 -0.011 -1.177) 1.782 12.306 ( -1.516 1.902 -1.720) 2.979 12.600 ( 0.419 9.683 -1.459) 9.801 13.048 ( -1.370 -5.680 -0.376) 5.855 13.315 ( 4.670 -15.373 3.420) 16.427 14.332 ( 4.248 -4.435 0.577) 6.168 14.447 ( 0.031 1.348 4.706) 4.895 14.475 ( 5.444 -5.268 -3.137) 8.200 14.705 ( -7.379 2.982 -4.192) 8.995 16.106 ( 1.896 -1.257 1.478) 2.713 16.176 ( 0.168 -1.594 -1.709) 2.344 17.309 ( 6.044 -3.392 -0.739) 6.970 17.541 ( 0.589 0.104 -3.318) 3.371 18.403 ( 6.303 -4.870 0.544) 7.984 18.535 ( -4.818 -6.383 1.380) 8.116 18.838 ( 1.376 8.241 -1.566) 8.501 18.907 ( -4.968 7.074 0.825) 8.684 19.016 ( -1.213 7.062 0.276) 7.170 19.280 ( -0.875 -0.709 -0.603) 1.277 19.473 ( 0.912 4.852 -0.381) 4.952 19.850 ( 3.715 -0.710 2.495) 4.531 20.149 ( -1.464 -2.173 1.557) 3.048 20.572 ( 2.050 -3.199 -4.215) 5.675 20.735 ( 0.268 2.001 -2.969) 3.590 21.203 ( -1.790 -1.959 7.623) 8.072 ======================= Grid point 14 (9/90) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 0.000 34.521 0.000) 34.521 1.767 ( 0.000 35.835 0.000) 35.835 2.544 ( 0.000 42.999 0.000) 42.999 2.729 ( 0.000 1.292 0.000) 1.292 3.285 ( 0.000 3.043 0.000) 3.043 3.305 ( 0.000 21.859 0.000) 21.859 3.471 ( 0.000 16.593 0.000) 16.593 3.669 ( 0.000 -1.601 0.000) 1.601 3.675 ( 0.000 8.333 0.000) 8.333 4.063 ( 0.000 4.502 0.000) 4.502 4.149 ( 0.000 16.437 0.000) 16.437 4.176 ( 0.000 12.031 0.000) 12.031 4.451 ( 0.000 0.604 0.000) 0.604 4.532 ( 0.000 -8.633 0.000) 8.633 4.626 ( 0.000 -0.569 0.000) 0.569 4.851 ( 0.000 6.700 0.000) 6.700 5.507 ( 0.000 3.433 0.000) 3.433 5.805 ( 0.000 -4.726 0.000) 4.726 5.866 ( 0.000 -1.069 0.000) 1.069 5.890 ( 0.000 -7.874 0.000) 7.874 6.030 ( 0.000 -3.401 0.000) 3.401 6.044 ( 0.000 9.839 0.000) 9.839 6.319 ( 0.000 5.682 0.000) 5.682 6.334 ( 0.000 -2.430 0.000) 2.430 6.440 ( 0.000 2.815 0.000) 2.815 6.626 ( 0.000 4.139 0.000) 4.139 6.641 ( 0.000 1.969 0.000) 1.969 6.854 ( 0.000 -8.609 0.000) 8.609 6.955 ( 0.000 -5.937 0.000) 5.937 6.981 ( 0.000 -8.199 0.000) 8.199 7.204 ( 0.000 -5.282 0.000) 5.282 7.255 ( 0.000 -23.700 0.000) 23.700 7.370 ( 0.000 -10.786 0.000) 10.786 7.455 ( 0.000 -4.249 0.000) 4.249 7.572 ( 0.000 -14.089 0.000) 14.089 7.879 ( 0.000 -5.700 0.000) 5.700 7.959 ( 0.000 7.917 0.000) 7.917 8.051 ( 0.000 4.862 0.000) 4.862 8.295 ( 0.000 5.681 0.000) 5.681 8.336 ( 0.000 -8.545 0.000) 8.545 8.546 ( 0.000 -0.574 0.000) 0.574 8.671 ( 0.000 7.101 0.000) 7.101 8.744 ( 0.000 -1.793 0.000) 1.793 8.761 ( 0.000 -7.403 0.000) 7.403 9.167 ( 0.000 -0.776 0.000) 0.776 9.251 ( 0.000 -15.212 0.000) 15.212 9.431 ( 0.000 -10.600 0.000) 10.600 9.563 ( 0.000 9.596 0.000) 9.596 9.800 ( 0.000 -0.053 0.000) 0.053 9.968 ( 0.000 1.212 0.000) 1.212 10.185 ( 0.000 -1.708 0.000) 1.708 10.526 ( 0.000 -8.540 0.000) 8.540 10.859 ( 0.000 9.121 0.000) 9.121 10.963 ( 0.000 -15.685 0.000) 15.685 11.252 ( 0.000 4.552 0.000) 4.552 11.546 ( 0.000 -1.345 0.000) 1.345 11.745 ( 0.000 2.116 0.000) 2.116 12.026 ( 0.000 4.350 0.000) 4.350 12.088 ( 0.000 12.399 0.000) 12.399 12.216 ( 0.000 -0.488 0.000) 0.488 12.315 ( 0.000 -1.930 0.000) 1.930 12.743 ( 0.000 -6.623 0.000) 6.623 13.064 ( 0.000 4.542 0.000) 4.542 13.097 ( 0.000 0.422 0.000) 0.422 14.209 ( 0.000 6.178 0.000) 6.178 14.228 ( 0.000 -7.325 0.000) 7.325 14.434 ( 0.000 -7.370 0.000) 7.370 14.848 ( 0.000 -5.309 0.000) 5.309 16.033 ( 0.000 -4.653 0.000) 4.653 16.074 ( 0.000 -2.335 0.000) 2.335 16.512 ( 0.000 -1.474 0.000) 1.474 16.700 ( 0.000 -5.433 0.000) 5.433 18.130 ( 0.000 8.625 0.000) 8.625 18.724 ( 0.000 -1.109 0.000) 1.109 18.935 ( 0.000 7.245 0.000) 7.245 19.152 ( 0.000 -1.424 0.000) 1.424 19.308 ( 0.000 3.158 0.000) 3.158 19.317 ( 0.000 0.557 0.000) 0.557 19.596 ( 0.000 2.301 0.000) 2.301 19.894 ( 0.000 -2.031 0.000) 2.031 20.200 ( 0.000 11.492 0.000) 11.492 20.389 ( 0.000 0.841 0.000) 0.841 20.620 ( 0.000 -0.334 0.000) 0.334 21.344 ( 0.000 -8.414 0.000) 8.414 ======================= Grid point 15 (10/90) ======================= q-point: ( 0.14 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 27.412 24.032 -6.380) 37.008 1.922 ( 14.427 30.892 -5.019) 34.462 2.734 ( 0.635 3.759 3.268) 5.021 2.810 ( 23.119 36.484 0.761) 43.199 3.105 ( -15.260 9.527 8.518) 19.904 3.325 ( 2.446 23.903 -1.800) 24.096 3.465 ( 0.716 0.577 -2.649) 2.804 3.668 ( 7.383 1.020 -4.782) 8.856 3.736 ( 2.131 12.749 10.058) 16.378 4.125 ( 0.774 18.333 -1.022) 18.378 4.161 ( 3.728 1.616 2.068) 4.559 4.245 ( -12.517 1.851 8.000) 14.970 4.440 ( 5.718 5.202 -0.485) 7.745 4.593 ( -1.165 0.517 -3.315) 3.552 4.682 ( 26.468 4.340 -15.333) 30.895 5.038 ( 9.701 3.887 -4.952) 11.564 5.481 ( -3.802 7.509 0.029) 8.416 5.667 ( -11.606 -1.644 -8.963) 14.755 5.784 ( -0.073 -4.205 -4.573) 6.213 5.862 ( -2.098 -6.837 2.184) 7.478 5.929 ( -7.843 1.794 -0.377) 8.054 6.053 ( -3.089 -1.503 10.036) 10.608 6.216 ( -4.660 2.433 2.699) 5.909 6.402 ( 3.060 -4.591 0.993) 5.606 6.487 ( -2.862 -6.091 6.253) 9.187 6.582 ( -0.462 3.797 2.765) 4.720 6.709 ( 0.398 9.750 -6.755) 11.868 6.808 ( -3.432 -1.467 3.956) 5.439 6.903 ( 0.705 -9.273 5.588) 10.850 7.014 ( -6.384 -7.783 -1.412) 10.165 7.126 ( 0.201 -12.677 4.525) 13.462 7.210 ( -1.647 -14.432 0.878) 14.553 7.399 ( 2.019 -7.972 4.342) 9.299 7.469 ( 0.434 -10.470 -2.947) 10.886 7.672 ( 3.971 -4.252 -3.775) 6.935 7.849 ( -3.362 -0.628 0.658) 3.483 8.021 ( 0.771 -7.965 -10.939) 13.554 8.047 ( 6.922 -0.279 -2.535) 7.377 8.205 ( 0.373 4.849 0.489) 4.887 8.481 ( -4.703 -1.288 -4.801) 6.843 8.563 ( 7.448 -3.894 0.339) 8.411 8.615 ( -1.306 3.687 -3.248) 5.084 8.682 ( -4.573 -7.740 5.683) 10.636 8.842 ( 4.111 0.683 4.503) 6.135 9.045 ( -6.445 1.289 4.909) 8.203 9.268 ( -5.330 -3.687 13.322) 14.815 9.396 ( -3.735 -4.756 -2.982) 6.743 9.513 ( -0.266 -2.618 -0.700) 2.723 9.664 ( -8.751 5.693 -3.470) 11.001 10.012 ( 3.772 -5.024 -0.754) 6.327 10.293 ( 8.303 2.256 0.759) 8.638 10.417 ( -5.003 -3.209 -2.883) 6.606 10.749 ( -10.311 3.883 1.080) 11.071 10.964 ( 0.430 -5.160 -4.995) 7.195 11.213 ( -0.863 7.020 -3.143) 7.739 11.480 ( -13.995 -3.204 2.947) 14.656 11.797 ( 7.871 -5.074 3.617) 10.039 11.996 ( -3.975 8.873 2.393) 10.012 12.143 ( 1.131 -3.899 -4.614) 6.146 12.213 ( -3.830 -0.034 -5.314) 6.551 12.295 ( 4.846 1.606 -3.824) 6.379 12.750 ( -2.765 -5.338 4.635) 7.591 12.887 ( -7.231 7.081 -2.368) 10.394 13.138 ( 0.508 0.217 3.463) 3.507 14.212 ( -1.097 0.939 3.208) 3.518 14.265 ( 2.274 -7.308 -6.506) 10.045 14.336 ( -2.536 1.651 1.664) 3.453 14.905 ( 1.051 -6.369 0.569) 6.481 15.999 ( -0.924 -2.323 1.150) 2.752 16.076 ( 1.139 -2.731 -1.402) 3.274 16.681 ( 13.631 -3.611 -1.575) 14.189 16.969 ( 19.472 -11.387 -2.100) 22.655 18.157 ( 2.430 7.170 0.338) 7.578 18.696 ( -2.637 -0.569 0.439) 2.733 18.937 ( 0.272 6.764 1.819) 7.010 19.116 ( -3.637 -2.028 3.024) 5.146 19.290 ( 0.386 2.247 1.824) 2.920 19.350 ( 0.258 1.923 -3.888) 4.346 19.574 ( -1.290 4.600 -0.566) 4.811 19.812 ( -3.940 4.786 -9.019) 10.944 20.197 ( -0.941 4.298 8.162) 9.272 20.443 ( 2.743 -0.300 -4.717) 5.465 20.664 ( 4.246 0.519 -3.814) 5.732 21.271 ( -6.221 -6.680 12.016) 15.090 ======================= Grid point 16 (11/90) ======================= q-point: ( 0.29 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 22.309 17.579 0.991) 28.420 2.309 ( 20.297 14.445 -8.779) 26.414 2.755 ( -1.971 11.350 -10.410) 15.527 2.891 ( 0.075 16.158 18.149) 24.299 3.333 ( 4.386 25.299 1.253) 25.707 3.336 ( 12.273 10.240 -3.784) 16.426 3.500 ( 1.499 4.683 -4.609) 6.740 3.702 ( -3.348 7.115 7.439) 10.824 3.872 ( 10.532 -0.706 -1.912) 10.728 4.084 ( 2.026 6.752 -1.838) 7.285 4.163 ( 1.479 19.758 -4.446) 20.306 4.296 ( 5.719 8.019 7.619) 12.453 4.500 ( -4.761 1.158 2.707) 5.598 4.653 ( 15.417 8.901 0.614) 17.813 5.120 ( 1.815 5.743 -13.363) 14.657 5.285 ( 11.083 8.695 -1.531) 14.170 5.358 ( 6.382 2.765 -4.510) 8.290 5.472 ( -6.057 -4.315 -6.142) 9.645 5.673 ( -6.629 1.739 1.057) 6.934 5.822 ( 0.871 -2.325 0.656) 2.569 5.890 ( -2.545 -3.123 -3.416) 5.282 6.000 ( -4.093 -6.478 6.910) 10.318 6.175 ( 4.701 -4.297 4.595) 7.854 6.316 ( -10.231 -3.081 7.256) 12.916 6.406 ( -4.113 -3.131 4.794) 7.050 6.516 ( -10.298 0.972 7.335) 12.681 6.622 ( -3.353 -1.371 -2.656) 4.492 6.803 ( 0.448 -1.928 -4.800) 5.192 6.869 ( -0.387 -12.824 3.614) 13.329 6.997 ( -8.397 -6.613 3.881) 11.371 7.039 ( 3.088 -5.102 1.963) 6.279 7.246 ( 3.105 1.011 -0.781) 3.357 7.383 ( -7.878 -8.690 0.036) 11.729 7.509 ( 4.560 -6.116 2.414) 8.002 7.694 ( 0.822 -6.435 0.899) 6.549 7.756 ( -4.961 -10.002 -0.810) 11.194 8.015 ( -7.872 -3.988 -1.351) 8.928 8.138 ( 2.795 -3.583 -16.564) 17.176 8.207 ( 3.957 1.067 -11.710) 12.406 8.448 ( 1.466 5.104 0.061) 5.310 8.520 ( -2.262 -0.692 0.305) 2.385 8.614 ( 0.859 -8.225 -1.319) 8.375 8.704 ( -0.666 -0.644 4.332) 4.430 8.897 ( -0.733 2.614 4.044) 4.871 9.040 ( 6.765 -2.375 11.530) 13.577 9.103 ( -7.941 5.662 4.387) 10.694 9.341 ( -7.180 -4.828 -0.715) 8.682 9.394 ( -2.180 -0.405 -3.608) 4.235 9.622 ( -0.733 0.715 6.120) 6.205 10.119 ( 6.303 -5.763 -1.036) 8.603 10.347 ( -1.023 1.184 -0.527) 1.651 10.450 ( 5.537 5.322 -2.669) 8.130 10.633 ( -1.453 -3.613 0.411) 3.916 10.875 ( -4.221 5.503 -0.069) 6.936 11.198 ( -5.145 -3.383 -2.864) 6.791 11.245 ( -3.993 0.004 -2.512) 4.717 11.761 ( -7.988 2.666 3.606) 9.161 11.891 ( -8.900 1.919 0.962) 9.155 12.057 ( -4.124 -3.104 -3.058) 6.000 12.175 ( -1.703 0.159 -1.097) 2.032 12.379 ( 0.121 -0.862 -7.387) 7.438 12.688 ( 1.453 -9.378 1.349) 9.585 12.829 ( -0.730 7.837 3.250) 8.515 13.165 ( 1.162 -0.023 2.378) 2.646 14.157 ( -1.695 -6.726 0.097) 6.937 14.292 ( 2.047 -4.695 -6.555) 8.319 14.419 ( 5.974 4.842 8.490) 11.456 14.855 ( -4.868 -3.641 -2.938) 6.752 16.023 ( 2.593 -1.040 1.351) 3.104 16.115 ( 2.041 -2.702 -1.811) 3.840 16.981 ( 13.638 -5.417 -1.537) 14.755 17.320 ( 12.637 -11.158 -3.082) 17.137 18.225 ( 3.737 2.993 0.956) 4.882 18.623 ( -4.073 0.715 0.013) 4.136 18.951 ( 0.646 6.106 1.437) 6.306 19.046 ( -2.624 -1.278 3.377) 4.464 19.231 ( -5.060 5.636 -1.515) 7.724 19.372 ( 1.220 2.771 0.020) 3.028 19.546 ( -1.131 5.660 -3.190) 6.595 19.795 ( 3.107 4.638 -3.082) 6.377 20.163 ( -3.412 0.125 6.175) 7.056 20.476 ( 1.857 -2.046 -7.817) 8.291 20.745 ( 3.083 1.420 -3.982) 5.233 21.175 ( -3.924 -5.203 13.658) 15.133 ======================= Grid point 17 (12/90) ======================= q-point: ( 0.43 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( 1.665 4.132 -2.073) 4.913 2.625 ( 14.355 17.066 5.984) 23.089 2.736 ( 3.797 9.122 -7.688) 12.519 3.062 ( 3.101 13.907 4.810) 15.039 3.144 ( -5.459 15.506 4.587) 17.067 3.382 ( -6.766 7.873 -2.900) 10.778 3.659 ( 10.090 15.495 -10.936) 21.483 3.745 ( 0.142 10.293 5.207) 11.537 4.094 ( 11.282 13.475 3.188) 17.861 4.145 ( 2.248 13.343 -3.484) 13.972 4.236 ( 4.165 12.436 -6.295) 14.547 4.368 ( -0.958 6.453 8.545) 10.751 4.388 ( -5.035 1.269 -4.202) 6.680 4.957 ( 2.165 -6.807 3.444) 7.930 5.050 ( -1.369 0.337 0.175) 1.421 5.257 ( 6.222 9.055 4.899) 12.029 5.388 ( 1.075 -4.184 -5.928) 7.335 5.558 ( -14.563 5.874 0.517) 15.711 5.661 ( 8.448 2.525 -5.048) 10.160 5.816 ( 9.261 -5.230 -5.563) 12.003 5.951 ( 2.147 1.366 0.743) 2.651 6.027 ( 4.565 -4.237 4.447) 7.653 6.126 ( -8.726 5.101 -0.066) 10.108 6.207 ( -5.650 -0.851 8.029) 9.854 6.323 ( 3.861 -0.580 4.144) 5.694 6.381 ( -1.001 -6.412 0.721) 6.530 6.634 ( 3.419 -8.928 -2.669) 9.926 6.668 ( -12.757 -11.702 1.352) 17.364 6.771 ( -7.393 -2.308 -0.334) 7.752 6.951 ( 1.888 -2.954 -0.559) 3.550 7.081 ( -1.000 -8.359 2.120) 8.682 7.233 ( -2.333 -8.740 1.348) 9.146 7.330 ( 4.845 9.670 -0.739) 10.842 7.572 ( 1.083 -7.193 -6.474) 9.738 7.633 ( -4.401 -14.423 2.490) 15.284 7.657 ( -5.800 -7.492 2.729) 9.860 7.955 ( 3.115 -2.245 -0.217) 3.846 8.033 ( -4.453 0.157 -4.417) 6.274 8.362 ( 3.126 -1.519 -9.889) 10.482 8.445 ( -1.566 3.240 0.927) 3.716 8.488 ( 2.851 -3.713 -3.763) 6.006 8.669 ( 1.557 -1.767 3.457) 4.183 8.677 ( -0.854 -1.603 0.697) 1.946 8.861 ( -0.674 5.315 2.735) 6.015 8.984 ( -4.364 12.205 -0.110) 12.962 9.177 ( -4.393 -3.583 -1.701) 5.918 9.276 ( 11.189 -5.946 10.175) 16.251 9.403 ( 0.523 -5.151 1.586) 5.415 9.518 ( -9.034 -5.210 -1.720) 10.570 10.237 ( 3.781 -3.494 -0.497) 5.172 10.377 ( 2.324 0.366 1.157) 2.621 10.525 ( 1.758 3.366 -1.277) 4.007 10.610 ( -0.575 -1.215 -0.590) 1.468 10.858 ( 0.984 6.851 0.833) 6.971 11.116 ( -0.978 -3.091 -1.322) 3.501 11.192 ( -1.774 -0.781 -1.150) 2.254 11.598 ( -6.040 2.776 1.822) 6.893 11.705 ( -6.121 0.111 -1.134) 6.226 11.982 ( -2.114 3.783 -1.124) 4.477 12.127 ( -1.879 -2.305 -0.256) 2.985 12.345 ( -0.939 1.856 -1.761) 2.725 12.747 ( 1.826 -17.714 -0.504) 17.815 12.836 ( 0.561 11.348 1.918) 11.523 13.179 ( 0.135 -0.615 0.631) 0.891 14.151 ( 0.248 -8.557 -0.166) 8.562 14.334 ( 2.003 -7.850 -2.347) 8.435 14.552 ( 5.288 4.806 6.660) 9.768 14.728 ( -5.825 -0.271 -4.376) 7.291 16.081 ( 2.055 -0.947 1.125) 2.527 16.136 ( 0.215 -2.043 -1.427) 2.501 17.195 ( 5.859 -6.357 -0.650) 8.670 17.480 ( 3.450 -6.511 -1.213) 7.468 18.300 ( 2.644 -2.522 0.866) 3.755 18.543 ( -2.810 3.341 -0.519) 4.396 18.966 ( 0.784 5.151 0.477) 5.232 19.013 ( -1.403 1.889 1.392) 2.733 19.153 ( -1.531 6.081 -0.350) 6.280 19.355 ( -1.670 7.003 -1.152) 7.291 19.544 ( 0.644 1.741 -0.517) 1.927 19.881 ( 3.740 4.352 -0.468) 5.757 20.087 ( -3.413 -3.364 2.233) 5.287 20.502 ( 1.083 -3.543 -3.592) 5.161 20.778 ( 0.719 2.256 -1.554) 2.833 21.140 ( -0.954 -4.047 5.550) 6.935 ======================= Grid point 21 (13/90) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 0.000 33.903 0.000) 33.903 2.386 ( 0.000 23.614 0.000) 23.614 2.753 ( 0.000 0.614 0.000) 0.614 3.033 ( 0.000 2.703 0.000) 2.703 3.261 ( 0.000 -3.813 0.000) 3.813 3.315 ( 0.000 -11.523 0.000) 11.523 3.736 ( 0.000 12.709 0.000) 12.709 3.883 ( 0.000 17.084 0.000) 17.084 3.994 ( 0.000 16.002 0.000) 16.002 4.207 ( 0.000 8.475 0.000) 8.475 4.326 ( 0.000 -8.337 0.000) 8.337 4.423 ( 0.000 -4.528 0.000) 4.528 4.446 ( 0.000 2.940 0.000) 2.940 4.479 ( 0.000 14.474 0.000) 14.474 4.948 ( 0.000 31.335 0.000) 31.335 5.031 ( 0.000 10.582 0.000) 10.582 5.529 ( 0.000 3.304 0.000) 3.304 5.693 ( 0.000 1.669 0.000) 1.669 5.703 ( 0.000 -11.668 0.000) 11.668 5.884 ( 0.000 -9.587 0.000) 9.587 5.966 ( 0.000 2.631 0.000) 2.631 6.073 ( 0.000 -16.156 0.000) 16.156 6.271 ( 0.000 4.391 0.000) 4.391 6.402 ( 0.000 -4.939 0.000) 4.939 6.428 ( 0.000 6.020 0.000) 6.020 6.633 ( 0.000 -12.648 0.000) 12.648 6.654 ( 0.000 -1.956 0.000) 1.956 6.824 ( 0.000 3.973 0.000) 3.973 6.875 ( 0.000 7.102 0.000) 7.102 6.922 ( 0.000 -4.800 0.000) 4.800 6.930 ( 0.000 2.893 0.000) 2.893 7.004 ( 0.000 -11.474 0.000) 11.474 7.246 ( 0.000 -4.199 0.000) 4.199 7.291 ( 0.000 -10.449 0.000) 10.449 7.398 ( 0.000 -3.001 0.000) 3.001 7.647 ( 0.000 -15.823 0.000) 15.823 8.013 ( 0.000 -1.333 0.000) 1.333 8.062 ( 0.000 -2.117 0.000) 2.117 8.245 ( 0.000 2.420 0.000) 2.420 8.349 ( 0.000 -3.356 0.000) 3.356 8.490 ( 0.000 -15.030 0.000) 15.030 8.514 ( 0.000 -0.860 0.000) 0.860 8.716 ( 0.000 -0.436 0.000) 0.436 8.913 ( 0.000 0.777 0.000) 0.777 9.054 ( 0.000 8.038 0.000) 8.038 9.219 ( 0.000 2.756 0.000) 2.756 9.316 ( 0.000 1.895 0.000) 1.895 9.561 ( 0.000 -7.988 0.000) 7.988 9.929 ( 0.000 8.747 0.000) 8.747 10.028 ( 0.000 4.220 0.000) 4.220 10.261 ( 0.000 8.851 0.000) 8.851 10.332 ( 0.000 -8.615 0.000) 8.615 10.501 ( 0.000 -21.381 0.000) 21.381 10.902 ( 0.000 -12.237 0.000) 12.237 11.347 ( 0.000 8.520 0.000) 8.520 11.515 ( 0.000 -0.894 0.000) 0.894 11.924 ( 0.000 11.047 0.000) 11.047 12.140 ( 0.000 4.507 0.000) 4.507 12.206 ( 0.000 0.185 0.000) 0.185 12.261 ( 0.000 -1.421 0.000) 1.421 12.291 ( 0.000 5.625 0.000) 5.625 12.590 ( 0.000 -7.971 0.000) 7.971 13.118 ( 0.000 1.547 0.000) 1.547 13.137 ( 0.000 2.151 0.000) 2.151 14.116 ( 0.000 -2.785 0.000) 2.785 14.233 ( 0.000 -5.682 0.000) 5.682 14.393 ( 0.000 5.714 0.000) 5.714 14.710 ( 0.000 -7.753 0.000) 7.753 15.968 ( 0.000 -1.524 0.000) 1.524 16.018 ( 0.000 -2.872 0.000) 2.872 16.495 ( 0.000 0.065 0.000) 0.065 16.593 ( 0.000 -4.579 0.000) 4.579 18.320 ( 0.000 9.588 0.000) 9.588 18.661 ( 0.000 -5.251 0.000) 5.251 19.050 ( 0.000 3.739 0.000) 3.739 19.120 ( 0.000 -1.308 0.000) 1.308 19.336 ( 0.000 1.155 0.000) 1.155 19.352 ( 0.000 1.095 0.000) 1.095 19.666 ( 0.000 4.373 0.000) 4.373 19.841 ( 0.000 -3.185 0.000) 3.185 20.406 ( 0.000 6.009 0.000) 6.009 20.414 ( 0.000 1.473 0.000) 1.473 20.667 ( 0.000 6.792 0.000) 6.792 21.139 ( 0.000 -11.280 0.000) 11.280 ======================= Grid point 22 (14/90) ======================= q-point: ( 0.14 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( 12.912 25.112 -4.251) 28.555 2.435 ( 5.220 17.575 -1.533) 18.398 2.840 ( 8.687 6.562 -0.375) 10.893 3.176 ( 8.606 -1.418 3.491) 9.395 3.318 ( 4.979 3.404 -0.282) 6.038 3.361 ( -0.002 -2.950 2.141) 3.645 3.565 ( 0.876 3.095 -2.380) 4.001 3.846 ( -6.999 10.267 3.684) 12.960 4.043 ( 0.567 16.501 3.293) 16.835 4.192 ( -1.434 1.753 0.379) 2.297 4.273 ( -0.063 2.379 -2.290) 3.303 4.442 ( 4.722 7.666 1.755) 9.173 4.583 ( 10.301 9.188 -9.652) 16.844 4.727 ( 12.872 6.930 -1.734) 14.721 4.937 ( 5.829 19.046 -16.861) 26.096 5.182 ( 9.132 8.287 3.156) 12.729 5.497 ( -2.321 -0.886 -5.187) 5.751 5.623 ( -1.201 -6.843 2.078) 7.252 5.728 ( -3.942 5.989 -0.308) 7.177 5.856 ( -4.373 7.576 9.173) 12.675 5.940 ( 0.621 -13.804 5.632) 14.922 6.078 ( -6.554 1.751 -5.753) 8.895 6.166 ( 1.099 -5.321 5.643) 7.834 6.232 ( -9.184 0.375 9.975) 13.564 6.413 ( -8.238 1.330 0.367) 8.352 6.504 ( -7.293 -13.392 3.013) 15.544 6.712 ( -6.342 -10.734 3.125) 12.854 6.750 ( -7.868 -10.243 -3.887) 13.488 6.847 ( 1.343 0.561 -0.207) 1.470 6.899 ( 4.047 5.663 0.483) 6.977 6.960 ( -2.709 -2.834 4.049) 5.636 7.140 ( 13.439 8.393 -2.273) 16.007 7.229 ( 2.566 -10.481 -4.249) 11.597 7.318 ( 2.115 -3.486 1.848) 4.477 7.537 ( 5.324 -7.883 5.894) 11.190 7.679 ( -3.162 -10.525 -0.394) 10.997 7.906 ( -3.147 -1.798 -7.607) 8.426 8.029 ( 7.023 -5.438 -7.224) 11.449 8.208 ( -8.904 -2.821 -5.386) 10.782 8.335 ( -7.951 -11.509 -4.217) 14.610 8.473 ( 2.691 -4.682 4.585) 7.084 8.572 ( 6.558 0.802 4.973) 8.269 8.708 ( -0.439 3.714 0.958) 3.860 8.899 ( -1.615 -2.556 1.638) 3.439 9.129 ( 1.643 9.693 7.132) 12.146 9.185 ( -0.346 -0.998 4.846) 4.960 9.344 ( -1.481 2.834 -1.500) 3.532 9.544 ( 1.626 -2.063 5.799) 6.366 9.812 ( -8.487 7.830 -1.073) 11.597 9.984 ( -2.066 4.737 -6.860) 8.589 10.263 ( -1.030 -9.771 -1.717) 9.974 10.383 ( 8.273 6.451 0.401) 10.498 10.576 ( 0.351 -14.739 -8.062) 16.804 10.858 ( -1.829 -10.820 0.212) 10.975 11.291 ( -4.370 5.208 2.147) 7.129 11.462 ( -9.085 -1.887 4.011) 10.109 11.798 ( -3.130 5.813 -0.964) 6.672 12.040 ( -8.704 -5.026 -0.855) 10.087 12.197 ( -3.475 9.183 -0.683) 9.843 12.256 ( 0.402 2.822 -5.203) 5.933 12.328 ( 2.248 1.072 -4.488) 5.133 12.622 ( -0.825 -7.319 5.257) 9.049 13.024 ( -3.885 5.884 -0.604) 7.077 13.145 ( -0.150 -0.009 1.560) 1.567 14.134 ( -0.676 -2.993 -2.685) 4.077 14.194 ( -1.377 -3.407 -2.311) 4.341 14.423 ( 2.947 6.108 4.355) 8.059 14.744 ( 1.581 -8.635 2.645) 9.169 15.967 ( 0.793 -0.590 0.460) 1.090 16.020 ( 1.017 -2.569 -0.513) 2.810 16.634 ( 11.709 -0.610 -0.560) 11.739 16.777 ( 14.656 -7.424 0.190) 16.430 18.326 ( 0.478 8.840 -0.404) 8.862 18.645 ( -1.508 -4.756 -0.926) 5.075 19.041 ( -0.655 3.082 2.648) 4.116 19.085 ( -2.846 -0.673 2.929) 4.139 19.335 ( 0.879 2.025 -0.001) 2.208 19.375 ( 0.316 0.400 -2.584) 2.634 19.674 ( 0.908 5.007 -1.780) 5.391 19.835 ( -0.021 -1.677 -6.097) 6.324 20.333 ( -4.623 6.611 2.837) 8.551 20.436 ( 0.298 -0.355 -3.799) 3.827 20.715 ( 3.795 5.250 0.432) 6.492 21.098 ( -3.631 -9.803 6.966) 12.563 ======================= Grid point 23 (15/90) ======================= q-point: ( 0.29 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( 10.159 9.820 -5.479) 15.154 2.614 ( 10.928 9.239 6.101) 15.557 3.017 ( -0.716 12.541 -8.971) 15.436 3.223 ( 11.392 13.710 6.509) 18.977 3.374 ( -6.151 2.298 5.078) 8.301 3.464 ( 5.749 -3.927 0.722) 6.999 3.770 ( 10.997 -1.061 -1.418) 11.138 3.827 ( 11.752 0.214 -5.543) 12.995 4.071 ( 5.413 22.583 -3.350) 23.463 4.181 ( 0.141 3.495 -2.805) 4.484 4.335 ( 5.673 4.672 0.772) 7.389 4.529 ( 1.649 9.804 3.934) 10.692 4.751 ( -1.606 18.192 -4.834) 18.892 4.831 ( 9.110 15.995 1.769) 18.492 5.174 ( 7.047 -1.247 -18.591) 19.921 5.311 ( 4.376 -4.031 -5.051) 7.805 5.465 ( -2.505 1.227 -0.829) 2.910 5.537 ( -6.085 -3.543 11.500) 13.485 5.669 ( 0.140 0.025 -5.975) 5.976 5.783 ( -9.116 4.656 1.195) 10.306 5.917 ( 5.054 8.303 16.096) 18.803 5.936 ( -2.443 -4.575 -0.332) 5.197 6.139 ( -2.589 -1.180 4.780) 5.563 6.240 ( -0.062 -1.136 -0.255) 1.166 6.248 ( -2.872 -5.706 4.127) 7.605 6.359 ( -10.474 -10.284 3.144) 15.011 6.547 ( -2.877 -12.074 0.447) 12.420 6.610 ( -8.243 -8.392 -7.005) 13.691 6.721 ( -1.531 -2.714 1.826) 3.611 6.963 ( -1.206 -2.426 8.386) 8.813 7.030 ( -0.397 6.822 3.374) 7.621 7.168 ( -4.454 -7.891 -0.010) 9.061 7.295 ( -1.189 -2.857 -3.322) 4.540 7.434 ( -3.743 -4.347 -3.419) 6.678 7.482 ( 3.247 -1.059 1.649) 3.792 7.702 ( 9.718 -1.839 -0.159) 9.892 7.954 ( -9.952 -1.696 -0.407) 10.104 8.036 ( 8.523 -5.855 -5.018) 11.493 8.119 ( -6.069 -8.923 -5.968) 12.332 8.304 ( 13.707 -12.432 -2.511) 18.674 8.485 ( -0.915 1.368 0.089) 1.648 8.680 ( -1.226 8.233 7.181) 10.993 8.703 ( 1.095 -1.335 -0.069) 1.728 8.852 ( -2.543 -4.612 1.723) 5.541 9.020 ( -7.628 0.690 4.378) 8.822 9.230 ( -0.946 -3.528 1.375) 3.903 9.345 ( 4.255 12.519 0.798) 13.247 9.568 ( -5.908 12.562 0.383) 13.888 9.614 ( -7.316 -0.641 3.310) 8.055 10.012 ( 5.085 -4.134 -5.677) 8.670 10.267 ( 1.498 -6.161 -3.314) 7.154 10.508 ( -2.208 -8.206 -4.046) 9.412 10.552 ( 5.887 4.288 0.478) 7.298 10.850 ( 0.573 -8.117 -0.092) 8.138 11.163 ( -7.162 2.662 1.307) 7.752 11.261 ( -6.389 -0.392 -0.098) 6.402 11.769 ( -5.370 -0.166 5.731) 7.855 11.903 ( -0.375 -6.621 -4.256) 7.880 12.051 ( -9.709 8.976 -3.844) 13.770 12.211 ( -4.535 2.082 -2.921) 5.782 12.360 ( 1.385 -0.554 -4.023) 4.290 12.529 ( -5.851 -6.833 4.569) 10.089 13.013 ( 1.589 8.005 1.223) 8.252 13.168 ( 1.512 -0.185 1.692) 2.277 14.066 ( -3.133 -1.468 -1.465) 3.757 14.189 ( -0.218 -5.109 -4.200) 6.617 14.522 ( 5.165 4.994 6.157) 9.462 14.750 ( -1.154 -5.925 0.347) 6.046 16.013 ( 3.020 0.030 0.548) 3.070 16.062 ( 2.456 -2.258 -0.613) 3.392 16.905 ( 12.606 -1.328 -0.479) 12.685 17.094 ( 13.732 -9.796 0.034) 16.868 18.333 ( 0.140 6.848 0.193) 6.853 18.600 ( -2.391 -3.628 -1.403) 4.566 19.038 ( -0.337 1.266 4.027) 4.234 19.046 ( -0.532 2.190 1.964) 2.989 19.315 ( -2.767 3.048 -2.542) 4.838 19.392 ( 1.866 -0.493 -0.156) 1.937 19.676 ( -1.233 6.290 -3.304) 7.211 19.848 ( 2.660 -0.502 -5.734) 6.341 20.226 ( -6.009 5.716 3.981) 9.199 20.427 ( -0.326 -2.830 -5.182) 5.914 20.793 ( 3.111 3.618 -0.025) 4.772 21.045 ( -1.759 -7.079 8.639) 11.306 ======================= Grid point 24 (16/90) ======================= q-point: ( 0.43 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( 4.938 4.769 -1.854) 7.111 2.830 ( 6.914 0.525 7.622) 10.303 2.948 ( -1.507 12.158 -6.218) 13.739 3.187 ( -7.874 5.800 4.884) 10.932 3.500 ( 7.976 11.441 -4.612) 14.690 3.527 ( 0.739 5.159 1.082) 5.323 3.967 ( 8.399 6.804 2.394) 11.071 4.067 ( 4.170 7.613 -6.433) 10.804 4.217 ( 6.433 2.866 -6.748) 9.754 4.324 ( 15.586 17.758 -5.124) 24.177 4.412 ( -1.841 2.418 7.271) 7.880 4.525 ( -0.487 14.033 1.210) 14.093 4.683 ( -2.249 11.279 2.216) 11.713 4.935 ( -9.699 14.431 2.295) 17.539 5.064 ( -0.419 -1.071 -8.233) 8.313 5.231 ( -5.484 -5.919 5.154) 9.574 5.468 ( 3.064 6.685 4.919) 8.847 5.587 ( 3.565 -6.567 -11.596) 13.795 5.627 ( -7.455 -1.215 3.406) 8.286 5.809 ( 0.565 1.866 0.197) 1.960 5.859 ( 12.054 -1.777 -0.844) 12.214 5.949 ( -5.785 -8.134 7.068) 12.231 6.135 ( -4.209 -6.732 -0.303) 7.945 6.174 ( -0.772 -9.486 2.765) 9.911 6.221 ( -3.741 -2.555 -2.527) 5.188 6.329 ( 5.174 -6.892 2.355) 8.934 6.413 ( -5.835 -7.549 -0.892) 9.583 6.563 ( 6.806 1.343 -3.996) 8.006 6.730 ( -7.005 -7.487 3.073) 10.704 6.881 ( -0.894 -5.076 -1.332) 5.323 6.993 ( -1.581 12.532 2.991) 12.981 7.052 ( -6.670 -4.935 2.848) 8.772 7.231 ( -0.544 -12.167 0.544) 12.191 7.410 ( 3.247 1.369 0.180) 3.528 7.511 ( -3.721 -2.652 -2.540) 5.228 7.818 ( -2.013 -8.119 1.229) 8.455 7.921 ( 7.352 16.332 1.161) 17.948 7.997 ( -1.798 -1.643 -2.065) 3.193 8.229 ( 5.698 -10.750 -2.190) 12.362 8.466 ( 0.804 3.978 -6.212) 7.420 8.534 ( 1.553 0.734 4.800) 5.099 8.607 ( -2.798 -0.530 1.281) 3.123 8.702 ( -0.534 2.624 0.325) 2.698 8.862 ( -1.685 -2.938 2.726) 4.347 8.895 ( 4.368 -12.174 -3.508) 13.401 9.209 ( -3.745 -10.316 6.066) 12.539 9.386 ( -5.164 6.553 0.233) 8.347 9.422 ( -0.223 10.991 -3.721) 11.606 9.471 ( -4.703 9.575 0.930) 10.708 10.123 ( 4.183 -7.819 -1.332) 8.967 10.310 ( 2.255 -5.016 -2.768) 6.157 10.455 ( -2.928 -7.094 -0.123) 7.676 10.639 ( 2.468 3.011 0.821) 3.979 10.892 ( 2.624 -5.765 1.562) 6.524 11.084 ( -1.216 3.192 0.424) 3.442 11.186 ( -1.338 -0.186 -1.355) 1.913 11.667 ( -0.763 4.398 3.110) 5.441 11.811 ( -10.546 8.156 -3.196) 13.709 11.965 ( 4.179 -6.596 -0.371) 7.817 12.078 ( -6.544 -1.999 -2.419) 7.258 12.377 ( 0.564 0.965 -1.445) 1.827 12.464 ( -1.155 -8.167 2.584) 8.644 13.049 ( 1.143 8.303 0.676) 8.409 13.185 ( 0.036 0.326 0.435) 0.544 14.032 ( -0.336 -2.542 -0.314) 2.584 14.171 ( -0.657 -7.426 -1.897) 7.692 14.628 ( 3.881 2.803 4.334) 6.458 14.709 ( -2.404 -1.378 -2.004) 3.420 16.069 ( 1.791 -0.173 0.407) 1.845 16.098 ( 0.828 -1.571 -0.534) 1.855 17.103 ( 5.333 -1.695 -0.167) 5.598 17.300 ( 5.243 -9.495 0.008) 10.847 18.333 ( -0.084 4.857 0.463) 4.880 18.557 ( -1.215 -2.584 -0.825) 2.972 19.042 ( 0.380 1.911 1.396) 2.397 19.050 ( 0.076 2.378 1.070) 2.608 19.261 ( -1.415 4.693 -1.237) 5.056 19.423 ( 0.787 -1.776 0.193) 1.952 19.630 ( -1.689 7.664 -1.796) 8.051 19.923 ( 4.088 -3.901 -2.937) 6.368 20.104 ( -5.201 7.490 2.487) 9.452 20.417 ( -0.119 -5.083 -2.061) 5.486 20.837 ( 1.069 3.655 -0.002) 3.808 21.041 ( 0.047 -5.364 3.503) 6.406 ======================= Grid point 28 (17/90) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( 0.000 -19.242 0.000) 19.242 2.649 ( 0.000 19.242 0.000) 19.242 2.751 ( 0.000 -16.927 0.000) 16.927 2.751 ( 0.000 16.927 0.000) 16.927 3.202 ( 0.000 -0.287 0.000) 0.287 3.202 ( 0.000 0.287 0.000) 0.287 4.022 ( 0.000 -13.920 0.000) 13.920 4.022 ( 0.000 13.920 0.000) 13.920 4.198 ( 0.000 -5.548 0.000) 5.548 4.198 ( 0.000 5.548 0.000) 5.548 4.265 ( 0.000 -0.276 0.000) 0.276 4.265 ( 0.000 0.276 0.000) 0.276 4.632 ( 0.000 -4.229 0.000) 4.229 4.632 ( 0.000 4.229 0.000) 4.229 5.236 ( 0.000 -2.583 0.000) 2.583 5.236 ( 0.000 2.583 0.000) 2.583 5.499 ( 0.000 -4.940 0.000) 4.940 5.499 ( 0.000 4.940 0.000) 4.940 5.847 ( 0.000 -10.757 0.000) 10.757 5.847 ( 0.000 10.757 0.000) 10.757 5.981 ( 0.000 -15.808 0.000) 15.808 5.981 ( 0.000 15.808 0.000) 15.808 6.194 ( 0.000 -15.831 0.000) 15.831 6.194 ( 0.000 15.831 0.000) 15.831 6.556 ( 0.000 -5.021 0.000) 5.021 6.556 ( 0.000 5.021 0.000) 5.021 6.700 ( 0.000 -13.768 0.000) 13.768 6.700 ( 0.000 13.768 0.000) 13.768 6.847 ( 0.000 -0.583 0.000) 0.583 6.847 ( 0.000 0.583 0.000) 0.583 7.044 ( 0.000 -1.457 0.000) 1.457 7.044 ( 0.000 1.457 0.000) 1.457 7.217 ( 0.000 -1.014 0.000) 1.014 7.217 ( 0.000 1.014 0.000) 1.014 7.352 ( 0.000 -5.760 0.000) 5.760 7.352 ( 0.000 5.760 0.000) 5.760 8.018 ( 0.000 -1.916 0.000) 1.916 8.018 ( 0.000 1.916 0.000) 1.916 8.288 ( 0.000 -2.087 0.000) 2.087 8.288 ( 0.000 2.087 0.000) 2.087 8.394 ( 0.000 -9.382 0.000) 9.382 8.394 ( 0.000 9.382 0.000) 9.382 8.792 ( 0.000 -6.408 0.000) 6.408 8.792 ( 0.000 6.408 0.000) 6.408 9.288 ( 0.000 -2.072 0.000) 2.072 9.288 ( 0.000 2.072 0.000) 2.072 9.377 ( 0.000 -5.293 0.000) 5.293 9.377 ( 0.000 5.293 0.000) 5.293 10.111 ( 0.000 -5.864 0.000) 5.864 10.111 ( 0.000 5.864 0.000) 5.864 10.157 ( 0.000 -0.179 0.000) 0.179 10.157 ( 0.000 0.179 0.000) 0.179 10.572 ( 0.000 -17.182 0.000) 17.182 10.572 ( 0.000 17.182 0.000) 17.182 11.482 ( 0.000 -3.475 0.000) 3.475 11.482 ( 0.000 3.475 0.000) 3.475 12.115 ( 0.000 -6.626 0.000) 6.626 12.115 ( 0.000 6.626 0.000) 6.626 12.228 ( 0.000 -1.325 0.000) 1.325 12.228 ( 0.000 1.325 0.000) 1.325 12.427 ( 0.000 -7.483 0.000) 7.483 12.427 ( 0.000 7.483 0.000) 7.483 13.148 ( 0.000 -0.845 0.000) 0.845 13.148 ( 0.000 0.845 0.000) 0.845 14.125 ( 0.000 -3.444 0.000) 3.444 14.125 ( 0.000 3.444 0.000) 3.444 14.544 ( 0.000 -8.054 0.000) 8.054 14.544 ( 0.000 8.054 0.000) 8.054 15.969 ( 0.000 -1.466 0.000) 1.466 15.969 ( 0.000 1.466 0.000) 1.466 16.520 ( 0.000 -2.415 0.000) 2.415 16.520 ( 0.000 2.415 0.000) 2.415 18.513 ( 0.000 -8.720 0.000) 8.720 18.513 ( 0.000 8.720 0.000) 8.720 19.097 ( 0.000 -1.243 0.000) 1.243 19.097 ( 0.000 1.243 0.000) 1.243 19.356 ( 0.000 -0.582 0.000) 0.582 19.356 ( 0.000 0.582 0.000) 0.582 19.762 ( 0.000 -4.472 0.000) 4.472 19.762 ( 0.000 4.472 0.000) 4.472 20.441 ( 0.000 -0.795 0.000) 0.795 20.441 ( 0.000 0.795 0.000) 0.795 20.889 ( 0.000 -12.575 0.000) 12.575 20.889 ( 0.000 12.575 0.000) 12.575 ======================= Grid point 30 (18/90) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( -1.001 -7.080 0.071) 7.151 2.578 ( -1.001 7.080 0.071) 7.151 2.983 ( 15.741 -9.808 -5.278) 19.283 2.983 ( 15.741 9.808 -5.278) 19.283 3.313 ( 8.905 -3.968 3.703) 10.428 3.313 ( 8.905 3.968 3.703) 10.428 3.777 ( -12.389 -11.776 6.376) 18.243 3.777 ( -12.389 11.776 6.376) 18.243 4.190 ( -1.347 -4.683 -3.122) 5.787 4.190 ( -1.347 4.683 -3.122) 5.787 4.477 ( 10.634 -9.387 -4.007) 14.740 4.477 ( 10.634 9.387 -4.007) 14.740 4.753 ( 12.037 -3.349 -10.377) 16.242 4.753 ( 12.037 3.349 -10.377) 16.242 5.243 ( 0.393 -2.433 2.236) 3.327 5.243 ( 0.393 2.433 2.236) 3.327 5.485 ( -0.943 -18.049 -3.374) 18.386 5.485 ( -0.943 18.049 -3.374) 18.386 5.779 ( -6.789 -14.703 2.622) 16.405 5.779 ( -6.789 14.703 2.622) 16.405 5.956 ( 0.815 -12.009 4.485) 12.845 5.956 ( 0.815 12.009 4.485) 12.845 6.311 ( 4.701 -14.597 3.826) 15.806 6.311 ( 4.701 14.597 3.826) 15.806 6.452 ( -12.520 -14.070 9.881) 21.268 6.452 ( -12.520 14.070 9.881) 21.268 6.532 ( -9.313 -8.763 -1.378) 12.862 6.532 ( -9.313 8.763 -1.378) 12.862 6.801 ( 0.089 -5.169 2.021) 5.551 6.801 ( 0.089 5.169 2.021) 5.551 7.099 ( 0.134 -5.705 -6.057) 8.322 7.099 ( 0.134 5.705 -6.057) 8.322 7.255 ( 9.044 -2.285 -1.739) 9.489 7.255 ( 9.044 2.285 -1.739) 9.489 7.493 ( 2.982 -6.378 4.305) 8.252 7.493 ( 2.982 6.378 4.305) 8.252 7.926 ( -0.746 -3.333 -8.117) 8.807 7.926 ( -0.746 3.333 -8.117) 8.807 8.169 ( -9.415 -2.724 -4.368) 10.730 8.169 ( -9.415 2.724 -4.368) 10.730 8.505 ( 6.170 -5.169 5.037) 9.495 8.505 ( 6.170 5.169 5.037) 9.495 8.807 ( 0.871 -5.206 4.932) 7.224 8.807 ( 0.871 5.206 4.932) 7.224 9.219 ( -6.126 -2.613 -0.484) 6.677 9.219 ( -6.126 2.613 -0.484) 6.677 9.455 ( 6.161 -5.026 6.030) 9.979 9.455 ( 6.161 5.026 6.030) 9.979 9.987 ( -6.021 -9.402 -1.886) 11.323 9.987 ( -6.021 9.402 -1.886) 11.323 10.257 ( 3.167 -13.264 -9.707) 16.739 10.257 ( 3.167 13.264 -9.707) 16.739 10.588 ( 2.651 -12.603 1.700) 12.990 10.588 ( 2.651 12.603 1.700) 12.990 11.400 ( -7.836 -4.206 3.546) 9.574 11.400 ( -7.836 4.206 3.546) 9.574 11.931 ( -9.187 -5.921 -0.952) 10.971 11.931 ( -9.187 5.921 -0.952) 10.971 12.286 ( 0.269 -1.761 -7.512) 7.721 12.286 ( 0.269 1.761 -7.512) 7.721 12.445 ( -0.588 -9.505 4.531) 10.546 12.445 ( -0.588 9.505 4.531) 10.546 13.118 ( -1.198 -2.962 0.396) 3.220 13.118 ( -1.198 2.962 0.396) 3.220 14.129 ( -0.268 -2.121 -2.393) 3.209 14.129 ( -0.268 2.121 -2.393) 3.209 14.569 ( 2.116 -7.989 3.942) 9.156 14.569 ( 2.116 7.989 3.942) 9.156 15.976 ( 1.267 -1.426 0.074) 1.909 15.976 ( 1.267 1.426 0.074) 1.909 16.663 ( 11.963 -3.506 0.130) 12.467 16.663 ( 11.963 3.506 0.130) 12.467 18.506 ( -0.649 -8.222 -0.841) 8.290 18.506 ( -0.649 8.222 -0.841) 8.290 19.076 ( -1.572 -0.694 2.809) 3.293 19.076 ( -1.572 0.694 2.809) 3.293 19.367 ( 0.670 -1.037 -1.484) 1.931 19.367 ( 0.670 1.037 -1.484) 1.931 19.771 ( 1.072 -4.149 -3.491) 5.527 19.771 ( 1.072 4.149 -3.491) 5.527 20.418 ( -2.215 -1.898 -1.836) 3.446 20.418 ( -2.215 1.898 -1.836) 3.446 20.884 ( -0.310 -10.251 4.320) 11.129 20.884 ( -0.310 10.251 4.320) 11.129 ======================= Grid point 32 (19/90) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( 4.702 -6.657 -0.165) 8.152 2.625 ( 4.702 6.657 -0.165) 8.152 3.241 ( 3.696 -9.118 -1.815) 10.005 3.241 ( 3.696 9.118 -1.815) 10.005 3.467 ( 5.734 -1.291 6.558) 8.806 3.467 ( 5.734 1.291 6.558) 8.806 3.751 ( 12.286 -3.995 -6.082) 14.279 3.751 ( 12.286 3.995 -6.082) 14.279 4.180 ( 1.638 -2.071 -0.688) 2.728 4.180 ( 1.638 2.071 -0.688) 2.728 4.637 ( 5.953 -7.473 -1.067) 9.614 4.637 ( 5.953 7.473 -1.067) 9.614 4.981 ( 6.387 -10.977 -10.321) 16.365 4.981 ( 6.387 10.977 -10.321) 16.365 5.268 ( 1.135 -4.894 0.963) 5.115 5.268 ( 1.135 4.894 0.963) 5.115 5.477 ( 1.912 -26.691 -0.456) 26.764 5.477 ( 1.912 26.691 -0.456) 26.764 5.612 ( -8.025 -8.750 3.603) 12.407 5.612 ( -8.025 8.750 3.603) 12.407 5.986 ( -1.600 -10.055 4.465) 11.117 5.986 ( -1.600 10.055 4.465) 11.117 6.102 ( -11.418 -12.148 2.472) 16.854 6.102 ( -11.418 12.148 2.472) 16.854 6.346 ( -6.842 -9.157 -4.640) 12.337 6.346 ( -6.842 9.157 -4.640) 12.337 6.450 ( 2.103 -3.690 3.108) 5.263 6.450 ( 2.103 3.690 3.108) 5.263 6.793 ( -4.029 -12.751 8.939) 16.085 6.793 ( -4.029 12.751 8.939) 16.085 7.122 ( -1.848 -4.042 -3.157) 5.452 7.122 ( -1.848 4.042 -3.157) 5.452 7.327 ( 2.900 -9.893 -0.082) 10.309 7.327 ( 2.900 9.893 -0.082) 10.309 7.536 ( 2.799 -6.413 1.014) 7.070 7.536 ( 2.799 6.413 1.014) 7.070 7.979 ( -4.892 -3.768 -2.199) 6.555 7.979 ( -4.892 3.768 -2.199) 6.555 8.075 ( 11.711 -9.420 -3.846) 15.514 8.075 ( 11.711 9.420 -3.846) 15.514 8.583 ( 0.950 -7.147 2.149) 7.523 8.583 ( 0.950 7.147 2.149) 7.523 8.814 ( -1.492 -2.623 5.144) 5.964 8.814 ( -1.492 2.623 5.144) 5.964 9.094 ( -5.723 -7.257 0.402) 9.251 9.094 ( -5.723 7.257 0.402) 9.251 9.541 ( -1.137 -5.005 3.503) 6.214 9.541 ( -1.137 5.005 3.503) 6.214 9.865 ( -3.465 -11.851 -6.120) 13.780 9.865 ( -3.465 11.851 -6.120) 13.780 10.291 ( 2.367 -9.931 -5.239) 11.475 10.291 ( 2.367 9.931 -5.239) 11.475 10.669 ( 3.416 -7.629 1.549) 8.501 10.669 ( 3.416 7.629 1.549) 8.501 11.229 ( -6.337 -2.626 1.121) 6.951 11.229 ( -6.337 2.626 1.121) 6.951 11.797 ( -3.754 -3.124 0.998) 4.985 11.797 ( -3.754 3.124 0.998) 4.985 12.209 ( -7.774 -3.953 -6.136) 10.663 12.209 ( -7.774 3.953 -6.136) 10.663 12.392 ( -2.173 -5.028 2.815) 6.158 12.392 ( -2.173 5.028 2.815) 6.158 13.134 ( 1.849 -3.575 1.405) 4.264 13.134 ( 1.849 3.575 1.405) 4.264 14.093 ( -2.361 -3.618 -2.884) 5.194 14.093 ( -2.361 3.618 -2.884) 5.194 14.629 ( 2.690 -5.525 3.484) 7.064 14.629 ( 2.690 5.525 3.484) 7.064 16.025 ( 2.902 -1.208 0.071) 3.144 16.025 ( 2.902 1.208 0.071) 3.144 16.940 ( 12.745 -4.775 0.331) 13.615 16.940 ( 12.745 4.775 0.331) 13.615 18.483 ( -1.363 -7.084 -0.765) 7.254 18.483 ( -1.363 7.084 -0.765) 7.254 19.061 ( -0.084 -0.651 3.162) 3.230 19.061 ( -0.084 0.651 3.162) 3.230 19.366 ( -0.527 -1.900 -2.156) 2.922 19.366 ( -0.527 1.900 -2.156) 2.922 19.790 ( 0.897 -4.537 -3.838) 6.010 19.790 ( 0.897 4.537 -3.838) 6.010 20.348 ( -3.824 -5.100 -1.420) 6.531 20.348 ( -3.824 5.100 -1.420) 6.531 20.900 ( 1.168 -6.547 4.450) 8.002 20.900 ( 1.168 6.547 4.450) 8.002 ======================= Grid point 34 (20/90) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( 3.447 -7.029 0.090) 7.830 2.725 ( 3.447 7.029 0.091) 7.830 3.195 ( -3.074 -7.775 2.414) 8.702 3.195 ( -3.074 7.775 2.414) 8.702 3.597 ( 3.533 -1.348 -0.472) 3.811 3.597 ( 3.533 1.348 -0.472) 3.811 4.036 ( 9.370 -3.048 -9.387) 13.609 4.036 ( 9.370 3.048 -9.387) 13.609 4.304 ( 10.168 -6.211 4.510) 12.740 4.304 ( 10.168 6.211 4.510) 12.740 4.709 ( 0.068 -5.172 3.812) 6.425 4.709 ( 0.068 5.172 3.812) 6.425 4.914 ( -9.591 -10.606 -2.359) 14.493 4.914 ( -9.591 10.606 -2.359) 14.493 5.252 ( -0.279 -3.377 -4.311) 5.484 5.252 ( -0.279 3.377 -4.311) 5.484 5.433 ( -2.102 -9.065 0.333) 9.311 5.433 ( -2.102 9.065 0.333) 9.311 5.681 ( 6.387 -6.285 6.591) 11.124 5.681 ( 6.387 6.285 6.591) 11.124 5.898 ( -1.524 -7.210 -1.494) 7.519 5.898 ( -1.524 7.210 -1.494) 7.519 6.029 ( -0.280 -3.731 1.661) 4.093 6.029 ( -0.280 3.731 1.661) 4.093 6.199 ( -3.351 -1.752 -6.678) 7.674 6.199 ( -3.351 1.752 -6.678) 7.674 6.401 ( -9.619 -10.450 -0.486) 14.211 6.401 ( -9.619 10.450 -0.486) 14.211 6.747 ( 3.218 -7.342 5.087) 9.494 6.747 ( 3.218 7.342 5.087) 9.494 7.059 ( -2.769 -4.536 1.682) 5.574 7.059 ( -2.769 4.536 1.682) 5.574 7.432 ( 2.526 -11.096 -5.275) 12.543 7.432 ( 2.526 11.096 -5.275) 12.543 7.503 ( -2.358 -14.822 5.455) 15.969 7.503 ( -2.358 14.822 5.455) 15.969 8.003 ( 3.613 -3.848 -0.247) 5.284 8.003 ( 3.613 3.848 -0.247) 5.284 8.330 ( 10.624 -14.893 2.232) 18.429 8.330 ( 10.624 14.893 2.232) 18.429 8.596 ( 2.174 -7.555 -4.871) 9.248 8.596 ( 2.174 7.555 -4.871) 9.248 8.772 ( -2.664 -4.406 3.767) 6.380 8.772 ( -2.664 4.406 3.767) 6.380 8.912 ( -11.018 -12.708 0.504) 16.827 8.912 ( -11.018 12.708 0.504) 16.827 9.467 ( -2.478 -1.968 -1.296) 3.419 9.467 ( -2.478 1.968 -1.296) 3.419 9.860 ( 1.324 -17.636 -1.083) 17.719 9.860 ( 1.324 17.636 -1.083) 17.719 10.308 ( -0.555 -5.350 -2.184) 5.805 10.308 ( -0.555 5.350 -2.184) 5.805 10.739 ( 3.008 -6.953 2.179) 7.883 10.739 ( 3.008 6.953 2.179) 7.883 11.161 ( -1.356 -2.676 -0.495) 3.040 11.161 ( -1.356 2.676 -0.495) 3.040 11.795 ( 4.191 -7.808 0.889) 8.907 11.795 ( 4.191 7.808 0.889) 8.907 11.982 ( -11.143 -7.182 -2.107) 13.423 11.982 ( -11.143 7.182 -2.107) 13.423 12.389 ( 0.545 -0.845 0.441) 1.098 12.389 ( 0.545 0.845 0.441) 1.098 13.164 ( 0.633 -2.925 0.719) 3.077 13.164 ( 0.633 2.925 0.719) 3.077 14.049 ( -1.177 -3.909 -1.255) 4.271 14.049 ( -1.177 3.909 -1.255) 4.271 14.675 ( 1.137 -1.885 1.216) 2.515 14.675 ( 1.137 1.885 1.216) 2.515 16.075 ( 1.377 -0.678 -0.017) 1.534 16.075 ( 1.377 0.678 -0.017) 1.534 17.140 ( 5.306 -5.205 0.210) 7.436 17.140 ( 5.306 5.205 0.210) 7.436 18.457 ( -0.763 -6.244 -0.236) 6.295 18.457 ( -0.763 6.244 -0.236) 6.295 19.070 ( 0.288 -0.455 1.233) 1.345 19.070 ( 0.288 0.455 1.233) 1.345 19.352 ( -0.301 -4.158 -0.887) 4.262 19.352 ( -0.301 4.158 -0.887) 4.262 19.794 ( 0.031 -7.525 -1.658) 7.705 19.794 ( 0.031 7.525 -1.658) 7.705 20.282 ( -1.822 -8.090 -0.366) 8.301 20.282 ( -1.822 8.090 -0.366) 8.301 20.930 ( 0.866 -5.183 1.682) 5.517 20.930 ( 0.866 5.183 1.682) 5.517 ======================= Grid point 63 (21/90) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 8.976 0.000 42.146) 43.091 0.895 ( 6.671 0.000 42.863) 43.379 1.469 ( -9.193 0.000 68.200) 68.817 2.591 ( 1.317 0.000 8.464) 8.566 2.710 ( 1.754 0.000 4.070) 4.432 3.072 ( 1.647 0.000 -2.515) 3.006 3.156 ( 1.721 0.000 -12.027) 12.150 3.380 ( 7.098 0.000 -20.074) 21.292 3.587 ( 4.588 0.000 -2.615) 5.281 3.813 ( -1.559 0.000 -4.907) 5.149 3.948 ( -4.840 0.000 6.640) 8.216 3.961 ( -10.917 0.000 -18.335) 21.339 4.508 ( -0.840 0.000 -3.497) 3.596 4.613 ( 11.088 0.000 -0.325) 11.093 4.887 ( 8.483 0.000 15.710) 17.854 4.892 ( -13.190 0.000 11.526) 17.517 5.315 ( -5.604 0.000 11.699) 12.972 5.702 ( 5.042 0.000 -10.797) 11.916 5.957 ( 1.116 0.000 0.915) 1.443 5.970 ( -6.059 0.000 -6.047) 8.561 6.105 ( -0.649 0.000 -12.031) 12.048 6.160 ( -9.872 0.000 -3.790) 10.575 6.241 ( -6.248 0.000 2.760) 6.831 6.432 ( 10.262 0.000 -4.258) 11.110 6.531 ( 3.839 0.000 6.092) 7.201 6.599 ( -6.536 0.000 -13.309) 14.827 6.714 ( 7.449 0.000 -8.986) 11.672 6.834 ( 6.080 0.000 -10.313) 11.972 7.024 ( 0.976 0.000 -1.855) 2.096 7.108 ( 15.539 0.000 -19.317) 24.791 7.229 ( -7.657 0.000 -2.935) 8.200 7.354 ( 2.099 0.000 1.564) 2.618 7.463 ( 4.989 0.000 -1.109) 5.111 7.650 ( 0.183 0.000 -3.600) 3.604 7.725 ( -4.666 0.000 -0.589) 4.703 7.942 ( -5.023 0.000 -7.329) 8.885 8.054 ( -11.462 0.000 8.498) 14.268 8.322 ( 5.348 0.000 11.152) 12.368 8.348 ( 7.085 0.000 8.934) 11.402 8.472 ( 0.762 0.000 10.854) 10.881 8.699 ( 7.890 0.000 9.393) 12.267 8.729 ( 2.155 0.000 1.932) 2.894 8.818 ( 0.171 0.000 6.546) 6.548 8.869 ( 6.252 0.000 5.019) 8.018 9.206 ( 0.930 0.000 5.813) 5.887 9.424 ( -3.952 0.000 -7.627) 8.590 9.685 ( -8.944 0.000 4.571) 10.045 9.702 ( 1.776 0.000 -1.630) 2.411 9.899 ( 1.886 0.000 -5.534) 5.847 10.202 ( 2.521 0.000 3.466) 4.286 10.233 ( -22.240 0.000 -9.896) 24.343 10.414 ( -4.548 0.000 1.167) 4.695 10.779 ( -10.808 0.000 3.907) 11.493 10.823 ( 2.733 0.000 5.464) 6.110 11.298 ( 46.555 0.000 3.138) 46.660 11.369 ( 8.477 0.000 -2.785) 8.923 11.785 ( -48.271 0.000 -7.830) 48.902 11.902 ( 3.138 0.000 -8.897) 9.434 12.139 ( 2.348 0.000 2.646) 3.537 12.272 ( -3.865 0.000 -1.643) 4.199 12.405 ( -5.663 0.000 2.451) 6.170 12.748 ( -5.144 0.000 -4.493) 6.830 12.996 ( -2.442 0.000 6.417) 6.866 13.143 ( 6.530 0.000 2.597) 7.027 14.118 ( 2.315 0.000 8.473) 8.783 14.263 ( 1.728 0.000 2.278) 2.860 14.525 ( -15.664 0.000 -2.324) 15.836 14.876 ( -6.143 0.000 -6.621) 9.032 16.112 ( -1.663 0.000 -0.566) 1.757 16.164 ( 4.283 0.000 -3.116) 5.296 16.596 ( -6.375 0.000 4.681) 7.909 16.877 ( -16.573 0.000 -2.599) 16.776 18.177 ( 10.568 0.000 0.729) 10.593 18.284 ( 0.681 0.000 -1.586) 1.726 18.758 ( 0.842 0.000 3.578) 3.676 19.139 ( -2.405 0.000 -5.067) 5.609 19.329 ( 5.090 0.000 2.549) 5.692 19.343 ( -0.015 0.000 2.165) 2.165 19.562 ( 1.518 0.000 -0.017) 1.518 19.651 ( -22.257 0.000 -2.157) 22.361 20.295 ( 6.578 0.000 -1.711) 6.797 20.357 ( -4.113 0.000 -1.774) 4.479 20.729 ( -10.177 0.000 6.906) 12.299 21.136 ( 60.526 0.000 -3.359) 60.620 ======================= Grid point 64 (22/90) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 18.570 0.000 27.271) 32.993 1.255 ( 19.827 0.000 34.701) 39.966 2.256 ( 54.025 0.000 40.515) 67.529 2.591 ( -10.363 0.000 -8.162) 13.191 2.770 ( 13.326 0.000 6.093) 14.652 3.034 ( -2.257 0.000 4.660) 5.178 3.162 ( 2.834 0.000 -5.426) 6.121 3.288 ( -10.194 0.000 4.856) 11.292 3.703 ( -8.047 0.000 -17.936) 19.658 3.801 ( -0.958 0.000 -7.258) 7.321 3.887 ( 2.648 0.000 10.599) 10.925 4.085 ( 29.570 0.000 -15.205) 33.250 4.382 ( -8.790 0.000 -8.685) 12.357 4.546 ( -18.594 0.000 9.462) 20.863 4.918 ( 11.974 0.000 -2.934) 12.329 4.993 ( 0.633 0.000 6.839) 6.869 5.253 ( -1.017 0.000 10.806) 10.854 5.735 ( -13.239 0.000 7.742) 15.336 5.835 ( 1.206 0.000 3.145) 3.369 5.883 ( -2.793 0.000 -18.207) 18.420 5.908 ( -13.502 0.000 -4.403) 14.202 6.104 ( 0.711 0.000 -3.248) 3.325 6.104 ( 3.189 0.000 0.896) 3.312 6.431 ( -2.916 0.000 -3.664) 4.683 6.548 ( 1.629 0.000 -12.870) 12.973 6.618 ( 4.393 0.000 5.232) 6.832 6.861 ( 3.907 0.000 -13.454) 14.010 6.877 ( -4.213 0.000 -4.428) 6.112 7.004 ( -0.005 0.000 -6.353) 6.353 7.114 ( -0.088 0.000 3.585) 3.586 7.350 ( 5.945 0.000 -9.490) 11.199 7.477 ( 6.813 0.000 2.500) 7.257 7.520 ( -3.230 0.000 10.345) 10.837 7.604 ( -6.456 0.000 1.841) 6.714 7.616 ( -7.264 0.000 -6.180) 9.537 7.751 ( 2.322 0.000 -6.542) 6.942 7.999 ( 1.503 0.000 -6.165) 6.345 8.279 ( -14.361 0.000 11.223) 18.226 8.340 ( -4.055 0.000 17.605) 18.066 8.434 ( -7.232 0.000 -2.669) 7.709 8.700 ( -4.797 0.000 -1.261) 4.960 8.857 ( 2.693 0.000 1.379) 3.025 8.927 ( 12.467 0.000 11.228) 16.778 9.045 ( -7.650 0.000 2.632) 8.090 9.213 ( 2.925 0.000 12.647) 12.981 9.248 ( 2.636 0.000 6.325) 6.853 9.401 ( -13.021 0.000 -1.890) 13.157 9.614 ( -19.450 0.000 0.339) 19.453 9.859 ( 11.368 0.000 4.878) 12.371 10.019 ( 7.336 0.000 -0.695) 7.369 10.135 ( -9.200 0.000 4.542) 10.260 10.298 ( -5.176 0.000 -1.702) 5.448 10.607 ( -3.333 0.000 15.238) 15.598 10.785 ( -4.083 0.000 3.446) 5.343 11.122 ( -8.624 0.000 -3.224) 9.207 11.622 ( 2.206 0.000 -1.495) 2.665 11.719 ( -1.425 0.000 -10.641) 10.736 11.796 ( -1.175 0.000 -1.964) 2.289 12.245 ( 0.060 0.000 -3.637) 3.638 12.271 ( -3.622 0.000 9.139) 9.831 12.397 ( 5.217 0.000 -2.881) 5.959 12.589 ( -9.247 0.000 -5.417) 10.717 13.009 ( 10.049 0.000 -2.996) 10.486 13.212 ( -1.032 0.000 1.482) 1.806 14.186 ( 3.303 0.000 1.655) 3.694 14.251 ( -1.775 0.000 5.596) 5.871 14.544 ( 9.010 0.000 4.864) 10.239 14.742 ( -5.340 0.000 -9.408) 10.818 16.012 ( -1.720 0.000 -5.278) 5.551 16.108 ( -3.998 0.000 -1.904) 4.429 16.791 ( 18.055 0.000 3.797) 18.450 17.184 ( 18.728 0.000 -2.239) 18.861 18.328 ( 3.661 0.000 -1.246) 3.867 18.415 ( 11.085 0.000 -8.836) 14.176 18.762 ( -0.661 0.000 4.350) 4.400 19.045 ( -5.613 0.000 -5.139) 7.610 19.279 ( -13.637 0.000 5.083) 14.554 19.331 ( -0.616 0.000 1.430) 1.557 19.402 ( -0.725 0.000 1.344) 1.527 19.634 ( 6.812 0.000 3.338) 7.586 20.305 ( -0.208 0.000 -5.884) 5.888 20.400 ( 0.051 0.000 5.201) 5.201 20.548 ( -3.668 0.000 -3.907) 5.359 21.693 ( 1.292 0.000 -7.718) 7.825 ======================= Grid point 65 (23/90) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 36.418 0.000 -1.872) 36.466 1.726 ( 19.640 0.000 24.909) 31.721 2.304 ( -13.824 0.000 -10.305) 17.243 3.059 ( 13.095 0.000 -7.947) 15.318 3.063 ( -10.571 0.000 5.493) 11.913 3.102 ( 7.032 0.000 13.099) 14.867 3.139 ( 13.777 0.000 9.272) 16.607 3.441 ( 9.034 0.000 3.588) 9.720 3.707 ( 31.483 0.000 0.198) 31.484 3.825 ( 4.763 0.000 -6.661) 8.188 3.946 ( 0.684 0.000 12.536) 12.555 4.005 ( -26.029 0.000 8.180) 27.284 4.183 ( -7.064 0.000 -4.717) 8.494 4.704 ( 18.787 0.000 -13.892) 23.365 4.970 ( -2.935 0.000 0.089) 2.936 5.145 ( 11.656 0.000 -10.518) 15.699 5.306 ( 7.016 0.000 10.066) 12.270 5.377 ( -16.877 0.000 1.535) 16.947 5.621 ( -11.171 0.000 -14.718) 18.477 5.883 ( -0.268 0.000 7.797) 7.802 5.926 ( 6.509 0.000 -6.110) 8.928 6.170 ( -1.395 0.000 0.895) 1.658 6.216 ( 6.556 0.000 5.141) 8.332 6.370 ( -2.914 0.000 -3.923) 4.887 6.514 ( -4.393 0.000 -5.987) 7.426 6.663 ( -7.465 0.000 6.565) 9.941 6.681 ( -1.374 0.000 -1.088) 1.753 6.853 ( 1.909 0.000 -11.949) 12.101 7.037 ( 0.135 0.000 5.067) 5.069 7.266 ( 12.662 0.000 -17.272) 21.416 7.279 ( -14.225 0.000 9.259) 16.973 7.431 ( -5.810 0.000 6.420) 8.659 7.469 ( -1.440 0.000 8.144) 8.270 7.521 ( -0.302 0.000 -3.414) 3.427 7.675 ( 8.915 0.000 -1.165) 8.990 7.813 ( 3.485 0.000 -10.823) 11.371 7.898 ( -20.176 0.000 11.978) 23.464 8.092 ( 8.102 0.000 -13.004) 15.321 8.207 ( -12.096 0.000 -5.423) 13.256 8.273 ( -4.779 0.000 8.979) 10.172 8.638 ( -0.687 0.000 -0.631) 0.933 8.690 ( -9.340 0.000 8.813) 12.841 8.892 ( -6.857 0.000 -2.834) 7.419 9.158 ( 2.715 0.000 7.600) 8.070 9.182 ( -9.147 0.000 4.522) 10.204 9.309 ( -9.170 0.000 -9.191) 12.983 9.360 ( 9.653 0.000 3.733) 10.349 9.493 ( 12.464 0.000 13.827) 18.616 10.012 ( -3.895 0.000 -3.144) 5.005 10.018 ( -0.932 0.000 -1.105) 1.446 10.135 ( 8.293 0.000 3.879) 9.156 10.312 ( 5.941 0.000 5.742) 8.262 10.618 ( 1.417 0.000 9.813) 9.915 10.697 ( -5.418 0.000 3.352) 6.371 11.051 ( -0.702 0.000 -3.590) 3.659 11.311 ( -16.617 0.000 -11.296) 20.093 11.585 ( -6.378 0.000 -7.354) 9.735 12.007 ( 8.333 0.000 7.011) 10.890 12.149 ( -11.046 0.000 -6.558) 12.846 12.188 ( -8.082 0.000 9.457) 12.440 12.352 ( -2.405 0.000 2.547) 3.503 12.427 ( -1.829 0.000 -3.020) 3.530 13.131 ( -4.920 0.000 -2.647) 5.587 13.292 ( 12.497 0.000 -9.863) 15.920 14.266 ( 4.861 0.000 -4.970) 6.952 14.287 ( 5.093 0.000 8.966) 10.312 14.612 ( -6.488 0.000 -7.130) 9.640 14.720 ( 5.601 0.000 9.212) 10.782 16.017 ( 2.359 0.000 -8.317) 8.645 16.076 ( 0.526 0.000 -2.821) 2.869 17.176 ( 15.939 0.000 7.373) 17.562 17.460 ( 9.054 0.000 4.169) 9.968 18.436 ( 6.773 0.000 -0.650) 6.804 18.557 ( 2.637 0.000 -4.678) 5.370 18.767 ( 1.367 0.000 3.218) 3.497 18.884 ( -8.938 0.000 -5.511) 10.500 19.059 ( -8.360 0.000 3.732) 9.155 19.339 ( 1.370 0.000 -0.458) 1.444 19.352 ( -2.580 0.000 -0.194) 2.587 19.792 ( 5.853 0.000 1.352) 6.007 20.292 ( -6.330 0.000 2.134) 6.680 20.330 ( 3.433 0.000 -9.999) 10.572 20.606 ( 5.531 0.000 -0.631) 5.567 21.573 ( -8.967 0.000 3.045) 9.470 ======================= Grid point 66 (24/90) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -8.601 0.000 1.376) 8.711 2.180 ( 7.341 0.000 3.361) 8.074 2.379 ( 25.050 0.000 -16.444) 29.965 2.928 ( -0.564 0.000 5.874) 5.901 3.146 ( -1.544 0.000 6.008) 6.203 3.239 ( -7.268 0.000 20.518) 21.767 3.415 ( 1.966 0.000 -10.573) 10.754 3.509 ( 18.156 0.000 0.923) 18.179 3.541 ( -7.144 0.000 4.112) 8.243 3.822 ( -8.012 0.000 -18.840) 20.473 3.943 ( -2.323 0.000 12.189) 12.409 4.045 ( 6.395 0.000 0.601) 6.423 4.548 ( 15.136 0.000 15.411) 21.601 4.855 ( -7.107 0.000 -12.638) 14.499 4.862 ( -2.123 0.000 -10.673) 10.882 5.251 ( 14.176 0.000 5.066) 15.054 5.254 ( 2.517 0.000 -0.768) 2.631 5.396 ( -0.064 0.000 -16.616) 16.616 5.694 ( 15.914 0.000 -10.103) 18.850 5.760 ( -16.297 0.000 4.373) 16.874 5.943 ( -14.640 0.000 16.735) 22.235 6.103 ( 10.298 0.000 2.121) 10.514 6.265 ( -6.148 0.000 -6.793) 9.162 6.329 ( 3.679 0.000 5.085) 6.276 6.426 ( -2.763 0.000 0.884) 2.901 6.598 ( -3.503 0.000 3.927) 5.262 6.716 ( 3.915 0.000 0.482) 3.944 6.879 ( 0.752 0.000 -3.623) 3.700 6.887 ( -16.767 0.000 4.559) 17.376 7.006 ( -5.954 0.000 4.929) 7.729 7.287 ( -4.252 0.000 11.046) 11.836 7.469 ( -1.371 0.000 2.910) 3.217 7.557 ( -10.433 0.000 9.206) 13.914 7.561 ( 4.876 0.000 -3.762) 6.158 7.591 ( 15.006 0.000 -21.770) 26.440 7.888 ( 3.621 0.000 -7.779) 8.581 7.923 ( 14.075 0.000 -6.368) 15.449 7.987 ( -5.674 0.000 -1.572) 5.888 8.156 ( -5.136 0.000 1.867) 5.465 8.259 ( 8.641 0.000 -3.703) 9.401 8.623 ( 0.242 0.000 9.992) 9.995 8.660 ( 2.195 0.000 1.366) 2.586 8.747 ( -4.122 0.000 -3.279) 5.267 8.994 ( -8.547 0.000 6.462) 10.715 9.075 ( -10.234 0.000 8.065) 13.030 9.212 ( -0.628 0.000 -10.311) 10.330 9.508 ( -1.515 0.000 -6.241) 6.422 9.704 ( 5.882 0.000 12.608) 13.913 9.886 ( -2.564 0.000 -9.839) 10.167 10.061 ( 3.761 0.000 1.276) 3.972 10.237 ( -2.074 0.000 3.412) 3.993 10.413 ( 1.787 0.000 4.549) 4.888 10.569 ( -4.567 0.000 6.821) 8.209 10.652 ( -0.196 0.000 6.618) 6.621 11.050 ( 1.050 0.000 -2.080) 2.330 11.124 ( 1.352 0.000 -11.068) 11.150 11.519 ( 1.575 0.000 -4.885) 5.132 11.830 ( -14.121 0.000 -5.678) 15.220 11.996 ( -7.967 0.000 5.825) 9.869 12.125 ( 2.750 0.000 1.723) 3.245 12.371 ( 1.783 0.000 10.175) 10.330 12.470 ( 3.427 0.000 0.269) 3.438 13.060 ( -0.867 0.000 -2.140) 2.309 13.405 ( -0.649 0.000 -16.155) 16.168 14.384 ( -5.136 0.000 2.070) 5.538 14.392 ( 7.480 0.000 -3.944) 8.457 14.530 ( 6.690 0.000 4.171) 7.883 14.779 ( -1.260 0.000 8.938) 9.026 16.065 ( 2.762 0.000 -8.562) 8.996 16.081 ( -0.276 0.000 -4.403) 4.411 17.429 ( 6.595 0.000 10.205) 12.150 17.621 ( 6.049 0.000 9.377) 11.159 18.545 ( -1.896 0.000 -1.680) 2.533 18.588 ( 4.880 0.000 -1.466) 5.096 18.699 ( -4.547 0.000 -3.255) 5.592 18.820 ( 2.727 0.000 2.990) 4.047 18.923 ( -5.423 0.000 1.781) 5.707 19.309 ( -1.631 0.000 -2.305) 2.823 19.381 ( 2.411 0.000 0.107) 2.414 19.834 ( -1.818 0.000 -5.328) 5.630 20.193 ( -3.416 0.000 0.346) 3.433 20.407 ( 4.793 0.000 -12.702) 13.576 20.738 ( 6.529 0.000 6.455) 9.181 21.369 ( -10.674 0.000 2.925) 11.068 ======================= Grid point 67 (25/90) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( -13.439 0.000 0.029) 13.440 2.252 ( -2.054 0.000 -8.163) 8.418 2.464 ( -16.382 0.000 -18.470) 24.688 2.931 ( -10.278 0.000 21.327) 23.674 3.059 ( 9.125 0.000 6.632) 11.280 3.138 ( -1.084 0.000 9.097) 9.161 3.406 ( -1.971 0.000 -8.581) 8.804 3.631 ( -2.995 0.000 -7.126) 7.730 3.674 ( 6.213 0.000 6.599) 9.063 3.912 ( -1.246 0.000 8.454) 8.546 3.928 ( 15.281 0.000 7.544) 17.042 4.029 ( -14.197 0.000 11.285) 18.136 4.554 ( -9.529 0.000 -3.034) 10.001 4.677 ( -8.561 0.000 -14.760) 17.063 4.845 ( 13.321 0.000 -28.336) 31.311 5.232 ( -22.666 0.000 12.880) 26.070 5.315 ( 1.831 0.000 1.301) 2.246 5.487 ( 9.848 0.000 -6.426) 11.759 5.619 ( 1.533 0.000 10.667) 10.776 5.874 ( 11.474 0.000 4.898) 12.475 5.922 ( 7.287 0.000 -9.365) 11.866 6.153 ( -2.515 0.000 -12.050) 12.309 6.199 ( 1.447 0.000 -10.759) 10.856 6.255 ( -13.618 0.000 11.579) 17.875 6.462 ( -6.487 0.000 -0.252) 6.492 6.531 ( -0.902 0.000 16.632) 16.657 6.735 ( 0.768 0.000 1.042) 1.295 6.780 ( -1.535 0.000 6.152) 6.341 6.854 ( 4.151 0.000 -5.397) 6.809 6.887 ( 2.168 0.000 -2.614) 3.396 7.326 ( 4.166 0.000 16.268) 16.793 7.423 ( -2.041 0.000 2.216) 3.013 7.425 ( -4.776 0.000 3.994) 6.226 7.687 ( 6.443 0.000 -6.373) 9.062 7.723 ( -0.996 0.000 -8.952) 9.007 7.889 ( -1.870 0.000 -12.801) 12.937 8.055 ( 13.723 0.000 1.255) 13.780 8.065 ( -3.069 0.000 -3.073) 4.343 8.281 ( 16.737 0.000 -12.730) 21.028 8.499 ( 10.785 0.000 14.189) 17.822 8.628 ( -1.633 0.000 -4.574) 4.857 8.701 ( -1.753 0.000 2.425) 2.992 8.778 ( 5.718 0.000 12.628) 13.863 8.781 ( -14.058 0.000 9.258) 16.833 8.895 ( 0.775 0.000 -1.415) 1.613 9.229 ( -18.770 0.000 -15.613) 24.415 9.230 ( 4.393 0.000 1.016) 4.509 9.796 ( 2.391 0.000 11.937) 12.174 9.945 ( 6.101 0.000 -10.278) 11.952 10.136 ( -4.243 0.000 -0.339) 4.256 10.137 ( 2.521 0.000 3.910) 4.652 10.390 ( -4.232 0.000 -4.126) 5.911 10.558 ( 1.138 0.000 12.563) 12.615 10.611 ( -3.943 0.000 3.553) 5.308 11.089 ( 2.399 0.000 -1.171) 2.670 11.230 ( 6.811 0.000 -6.675) 9.536 11.617 ( 6.860 0.000 -0.785) 6.904 11.624 ( -4.002 0.000 -8.857) 9.719 11.956 ( 4.275 0.000 5.947) 7.324 12.191 ( 4.346 0.000 0.781) 4.416 12.430 ( 2.531 0.000 11.948) 12.213 12.528 ( 2.156 0.000 1.677) 2.731 13.082 ( 2.229 0.000 -1.429) 2.648 13.250 ( -10.569 0.000 -20.556) 23.114 14.208 ( -8.212 0.000 -0.380) 8.221 14.508 ( 0.935 0.000 -1.902) 2.120 14.722 ( -2.695 0.000 6.283) 6.837 14.753 ( 10.268 0.000 8.421) 13.280 16.045 ( -2.309 0.000 -5.410) 5.883 16.097 ( 1.172 0.000 -7.859) 7.946 17.471 ( -3.917 0.000 10.687) 11.382 17.751 ( 5.035 0.000 14.297) 15.158 18.493 ( -6.183 0.000 -4.214) 7.482 18.513 ( -0.524 0.000 -2.626) 2.677 18.808 ( -5.203 0.000 -6.167) 8.069 18.835 ( 9.693 0.000 1.780) 9.856 18.895 ( 3.543 0.000 7.401) 8.205 19.271 ( -1.381 0.000 -3.832) 4.073 19.436 ( 2.634 0.000 3.298) 4.221 19.726 ( -6.597 0.000 -8.909) 11.086 20.142 ( -1.400 0.000 -1.195) 1.841 20.476 ( 2.948 0.000 -13.336) 13.658 20.876 ( 4.810 0.000 11.144) 12.138 21.133 ( -12.041 0.000 -1.382) 12.120 ======================= Grid point 68 (26/90) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -20.222 0.000 14.075) 24.638 1.841 ( -37.003 0.000 -7.049) 37.669 2.196 ( 3.606 0.000 -16.053) 16.453 2.970 ( -15.091 0.000 3.300) 15.447 2.976 ( 7.320 0.000 21.654) 22.858 3.220 ( 4.583 0.000 5.474) 7.139 3.279 ( -8.171 0.000 2.559) 8.562 3.322 ( -48.930 0.000 30.127) 57.461 3.716 ( 1.506 0.000 -12.920) 13.008 3.753 ( 9.316 0.000 -3.296) 9.882 3.849 ( -7.080 0.000 0.545) 7.101 4.164 ( 5.353 0.000 9.511) 10.913 4.333 ( -4.966 0.000 -18.376) 19.035 4.622 ( 3.825 0.000 -3.963) 5.508 4.821 ( -5.977 0.000 2.001) 6.304 5.340 ( -0.903 0.000 8.336) 8.385 5.491 ( 29.889 0.000 -19.080) 35.460 5.634 ( 3.858 0.000 3.590) 5.270 5.683 ( 0.438 0.000 -5.462) 5.480 5.820 ( -17.047 0.000 15.532) 23.061 5.981 ( -0.171 0.000 1.805) 1.813 5.991 ( 0.964 0.000 -10.880) 10.923 6.131 ( -1.527 0.000 -1.643) 2.243 6.280 ( 6.717 0.000 -19.950) 21.051 6.437 ( 3.464 0.000 -3.901) 5.216 6.459 ( -0.447 0.000 11.227) 11.236 6.689 ( -5.259 0.000 1.508) 5.471 6.812 ( 4.774 0.000 6.203) 7.828 6.887 ( 1.062 0.000 -1.370) 1.734 7.046 ( -1.951 0.000 -7.109) 7.372 7.412 ( 0.425 0.000 2.524) 2.559 7.419 ( 1.141 0.000 7.473) 7.559 7.441 ( 8.585 0.000 3.435) 9.247 7.685 ( 1.373 0.000 -1.606) 2.113 7.748 ( -1.736 0.000 -13.680) 13.790 7.869 ( 4.443 0.000 -4.974) 6.670 8.023 ( -0.687 0.000 -1.248) 1.425 8.215 ( -11.463 0.000 6.383) 13.121 8.477 ( 12.045 0.000 5.997) 13.455 8.557 ( -4.888 0.000 -5.589) 7.425 8.560 ( 1.149 0.000 -5.965) 6.074 8.604 ( -1.144 0.000 12.271) 12.324 8.799 ( -7.847 0.000 -6.130) 9.957 8.873 ( 1.637 0.000 -1.912) 2.517 8.913 ( 2.943 0.000 -2.085) 3.607 8.966 ( 6.601 0.000 7.779) 10.203 9.538 ( 20.110 0.000 19.055) 27.704 9.882 ( 6.235 0.000 15.110) 16.346 10.000 ( -1.970 0.000 -6.075) 6.387 10.066 ( -4.422 0.000 -4.619) 6.395 10.164 ( -0.366 0.000 4.710) 4.724 10.315 ( 1.690 0.000 -3.180) 3.601 10.529 ( -3.457 0.000 3.032) 4.598 10.606 ( 1.440 0.000 8.300) 8.424 11.115 ( -0.414 0.000 -3.219) 3.245 11.357 ( 6.182 0.000 -8.946) 10.874 11.593 ( 1.333 0.000 -8.513) 8.617 11.789 ( 9.730 0.000 3.268) 10.264 12.126 ( 7.939 0.000 5.239) 9.512 12.303 ( 4.657 0.000 0.925) 4.748 12.530 ( 6.356 0.000 10.852) 12.576 12.602 ( 6.034 0.000 1.739) 6.279 12.966 ( -12.436 0.000 -20.148) 23.677 13.098 ( -1.320 0.000 -3.676) 3.906 14.107 ( -0.494 0.000 0.708) 0.863 14.369 ( -11.100 0.000 0.835) 11.132 14.743 ( 2.003 0.000 1.854) 2.730 14.932 ( 5.291 0.000 5.947) 7.960 15.996 ( -0.909 0.000 -5.019) 5.100 16.091 ( -0.720 0.000 -7.046) 7.082 17.293 ( -14.227 0.000 9.640) 17.185 17.871 ( 4.458 0.000 16.677) 17.263 18.377 ( -4.484 0.000 -2.445) 5.107 18.473 ( -6.731 0.000 -13.580) 15.156 18.688 ( -2.783 0.000 -6.999) 7.531 19.014 ( 6.463 0.000 0.107) 6.464 19.024 ( 8.491 0.000 9.963) 13.090 19.270 ( 2.271 0.000 -3.153) 3.886 19.507 ( 4.051 0.000 8.925) 9.801 19.574 ( -5.907 0.000 -7.583) 9.612 20.133 ( 0.921 0.000 -2.880) 3.024 20.477 ( -1.596 0.000 -12.730) 12.829 20.853 ( -14.515 0.000 -7.712) 16.436 20.945 ( -0.112 0.000 12.862) 12.863 ======================= Grid point 69 (27/90) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -15.986 0.000 31.551) 35.369 1.049 ( -33.848 0.000 14.197) 36.705 2.202 ( -52.835 0.000 52.003) 74.134 2.430 ( 18.349 0.000 -8.872) 20.382 2.708 ( -12.640 0.000 4.883) 13.550 3.079 ( -1.383 0.000 10.757) 10.845 3.151 ( -3.183 0.000 0.773) 3.276 3.286 ( 2.504 0.000 -0.130) 2.507 3.674 ( -7.326 0.000 -6.094) 9.529 3.844 ( 12.486 0.000 -18.729) 22.510 3.851 ( -0.166 0.000 -4.126) 4.129 4.168 ( -5.029 0.000 -23.489) 24.022 4.387 ( 9.351 0.000 15.721) 18.292 4.641 ( -6.110 0.000 4.305) 7.475 4.754 ( -0.159 0.000 4.241) 4.244 5.138 ( -15.743 0.000 12.036) 19.817 5.429 ( -6.925 0.000 15.357) 16.846 5.661 ( 1.564 0.000 -10.916) 11.027 5.890 ( 4.761 0.000 -1.181) 4.906 5.987 ( 7.614 0.000 -14.096) 16.021 6.040 ( 5.055 0.000 3.928) 6.402 6.114 ( 12.054 0.000 9.186) 15.155 6.214 ( 18.006 0.000 -8.537) 19.927 6.307 ( -2.122 0.000 -11.451) 11.646 6.393 ( -6.805 0.000 -2.176) 7.144 6.566 ( 7.112 0.000 -5.248) 8.839 6.689 ( 5.901 0.000 -7.266) 9.360 6.820 ( -8.957 0.000 -12.471) 15.354 6.938 ( 6.198 0.000 -0.694) 6.236 6.975 ( 2.053 0.000 -1.095) 2.327 7.367 ( -5.788 0.000 5.083) 7.703 7.427 ( 0.150 0.000 2.718) 2.722 7.434 ( -6.887 0.000 -1.754) 7.107 7.671 ( -2.023 0.000 -11.333) 11.512 7.820 ( -1.577 0.000 -2.068) 2.601 7.957 ( 1.710 0.000 -4.974) 5.259 8.076 ( 6.369 0.000 8.086) 10.293 8.087 ( 9.936 0.000 5.721) 11.465 8.396 ( -10.484 0.000 3.752) 11.135 8.496 ( -5.055 0.000 9.842) 11.064 8.590 ( 0.706 0.000 4.684) 4.737 8.660 ( 2.878 0.000 2.225) 3.637 8.752 ( 6.127 0.000 1.423) 6.290 8.857 ( -3.017 0.000 0.874) 3.141 9.075 ( 10.567 0.000 3.289) 11.067 9.272 ( 16.094 0.000 7.779) 17.875 9.749 ( 0.347 0.000 10.889) 10.895 9.821 ( -10.851 0.000 -1.962) 11.027 9.960 ( -4.605 0.000 -9.101) 10.200 10.094 ( 2.205 0.000 -1.010) 2.425 10.329 ( 21.229 0.000 29.828) 36.611 10.433 ( 4.331 0.000 3.266) 5.424 10.490 ( 1.098 0.000 7.722) 7.799 10.665 ( 6.034 0.000 3.944) 7.208 11.038 ( -6.397 0.000 -8.546) 10.675 11.370 ( -3.282 0.000 -10.104) 10.624 11.725 ( 11.306 0.000 -7.327) 13.473 11.996 ( 7.029 0.000 -0.005) 7.029 12.229 ( 1.933 0.000 4.014) 4.456 12.342 ( -1.129 0.000 0.594) 1.276 12.602 ( -7.383 0.000 -8.789) 11.478 12.764 ( 5.925 0.000 0.381) 5.937 12.846 ( 8.331 0.000 3.068) 8.878 13.045 ( -0.377 0.000 -4.161) 4.178 14.157 ( -7.403 0.000 3.893) 8.365 14.174 ( 5.310 0.000 0.813) 5.372 14.758 ( -1.476 0.000 -3.366) 3.676 14.974 ( -1.783 0.000 0.357) 1.818 16.028 ( 5.105 0.000 -3.936) 6.447 16.065 ( 0.025 0.000 -4.662) 4.662 16.928 ( -20.203 0.000 7.482) 21.544 17.933 ( -25.505 0.000 -29.986) 39.366 18.030 ( -10.883 0.000 -0.783) 10.911 18.303 ( -2.207 0.000 -1.827) 2.865 18.714 ( 2.807 0.000 1.967) 3.428 19.116 ( 4.110 0.000 -2.039) 4.588 19.264 ( 9.299 0.000 5.774) 10.946 19.299 ( -0.748 0.000 -2.583) 2.689 19.518 ( 1.735 0.000 -2.311) 2.889 19.742 ( 21.030 0.000 18.962) 28.316 20.181 ( 4.165 0.000 -3.365) 5.355 20.351 ( -8.086 0.000 -10.997) 13.649 20.527 ( -12.166 0.000 -0.605) 12.181 20.895 ( -6.188 0.000 11.774) 13.301 ======================= Grid point 70 (28/90) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 4.124 22.032 28.239) 36.053 1.208 ( -10.869 25.100 32.041) 42.128 2.025 ( 1.291 40.309 44.152) 59.799 2.686 ( 2.716 -0.341 0.341) 2.759 2.813 ( -0.460 18.412 4.896) 19.057 3.133 ( 6.163 10.034 -4.778) 12.708 3.245 ( 3.385 6.271 -3.289) 7.849 3.463 ( -3.996 8.152 -10.012) 13.515 3.624 ( 10.313 3.544 -5.126) 12.050 3.796 ( -1.607 -0.168 -5.845) 6.065 3.966 ( -5.737 1.689 -10.123) 11.758 4.029 ( -5.798 6.135 3.397) 9.099 4.520 ( 2.271 -2.222 1.557) 3.539 4.578 ( 4.031 0.472 2.350) 4.690 4.757 ( 1.929 -3.060 6.742) 7.651 4.918 ( -12.594 -1.931 9.693) 16.010 5.427 ( -2.019 7.248 5.444) 9.287 5.739 ( 1.455 2.576 -10.624) 11.028 5.919 ( -6.168 -6.243 -9.426) 12.879 5.990 ( -5.547 -7.462 7.248) 11.789 6.052 ( -1.518 4.561 2.073) 5.235 6.190 ( -3.944 3.549 -16.872) 17.687 6.210 ( 9.214 -6.779 1.796) 11.579 6.380 ( 3.357 0.159 0.744) 3.442 6.388 ( -0.660 -3.773 5.352) 6.581 6.497 ( 1.914 -4.284 5.823) 7.478 6.618 ( -0.116 -6.249 -3.063) 6.961 6.873 ( 8.233 1.798 -22.364) 23.899 7.025 ( 7.354 3.997 -3.455) 9.055 7.044 ( -3.758 -3.618 0.622) 5.254 7.236 ( 2.015 -7.480 -0.177) 7.749 7.343 ( -3.830 3.006 -10.077) 11.191 7.488 ( 4.949 -0.062 -2.363) 5.485 7.599 ( 3.605 -6.962 -1.657) 8.013 7.723 ( -10.351 -5.650 -3.056) 12.183 7.803 ( 2.698 -12.703 -7.373) 14.933 7.882 ( -8.384 -2.379 4.570) 9.840 8.189 ( 3.931 -4.120 6.566) 8.691 8.429 ( -0.003 -0.338 9.435) 9.441 8.549 ( 1.698 2.717 11.791) 12.218 8.619 ( 0.982 -6.170 10.285) 12.034 8.784 ( 5.950 1.040 4.211) 7.363 8.812 ( -3.966 -1.475 7.302) 8.440 8.951 ( 7.255 4.882 3.848) 9.554 9.176 ( 0.904 -6.870 2.180) 7.264 9.407 ( -5.731 1.720 -1.406) 6.147 9.530 ( 10.062 -5.718 3.323) 12.041 9.698 ( -7.279 -3.881 4.448) 9.372 9.862 ( -0.591 -4.131 -2.998) 5.138 10.050 ( -1.146 -7.544 4.083) 8.655 10.261 ( 0.505 -9.766 -1.256) 9.859 10.422 ( -12.444 12.846 -13.101) 22.170 10.699 ( 0.910 -7.137 1.113) 7.280 11.015 ( -4.334 8.861 -1.001) 9.915 11.142 ( 10.281 -0.783 -0.015) 10.311 11.560 ( 15.093 8.185 1.676) 17.251 11.744 ( 2.674 -10.475 -4.603) 11.750 11.856 ( -23.551 5.654 -3.456) 24.465 12.141 ( -5.008 -5.315 3.979) 8.316 12.184 ( 4.365 1.768 -0.702) 4.762 12.398 ( -2.710 -0.602 5.354) 6.031 12.810 ( -2.782 3.278 -5.993) 7.376 12.951 ( -1.650 -2.676 3.795) 4.928 13.160 ( 5.695 0.027 2.232) 6.117 14.106 ( 2.292 2.267 3.659) 4.876 14.381 ( 1.514 1.343 0.959) 2.240 14.469 ( -10.153 -4.575 -4.498) 12.010 14.880 ( -1.183 -0.524 -5.694) 5.840 16.079 ( 0.125 -2.634 -1.583) 3.076 16.118 ( 1.095 -3.611 -2.093) 4.315 16.585 ( -4.166 -1.365 3.879) 5.854 16.823 ( -6.316 -4.381 -0.281) 7.692 18.093 ( 1.071 2.047 7.808) 8.143 18.562 ( 4.565 10.651 -9.962) 15.281 18.809 ( 0.029 4.662 2.588) 5.332 19.156 ( -0.307 1.436 -5.870) 6.051 19.249 ( 2.469 -3.768 4.916) 6.667 19.354 ( -1.266 0.520 2.335) 2.707 19.567 ( 2.286 0.913 0.233) 2.472 19.741 ( -16.236 5.215 -6.592) 18.283 20.216 ( 11.814 -1.307 6.673) 13.631 20.361 ( -3.911 0.521 -1.533) 4.233 20.698 ( -7.993 -1.646 6.269) 10.290 21.273 ( 27.336 3.578 -12.252) 30.168 ======================= Grid point 71 (29/90) ======================= q-point: ( 0.14 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 16.837 18.311 18.734) 31.141 1.506 ( 21.647 20.420 26.402) 39.783 2.457 ( 24.034 10.526 11.924) 28.820 2.638 ( -1.694 11.334 6.105) 12.984 2.889 ( 10.972 11.852 3.316) 16.488 3.229 ( -6.628 9.554 8.025) 14.129 3.335 ( 7.511 12.465 -4.526) 15.241 3.347 ( 2.527 13.814 9.723) 17.080 3.725 ( -3.760 0.719 -14.310) 14.813 3.833 ( 0.556 5.226 -6.982) 8.739 3.923 ( -0.895 5.373 7.927) 9.618 4.151 ( 27.979 5.828 -14.909) 32.235 4.452 ( -6.770 5.769 -5.120) 10.263 4.536 ( -17.603 -1.266 9.600) 20.091 4.737 ( 5.922 -13.295 10.357) 17.863 4.915 ( 5.070 -2.357 -3.859) 6.793 5.402 ( -0.356 7.109 5.443) 8.960 5.654 ( -7.660 -5.445 1.248) 9.481 5.744 ( -7.977 -7.265 -5.055) 11.915 5.874 ( -5.707 1.203 -4.484) 7.357 5.972 ( -10.384 0.611 -5.136) 11.601 6.101 ( 6.156 9.144 -1.457) 11.119 6.246 ( -1.936 0.835 -4.010) 4.531 6.399 ( 5.780 -5.151 -1.742) 7.935 6.480 ( 4.388 -0.656 3.236) 5.492 6.616 ( 4.134 -0.154 3.362) 5.331 6.695 ( 2.035 -5.594 -0.127) 5.954 6.907 ( -2.336 -2.001 -19.352) 19.595 6.939 ( -3.833 -3.690 1.375) 5.496 7.127 ( 3.255 4.621 -4.467) 7.204 7.316 ( 5.224 -3.101 -0.673) 6.112 7.395 ( 3.993 -2.773 1.598) 5.117 7.501 ( -7.234 -8.174 -0.132) 10.916 7.605 ( 2.822 -3.805 -4.417) 6.477 7.643 ( -3.537 -5.268 -0.626) 6.375 7.719 ( 0.994 5.882 -4.654) 7.566 7.887 ( 3.547 -9.573 -4.937) 11.340 8.225 ( -12.048 -4.787 5.805) 14.205 8.279 ( -3.825 -5.834 9.720) 11.964 8.541 ( -5.269 4.341 2.586) 7.301 8.613 ( -5.449 -6.128 1.752) 8.386 8.754 ( -1.898 -6.156 6.345) 9.043 8.918 ( 3.826 -2.624 7.898) 9.160 9.073 ( -3.393 1.288 0.215) 3.636 9.132 ( 3.901 -6.565 10.490) 12.975 9.287 ( -3.536 2.592 -1.474) 4.626 9.518 ( -6.880 2.253 4.287) 8.414 9.557 ( -14.296 4.544 2.461) 15.201 9.771 ( 0.782 -13.827 4.667) 14.614 10.069 ( 5.648 3.003 -1.819) 6.650 10.172 ( -2.232 9.974 -4.747) 11.269 10.344 ( 3.122 -1.575 1.367) 3.755 10.668 ( -3.850 6.785 10.168) 12.816 10.966 ( -1.292 9.089 -0.813) 9.217 10.973 ( -10.963 -7.557 -3.306) 13.720 11.531 ( -12.587 -8.764 -9.747) 18.173 11.780 ( 6.272 8.877 -4.684) 11.835 11.909 ( -0.071 6.816 2.474) 7.251 12.168 ( 6.790 -10.525 -2.075) 12.696 12.282 ( 3.495 -5.804 -0.727) 6.814 12.303 ( -4.926 2.004 7.892) 9.517 12.638 ( -8.399 5.534 -4.897) 11.187 12.945 ( 2.357 -3.699 1.610) 4.672 13.210 ( -0.031 -1.026 0.989) 1.426 14.166 ( 2.524 -0.494 -1.577) 3.017 14.311 ( -3.609 1.514 2.506) 4.648 14.450 ( 4.786 -4.628 6.040) 8.989 14.839 ( -2.559 4.154 -8.678) 9.955 16.007 ( -1.747 -0.427 -4.643) 4.979 16.072 ( -2.459 -2.990 -1.975) 4.346 16.767 ( 16.543 -2.446 3.715) 17.131 17.120 ( 20.319 -6.201 -0.953) 21.265 18.152 ( 3.828 -2.646 2.817) 5.440 18.649 ( 3.785 5.180 -6.810) 9.356 18.797 ( -1.278 6.933 2.786) 7.580 19.102 ( -2.982 4.263 -4.552) 6.913 19.285 ( -3.378 -2.776 0.330) 4.385 19.317 ( -3.646 1.945 4.270) 5.942 19.464 ( -5.696 5.323 0.112) 7.797 19.639 ( 5.349 0.720 1.760) 5.677 20.294 ( 0.238 -0.377 -2.712) 2.749 20.388 ( -0.713 -0.579 3.960) 4.065 20.561 ( -1.686 1.209 -3.520) 4.086 21.576 ( 2.481 -8.987 -3.783) 10.061 ======================= Grid point 72 (30/90) ======================= q-point: ( 0.29 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 31.879 12.570 -1.867) 34.319 1.962 ( 19.108 16.532 15.475) 29.630 2.358 ( -10.160 6.470 -8.613) 14.808 3.022 ( 15.391 4.978 0.482) 16.183 3.098 ( -5.117 3.092 16.110) 17.184 3.211 ( -1.221 9.628 2.405) 9.998 3.320 ( 15.119 11.359 7.027) 20.175 3.601 ( 1.687 13.290 -6.795) 15.021 3.772 ( 7.288 -0.523 -12.877) 14.806 3.907 ( 1.292 -0.358 4.767) 4.952 3.987 ( 1.497 12.205 11.128) 16.584 4.065 ( -3.132 9.634 3.528) 10.727 4.328 ( -2.617 13.503 7.036) 15.449 4.746 ( 17.225 3.163 -13.671) 22.218 4.843 ( 6.030 -7.977 4.790) 11.088 5.066 ( 12.732 -6.834 -12.917) 19.382 5.386 ( -15.851 1.094 -2.086) 16.025 5.416 ( 1.876 5.860 11.022) 12.623 5.581 ( -6.429 -1.943 -10.821) 12.736 5.801 ( -2.688 -3.189 2.594) 4.912 5.915 ( 4.301 -1.805 0.235) 4.671 6.178 ( -2.745 -3.094 -7.064) 8.185 6.241 ( 0.575 6.084 0.012) 6.111 6.462 ( -0.372 -4.876 -1.708) 5.180 6.561 ( 1.439 9.586 8.120) 12.645 6.594 ( -6.507 -3.366 1.413) 7.461 6.658 ( 0.032 -0.406 2.710) 2.740 6.836 ( 1.310 -7.334 -7.794) 10.783 6.963 ( 2.878 -0.494 3.095) 4.255 7.211 ( -1.926 -2.422 2.395) 3.913 7.275 ( -7.415 -3.700 4.629) 9.492 7.351 ( -2.719 -4.567 -0.719) 5.364 7.487 ( -1.731 -2.830 -6.700) 7.476 7.544 ( 2.900 3.991 -1.195) 5.076 7.684 ( 3.571 -5.526 -1.869) 6.840 7.744 ( -2.149 0.385 3.788) 4.372 7.904 ( -9.260 1.116 -4.297) 10.269 7.986 ( 5.969 -9.730 -11.227) 16.011 8.210 ( -8.892 -3.004 3.161) 9.904 8.363 ( -6.493 5.054 0.223) 8.231 8.440 ( -7.327 -9.410 -0.778) 11.951 8.751 ( 0.155 -0.995 4.610) 4.719 8.803 ( -7.510 -5.569 -3.837) 10.106 9.071 ( -1.557 -5.329 4.852) 7.373 9.206 ( -1.866 0.433 0.216) 1.927 9.223 ( -11.512 -7.138 -1.461) 13.624 9.386 ( 10.219 -3.370 10.893) 15.311 9.492 ( 1.270 3.642 1.788) 4.251 9.821 ( -0.653 -5.728 7.953) 9.823 10.148 ( -0.508 8.383 -3.100) 8.952 10.218 ( 7.456 3.984 1.566) 8.598 10.425 ( 5.182 -0.998 5.526) 7.642 10.644 ( -0.399 8.010 7.677) 11.102 10.761 ( -6.516 2.623 -0.754) 7.065 11.043 ( 4.515 0.429 -4.851) 6.641 11.220 ( -13.059 -5.892 -10.300) 17.645 11.658 ( -9.654 5.018 -3.872) 11.548 12.023 ( 0.917 -0.858 2.657) 2.939 12.086 ( -9.754 -2.732 0.117) 10.130 12.184 ( -3.994 -0.927 3.726) 5.541 12.340 ( 0.316 -0.687 2.717) 2.820 12.526 ( -1.603 7.766 -2.854) 8.427 13.047 ( 2.233 -8.701 -1.721) 9.146 13.211 ( 3.093 -3.545 -3.155) 5.664 14.209 ( 2.636 -3.558 -5.295) 6.903 14.336 ( 5.640 -0.173 5.437) 7.836 14.529 ( 0.043 -2.255 1.877) 2.934 14.780 ( -1.666 1.906 0.262) 2.546 16.012 ( 2.332 -0.354 -6.993) 7.380 16.060 ( 0.906 -1.395 -3.034) 3.460 17.136 ( 15.969 -4.135 6.703) 17.805 17.452 ( 11.143 -2.412 3.667) 11.976 18.256 ( 5.816 -6.137 -1.179) 8.537 18.643 ( -4.097 -5.435 -1.988) 7.091 18.799 ( 1.450 12.381 -0.209) 12.467 19.038 ( -2.809 8.482 -2.009) 9.158 19.104 ( -8.388 3.546 2.633) 9.480 19.296 ( -0.807 0.028 0.759) 1.109 19.424 ( -0.104 3.522 -1.298) 3.755 19.777 ( 5.624 -1.181 1.468) 5.932 20.276 ( -6.437 -1.281 0.841) 6.617 20.327 ( 3.475 -0.282 -6.921) 7.750 20.624 ( 5.012 1.754 -1.575) 5.539 21.503 ( -7.039 -6.200 2.856) 9.805 ======================= Grid point 73 (31/90) ======================= q-point: ( 0.43 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( -4.863 11.151 -9.446) 15.402 2.354 ( 9.676 16.958 7.773) 21.015 2.455 ( 21.084 5.861 -14.383) 26.187 2.947 ( -4.063 7.477 11.112) 13.996 3.163 ( -3.281 0.392 11.366) 11.837 3.321 ( -4.161 4.848 6.230) 8.924 3.434 ( 0.919 4.588 0.266) 4.687 3.640 ( 3.317 10.333 -4.651) 11.807 3.707 ( 8.817 13.291 3.501) 16.329 3.882 ( -1.724 6.622 -10.997) 12.953 4.004 ( -6.785 6.255 3.612) 9.910 4.072 ( 9.538 2.377 -1.230) 9.906 4.614 ( 3.809 2.174 10.868) 11.720 4.888 ( -5.162 2.379 -9.530) 11.096 4.912 ( -1.298 6.185 -8.131) 10.298 5.216 ( 9.378 2.197 3.592) 10.280 5.311 ( 10.754 1.497 -2.368) 11.113 5.470 ( 1.579 5.266 -8.646) 10.246 5.575 ( 1.612 -4.249 -5.760) 7.337 5.775 ( 4.100 -4.885 7.393) 9.764 5.942 ( -7.193 -2.057 2.077) 7.765 6.094 ( -5.360 4.173 4.544) 8.172 6.194 ( 5.510 -1.987 -1.503) 6.047 6.396 ( -4.879 -2.427 3.376) 6.411 6.446 ( -9.669 4.962 3.521) 11.424 6.561 ( -4.299 -3.103 4.222) 6.777 6.687 ( 2.590 -3.054 -1.448) 4.258 6.857 ( -1.433 -5.006 0.628) 5.244 6.954 ( -6.126 -1.273 1.646) 6.470 7.027 ( -10.947 6.632 1.818) 12.927 7.137 ( 0.980 -8.545 13.296) 15.835 7.401 ( -2.441 -4.289 4.274) 6.529 7.440 ( 1.160 -8.208 5.539) 9.970 7.541 ( -1.410 -2.546 -3.247) 4.360 7.718 ( 11.241 6.683 -16.432) 21.001 7.848 ( -1.477 -1.656 -9.848) 10.095 7.898 ( 5.416 -3.693 -3.361) 7.366 8.047 ( 2.058 2.900 -4.986) 6.124 8.096 ( 7.326 -11.332 3.292) 13.890 8.278 ( -0.204 5.841 -5.105) 7.760 8.437 ( 3.826 -7.854 3.361) 9.361 8.669 ( -4.355 -6.171 -6.106) 9.712 8.752 ( -0.536 1.864 3.377) 3.894 8.937 ( -9.037 -2.810 3.198) 9.990 9.045 ( -8.736 -7.127 3.147) 11.705 9.181 ( 0.060 0.703 0.125) 0.716 9.502 ( -0.290 -3.164 -5.213) 6.105 9.610 ( 6.102 -5.626 8.990) 12.235 9.660 ( -11.231 -10.328 -2.077) 15.398 10.231 ( 6.809 9.374 1.305) 11.659 10.319 ( 0.969 3.986 -0.885) 4.196 10.521 ( -3.901 -1.353 4.350) 5.998 10.572 ( 0.446 7.803 7.339) 10.721 10.720 ( -0.300 5.145 1.921) 5.500 11.041 ( -0.471 -0.291 -6.575) 6.598 11.142 ( 4.116 1.833 -4.325) 6.245 11.520 ( -1.748 0.174 -3.218) 3.666 11.774 ( -11.963 -4.731 -4.776) 13.722 12.004 ( -4.562 1.973 7.732) 9.192 12.157 ( 0.503 1.127 0.826) 1.485 12.373 ( 1.978 0.563 7.810) 8.076 12.542 ( 2.131 6.214 -1.993) 6.865 13.036 ( -0.314 -3.180 -1.522) 3.539 13.261 ( -0.688 -10.113 -8.218) 13.050 14.282 ( 4.812 -7.122 -2.999) 9.103 14.433 ( -6.765 0.378 -4.661) 8.224 14.523 ( 8.658 -0.105 6.601) 10.888 14.763 ( -1.087 -1.416 6.820) 7.050 16.052 ( 1.074 -0.696 -7.138) 7.251 16.079 ( 1.665 -0.448 -4.245) 4.582 17.399 ( 7.151 -4.189 9.064) 12.282 17.623 ( 5.394 -0.594 8.655) 10.215 18.378 ( 5.500 -6.612 -3.101) 9.143 18.514 ( -7.109 -7.260 -3.257) 10.670 18.835 ( 2.272 11.865 0.391) 12.087 18.965 ( -3.608 6.254 5.227) 8.914 19.006 ( -1.922 7.720 -1.082) 8.029 19.283 ( -0.126 -0.165 0.592) 0.628 19.440 ( 1.526 3.879 -2.343) 4.782 19.821 ( -1.387 -0.740 -4.633) 4.892 20.171 ( -3.505 -1.949 0.459) 4.036 20.409 ( 4.915 -0.033 -10.586) 11.672 20.739 ( 5.705 0.283 4.914) 7.535 21.330 ( -9.516 -3.677 2.421) 10.485 ======================= Grid point 74 (32/90) ======================= q-point: (-0.43 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -4.399 20.903 -8.295) 22.915 2.366 ( -12.152 9.168 -6.192) 16.434 2.518 ( -8.235 9.353 -10.007) 15.982 2.956 ( -8.651 3.001 17.655) 19.888 3.031 ( 5.150 4.217 8.378) 10.700 3.317 ( 3.493 3.676 3.435) 6.125 3.516 ( 0.176 13.273 -0.617) 13.288 3.723 ( 2.273 9.955 0.985) 10.258 3.746 ( -1.066 11.211 -6.025) 12.772 3.835 ( -3.192 -3.677 9.716) 10.868 4.092 ( 9.737 9.380 1.668) 13.623 4.155 ( -8.183 9.647 9.991) 16.120 4.511 ( -9.669 -2.605 -1.105) 10.074 4.729 ( -1.586 3.073 -18.335) 18.658 4.920 ( 5.078 7.752 -20.336) 22.348 5.169 ( -17.297 -4.287 11.872) 21.413 5.339 ( 1.039 -0.122 -1.077) 1.501 5.528 ( 6.023 4.553 -0.831) 7.595 5.675 ( 1.788 3.910 7.662) 8.786 5.877 ( 8.446 3.921 -6.176) 11.173 6.026 ( -0.484 1.852 0.513) 1.982 6.047 ( 15.263 -4.240 -1.637) 15.925 6.130 ( -12.328 -5.199 -0.151) 13.380 6.225 ( -7.145 -3.707 0.514) 8.066 6.418 ( -6.868 -3.513 1.832) 7.929 6.512 ( -5.528 -2.124 12.727) 14.037 6.655 ( 0.384 -5.517 -3.329) 6.455 6.801 ( 8.660 -2.940 -7.475) 11.812 6.902 ( -0.258 2.499 4.237) 4.925 6.930 ( -0.981 6.604 4.106) 7.838 7.235 ( 4.284 -7.385 14.418) 16.756 7.333 ( -3.897 -3.967 0.476) 5.581 7.442 ( -0.055 -2.666 8.051) 8.481 7.585 ( 1.899 -6.010 -7.040) 9.449 7.775 ( -1.934 -0.016 -7.189) 7.445 7.861 ( -0.152 -5.205 -12.902) 13.913 7.987 ( 9.797 -3.697 1.316) 10.554 8.186 ( 1.425 7.230 0.725) 7.405 8.301 ( 16.204 2.085 -13.849) 21.417 8.453 ( 10.070 -9.638 8.871) 16.522 8.529 ( 2.109 -1.716 6.042) 6.625 8.596 ( -2.098 -6.659 -8.743) 11.188 8.731 ( -1.729 -1.016 2.329) 3.073 8.810 ( -3.933 -0.330 7.611) 8.574 8.840 ( -3.571 -3.772 1.417) 5.384 9.161 ( -8.850 -3.041 -7.057) 11.720 9.314 ( -2.729 2.413 -2.849) 4.625 9.591 ( 0.910 -15.821 -2.972) 16.124 9.726 ( 3.780 -5.678 9.368) 11.588 10.256 ( -3.682 5.425 -0.784) 6.604 10.366 ( -0.340 -2.056 1.161) 2.385 10.418 ( 0.903 11.985 -1.519) 12.115 10.578 ( -2.991 4.833 7.354) 9.295 10.685 ( -3.242 4.674 0.947) 5.767 11.113 ( 5.227 2.082 -1.991) 5.968 11.223 ( 4.210 -1.028 -3.292) 5.442 11.579 ( 6.078 -3.018 -0.618) 6.814 11.644 ( 1.230 1.423 -6.653) 6.914 12.000 ( 3.837 4.351 6.923) 9.032 12.184 ( 2.301 -0.847 1.307) 2.779 12.435 ( 3.014 0.585 10.077) 10.535 12.584 ( 2.104 4.691 -1.485) 5.352 13.037 ( -1.577 -7.028 -3.383) 7.958 13.154 ( -6.075 -4.478 -9.996) 12.525 14.260 ( -7.688 4.164 -4.333) 9.758 14.366 ( 1.614 -10.708 -1.154) 10.890 14.618 ( -1.683 -6.342 7.720) 10.132 14.820 ( 6.987 1.395 4.695) 8.533 16.028 ( -2.013 -0.808 -4.989) 5.440 16.108 ( 1.054 0.161 -6.553) 6.639 17.425 ( -5.631 -4.645 9.640) 12.092 17.739 ( 4.212 -3.531 12.503) 13.657 18.358 ( -7.165 -6.676 -3.804) 10.506 18.461 ( 2.860 -3.525 -5.386) 7.044 18.877 ( -2.950 5.502 -1.513) 6.424 18.936 ( 4.907 8.958 6.054) 11.874 19.005 ( 1.748 6.143 0.239) 6.391 19.295 ( 0.942 3.006 -0.291) 3.164 19.473 ( 1.911 3.052 1.020) 3.743 19.734 ( -5.215 1.421 -7.790) 9.482 20.123 ( -1.339 -1.923 -0.791) 2.473 20.487 ( 3.816 0.582 -11.678) 12.299 20.858 ( 4.080 -1.475 9.952) 10.857 21.115 ( -11.002 -1.786 -1.871) 11.302 ======================= Grid point 75 (33/90) ======================= q-point: (-0.29 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( -16.198 30.296 13.586) 36.944 1.975 ( -23.319 15.108 -16.809) 32.474 2.268 ( -3.918 7.689 -7.393) 11.364 2.954 ( 2.633 1.073 13.491) 13.787 3.102 ( -2.210 7.384 10.836) 13.298 3.226 ( -21.271 12.349 16.839) 29.808 3.352 ( -10.658 5.993 -1.333) 12.300 3.615 ( -14.423 12.792 10.246) 21.832 3.759 ( 1.061 6.811 -5.071) 8.557 3.818 ( -2.339 6.291 -2.923) 7.321 3.889 ( -1.836 6.240 2.447) 6.949 4.225 ( -1.049 -3.314 -3.693) 5.072 4.291 ( -5.178 7.300 -5.516) 10.513 4.613 ( 0.335 -0.631 -3.218) 3.296 4.973 ( -1.113 11.860 0.882) 11.945 5.208 ( 7.833 -8.790 -1.463) 11.864 5.518 ( 16.364 0.248 -9.379) 18.863 5.612 ( -7.595 -4.308 1.154) 8.807 5.720 ( 5.892 4.938 1.371) 7.809 5.846 ( -5.318 0.416 13.012) 14.063 5.975 ( -5.471 1.101 -9.420) 10.949 6.017 ( 2.360 -2.895 -5.800) 6.898 6.092 ( 1.621 2.177 -6.524) 7.066 6.271 ( 0.722 -6.431 0.784) 6.518 6.377 ( 6.287 -0.868 2.632) 6.871 6.431 ( 1.532 -1.632 1.898) 2.934 6.657 ( -2.787 -3.814 -1.627) 4.996 6.806 ( -2.542 5.248 0.489) 5.852 6.974 ( 2.949 0.229 4.078) 5.038 7.062 ( 2.168 1.611 -5.915) 6.502 7.280 ( 3.147 -6.036 2.771) 7.349 7.335 ( 3.450 -10.393 5.811) 12.397 7.460 ( 0.290 -2.828 2.061) 3.511 7.554 ( -2.786 -7.639 -7.177) 10.845 7.764 ( 1.152 -3.719 -3.610) 5.309 7.902 ( 7.136 3.963 -5.921) 10.084 8.057 ( -0.500 -0.236 0.939) 1.090 8.241 ( -13.483 3.459 1.038) 13.958 8.373 ( 7.198 -4.271 0.926) 8.421 8.486 ( -2.245 -4.849 -5.254) 7.494 8.562 ( 1.862 -1.237 -5.220) 5.679 8.660 ( 3.168 -0.388 12.125) 12.538 8.720 ( -0.236 -4.382 -0.820) 4.465 8.793 ( -1.141 -3.637 -3.956) 5.494 8.938 ( 4.520 -3.206 2.819) 6.218 8.982 ( 5.790 2.942 -0.002) 6.495 9.500 ( 11.442 -2.842 8.336) 14.439 9.610 ( 2.807 -15.572 6.254) 17.014 9.807 ( 2.560 -8.530 8.083) 12.027 10.190 ( -2.210 8.504 -4.021) 9.663 10.292 ( -2.070 5.567 5.360) 8.000 10.443 ( -4.089 -9.878 2.718) 11.031 10.568 ( 1.661 11.335 -7.243) 13.554 10.625 ( 1.685 7.524 4.997) 9.188 11.197 ( 1.955 5.954 -1.425) 6.426 11.319 ( 5.772 -3.878 -5.507) 8.870 11.691 ( 3.653 6.797 -5.901) 9.714 11.761 ( 8.911 -1.928 1.375) 9.220 12.142 ( 6.588 2.185 5.683) 8.970 12.252 ( 3.313 -3.503 1.037) 4.932 12.549 ( 6.810 1.244 10.329) 12.434 12.648 ( 4.887 3.770 -0.603) 6.201 12.857 ( -10.833 -9.228 -11.184) 18.099 13.090 ( -2.049 -0.481 -4.308) 4.795 14.145 ( -2.381 3.520 -3.404) 5.445 14.302 ( -5.571 -5.870 1.030) 8.158 14.608 ( 0.150 -8.621 5.271) 10.105 14.958 ( 4.223 -0.789 2.291) 4.869 15.980 ( -1.208 -0.833 -4.130) 4.383 16.098 ( -0.957 -0.084 -6.401) 6.472 17.217 ( -14.747 -6.156 8.657) 18.174 17.779 ( -4.504 -14.587 11.024) 18.831 18.196 ( -7.703 -3.386 -1.929) 8.632 18.491 ( 1.152 2.185 -8.443) 8.797 18.805 ( -2.042 5.838 -3.599) 7.156 19.042 ( 2.899 0.555 1.222) 3.194 19.120 ( 8.985 8.644 5.732) 13.723 19.306 ( 0.299 2.821 -2.362) 3.691 19.531 ( 1.651 2.629 5.107) 5.977 19.640 ( 0.166 6.473 -3.572) 7.395 20.103 ( -0.748 -2.324 -2.993) 3.863 20.543 ( 3.023 3.688 -8.202) 9.488 20.861 ( -10.809 0.776 -9.805) 14.614 20.920 ( -1.182 -2.208 11.364) 11.636 ======================= Grid point 76 (34/90) ======================= q-point: (-0.14 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -26.316 21.853 6.678) 34.852 1.502 ( -17.369 36.902 19.694) 45.291 2.381 ( -18.642 15.417 32.478) 40.498 2.485 ( -5.418 8.963 2.902) 10.868 2.882 ( -7.203 14.478 3.590) 16.564 3.115 ( -3.303 6.624 5.343) 9.129 3.248 ( -1.727 8.795 4.384) 9.978 3.473 ( -1.284 14.474 0.298) 14.534 3.655 ( -6.491 -0.809 -5.983) 8.865 3.803 ( 3.121 1.418 -10.460) 11.007 3.997 ( 3.905 8.570 -6.150) 11.248 4.116 ( -3.682 -4.121 -16.058) 16.982 4.365 ( 8.547 -0.125 9.630) 12.877 4.606 ( -3.288 0.947 -0.256) 3.431 4.880 ( -11.643 4.943 4.212) 13.331 5.132 ( -9.341 -1.091 11.217) 14.638 5.449 ( -1.837 3.322 11.776) 12.373 5.717 ( 0.530 3.963 -11.020) 11.723 5.914 ( 7.020 -4.380 -6.743) 10.674 5.938 ( 10.161 0.501 -1.258) 10.250 5.981 ( 9.754 -5.928 5.293) 12.582 6.051 ( 0.959 -5.031 -4.876) 7.071 6.204 ( 5.428 -0.106 2.155) 5.841 6.282 ( 2.619 0.295 -11.641) 11.936 6.417 ( -3.098 -0.639 3.255) 4.539 6.498 ( -0.174 1.719 -6.618) 6.840 6.643 ( 8.131 -6.414 -5.039) 11.517 6.750 ( -5.491 -4.085 -3.204) 7.556 6.962 ( -0.167 1.463 -3.403) 3.708 7.075 ( 1.432 6.038 -1.765) 6.451 7.277 ( -4.451 -8.180 5.346) 10.738 7.421 ( 2.662 -0.073 -3.385) 4.307 7.462 ( -1.896 -5.362 -7.851) 9.695 7.526 ( 2.867 -8.407 -3.165) 9.430 7.772 ( -1.058 -9.545 -2.615) 9.953 7.897 ( -7.233 5.340 -5.292) 10.433 8.048 ( -4.186 -5.279 7.015) 9.726 8.156 ( 1.837 -3.235 2.979) 4.766 8.319 ( 0.957 0.408 1.260) 1.634 8.506 ( 2.732 0.868 2.603) 3.872 8.582 ( 0.818 0.039 3.416) 3.512 8.691 ( 3.895 0.212 1.146) 4.066 8.752 ( 2.367 2.482 12.581) 13.040 8.865 ( 3.029 -0.933 -1.070) 3.345 9.112 ( 5.950 -2.908 6.587) 9.340 9.204 ( 17.120 -6.168 3.347) 18.502 9.502 ( -4.646 -8.767 0.068) 9.922 9.771 ( 1.505 -5.355 8.981) 10.564 9.852 ( 2.428 -11.213 2.142) 11.671 10.083 ( -6.059 5.711 -1.275) 8.423 10.334 ( -5.328 -13.227 2.089) 14.412 10.457 ( 13.108 7.580 9.821) 18.048 10.543 ( 1.481 2.875 -1.930) 3.766 10.828 ( 13.018 13.458 0.422) 18.728 11.140 ( -5.999 7.691 -4.548) 10.762 11.434 ( 3.766 -0.217 -8.379) 9.189 11.713 ( 0.834 2.791 -4.461) 5.328 11.981 ( 10.377 -2.593 1.898) 10.864 12.187 ( -3.473 -1.595 2.191) 4.405 12.303 ( -0.385 -1.336 -0.893) 1.653 12.517 ( -12.625 -6.797 2.167) 14.502 12.763 ( 4.887 -2.134 -2.713) 5.984 12.861 ( 12.194 3.090 5.597) 13.769 13.040 ( -0.169 -0.311 -4.213) 4.228 14.098 ( -2.020 0.712 0.213) 2.152 14.290 ( 4.808 3.571 0.987) 6.070 14.601 ( -1.762 -10.802 1.028) 10.993 14.968 ( -3.658 -2.686 -2.566) 5.213 15.995 ( 3.478 -2.019 -3.064) 5.056 16.077 ( 0.631 -0.155 -4.226) 4.276 16.865 ( -18.396 -5.044 6.641) 20.198 17.417 ( -31.454 -26.808 -6.324) 41.809 18.091 ( -2.244 5.353 8.278) 10.110 18.506 ( 2.033 8.401 -10.717) 13.768 18.795 ( 0.742 5.208 -0.197) 5.265 19.107 ( 3.539 -1.015 -1.928) 4.156 19.242 ( 0.231 -0.378 1.087) 1.174 19.350 ( 3.135 3.499 1.643) 4.977 19.518 ( 0.679 2.108 0.459) 2.262 19.843 ( 15.805 7.745 8.590) 19.585 20.039 ( -6.155 -4.226 -4.363) 8.648 20.521 ( -9.092 -0.258 1.505) 9.219 20.738 ( 7.043 13.855 -12.752) 20.104 20.890 ( -0.466 1.381 4.582) 4.808 ======================= Grid point 77 (35/90) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -4.553 28.379 21.424) 35.848 1.844 ( -4.561 31.348 10.639) 33.417 2.581 ( -3.447 5.295 -7.279) 9.638 2.877 ( 3.754 24.112 22.191) 32.984 3.186 ( 7.311 12.830 -7.063) 16.369 3.336 ( -2.419 2.990 -5.440) 6.662 3.455 ( 0.534 10.462 -3.714) 11.115 3.705 ( 3.603 7.647 2.120) 8.715 3.764 ( 3.755 17.942 8.824) 20.344 3.940 ( -5.449 18.210 -11.949) 22.451 4.035 ( 6.284 8.012 1.873) 10.353 4.182 ( -3.389 7.358 2.656) 8.526 4.449 ( -2.446 -0.846 1.327) 2.909 4.619 ( -1.808 -1.824 6.566) 7.051 4.737 ( -1.528 2.189 6.684) 7.198 4.922 ( -7.801 4.759 3.331) 9.726 5.528 ( -1.892 2.005 1.971) 3.389 5.670 ( -5.695 -8.763 -8.147) 13.251 5.830 ( 2.967 -3.271 -9.252) 10.252 5.909 ( -10.743 3.526 3.612) 11.869 6.027 ( 1.148 -2.021 3.586) 4.273 6.182 ( 7.087 -2.291 -7.921) 10.873 6.263 ( 13.372 0.239 -2.869) 13.679 6.329 ( 1.680 -7.108 10.898) 13.119 6.390 ( -5.539 6.256 -15.946) 18.003 6.564 ( 4.025 7.412 5.960) 10.328 6.611 ( -3.673 5.965 -0.672) 7.037 6.773 ( 10.051 -6.361 -8.411) 14.568 6.923 ( -4.283 -8.854 -2.228) 10.085 7.003 ( 5.224 -9.477 1.538) 10.930 7.144 ( 2.732 -3.608 -1.827) 4.881 7.244 ( 1.788 -18.892 -8.585) 20.828 7.377 ( -1.948 -0.889 -6.840) 7.167 7.396 ( -1.825 -15.547 3.966) 16.148 7.481 ( -4.537 -2.367 0.433) 5.135 7.771 ( -2.590 7.067 -6.908) 10.216 8.022 ( 2.519 -13.056 2.686) 13.566 8.039 ( -3.471 9.677 -7.283) 12.599 8.354 ( -5.751 -6.449 7.217) 11.259 8.437 ( 2.619 -9.769 7.759) 12.747 8.579 ( -0.273 0.700 7.272) 7.311 8.747 ( -3.665 -3.910 3.176) 6.229 8.816 ( 4.447 1.223 4.955) 6.769 8.913 ( 2.846 -9.538 12.838) 16.244 9.089 ( 2.801 2.690 -4.382) 5.855 9.337 ( 7.022 -10.486 6.841) 14.355 9.497 ( 1.780 -4.706 2.959) 5.836 9.625 ( 0.725 5.980 2.619) 6.568 9.761 ( -6.032 -4.157 -1.599) 7.498 10.012 ( -1.147 1.557 3.915) 4.367 10.151 ( 3.264 -0.372 -1.952) 3.821 10.504 ( -1.711 -8.931 -0.973) 9.145 10.661 ( -6.735 1.830 -17.031) 18.406 10.930 ( -2.466 -5.601 -2.864) 6.757 11.241 ( 3.027 -1.050 -0.209) 3.211 11.611 ( 9.797 -1.889 4.336) 10.879 11.682 ( -4.259 6.855 -3.742) 8.896 11.988 ( -7.335 6.527 -3.931) 10.577 12.120 ( 1.475 3.287 1.791) 4.023 12.244 ( -5.431 2.954 0.077) 6.183 12.373 ( -0.699 -0.661 7.624) 7.684 12.803 ( 6.680 -4.639 4.390) 9.242 12.959 ( -6.384 3.942 -5.313) 9.194 13.147 ( 3.912 -1.037 0.475) 4.075 14.147 ( -0.651 -0.135 -0.655) 0.934 14.358 ( -0.316 0.247 6.335) 6.348 14.365 ( -1.856 -5.567 -3.564) 6.866 14.834 ( 2.099 -4.053 -2.838) 5.374 16.009 ( 1.847 -3.503 -1.666) 4.297 16.052 ( -1.992 -2.745 -1.759) 3.820 16.545 ( -2.088 -2.138 2.999) 4.233 16.714 ( -0.537 -5.842 0.398) 5.880 18.199 ( -0.817 6.984 6.229) 9.394 18.676 ( 1.313 1.336 -4.599) 4.966 18.931 ( 1.916 6.296 0.001) 6.581 19.168 ( 5.312 -1.205 -1.350) 5.611 19.221 ( -1.262 1.322 -1.941) 2.666 19.359 ( -4.050 -0.192 0.702) 4.115 19.607 ( 1.014 2.994 1.267) 3.405 19.815 ( -9.248 1.739 -5.201) 10.751 20.295 ( 9.051 8.081 5.619) 13.372 20.384 ( -4.278 1.862 -0.402) 4.683 20.663 ( -6.118 -1.669 4.724) 7.908 21.239 ( 12.001 -5.601 -8.873) 15.941 ======================= Grid point 78 (36/90) ======================= q-point: ( 0.14 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 12.236 24.542 10.928) 29.521 2.030 ( 16.677 27.503 13.508) 34.885 2.534 ( 1.363 3.099 -12.960) 13.395 3.098 ( 12.163 21.971 17.368) 30.533 3.212 ( 0.579 19.488 -3.594) 19.825 3.407 ( 4.420 2.201 -0.557) 4.969 3.445 ( -6.565 9.872 6.679) 13.607 3.589 ( 1.632 -1.871 4.068) 4.766 3.893 ( 1.583 16.359 -16.976) 23.629 4.069 ( 3.751 13.480 16.955) 21.983 4.121 ( 10.589 11.003 -9.724) 18.104 4.349 ( 21.268 14.597 -7.467) 26.854 4.436 ( -14.556 -5.362 9.547) 18.215 4.484 ( 3.677 -4.877 8.370) 10.362 4.689 ( -0.483 9.939 7.046) 12.193 4.892 ( -0.456 1.085 -9.308) 9.382 5.473 ( -2.984 0.706 -1.965) 3.642 5.576 ( -2.740 1.185 -0.218) 2.993 5.677 ( -7.266 0.916 -2.168) 7.638 5.903 ( 2.586 -1.558 -4.057) 5.057 5.939 ( -6.372 0.152 3.031) 7.058 6.216 ( -7.353 2.399 -4.430) 8.913 6.250 ( 1.524 -6.752 -2.095) 7.231 6.378 ( 0.189 9.711 -2.967) 10.156 6.440 ( 1.338 -7.592 -0.282) 7.715 6.583 ( 3.288 -3.370 0.298) 4.718 6.705 ( 0.136 1.182 2.253) 2.548 6.784 ( 1.853 1.963 1.327) 3.008 6.944 ( 2.111 -4.361 -1.317) 5.021 7.124 ( -3.925 -13.997 -0.233) 14.539 7.178 ( 6.121 -6.883 -0.485) 9.224 7.253 ( -5.464 -13.421 2.935) 14.785 7.333 ( 11.723 -2.158 -6.598) 13.624 7.471 ( 1.875 -7.643 1.508) 8.013 7.509 ( 5.825 -1.288 -4.849) 7.688 7.733 ( -0.374 -3.576 -9.052) 9.740 7.898 ( -8.017 7.840 0.805) 11.242 8.048 ( -4.231 -12.970 -8.683) 16.171 8.128 ( -6.110 -7.165 4.308) 10.355 8.522 ( -1.017 -1.246 8.012) 8.172 8.566 ( -6.551 -3.362 0.053) 7.363 8.628 ( -5.286 -4.327 3.186) 7.538 8.903 ( 1.317 1.029 3.988) 4.324 8.944 ( 0.539 -7.957 7.322) 10.827 9.113 ( 3.240 1.972 5.422) 6.617 9.356 ( -8.308 -7.565 0.316) 11.241 9.419 ( -10.468 0.884 -7.486) 12.899 9.561 ( -4.105 1.301 9.082) 10.052 9.743 ( 6.020 3.138 10.381) 12.403 10.021 ( 2.837 -5.736 1.721) 6.626 10.298 ( 7.370 0.192 -0.347) 7.380 10.341 ( -4.096 1.777 -3.309) 5.557 10.666 ( -0.292 -14.710 -11.783) 18.850 10.833 ( -1.752 6.429 -1.314) 6.791 11.191 ( -6.032 2.525 0.204) 6.542 11.418 ( -15.063 2.350 -7.140) 16.835 11.903 ( 10.317 -10.791 2.982) 15.224 11.974 ( 0.422 8.161 -6.411) 10.387 12.060 ( -1.576 7.412 3.097) 8.186 12.172 ( -4.929 -5.060 0.236) 7.068 12.347 ( -1.342 1.915 7.540) 7.895 12.777 ( -8.190 4.917 -1.866) 9.734 12.895 ( 0.903 0.040 2.495) 2.654 13.172 ( 0.663 -2.180 -0.479) 2.328 14.129 ( -0.509 -3.158 -4.406) 5.445 14.284 ( -3.895 -2.744 3.960) 6.195 14.433 ( 5.669 2.304 5.621) 8.309 14.849 ( -1.500 -2.714 -5.861) 6.631 15.992 ( -1.299 -1.326 -2.339) 2.986 16.012 ( 0.126 -2.121 -2.695) 3.432 16.698 ( 13.749 -3.632 3.156) 14.567 16.957 ( 18.210 -8.728 0.422) 20.198 18.206 ( 0.808 5.892 3.956) 7.143 18.661 ( -2.322 -1.345 -3.338) 4.283 18.975 ( 2.001 7.602 1.262) 7.962 19.173 ( -3.275 1.338 0.079) 3.538 19.242 ( 0.327 -0.062 -3.486) 3.502 19.339 ( 3.006 0.251 1.868) 3.548 19.582 ( -6.334 5.008 0.815) 8.115 19.677 ( 1.077 2.868 -2.445) 3.920 20.313 ( -1.010 2.222 -1.228) 2.732 20.394 ( -3.700 1.250 4.288) 5.800 20.601 ( 2.195 3.070 -2.429) 4.488 21.377 ( 1.827 -10.073 -1.814) 10.397 ======================= Grid point 79 (37/90) ======================= q-point: ( 0.29 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 23.714 13.688 -2.853) 27.529 2.320 ( 6.749 16.953 -6.616) 19.409 2.628 ( 7.506 18.031 8.592) 21.337 3.167 ( 1.525 8.533 5.325) 10.173 3.326 ( 2.382 14.934 2.300) 15.296 3.424 ( -1.833 11.852 5.424) 13.162 3.511 ( 11.847 5.985 4.651) 14.064 3.777 ( 10.648 -1.421 -3.853) 11.413 3.900 ( -11.526 5.724 9.353) 15.908 3.978 ( 6.421 21.781 -9.502) 24.616 4.148 ( -7.789 5.707 5.629) 11.177 4.351 ( -2.700 14.135 -10.165) 17.619 4.525 ( 3.709 -3.634 7.879) 9.436 4.784 ( 12.683 -0.753 -13.848) 18.793 4.840 ( 14.051 6.978 10.847) 19.073 4.997 ( 18.128 5.194 -9.820) 21.261 5.391 ( -5.179 2.271 -0.305) 5.663 5.516 ( -4.328 3.475 9.444) 10.955 5.601 ( -0.297 5.558 -6.936) 8.893 5.830 ( -8.647 3.135 -5.855) 10.903 5.897 ( 2.781 4.401 5.934) 7.894 6.070 ( -4.280 -6.914 1.371) 8.246 6.333 ( 3.624 -3.768 -4.087) 6.636 6.377 ( -0.754 1.115 -4.772) 4.958 6.451 ( 1.966 -13.202 9.762) 16.536 6.527 ( -8.329 -5.193 3.342) 10.368 6.657 ( 1.227 -1.933 -5.399) 5.864 6.842 ( -5.568 4.307 12.890) 14.686 6.932 ( -2.156 -10.654 3.633) 11.461 7.068 ( -7.869 -10.512 1.654) 13.234 7.197 ( 5.059 -2.035 7.725) 9.455 7.228 ( 0.390 -0.596 -1.968) 2.093 7.378 ( -7.253 -7.559 -0.208) 10.478 7.551 ( -0.456 -4.945 1.899) 5.317 7.649 ( 7.927 0.519 -4.084) 8.932 7.690 ( 0.349 -13.975 -11.531) 18.121 7.813 ( 0.954 4.695 0.087) 4.792 7.922 ( -0.851 -1.363 -11.004) 11.121 8.066 ( -5.100 -5.421 0.710) 7.477 8.355 ( -7.696 -3.042 -12.571) 15.050 8.446 ( -4.398 5.119 -0.682) 6.783 8.631 ( 3.205 -7.089 5.742) 9.669 8.796 ( -7.289 3.743 -3.340) 8.848 8.952 ( -1.019 -5.704 0.460) 5.813 9.082 ( -10.484 -5.639 -1.658) 12.019 9.229 ( -3.397 1.221 -2.415) 4.343 9.315 ( 5.509 -1.470 8.854) 10.531 9.527 ( -1.296 1.743 9.715) 9.955 9.787 ( -6.827 -2.068 7.142) 10.094 10.148 ( 8.259 -9.073 3.771) 12.835 10.314 ( 1.431 -0.579 -2.176) 2.668 10.415 ( 4.626 6.525 -0.792) 8.038 10.639 ( -0.729 -9.406 -0.706) 9.461 10.832 ( 0.771 5.280 -1.398) 5.516 11.103 ( -2.969 -1.338 -4.922) 5.901 11.161 ( -5.570 4.270 -5.613) 8.986 11.773 ( -10.964 6.570 -0.503) 12.791 11.923 ( -11.706 -5.445 -2.830) 13.217 12.080 ( 0.121 -3.870 6.002) 7.143 12.138 ( 1.301 -0.299 -1.720) 2.178 12.357 ( 0.898 2.288 5.716) 6.222 12.667 ( -2.344 3.300 -0.962) 4.160 12.914 ( 1.552 -0.574 2.823) 3.272 13.173 ( -0.730 -0.844 -2.178) 2.447 14.113 ( -0.053 -4.962 -3.757) 6.225 14.280 ( 2.857 -3.727 5.097) 6.931 14.550 ( 3.854 2.394 2.074) 4.988 14.772 ( -4.202 -2.150 -3.204) 5.705 16.006 ( 2.502 -0.226 -4.018) 4.738 16.031 ( 1.671 -1.081 -3.270) 3.828 17.018 ( 14.336 -6.305 4.856) 16.397 17.320 ( 14.514 -9.812 2.024) 17.636 18.240 ( 2.010 3.397 0.733) 4.015 18.579 ( -4.565 -1.457 -3.630) 6.012 19.007 ( 0.716 7.701 2.601) 8.160 19.122 ( -1.678 0.830 3.344) 3.832 19.199 ( -3.289 4.592 -1.702) 5.899 19.378 ( -0.577 5.502 0.813) 5.591 19.489 ( -0.964 3.712 -1.901) 4.281 19.760 ( 4.975 -0.211 0.295) 4.989 20.255 ( -7.549 -0.353 0.561) 7.578 20.325 ( 2.447 0.149 -4.562) 5.179 20.681 ( 4.164 3.836 -1.795) 5.939 21.343 ( -4.208 -8.825 2.021) 9.983 ======================= Grid point 80 (38/90) ======================= q-point: ( 0.43 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( -0.010 12.872 -11.507) 17.266 2.559 ( 15.009 6.600 -10.898) 19.687 2.810 ( 7.549 20.004 9.833) 23.534 3.133 ( -7.156 8.220 5.293) 12.115 3.328 ( -4.683 10.973 12.885) 17.560 3.460 ( -6.141 6.539 8.581) 12.414 3.560 ( 9.795 15.075 0.432) 17.983 3.821 ( 2.947 11.758 -6.148) 13.591 4.011 ( 9.370 4.981 -2.534) 10.910 4.121 ( -3.506 16.935 -8.111) 19.102 4.136 ( 10.132 4.747 -2.382) 11.440 4.216 ( 1.379 16.340 -1.579) 16.474 4.565 ( -1.521 -3.943 1.448) 4.468 4.939 ( 1.585 2.492 0.987) 3.114 5.051 ( -1.620 4.344 0.180) 4.640 5.236 ( -1.876 -3.533 -7.835) 8.797 5.397 ( 3.792 7.077 6.995) 10.649 5.494 ( 4.665 -1.217 0.817) 4.889 5.615 ( 7.248 1.782 -0.723) 7.498 5.669 ( -0.872 0.524 -6.572) 6.651 5.978 ( 0.440 3.463 -2.948) 4.569 6.131 ( 10.450 1.786 4.470) 11.505 6.213 ( -12.369 1.746 5.296) 13.568 6.320 ( -6.197 -5.242 1.094) 8.190 6.448 ( 1.794 -4.838 -0.592) 5.194 6.512 ( -9.319 -3.586 10.026) 14.150 6.599 ( -2.630 -6.923 5.111) 8.998 6.675 ( -0.686 -10.361 0.816) 10.415 6.815 ( -11.210 -3.923 5.313) 13.011 7.046 ( -1.026 -2.835 10.463) 10.889 7.091 ( -0.565 -5.690 2.046) 6.073 7.217 ( -5.564 -11.730 -0.914) 13.015 7.418 ( 7.521 -1.620 -3.221) 8.341 7.508 ( -1.395 4.800 7.609) 9.103 7.617 ( -2.550 -16.060 -3.142) 16.562 7.715 ( -6.045 -1.892 0.661) 6.368 7.910 ( 8.905 -0.179 -13.198) 15.922 7.980 ( 2.464 -2.409 0.123) 3.448 8.052 ( 9.556 4.360 -6.060) 12.126 8.295 ( 3.372 -8.479 -11.593) 14.753 8.415 ( 1.933 6.493 -4.089) 7.913 8.636 ( -2.165 5.369 -8.918) 10.633 8.753 ( 1.722 -1.365 4.225) 4.762 8.850 ( -7.990 -7.194 -3.975) 11.463 8.940 ( -3.443 -0.164 3.374) 4.823 9.194 ( 0.229 0.162 -0.651) 0.709 9.388 ( -0.210 -4.127 0.794) 4.208 9.467 ( -14.217 -6.949 -1.860) 15.933 9.589 ( -0.356 -1.032 11.393) 11.446 10.290 ( 2.661 -6.931 0.815) 7.469 10.356 ( 1.453 -1.200 1.206) 2.237 10.527 ( 4.730 4.236 -3.141) 7.084 10.619 ( 0.229 -2.327 5.233) 5.731 10.849 ( -0.180 5.965 -0.617) 6.000 11.037 ( -0.039 -0.523 -4.954) 4.982 11.164 ( 2.228 -1.213 -2.465) 3.537 11.576 ( -6.428 6.756 -0.879) 9.366 11.690 ( -7.017 -2.116 -2.328) 7.690 12.062 ( -0.940 2.588 6.500) 7.059 12.137 ( -0.052 -3.413 1.098) 3.586 12.392 ( 1.670 1.193 5.651) 6.012 12.642 ( -0.655 -0.098 -3.160) 3.229 12.942 ( -0.039 -0.817 3.244) 3.345 13.151 ( -0.778 -0.972 -3.569) 3.780 14.128 ( 1.490 -6.767 -1.290) 7.048 14.369 ( 3.516 -6.053 3.245) 7.715 14.549 ( -3.887 2.327 -4.221) 6.192 14.729 ( 1.050 -1.759 3.290) 3.876 16.046 ( 0.608 0.124 -4.920) 4.959 16.066 ( 2.397 -0.637 -3.129) 3.993 17.254 ( 6.542 -8.398 5.960) 12.201 17.537 ( 5.560 -8.642 4.892) 11.380 18.276 ( 0.760 -1.124 -2.316) 2.684 18.493 ( -2.057 2.115 -3.858) 4.857 19.021 ( 0.171 6.365 3.218) 7.135 19.079 ( -2.820 3.651 5.519) 7.193 19.149 ( -1.250 6.106 -0.568) 6.258 19.363 ( 0.445 7.654 1.963) 7.914 19.503 ( 1.511 1.876 -2.969) 3.823 19.831 ( 1.485 2.048 -3.769) 4.539 20.122 ( -4.797 -2.417 0.975) 5.459 20.393 ( 4.325 -1.710 -7.164) 8.542 20.762 ( 3.630 2.130 1.810) 4.581 21.226 ( -6.967 -6.125 1.259) 9.361 ======================= Grid point 81 (39/90) ======================= q-point: (-0.43 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 2.195 15.340 -12.461) 19.885 2.504 ( -14.614 6.486 -10.892) 19.346 2.934 ( 1.239 16.753 9.465) 19.281 3.061 ( -3.232 5.751 7.830) 10.238 3.179 ( -5.277 15.961 8.845) 18.996 3.477 ( 2.784 12.950 3.857) 13.796 3.727 ( 2.830 1.059 3.554) 4.665 3.846 ( 2.304 13.215 -3.782) 13.937 4.009 ( -0.728 12.917 -8.517) 15.490 4.091 ( -8.879 18.441 3.079) 20.698 4.248 ( 2.611 7.585 -1.963) 8.258 4.399 ( 3.542 12.025 6.216) 13.992 4.492 ( -6.314 3.004 7.657) 10.370 4.778 ( 0.529 2.797 -17.231) 17.465 5.025 ( -15.371 -4.292 2.042) 16.090 5.145 ( 6.226 3.915 -7.329) 10.383 5.329 ( -0.238 2.219 1.252) 2.559 5.621 ( 3.117 0.063 -2.938) 4.284 5.749 ( 2.409 6.258 1.806) 6.945 5.857 ( 9.002 -9.106 7.309) 14.744 5.955 ( -1.881 -1.791 -5.909) 6.454 6.080 ( -0.830 1.489 1.722) 2.423 6.122 ( -9.233 1.688 7.354) 11.924 6.156 ( -5.145 -1.371 -3.247) 6.237 6.318 ( -7.258 -3.326 5.031) 9.437 6.413 ( -6.176 -5.004 1.918) 8.177 6.629 ( 0.001 -0.507 -3.687) 3.721 6.712 ( 13.360 -2.664 6.779) 15.217 6.789 ( 4.056 -10.412 2.602) 11.473 7.039 ( -2.633 -9.072 7.232) 11.897 7.078 ( -0.500 -2.017 6.296) 6.630 7.251 ( 5.424 -7.298 2.997) 9.574 7.402 ( -4.334 -1.118 3.027) 5.403 7.506 ( -2.747 4.444 -6.387) 8.252 7.575 ( 1.476 -16.645 -5.757) 17.674 7.699 ( 2.109 -7.196 1.359) 7.620 7.938 ( 1.044 -2.594 -2.144) 3.523 8.138 ( 8.410 -8.550 0.168) 11.994 8.314 ( 10.881 0.339 -3.559) 11.453 8.396 ( 4.756 -8.467 -5.497) 11.159 8.480 ( 3.592 4.932 0.308) 6.110 8.600 ( -0.003 6.367 -13.907) 15.295 8.660 ( -6.278 -4.111 -0.891) 7.557 8.810 ( -0.014 1.642 1.918) 2.525 8.912 ( 3.436 9.820 2.095) 10.612 9.078 ( -14.283 -6.396 -9.883) 18.509 9.282 ( 4.044 -5.490 3.766) 7.789 9.363 ( -0.393 -3.628 -2.250) 4.287 9.659 ( 2.059 -2.309 11.151) 11.572 10.281 ( -1.235 -5.001 -3.199) 6.064 10.323 ( -4.985 1.045 2.446) 5.650 10.567 ( -0.298 2.727 -3.241) 4.246 10.651 ( 1.466 -1.015 8.270) 8.460 10.805 ( -3.662 7.275 -3.459) 8.848 11.090 ( 3.959 -5.876 -3.051) 7.714 11.196 ( 2.040 -1.237 -1.860) 3.025 11.549 ( 4.750 1.471 -0.556) 5.004 11.705 ( 7.239 5.230 -1.966) 9.145 12.086 ( 2.382 1.109 4.614) 5.310 12.171 ( 2.763 0.797 5.209) 5.950 12.446 ( 3.229 0.106 6.332) 7.109 12.623 ( -0.534 -4.642 -3.762) 5.999 12.898 ( -4.494 0.748 1.359) 4.754 13.132 ( -0.844 0.367 -3.905) 4.012 14.154 ( 0.774 -7.899 0.846) 7.982 14.358 ( -4.624 3.553 -7.467) 9.474 14.474 ( -1.911 -6.324 6.497) 9.265 14.797 ( 4.312 -3.181 1.413) 5.542 16.025 ( -1.875 0.497 -3.535) 4.032 16.096 ( 0.556 -1.077 -4.423) 4.586 17.277 ( -5.374 -8.790 6.767) 12.326 17.569 ( -3.085 -12.098 4.834) 13.388 18.254 ( -1.667 -0.671 -2.103) 2.766 18.505 ( 2.802 3.834 -4.093) 6.269 18.985 ( -3.799 4.307 0.231) 5.748 19.045 ( -1.048 2.740 5.603) 6.325 19.173 ( 4.123 8.704 1.745) 9.788 19.392 ( 0.465 5.055 1.204) 5.217 19.541 ( 2.992 3.869 0.610) 4.929 19.822 ( -0.880 7.484 -6.109) 9.701 20.063 ( -1.182 -3.840 0.374) 4.035 20.475 ( 4.520 -2.198 -7.874) 9.341 20.831 ( 2.115 -0.742 6.064) 6.465 21.060 ( -8.616 -3.465 -2.636) 9.653 ======================= Grid point 82 (40/90) ======================= q-point: (-0.29 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -16.321 12.709 -7.750) 22.090 2.385 ( 3.507 13.139 -6.709) 15.164 2.668 ( -23.894 28.516 8.689) 38.205 3.029 ( 4.194 6.101 11.241) 13.460 3.313 ( 7.865 7.299 4.044) 11.467 3.489 ( -1.838 10.431 -5.571) 11.967 3.618 ( -22.459 15.785 11.021) 29.581 3.683 ( -10.989 6.704 7.922) 15.115 3.906 ( -5.997 6.643 1.946) 9.158 3.990 ( 1.686 5.905 -9.310) 11.153 4.223 ( -6.690 23.320 6.674) 25.162 4.261 ( -6.506 9.605 -2.871) 11.951 4.469 ( -1.567 5.375 4.167) 6.979 4.659 ( -5.056 7.314 -3.302) 9.485 5.047 ( 10.660 -5.030 -12.356) 17.076 5.236 ( -1.179 12.534 -0.867) 12.619 5.453 ( 10.706 -5.636 -7.011) 13.983 5.591 ( -8.341 3.118 9.212) 12.812 5.758 ( -0.513 -7.985 1.234) 8.096 5.809 ( 4.266 1.172 4.024) 5.980 5.936 ( -5.829 0.895 -3.887) 7.063 5.965 ( -5.299 -6.311 2.156) 8.518 6.064 ( 2.411 -5.984 -7.248) 9.704 6.238 ( 6.196 -1.389 0.868) 6.409 6.344 ( 2.753 1.578 5.392) 6.256 6.404 ( 7.891 -0.158 -1.394) 8.015 6.623 ( -0.346 -1.287 -4.231) 4.436 6.848 ( -0.890 -8.615 3.611) 9.383 6.926 ( 0.127 -9.403 4.705) 10.515 6.945 ( 3.233 -2.062 -0.280) 3.845 7.126 ( 1.180 -9.449 8.795) 12.962 7.256 ( -7.008 4.367 -0.463) 8.270 7.348 ( 1.812 -3.698 -5.520) 6.887 7.437 ( -2.444 -4.211 -0.744) 4.926 7.659 ( 3.001 -6.860 -2.226) 7.811 7.763 ( 7.212 -13.469 -0.623) 15.292 8.025 ( 4.196 -2.438 0.023) 4.853 8.302 ( 1.785 -1.568 -2.844) 3.706 8.316 ( -5.976 -10.630 -6.204) 13.682 8.418 ( -1.328 1.641 -1.903) 2.842 8.506 ( 2.780 -1.449 -2.220) 3.842 8.561 ( 3.124 -4.040 1.947) 5.466 8.679 ( 0.418 0.305 -3.556) 3.593 8.818 ( 1.265 5.298 -3.220) 6.327 8.863 ( -2.082 -3.424 -2.429) 4.686 9.062 ( 6.930 5.895 5.048) 10.405 9.356 ( 2.895 -6.216 -0.296) 6.864 9.511 ( 13.070 0.089 6.087) 14.418 9.659 ( -3.297 -6.662 8.917) 11.609 10.169 ( -7.360 -4.871 3.027) 9.331 10.334 ( 5.421 1.185 -1.999) 5.898 10.481 ( -7.969 5.704 -0.111) 9.801 10.645 ( -2.261 -0.250 0.768) 2.401 10.823 ( 6.964 7.719 -2.898) 10.793 11.155 ( 4.785 -8.744 -5.865) 11.565 11.277 ( 3.660 -1.654 -0.702) 4.077 11.714 ( 8.711 -1.051 0.458) 8.786 11.868 ( 6.388 9.795 -2.156) 11.891 12.155 ( 3.172 -5.061 2.870) 6.627 12.235 ( 1.789 4.056 6.087) 7.530 12.567 ( 7.020 -0.756 4.670) 8.465 12.601 ( -2.342 -7.786 1.892) 8.348 12.804 ( -1.707 6.364 -1.728) 6.811 13.090 ( -2.475 0.555 -4.767) 5.400 14.173 ( 0.926 -4.700 1.632) 5.061 14.246 ( -2.987 5.383 -6.855) 9.214 14.452 ( -1.605 -6.630 7.157) 9.887 14.873 ( 2.034 -6.914 -1.064) 7.285 15.974 ( -1.972 0.262 -2.790) 3.426 16.077 ( -1.472 -1.756 -4.340) 4.908 17.070 ( -14.156 -7.597 6.433) 17.306 17.397 ( -14.287 -18.010 1.739) 23.054 18.230 ( -0.710 4.124 2.692) 4.976 18.566 ( 3.409 3.508 -5.320) 7.228 18.914 ( -2.006 4.449 -2.247) 5.373 19.044 ( 0.382 0.155 2.738) 2.768 19.285 ( 3.966 6.607 4.160) 8.757 19.365 ( -1.240 2.793 -1.147) 3.265 19.610 ( 1.365 4.812 2.567) 5.622 19.839 ( 4.892 11.915 -0.008) 12.880 20.048 ( -0.803 -2.892 -3.564) 4.659 20.563 ( 3.578 -1.636 -2.241) 4.528 20.856 ( 0.076 -2.226 4.325) 4.864 20.882 ( -6.488 -0.676 -7.422) 9.881 ======================= Grid point 83 (41/90) ======================= q-point: (-0.14 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -15.490 23.609 3.659) 28.473 2.158 ( -23.533 26.816 17.164) 39.592 2.528 ( 9.290 5.741 -9.045) 14.180 3.012 ( -17.725 24.120 16.576) 34.216 3.133 ( -4.489 13.285 3.501) 14.453 3.412 ( -3.002 7.539 -5.471) 9.787 3.443 ( 2.334 13.270 4.381) 14.168 3.637 ( 0.717 6.650 2.912) 7.295 3.733 ( -4.753 4.953 1.746) 7.083 4.047 ( -1.538 4.400 -6.098) 7.675 4.066 ( -5.156 22.927 -5.925) 24.235 4.204 ( 1.024 9.998 5.628) 11.519 4.413 ( 0.982 5.050 -2.234) 5.609 4.670 ( -0.103 4.517 1.801) 4.864 4.926 ( -19.928 1.851 6.926) 21.178 5.110 ( -5.356 0.980 2.332) 5.923 5.541 ( 1.416 2.537 4.741) 5.560 5.726 ( 1.635 -4.765 -4.092) 6.490 5.816 ( 8.961 -4.786 -8.495) 13.243 5.853 ( 4.209 -7.328 -0.964) 8.506 5.954 ( 4.240 0.979 1.756) 4.693 5.980 ( 9.485 3.332 -2.392) 10.334 6.066 ( 0.953 -8.961 -0.139) 9.012 6.350 ( 3.231 -3.379 -4.186) 6.276 6.428 ( -1.309 2.220 1.872) 3.185 6.524 ( 7.977 -0.884 -7.339) 10.875 6.610 ( -0.461 3.606 -3.562) 5.089 6.735 ( -6.087 -0.020 0.562) 6.113 6.916 ( -3.026 2.211 -1.291) 3.964 7.012 ( 1.762 -14.226 0.054) 14.335 7.165 ( 2.778 -15.547 -1.495) 15.864 7.178 ( -1.229 -3.134 4.745) 5.818 7.332 ( 0.402 -7.350 -0.715) 7.396 7.447 ( 0.940 -2.082 -5.521) 5.975 7.663 ( -4.516 -6.380 -2.181) 8.115 7.831 ( -3.336 -8.913 1.067) 9.576 8.025 ( 1.267 2.914 -3.835) 4.981 8.079 ( -8.453 -2.108 -6.264) 10.730 8.283 ( 0.436 -2.646 6.535) 7.064 8.554 ( 3.517 1.077 0.799) 3.764 8.571 ( -2.261 -3.294 1.132) 4.152 8.652 ( 7.539 -2.241 -1.740) 8.055 8.739 ( 5.928 -8.630 9.335) 14.027 8.846 ( -0.408 -2.143 4.702) 5.183 8.921 ( 10.589 1.072 -5.479) 11.971 9.192 ( 5.066 -1.962 7.223) 9.038 9.444 ( 4.521 0.450 0.931) 4.637 9.593 ( -1.915 -8.607 5.549) 10.418 9.759 ( 7.140 -1.346 5.307) 8.997 10.047 ( -4.113 -3.571 2.285) 5.907 10.261 ( -10.492 4.886 -2.259) 11.792 10.447 ( 3.349 -6.668 0.442) 7.475 10.699 ( 7.651 8.916 -4.180) 12.470 10.944 ( 1.635 -4.161 -3.711) 5.810 11.213 ( -0.895 -4.469 -8.357) 9.519 11.384 ( 9.909 1.873 0.001) 10.084 11.796 ( -3.629 0.714 0.410) 3.721 11.981 ( 6.792 6.671 1.152) 9.590 12.173 ( -3.654 -2.334 0.053) 4.336 12.278 ( 2.924 -0.163 1.436) 3.262 12.473 ( -9.967 3.867 8.636) 13.744 12.674 ( 4.511 -5.562 -0.760) 7.202 12.945 ( 11.816 3.777 2.712) 12.698 13.044 ( -0.980 1.023 -5.233) 5.421 14.154 ( -0.691 3.452 -1.401) 3.789 14.301 ( 5.787 -2.074 -0.188) 6.151 14.413 ( -2.941 -6.218 4.335) 8.130 14.857 ( -2.839 -7.495 -3.179) 8.622 15.960 ( 1.377 -1.209 -2.052) 2.751 16.052 ( 0.241 -2.015 -2.792) 3.452 16.753 ( -15.247 -5.374 4.927) 16.901 17.001 ( -21.170 -14.641 -0.603) 25.747 18.217 ( -1.314 6.661 6.280) 9.249 18.631 ( 3.304 3.351 -5.835) 7.496 18.902 ( 0.789 4.979 -1.368) 5.223 19.078 ( 3.018 -1.501 -0.581) 3.420 19.263 ( -2.726 2.231 -1.354) 3.774 19.406 ( 0.892 1.658 2.240) 2.926 19.599 ( -0.959 5.026 1.176) 5.250 19.968 ( -2.872 -2.339 0.999) 3.836 20.056 ( 10.000 11.601 -0.931) 15.345 20.518 ( -7.037 0.126 1.913) 7.293 20.779 ( -5.207 -2.648 7.123) 9.212 20.967 ( 12.527 0.839 -13.894) 18.726 ======================= Grid point 84 (42/90) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( -1.552 29.701 13.818) 32.794 2.382 ( -4.985 19.891 1.126) 20.537 2.649 ( 0.273 3.025 -7.620) 8.203 3.117 ( -0.226 -4.873 3.943) 6.273 3.289 ( 0.601 0.700 8.595) 8.644 3.411 ( -1.052 -4.652 4.466) 6.535 3.617 ( 5.826 17.972 -15.048) 24.153 3.864 ( 9.814 7.483 -4.822) 13.250 4.012 ( -0.203 6.942 9.754) 11.974 4.194 ( -0.184 6.791 -2.749) 7.328 4.279 ( -4.293 1.101 -0.582) 4.470 4.370 ( -9.119 2.398 -1.363) 9.527 4.493 ( -3.409 5.875 1.578) 6.973 4.722 ( -12.978 13.438 10.101) 21.238 4.829 ( 3.267 8.977 4.949) 10.759 5.185 ( -1.290 21.784 5.614) 22.533 5.542 ( 1.533 -0.584 -6.979) 7.169 5.577 ( -4.719 1.515 4.720) 6.844 5.722 ( 2.370 -4.433 -4.894) 7.015 5.917 ( 1.514 -14.406 -2.260) 14.661 6.053 ( 5.214 2.321 2.824) 6.368 6.095 ( 9.881 1.054 0.468) 9.948 6.149 ( -7.440 -3.504 -1.458) 8.352 6.332 ( 4.702 3.920 -11.431) 12.967 6.462 ( 8.014 -2.350 1.438) 8.474 6.554 ( 8.143 -8.779 -1.796) 12.108 6.626 ( 0.173 -10.796 1.402) 10.888 6.709 ( -1.062 -2.080 -4.646) 5.200 6.770 ( 1.908 6.820 -3.360) 7.839 6.935 ( -2.934 -3.255 -4.210) 6.076 6.980 ( -9.727 2.948 -0.707) 10.189 7.030 ( 3.908 -7.534 0.599) 8.509 7.199 ( -5.424 -6.200 2.795) 8.699 7.291 ( 10.083 -4.406 -4.292) 11.812 7.431 ( -4.822 -4.727 0.322) 6.760 7.674 ( 3.223 -16.162 2.078) 16.611 7.959 ( -7.734 7.057 -3.476) 11.032 8.173 ( -13.567 -6.116 4.874) 15.659 8.215 ( -4.110 3.971 -7.820) 9.685 8.320 ( 8.391 -1.248 6.627) 10.765 8.527 ( 0.562 -11.915 3.485) 12.427 8.577 ( 3.159 -7.777 4.873) 9.706 8.765 ( 2.554 1.190 6.309) 6.910 8.876 ( 1.039 3.639 -1.647) 4.127 9.175 ( 7.536 -0.721 1.759) 7.772 9.211 ( 1.722 2.372 4.178) 5.104 9.392 ( 3.292 -0.872 5.372) 6.360 9.612 ( -1.899 -10.049 3.402) 10.778 9.825 ( 3.764 9.267 -6.068) 11.699 10.071 ( -8.099 3.529 2.299) 9.129 10.218 ( -1.715 4.188 -5.030) 6.766 10.271 ( 2.394 -11.477 -2.934) 12.085 10.509 ( -9.811 -8.668 0.484) 13.100 10.817 ( 0.942 -10.944 -7.928) 13.546 11.267 ( 5.244 6.723 -3.995) 9.415 11.533 ( 2.720 -4.557 -0.807) 5.368 11.912 ( -1.238 11.616 -0.629) 11.699 12.128 ( -3.698 6.457 -2.240) 7.771 12.187 ( -3.127 2.834 0.971) 4.330 12.228 ( -0.549 -3.948 -2.488) 4.699 12.434 ( -5.039 4.837 10.790) 12.853 12.676 ( 6.595 -6.999 6.850) 11.807 13.045 ( -2.687 3.602 -5.091) 6.791 13.125 ( 2.079 -1.013 -2.764) 3.604 14.117 ( -2.799 -0.976 1.065) 3.150 14.243 ( -1.027 -5.853 -0.104) 5.943 14.433 ( 3.113 5.790 4.338) 7.876 14.719 ( 3.100 -6.766 -0.258) 7.446 15.958 ( 0.628 -1.185 -0.762) 1.542 15.999 ( -0.767 -2.384 -1.552) 2.946 16.512 ( -0.747 -0.729 1.585) 1.898 16.600 ( 0.409 -4.852 0.267) 4.876 18.357 ( -0.873 8.016 3.566) 8.817 18.643 ( -0.604 -4.231 -1.844) 4.655 19.039 ( 2.996 3.942 -0.996) 5.051 19.134 ( 4.230 -1.675 0.727) 4.608 19.265 ( -0.943 2.408 -4.467) 5.161 19.344 ( -3.501 -1.193 -1.751) 4.092 19.685 ( -1.075 4.223 1.631) 4.653 19.817 ( -4.990 -1.347 -2.021) 5.550 20.429 ( -1.482 3.169 1.875) 3.969 20.483 ( 0.342 5.821 5.512) 8.024 20.660 ( -0.819 3.825 0.002) 3.912 21.075 ( 7.074 -9.795 -5.831) 13.416 ======================= Grid point 85 (43/90) ======================= q-point: ( 0.14 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 2.984 24.062 6.521) 25.108 2.505 ( 10.980 16.370 6.055) 20.620 2.657 ( 5.057 8.548 -12.008) 15.583 3.230 ( 9.271 -7.754 2.034) 12.256 3.366 ( 4.869 -0.750 4.286) 6.530 3.490 ( 9.066 -1.422 4.531) 10.234 3.673 ( -14.067 10.874 10.411) 20.603 3.807 ( 4.891 24.956 -0.649) 25.439 4.150 ( 6.786 6.244 -12.786) 15.765 4.186 ( -3.199 0.927 9.707) 10.262 4.252 ( -7.713 -8.870 2.279) 11.974 4.335 ( 14.879 5.308 -7.759) 17.600 4.493 ( 7.269 5.100 -10.667) 13.879 4.610 ( 0.263 6.994 7.421) 10.201 4.890 ( 0.889 13.153 8.918) 15.916 5.180 ( -0.098 21.706 -4.487) 22.165 5.456 ( -6.410 -3.968 -0.150) 7.540 5.604 ( 3.230 -0.261 -2.010) 3.813 5.735 ( -1.056 2.266 1.150) 2.752 5.892 ( -0.649 -1.625 -5.247) 5.531 6.001 ( -0.738 -11.442 -1.298) 11.539 6.140 ( 2.817 21.413 11.672) 24.549 6.223 ( -4.889 -5.508 -3.339) 8.087 6.395 ( -3.696 1.444 2.200) 4.537 6.435 ( -2.860 1.284 0.697) 3.211 6.508 ( -5.196 -9.884 -3.775) 11.787 6.591 ( -2.450 -11.665 -2.765) 12.236 6.667 ( -7.312 -4.325 -2.310) 8.804 6.862 ( -2.614 -11.820 2.256) 12.314 6.930 ( 7.358 -4.005 -3.587) 9.113 6.992 ( 9.067 1.420 2.652) 9.553 7.112 ( 5.398 -4.288 -0.991) 6.964 7.280 ( 11.707 -1.530 -4.908) 12.786 7.331 ( -2.611 -5.735 7.548) 9.832 7.532 ( 11.129 -0.477 -6.117) 12.708 7.677 ( -7.262 -4.848 2.893) 9.198 7.820 ( -5.229 -2.539 -3.447) 6.758 7.969 ( -0.714 -6.479 2.555) 7.001 8.038 ( -9.143 2.029 -5.804) 11.018 8.312 ( -8.859 -14.449 0.381) 16.953 8.550 ( 0.312 0.714 4.439) 4.506 8.653 ( -0.148 2.953 0.017) 2.957 8.847 ( 6.193 -2.000 9.817) 11.778 8.898 ( 0.483 0.358 0.196) 0.632 9.213 ( -7.276 -2.985 -3.104) 8.455 9.234 ( 1.307 8.457 1.125) 8.631 9.395 ( 0.112 -3.765 5.910) 7.008 9.670 ( -2.411 -0.475 -5.433) 5.963 9.746 ( -1.952 6.204 6.410) 9.132 9.936 ( -5.155 -2.074 2.611) 6.140 10.182 ( -0.801 -9.351 -5.532) 10.894 10.311 ( 4.520 -9.914 -6.187) 12.530 10.496 ( 4.156 2.608 0.713) 4.959 10.806 ( 0.430 -8.065 -4.571) 9.281 11.247 ( -5.780 5.777 -3.651) 8.951 11.453 ( -11.173 -2.819 -5.373) 12.714 11.851 ( 0.430 5.168 4.579) 6.918 12.055 ( -4.856 -3.309 -0.480) 5.895 12.107 ( -5.354 3.345 -2.297) 6.718 12.198 ( -1.244 3.308 -0.124) 3.536 12.406 ( -0.195 5.181 8.320) 9.803 12.739 ( -3.342 -6.306 5.678) 9.120 12.989 ( -0.370 5.939 -2.659) 6.518 13.133 ( 1.125 -1.687 -2.744) 3.412 14.083 ( -1.198 -0.412 -1.125) 1.694 14.209 ( -2.148 -4.407 3.211) 5.861 14.513 ( 4.139 5.002 3.465) 7.359 14.755 ( -0.240 -5.808 -2.085) 6.175 15.964 ( 0.792 -0.694 -0.695) 1.262 15.986 ( 0.645 -1.009 -2.281) 2.576 16.645 ( 11.689 -1.005 1.629) 11.845 16.786 ( 14.511 -7.431 0.360) 16.307 18.347 ( -0.384 7.281 2.476) 7.701 18.605 ( -2.518 -4.188 -2.586) 5.529 19.091 ( 1.881 3.770 1.926) 4.632 19.162 ( -1.831 -0.996 3.899) 4.422 19.277 ( 1.661 2.051 -5.767) 6.343 19.334 ( 3.042 -0.664 -1.248) 3.354 19.665 ( -1.805 3.315 1.322) 4.000 19.725 ( -1.785 1.129 -3.024) 3.689 20.367 ( -2.829 2.547 -1.481) 4.085 20.422 ( -6.298 0.689 3.914) 7.447 20.715 ( 4.099 8.315 -0.835) 9.308 21.159 ( 1.481 -11.070 -1.190) 11.231 ======================= Grid point 86 (44/90) ======================= q-point: ( 0.29 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 11.004 13.299 0.822) 17.280 2.625 ( 4.521 10.031 -12.845) 16.913 2.940 ( 15.121 11.310 9.307) 21.052 3.364 ( -8.134 7.223 7.889) 13.438 3.452 ( 6.973 -4.905 -8.061) 11.733 3.476 ( 2.552 7.180 7.204) 10.486 3.749 ( 9.323 -2.299 8.656) 12.928 3.937 ( 0.571 1.475 9.402) 9.534 3.978 ( 3.118 21.649 -4.798) 22.392 4.221 ( -0.109 3.733 4.578) 5.908 4.346 ( 9.679 5.825 -2.830) 11.646 4.512 ( 1.556 9.177 -16.079) 18.579 4.665 ( 1.250 9.501 5.506) 11.052 4.783 ( 15.147 3.191 -10.821) 18.887 4.930 ( 7.391 11.946 4.464) 14.739 5.180 ( 1.540 9.360 -4.360) 10.440 5.393 ( 1.904 -2.749 -4.299) 5.447 5.590 ( -4.830 2.935 3.025) 6.410 5.758 ( 1.014 1.931 -2.253) 3.136 5.784 ( -7.068 -2.556 1.309) 7.629 5.985 ( -11.705 -4.612 3.431) 13.040 6.032 ( -1.704 -14.214 -8.061) 16.429 6.248 ( 2.803 4.148 6.592) 8.277 6.284 ( 4.009 14.413 9.356) 17.645 6.344 ( -9.013 -13.585 4.665) 16.957 6.447 ( -4.159 -1.682 -5.301) 6.945 6.525 ( -2.631 -12.943 7.281) 15.081 6.625 ( -6.220 -10.710 4.879) 13.312 6.667 ( -0.752 -5.521 -5.689) 7.963 7.047 ( -2.300 -1.323 1.898) 3.263 7.149 ( 3.015 -1.710 5.690) 6.662 7.190 ( -1.561 -8.654 -3.599) 9.501 7.274 ( -5.113 0.604 5.913) 7.841 7.490 ( -2.318 -2.526 6.802) 7.617 7.511 ( 4.869 4.215 -0.523) 6.461 7.655 ( 4.757 -2.563 -2.108) 5.800 7.868 ( 9.822 -0.959 -6.783) 11.975 7.900 ( -0.840 1.763 -4.873) 5.250 7.994 ( -5.305 -4.164 -3.245) 7.484 8.227 ( 5.996 -10.367 -6.866) 13.804 8.524 ( -1.389 0.856 4.270) 4.572 8.602 ( -2.594 8.227 -4.181) 9.587 8.843 ( -4.342 -4.476 -4.307) 7.579 8.902 ( -4.734 2.168 4.972) 7.199 9.025 ( -7.924 0.880 -2.116) 8.249 9.288 ( 1.326 6.041 4.021) 7.377 9.373 ( -2.207 4.768 -1.518) 5.469 9.520 ( -0.833 -3.073 0.994) 3.336 9.686 ( -14.507 -6.067 0.069) 15.724 9.941 ( 7.067 -8.847 0.061) 11.323 10.188 ( 1.998 -7.081 -2.738) 7.851 10.421 ( 5.400 -9.221 -2.458) 10.965 10.602 ( 5.028 6.637 2.561) 8.712 10.843 ( 2.807 -4.052 -0.582) 4.963 11.110 ( -5.090 3.033 -4.031) 7.166 11.206 ( -8.341 -0.652 -5.050) 9.772 11.841 ( -7.799 -1.047 -1.075) 7.942 11.927 ( -1.380 0.187 6.105) 6.262 11.981 ( -6.508 3.270 -1.889) 7.524 12.162 ( -3.206 0.635 -0.137) 3.271 12.412 ( -0.002 3.088 7.190) 7.826 12.631 ( -5.252 -5.123 5.183) 8.982 13.010 ( 2.022 6.792 -1.433) 7.230 13.163 ( 0.771 -0.592 -2.461) 2.646 14.049 ( -1.460 -0.638 -0.186) 1.604 14.190 ( 0.106 -5.043 4.355) 6.664 14.601 ( 3.367 2.503 0.216) 4.201 14.714 ( -2.553 -3.036 -3.069) 5.015 16.004 ( 2.859 0.148 -1.418) 3.195 16.019 ( 2.317 -0.294 -2.629) 3.517 16.920 ( 12.516 -2.315 1.946) 12.876 17.102 ( 13.840 -10.074 0.292) 17.121 18.344 ( -0.328 5.848 1.014) 5.944 18.543 ( -2.617 -2.743 -3.473) 5.141 19.119 ( -0.022 3.248 3.786) 4.988 19.138 ( -0.272 1.014 5.296) 5.399 19.278 ( -1.016 3.382 -1.644) 3.895 19.403 ( 2.707 -1.906 0.470) 3.344 19.614 ( -1.850 6.678 -1.287) 7.048 19.760 ( 4.188 -0.430 -1.531) 4.480 20.269 ( -7.705 1.564 -0.568) 7.883 20.327 ( -0.702 -0.275 -3.472) 3.553 20.788 ( 2.832 6.709 -0.648) 7.311 21.151 ( -1.920 -9.662 1.084) 9.911 ======================= Grid point 87 (45/90) ======================= q-point: ( 0.43 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 5.877 9.619 -2.425) 11.530 2.720 ( 4.837 6.848 -8.910) 12.234 3.060 ( -4.483 7.678 8.069) 12.007 3.331 ( -12.217 5.839 8.650) 16.067 3.380 ( 8.777 3.083 -1.829) 9.481 3.571 ( 4.911 -0.263 0.230) 4.923 3.968 ( 12.292 3.364 -1.906) 12.886 4.062 ( 7.339 4.564 4.548) 9.766 4.154 ( 1.737 23.700 -0.527) 23.769 4.259 ( 8.491 11.194 0.042) 14.050 4.409 ( -2.449 14.462 -14.733) 20.789 4.532 ( 3.142 5.080 2.165) 6.353 4.674 ( 2.398 17.676 -0.345) 17.841 4.992 ( -1.286 -7.705 4.863) 9.201 5.042 ( 0.873 8.700 3.984) 9.609 5.208 ( -0.700 1.596 -0.327) 1.773 5.463 ( 2.093 -3.791 1.241) 4.505 5.510 ( 1.481 1.074 -2.851) 3.387 5.629 ( -10.528 5.839 -4.083) 12.713 5.776 ( 5.778 5.233 -4.348) 8.926 5.830 ( 2.833 -9.295 -2.980) 10.164 6.028 ( -3.535 -12.411 -0.749) 12.927 6.166 ( -7.223 -12.065 2.659) 14.311 6.273 ( -6.015 -8.561 2.776) 10.825 6.290 ( -2.637 -13.815 11.139) 17.941 6.403 ( 4.878 -6.889 3.915) 9.304 6.494 ( -2.686 2.138 1.983) 3.964 6.536 ( 2.398 -0.277 8.355) 8.697 6.767 ( 2.162 -1.926 -0.633) 2.964 6.905 ( -4.409 -6.338 4.632) 9.003 6.989 ( -5.522 1.448 -2.765) 6.343 7.118 ( -10.881 3.118 4.488) 12.176 7.242 ( -0.020 -8.350 0.732) 8.382 7.505 ( -5.334 -0.282 2.031) 5.714 7.526 ( 3.205 -1.467 7.048) 7.880 7.775 ( 0.482 -10.753 -5.309) 12.002 7.927 ( 4.030 12.197 -3.704) 13.369 7.958 ( 4.405 6.769 1.507) 8.215 8.076 ( 7.617 -7.383 -8.447) 13.560 8.254 ( 0.946 8.374 -8.723) 12.129 8.551 ( -1.858 5.146 -3.543) 6.518 8.652 ( 8.612 -9.480 0.576) 12.820 8.735 ( -2.939 1.422 -8.184) 8.811 8.782 ( -4.620 3.365 2.320) 6.169 8.923 ( -0.389 -3.322 2.450) 4.146 9.229 ( -7.168 -3.364 -5.315) 9.537 9.312 ( -12.742 -0.892 -6.074) 14.144 9.416 ( 1.579 7.115 2.382) 7.667 9.551 ( 1.268 -3.751 7.141) 8.165 10.056 ( 3.108 -13.666 -5.773) 15.157 10.273 ( 5.676 -3.561 1.300) 6.826 10.496 ( 2.040 -6.896 4.068) 8.263 10.655 ( -0.541 4.669 0.000) 4.701 10.880 ( -0.276 -4.166 -2.632) 4.935 11.047 ( -1.225 3.077 -2.783) 4.326 11.136 ( 1.167 -0.581 -3.188) 3.444 11.708 ( -1.097 3.880 0.137) 4.034 11.767 ( -9.034 10.123 -0.188) 13.569 12.009 ( 4.085 -8.042 2.475) 9.354 12.074 ( -3.544 -2.201 2.431) 4.828 12.427 ( 0.340 2.254 6.327) 6.725 12.560 ( -2.708 -4.693 6.533) 8.488 13.037 ( 0.080 6.353 -2.070) 6.682 13.154 ( -0.582 0.283 -3.583) 3.641 14.040 ( 0.511 -1.161 1.541) 1.996 14.220 ( 1.911 -7.643 5.997) 9.901 14.603 ( -3.189 2.674 -6.361) 7.601 14.692 ( 1.057 -1.772 -0.008) 2.063 16.054 ( 0.921 0.473 -2.305) 2.527 16.059 ( 2.111 -0.010 -2.009) 2.914 17.118 ( 5.254 -3.640 1.769) 6.632 17.311 ( 5.226 -11.334 0.228) 12.483 18.330 ( -0.924 5.058 -0.069) 5.142 18.508 ( 0.046 -1.354 -3.330) 3.595 19.109 ( -1.805 2.465 4.350) 5.315 19.129 ( -1.633 1.686 5.636) 6.105 19.267 ( 0.817 5.361 1.162) 5.546 19.441 ( 0.883 -1.851 0.687) 2.163 19.604 ( 1.226 8.698 0.332) 8.791 19.862 ( 5.348 -1.144 -2.510) 6.017 20.116 ( -6.273 3.214 -0.788) 7.093 20.335 ( 1.987 -3.974 -5.626) 7.169 20.830 ( 1.239 4.542 0.014) 4.708 21.088 ( -4.166 -7.067 0.165) 8.205 ======================= Grid point 88 (46/90) ======================= q-point: (-0.43 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( -4.599 10.019 -3.069) 11.443 2.665 ( -5.018 8.395 -6.293) 11.630 3.021 ( 2.069 1.718 1.412) 3.037 3.206 ( -0.271 3.932 6.748) 7.814 3.484 ( -2.252 4.636 2.969) 5.948 3.610 ( -2.534 1.585 -0.077) 2.990 3.968 ( -9.479 18.549 1.835) 20.911 4.169 ( 3.866 12.390 -1.252) 13.040 4.244 ( -0.196 11.849 -0.916) 11.885 4.319 ( 4.791 6.317 -2.533) 8.324 4.465 ( -10.032 12.099 4.679) 16.399 4.550 ( 0.531 3.877 3.834) 5.479 4.725 ( -2.124 3.673 5.469) 6.922 4.781 ( 6.890 7.626 -8.120) 13.098 5.098 ( -10.543 16.855 -1.866) 19.968 5.145 ( 4.193 -1.745 -4.020) 6.066 5.427 ( 0.880 3.975 3.774) 5.551 5.522 ( 0.978 -6.556 -6.127) 9.027 5.679 ( 6.892 -10.754 0.674) 12.790 5.845 ( 3.382 -3.505 -2.668) 5.553 5.898 ( -2.729 -6.061 -6.953) 9.619 5.941 ( -3.725 -2.682 10.334) 11.307 6.046 ( -1.993 -8.277 -3.914) 9.370 6.188 ( -1.201 7.509 5.366) 9.307 6.307 ( -2.388 -7.625 3.915) 8.898 6.393 ( -3.185 -2.472 5.509) 6.826 6.510 ( 4.071 -8.821 7.609) 12.340 6.661 ( -6.105 -1.941 4.210) 7.665 6.672 ( 6.371 -2.252 -1.649) 6.956 6.912 ( -11.326 -7.907 1.360) 13.879 6.951 ( 4.158 3.793 3.854) 6.821 7.041 ( 9.213 -5.562 1.361) 10.847 7.210 ( 3.238 -11.820 -1.351) 12.330 7.457 ( 0.424 2.952 2.523) 3.906 7.575 ( 1.862 -5.284 -0.116) 5.604 7.740 ( -1.956 0.400 -3.078) 3.669 7.889 ( -8.952 5.918 -3.022) 11.149 8.014 ( 5.859 -3.076 -1.111) 6.710 8.138 ( 0.715 -6.445 -7.011) 9.550 8.426 ( 4.039 0.803 1.787) 4.489 8.520 ( 2.829 1.085 -2.690) 4.052 8.595 ( -6.868 -0.803 -0.550) 6.936 8.721 ( 0.632 2.845 -5.621) 6.331 8.822 ( 1.477 -0.935 1.871) 2.561 8.897 ( -7.394 -7.803 -2.613) 11.063 9.109 ( 9.160 -0.744 -4.238) 10.120 9.278 ( 4.360 11.117 -6.836) 13.760 9.410 ( -1.574 8.251 -2.436) 8.746 9.595 ( 0.561 -3.937 8.824) 9.678 10.086 ( 2.049 -13.686 -5.898) 15.043 10.347 ( -1.196 0.959 3.059) 3.422 10.549 ( 2.327 -6.782 7.860) 10.640 10.610 ( -1.795 1.830 -2.443) 3.541 10.835 ( -1.716 -6.767 -3.651) 7.878 11.025 ( -0.602 4.088 -4.082) 5.809 11.172 ( 1.686 -1.377 -2.745) 3.504 11.641 ( -0.602 6.947 0.820) 7.021 11.845 ( 11.190 7.499 0.071) 13.471 12.010 ( -1.340 -7.063 2.372) 7.570 12.159 ( 7.763 -4.615 3.274) 9.607 12.439 ( 0.247 0.674 5.509) 5.556 12.523 ( -1.497 -2.473 8.573) 9.047 13.008 ( -2.118 6.286 -3.518) 7.508 13.138 ( -0.828 -0.219 -4.168) 4.255 14.068 ( 1.807 -0.234 3.646) 4.076 14.276 ( 2.412 -7.703 7.064) 10.726 14.499 ( -5.506 5.119 -7.446) 10.581 14.710 ( 0.436 -4.834 -2.078) 5.280 16.042 ( -1.732 1.029 -1.877) 2.753 16.075 ( -0.462 -0.812 -2.316) 2.497 17.126 ( -4.804 -4.503 2.225) 6.950 17.305 ( -5.675 -11.962 -0.448) 13.247 18.321 ( 0.358 5.787 0.105) 5.799 18.531 ( 2.165 -1.699 -3.109) 4.152 19.049 ( -3.707 2.417 1.710) 4.744 19.092 ( -2.493 1.229 4.201) 5.038 19.322 ( 3.714 5.722 4.174) 7.997 19.444 ( -0.789 0.030 1.589) 1.774 19.664 ( 3.743 7.623 1.871) 8.696 19.956 ( 2.462 -4.727 -1.638) 5.576 20.028 ( -0.287 9.754 -2.482) 10.069 20.392 ( 4.128 -5.840 -5.226) 8.858 20.839 ( -0.553 1.589 1.567) 2.299 20.978 ( -5.971 -4.292 -2.632) 7.811 ======================= Grid point 89 (47/90) ======================= q-point: (-0.29 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( -8.424 12.363 -7.490) 16.731 2.614 ( -3.014 7.971 2.104) 8.778 3.102 ( -1.361 8.913 -0.732) 9.046 3.190 ( -7.235 11.036 7.884) 15.372 3.345 ( -0.293 1.067 2.924) 3.127 3.495 ( -6.404 -4.811 -0.936) 8.064 3.744 ( -11.969 1.648 2.344) 12.308 4.023 ( -17.331 3.016 7.377) 19.075 4.130 ( -7.592 23.813 1.007) 25.015 4.270 ( -3.094 12.664 2.650) 13.303 4.360 ( -1.153 -1.294 3.561) 3.960 4.559 ( -0.844 11.909 7.497) 14.097 4.759 ( -0.327 21.494 -1.711) 21.564 4.830 ( -6.305 8.417 -3.428) 11.061 5.069 ( 13.236 7.695 -19.618) 24.885 5.334 ( 14.547 -2.513 -0.939) 14.792 5.466 ( -1.087 2.849 0.692) 3.127 5.533 ( 0.017 -9.136 2.428) 9.453 5.711 ( -5.165 -6.919 0.015) 8.635 5.758 ( -8.178 5.254 2.615) 10.066 5.876 ( -3.839 -2.916 -3.003) 5.680 5.947 ( -0.407 -8.935 -2.363) 9.251 5.988 ( 1.847 8.067 -0.963) 8.332 6.108 ( 2.548 -4.060 -0.265) 4.800 6.340 ( 2.026 1.302 4.536) 5.135 6.374 ( 2.099 -8.358 6.086) 10.550 6.583 ( -4.903 -14.035 -0.606) 14.879 6.641 ( 3.880 0.967 -1.111) 4.151 6.728 ( 8.218 -11.372 3.907) 14.564 6.836 ( 2.393 -2.717 -4.303) 5.624 7.022 ( -0.165 3.010 4.459) 5.383 7.200 ( 5.853 -8.360 2.480) 10.502 7.373 ( 6.077 -6.166 2.413) 8.987 7.432 ( -2.572 -1.831 -1.289) 3.410 7.521 ( -11.138 5.624 1.988) 12.635 7.654 ( -2.956 1.600 -5.072) 6.085 7.923 ( 14.950 -11.284 -1.696) 18.807 8.037 ( -5.085 -4.451 -1.314) 6.884 8.220 ( 9.989 -6.270 2.069) 11.974 8.388 ( -8.424 -6.488 2.624) 10.952 8.452 ( -0.900 -1.574 -0.171) 1.821 8.583 ( 0.293 4.030 -1.726) 4.394 8.676 ( -2.580 -2.202 -5.661) 6.600 8.783 ( 1.002 -4.195 -4.164) 5.995 8.961 ( 4.728 7.578 -0.561) 8.949 9.182 ( -2.022 1.268 -1.774) 2.974 9.365 ( 2.707 7.587 0.796) 8.095 9.526 ( 4.482 -3.289 -2.498) 6.095 9.562 ( 4.557 5.088 -0.024) 6.831 10.133 ( 0.233 -3.800 4.332) 5.767 10.269 ( -2.531 -2.886 -2.174) 4.412 10.573 ( -4.610 -0.512 2.449) 5.245 10.588 ( 2.083 -2.175 2.021) 3.627 10.848 ( 1.210 -6.940 -0.032) 7.045 11.039 ( 4.282 2.057 -8.432) 9.678 11.219 ( 4.654 -3.529 -3.635) 6.880 11.731 ( 6.812 3.043 1.256) 7.565 11.994 ( 0.890 -8.802 3.644) 9.568 12.078 ( 8.433 9.587 -1.332) 12.838 12.311 ( 4.599 1.563 3.992) 6.287 12.464 ( 1.740 -2.704 3.601) 4.828 12.557 ( 3.817 -2.257 11.034) 11.892 12.956 ( -1.536 7.140 -4.293) 8.472 13.101 ( -1.777 -0.005 -4.623) 4.953 14.131 ( 3.568 0.917 5.037) 6.241 14.321 ( -0.471 -6.160 7.575) 9.775 14.372 ( -3.936 6.664 -7.932) 11.082 14.702 ( -0.807 -8.986 -3.982) 9.862 15.988 ( -2.729 0.961 -1.540) 3.277 16.039 ( -2.174 -1.667 -2.286) 3.568 16.939 ( -12.430 -4.055 2.815) 13.375 17.092 ( -13.852 -11.412 -0.770) 17.964 18.345 ( 1.419 6.657 1.616) 6.996 18.581 ( 2.906 -2.359 -3.125) 4.876 18.985 ( -1.772 2.778 -0.715) 3.372 19.049 ( -1.549 -0.054 1.856) 2.418 19.390 ( -0.506 3.666 3.620) 5.177 19.417 ( -0.086 2.027 2.171) 2.971 19.722 ( 0.844 5.869 1.158) 6.041 19.946 ( -1.302 -3.869 2.562) 4.819 20.125 ( 7.787 11.800 -4.721) 14.905 20.491 ( 4.941 -5.192 -0.859) 7.218 20.815 ( -2.102 -1.189 3.085) 3.918 20.854 ( -3.746 -2.075 -7.571) 8.698 ======================= Grid point 90 (48/90) ======================= q-point: (-0.14 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( -5.307 19.752 -0.328) 20.455 2.576 ( -2.925 9.110 6.886) 11.789 2.725 ( -16.712 16.819 0.308) 23.712 3.208 ( -6.054 1.961 4.965) 8.072 3.331 ( -1.115 -3.012 -0.323) 3.228 3.423 ( -2.265 -0.034 3.107) 3.845 3.622 ( 1.295 4.025 -4.582) 6.235 3.728 ( -6.225 1.099 2.459) 6.783 3.994 ( -2.834 19.069 -0.428) 19.283 4.223 ( -1.820 6.230 0.683) 6.526 4.336 ( -2.420 3.728 3.802) 5.849 4.533 ( -2.150 14.402 9.332) 17.295 4.627 ( -7.477 14.034 -2.266) 16.062 4.794 ( -1.415 6.022 -0.700) 6.225 5.098 ( -19.840 10.419 0.194) 22.411 5.239 ( -4.973 15.812 7.612) 18.239 5.568 ( -1.190 2.866 -6.823) 7.496 5.631 ( 9.657 -6.031 3.908) 12.038 5.655 ( -0.920 -0.023 -3.380) 3.503 5.758 ( 8.439 -8.163 -0.524) 11.753 5.819 ( 8.004 -4.036 -4.455) 10.010 5.951 ( 2.651 -12.448 -9.658) 15.977 6.143 ( 8.969 8.526 4.697) 13.236 6.230 ( 7.002 -3.724 1.892) 8.153 6.400 ( 3.201 -4.154 -2.286) 5.721 6.458 ( 1.525 -4.574 0.847) 4.896 6.508 ( 1.553 -13.141 -6.574) 14.775 6.739 ( -1.729 -1.396 -5.317) 5.762 6.796 ( 1.740 -0.707 -2.981) 3.523 6.932 ( 6.064 -10.117 1.927) 11.952 6.994 ( -1.033 -1.246 4.115) 4.422 7.196 ( -9.260 9.200 -1.237) 13.112 7.253 ( -8.580 -0.477 1.144) 8.669 7.314 ( -1.790 -7.780 -1.488) 8.120 7.488 ( -2.043 -9.558 3.842) 10.502 7.644 ( 0.989 -8.583 -2.766) 9.072 8.040 ( 8.450 0.835 3.722) 9.271 8.120 ( -6.160 3.909 -4.124) 8.380 8.273 ( 3.666 -0.719 4.567) 5.900 8.411 ( 3.285 -8.863 0.700) 9.478 8.453 ( -2.564 -8.785 5.350) 10.601 8.518 ( -0.495 -6.871 -3.039) 7.530 8.693 ( 3.449 1.816 1.687) 4.247 8.844 ( 3.709 -0.513 -3.421) 5.072 9.014 ( 3.799 6.348 -3.203) 8.062 9.170 ( 1.654 0.720 3.590) 4.018 9.371 ( -2.493 -2.663 3.277) 4.903 9.559 ( 6.358 -3.433 4.927) 8.745 9.740 ( 4.506 4.825 -6.364) 9.170 10.132 ( 0.805 9.717 5.009) 10.961 10.240 ( -0.590 -12.596 -3.138) 12.995 10.380 ( -11.674 6.168 0.341) 13.208 10.697 ( 3.082 -10.826 1.368) 11.339 10.796 ( -4.716 -9.134 -4.360) 11.166 11.135 ( 5.766 3.191 -9.339) 11.430 11.389 ( 10.234 -3.610 -2.486) 11.134 11.858 ( 4.648 6.057 2.794) 8.130 12.085 ( 6.420 -4.615 2.477) 8.285 12.166 ( 1.163 9.055 -1.955) 9.336 12.339 ( -2.955 3.976 1.420) 5.153 12.530 ( 2.609 -2.224 9.066) 9.692 12.576 ( -3.921 -1.675 4.910) 6.503 13.009 ( 7.105 3.041 -2.013) 7.986 13.075 ( -0.058 1.161 -4.899) 5.035 14.186 ( -1.627 -0.307 3.295) 3.688 14.252 ( -1.202 -2.400 -0.007) 2.684 14.375 ( 1.673 2.997 1.422) 3.716 14.681 ( 0.040 -9.148 -2.794) 9.566 15.949 ( -0.437 0.099 -1.102) 1.190 16.005 ( -0.453 -2.316 -1.647) 2.877 16.666 ( -12.381 -2.510 2.395) 12.858 16.775 ( -14.417 -7.902 -0.348) 16.444 18.365 ( -0.029 7.643 3.378) 8.356 18.632 ( 1.871 -3.136 -2.393) 4.366 18.985 ( 1.789 3.017 -2.120) 4.098 19.054 ( 2.306 -0.882 -0.233) 2.480 19.323 ( -3.724 3.241 -1.371) 5.124 19.417 ( -2.166 -0.598 1.574) 2.744 19.711 ( -1.427 5.600 1.287) 5.920 19.906 ( -3.090 -3.532 -0.111) 4.694 20.309 ( 9.159 11.498 0.514) 14.709 20.524 ( -2.346 0.106 3.943) 4.590 20.731 ( -4.683 -1.099 2.978) 5.658 20.907 ( 8.295 -5.715 -10.102) 14.266 ======================= Grid point 91 (49/90) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( 2.757 -7.745 -4.880) 9.561 2.618 ( 2.757 7.745 -4.880) 9.561 2.805 ( -6.324 -22.801 7.911) 24.949 2.805 ( -6.324 22.801 7.911) 24.949 3.308 ( 0.195 -3.579 9.418) 10.077 3.308 ( 0.195 3.579 9.418) 10.077 3.921 ( 14.936 -7.401 -12.491) 20.830 3.921 ( 14.936 7.401 -12.491) 20.830 4.173 ( -7.663 -12.048 0.344) 14.282 4.173 ( -7.663 12.048 0.344) 14.282 4.270 ( -6.381 -2.529 0.490) 6.881 4.270 ( -6.381 2.529 0.490) 6.881 4.700 ( -8.045 -9.806 7.657) 14.816 4.700 ( -8.045 9.806 7.657) 14.816 5.282 ( -1.418 -22.598 -0.629) 22.651 5.282 ( -1.418 22.598 -0.629) 22.651 5.497 ( -1.050 -11.072 2.540) 11.408 5.497 ( -1.050 11.072 2.540) 11.408 5.835 ( 7.158 -15.596 -2.359) 17.322 5.835 ( 7.158 15.596 -2.359) 17.322 5.957 ( -4.747 -13.498 -2.301) 14.492 5.957 ( -4.747 13.498 -2.301) 14.492 6.275 ( 11.850 -5.126 3.881) 13.482 6.275 ( 11.850 5.126 3.881) 13.482 6.489 ( 5.532 -6.090 0.976) 8.286 6.489 ( 5.532 6.090 0.976) 8.286 6.629 ( 1.415 -14.628 -7.975) 16.720 6.629 ( 1.415 14.628 -7.975) 16.720 6.831 ( -2.292 -3.228 -1.713) 4.313 6.831 ( -2.292 3.228 -1.713) 4.313 6.967 ( 0.208 -10.321 -2.303) 10.577 6.967 ( 0.208 10.321 -2.303) 10.577 7.218 ( -9.237 -10.986 -3.885) 14.870 7.218 ( -9.237 10.986 -3.885) 14.870 7.401 ( 6.335 -9.121 5.086) 12.214 7.401 ( 6.335 9.121 5.086) 12.214 8.078 ( -10.661 -4.152 3.230) 11.888 8.078 ( -10.661 4.152 3.230) 11.888 8.277 ( -5.599 -4.234 -2.251) 7.372 8.277 ( -5.599 4.234 -2.251) 7.372 8.430 ( 9.007 -6.468 5.040) 12.180 8.430 ( 9.007 6.468 5.040) 12.180 8.863 ( 3.714 -5.941 4.739) 8.459 8.863 ( 3.714 5.941 4.739) 8.459 9.219 ( 3.892 -5.854 -3.957) 8.067 9.219 ( 3.892 5.854 -3.957) 8.067 9.438 ( 1.051 -4.131 4.393) 6.121 9.438 ( 1.051 4.131 4.393) 6.121 9.998 ( 3.692 -8.631 -5.766) 11.017 9.998 ( 3.692 8.631 -5.766) 11.017 10.206 ( -13.002 -4.902 0.044) 13.896 10.206 ( -13.002 4.902 0.044) 13.896 10.555 ( 2.075 -11.591 -0.982) 11.816 10.555 ( 2.075 11.591 -0.982) 11.816 11.420 ( 3.949 -6.688 -4.775) 9.117 11.420 ( 3.949 6.688 -4.775) 9.117 12.109 ( -0.779 -7.442 -1.677) 7.669 12.109 ( -0.779 7.442 -1.677) 7.669 12.217 ( -5.393 -1.350 0.474) 5.580 12.217 ( -5.393 1.350 0.474) 5.580 12.536 ( 1.701 -5.879 8.721) 10.654 12.536 ( 1.701 5.879 8.721) 10.654 13.100 ( 0.081 -1.770 -4.327) 4.675 13.100 ( 0.081 1.770 -4.327) 4.675 14.142 ( -1.821 -3.437 1.814) 4.291 14.142 ( -1.821 3.437 1.814) 4.291 14.571 ( 3.574 -7.270 1.903) 8.321 14.571 ( 3.574 7.270 1.903) 8.321 15.960 ( 0.044 -1.185 -0.800) 1.430 15.960 ( 0.044 1.185 -0.800) 1.430 16.526 ( 0.031 -2.144 0.451) 2.191 16.526 ( 0.031 2.144 0.451) 2.191 18.519 ( -0.917 -7.340 0.627) 7.424 18.519 ( -0.917 7.340 0.627) 7.424 19.098 ( 3.479 -2.040 -0.152) 4.036 19.098 ( 3.479 2.040 -0.152) 4.036 19.311 ( -2.058 -1.974 -3.564) 4.565 19.311 ( -2.058 1.974 -3.564) 4.565 19.766 ( -2.838 -3.409 0.308) 4.446 19.766 ( -2.838 3.409 0.308) 4.446 20.490 ( -2.869 -2.540 4.507) 5.915 20.490 ( -2.869 2.540 4.507) 5.915 20.850 ( 4.849 -11.532 -3.596) 13.016 20.850 ( 4.849 11.532 -3.596) 13.016 ======================= Grid point 93 (50/90) ======================= q-point: ( 0.14 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( -1.585 -9.818 -1.091) 10.005 2.577 ( -1.585 9.818 -1.091) 10.005 2.932 ( 12.365 -17.689 1.488) 21.634 2.932 ( 12.365 17.689 1.488) 21.634 3.413 ( 8.618 -5.174 6.815) 12.144 3.413 ( 8.618 5.174 6.815) 12.144 3.924 ( -12.715 -11.413 3.834) 17.511 3.924 ( -12.715 11.413 3.834) 17.511 4.195 ( 3.614 -1.447 0.932) 4.003 4.195 ( 3.614 1.447 0.932) 4.003 4.284 ( 12.712 -7.669 -9.049) 17.387 4.284 ( 12.712 7.669 -9.049) 17.387 4.633 ( 1.681 -8.994 1.149) 9.221 4.633 ( 1.681 8.994 1.149) 9.221 5.249 ( -0.980 -12.974 -2.991) 13.351 5.249 ( -0.980 12.974 -2.991) 13.351 5.505 ( 1.551 -17.114 3.305) 17.499 5.505 ( 1.551 17.114 3.305) 17.499 5.794 ( -7.159 -6.012 -0.679) 9.374 5.794 ( -7.159 6.012 -0.679) 9.374 6.020 ( 5.593 -7.506 1.038) 9.418 6.020 ( 5.593 7.506 1.038) 9.418 6.303 ( -8.913 -8.987 -2.708) 12.944 6.303 ( -8.913 8.987 -2.708) 12.944 6.522 ( -2.793 -7.660 1.558) 8.301 6.522 ( -2.793 7.660 1.558) 8.301 6.586 ( -8.905 -4.935 0.296) 10.185 6.586 ( -8.905 4.935 0.296) 10.185 6.807 ( 6.854 -11.931 -5.549) 14.836 6.807 ( 6.854 11.931 -5.549) 14.836 7.057 ( 4.730 -16.709 6.078) 18.399 7.057 ( 4.730 16.709 6.078) 18.399 7.193 ( 8.774 -6.189 -2.022) 10.926 7.193 ( 8.774 6.189 -2.022) 10.926 7.575 ( 5.649 -4.973 1.389) 7.653 7.575 ( 5.649 4.973 1.389) 7.653 7.858 ( -6.416 -3.563 1.920) 7.586 7.858 ( -6.416 3.563 1.920) 7.586 8.095 ( -9.968 -5.475 -2.244) 11.592 8.095 ( -9.968 5.475 -2.244) 11.592 8.606 ( 5.662 -4.670 4.508) 8.613 8.606 ( 5.662 4.670 4.508) 8.613 8.902 ( -1.054 -3.573 0.581) 3.771 8.902 ( -1.054 3.573 0.581) 3.771 9.206 ( -3.008 -3.995 0.621) 5.039 9.206 ( -3.008 3.995 0.621) 5.039 9.540 ( 6.710 -9.817 1.618) 12.000 9.540 ( 6.710 9.817 1.618) 12.000 9.909 ( -14.881 -1.760 -5.063) 15.817 9.909 ( -14.881 1.760 -5.063) 15.817 10.088 ( 5.179 -6.796 -4.339) 9.584 10.088 ( 5.179 6.796 -4.339) 9.584 10.624 ( 4.682 -8.138 1.770) 9.554 10.624 ( 4.682 8.138 1.770) 9.554 11.365 ( -8.217 -5.049 -5.695) 11.200 11.365 ( -8.217 5.049 -5.695) 11.200 11.969 ( -6.642 -4.870 2.945) 8.747 11.969 ( -6.642 4.870 2.945) 8.747 12.185 ( -1.390 -3.381 -1.672) 4.019 12.185 ( -1.390 3.381 -1.672) 4.019 12.569 ( -1.501 -9.287 7.109) 11.791 12.569 ( -1.501 9.287 7.109) 11.791 13.086 ( 0.708 -3.316 -3.206) 4.666 13.086 ( 0.708 3.316 -3.206) 4.666 14.120 ( -1.223 -3.651 1.625) 4.179 14.120 ( -1.223 3.651 1.625) 4.179 14.629 ( 1.761 -6.085 1.098) 6.430 14.629 ( 1.761 6.085 1.098) 6.430 15.966 ( 1.243 -0.731 -0.945) 1.724 15.966 ( 1.243 0.731 -0.945) 1.724 16.670 ( 11.955 -3.497 0.400) 12.463 16.670 ( 11.955 3.497 0.400) 12.463 18.492 ( -1.489 -6.531 -0.253) 6.704 18.492 ( -1.489 6.531 -0.253) 6.704 19.141 ( 0.550 -1.388 3.125) 3.463 19.141 ( 0.550 1.388 3.125) 3.463 19.312 ( 2.067 -1.406 -3.965) 4.687 19.312 ( 2.067 1.406 -3.965) 4.687 19.718 ( -1.305 -1.648 -0.657) 2.202 19.718 ( -1.305 1.648 -0.657) 2.202 20.411 ( -4.751 -1.570 0.938) 5.091 20.411 ( -4.751 1.570 0.938) 5.091 20.925 ( 2.398 -11.324 -0.588) 11.590 20.925 ( 2.398 11.324 -0.588) 11.590 ======================= Grid point 95 (51/90) ======================= q-point: ( 0.29 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( 4.728 -9.238 -0.853) 10.412 2.615 ( 4.728 9.238 -0.853) 10.412 3.193 ( 11.224 -13.040 -3.367) 17.531 3.193 ( 11.224 13.040 -3.367) 17.531 3.607 ( -5.380 -9.311 5.566) 12.109 3.607 ( -5.380 9.311 5.566) 12.109 3.713 ( 6.425 -12.830 6.916) 15.929 3.713 ( 6.425 12.830 6.916) 15.929 4.269 ( 4.875 -2.170 3.302) 6.276 4.269 ( 4.875 2.170 3.302) 6.276 4.558 ( 12.584 -9.488 -7.280) 17.360 4.558 ( 12.584 9.488 -7.280) 17.360 4.767 ( 8.432 -2.602 -3.657) 9.552 4.767 ( 8.432 2.602 -3.657) 9.552 5.249 ( 0.961 -7.574 -1.277) 7.741 5.249 ( 0.961 7.574 -1.277) 7.741 5.515 ( -5.453 -23.233 -2.178) 23.963 5.515 ( -5.453 23.233 -2.178) 23.963 5.678 ( 0.917 -7.993 6.429) 10.298 5.678 ( 0.917 7.993 6.429) 10.298 5.951 ( -9.261 -6.739 -9.187) 14.682 5.951 ( -9.261 6.739 -9.187) 14.682 6.138 ( -6.430 -5.322 1.668) 8.511 6.138 ( -6.430 5.322 1.668) 8.511 6.340 ( -10.252 -9.222 3.118) 14.137 6.340 ( -10.252 9.222 3.118) 14.137 6.514 ( 0.540 -2.804 5.311) 6.030 6.514 ( 0.540 2.804 5.311) 6.030 6.910 ( -0.463 -12.788 -4.205) 13.470 6.910 ( -0.463 12.788 -4.205) 13.470 7.156 ( 1.472 -4.501 9.683) 10.779 7.156 ( 1.472 4.501 9.683) 10.779 7.305 ( 0.030 -8.790 -2.777) 9.218 7.305 ( 0.030 8.790 -2.777) 9.218 7.617 ( 3.002 -2.241 7.305) 8.210 7.617 ( 3.002 2.241 7.305) 8.210 7.898 ( 0.608 -2.517 -3.665) 4.488 7.898 ( 0.608 2.517 -3.665) 4.488 7.998 ( 9.424 -8.144 -3.667) 12.984 7.998 ( 9.424 8.144 -3.667) 12.984 8.644 ( -2.617 -6.595 2.469) 7.513 8.644 ( -2.617 6.595 2.469) 7.513 8.833 ( -3.554 -5.551 -3.098) 7.283 8.833 ( -3.554 5.551 -3.098) 7.283 9.168 ( -3.146 -11.087 4.254) 12.285 9.168 ( -3.146 11.087 4.254) 12.285 9.535 ( -11.309 -6.147 -5.265) 13.907 9.535 ( -11.309 6.147 -5.265) 13.907 9.689 ( 1.243 -15.373 -6.845) 16.874 9.689 ( 1.243 15.373 -6.845) 16.874 10.215 ( 6.631 -8.883 -0.423) 11.093 10.215 ( 6.631 8.883 -0.423) 11.093 10.731 ( 3.869 -5.982 3.193) 7.807 10.731 ( 3.869 5.982 3.193) 7.807 11.173 ( -6.508 -2.357 -5.304) 8.720 11.173 ( -6.508 2.357 -5.304) 8.720 11.857 ( -4.544 -2.522 3.065) 6.033 11.857 ( -4.544 2.522 3.065) 6.033 12.124 ( -5.127 -4.981 -1.127) 7.237 12.124 ( -5.127 4.981 -1.127) 7.237 12.504 ( -3.446 -6.048 7.184) 10.003 12.504 ( -3.446 6.048 7.184) 10.003 13.124 ( 1.999 -3.663 -2.422) 4.825 13.124 ( 1.999 3.663 -2.422) 4.825 14.088 ( -1.569 -4.071 2.446) 5.002 14.088 ( -1.569 4.071 2.446) 5.002 14.655 ( 0.787 -2.742 -1.344) 3.153 14.655 ( 0.787 2.742 -1.344) 3.153 16.012 ( 2.817 -0.433 -1.209) 3.096 16.012 ( 2.817 0.433 -1.209) 3.096 16.943 ( 12.380 -4.674 -0.077) 13.233 16.943 ( 12.380 4.674 -0.077) 13.233 18.460 ( -1.349 -5.096 -1.037) 5.372 18.460 ( -1.349 5.096 -1.037) 5.372 19.151 ( -0.027 -0.237 4.733) 4.739 19.151 ( -0.027 0.237 4.733) 4.739 19.346 ( 1.084 -3.224 -0.416) 3.427 19.346 ( 1.084 3.224 -0.416) 3.427 19.721 ( 1.675 -3.498 -1.384) 4.118 19.721 ( 1.675 3.498 -1.384) 4.118 20.306 ( -4.730 -1.673 -2.364) 5.546 20.306 ( -4.730 1.673 -2.364) 5.546 20.954 ( 0.481 -9.122 0.356) 9.142 20.954 ( 0.481 9.122 0.356) 9.142 ======================= Grid point 97 (52/90) ======================= q-point: ( 0.43 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( 4.312 -5.555 -0.255) 7.037 2.723 ( 4.312 5.555 -0.255) 7.037 3.263 ( -7.978 -10.419 4.327) 13.817 3.263 ( -7.978 10.419 4.327) 13.817 3.495 ( 4.896 -6.367 -8.003) 11.338 3.495 ( 4.896 6.367 -8.003) 11.338 4.015 ( 14.529 -4.948 6.332) 16.603 4.015 ( 14.529 4.948 6.332) 16.603 4.405 ( 6.728 -4.381 0.934) 8.083 4.405 ( 6.728 4.381 0.934) 8.083 4.753 ( -0.883 -2.857 -5.723) 6.457 4.753 ( -0.883 2.857 -5.723) 6.457 4.797 ( -2.000 -4.985 4.582) 7.060 4.797 ( -2.000 4.985 4.582) 7.060 5.258 ( 0.785 -8.291 2.614) 8.729 5.258 ( 0.785 8.291 2.614) 8.729 5.371 ( -2.586 -12.338 -4.310) 13.323 5.371 ( -2.586 12.338 -4.310) 13.323 5.787 ( -3.540 -8.136 -10.203) 13.522 5.787 ( -3.540 8.136 -10.203) 13.522 5.840 ( 4.497 -1.149 -0.231) 4.647 5.840 ( 4.497 1.149 -0.231) 4.647 6.020 ( -1.104 -8.434 7.226) 11.161 6.020 ( -1.104 8.434 7.226) 11.161 6.197 ( -1.443 -3.022 4.471) 5.586 6.197 ( -1.443 3.022 4.471) 5.586 6.494 ( -5.375 -3.124 8.421) 10.467 6.494 ( -5.375 3.124 8.421) 10.467 6.813 ( -2.173 -3.765 0.203) 4.352 6.813 ( -2.173 3.765 0.203) 4.352 7.133 ( -6.001 -3.416 4.126) 8.044 7.133 ( -6.001 3.416 4.126) 8.044 7.318 ( 1.233 -16.472 -6.981) 17.933 7.318 ( 1.233 16.472 -6.981) 17.933 7.594 ( -3.067 -5.550 4.487) 7.768 7.594 ( -3.067 5.550 4.487) 7.768 7.972 ( 3.758 -2.332 -1.667) 4.727 7.972 ( 3.758 2.332 -1.667) 4.727 8.296 ( 13.092 -12.295 -3.085) 18.223 8.296 ( 13.092 12.295 -3.085) 18.223 8.533 ( -4.805 -4.632 -2.304) 7.061 8.533 ( -4.805 4.632 -2.304) 7.061 8.807 ( 1.721 -4.333 0.796) 4.730 8.807 ( 1.721 4.333 0.796) 4.730 8.970 ( -13.235 -13.161 1.703) 18.742 8.970 ( -13.235 13.161 1.703) 18.742 9.420 ( 0.861 -6.322 -4.325) 7.708 9.420 ( 0.861 6.322 -4.325) 7.708 9.725 ( 1.932 -17.897 -7.718) 19.586 9.725 ( 1.932 17.897 -7.718) 19.586 10.326 ( 3.718 -7.714 3.892) 9.406 10.326 ( 3.718 7.714 3.892) 9.406 10.762 ( -1.038 -5.872 -0.574) 5.990 10.762 ( -1.038 5.872 -0.574) 5.990 11.113 ( 0.020 -2.287 -3.382) 4.083 11.113 ( 0.020 2.287 -3.382) 4.083 11.830 ( 2.634 -7.219 1.526) 7.834 11.830 ( 2.634 7.219 1.526) 7.834 11.970 ( -7.825 -7.401 1.164) 10.834 11.970 ( -7.825 7.401 1.164) 10.834 12.482 ( -0.408 -3.062 7.816) 8.405 12.482 ( -0.408 3.062 7.816) 8.405 13.134 ( -0.546 -2.708 -3.731) 4.642 13.134 ( -0.546 2.708 -3.731) 4.642 14.083 ( 0.840 -4.949 4.588) 6.801 14.083 ( 0.840 4.949 4.588) 6.801 14.653 ( -0.819 -2.121 -3.477) 4.154 14.653 ( -0.819 2.121 -3.477) 4.154 16.060 ( 1.502 -0.076 -1.204) 1.927 16.060 ( 1.502 0.076 -1.204) 1.927 17.131 ( 4.785 -5.115 -0.918) 7.065 17.131 ( 4.785 5.115 -0.918) 7.065 18.440 ( -0.307 -4.860 -1.042) 4.980 18.440 ( -0.307 4.860 -1.042) 4.980 19.140 ( -1.840 -0.608 4.808) 5.184 19.140 ( -1.840 0.608 4.808) 5.184 19.369 ( 1.421 -4.474 1.713) 4.998 19.369 ( 1.421 4.475 1.713) 4.998 19.771 ( 2.750 -6.839 0.207) 7.374 19.771 ( 2.750 6.839 0.207) 7.374 20.229 ( -1.734 -6.135 -4.318) 7.700 20.229 ( -1.734 6.135 -4.318) 7.700 20.946 ( -1.387 -6.470 -0.347) 6.626 20.946 ( -1.387 6.470 -0.347) 6.626 ======================= Grid point 99 (53/90) ======================= q-point: (-0.43 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.736 ( -3.951 -2.526 1.500) 4.923 2.736 ( -3.951 2.526 1.500) 4.923 3.138 ( -0.489 -8.150 -3.372) 8.834 3.138 ( -0.489 8.150 -3.372) 8.834 3.571 ( -0.343 -4.485 -1.521) 4.748 3.571 ( -0.343 4.485 -1.521) 4.748 4.241 ( -1.664 -5.024 7.794) 9.421 4.241 ( -1.664 5.024 7.794) 9.421 4.372 ( -11.410 -9.093 8.224) 16.748 4.372 ( -11.410 9.093 8.224) 16.748 4.565 ( 1.803 -3.403 -7.203) 8.168 4.565 ( 1.803 3.403 -7.203) 8.168 4.901 ( 5.626 -15.547 -0.027) 16.534 4.901 ( 5.626 15.547 -0.027) 16.534 5.296 ( 2.084 -20.161 -7.577) 21.638 5.296 ( 2.084 20.161 -7.577) 21.638 5.372 ( 0.425 -5.901 1.566) 6.120 5.372 ( 0.425 5.901 1.566) 6.120 5.644 ( -5.580 -12.522 -1.893) 13.840 5.644 ( -5.580 12.522 -1.893) 13.840 5.854 ( 0.751 -5.214 -4.701) 7.061 5.854 ( 0.751 5.214 -4.701) 7.061 6.083 ( 1.301 -11.463 8.438) 14.293 6.083 ( 1.301 11.463 8.438) 14.293 6.328 ( 7.230 -4.655 5.974) 10.471 6.328 ( 7.230 4.655 5.974) 10.471 6.475 ( 6.914 -11.701 4.516) 14.321 6.475 ( 6.914 11.701 4.516) 14.321 6.709 ( -13.825 -7.591 1.913) 15.888 6.709 ( -13.825 7.591 1.913) 15.888 7.049 ( 4.568 -4.412 0.271) 6.356 7.049 ( 4.568 4.412 0.271) 6.356 7.332 ( 0.234 -20.081 -10.006) 22.437 7.332 ( 0.234 20.081 -10.006) 22.437 7.568 ( -0.027 -6.994 7.265) 10.084 7.568 ( -0.027 6.994 7.265) 10.084 7.973 ( -2.999 -0.975 -3.049) 4.386 7.973 ( -2.999 0.975 -3.049) 4.386 8.276 ( -5.961 -12.339 0.051) 13.704 8.276 ( -5.961 12.339 0.051) 13.704 8.607 ( 3.059 -3.680 -5.933) 7.623 8.607 ( 3.059 3.680 -5.933) 7.623 8.715 ( -7.005 -3.090 0.337) 7.663 8.715 ( -7.005 3.090 0.337) 7.663 8.969 ( 9.403 -8.886 3.404) 13.378 8.969 ( 9.403 8.886 3.404) 13.378 9.471 ( 2.977 -6.876 -2.334) 7.848 9.471 ( 2.977 6.876 -2.334) 7.848 9.746 ( 2.255 -18.357 -8.500) 20.355 9.746 ( 2.255 18.357 -8.500) 20.355 10.400 ( 1.935 -5.362 6.004) 8.279 10.400 ( 1.935 5.362 6.004) 8.279 10.695 ( -3.227 -5.708 -2.122) 6.892 10.695 ( -3.227 5.708 -2.122) 6.892 11.122 ( 0.615 -3.771 -3.732) 5.342 11.122 ( 0.615 3.771 -3.732) 5.342 11.816 ( -3.275 -9.360 2.318) 10.183 11.816 ( -3.275 9.360 2.318) 10.183 12.018 ( 11.113 -7.711 0.732) 13.545 12.018 ( 11.113 7.711 0.732) 13.545 12.480 ( -0.839 -2.301 8.825) 9.159 12.480 ( -0.839 2.301 8.825) 9.159 13.106 ( -1.325 -3.089 -4.817) 5.874 13.106 ( -1.325 3.089 -4.817) 5.874 14.131 ( 2.790 -5.736 6.543) 9.138 14.131 ( 2.790 5.736 6.543) 9.138 14.606 ( -3.053 -5.172 -5.394) 8.073 14.606 ( -3.053 5.172 -5.394) 8.073 16.061 ( -1.337 -0.696 -1.177) 1.912 16.061 ( -1.337 0.696 -1.177) 1.912 17.125 ( -5.172 -4.677 -1.025) 7.048 17.125 ( -5.172 4.677 -1.025) 7.048 18.448 ( 1.193 -5.742 -0.860) 5.927 18.448 ( 1.193 5.742 -0.860) 5.927 19.089 ( -3.218 -1.300 2.593) 4.333 19.089 ( -3.218 1.300 2.593) 4.333 19.412 ( 1.953 -3.012 4.071) 5.428 19.412 ( 1.953 3.012 4.071) 5.428 19.823 ( 1.847 -7.350 1.216) 7.676 19.823 ( 1.847 7.350 1.216) 7.676 20.236 ( 3.164 -9.153 -4.554) 10.702 20.236 ( 3.164 9.153 -4.554) 10.702 20.894 ( -3.334 -3.608 -1.316) 5.086 20.894 ( -3.334 3.608 -1.316) 5.086 ======================= Grid point 101 (54/90) ======================= q-point: (-0.29 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( -5.060 -7.308 -0.714) 8.917 2.621 ( -5.060 7.308 -0.714) 8.917 3.220 ( 6.953 -6.754 -3.592) 10.337 3.220 ( 6.953 6.754 -3.592) 10.337 3.428 ( -13.241 -3.918 2.508) 14.035 3.428 ( -13.241 3.918 2.508) 14.035 3.889 ( -17.887 -11.561 9.922) 23.496 3.889 ( -17.887 11.561 9.922) 23.496 4.335 ( -2.526 -1.339 9.553) 9.972 4.335 ( -2.526 1.339 9.553) 9.972 4.578 ( -2.844 -13.117 -7.780) 15.514 4.578 ( -2.844 13.117 -7.780) 15.514 5.015 ( 2.692 -6.461 -3.039) 7.631 5.015 ( 2.692 6.461 -3.039) 7.631 5.323 ( 0.094 -15.390 3.709) 15.831 5.323 ( 0.094 15.390 3.709) 15.831 5.412 ( 7.934 -7.324 -11.341) 15.659 5.412 ( 7.934 7.324 -11.341) 15.659 5.582 ( -1.832 -14.759 3.176) 15.207 5.582 ( -1.832 14.759 3.176) 15.207 5.874 ( 0.951 -3.100 -3.376) 4.681 5.874 ( 0.951 3.100 -3.376) 4.681 6.147 ( 0.698 -9.624 6.532) 11.653 6.147 ( 0.698 9.624 6.532) 11.653 6.316 ( -5.473 -12.444 -2.376) 13.800 6.316 ( -5.473 12.444 -2.376) 13.800 6.492 ( 3.650 -10.448 4.234) 11.849 6.492 ( 3.650 10.448 4.234) 11.849 6.704 ( 5.431 -7.586 -2.570) 9.677 6.704 ( 5.431 7.586 -2.570) 9.677 7.151 ( 0.776 -1.887 0.345) 2.070 7.151 ( 0.776 1.887 0.345) 2.070 7.304 ( -0.341 -8.419 -1.553) 8.568 7.304 ( -0.341 8.420 -1.553) 8.568 7.574 ( -2.452 -6.422 3.343) 7.644 7.574 ( -2.452 6.422 3.343) 7.644 7.980 ( 7.165 -8.344 0.014) 10.998 7.980 ( 7.165 8.344 0.014) 10.998 8.187 ( -2.565 -7.711 6.285) 10.274 8.187 ( -2.565 7.711 6.285) 10.274 8.533 ( -5.329 -6.574 -3.928) 9.330 8.533 ( -5.329 6.574 -3.928) 9.330 8.700 ( 2.203 -3.973 -4.298) 6.254 8.700 ( 2.203 3.973 -4.298) 6.254 9.117 ( 3.809 -6.684 0.845) 7.740 9.117 ( 3.809 6.684 0.845) 7.740 9.456 ( -3.472 -2.218 -3.380) 5.329 9.456 ( -3.472 2.218 -3.380) 5.329 9.865 ( 8.082 -17.930 -5.369) 20.387 9.865 ( 8.082 17.930 -5.369) 20.387 10.376 ( -2.411 -9.803 2.739) 10.460 10.376 ( -2.411 9.803 2.739) 10.460 10.694 ( -0.298 -6.535 3.187) 7.277 10.694 ( -0.298 6.535 3.187) 7.277 11.132 ( 2.870 -4.936 -6.658) 8.771 11.132 ( 2.870 4.936 -6.658) 8.771 11.832 ( 4.558 -6.542 3.219) 8.599 11.832 ( 4.558 6.542 3.219) 8.599 12.248 ( 8.673 -6.518 -2.110) 11.052 12.248 ( 8.673 6.518 -2.110) 11.052 12.491 ( 1.276 -3.562 11.138) 11.763 12.491 ( 1.276 3.562 11.138) 11.763 13.069 ( -1.395 -3.473 -4.723) 6.026 13.069 ( -1.395 3.473 -4.723) 6.026 14.200 ( 2.173 -5.201 7.146) 9.102 14.200 ( 2.173 5.201 7.146) 9.102 14.524 ( -3.354 -8.053 -6.488) 10.872 14.524 ( -3.354 8.053 -6.488) 10.872 16.010 ( -2.826 -1.192 -1.185) 3.288 16.010 ( -2.826 1.192 -1.185) 3.288 16.933 ( -12.194 -3.756 -0.236) 12.762 16.933 ( -12.194 3.756 -0.236) 12.762 18.485 ( 2.176 -6.367 -0.495) 6.747 18.485 ( 2.176 6.367 -0.495) 6.747 19.032 ( -1.877 -1.623 0.380) 2.511 19.032 ( -1.877 1.623 0.380) 2.511 19.435 ( -0.826 -0.580 3.576) 3.716 19.435 ( -0.826 0.580 3.576) 3.716 19.843 ( -0.145 -5.658 1.129) 5.771 19.843 ( -0.145 5.658 1.129) 5.771 20.346 ( 7.283 -9.011 -2.086) 11.772 20.346 ( 7.283 9.011 -2.086) 11.772 20.815 ( -3.470 -1.180 -2.299) 4.327 20.815 ( -3.470 1.180 -2.299) 4.327 ======================= Grid point 103 (55/90) ======================= q-point: (-0.14 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( 0.315 -9.056 -2.126) 9.307 2.566 ( 0.315 9.056 -2.126) 9.307 3.078 ( -17.175 -13.667 4.393) 22.385 3.078 ( -17.175 13.667 4.393) 22.385 3.335 ( -0.174 -3.927 6.078) 7.238 3.335 ( -0.174 3.927 6.078) 7.238 3.704 ( 2.592 -3.711 -1.243) 4.694 3.704 ( 2.592 3.711 -1.243) 4.694 4.278 ( -3.688 -4.332 2.639) 6.271 4.278 ( -3.688 4.332 2.639) 6.271 4.443 ( -7.943 -15.581 -4.694) 18.108 4.443 ( -7.943 15.581 -4.694) 18.108 4.915 ( -10.869 -5.862 5.016) 13.328 4.915 ( -10.869 5.862 5.016) 13.328 5.309 ( -1.661 -18.254 5.854) 19.241 5.309 ( -1.661 18.254 5.854) 19.241 5.527 ( -1.529 -9.234 -2.124) 9.598 5.527 ( -1.529 9.234 -2.124) 9.598 5.662 ( 10.933 -4.685 -6.798) 13.700 5.662 ( 10.933 4.685 -6.798) 13.700 5.933 ( 7.180 -14.876 1.991) 16.637 5.933 ( 7.180 14.876 1.991) 16.637 6.110 ( 0.324 -21.042 -7.764) 22.430 6.110 ( 0.324 21.042 -7.764) 22.430 6.363 ( 4.284 -6.518 2.329) 8.140 6.363 ( 4.284 6.518 2.329) 8.140 6.603 ( 4.154 -15.127 2.586) 15.899 6.603 ( 4.154 15.127 2.586) 15.899 6.752 ( 3.205 -2.849 -5.341) 6.849 6.752 ( 3.205 2.849 -5.341) 6.849 7.089 ( -5.128 -7.489 -3.178) 9.617 7.089 ( -5.128 7.489 -3.178) 9.617 7.291 ( -1.148 -6.146 1.683) 6.475 7.291 ( -1.148 6.146 1.683) 6.475 7.472 ( -7.642 -8.882 1.157) 11.774 7.472 ( -7.642 8.882 1.157) 11.774 8.140 ( 4.466 -7.687 9.863) 13.278 8.140 ( 4.466 7.687 9.863) 13.278 8.251 ( 6.503 -6.850 2.722) 9.829 8.251 ( 6.503 6.850 2.722) 9.829 8.402 ( -6.280 -4.183 -4.063) 8.570 8.402 ( -6.280 4.183 -4.063) 8.570 8.764 ( 4.427 -5.194 0.040) 6.825 8.764 ( 4.427 5.194 0.040) 6.825 9.155 ( 1.528 -4.376 -4.973) 6.799 9.155 ( 1.528 4.376 -4.973) 6.799 9.416 ( 0.472 -6.344 3.007) 7.037 9.416 ( 0.472 6.344 3.007) 7.037 9.957 ( 1.737 -13.483 -4.865) 14.439 9.957 ( 1.737 13.483 -4.865) 14.439 10.377 ( -0.449 -11.896 0.019) 11.904 10.377 ( -0.449 11.896 0.019) 11.904 10.587 ( -7.322 -7.770 2.528) 10.971 10.587 ( -7.322 7.770 2.528) 10.971 11.270 ( 9.391 -7.253 -6.790) 13.671 11.270 ( 9.391 7.253 -6.790) 13.671 11.985 ( 8.409 -5.501 2.750) 10.418 11.985 ( 8.409 5.501 2.750) 10.418 12.326 ( -0.762 -5.877 -3.461) 6.863 12.326 ( -0.762 5.877 -3.461) 6.863 12.527 ( -0.847 -3.390 11.309) 11.836 12.527 ( -0.847 3.390 11.309) 11.836 13.068 ( 2.240 -1.981 -4.239) 5.188 13.068 ( 2.240 1.981 -4.239) 5.188 14.200 ( -2.969 -1.984 3.713) 5.152 14.200 ( -2.969 1.984 3.713) 5.152 14.499 ( 2.128 -7.987 -2.129) 8.535 14.499 ( 2.128 7.987 -2.129) 8.535 15.965 ( -0.979 -1.423 -0.927) 1.960 15.965 ( -0.979 1.423 -0.927) 1.960 16.666 ( -11.719 -2.662 0.353) 12.022 16.666 ( -11.719 2.662 0.353) 12.022 18.521 ( 0.855 -7.018 0.483) 7.087 18.521 ( 0.855 7.018 0.483) 7.087 19.031 ( 2.051 -1.531 -1.274) 2.859 19.031 ( 2.051 1.531 -1.274) 2.859 19.384 ( -3.737 -2.436 -0.023) 4.461 19.384 ( -3.737 2.436 -0.023) 4.461 19.820 ( -2.084 -4.839 0.765) 5.324 19.820 ( -2.084 4.839 0.765) 5.324 20.485 ( 3.929 -4.924 3.954) 7.437 20.485 ( 3.929 4.924 3.954) 7.437 20.776 ( 1.222 -5.574 -5.007) 7.591 20.776 ( 1.222 5.574 -5.007) 7.591 ======================= Grid point 126 (56/90) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 8.752 0.000 40.278) 41.218 1.741 ( 4.421 0.000 37.994) 38.250 2.433 ( -7.261 0.000 -14.563) 16.272 2.550 ( -10.458 0.000 -32.510) 34.151 2.728 ( -7.810 0.000 30.932) 31.902 2.920 ( 21.925 0.000 5.445) 22.591 3.042 ( -1.348 0.000 6.238) 6.382 3.195 ( -3.592 0.000 -4.647) 5.873 3.528 ( 4.265 0.000 -2.093) 4.750 3.596 ( -7.104 0.000 -10.998) 13.093 3.834 ( -6.249 0.000 6.102) 8.734 4.010 ( 15.247 0.000 -2.724) 15.488 4.447 ( -2.790 0.000 1.623) 3.227 4.654 ( 1.099 0.000 -3.548) 3.715 5.026 ( -6.124 0.000 -10.352) 12.028 5.051 ( -1.038 0.000 -3.109) 3.277 5.337 ( -16.321 0.000 4.792) 17.010 5.518 ( 15.608 0.000 -5.288) 16.479 5.747 ( -6.551 0.000 2.433) 6.988 5.836 ( 4.995 0.000 -6.846) 8.474 6.094 ( 2.881 0.000 9.235) 9.674 6.239 ( 5.300 0.000 -2.104) 5.702 6.279 ( -18.325 0.000 1.600) 18.394 6.342 ( -0.487 0.000 -6.388) 6.406 6.385 ( -1.013 0.000 -1.980) 2.224 6.514 ( 11.348 0.000 -13.154) 17.373 6.666 ( 7.453 0.000 4.202) 8.556 6.694 ( 3.335 0.000 1.026) 3.489 6.859 ( -0.480 0.000 -4.350) 4.377 6.906 ( -1.139 0.000 -6.863) 6.957 7.271 ( -3.699 0.000 3.411) 5.031 7.368 ( 3.799 0.000 -6.169) 7.245 7.442 ( 0.426 0.000 8.892) 8.902 7.616 ( 0.255 0.000 -3.036) 3.046 7.715 ( -1.991 0.000 -0.617) 2.084 7.753 ( -1.483 0.000 -7.812) 7.951 8.223 ( -14.798 0.000 7.065) 16.398 8.334 ( 12.086 0.000 -3.700) 12.639 8.523 ( 11.785 0.000 7.843) 14.156 8.628 ( -10.385 0.000 -1.545) 10.499 8.816 ( 2.709 0.000 7.568) 8.038 8.879 ( 6.508 0.000 4.413) 7.863 8.977 ( 7.393 0.000 4.425) 8.616 8.984 ( -4.361 0.000 5.315) 6.875 9.278 ( 1.579 0.000 -0.412) 1.632 9.279 ( -5.688 0.000 -4.195) 7.068 9.735 ( 13.495 0.000 6.278) 14.884 9.747 ( -12.584 0.000 1.660) 12.693 9.791 ( 8.631 0.000 -3.516) 9.320 9.954 ( -23.523 0.000 -13.139) 26.944 10.359 ( 6.860 0.000 6.815) 9.670 10.435 ( -7.707 0.000 -0.394) 7.717 10.862 ( 1.355 0.000 4.091) 4.310 10.909 ( -2.132 0.000 1.022) 2.364 11.348 ( 17.786 0.000 2.211) 17.923 11.374 ( 8.330 0.000 3.242) 8.938 11.614 ( -23.412 0.000 -6.312) 24.248 11.683 ( 2.606 0.000 -10.531) 10.848 12.188 ( 5.106 0.000 2.131) 5.533 12.231 ( -5.422 0.000 -2.105) 5.816 12.502 ( 1.919 0.000 6.387) 6.669 12.637 ( -5.029 0.000 -6.165) 7.956 13.119 ( -5.977 0.000 4.637) 7.565 13.172 ( 7.819 0.000 -0.391) 7.828 14.326 ( 5.868 0.000 3.450) 6.807 14.327 ( -4.266 0.000 8.154) 9.202 14.486 ( 4.223 0.000 1.441) 4.462 14.679 ( -10.772 0.000 -11.887) 16.042 16.101 ( -3.191 0.000 -0.239) 3.200 16.112 ( 4.338 0.000 -1.535) 4.601 16.702 ( -6.763 0.000 5.282) 8.581 16.803 ( 1.273 0.000 -4.381) 4.563 18.202 ( 2.348 0.000 1.686) 2.891 18.243 ( 0.319 0.000 -2.203) 2.226 18.863 ( 1.603 0.000 6.388) 6.586 19.007 ( -2.228 0.000 -7.213) 7.549 19.382 ( 4.751 0.000 2.002) 5.156 19.387 ( -1.070 0.000 1.476) 1.823 19.565 ( 5.235 0.000 0.552) 5.264 19.598 ( -12.144 0.000 -2.579) 12.414 20.281 ( 7.749 0.000 0.559) 7.769 20.313 ( -6.840 0.000 -2.177) 7.178 20.888 ( -17.184 0.000 7.870) 18.900 21.036 ( 28.495 0.000 -6.216) 29.165 ======================= Grid point 127 (57/90) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -6.587 0.000 34.064) 34.695 1.935 ( 8.386 0.000 22.600) 24.106 2.310 ( -5.667 0.000 -13.559) 14.696 2.442 ( 7.530 0.000 -29.055) 30.015 3.033 ( 27.383 0.000 21.168) 34.611 3.074 ( 0.243 0.000 2.218) 2.231 3.106 ( 6.966 0.000 0.212) 6.969 3.445 ( -4.620 0.000 -5.567) 7.235 3.449 ( 4.025 0.000 8.943) 9.807 3.715 ( 24.129 0.000 -13.625) 27.710 3.741 ( -1.868 0.000 -0.771) 2.021 4.213 ( 6.959 0.000 8.933) 11.323 4.421 ( 0.593 0.000 17.950) 17.960 4.808 ( -5.128 0.000 4.781) 7.011 4.901 ( -7.024 0.000 -8.666) 11.155 5.002 ( -3.660 0.000 -3.888) 5.340 5.022 ( 5.689 0.000 -11.504) 12.834 5.578 ( -8.301 0.000 -9.010) 12.251 5.742 ( -5.006 0.000 -3.654) 6.198 5.845 ( -17.536 0.000 7.053) 18.901 5.892 ( 11.580 0.000 -4.136) 12.296 6.087 ( -12.631 0.000 0.468) 12.640 6.176 ( 2.632 0.000 3.704) 4.544 6.382 ( 0.871 0.000 1.771) 1.974 6.409 ( 2.539 0.000 -1.848) 3.140 6.630 ( 2.551 0.000 -4.724) 5.369 6.693 ( -2.572 0.000 -4.991) 5.615 6.764 ( 4.693 0.000 -5.592) 7.300 6.914 ( 2.697 0.000 -2.451) 3.644 7.041 ( 9.684 0.000 -12.959) 16.178 7.268 ( 0.870 0.000 8.380) 8.425 7.521 ( 5.713 0.000 3.966) 6.955 7.522 ( 9.721 0.000 -4.556) 10.736 7.573 ( -3.510 0.000 -1.531) 3.830 7.654 ( -4.578 0.000 2.450) 5.192 7.753 ( 2.497 0.000 -0.020) 2.497 7.929 ( -11.460 0.000 2.068) 11.645 8.347 ( -13.650 0.000 -5.133) 14.583 8.440 ( -6.774 0.000 4.387) 8.071 8.655 ( -2.465 0.000 9.126) 9.453 8.658 ( -6.898 0.000 -2.156) 7.227 8.873 ( -2.916 0.000 -3.026) 4.202 9.070 ( -10.089 0.000 4.431) 11.019 9.099 ( 10.249 0.000 1.892) 10.422 9.187 ( -4.961 0.000 -12.123) 13.098 9.269 ( -1.365 0.000 -0.980) 1.681 9.465 ( -4.010 0.000 7.358) 8.380 9.620 ( -4.599 0.000 3.874) 6.013 9.989 ( 10.386 0.000 1.944) 10.566 10.067 ( 4.862 0.000 5.784) 7.556 10.303 ( 3.167 0.000 4.210) 5.268 10.318 ( -12.512 0.000 9.433) 15.670 10.817 ( -4.621 0.000 0.090) 4.622 10.884 ( -1.179 0.000 9.991) 10.061 11.053 ( -11.246 0.000 -3.832) 11.881 11.408 ( -14.763 0.000 -17.128) 22.612 11.548 ( -1.526 0.000 -4.363) 4.622 11.847 ( 13.808 0.000 5.452) 14.846 12.193 ( 0.912 0.000 -0.614) 1.100 12.352 ( 5.661 0.000 -0.448) 5.679 12.490 ( -7.814 0.000 -4.123) 8.835 12.512 ( -2.358 0.000 10.960) 11.211 12.973 ( -1.513 0.000 -0.405) 1.566 13.184 ( -5.965 0.000 -4.427) 7.428 14.204 ( -3.826 0.000 0.159) 3.829 14.388 ( -0.534 0.000 5.593) 5.618 14.542 ( -0.042 0.000 -7.828) 7.828 14.725 ( 11.592 0.000 10.268) 15.486 15.953 ( -5.508 0.000 -0.901) 5.582 16.051 ( -4.615 0.000 -2.762) 5.379 16.951 ( 22.643 0.000 11.669) 25.473 17.162 ( 22.035 0.000 -2.044) 22.129 18.281 ( 3.693 0.000 -3.232) 4.908 18.297 ( 6.635 0.000 -3.160) 7.349 18.881 ( -0.542 0.000 6.906) 6.927 18.920 ( -5.385 0.000 -6.618) 8.532 19.297 ( -7.813 0.000 -1.254) 7.913 19.400 ( -5.145 0.000 4.011) 6.523 19.403 ( -2.538 0.000 -1.327) 2.864 19.710 ( 6.783 0.000 3.982) 7.866 20.198 ( -3.466 0.000 -4.083) 5.356 20.455 ( 7.499 0.000 -0.009) 7.499 20.530 ( -14.239 0.000 1.255) 14.295 21.438 ( 10.172 0.000 -13.901) 17.225 ======================= Grid point 128 (58/90) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 8.377 0.000 6.702) 10.728 2.025 ( -3.122 0.000 -9.141) 9.660 2.334 ( 7.848 0.000 24.396) 25.627 2.614 ( 12.448 0.000 -32.263) 34.581 3.122 ( -0.339 0.000 4.932) 4.944 3.205 ( 5.336 0.000 -0.332) 5.347 3.404 ( 4.050 0.000 1.234) 4.234 3.425 ( 2.339 0.000 15.180) 15.359 3.617 ( 14.989 0.000 2.189) 15.148 3.770 ( 4.576 0.000 -11.436) 12.317 4.101 ( 7.013 0.000 -7.248) 10.085 4.256 ( -24.000 0.000 16.002) 28.845 4.589 ( 14.992 0.000 9.231) 17.606 4.646 ( 18.133 0.000 39.291) 43.273 4.864 ( 4.139 0.000 -17.380) 17.866 4.864 ( -8.075 0.000 -8.385) 11.641 5.216 ( -10.047 0.000 -23.502) 25.560 5.461 ( -16.311 0.000 4.570) 16.939 5.480 ( 11.968 0.000 -1.113) 12.020 5.764 ( 10.110 0.000 1.748) 10.260 5.856 ( -6.576 0.000 -8.685) 10.894 6.159 ( 5.904 0.000 -5.460) 8.042 6.220 ( 1.344 0.000 -5.922) 6.073 6.428 ( 3.322 0.000 10.985) 11.476 6.432 ( 1.190 0.000 -1.497) 1.913 6.581 ( -2.729 0.000 -8.697) 9.115 6.724 ( 6.873 0.000 0.033) 6.873 6.766 ( -6.048 0.000 4.218) 7.374 6.953 ( 0.498 0.000 -5.391) 5.414 7.180 ( 7.556 0.000 -13.591) 15.551 7.283 ( -1.374 0.000 9.083) 9.186 7.424 ( -12.492 0.000 4.286) 13.207 7.523 ( -4.599 0.000 2.379) 5.178 7.645 ( -0.504 0.000 -7.107) 7.125 7.689 ( 7.591 0.000 2.449) 7.977 7.821 ( -1.571 0.000 5.007) 5.248 7.906 ( 14.647 0.000 1.477) 14.721 8.026 ( -15.298 0.000 -1.690) 15.391 8.203 ( -11.724 0.000 7.590) 13.967 8.441 ( -15.033 0.000 6.566) 16.404 8.639 ( 1.983 0.000 0.981) 2.213 8.698 ( -9.424 0.000 -6.214) 11.288 8.942 ( -8.874 0.000 0.231) 8.877 9.009 ( 0.296 0.000 -8.033) 8.039 9.233 ( -2.182 0.000 -0.940) 2.376 9.284 ( 6.489 0.000 -8.502) 10.696 9.363 ( -8.063 0.000 9.534) 12.486 9.770 ( 9.276 0.000 12.199) 15.325 9.915 ( -11.677 0.000 -5.895) 13.080 10.109 ( -3.463 0.000 7.603) 8.355 10.179 ( 6.518 0.000 -0.540) 6.540 10.529 ( 7.093 0.000 10.298) 12.504 10.770 ( 0.400 0.000 5.948) 5.962 10.850 ( -1.865 0.000 12.080) 12.223 10.973 ( -19.352 0.000 -21.028) 28.578 10.989 ( 0.363 0.000 -3.685) 3.703 11.463 ( -3.604 0.000 -3.573) 5.075 11.961 ( -5.954 0.000 -6.333) 8.692 12.163 ( -3.165 0.000 3.570) 4.771 12.285 ( -10.349 0.000 1.648) 10.480 12.426 ( 3.500 0.000 3.349) 4.845 12.513 ( 2.789 0.000 8.958) 9.382 13.024 ( -5.749 0.000 -8.097) 9.930 13.065 ( 5.612 0.000 -8.516) 10.199 14.195 ( 3.329 0.000 -2.508) 4.168 14.444 ( 5.924 0.000 0.931) 5.996 14.536 ( -1.456 0.000 4.583) 4.809 14.908 ( 4.068 0.000 7.443) 8.482 15.904 ( 0.416 0.000 -2.421) 2.456 16.002 ( -0.479 0.000 -3.252) 3.287 17.437 ( 18.691 0.000 17.554) 25.641 17.540 ( 13.914 0.000 1.545) 13.999 18.392 ( 7.274 0.000 -3.727) 8.173 18.430 ( 5.164 0.000 -6.275) 8.127 18.763 ( -8.255 0.000 -5.786) 10.081 18.871 ( -0.686 0.000 5.926) 5.965 19.134 ( -7.244 0.000 3.471) 8.033 19.316 ( -4.509 0.000 -3.418) 5.658 19.356 ( 0.297 0.000 2.208) 2.228 19.780 ( -0.928 0.000 -2.252) 2.435 20.162 ( 0.580 0.000 -5.658) 5.688 20.290 ( -6.490 0.000 -1.522) 6.666 20.671 ( 10.694 0.000 5.317) 11.943 21.476 ( -3.346 0.000 -10.112) 10.652 ======================= Grid point 129 (59/90) ======================= q-point: ( 0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -8.447 0.000 1.084) 8.516 2.008 ( 10.174 0.000 -17.720) 20.433 2.510 ( 0.368 0.000 21.798) 21.801 2.842 ( 12.136 0.000 -27.962) 30.482 3.074 ( 1.122 0.000 8.406) 8.481 3.315 ( 0.661 0.000 0.145) 0.676 3.550 ( 12.302 0.000 -1.870) 12.444 3.653 ( 7.014 0.000 16.411) 17.847 3.734 ( -18.530 0.000 15.880) 24.403 3.817 ( 5.076 0.000 7.580) 9.122 3.884 ( 11.627 0.000 -5.867) 13.023 4.107 ( -3.084 0.000 -1.008) 3.245 4.538 ( -16.925 0.000 -9.241) 19.283 4.625 ( -12.921 0.000 -15.060) 19.843 5.020 ( -6.321 0.000 18.647) 19.690 5.095 ( 9.666 0.000 -3.860) 10.409 5.108 ( 11.905 0.000 -11.107) 16.282 5.338 ( 12.108 0.000 3.472) 12.596 5.659 ( 4.434 0.000 4.423) 6.263 5.710 ( -5.289 0.000 -8.555) 10.058 6.097 ( 12.694 0.000 -4.864) 13.594 6.151 ( -4.302 0.000 -1.754) 4.646 6.220 ( 4.068 0.000 -8.845) 9.736 6.269 ( -15.510 0.000 11.993) 19.606 6.569 ( 7.698 0.000 2.917) 8.233 6.656 ( 0.556 0.000 0.187) 0.586 6.759 ( 7.881 0.000 5.966) 9.884 6.869 ( 4.528 0.000 2.470) 5.158 6.978 ( 6.592 0.000 -12.170) 13.840 7.013 ( -22.518 0.000 8.822) 24.185 7.195 ( -6.797 0.000 -0.757) 6.839 7.286 ( 2.833 0.000 -12.914) 13.221 7.501 ( 1.422 0.000 6.495) 6.649 7.634 ( 1.445 0.000 -3.998) 4.251 7.758 ( -4.578 0.000 0.208) 4.582 7.759 ( -7.766 0.000 3.755) 8.626 7.883 ( 9.815 0.000 2.667) 10.171 8.034 ( -4.119 0.000 8.670) 9.598 8.164 ( -11.386 0.000 0.342) 11.391 8.247 ( 12.151 0.000 -3.673) 12.694 8.597 ( 4.624 0.000 -0.732) 4.682 8.711 ( 4.056 0.000 3.564) 5.400 8.867 ( 1.577 0.000 4.981) 5.225 8.971 ( -3.356 0.000 -4.382) 5.520 9.138 ( -7.768 0.000 -1.282) 7.873 9.265 ( -10.533 0.000 -16.040) 19.189 9.272 ( -0.495 0.000 14.771) 14.780 9.667 ( -6.791 0.000 -11.370) 13.243 9.918 ( 4.494 0.000 8.460) 9.579 10.167 ( 4.934 0.000 7.576) 9.041 10.203 ( -4.594 0.000 -6.188) 7.707 10.437 ( -9.444 0.000 -3.855) 10.200 10.793 ( 2.992 0.000 8.441) 8.955 10.813 ( -4.170 0.000 8.939) 9.864 10.879 ( 6.234 0.000 -6.499) 9.006 11.002 ( 1.478 0.000 -3.844) 4.118 11.463 ( 4.595 0.000 -0.525) 4.625 11.708 ( -12.892 0.000 -4.956) 13.812 12.087 ( -6.721 0.000 3.906) 7.773 12.130 ( -0.586 0.000 -1.899) 1.988 12.532 ( 4.329 0.000 6.802) 8.063 12.597 ( 3.605 0.000 7.872) 8.658 12.968 ( 1.067 0.000 -7.268) 7.346 13.062 ( -4.925 0.000 -12.470) 13.407 14.326 ( 8.399 0.000 -3.324) 9.033 14.415 ( -7.108 0.000 2.365) 7.491 14.672 ( 10.923 0.000 6.974) 12.959 14.908 ( -4.381 0.000 2.952) 5.283 15.935 ( 2.283 0.000 -3.069) 3.825 15.986 ( -1.126 0.000 -3.649) 3.819 17.712 ( 5.137 0.000 15.628) 16.451 17.779 ( 9.246 0.000 3.541) 9.901 18.465 ( -0.456 0.000 -5.083) 5.104 18.499 ( -1.520 0.000 -5.904) 6.097 18.668 ( 5.079 0.000 -0.315) 5.089 18.847 ( -4.309 0.000 0.387) 4.326 19.030 ( -1.706 0.000 7.215) 7.414 19.227 ( -3.258 0.000 -5.620) 6.496 19.417 ( 4.686 0.000 3.868) 6.076 19.691 ( -5.936 0.000 -7.656) 9.688 20.196 ( -3.540 0.000 0.561) 3.584 20.197 ( 3.116 0.000 -6.597) 7.295 20.912 ( 10.794 0.000 9.029) 14.072 21.321 ( -9.703 0.000 -6.965) 11.945 ======================= Grid point 130 (60/90) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -3.688 0.000 7.046) 7.953 2.061 ( -4.032 0.000 -16.513) 16.998 2.348 ( -15.333 0.000 16.990) 22.886 2.978 ( 0.409 0.000 -21.819) 21.823 3.212 ( 6.512 0.000 8.027) 10.337 3.248 ( -1.427 0.000 -7.229) 7.369 3.377 ( -8.691 0.000 18.965) 20.861 3.715 ( 1.969 0.000 10.674) 10.854 3.727 ( -9.073 0.000 -1.672) 9.226 4.049 ( -7.845 0.000 0.928) 7.899 4.067 ( -4.619 0.000 -6.828) 8.243 4.168 ( 24.463 0.000 -0.739) 24.474 4.283 ( 6.974 0.000 -5.587) 8.936 4.446 ( 5.462 0.000 -4.674) 7.189 4.761 ( -18.411 0.000 18.596) 26.169 5.272 ( 11.241 0.000 -6.142) 12.809 5.293 ( -14.815 0.000 -10.649) 18.245 5.421 ( 14.378 0.000 0.476) 14.386 5.656 ( -4.897 0.000 -11.371) 12.381 5.776 ( 2.011 0.000 -1.901) 2.768 5.930 ( -12.157 0.000 7.916) 14.507 6.036 ( -5.476 0.000 4.845) 7.312 6.120 ( -1.890 0.000 0.844) 2.070 6.412 ( 0.258 0.000 0.929) 0.964 6.492 ( -9.748 0.000 4.442) 10.713 6.671 ( 7.863 0.000 -3.596) 8.646 6.796 ( 0.730 0.000 3.669) 3.741 6.829 ( -9.126 0.000 1.430) 9.238 6.923 ( 1.240 0.000 4.117) 4.300 6.965 ( -2.476 0.000 13.032) 13.265 7.316 ( 3.180 0.000 -9.792) 10.296 7.351 ( 14.971 0.000 -17.379) 22.938 7.506 ( -2.168 0.000 2.982) 3.687 7.643 ( -3.122 0.000 -8.248) 8.819 7.700 ( 2.343 0.000 4.468) 5.045 7.705 ( 1.212 0.000 11.031) 11.097 7.983 ( -4.234 0.000 -4.894) 6.471 8.088 ( 8.588 0.000 5.004) 9.939 8.164 ( 15.585 0.000 -0.164) 15.586 8.325 ( 1.868 0.000 -16.006) 16.115 8.721 ( -13.888 0.000 -4.974) 14.752 8.804 ( -4.430 0.000 -5.233) 6.856 8.852 ( -6.227 0.000 -0.653) 6.261 8.896 ( 11.292 0.000 18.219) 21.434 8.988 ( -9.268 0.000 -3.770) 10.005 9.038 ( 6.128 0.000 9.007) 10.894 9.415 ( 14.680 0.000 12.908) 19.548 9.643 ( 3.621 0.000 -18.322) 18.676 10.019 ( 4.725 0.000 10.430) 11.450 10.067 ( -4.956 0.000 -5.797) 7.627 10.276 ( 4.611 0.000 9.065) 10.170 10.304 ( -4.963 0.000 -5.025) 7.062 10.697 ( -6.804 0.000 5.026) 8.459 10.834 ( -0.115 0.000 12.026) 12.026 11.026 ( 0.652 0.000 -6.018) 6.053 11.027 ( 6.986 0.000 -11.167) 13.172 11.498 ( -5.672 0.000 -3.770) 6.811 11.635 ( 10.476 0.000 2.212) 10.707 12.060 ( 3.601 0.000 4.345) 5.643 12.164 ( 4.957 0.000 -3.120) 5.858 12.591 ( 0.624 0.000 4.715) 4.756 12.676 ( 3.072 0.000 5.414) 6.225 12.863 ( -11.167 0.000 -9.950) 14.957 13.015 ( 2.778 0.000 -4.221) 5.053 14.249 ( -7.932 0.000 3.626) 8.721 14.470 ( 3.653 0.000 -2.330) 4.333 14.768 ( -7.233 0.000 -1.685) 7.427 14.892 ( 8.245 0.000 4.308) 9.303 15.943 ( -2.161 0.000 -3.452) 4.073 15.972 ( 1.376 0.000 -2.923) 3.231 17.706 ( -6.617 0.000 9.879) 11.890 17.934 ( 4.284 0.000 -0.911) 4.380 18.421 ( -3.116 0.000 -1.625) 3.514 18.436 ( -2.207 0.000 -2.286) 3.178 18.688 ( -7.897 0.000 -3.147) 8.501 18.853 ( 8.858 0.000 0.080) 8.858 19.078 ( 4.059 0.000 8.757) 9.652 19.169 ( -1.005 0.000 -5.971) 6.055 19.540 ( 6.068 0.000 6.641) 8.995 19.543 ( -6.512 0.000 -8.090) 10.386 20.131 ( -2.524 0.000 0.571) 2.588 20.255 ( 2.817 0.000 -6.415) 7.006 21.069 ( -13.204 0.000 -5.586) 14.337 21.120 ( 7.197 0.000 11.669) 13.710 ======================= Grid point 131 (61/90) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 2.967 0.000 17.587) 17.835 1.820 ( -15.768 0.000 6.385) 17.012 2.052 ( -9.046 0.000 8.342) 12.305 2.818 ( -8.934 0.000 -18.316) 20.378 3.238 ( -3.358 0.000 -4.993) 6.017 3.290 ( 2.146 0.000 0.202) 2.155 3.383 ( 3.210 0.000 2.628) 4.149 3.475 ( -11.829 0.000 7.210) 13.853 3.749 ( 2.402 0.000 -10.548) 10.818 3.768 ( -14.654 0.000 -7.828) 16.614 3.839 ( -14.651 0.000 8.318) 16.847 4.227 ( -31.196 0.000 35.224) 47.053 4.547 ( 7.437 0.000 12.817) 14.819 4.652 ( 17.926 0.000 -10.803) 20.929 4.681 ( 10.197 0.000 7.883) 12.889 5.123 ( 8.534 0.000 -16.190) 18.301 5.423 ( -13.105 0.000 -24.541) 27.821 5.510 ( -12.041 0.000 -8.462) 14.717 5.540 ( 13.419 0.000 -3.303) 13.819 5.681 ( 9.311 0.000 -1.823) 9.488 5.973 ( 3.031 0.000 -11.468) 11.862 6.025 ( 5.441 0.000 9.964) 11.353 6.050 ( -8.520 0.000 3.739) 9.304 6.298 ( -3.096 0.000 16.807) 17.090 6.413 ( -0.332 0.000 0.632) 0.714 6.609 ( -3.971 0.000 -1.357) 4.197 6.722 ( -7.408 0.000 1.367) 7.533 6.846 ( -0.938 0.000 -2.702) 2.861 6.925 ( -0.213 0.000 1.105) 1.125 6.976 ( -1.499 0.000 2.952) 3.311 7.422 ( 7.017 0.000 -3.491) 7.837 7.459 ( 3.159 0.000 4.855) 5.792 7.552 ( -5.070 0.000 -2.924) 5.853 7.584 ( 8.201 0.000 -5.625) 9.945 7.693 ( -6.696 0.000 9.535) 11.652 7.766 ( 2.761 0.000 -4.361) 5.162 8.002 ( 6.528 0.000 -0.866) 6.586 8.140 ( -10.114 0.000 -11.135) 15.042 8.386 ( 5.789 0.000 -9.063) 10.754 8.507 ( 16.560 0.000 0.956) 16.587 8.557 ( 8.919 0.000 3.272) 9.500 8.683 ( -5.823 0.000 -2.785) 6.454 8.779 ( -3.229 0.000 6.191) 6.982 8.959 ( 4.966 0.000 4.417) 6.646 9.015 ( -0.759 0.000 13.227) 13.249 9.180 ( 7.085 0.000 7.201) 10.102 9.699 ( 2.725 0.000 -19.386) 19.577 9.787 ( 13.467 0.000 6.808) 15.089 9.966 ( -7.079 0.000 -6.598) 9.677 10.114 ( 0.009 0.000 5.782) 5.782 10.243 ( 3.777 0.000 -4.609) 5.960 10.481 ( 16.275 0.000 24.447) 29.370 10.590 ( -2.794 0.000 2.088) 3.488 10.836 ( -1.210 0.000 11.123) 11.188 10.978 ( -4.666 0.000 -10.274) 11.283 11.113 ( 3.249 0.000 -13.198) 13.592 11.467 ( 2.651 0.000 -3.730) 4.576 11.859 ( 9.432 0.000 3.750) 10.150 12.191 ( 6.226 0.000 0.887) 6.289 12.307 ( 6.673 0.000 -0.525) 6.693 12.592 ( -9.897 0.000 -13.006) 16.344 12.611 ( 2.671 0.000 -1.030) 2.863 12.801 ( 6.840 0.000 12.621) 14.355 13.017 ( -2.533 0.000 -2.863) 3.823 14.145 ( -1.462 0.000 2.405) 2.814 14.401 ( -7.974 0.000 2.195) 8.270 14.690 ( -0.964 0.000 -6.363) 6.436 14.993 ( 0.617 0.000 -0.509) 0.800 15.910 ( 0.028 0.000 -2.672) 2.672 15.984 ( 0.377 0.000 -2.179) 2.211 17.481 ( -15.829 0.000 7.143) 17.366 17.860 ( -13.651 0.000 -20.289) 24.454 18.288 ( -9.010 0.000 4.478) 10.061 18.352 ( -3.903 0.000 0.833) 3.991 18.669 ( 5.312 0.000 2.764) 5.988 18.977 ( 3.491 0.000 -3.731) 5.110 19.203 ( 4.177 0.000 -3.320) 5.336 19.209 ( 7.210 0.000 7.092) 10.114 19.434 ( -1.957 0.000 -5.457) 5.798 19.690 ( 7.670 0.000 7.062) 10.426 20.103 ( 0.152 0.000 0.306) 0.342 20.286 ( 1.142 0.000 -3.173) 3.372 20.773 ( -13.834 0.000 -3.890) 14.370 21.222 ( 0.502 0.000 13.554) 13.564 ======================= Grid point 132 (62/90) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -5.269 0.000 31.594) 32.031 1.708 ( -6.404 0.000 38.435) 38.964 2.263 ( 23.334 0.000 -13.056) 26.738 2.621 ( -7.567 0.000 -18.018) 19.542 3.076 ( -19.589 0.000 -6.114) 20.521 3.078 ( -12.038 0.000 6.231) 13.555 3.270 ( -31.624 0.000 30.943) 44.244 3.321 ( -4.633 0.000 0.377) 4.649 3.490 ( -1.322 0.000 -11.643) 11.718 3.662 ( 13.376 0.000 3.609) 13.854 3.738 ( -3.798 0.000 -14.751) 15.232 3.932 ( -4.959 0.000 17.642) 18.326 4.524 ( -4.657 0.000 -0.470) 4.681 4.756 ( -4.833 0.000 3.378) 5.896 4.983 ( 10.825 0.000 12.987) 16.907 5.153 ( -6.453 0.000 -21.876) 22.808 5.297 ( 3.646 0.000 -22.137) 22.436 5.563 ( 19.725 0.000 -17.069) 26.086 5.642 ( -10.988 0.000 3.890) 11.656 5.789 ( 1.603 0.000 0.501) 1.679 5.953 ( 7.063 0.000 7.731) 10.471 6.075 ( 9.591 0.000 -9.520) 13.514 6.208 ( 10.664 0.000 1.062) 10.716 6.370 ( 3.048 0.000 11.635) 12.028 6.379 ( -3.322 0.000 0.777) 3.412 6.589 ( -1.975 0.000 -4.743) 5.138 6.627 ( -0.667 0.000 1.115) 1.299 6.660 ( -10.075 0.000 1.437) 10.177 6.910 ( -1.321 0.000 -1.724) 2.172 6.943 ( -1.295 0.000 -1.140) 1.725 7.412 ( -5.728 0.000 -5.624) 8.028 7.442 ( -9.165 0.000 3.112) 9.679 7.480 ( -6.316 0.000 5.686) 8.498 7.566 ( 4.736 0.000 0.631) 4.778 7.768 ( -0.349 0.000 -2.535) 2.559 7.786 ( 0.109 0.000 -10.344) 10.344 8.038 ( 10.989 0.000 -5.980) 12.511 8.229 ( 13.556 0.000 6.543) 15.053 8.456 ( -5.439 0.000 2.067) 5.818 8.632 ( 7.425 0.000 0.698) 7.457 8.722 ( 3.061 0.000 3.046) 4.318 8.737 ( 1.892 0.000 7.206) 7.450 8.886 ( 11.631 0.000 13.253) 17.633 8.985 ( -2.683 0.000 8.881) 9.277 9.138 ( 10.862 0.000 0.967) 10.905 9.309 ( 3.426 0.000 -2.333) 4.145 9.695 ( -1.533 0.000 -14.046) 14.129 9.743 ( -8.031 0.000 -6.115) 10.094 9.945 ( -3.839 0.000 6.604) 7.639 10.087 ( 5.709 0.000 0.952) 5.788 10.447 ( 9.701 0.000 -2.600) 10.044 10.453 ( -12.547 0.000 -4.541) 13.343 10.837 ( 2.468 0.000 10.454) 10.742 10.856 ( -2.398 0.000 -6.098) 6.553 10.976 ( 21.983 0.000 24.366) 32.817 11.148 ( 2.469 0.000 -10.723) 11.004 11.572 ( 7.150 0.000 -5.928) 9.288 11.957 ( -2.546 0.000 -3.897) 4.655 12.237 ( -5.074 0.000 -3.776) 6.325 12.347 ( -3.030 0.000 0.114) 3.032 12.439 ( -0.004 0.000 -1.048) 1.048 12.700 ( 1.952 0.000 -6.566) 6.850 12.986 ( 4.535 0.000 -1.599) 4.808 13.032 ( 11.167 0.000 9.874) 14.906 14.195 ( 5.250 0.000 0.935) 5.333 14.290 ( -1.307 0.000 8.528) 8.627 14.615 ( -6.301 0.000 -8.526) 10.602 14.908 ( -8.040 0.000 -6.609) 10.408 15.964 ( 5.886 0.000 -1.953) 6.201 16.018 ( 4.296 0.000 0.019) 4.296 17.075 ( -22.523 0.000 6.190) 23.358 17.288 ( -33.515 0.000 -22.118) 40.156 18.192 ( -1.852 0.000 5.728) 6.020 18.273 ( -2.937 0.000 -0.560) 2.990 18.792 ( 4.537 0.000 5.339) 7.006 19.026 ( 1.524 0.000 -6.426) 6.604 19.274 ( 3.661 0.000 0.368) 3.679 19.352 ( 4.411 0.000 3.423) 5.583 19.470 ( 4.482 0.000 -2.680) 5.222 19.796 ( -2.565 0.000 -4.122) 4.855 20.150 ( 4.360 0.000 0.435) 4.381 20.411 ( 10.040 0.000 5.219) 11.316 20.540 ( -1.216 0.000 0.338) 1.262 21.156 ( -8.905 0.000 13.331) 16.031 ======================= Grid point 133 (63/90) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 13.944 7.735 33.490) 37.092 1.951 ( -10.926 12.212 33.214) 37.036 2.394 ( -14.069 -0.554 -15.942) 21.269 2.721 ( 13.376 8.535 -29.313) 33.332 2.860 ( 2.409 10.554 9.294) 14.268 2.953 ( -3.687 9.488 8.197) 13.069 3.241 ( -0.282 13.822 6.864) 15.435 3.365 ( 2.387 15.554 -2.748) 15.974 3.560 ( 2.168 5.137 4.877) 7.408 3.714 ( -4.939 8.659 -5.276) 11.279 3.916 ( -6.017 9.098 10.363) 15.046 4.105 ( 12.223 9.759 -0.417) 15.646 4.492 ( -0.791 4.450 2.339) 5.089 4.696 ( 3.435 2.600 0.537) 4.341 4.886 ( 1.583 -10.855 2.964) 11.363 4.983 ( -9.345 -4.788 -12.159) 16.066 5.396 ( -16.310 5.058 -0.985) 17.105 5.560 ( 11.872 3.433 -7.964) 14.703 5.715 ( -10.635 -5.080 -2.493) 12.047 5.804 ( 8.377 -0.848 -3.660) 9.181 6.082 ( -6.133 -1.774 -0.520) 6.405 6.157 ( -9.093 -5.604 6.484) 12.495 6.222 ( 9.407 -6.358 -8.876) 14.412 6.266 ( 13.769 -0.712 -4.694) 14.565 6.486 ( -4.598 6.546 -0.740) 8.034 6.523 ( -1.319 -0.522 -2.906) 3.234 6.619 ( 4.533 -4.128 2.318) 6.554 6.628 ( 0.690 -2.238 2.225) 3.230 6.974 ( 3.802 9.834 -1.079) 10.598 7.007 ( -0.275 4.854 -4.355) 6.527 7.237 ( -3.392 -4.551 4.018) 6.955 7.301 ( -3.815 -5.421 0.670) 6.663 7.425 ( 6.770 -5.035 -0.547) 8.454 7.568 ( -1.023 -16.888 -9.130) 19.225 7.638 ( 2.367 1.833 -0.066) 2.995 7.676 ( -4.337 0.952 -2.051) 4.891 8.018 ( -7.741 -12.870 7.854) 16.948 8.174 ( 6.488 -10.171 -6.139) 13.536 8.581 ( -0.230 -0.360 7.587) 7.599 8.696 ( 1.857 -1.478 -2.097) 3.167 8.828 ( 0.678 -1.900 7.585) 7.849 8.869 ( 0.370 0.030 3.346) 3.367 8.958 ( 7.980 -0.696 6.587) 10.370 9.006 ( -2.085 1.720 2.413) 3.623 9.260 ( -1.120 -2.980 1.406) 3.480 9.317 ( -4.734 4.137 -5.303) 8.225 9.652 ( 11.807 -1.975 8.759) 14.834 9.755 ( -3.542 -4.417 -0.351) 5.672 9.823 ( 5.204 0.394 2.219) 5.671 10.027 ( -18.512 1.534 -12.861) 22.593 10.218 ( -3.198 -3.192 0.991) 4.626 10.253 ( 2.506 -10.926 -0.637) 11.228 10.761 ( -0.167 -8.831 6.027) 10.693 10.916 ( -0.622 -3.390 -7.315) 8.087 11.295 ( 11.423 4.746 10.990) 16.547 11.516 ( -5.448 1.786 -8.382) 10.155 11.675 ( 8.323 5.223 1.341) 9.917 11.757 ( -10.998 5.104 -5.186) 13.187 12.172 ( 3.143 -0.214 -0.244) 3.159 12.174 ( -4.224 -3.278 -0.026) 5.346 12.524 ( 1.469 1.694 6.884) 7.240 12.671 ( -4.220 3.384 -7.056) 8.891 13.070 ( -1.167 -3.838 5.953) 7.178 13.159 ( 3.488 -1.721 -2.345) 4.542 14.235 ( 1.008 -3.118 7.284) 7.987 14.358 ( -2.349 -3.007 -4.350) 5.786 14.495 ( 5.100 1.736 7.498) 9.233 14.700 ( -6.676 1.420 -10.788) 12.766 16.061 ( 0.445 -3.289 -0.018) 3.319 16.078 ( 0.144 -2.901 -1.556) 3.296 16.681 ( -4.900 -2.075 4.966) 7.278 16.775 ( 1.209 -2.808 -3.839) 4.908 18.242 ( -2.870 4.964 6.799) 8.894 18.386 ( 4.861 9.399 -7.437) 12.934 18.892 ( 0.995 2.645 5.370) 6.068 19.021 ( -1.213 1.300 -6.831) 7.059 19.340 ( 4.404 -3.167 3.581) 6.500 19.381 ( -2.532 -1.136 -0.176) 2.781 19.584 ( 4.387 2.132 1.592) 5.131 19.639 ( -9.875 3.565 -3.737) 11.144 20.286 ( 8.288 1.347 1.850) 8.598 20.324 ( -6.398 1.260 -1.917) 6.797 20.867 ( -14.719 -1.726 9.149) 17.417 21.057 ( 21.921 0.724 -9.410) 23.866 ======================= Grid point 134 (64/90) ======================= q-point: ( 0.14 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -6.153 5.456 24.765) 26.095 2.030 ( 4.673 7.067 10.269) 13.312 2.309 ( 11.080 4.889 2.502) 12.366 2.669 ( -0.848 16.726 -15.463) 22.794 3.086 ( 4.026 8.689 -12.344) 15.623 3.140 ( 19.474 9.254 11.474) 24.424 3.343 ( 8.312 3.807 5.959) 10.913 3.463 ( -5.007 11.619 -4.411) 13.399 3.590 ( 2.756 10.878 8.228) 13.915 3.754 ( 11.468 5.093 -5.724) 13.792 3.866 ( 4.857 11.038 -6.953) 13.921 4.231 ( 4.313 2.898 11.170) 12.320 4.548 ( 6.213 12.195 17.548) 22.254 4.789 ( -8.758 -6.440 -1.650) 10.996 4.859 ( -11.114 -3.945 11.448) 16.436 4.925 ( 5.495 -3.702 7.644) 10.116 5.102 ( 5.197 8.066 -32.307) 33.702 5.495 ( -6.874 -2.352 -5.391) 9.047 5.749 ( 0.129 -0.461 1.238) 1.327 5.793 ( -11.876 -4.369 -1.548) 12.749 5.967 ( -0.440 -7.035 7.137) 10.031 6.022 ( 3.009 8.098 -3.694) 9.396 6.166 ( -11.170 -1.106 -6.971) 13.213 6.377 ( 3.462 -2.725 -2.849) 5.247 6.566 ( 4.492 -5.221 -5.182) 8.620 6.578 ( 5.258 9.985 3.384) 11.781 6.637 ( 1.061 0.776 -2.483) 2.810 6.714 ( 3.375 -1.749 -2.635) 4.626 6.984 ( -2.281 -4.690 -0.347) 5.227 7.019 ( 3.261 6.102 -5.433) 8.797 7.291 ( 4.848 0.389 1.075) 4.981 7.331 ( 7.038 -10.394 -0.217) 12.555 7.523 ( -3.983 -4.387 -0.596) 5.956 7.603 ( 3.189 -3.535 0.130) 4.762 7.621 ( 0.224 -7.891 1.688) 8.073 7.675 ( 5.433 4.781 -2.552) 7.673 7.849 ( -6.586 -6.520 2.692) 9.650 8.289 ( -0.639 -14.874 -0.346) 14.892 8.417 ( -10.660 -8.048 4.442) 14.076 8.503 ( -14.751 5.371 -4.050) 16.212 8.734 ( -9.484 -0.894 5.142) 10.825 8.837 ( -3.415 -2.680 -1.763) 4.686 8.992 ( -2.666 -6.760 2.317) 7.627 9.043 ( -5.805 -4.920 -0.673) 7.639 9.214 ( -5.538 -1.212 -4.048) 6.966 9.339 ( 9.329 6.046 5.486) 12.397 9.505 ( -9.858 -0.576 -5.176) 11.149 9.617 ( -8.947 3.085 4.872) 10.644 9.879 ( 3.444 -10.148 1.095) 10.772 10.105 ( 10.120 1.741 10.279) 14.530 10.156 ( 1.390 6.292 0.188) 6.447 10.416 ( 7.359 -5.833 3.763) 10.117 10.786 ( 1.210 -8.903 3.509) 9.646 10.890 ( 0.573 -3.879 -3.258) 5.099 11.053 ( -19.697 10.551 2.736) 22.512 11.293 ( -15.012 -5.645 -9.094) 18.437 11.679 ( 3.742 8.390 -4.130) 10.072 11.948 ( 2.018 6.762 1.147) 7.149 12.161 ( 4.459 -4.768 1.528) 6.705 12.277 ( 4.182 -5.386 0.407) 6.832 12.506 ( -5.605 1.857 6.402) 8.709 12.560 ( -2.528 5.386 0.429) 5.965 12.957 ( -2.931 -1.318 0.066) 3.214 13.173 ( -3.982 -1.500 -4.559) 6.237 14.157 ( -3.680 -3.458 0.322) 5.060 14.402 ( 0.152 0.396 5.292) 5.309 14.493 ( 0.022 -2.776 -5.258) 5.946 14.754 ( 7.778 1.153 4.047) 8.843 15.949 ( -4.581 -0.297 -1.056) 4.711 16.026 ( -3.331 -2.096 -1.932) 4.384 16.906 ( 20.084 -4.037 9.313) 22.503 17.103 ( 22.247 -5.920 -1.973) 23.106 18.212 ( -0.524 2.110 3.483) 4.106 18.494 ( 5.712 7.467 -8.093) 12.405 18.854 ( -4.324 2.056 1.426) 4.996 19.013 ( 0.741 5.031 -2.158) 5.525 19.272 ( -5.821 -2.208 -1.481) 6.399 19.392 ( -2.000 0.628 2.350) 3.149 19.472 ( -4.866 4.842 0.930) 6.928 19.710 ( 6.276 0.168 4.652) 7.814 20.200 ( -4.335 0.670 -4.736) 6.455 20.468 ( 8.515 1.040 1.598) 8.726 20.543 ( -14.573 1.419 2.082) 14.790 21.381 ( 8.848 -5.188 -12.410) 16.100 ======================= Grid point 135 (65/90) ======================= q-point: ( 0.29 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 7.208 4.653 -0.075) 8.580 2.072 ( 1.216 4.685 -3.258) 5.835 2.522 ( 5.862 17.779 20.363) 27.661 2.818 ( 14.245 16.097 -18.953) 28.658 3.166 ( 3.427 9.649 -4.929) 11.364 3.361 ( -1.117 5.836 7.723) 9.744 3.423 ( 0.061 3.762 7.965) 8.809 3.552 ( 12.970 11.876 4.697) 18.202 3.632 ( 7.353 2.836 0.072) 7.881 3.819 ( 1.341 5.440 -10.135) 11.581 4.102 ( 5.846 -0.398 -5.328) 7.920 4.274 ( -22.599 1.982 14.595) 26.975 4.609 ( 14.859 1.222 5.388) 15.853 4.711 ( -1.643 -7.062 -5.009) 8.812 4.853 ( 17.818 13.021 22.861) 31.775 4.936 ( 0.220 3.704 -3.669) 5.218 5.213 ( -4.325 3.347 -15.298) 16.246 5.480 ( -10.750 0.176 0.860) 10.785 5.549 ( 5.916 5.274 -0.101) 7.926 5.774 ( 8.296 2.624 -7.866) 11.730 5.916 ( -0.461 1.305 6.938) 7.075 5.993 ( -5.375 -8.070 -6.574) 11.714 6.221 ( 7.897 1.382 -2.766) 8.481 6.393 ( -0.840 -2.729 -4.483) 5.315 6.522 ( -3.387 -4.013 -6.422) 8.296 6.651 ( -3.964 -2.480 -1.343) 4.865 6.679 ( 3.378 6.481 -3.512) 8.109 6.774 ( 7.486 6.917 6.960) 12.342 7.005 ( 2.756 -0.749 -1.141) 3.076 7.120 ( 5.851 1.053 -5.946) 8.408 7.305 ( -4.871 -4.008 1.409) 6.464 7.371 ( -9.696 -5.609 4.140) 11.942 7.461 ( -1.883 -2.449 3.503) 4.671 7.609 ( 1.082 -3.736 -3.017) 4.923 7.638 ( 7.457 -5.531 -7.384) 11.863 7.799 ( 0.901 -0.032 3.614) 3.725 7.868 ( 7.920 -1.114 8.927) 11.985 8.009 ( -16.086 -6.120 4.438) 17.775 8.188 ( -12.819 -1.114 -0.067) 12.868 8.376 ( -2.679 -10.277 0.810) 10.651 8.484 ( -10.791 -6.454 4.377) 13.314 8.670 ( -8.779 -3.402 -7.177) 11.839 8.871 ( -5.636 -4.926 0.346) 7.494 8.983 ( 0.376 -2.913 -4.295) 5.204 9.130 ( -3.922 -5.374 -2.051) 6.962 9.298 ( -5.026 -5.849 -4.403) 8.880 9.446 ( -2.965 2.761 1.895) 4.473 9.654 ( 8.008 0.282 11.098) 13.688 9.939 ( -6.662 -5.711 1.913) 8.981 10.059 ( -2.269 8.776 -3.916) 9.874 10.302 ( 7.236 5.440 5.187) 10.433 10.573 ( 4.932 -12.257 3.836) 13.758 10.739 ( -5.553 -1.809 0.059) 5.840 10.811 ( -2.977 9.499 1.310) 10.040 10.973 ( 4.701 -2.024 0.123) 5.120 11.004 ( -8.499 1.336 -4.280) 9.609 11.587 ( -7.476 9.381 -2.298) 12.213 11.918 ( -8.379 -4.085 -6.034) 11.104 12.154 ( -1.347 -0.463 2.412) 2.802 12.263 ( -6.501 -2.231 2.732) 7.396 12.461 ( 1.444 3.010 6.667) 7.456 12.558 ( 1.758 4.518 5.273) 7.163 12.974 ( 0.068 -3.083 -4.703) 5.624 13.076 ( -0.559 -0.194 -8.427) 8.448 14.142 ( 2.514 -3.960 -1.663) 4.977 14.410 ( 1.102 -3.187 -2.403) 4.140 14.527 ( 2.659 -0.245 4.532) 5.260 14.880 ( 2.616 -3.128 5.971) 7.231 15.911 ( 0.625 0.700 -2.177) 2.371 15.995 ( 0.053 -0.567 -2.601) 2.663 17.342 ( 17.767 -7.272 11.536) 22.397 17.531 ( 16.922 -4.743 3.081) 17.842 18.232 ( 2.245 -2.500 -0.160) 3.364 18.539 ( -2.237 -2.826 -7.810) 8.602 18.785 ( -0.408 9.482 -1.338) 9.584 19.020 ( -0.219 8.265 0.627) 8.292 19.165 ( -4.359 2.293 3.240) 5.895 19.322 ( -3.475 2.144 0.215) 4.089 19.407 ( -1.620 3.820 0.919) 4.250 19.782 ( -0.897 0.208 -1.181) 1.498 20.149 ( 0.603 -0.682 -6.156) 6.223 20.315 ( -7.201 1.670 0.168) 7.394 20.665 ( 10.087 -0.160 4.487) 11.041 21.419 ( -2.701 -5.254 -9.221) 10.951 ======================= Grid point 136 (66/90) ======================= q-point: ( 0.43 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( -0.348 5.732 -3.123) 6.537 2.106 ( 3.744 8.511 -13.379) 16.293 2.679 ( 3.939 15.420 17.289) 23.499 2.986 ( 2.393 14.314 -15.820) 21.469 3.201 ( 6.625 10.136 2.883) 12.447 3.383 ( 0.910 6.541 7.195) 9.766 3.629 ( -1.668 5.366 1.477) 5.810 3.646 ( 12.170 0.417 3.936) 12.797 3.764 ( -11.713 4.201 13.637) 18.461 3.887 ( 8.970 3.064 2.318) 9.758 3.921 ( 5.247 6.682 -3.151) 9.061 4.099 ( -2.203 -0.545 -0.817) 2.412 4.547 ( -8.011 -1.802 -11.056) 13.772 4.686 ( -13.599 8.346 -10.039) 18.851 5.058 ( -0.662 4.851 13.441) 14.305 5.125 ( 7.375 1.822 -6.925) 10.279 5.228 ( 7.182 10.400 -1.500) 12.728 5.442 ( 12.572 8.177 4.090) 15.545 5.584 ( -1.637 -4.699 1.767) 5.280 5.790 ( -5.057 3.918 -5.650) 8.534 5.978 ( 4.680 -9.209 2.216) 10.565 6.134 ( 8.044 0.900 -3.630) 8.871 6.212 ( -1.767 2.269 2.958) 4.125 6.357 ( -4.165 0.926 0.032) 4.267 6.469 ( -2.368 -5.673 0.536) 6.171 6.562 ( 0.662 -7.859 -5.538) 9.637 6.855 ( -8.835 2.591 12.192) 15.278 6.869 ( 10.763 3.530 -8.222) 13.996 6.960 ( -5.716 -2.054 5.537) 8.219 7.108 ( -4.021 5.369 3.762) 7.691 7.204 ( 0.506 4.467 -9.569) 10.572 7.290 ( 2.672 -1.356 -6.370) 7.039 7.439 ( 1.748 -4.690 7.028) 8.628 7.581 ( -0.261 -7.484 -1.810) 7.704 7.673 ( -5.126 -4.674 1.626) 7.125 7.714 ( -6.379 -4.457 1.127) 7.863 7.895 ( 4.454 -1.790 1.367) 4.992 7.983 ( -4.336 -2.834 3.176) 6.076 8.183 ( 5.926 -1.652 -1.266) 6.281 8.260 ( 5.405 2.869 4.449) 7.566 8.458 ( 4.219 -12.730 -0.409) 13.417 8.557 ( -0.210 -10.185 -0.248) 10.191 8.806 ( -2.083 -4.215 -1.365) 4.896 8.925 ( -2.614 -2.571 1.527) 3.971 9.065 ( -4.476 -5.803 -1.259) 7.436 9.203 ( -6.401 -3.817 -7.671) 10.695 9.385 ( -4.201 2.872 0.876) 5.163 9.570 ( -14.334 -8.481 -4.881) 17.356 9.821 ( 5.370 -2.410 10.685) 12.198 10.126 ( 2.015 3.270 -9.082) 9.860 10.373 ( 0.673 6.856 3.626) 7.785 10.520 ( -6.213 0.017 -3.474) 7.118 10.797 ( 9.091 -2.386 5.476) 10.878 10.817 ( -1.135 4.376 5.934) 7.460 10.899 ( -1.992 4.518 0.832) 5.008 11.052 ( 2.856 2.040 -5.451) 6.483 11.494 ( 0.176 2.745 0.622) 2.820 11.671 ( -10.917 -2.957 -4.245) 12.081 12.122 ( -5.160 2.573 3.715) 6.859 12.144 ( 0.057 1.266 -1.848) 2.241 12.531 ( 3.268 0.089 7.731) 8.394 12.612 ( 2.275 1.694 5.671) 6.341 12.959 ( 0.773 -0.575 -5.597) 5.679 13.049 ( -3.515 -1.192 -9.603) 10.295 14.243 ( 6.341 -6.203 -1.266) 8.961 14.363 ( -5.299 -4.205 -1.667) 6.967 14.667 ( 8.910 -1.157 6.135) 10.879 14.867 ( -4.000 -3.994 2.588) 6.217 15.943 ( 2.055 0.832 -2.439) 3.296 15.991 ( -0.480 0.411 -3.363) 3.422 17.641 ( 8.331 -7.540 12.119) 16.526 17.775 ( 6.335 -2.986 4.133) 8.132 18.295 ( 3.332 -6.723 -3.209) 8.160 18.415 ( -6.530 -5.454 -5.759) 10.274 18.838 ( 4.971 11.607 -0.242) 12.629 18.985 ( -4.667 8.570 -0.575) 9.776 19.099 ( -1.198 5.931 6.905) 9.181 19.259 ( -2.041 3.280 -3.976) 5.543 19.438 ( 4.037 2.048 3.473) 5.706 19.696 ( -5.546 0.771 -6.890) 8.878 20.172 ( -0.283 -1.190 -0.863) 1.497 20.224 ( -0.372 1.297 -4.870) 5.053 20.893 ( 10.225 -1.682 8.472) 13.385 21.281 ( -8.926 -3.780 -6.676) 11.770 ======================= Grid point 137 (67/90) ======================= q-point: (-0.43 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -3.894 10.274 1.011) 11.033 2.111 ( -2.354 5.587 -12.466) 13.862 2.594 ( -12.119 22.051 13.777) 28.686 3.066 ( 3.292 9.852 -11.122) 15.218 3.303 ( -4.840 4.236 -2.411) 6.869 3.371 ( -4.332 8.969 8.647) 13.191 3.401 ( 0.856 5.439 8.992) 10.544 3.737 ( 3.409 3.617 6.431) 8.128 3.814 ( -4.818 8.909 -4.773) 11.197 3.974 ( -2.038 -4.836 3.703) 6.423 4.075 ( -4.335 -1.663 -3.911) 6.071 4.220 ( 20.955 2.682 -16.643) 26.894 4.356 ( -6.534 9.907 1.022) 11.912 4.539 ( 8.621 7.257 1.671) 11.392 4.855 ( -16.778 8.321 14.434) 23.645 5.279 ( 6.849 -0.747 -1.927) 7.154 5.323 ( -13.137 1.488 -5.975) 14.509 5.479 ( 12.398 6.148 -0.615) 13.852 5.647 ( -5.641 1.239 -8.250) 10.071 5.754 ( 3.633 -1.525 0.410) 3.961 6.013 ( -7.411 -1.273 -3.672) 8.368 6.073 ( -2.343 8.464 1.745) 8.954 6.144 ( -3.270 3.317 5.893) 7.512 6.354 ( -7.681 -6.813 7.531) 12.734 6.450 ( -5.060 -3.709 -0.047) 6.274 6.532 ( 10.037 -8.944 -1.408) 13.517 6.680 ( -3.230 -4.992 1.014) 6.032 6.846 ( -3.890 -0.265 8.314) 9.183 7.008 ( 3.194 2.603 6.352) 7.572 7.078 ( -3.747 9.629 7.719) 12.898 7.277 ( 0.475 -3.553 -9.373) 10.035 7.363 ( 8.358 0.288 -10.165) 13.163 7.491 ( -0.782 -4.224 1.037) 4.419 7.595 ( -1.312 -2.191 -5.216) 5.808 7.630 ( -0.050 -4.919 3.187) 5.861 7.657 ( 4.441 -5.981 4.012) 8.461 7.989 ( 7.226 0.139 -7.226) 10.220 8.031 ( 5.764 -6.293 0.943) 8.585 8.222 ( 7.413 6.855 0.232) 10.099 8.328 ( 0.514 -2.069 -12.876) 13.051 8.542 ( -8.536 -12.940 -2.094) 15.643 8.630 ( 0.417 -12.808 -3.985) 13.420 8.804 ( -7.519 -4.845 -1.198) 9.025 8.904 ( 9.450 -0.594 13.190) 16.236 8.961 ( -2.956 -2.417 0.939) 3.932 9.004 ( 0.329 -2.557 2.289) 3.448 9.409 ( 7.755 -0.943 6.377) 10.084 9.515 ( 6.010 -10.837 -3.540) 12.888 9.923 ( 3.050 -3.059 9.759) 10.672 10.071 ( -4.521 4.085 -12.927) 14.291 10.418 ( 0.816 4.108 1.637) 4.497 10.437 ( 0.632 6.824 1.744) 7.072 10.688 ( -8.851 -1.515 5.544) 10.554 10.827 ( -5.084 3.728 9.270) 11.210 11.033 ( 9.046 2.338 -5.634) 10.910 11.094 ( 1.664 1.135 -8.947) 9.171 11.537 ( -0.679 3.414 -3.508) 4.942 11.604 ( 9.114 -2.463 2.397) 9.740 12.096 ( 2.225 3.255 2.740) 4.802 12.180 ( 4.141 1.389 -1.815) 4.730 12.588 ( 1.164 -0.515 4.953) 5.114 12.665 ( 2.306 -0.343 3.453) 4.166 12.870 ( -8.775 0.565 -4.819) 10.027 13.016 ( 1.701 0.214 -4.680) 4.984 14.221 ( -6.805 -1.984 0.333) 7.096 14.355 ( 2.883 -8.928 -0.327) 9.387 14.726 ( -6.017 -3.842 1.451) 7.284 14.876 ( 6.972 -2.492 1.122) 7.489 15.947 ( -1.739 0.577 -2.192) 2.857 15.987 ( 0.864 1.010 -3.680) 3.913 17.647 ( -8.155 -6.157 9.730) 14.110 17.885 ( 2.253 -9.056 -2.156) 9.578 18.288 ( -3.720 -4.358 -1.027) 5.821 18.352 ( 1.534 -3.406 -2.987) 4.783 18.840 ( -6.418 9.167 -1.035) 11.238 18.982 ( 6.463 9.375 -0.022) 11.387 19.121 ( 2.152 4.012 7.660) 8.911 19.236 ( 0.375 5.563 -4.779) 7.343 19.553 ( 3.780 1.474 4.009) 5.704 19.567 ( -3.034 2.613 -5.663) 6.935 20.124 ( -2.696 -0.706 1.294) 3.073 20.270 ( 3.740 1.065 -7.203) 8.186 21.043 ( -12.071 -2.472 -4.889) 13.256 21.090 ( 6.192 -2.794 10.456) 12.469 ======================= Grid point 138 (68/90) ======================= q-point: (-0.29 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -6.727 4.065 -1.074) 7.933 2.051 ( 1.610 13.502 3.915) 14.150 2.312 ( -14.166 25.686 17.938) 34.383 2.967 ( -7.308 13.227 -12.970) 19.914 3.184 ( -6.679 -0.076 -5.893) 8.908 3.404 ( 1.169 8.784 6.923) 11.245 3.453 ( 2.308 4.107 9.060) 10.212 3.625 ( -6.600 12.936 -6.821) 16.045 3.736 ( -13.876 -0.629 -5.918) 15.099 3.827 ( -2.134 5.114 -14.251) 15.291 3.868 ( -10.189 3.377 11.057) 15.411 4.359 ( -25.650 11.240 30.227) 41.206 4.469 ( 7.513 -4.719 12.943) 15.691 4.598 ( 7.044 0.564 -4.042) 8.141 4.809 ( 16.463 4.538 -7.767) 18.760 5.134 ( 0.515 1.700 -7.394) 7.604 5.442 ( -1.851 -0.305 -19.054) 19.146 5.478 ( 1.574 -1.617 -1.574) 2.751 5.600 ( -9.479 5.587 -2.823) 11.359 5.722 ( 8.199 4.170 -7.530) 11.887 5.921 ( 1.954 -4.639 0.563) 5.065 6.074 ( -0.559 6.812 -4.138) 7.990 6.117 ( -6.514 0.034 5.324) 8.413 6.263 ( 3.716 2.098 6.427) 7.715 6.415 ( 1.720 -5.883 4.337) 7.508 6.550 ( -6.284 -0.573 5.690) 8.496 6.682 ( 2.003 -9.653 0.124) 9.859 6.821 ( -5.565 7.982 1.278) 9.814 6.968 ( -2.867 -1.656 0.057) 3.312 7.068 ( -1.030 8.546 0.471) 8.620 7.297 ( 4.938 -9.616 2.720) 11.147 7.427 ( -2.255 -8.215 -1.801) 8.707 7.475 ( 0.232 -5.209 3.272) 6.156 7.555 ( -6.790 -6.612 3.688) 10.170 7.653 ( 6.077 3.986 -8.281) 11.018 7.805 ( 8.285 0.255 -1.030) 8.353 8.018 ( -1.725 -0.492 -2.971) 3.470 8.125 ( -5.217 -1.617 -9.424) 10.892 8.333 ( 4.302 -5.344 -10.138) 12.241 8.388 ( 4.378 -7.999 0.232) 9.122 8.502 ( 12.276 -3.453 3.255) 13.161 8.622 ( 4.975 -5.349 -5.791) 9.322 8.744 ( -0.404 -3.378 5.093) 6.125 8.974 ( 5.737 -0.898 8.484) 10.280 9.044 ( 2.789 -4.739 3.663) 6.607 9.102 ( 5.248 -0.053 9.985) 11.280 9.510 ( 2.865 -9.637 -2.512) 10.363 9.817 ( 7.000 -8.169 3.818) 11.416 9.925 ( -1.665 -6.643 0.471) 6.865 10.025 ( 4.772 12.517 -4.572) 14.155 10.409 ( -0.372 7.512 -3.478) 8.286 10.515 ( 3.922 0.417 10.177) 10.915 10.539 ( -3.697 -15.893 6.756) 17.660 10.756 ( 0.135 9.263 6.335) 11.223 11.084 ( -1.461 0.272 -9.708) 9.821 11.155 ( 3.857 4.377 -9.118) 10.825 11.590 ( 4.437 10.089 -2.799) 11.371 11.821 ( 9.877 -3.371 3.638) 11.052 12.187 ( 4.823 0.417 -0.751) 4.899 12.281 ( 3.666 -1.587 0.817) 4.078 12.619 ( 2.402 0.201 -0.490) 2.460 12.632 ( -6.405 2.996 -9.955) 12.210 12.807 ( 5.923 1.023 12.059) 13.474 13.005 ( -2.502 -1.282 -2.779) 3.953 14.119 ( -2.165 -1.601 0.436) 2.728 14.342 ( -2.759 -4.971 2.693) 6.291 14.630 ( -3.044 -4.206 -2.953) 5.973 14.963 ( 0.476 -3.792 -1.850) 4.246 15.914 ( -0.390 0.433 -1.977) 2.061 15.990 ( 0.092 0.392 -2.771) 2.800 17.391 ( -16.546 -7.247 6.469) 19.187 17.718 ( -18.211 -15.776 -12.996) 27.376 18.260 ( 0.588 4.866 0.767) 4.961 18.374 ( -0.115 -1.021 3.439) 3.589 18.763 ( 0.096 7.353 -0.002) 7.354 19.042 ( 0.586 4.123 -0.840) 4.248 19.238 ( 0.398 2.509 -3.707) 4.494 19.261 ( 8.020 5.194 5.690) 11.121 19.483 ( -0.934 4.827 -5.446) 7.337 19.714 ( 8.293 2.605 5.676) 10.381 20.076 ( -2.032 -1.729 0.763) 2.775 20.357 ( 6.111 4.793 -5.416) 9.468 20.759 ( -13.363 -1.014 -4.003) 13.987 21.181 ( 0.182 -3.860 12.917) 13.482 ======================= Grid point 139 (69/90) ======================= q-point: (-0.14 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -6.224 8.346 21.215) 23.632 2.098 ( -8.221 25.951 31.833) 41.885 2.293 ( 18.589 3.278 -10.763) 21.728 2.760 ( -12.740 9.678 -19.646) 25.336 2.979 ( -10.561 3.943 -0.329) 11.277 3.277 ( -9.204 6.825 12.837) 17.207 3.304 ( -19.171 6.548 -0.381) 20.262 3.497 ( -9.750 10.470 -3.238) 14.669 3.562 ( -7.746 9.510 8.485) 14.914 3.731 ( 13.054 7.880 3.862) 15.730 3.815 ( 1.534 6.682 -12.306) 14.087 4.070 ( -7.996 14.270 20.627) 26.325 4.511 ( -1.817 -2.676 2.190) 3.906 4.694 ( 2.535 -5.602 8.531) 10.516 4.916 ( -5.134 -0.080 -0.826) 5.200 5.206 ( -9.409 1.494 -18.317) 20.647 5.333 ( 12.503 -0.637 -20.515) 24.033 5.559 ( 11.095 2.839 -9.973) 15.186 5.678 ( -4.551 1.735 5.589) 7.413 5.781 ( 3.906 -0.568 -7.529) 8.501 5.962 ( 8.904 1.449 2.562) 9.378 6.067 ( 1.119 -4.246 -4.223) 6.093 6.125 ( 4.609 -1.221 0.247) 4.775 6.290 ( -4.467 -2.791 4.860) 7.167 6.478 ( 2.500 -5.414 1.960) 6.278 6.524 ( 2.851 4.895 6.454) 8.587 6.634 ( -3.952 -4.067 1.578) 5.886 6.679 ( -6.952 4.356 -1.815) 8.402 6.926 ( 0.178 3.342 0.557) 3.392 7.029 ( -1.181 4.376 -3.302) 5.608 7.338 ( -3.407 -7.627 -1.163) 8.434 7.363 ( -5.115 -9.379 -1.143) 10.745 7.434 ( -0.881 -5.175 4.458) 6.887 7.551 ( 4.499 -1.980 3.578) 6.080 7.682 ( -8.546 -6.208 -4.886) 11.638 7.758 ( -3.399 3.227 -7.392) 8.753 7.980 ( 5.394 -3.414 -8.541) 10.663 8.227 ( -2.762 -15.155 4.350) 16.007 8.399 ( 11.254 6.286 5.165) 13.886 8.501 ( 10.182 -6.669 -2.513) 12.429 8.708 ( 4.870 -1.420 6.970) 8.621 8.787 ( 7.911 0.628 2.922) 8.457 8.861 ( 6.713 -3.713 5.163) 9.247 9.050 ( -0.236 0.381 12.859) 12.867 9.170 ( 7.522 -2.166 -3.113) 8.424 9.282 ( 12.246 1.701 4.180) 13.051 9.498 ( -4.751 -12.054 -0.551) 12.968 9.773 ( -0.997 4.811 -8.964) 10.223 9.873 ( -4.099 -9.991 1.382) 10.887 10.112 ( 0.417 6.351 4.140) 7.592 10.337 ( -4.357 -4.656 -8.188) 10.378 10.431 ( -8.276 -10.216 0.378) 13.153 10.751 ( 5.999 -9.715 11.694) 16.343 10.895 ( 10.115 3.671 3.478) 11.309 10.980 ( 0.268 8.072 -6.572) 10.413 11.296 ( 12.344 5.228 -4.693) 14.203 11.648 ( -0.211 7.388 -1.247) 7.496 11.973 ( 3.406 1.352 -1.436) 3.936 12.212 ( -6.259 -2.862 -2.022) 7.173 12.283 ( -2.838 -3.202 0.106) 4.279 12.494 ( -2.495 3.784 -0.499) 4.560 12.703 ( 2.838 0.353 -5.615) 6.301 12.957 ( 4.074 -1.793 0.644) 4.498 13.041 ( 9.412 -0.039 6.601) 11.496 14.140 ( 3.677 -2.183 2.419) 4.913 14.342 ( 3.094 1.905 4.849) 6.059 14.537 ( -6.104 -5.680 -5.616) 10.052 14.883 ( -7.179 -2.886 -5.886) 9.721 15.951 ( 4.566 -1.046 -1.093) 4.810 16.015 ( 3.439 -0.426 -1.228) 3.676 16.998 ( -20.412 -5.952 5.218) 21.893 17.167 ( -28.893 -10.587 -12.952) 33.386 18.281 ( 0.182 7.548 3.673) 8.396 18.344 ( -1.431 4.832 -0.482) 5.062 18.824 ( 4.095 3.187 2.653) 5.828 19.049 ( -0.072 1.749 -3.642) 4.041 19.246 ( 2.288 -1.817 0.564) 2.976 19.394 ( 2.455 2.868 1.664) 4.126 19.503 ( 3.089 3.611 -1.526) 4.991 19.818 ( -3.142 1.830 -5.577) 6.658 20.102 ( 6.865 -1.232 5.238) 8.722 20.494 ( -8.289 2.426 -2.039) 8.874 20.594 ( 16.034 6.320 -2.367) 17.396 21.115 ( -8.259 -3.724 12.797) 15.679 ======================= Grid point 140 (70/90) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 13.328 18.820 19.600) 30.265 2.248 ( -17.638 16.256 17.876) 29.915 2.420 ( -11.844 3.081 -2.537) 12.499 2.848 ( 18.351 8.682 -22.870) 30.581 3.170 ( 2.781 10.412 -0.016) 10.777 3.228 ( -5.371 19.480 -3.903) 20.580 3.460 ( -4.636 5.742 4.386) 8.585 3.612 ( 8.415 3.985 -6.654) 11.444 3.773 ( -1.966 15.681 7.138) 17.340 3.954 ( -5.362 13.892 -4.165) 15.462 4.226 ( -3.921 17.891 16.748) 24.818 4.438 ( 2.374 19.372 7.340) 20.851 4.503 ( 10.623 -8.642 13.572) 19.280 4.712 ( -0.787 6.371 2.749) 6.983 4.770 ( 0.602 -1.248 -5.664) 5.831 4.949 ( -9.694 4.536 -5.146) 11.875 5.518 ( -12.034 3.934 -6.859) 14.399 5.566 ( 10.448 -6.128 -5.445) 13.280 5.598 ( -3.362 -0.230 4.265) 5.436 5.843 ( 0.282 3.324 -18.391) 18.692 5.982 ( -10.322 -3.188 0.992) 10.848 6.092 ( 9.253 -1.680 -1.849) 9.584 6.127 ( -1.795 -3.266 2.426) 4.447 6.275 ( 9.997 1.510 -4.701) 11.150 6.510 ( 6.590 -0.695 -2.673) 7.146 6.551 ( -5.691 2.277 -2.794) 6.736 6.609 ( 0.694 -0.919 7.436) 7.525 6.692 ( 0.132 6.248 -0.243) 6.254 6.965 ( -1.910 -9.168 4.633) 10.448 7.011 ( 6.815 -8.365 -0.771) 10.817 7.098 ( 2.421 -13.139 -1.489) 13.443 7.163 ( -3.432 -5.891 0.682) 6.852 7.260 ( -3.828 -2.769 -3.860) 6.101 7.354 ( 1.706 -1.686 -7.524) 7.897 7.548 ( 1.266 -11.880 7.834) 14.287 7.719 ( -4.186 -0.164 -5.573) 6.972 7.885 ( -4.933 -2.295 0.976) 5.528 7.994 ( 3.686 -0.330 -5.653) 6.757 8.510 ( -11.044 -7.146 6.487) 14.667 8.564 ( 10.893 -8.554 2.146) 14.016 8.737 ( -0.625 -6.068 6.521) 8.930 8.806 ( -1.299 -4.463 0.447) 4.669 8.921 ( 4.006 -3.234 5.136) 7.272 9.001 ( 0.484 -4.551 -2.657) 5.292 9.194 ( 5.963 -1.869 12.039) 13.564 9.426 ( -6.554 5.233 -9.042) 12.332 9.484 ( 3.147 -11.602 5.685) 13.298 9.589 ( 0.782 -10.241 -3.664) 10.905 9.834 ( 4.265 2.714 7.949) 9.420 10.026 ( -3.750 1.771 -6.749) 7.921 10.180 ( 0.911 1.379 5.502) 5.745 10.331 ( -4.872 5.800 -11.425) 13.708 10.556 ( -2.806 -9.302 7.400) 12.213 10.777 ( -0.042 -8.705 -11.442) 14.377 11.324 ( 8.545 -3.743 8.483) 12.609 11.522 ( -9.203 -1.362 -9.013) 12.954 11.763 ( 11.046 6.273 6.749) 14.384 11.890 ( -10.322 7.627 -5.418) 13.931 12.157 ( 2.971 1.882 1.818) 3.959 12.202 ( -3.782 1.348 -2.603) 4.785 12.577 ( -1.081 3.856 10.221) 10.978 12.765 ( 0.606 4.846 -7.595) 9.029 12.982 ( 0.837 -4.236 6.180) 7.539 13.101 ( 0.626 -3.605 -4.578) 5.861 14.189 ( -3.260 -1.671 3.997) 5.421 14.276 ( 2.572 -3.544 -4.042) 5.960 14.527 ( 2.121 1.136 8.798) 9.121 14.711 ( -1.578 -0.732 -8.401) 8.580 15.992 ( 1.756 -2.965 0.213) 3.453 16.014 ( -1.883 -2.920 -1.712) 3.873 16.621 ( -2.698 -3.503 3.951) 5.929 16.692 ( 1.455 -4.941 -2.540) 5.744 18.359 ( -2.734 5.550 8.752) 10.718 18.540 ( 3.200 4.669 -8.248) 10.003 18.959 ( 1.468 3.599 3.124) 4.986 19.057 ( 0.286 2.003 -5.986) 6.319 19.276 ( 4.385 -2.639 3.912) 6.442 19.343 ( -5.162 -2.283 -2.191) 6.055 19.650 ( 2.475 3.855 2.822) 5.380 19.720 ( -6.331 3.620 -3.966) 8.302 20.363 ( 8.686 6.087 1.318) 10.688 20.376 ( -6.623 4.158 -0.340) 7.828 20.818 ( -11.551 -3.067 9.628) 15.347 21.031 ( 14.403 -3.455 -10.597) 18.212 ======================= Grid point 141 (71/90) ======================= q-point: ( 0.14 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( -5.947 15.663 7.525) 18.366 2.199 ( -3.221 9.520 2.699) 10.406 2.498 ( 24.154 12.010 15.841) 31.282 3.100 ( -1.724 22.992 -4.255) 23.446 3.237 ( 15.905 6.544 -11.196) 20.522 3.397 ( 0.745 2.058 3.826) 4.407 3.400 ( 12.900 12.893 -13.358) 22.607 3.755 ( -9.738 12.725 9.401) 18.578 3.779 ( 1.969 9.903 13.990) 17.253 3.890 ( 15.531 8.112 -10.132) 20.240 4.253 ( 1.265 21.014 -5.134) 21.669 4.351 ( -4.125 9.333 8.639) 13.370 4.551 ( -8.080 -12.984 -8.512) 17.502 4.720 ( -4.272 -7.053 12.158) 14.690 4.845 ( 3.229 4.527 11.859) 13.098 4.921 ( 5.524 10.173 18.037) 21.432 5.310 ( 0.985 9.935 -22.196) 24.339 5.573 ( -1.958 4.576 0.205) 4.982 5.682 ( -4.543 1.658 2.654) 5.516 5.788 ( 6.563 0.890 -2.961) 7.255 5.845 ( -2.771 -1.125 -8.299) 8.822 6.066 ( -1.561 -1.226 1.707) 2.618 6.206 ( -2.729 -1.126 -0.198) 2.958 6.330 ( -0.734 2.370 -5.375) 5.919 6.447 ( -1.878 -5.723 -7.780) 9.839 6.618 ( 2.596 -2.830 2.022) 4.340 6.680 ( 0.155 -2.108 -1.909) 2.848 6.785 ( 10.449 4.369 -3.128) 11.749 6.926 ( -1.639 -2.477 -0.259) 2.981 7.037 ( 1.345 -7.364 1.973) 7.741 7.167 ( 1.611 -3.254 -0.685) 3.695 7.183 ( 8.039 -7.068 -8.137) 13.446 7.344 ( 3.246 -8.543 3.221) 9.691 7.458 ( 4.752 -9.222 -2.725) 10.726 7.572 ( 3.387 -5.188 9.120) 11.026 7.714 ( 3.124 -0.494 1.618) 3.553 7.763 ( -4.735 -1.261 -4.057) 6.362 7.994 ( -3.819 -5.949 -1.366) 7.199 8.244 ( -12.070 -7.465 6.147) 15.466 8.542 ( -17.182 -2.753 -1.641) 17.478 8.678 ( -9.381 -4.944 4.062) 11.356 8.753 ( 3.216 -7.887 7.555) 11.385 8.855 ( -8.099 -1.370 -7.708) 11.264 8.938 ( -3.675 -3.880 -2.689) 5.983 9.211 ( -8.931 -4.379 -7.608) 12.522 9.322 ( -5.677 1.627 3.144) 6.690 9.408 ( -0.772 -4.695 4.951) 6.866 9.659 ( 2.804 -4.165 1.999) 5.404 9.912 ( 3.600 3.311 0.686) 4.938 10.040 ( 6.162 -3.332 1.832) 7.241 10.290 ( 0.919 -2.237 -0.978) 2.609 10.311 ( 5.833 4.677 0.539) 7.495 10.561 ( 2.110 -12.135 6.200) 13.789 10.767 ( 1.616 -4.379 -5.807) 7.450 11.205 ( -12.374 -1.718 -5.656) 13.713 11.298 ( -12.851 6.965 3.203) 14.964 11.830 ( 5.211 4.755 -4.597) 8.420 11.990 ( -3.948 -1.783 2.438) 4.970 12.128 ( 5.694 5.379 3.213) 8.467 12.180 ( -2.705 -4.216 1.115) 5.132 12.548 ( -2.626 1.931 9.707) 10.240 12.724 ( -2.511 9.011 -3.138) 9.866 12.928 ( -2.894 -1.473 0.517) 3.288 13.115 ( -0.700 -3.836 -4.699) 6.106 14.098 ( -3.289 -1.691 0.986) 3.828 14.377 ( 3.476 -2.846 3.802) 5.885 14.476 ( -3.171 1.129 -3.075) 4.559 14.744 ( 2.885 -2.029 -1.238) 3.738 15.943 ( -2.374 -0.229 -1.406) 2.769 15.982 ( -1.084 -1.898 -0.562) 2.256 16.798 ( 15.897 -5.891 6.119) 18.024 16.945 ( 18.559 -8.594 -2.277) 20.579 18.315 ( -2.275 6.153 6.664) 9.351 18.559 ( -1.033 0.221 -6.815) 6.897 18.965 ( 0.372 6.512 -2.449) 6.967 19.103 ( 3.502 3.689 -2.684) 5.751 19.227 ( -3.528 -1.833 -0.740) 4.044 19.393 ( 3.336 -0.909 3.238) 4.737 19.592 ( -5.453 6.136 0.707) 8.239 19.723 ( 4.087 1.124 5.241) 6.741 20.242 ( -5.794 3.609 -3.936) 7.880 20.507 ( 0.759 2.560 3.622) 4.500 20.579 ( -6.424 2.206 1.784) 7.023 21.242 ( 6.346 -7.940 -9.924) 14.206 ======================= Grid point 142 (72/90) ======================= q-point: ( 0.29 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 5.359 13.970 -8.924) 17.422 2.225 ( 5.232 10.247 5.275) 12.657 2.977 ( 10.274 20.881 18.464) 29.707 3.160 ( 13.184 15.091 -4.834) 20.614 3.393 ( 0.403 5.703 -0.247) 5.722 3.436 ( 3.169 11.113 -6.650) 13.333 3.579 ( 5.723 6.431 9.412) 12.755 3.801 ( 9.616 10.625 -1.200) 14.380 3.832 ( -1.624 17.504 2.817) 17.804 4.024 ( -6.817 12.619 -4.901) 15.157 4.096 ( 2.994 1.786 -6.509) 7.384 4.317 ( -18.392 -0.475 6.256) 19.432 4.497 ( 1.035 -4.124 -2.825) 5.105 4.686 ( 18.260 3.248 5.153) 19.249 4.965 ( 6.843 0.933 1.866) 7.154 5.133 ( 8.659 8.887 11.999) 17.260 5.374 ( 3.693 0.979 -2.690) 4.673 5.457 ( -1.808 6.535 -6.674) 9.514 5.684 ( -9.151 1.142 -4.524) 10.272 5.740 ( -1.502 0.613 10.991) 11.110 5.946 ( 5.467 6.977 -12.508) 15.330 6.064 ( 5.410 10.091 9.393) 14.810 6.152 ( -1.472 -7.218 -5.803) 9.378 6.315 ( -0.793 -8.421 -2.916) 8.947 6.433 ( 1.627 -3.367 -9.107) 9.845 6.570 ( -3.791 -1.423 -2.931) 4.999 6.721 ( 1.694 -1.661 7.464) 7.832 6.919 ( 1.989 -11.555 -3.815) 12.330 6.995 ( 8.064 1.913 -8.002) 11.521 7.094 ( -4.034 -6.248 1.285) 7.547 7.122 ( -1.693 0.575 6.173) 6.427 7.320 ( 4.266 -4.882 2.937) 7.118 7.390 ( 6.485 -1.549 -6.470) 9.290 7.480 ( -3.157 -7.309 1.591) 8.119 7.589 ( -6.487 -1.775 2.373) 7.132 7.683 ( -6.028 -10.839 -2.564) 12.665 7.856 ( 10.523 2.046 8.458) 13.655 7.911 ( 0.580 -0.640 6.682) 6.738 8.111 ( -15.832 -8.327 0.308) 17.891 8.124 ( -3.971 -5.473 -3.268) 7.510 8.463 ( -10.573 1.824 2.172) 10.946 8.619 ( -11.213 -0.512 -8.915) 14.335 8.780 ( -0.277 -4.631 5.008) 6.827 8.882 ( -1.492 -4.678 -6.040) 7.784 9.026 ( -6.184 -5.385 -4.302) 9.260 9.171 ( -3.483 -1.033 -1.859) 4.081 9.437 ( -1.248 -2.376 0.792) 2.798 9.724 ( -0.716 1.407 7.942) 8.097 9.837 ( -10.947 -6.978 -2.227) 13.172 10.223 ( 6.978 -12.703 1.294) 14.551 10.252 ( 2.053 4.591 -2.889) 5.800 10.423 ( 3.372 2.627 1.758) 4.622 10.640 ( 3.850 -5.881 1.810) 7.258 10.838 ( 3.633 -3.405 0.175) 4.983 11.016 ( -2.879 2.902 -4.777) 6.287 11.095 ( -6.181 4.813 3.069) 8.414 11.781 ( -9.669 9.335 0.968) 13.475 11.824 ( -9.361 -3.625 -4.373) 10.949 12.127 ( 0.264 -3.556 1.585) 3.903 12.216 ( -1.318 -0.909 4.650) 4.918 12.528 ( -0.291 3.152 9.068) 9.605 12.680 ( -1.340 6.132 1.311) 6.412 12.930 ( 2.070 -0.969 -0.203) 2.294 13.059 ( -2.216 -0.742 -8.774) 9.080 14.075 ( 1.020 -1.840 0.357) 2.134 14.368 ( -2.091 -0.582 -1.708) 2.762 14.506 ( 3.961 -1.981 0.226) 4.435 14.780 ( 0.253 -5.939 2.143) 6.319 15.933 ( 1.278 1.417 -1.746) 2.586 15.985 ( 1.162 -0.270 -1.454) 1.880 17.158 ( 15.361 -9.922 7.910) 19.924 17.334 ( 16.885 -12.466 -1.697) 21.057 18.285 ( -1.229 5.349 4.408) 7.039 18.482 ( -4.695 -1.375 -5.874) 7.644 18.989 ( 2.224 8.405 -3.946) 9.547 19.157 ( 1.248 4.757 -1.764) 5.225 19.204 ( 0.940 1.929 4.047) 4.580 19.404 ( -2.042 3.850 1.031) 4.478 19.505 ( -2.763 6.232 3.845) 7.827 19.792 ( 0.273 0.737 1.896) 2.052 20.150 ( -1.385 1.001 -6.339) 6.566 20.335 ( -7.895 0.042 2.101) 8.170 20.685 ( 7.507 2.414 2.039) 8.145 21.276 ( -1.554 -8.193 -7.566) 11.260 ======================= Grid point 143 (73/90) ======================= q-point: ( 0.43 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 5.602 14.135 -5.660) 16.224 2.335 ( 1.434 13.304 -8.366) 15.781 3.054 ( 3.949 15.506 14.051) 21.294 3.329 ( -6.927 14.537 11.192) 19.610 3.465 ( 7.060 18.243 -12.303) 23.109 3.564 ( 5.428 -0.759 -6.590) 8.571 3.615 ( 1.996 7.513 9.696) 12.427 3.729 ( -3.408 6.093 10.023) 12.214 3.928 ( -7.663 7.036 -3.283) 10.909 4.037 ( 10.850 10.101 2.053) 14.965 4.067 ( -0.928 3.336 -4.066) 5.340 4.153 ( 4.870 14.810 -7.110) 17.135 4.539 ( 3.300 2.479 1.572) 4.417 4.894 ( -4.966 10.262 -7.394) 13.588 5.169 ( 11.062 2.988 1.718) 11.586 5.202 ( -4.316 6.377 8.832) 11.717 5.438 ( 1.823 7.975 -6.397) 10.385 5.491 ( -2.005 -3.517 0.901) 4.147 5.537 ( 5.110 -2.757 3.652) 6.859 5.765 ( 3.775 -2.634 0.007) 4.603 5.927 ( -2.249 0.815 5.898) 6.365 6.130 ( 1.841 0.122 -4.273) 4.654 6.248 ( 1.301 -2.795 -4.793) 5.699 6.303 ( 1.087 -7.986 -3.768) 8.897 6.346 ( -4.395 -1.123 0.659) 4.584 6.510 ( -6.755 4.995 -4.262) 9.421 6.778 ( 1.148 -7.243 2.993) 7.920 6.804 ( -2.258 -11.620 4.652) 12.718 6.980 ( -8.193 -2.030 11.511) 14.274 7.151 ( 4.722 -1.711 0.865) 5.097 7.222 ( -7.193 -6.719 0.971) 9.891 7.300 ( 8.001 -8.492 -4.995) 12.692 7.340 ( -2.367 -1.706 10.589) 10.984 7.471 ( -0.527 9.994 -6.227) 11.787 7.555 ( 6.607 -8.845 -7.635) 13.423 7.624 ( -3.171 -2.645 -1.357) 4.347 7.790 ( -7.706 -3.422 5.500) 10.066 7.932 ( -2.491 -1.882 -2.728) 4.146 8.107 ( 6.995 -7.150 -2.041) 10.209 8.201 ( 11.753 -4.818 6.601) 14.315 8.344 ( -0.260 3.838 0.198) 3.851 8.459 ( -1.662 0.862 -3.871) 4.300 8.742 ( -4.029 -1.881 -4.325) 6.203 8.865 ( 2.411 -3.724 3.647) 5.743 8.958 ( -3.246 -3.430 -2.357) 5.279 9.127 ( -3.998 -2.569 -6.830) 8.320 9.355 ( -8.381 -3.892 -3.338) 9.825 9.401 ( -12.326 -6.578 -2.280) 14.156 9.843 ( 3.125 0.747 12.269) 12.683 10.169 ( -3.475 -4.558 -9.204) 10.842 10.424 ( 4.922 -5.366 0.286) 7.287 10.469 ( 0.700 4.496 -0.189) 4.554 10.759 ( 7.428 -2.448 4.881) 9.219 10.858 ( -1.236 -1.776 1.968) 2.925 10.996 ( -3.430 3.141 2.918) 5.491 11.063 ( 3.676 -0.690 -7.200) 8.114 11.594 ( -5.975 7.428 1.890) 9.719 11.630 ( -6.090 0.375 -2.527) 6.604 12.141 ( -0.986 -1.511 1.826) 2.567 12.165 ( -0.295 -0.193 0.636) 0.727 12.551 ( 0.983 2.084 9.383) 9.662 12.668 ( -0.192 3.230 2.244) 3.938 12.952 ( -0.643 -0.154 -0.475) 0.814 13.028 ( -0.092 -0.206 -7.969) 7.972 14.129 ( 3.441 -3.765 1.772) 5.399 14.308 ( -3.486 -0.191 -6.551) 7.423 14.602 ( 4.137 -5.285 6.204) 9.140 14.759 ( -1.750 -5.821 -0.470) 6.097 15.970 ( 1.816 1.751 -1.620) 2.998 16.003 ( 0.433 0.822 -2.357) 2.534 17.413 ( 7.185 -12.923 8.565) 17.088 17.580 ( 5.906 -14.474 -2.265) 15.796 18.270 ( -0.767 3.309 3.088) 4.591 18.393 ( -2.087 1.884 -5.772) 6.421 19.051 ( 3.945 8.379 -1.151) 9.332 19.134 ( -3.806 5.352 0.258) 6.573 19.220 ( -0.430 5.307 7.037) 8.824 19.363 ( -0.700 5.657 -3.651) 6.770 19.510 ( 2.938 5.638 5.245) 8.242 19.738 ( -3.875 3.434 -5.143) 7.298 20.143 ( -1.008 -1.693 1.170) 2.292 20.237 ( -0.536 -0.301 -5.959) 5.991 20.857 ( 7.924 -1.360 6.315) 10.223 21.174 ( -6.962 -6.222 -5.958) 11.076 ======================= Grid point 144 (74/90) ======================= q-point: (-0.43 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( -8.050 15.910 -5.604) 18.691 2.300 ( 1.679 12.434 -5.633) 13.753 3.136 ( -1.659 22.682 10.856) 25.201 3.298 ( -3.483 9.206 10.593) 14.460 3.391 ( -7.865 0.727 -0.561) 7.919 3.488 ( -2.718 15.247 5.102) 16.307 3.625 ( 6.247 9.946 -10.067) 15.470 3.829 ( 3.134 -1.013 8.179) 8.817 3.941 ( -2.366 7.208 -1.170) 7.676 4.064 ( -2.359 12.265 -7.651) 14.647 4.151 ( 1.377 14.857 -5.549) 15.919 4.244 ( 10.025 1.161 -17.525) 20.223 4.622 ( -8.613 12.161 -0.286) 14.905 4.703 ( 3.727 9.320 6.884) 12.171 5.034 ( -12.905 6.584 9.396) 17.268 5.233 ( -3.361 -4.071 8.908) 10.355 5.351 ( -3.729 3.801 -1.002) 5.418 5.617 ( 10.328 5.258 -2.999) 11.971 5.677 ( 3.166 -2.037 -2.971) 4.796 5.723 ( -3.111 -0.681 -10.145) 10.633 6.028 ( -0.947 0.393 0.704) 1.244 6.089 ( -4.840 -6.090 2.129) 8.065 6.160 ( -3.590 -5.994 2.369) 7.377 6.200 ( -0.934 -2.196 2.628) 3.550 6.355 ( -4.194 -2.853 0.100) 5.073 6.481 ( 8.691 1.099 -0.002) 8.760 6.652 ( -11.975 3.153 9.809) 15.798 6.809 ( 3.089 -7.194 2.638) 8.262 6.951 ( 2.834 -3.610 10.379) 11.348 7.159 ( 1.848 -7.812 2.921) 8.542 7.294 ( -1.274 -1.563 9.967) 10.169 7.307 ( -5.329 -2.993 -10.397) 12.060 7.364 ( 5.374 -16.480 0.490) 17.341 7.407 ( 0.393 1.505 1.961) 2.503 7.504 ( -4.956 -2.592 -0.990) 5.680 7.642 ( 1.002 0.047 -4.698) 4.804 7.871 ( 7.849 -6.959 -3.617) 11.096 8.010 ( 13.186 -1.604 -7.536) 15.272 8.160 ( -2.153 -10.028 -6.583) 12.187 8.280 ( 2.172 0.227 -9.206) 9.461 8.439 ( -0.495 4.324 -0.460) 4.377 8.496 ( 1.000 0.781 -4.813) 4.977 8.695 ( -4.699 -4.722 4.594) 8.092 8.868 ( -0.407 -3.608 -1.813) 4.058 8.892 ( -3.168 -3.158 2.199) 4.984 8.991 ( 6.513 1.703 3.569) 7.620 9.319 ( 1.512 -6.453 0.366) 6.638 9.359 ( 7.646 -3.553 1.992) 8.663 9.899 ( -0.754 -2.744 10.623) 10.998 10.131 ( 2.790 -1.293 -9.181) 9.682 10.393 ( -6.162 -1.579 2.242) 6.745 10.502 ( 1.256 0.994 -2.419) 2.901 10.743 ( -5.765 3.812 1.600) 7.094 10.871 ( -3.440 -1.925 8.844) 9.682 10.997 ( 3.404 -5.182 -5.945) 8.590 11.108 ( 3.301 0.270 -5.952) 6.811 11.573 ( 4.809 1.422 2.141) 5.452 11.652 ( 7.015 7.419 -2.692) 10.559 12.133 ( 1.121 -0.973 1.510) 2.117 12.213 ( 3.731 0.452 -2.675) 4.613 12.580 ( 0.588 0.841 8.217) 8.281 12.684 ( 1.762 1.744 1.782) 3.053 12.884 ( -5.067 1.046 1.457) 5.375 13.024 ( -0.255 0.417 -5.903) 5.923 14.197 ( 1.714 -4.124 2.815) 5.279 14.208 ( -4.055 0.755 -4.989) 6.474 14.621 ( -3.178 -6.076 5.400) 8.728 14.778 ( 3.715 -6.667 -2.764) 8.118 15.970 ( -1.629 1.669 -1.280) 2.660 16.007 ( 0.242 0.956 -3.091) 3.244 17.442 ( -6.071 -12.703 8.129) 16.257 17.577 ( -5.205 -17.174 -4.425) 18.483 18.276 ( 1.477 2.421 4.422) 5.253 18.387 ( 1.620 4.127 -6.747) 8.074 19.005 ( -6.004 6.558 2.046) 9.124 19.133 ( 0.170 4.253 1.444) 4.495 19.252 ( 4.893 8.233 5.652) 11.121 19.352 ( -0.791 5.060 -4.532) 6.838 19.607 ( 2.957 4.019 3.443) 6.063 19.672 ( 1.272 7.685 -5.969) 9.814 20.099 ( -2.722 -1.750 3.127) 4.499 20.280 ( 4.820 -0.477 -8.174) 9.501 20.976 ( -8.569 -3.658 -2.572) 9.666 21.014 ( 3.204 -4.250 6.772) 8.613 ======================= Grid point 145 (75/90) ======================= q-point: (-0.29 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( -6.265 12.728 -4.770) 14.967 2.331 ( 1.071 14.161 -2.546) 14.428 2.940 ( -16.154 29.120 14.942) 36.499 3.201 ( 0.144 5.107 7.003) 8.669 3.262 ( -8.286 7.862 -9.298) 14.728 3.560 ( -7.657 -0.082 4.162) 8.715 3.672 ( -5.598 15.133 -6.840) 17.525 3.730 ( 3.189 14.841 4.958) 15.969 3.861 ( -5.881 -0.504 -1.008) 5.988 3.979 ( -3.214 11.070 4.503) 12.375 4.060 ( -4.505 17.734 -13.232) 22.581 4.452 ( -4.324 4.235 0.210) 6.056 4.534 ( 6.387 2.032 -4.708) 8.191 4.703 ( -5.802 9.353 20.683) 23.429 4.852 ( 4.503 0.998 -6.669) 8.108 5.232 ( -7.073 9.013 -0.128) 11.457 5.343 ( 9.712 -5.362 -0.175) 11.095 5.538 ( -7.937 3.034 -16.690) 18.729 5.733 ( -8.583 6.587 0.961) 10.862 5.759 ( 0.591 -0.926 -4.257) 4.396 5.842 ( 4.970 -3.807 3.365) 7.107 6.061 ( 3.084 -3.661 5.266) 7.116 6.180 ( -1.277 -9.868 5.833) 11.534 6.228 ( -1.497 2.106 -0.809) 2.708 6.362 ( 3.721 2.654 -3.228) 5.596 6.485 ( -4.139 -2.330 3.558) 5.934 6.641 ( 4.829 3.121 9.206) 10.855 6.865 ( -5.098 -6.725 0.585) 8.459 6.976 ( 1.846 -4.750 1.220) 5.240 7.078 ( -6.100 -2.134 3.843) 7.519 7.145 ( -2.428 -12.967 -1.063) 13.235 7.276 ( -2.626 7.675 0.659) 8.139 7.351 ( -4.238 -4.832 5.157) 8.240 7.465 ( -1.514 -4.625 1.874) 5.214 7.623 ( 5.726 -8.196 0.445) 10.008 7.703 ( 12.773 -9.799 -5.726) 17.087 7.999 ( -2.224 -1.727 -2.905) 4.045 8.118 ( -9.200 5.054 -12.414) 16.257 8.138 ( 3.549 -12.994 -8.371) 15.859 8.259 ( 8.879 -3.721 -8.599) 12.909 8.478 ( 9.540 2.059 1.313) 9.848 8.540 ( 6.033 -2.148 -3.034) 7.087 8.707 ( 2.926 -0.830 5.099) 5.937 8.873 ( 1.993 -6.258 2.375) 6.983 8.899 ( 1.404 -5.094 6.166) 8.120 9.148 ( 7.662 2.928 1.027) 8.266 9.387 ( 2.781 -4.265 3.960) 6.450 9.667 ( 16.644 -7.112 8.380) 19.946 9.825 ( -6.347 -6.339 4.099) 9.862 10.216 ( -5.716 -7.714 0.643) 9.622 10.252 ( 2.047 5.423 -3.335) 6.687 10.482 ( -2.802 1.292 -1.990) 3.672 10.617 ( -4.568 4.915 0.933) 6.774 10.863 ( 2.136 -0.328 4.048) 4.588 10.991 ( 0.030 -4.970 -8.004) 9.422 11.213 ( 5.751 -0.755 -5.337) 7.882 11.750 ( 8.235 -1.747 2.351) 8.740 11.820 ( 8.528 10.859 -2.035) 13.956 12.169 ( 1.802 -4.114 -1.247) 4.662 12.279 ( 1.365 1.501 -1.972) 2.829 12.610 ( 2.141 -0.226 4.776) 5.239 12.718 ( -2.114 5.609 -5.862) 8.384 12.832 ( 3.751 0.117 12.308) 12.868 12.981 ( -2.666 -0.072 -5.068) 5.727 14.120 ( -1.871 2.216 -3.862) 4.829 14.256 ( 2.917 -2.169 5.170) 6.319 14.544 ( -4.244 -4.264 0.801) 6.070 14.827 ( 0.445 -8.967 -2.657) 9.363 15.931 ( -1.352 1.255 -1.166) 2.183 15.994 ( -0.709 0.019 -2.651) 2.744 17.212 ( -15.472 -9.858 5.934) 19.281 17.344 ( -16.471 -17.642 -5.628) 24.783 18.342 ( 3.222 1.804 7.057) 7.965 18.421 ( 2.503 5.273 -7.818) 9.756 18.912 ( -2.710 6.448 2.358) 7.382 19.103 ( -1.893 1.641 2.897) 3.830 19.295 ( -3.599 3.442 -3.956) 6.360 19.390 ( 5.381 6.104 2.998) 8.672 19.602 ( -0.303 5.748 -3.959) 6.986 19.816 ( 8.526 7.019 -0.738) 11.068 20.048 ( -1.767 -0.649 3.010) 3.550 20.422 ( 9.974 0.931 -7.077) 12.265 20.746 ( -10.733 0.059 -3.667) 11.342 21.074 ( -0.449 -6.130 11.064) 12.657 ======================= Grid point 146 (76/90) ======================= q-point: (-0.14 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( -0.492 16.613 6.697) 17.918 2.406 ( 7.984 7.438 -6.101) 12.502 2.620 ( -17.371 23.312 22.913) 37.016 2.939 ( -18.985 9.498 -14.832) 25.896 3.190 ( -3.707 11.422 -0.993) 12.050 3.357 ( -5.828 0.609 -3.183) 6.668 3.480 ( -3.268 10.627 -1.635) 11.238 3.704 ( -10.470 7.525 4.117) 13.535 3.853 ( -6.506 13.757 -2.831) 15.479 3.944 ( 5.465 13.603 9.950) 17.717 4.093 ( 10.989 20.938 1.709) 23.708 4.380 ( 0.612 -5.023 0.694) 5.108 4.478 ( -7.531 19.731 15.496) 26.195 4.692 ( -0.081 4.890 4.309) 6.518 4.944 ( -12.760 3.372 -1.048) 13.240 5.116 ( 6.007 -7.622 -5.730) 11.269 5.345 ( -1.187 3.416 -21.563) 21.864 5.581 ( 7.455 -2.731 -5.697) 9.772 5.714 ( -0.289 1.851 2.080) 2.800 5.784 ( 9.033 -5.869 -1.852) 10.930 5.922 ( -0.182 2.275 -3.795) 4.428 6.084 ( -3.648 1.273 5.708) 6.893 6.110 ( -1.117 -3.172 -5.726) 6.641 6.259 ( 0.883 3.906 5.551) 6.845 6.371 ( 3.040 -1.513 -2.975) 4.514 6.505 ( 3.044 -6.467 4.332) 8.358 6.690 ( -0.472 6.008 3.477) 6.957 6.796 ( -10.061 4.944 1.828) 11.358 6.852 ( 3.619 -9.949 0.446) 10.596 6.993 ( -1.391 -13.801 1.339) 13.935 7.136 ( -5.812 -1.104 -1.528) 6.110 7.282 ( 0.356 0.899 -7.197) 7.262 7.319 ( -2.241 -5.510 6.498) 8.810 7.383 ( -1.727 -13.390 2.498) 13.730 7.614 ( -8.281 -4.382 -1.018) 9.424 7.853 ( -5.519 -2.698 -9.563) 11.366 7.877 ( 4.066 -6.661 -5.175) 9.364 7.945 ( -0.378 -0.048 -1.122) 1.185 8.338 ( 8.476 -5.077 -1.188) 9.951 8.513 ( 14.731 0.921 -0.600) 14.772 8.662 ( 6.767 -5.734 6.902) 11.239 8.732 ( -0.026 -5.509 6.546) 8.555 8.787 ( 11.766 -2.814 -3.194) 12.513 8.904 ( 3.469 -7.953 1.188) 8.757 9.032 ( 7.864 -6.202 11.419) 15.189 9.329 ( 8.489 1.810 1.893) 8.883 9.440 ( 2.562 1.001 0.727) 2.845 9.680 ( -6.923 -10.190 1.753) 12.444 9.860 ( -1.634 -1.439 2.954) 3.670 10.081 ( -3.508 -4.279 0.315) 5.542 10.228 ( -3.734 4.677 1.094) 6.084 10.411 ( -2.286 -3.096 -5.709) 6.885 10.639 ( 1.502 -0.505 1.579) 2.237 10.826 ( -5.586 -7.091 -11.243) 14.418 11.074 ( 9.578 -0.553 1.733) 9.749 11.395 ( 13.003 2.923 -1.872) 13.458 11.781 ( -5.195 4.217 -0.244) 6.695 12.010 ( 8.071 3.287 0.666) 8.740 12.177 ( -8.260 0.519 -0.359) 8.284 12.231 ( 0.731 -1.414 -4.359) 4.641 12.615 ( -4.651 7.766 4.804) 10.248 12.697 ( 5.189 -1.216 -0.403) 5.344 12.943 ( 0.361 0.674 -2.247) 2.374 13.017 ( 8.580 -2.234 3.739) 9.622 14.136 ( 3.344 1.455 -1.613) 3.988 14.330 ( 0.938 -2.480 4.484) 5.209 14.455 ( -1.758 -1.793 -0.184) 2.518 14.788 ( -3.313 -6.090 -3.529) 7.779 15.933 ( 1.980 -0.534 -0.419) 2.093 15.997 ( 1.677 -1.292 -1.995) 2.908 16.862 ( -17.135 -7.141 5.056) 19.240 16.929 ( -19.503 -10.871 -5.634) 23.028 18.387 ( -0.427 3.243 9.233) 9.796 18.475 ( 3.601 6.179 -8.432) 11.057 18.907 ( 1.819 4.303 2.034) 5.095 19.079 ( -0.930 0.821 0.419) 1.309 19.228 ( -1.126 0.598 -1.321) 1.836 19.435 ( -1.787 0.733 -0.198) 1.941 19.607 ( 1.304 5.726 -0.358) 5.884 19.851 ( -4.536 0.872 -6.857) 8.267 20.153 ( 10.224 6.185 5.020) 12.961 20.529 ( -7.818 2.126 -0.235) 8.105 20.698 ( 15.116 2.324 -8.460) 17.477 21.014 ( -6.668 -5.816 11.240) 14.305 ======================= Grid point 147 (77/90) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 9.775 12.213 4.289) 16.220 2.489 ( -6.258 5.154 -7.689) 11.173 2.647 ( -14.314 20.174 21.723) 32.920 3.079 ( 8.731 9.323 -15.511) 20.094 3.337 ( 3.935 7.604 3.833) 9.381 3.493 ( -2.176 2.135 -1.957) 3.622 3.546 ( -7.556 5.104 8.239) 12.289 3.679 ( 12.161 3.095 -7.872) 14.814 4.069 ( 1.896 11.604 -2.085) 11.941 4.166 ( -9.243 4.059 -4.815) 11.184 4.290 ( 7.291 -8.373 6.761) 12.999 4.433 ( -7.439 -9.226 -4.843) 12.802 4.592 ( -7.754 15.856 18.235) 25.379 4.854 ( -0.458 9.489 0.603) 9.519 5.101 ( 2.085 14.003 12.645) 18.982 5.191 ( -7.282 19.218 -2.402) 20.691 5.402 ( 7.395 -4.132 -4.747) 9.711 5.468 ( -2.662 -7.650 -13.957) 16.137 5.726 ( 2.000 8.539 5.515) 10.361 5.886 ( 1.864 -1.891 -9.096) 9.476 5.906 ( 1.143 -7.774 1.721) 8.044 6.033 ( -3.128 3.602 -8.263) 9.541 6.218 ( 1.320 -11.067 4.184) 11.905 6.273 ( 10.387 13.386 6.318) 18.083 6.448 ( 1.699 -4.752 -1.730) 5.335 6.560 ( 0.031 3.270 -4.674) 5.705 6.645 ( 2.678 4.024 4.081) 6.327 6.672 ( -3.803 -6.385 0.471) 7.447 6.766 ( 7.304 -10.336 0.984) 12.695 6.868 ( -6.101 -0.818 -5.760) 8.431 6.970 ( 2.406 -0.137 4.072) 4.732 7.043 ( -3.621 -6.667 -0.032) 7.587 7.147 ( -4.426 -10.845 -2.308) 11.938 7.230 ( 4.825 -6.342 -4.996) 9.406 7.447 ( -2.283 0.530 4.357) 4.947 7.603 ( 0.540 -4.735 -9.063) 10.239 7.956 ( -3.712 5.926 5.908) 9.154 8.095 ( -0.443 4.936 -5.898) 7.704 8.289 ( -9.609 -10.521 5.996) 15.459 8.379 ( 5.074 -9.585 -1.737) 10.984 8.635 ( 1.374 -6.407 5.867) 8.796 8.679 ( 3.030 -7.223 2.725) 8.294 8.865 ( 3.885 0.030 1.515) 4.170 8.883 ( -1.923 -2.140 0.677) 2.955 9.187 ( 9.153 0.560 5.271) 10.577 9.294 ( -3.567 -7.533 -0.795) 8.373 9.461 ( 0.460 0.497 1.553) 1.695 9.538 ( -2.740 2.426 -7.567) 8.405 9.869 ( 7.270 1.437 8.224) 11.071 10.049 ( -6.051 0.090 -7.893) 9.946 10.165 ( -1.355 -5.491 5.013) 7.557 10.253 ( -1.650 -8.323 -0.819) 8.524 10.516 ( -7.480 2.391 0.937) 7.909 10.619 ( 3.740 -5.376 -9.278) 11.357 11.277 ( 5.459 0.724 5.335) 7.667 11.436 ( -1.896 -5.192 -7.991) 9.717 11.937 ( 3.453 8.188 3.559) 9.573 12.042 ( -7.128 5.456 -5.691) 10.628 12.207 ( -0.888 1.439 0.731) 1.842 12.214 ( 0.660 1.948 0.414) 2.098 12.662 ( -5.331 3.221 10.269) 12.010 12.791 ( 7.257 -3.444 0.957) 8.090 12.952 ( -2.427 2.192 -1.236) 3.496 13.031 ( 0.769 -2.523 -5.665) 6.249 14.168 ( -4.606 -0.067 3.361) 5.703 14.225 ( 3.225 -1.811 -1.733) 4.085 14.549 ( 1.785 1.389 6.260) 6.656 14.668 ( 1.193 -3.229 -4.662) 5.795 15.949 ( 0.767 -1.079 0.127) 1.330 15.966 ( -0.897 -1.663 -1.393) 2.347 16.554 ( -1.094 -2.542 2.186) 3.526 16.591 ( 0.912 -4.293 -1.212) 4.553 18.460 ( -1.344 4.234 6.001) 7.466 18.577 ( 0.347 -0.592 -4.704) 4.754 19.031 ( 2.932 3.187 1.034) 4.452 19.092 ( 1.696 1.014 -4.262) 4.698 19.239 ( 1.626 -0.731 2.062) 2.726 19.295 ( -4.752 -2.307 -2.784) 5.971 19.725 ( 0.371 3.099 2.149) 3.790 19.771 ( -3.499 1.195 -2.282) 4.345 20.481 ( -4.838 6.110 2.970) 8.340 20.534 ( 6.142 9.282 -1.391) 11.217 20.739 ( -8.266 -4.544 7.899) 12.303 20.920 ( 9.790 -7.107 -8.758) 14.935 ======================= Grid point 148 (78/90) ======================= q-point: ( 0.14 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( -3.778 14.390 -8.354) 17.063 2.412 ( -1.991 10.078 7.266) 12.583 2.773 ( 18.132 14.397 15.623) 27.931 3.292 ( 1.369 -6.495 3.018) 7.292 3.392 ( 6.583 7.548 -7.827) 12.711 3.521 ( 11.913 9.111 4.438) 15.641 3.621 ( 11.349 8.529 -14.864) 20.555 3.927 ( -2.321 7.898 1.858) 8.439 4.063 ( 11.906 2.524 5.198) 13.234 4.097 ( -0.009 15.896 0.260) 15.898 4.266 ( -6.853 -6.788 -3.941) 10.420 4.390 ( -2.264 -8.936 6.365) 11.203 4.527 ( 1.734 10.925 14.571) 18.294 4.826 ( 0.240 1.616 7.442) 7.619 4.975 ( -11.237 25.184 -5.195) 28.063 5.180 ( 3.296 7.763 12.045) 14.704 5.349 ( -5.355 -4.226 -9.713) 11.869 5.571 ( 4.768 -4.402 1.005) 6.567 5.766 ( -4.747 2.892 -5.569) 7.868 5.824 ( 4.196 2.131 -5.635) 7.342 5.918 ( 1.373 -7.225 -3.372) 8.091 6.023 ( 1.866 9.954 -5.174) 11.373 6.309 ( 1.552 -1.855 -2.596) 3.548 6.365 ( -3.462 6.785 3.696) 8.467 6.414 ( -5.529 7.349 -1.396) 9.302 6.541 ( 0.930 -12.718 -0.241) 12.754 6.563 ( -2.730 -9.218 -2.503) 9.935 6.595 ( -7.398 -3.007 -3.366) 8.666 6.805 ( 11.044 -5.824 -5.598) 13.683 6.938 ( -4.811 -17.815 1.996) 18.561 7.060 ( 5.454 -4.600 2.041) 7.421 7.096 ( 6.391 0.106 1.083) 6.482 7.178 ( 11.479 3.431 -0.164) 11.982 7.370 ( 6.135 -4.090 -3.756) 8.274 7.521 ( 7.701 1.576 5.715) 9.719 7.627 ( 1.562 -2.721 -7.833) 8.438 7.836 ( -5.257 4.666 7.420) 10.221 8.012 ( -7.624 1.955 -0.345) 7.878 8.111 ( -6.736 -5.722 9.494) 12.972 8.340 ( -10.086 -13.608 2.483) 17.120 8.567 ( -6.522 -1.787 -3.924) 7.818 8.701 ( -1.291 1.598 4.438) 4.891 8.848 ( -2.078 -2.804 -3.803) 5.161 8.913 ( -0.198 -1.313 -5.031) 5.203 9.093 ( -9.108 -2.681 -6.754) 11.652 9.351 ( 6.232 -4.188 6.290) 9.795 9.400 ( -1.859 2.657 -0.895) 3.363 9.536 ( -7.580 3.535 -4.475) 9.486 9.879 ( -2.322 -5.766 -1.766) 6.462 10.018 ( -2.283 -4.371 6.347) 8.038 10.100 ( 1.668 -9.272 -0.465) 9.432 10.304 ( 3.789 -11.896 6.007) 13.855 10.502 ( 4.869 9.572 -0.070) 10.739 10.724 ( 6.611 -1.378 -2.126) 7.079 11.196 ( -9.397 0.975 -3.475) 10.066 11.314 ( -9.346 -3.588 -4.156) 10.839 11.907 ( -1.861 4.698 -0.225) 5.058 12.044 ( 0.470 2.235 2.416) 3.325 12.114 ( -6.340 0.194 0.919) 6.409 12.234 ( 0.161 2.902 2.648) 3.932 12.595 ( -1.964 3.491 8.386) 9.294 12.848 ( -5.760 -2.125 4.789) 7.787 12.914 ( 2.378 3.796 -4.736) 6.519 13.043 ( 2.055 -2.401 -5.394) 6.252 14.102 ( -2.105 2.219 2.793) 4.142 14.294 ( 2.343 -5.044 3.646) 6.650 14.523 ( -2.324 3.160 -3.118) 5.011 14.682 ( -0.086 -3.716 -3.445) 5.068 15.942 ( -0.077 0.160 -1.132) 1.146 15.955 ( 0.441 -0.673 -0.283) 0.853 16.694 ( 12.422 -3.533 2.753) 13.205 16.776 ( 14.191 -7.130 -1.448) 15.947 18.428 ( -2.166 4.531 5.193) 7.224 18.543 ( -2.826 -1.455 -3.554) 4.768 19.074 ( 1.958 3.905 -4.383) 6.188 19.155 ( 3.200 0.409 -4.951) 5.909 19.218 ( 0.487 1.918 2.083) 2.873 19.354 ( 5.490 -2.799 3.574) 7.124 19.698 ( -3.201 3.809 1.282) 5.138 19.747 ( 1.494 0.854 4.428) 4.751 20.341 ( -7.391 5.503 -0.858) 9.254 20.520 ( -10.163 -1.753 5.295) 11.593 20.679 ( 4.544 7.647 -2.261) 9.178 21.062 ( 4.577 -9.337 -7.531) 12.839 ======================= Grid point 149 (79/90) ======================= q-point: ( 0.29 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( 4.349 16.065 -10.563) 19.713 2.472 ( 6.613 12.238 8.056) 16.075 3.149 ( 13.434 -2.135 3.921) 14.156 3.297 ( 1.686 -0.379 -0.529) 1.808 3.504 ( -1.034 3.534 2.230) 4.305 3.708 ( 1.124 6.765 7.493) 10.158 3.849 ( 16.428 18.353 3.066) 24.821 3.989 ( -4.049 5.354 2.992) 7.350 4.075 ( 6.327 5.574 -8.444) 11.933 4.148 ( -4.407 5.504 5.568) 8.984 4.207 ( -1.262 2.732 -6.919) 7.545 4.364 ( 6.526 13.259 6.578) 16.176 4.737 ( 6.312 11.849 3.157) 13.792 4.772 ( 4.362 14.237 0.105) 14.890 4.968 ( 10.139 0.764 2.738) 10.530 5.249 ( 1.318 0.039 2.119) 2.496 5.310 ( 4.320 0.528 1.374) 4.564 5.564 ( -6.732 1.167 -3.551) 7.700 5.669 ( -1.847 2.310 -6.208) 6.877 5.825 ( -4.242 -3.972 -1.608) 6.030 5.881 ( -5.677 -12.352 2.491) 13.821 6.050 ( -5.231 -3.905 -0.761) 6.572 6.168 ( 0.152 -0.728 -9.687) 9.715 6.349 ( -0.783 8.823 -4.843) 10.096 6.420 ( 3.229 -3.714 1.794) 5.239 6.463 ( -2.886 0.028 1.632) 3.315 6.567 ( 0.891 -9.946 0.358) 9.992 6.662 ( 4.944 -16.428 2.674) 17.363 6.715 ( -4.846 -9.663 3.326) 11.310 7.060 ( 3.262 -11.279 -3.347) 12.209 7.148 ( -0.259 7.279 -4.628) 8.629 7.198 ( 2.214 -7.125 6.376) 9.815 7.362 ( 6.662 4.463 -4.310) 9.104 7.402 ( -5.468 -1.864 2.480) 6.287 7.572 ( 0.588 -1.428 -2.911) 3.295 7.667 ( -0.255 5.658 -1.043) 5.759 7.870 ( 2.489 -1.239 3.961) 4.839 7.914 ( 5.899 2.813 7.105) 9.654 7.978 ( -10.836 -3.235 3.852) 11.946 8.130 ( -0.101 2.161 0.826) 2.315 8.506 ( 0.585 1.434 -2.364) 2.826 8.621 ( -8.637 0.936 -2.257) 8.976 8.712 ( -4.629 0.017 -1.280) 4.802 8.839 ( -5.685 -2.658 -9.279) 11.202 8.993 ( -1.815 4.080 -1.847) 4.833 9.227 ( -8.414 4.901 -2.900) 10.160 9.407 ( -1.747 -0.540 -3.099) 3.598 9.577 ( 8.522 -13.258 5.250) 16.612 9.620 ( -18.493 -10.929 -5.500) 22.174 10.011 ( -1.775 -12.491 5.040) 13.586 10.190 ( 6.053 -1.459 2.760) 6.810 10.450 ( 8.237 -7.469 4.865) 12.137 10.622 ( 4.155 8.023 -0.497) 9.049 10.828 ( 2.145 0.180 -0.567) 2.225 11.052 ( -2.033 0.930 -3.864) 4.464 11.098 ( -8.301 -2.764 -2.048) 8.985 11.809 ( -7.984 2.104 -2.002) 8.496 11.977 ( -7.231 8.119 2.109) 11.075 12.018 ( -1.139 -4.784 2.277) 5.419 12.213 ( -3.268 -0.759 3.622) 4.937 12.588 ( -0.064 2.895 8.376) 8.863 12.739 ( -3.990 -1.609 4.784) 6.434 12.954 ( 2.201 3.850 -3.704) 5.778 13.060 ( -0.229 0.226 -7.145) 7.152 14.085 ( 0.065 2.933 3.974) 4.940 14.326 ( 0.400 -5.222 7.171) 8.880 14.493 ( -0.019 2.150 -8.602) 8.867 14.663 ( -0.846 -5.053 -2.768) 5.824 15.966 ( 2.164 1.585 -1.194) 2.936 15.986 ( 2.273 0.336 -0.795) 2.431 16.979 ( 12.544 -6.239 3.534) 14.449 17.083 ( 13.590 -10.622 -2.348) 17.408 18.390 ( -1.886 4.224 3.692) 5.918 18.471 ( -2.963 -0.289 -3.442) 4.550 19.116 ( 2.697 4.160 -4.318) 6.574 19.192 ( 1.979 -0.147 -2.598) 3.269 19.286 ( 3.021 4.935 4.553) 7.362 19.431 ( 0.959 -0.938 3.101) 3.379 19.652 ( -1.095 6.818 4.026) 7.993 19.800 ( 2.323 -0.414 4.451) 5.038 20.193 ( -5.605 3.006 -4.857) 8.003 20.316 ( -8.545 -1.799 1.436) 8.849 20.769 ( 4.165 5.748 -0.900) 7.155 21.096 ( -0.362 -9.008 -5.841) 10.742 ======================= Grid point 150 (80/90) ======================= q-point: ( 0.43 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( 7.243 16.510 -4.397) 18.557 2.622 ( 2.811 12.880 -2.236) 13.371 3.194 ( -4.868 1.000 5.508) 7.419 3.385 ( 5.040 -7.900 -0.320) 9.377 3.539 ( 3.314 -4.079 -1.929) 5.598 3.580 ( -10.230 0.919 12.933) 16.515 3.931 ( 2.104 7.360 -6.484) 10.031 4.025 ( -0.684 0.363 -7.903) 7.941 4.116 ( 4.375 31.521 0.724) 31.832 4.194 ( -0.108 19.744 0.966) 19.768 4.351 ( 12.107 14.789 4.956) 19.745 4.542 ( 11.435 17.083 1.453) 20.608 4.704 ( -1.513 15.646 3.820) 16.177 5.040 ( 1.870 0.406 -5.350) 5.682 5.169 ( 3.251 -1.989 7.831) 8.709 5.284 ( 2.600 0.491 0.875) 2.787 5.354 ( 0.512 -7.875 -3.985) 8.841 5.515 ( 3.490 -0.422 -3.787) 5.167 5.551 ( -4.202 3.174 3.821) 6.506 5.688 ( -6.674 -9.875 -6.679) 13.663 5.817 ( -0.268 -3.686 6.022) 7.066 5.980 ( -0.377 -12.914 -4.413) 13.653 6.181 ( 0.627 -4.927 -0.471) 4.989 6.319 ( -0.881 -0.846 -1.092) 1.638 6.387 ( -2.451 11.298 -5.016) 12.602 6.438 ( -6.223 -10.913 5.529) 13.725 6.559 ( 2.931 -13.307 7.575) 15.590 6.705 ( -0.687 0.381 -5.523) 5.578 6.838 ( 7.912 -5.759 9.493) 13.634 6.921 ( -3.471 -12.209 2.639) 12.964 7.061 ( -7.758 -7.845 5.332) 12.254 7.148 ( -8.511 -1.875 -3.032) 9.228 7.292 ( -2.133 -6.295 4.445) 7.996 7.456 ( 1.088 -9.143 -11.636) 14.838 7.593 ( -2.826 5.449 5.106) 7.984 7.712 ( 2.468 -1.706 -2.513) 3.913 7.777 ( 4.549 12.817 -6.347) 15.009 7.955 ( -1.856 -2.225 -2.334) 3.720 8.087 ( -1.298 12.774 10.036) 16.297 8.253 ( 16.994 6.395 3.515) 18.495 8.436 ( -3.972 4.740 -7.545) 9.756 8.517 ( 0.183 3.488 1.131) 3.671 8.674 ( -5.028 -5.212 -5.026) 8.815 8.815 ( 8.344 -0.646 1.690) 8.538 8.920 ( -5.601 -0.751 -4.553) 7.257 9.096 ( -9.356 -2.066 -6.086) 11.351 9.240 ( -9.068 -3.952 0.766) 9.922 9.362 ( -2.683 0.705 -5.967) 6.580 9.727 ( 4.834 -11.376 7.506) 14.461 9.943 ( -3.509 -13.419 -3.861) 14.398 10.357 ( 8.270 -0.425 5.477) 9.928 10.589 ( 2.177 4.248 0.610) 4.812 10.637 ( -0.425 -6.981 1.990) 7.272 10.805 ( -2.892 -3.464 -4.109) 6.103 11.013 ( -0.243 0.738 -0.750) 1.080 11.064 ( 0.842 0.318 -2.636) 2.786 11.695 ( 0.215 6.193 -0.953) 6.269 11.791 ( -9.066 10.058 1.877) 13.670 12.043 ( 2.593 -7.352 1.337) 7.910 12.125 ( -4.034 -3.917 1.456) 5.808 12.608 ( 0.719 3.014 9.530) 10.021 12.705 ( -0.719 -0.361 5.269) 5.330 12.967 ( -0.781 2.037 -3.434) 4.068 13.036 ( -0.566 0.201 -7.362) 7.387 14.117 ( 2.312 2.797 6.141) 7.133 14.328 ( -0.924 -0.490 -1.219) 1.606 14.488 ( -0.007 -3.096 0.526) 3.141 14.643 ( -0.672 -5.416 -4.828) 7.286 16.011 ( 1.715 1.972 -1.029) 2.808 16.025 ( 1.094 1.181 -1.208) 2.013 17.178 ( 5.319 -8.415 3.885) 10.686 17.280 ( 4.670 -12.746 -3.288) 13.967 18.360 ( -1.239 4.338 3.155) 5.505 18.433 ( -0.141 1.169 -3.876) 4.051 19.171 ( 1.886 3.422 -0.563) 3.948 19.200 ( -1.864 1.444 0.655) 2.447 19.329 ( 1.302 4.975 5.608) 7.609 19.430 ( -0.030 0.812 -1.018) 1.302 19.675 ( 2.448 8.999 5.609) 10.882 19.823 ( -0.155 3.645 -1.761) 4.051 20.108 ( -2.906 -1.155 0.748) 3.215 20.203 ( -1.247 -2.988 -5.951) 6.774 20.854 ( 3.784 1.435 2.306) 4.658 21.039 ( -4.244 -6.555 -4.597) 9.061 ======================= Grid point 151 (81/90) ======================= q-point: (-0.43 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( -11.514 16.822 -5.792) 21.192 2.598 ( 4.153 15.240 -0.566) 15.805 3.169 ( -4.661 -7.304 10.641) 13.722 3.309 ( 0.055 -7.967 1.923) 8.196 3.544 ( -1.278 4.164 -2.867) 5.214 3.639 ( 2.588 -1.910 9.514) 10.043 3.971 ( -0.914 22.686 -5.109) 23.272 4.025 ( 2.721 3.831 -11.869) 12.765 4.132 ( 4.137 17.911 -3.180) 18.655 4.253 ( 4.941 14.032 -3.982) 15.400 4.487 ( -12.551 23.336 -5.079) 26.979 4.554 ( -0.776 16.939 1.514) 17.024 4.792 ( 2.890 7.710 8.670) 11.957 4.884 ( -6.280 1.081 -8.511) 10.632 5.017 ( -11.376 -5.016 14.028) 18.745 5.237 ( -5.729 5.158 5.927) 9.724 5.430 ( -0.481 -0.594 0.489) 0.908 5.566 ( 6.732 -3.534 6.274) 9.858 5.594 ( 3.578 -12.133 -16.188) 20.544 5.681 ( 4.148 -6.617 -6.157) 9.945 5.857 ( 3.649 -5.220 5.677) 8.532 5.947 ( -3.384 -11.088 -5.979) 13.044 6.137 ( -2.721 0.699 8.698) 9.140 6.242 ( -8.719 10.610 -1.064) 13.774 6.375 ( -0.040 0.466 -0.572) 0.739 6.475 ( 11.499 -6.162 4.399) 13.767 6.582 ( 1.363 -3.340 2.277) 4.265 6.674 ( -6.055 -2.992 -1.561) 6.932 6.816 ( -6.832 -16.422 7.099) 19.151 6.982 ( 1.140 -6.374 3.539) 7.379 7.048 ( 4.920 -6.276 2.285) 8.296 7.148 ( -6.270 -4.403 10.359) 12.884 7.180 ( 13.033 -9.893 -1.664) 16.447 7.444 ( 0.148 -10.368 -6.115) 12.038 7.532 ( -2.908 8.585 4.555) 10.144 7.753 ( 1.628 4.564 -0.545) 4.876 7.766 ( -8.764 3.465 -5.932) 11.136 7.957 ( 7.439 -1.766 -2.663) 8.097 8.120 ( 1.100 6.989 5.433) 8.920 8.375 ( -0.321 5.931 -12.788) 14.100 8.517 ( 0.424 3.002 -2.307) 3.810 8.542 ( -1.072 -3.540 -1.037) 3.841 8.656 ( -0.426 3.924 2.440) 4.640 8.744 ( -1.534 -6.862 -3.860) 8.021 8.871 ( -0.648 1.163 -0.164) 1.342 9.039 ( 9.337 1.986 -0.551) 9.562 9.248 ( 2.548 -0.790 2.793) 3.862 9.327 ( 2.462 1.439 -4.865) 5.639 9.756 ( -4.281 -8.976 5.351) 11.293 9.951 ( 6.679 -14.611 -5.241) 16.899 10.424 ( -7.183 2.966 1.568) 7.928 10.554 ( 2.871 3.438 -0.976) 4.584 10.699 ( -0.120 -9.171 4.245) 10.106 10.747 ( 0.945 -4.909 -3.442) 6.069 10.978 ( -2.616 2.968 0.446) 3.981 11.095 ( 1.885 -1.405 -3.915) 4.566 11.671 ( -0.684 7.566 1.463) 7.736 11.828 ( 10.345 8.912 -1.497) 13.736 12.048 ( -1.618 -7.061 1.147) 7.334 12.156 ( 6.234 -5.323 -1.938) 8.423 12.631 ( -0.037 3.170 9.700) 10.204 12.707 ( 0.698 0.038 5.439) 5.484 12.924 ( -2.502 2.818 -1.906) 4.223 13.022 ( -0.232 -0.875 -6.188) 6.254 14.187 ( 3.282 3.231 7.713) 8.983 14.278 ( -2.966 4.838 -8.275) 10.034 14.488 ( -0.860 -6.190 7.259) 9.579 14.622 ( -0.486 -7.955 -5.973) 9.960 16.011 ( -1.613 2.001 -0.838) 2.703 16.028 ( -0.677 1.022 -1.646) 2.052 17.195 ( -4.394 -9.449 4.264) 11.260 17.261 ( -5.748 -12.343 -3.606) 14.085 18.356 ( 0.658 4.433 3.118) 5.459 18.447 ( 1.759 1.154 -4.593) 5.052 19.106 ( -5.111 3.459 3.703) 7.197 19.176 ( -2.721 0.299 3.168) 4.187 19.398 ( 4.529 5.196 2.037) 7.188 19.437 ( 0.084 2.903 -2.692) 3.960 19.722 ( 0.411 6.803 2.854) 7.389 19.845 ( 3.983 7.043 -5.827) 9.971 20.059 ( -1.661 -1.121 3.851) 4.341 20.238 ( 4.967 -3.820 -7.632) 9.875 20.909 ( -4.443 -2.472 -0.072) 5.085 20.931 ( -0.211 -3.388 2.549) 4.245 ======================= Grid point 152 (82/90) ======================= q-point: (-0.29 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( -6.420 17.016 -3.078) 18.445 2.611 ( -2.682 10.708 -3.499) 11.580 3.115 ( 2.142 -3.908 1.849) 4.825 3.358 ( -0.708 -2.288 -0.182) 2.402 3.431 ( -11.232 8.613 8.506) 16.513 3.536 ( -10.899 0.926 9.294) 14.353 3.848 ( -7.691 8.824 5.520) 12.942 4.069 ( -15.825 18.161 -2.981) 24.272 4.130 ( -1.429 15.069 -0.614) 15.149 4.196 ( -2.977 10.380 -7.471) 13.131 4.398 ( 7.378 -0.543 -20.996) 22.261 4.463 ( -1.278 7.363 2.433) 7.860 4.725 ( -3.740 17.373 -0.209) 17.772 4.840 ( 0.615 5.443 0.006) 5.477 4.923 ( 0.144 8.778 5.736) 10.487 5.222 ( 2.145 -5.665 -4.886) 7.782 5.424 ( 1.136 -1.019 -3.186) 3.533 5.586 ( 0.172 3.205 -5.465) 6.338 5.664 ( -2.166 -7.138 1.759) 7.664 5.752 ( 3.915 -6.790 -4.316) 8.948 5.878 ( -2.495 -4.252 5.635) 7.487 5.953 ( -13.169 8.767 7.925) 17.695 6.020 ( 11.427 -1.462 3.607) 12.072 6.221 ( 5.135 -1.628 5.153) 7.455 6.394 ( 0.777 0.770 1.436) 1.805 6.528 ( -1.825 -7.198 1.376) 7.552 6.557 ( -11.441 1.316 0.790) 11.544 6.673 ( -2.125 -13.883 0.400) 14.050 6.691 ( 6.240 -15.121 1.779) 16.454 6.924 ( -1.477 -7.645 8.174) 11.289 7.119 ( 4.286 0.646 1.758) 4.678 7.255 ( -1.085 -2.675 2.656) 3.923 7.374 ( 0.011 -2.940 -1.694) 3.393 7.397 ( -4.042 -5.363 -2.591) 7.198 7.539 ( 3.774 -0.955 -1.808) 4.292 7.582 ( -1.922 7.011 4.442) 8.519 7.931 ( 13.390 -2.430 0.690) 13.627 7.992 ( -3.033 0.661 -4.060) 5.111 8.165 ( 2.148 -1.602 -6.893) 7.395 8.277 ( -2.498 3.862 -10.515) 11.477 8.506 ( -5.002 -1.355 -1.468) 5.386 8.552 ( 7.981 2.972 0.072) 8.517 8.626 ( 3.251 -5.627 6.663) 9.307 8.748 ( 1.362 -6.041 0.286) 6.199 8.952 ( 1.107 8.513 0.816) 8.624 9.212 ( 5.661 0.280 1.652) 5.904 9.338 ( 7.134 2.574 -0.284) 7.590 9.514 ( 13.259 -7.144 3.392) 15.439 9.621 ( -7.683 -8.151 1.829) 11.349 10.115 ( 6.831 -13.886 -4.669) 16.164 10.246 ( -7.480 3.887 -1.324) 8.533 10.568 ( -4.383 -5.549 -4.719) 8.501 10.601 ( -3.818 4.748 1.087) 6.189 10.843 ( 2.409 -0.030 -1.728) 2.965 10.950 ( 0.598 0.539 2.507) 2.633 11.139 ( 5.660 -5.223 -3.680) 8.536 11.769 ( 7.662 3.748 1.880) 8.735 12.029 ( 5.481 2.626 -1.772) 6.331 12.042 ( 3.360 -0.829 -0.489) 3.495 12.283 ( 4.764 -1.788 -3.305) 6.068 12.634 ( -0.286 2.501 6.748) 7.202 12.779 ( 5.850 -2.908 5.665) 8.647 12.867 ( -3.019 6.258 -0.189) 6.951 12.999 ( -1.177 0.587 -3.864) 4.082 14.206 ( -2.209 5.544 -7.277) 9.411 14.275 ( 3.942 4.155 8.405) 10.171 14.447 ( -3.654 -5.263 1.655) 6.618 14.620 ( 0.855 -10.505 -1.551) 10.653 15.963 ( -2.345 1.646 -0.687) 2.946 15.994 ( -1.899 -0.034 -1.589) 2.477 17.013 ( -12.811 -8.169 3.970) 15.704 17.051 ( -13.164 -10.151 -3.036) 16.898 18.399 ( 2.757 3.552 3.341) 5.602 18.489 ( 2.853 0.958 -5.248) 6.050 19.018 ( -3.435 3.890 3.809) 6.437 19.110 ( -3.189 -0.777 3.940) 5.128 19.381 ( -4.286 4.543 -3.383) 7.102 19.475 ( 0.679 1.632 0.609) 1.870 19.720 ( -0.058 5.921 -1.700) 6.161 19.904 ( -0.324 -0.663 -5.170) 5.222 20.108 ( 7.734 7.508 2.751) 11.124 20.393 ( 10.491 -3.628 -5.973) 12.605 20.767 ( -6.537 2.014 -1.202) 6.945 20.944 ( -1.401 -6.167 7.935) 10.147 ======================= Grid point 153 (83/90) ======================= q-point: (-0.14 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 2.407 16.396 0.646) 16.585 2.553 ( -1.048 4.538 -4.324) 6.355 3.030 ( -19.966 15.939 18.512) 31.550 3.152 ( -10.901 8.224 -14.504) 19.920 3.352 ( 3.659 0.724 1.521) 4.028 3.358 ( -0.072 5.764 2.562) 6.308 3.623 ( -10.296 1.378 1.713) 10.528 3.864 ( -12.274 4.683 7.743) 15.249 4.062 ( -0.912 10.712 -5.921) 12.273 4.107 ( 2.741 3.129 3.597) 5.499 4.384 ( -6.795 4.840 -5.848) 10.188 4.539 ( 1.406 -4.752 -7.406) 8.911 4.661 ( -1.999 18.663 9.078) 20.850 4.853 ( 0.238 13.197 -3.497) 13.655 5.090 ( 13.192 5.556 -11.408) 18.304 5.152 ( -7.521 6.303 4.013) 10.602 5.420 ( -4.193 4.114 -4.820) 7.598 5.588 ( -5.490 1.045 0.260) 5.594 5.662 ( 0.586 -6.545 -3.378) 7.388 5.725 ( 9.782 8.139 -1.857) 12.860 5.829 ( 3.727 -8.228 2.382) 9.342 6.005 ( 6.601 -2.997 14.985) 16.646 6.196 ( -8.893 1.929 -5.443) 10.603 6.303 ( 1.084 -5.837 1.897) 6.233 6.336 ( 10.557 1.580 11.108) 15.406 6.489 ( 0.235 0.318 1.432) 1.485 6.566 ( 6.644 -5.071 0.923) 8.409 6.635 ( -2.063 -11.551 -4.818) 12.684 6.732 ( -2.486 -3.681 1.079) 4.571 6.963 ( 3.706 -11.836 -0.616) 12.418 7.058 ( -7.627 -4.117 2.006) 8.896 7.145 ( -6.845 3.637 -2.686) 8.203 7.239 ( -9.012 1.131 -2.851) 9.520 7.302 ( -4.509 -4.051 1.234) 6.186 7.537 ( -4.285 -2.289 0.810) 4.925 7.625 ( -0.201 -8.206 -1.461) 8.338 7.959 ( 0.564 6.251 -5.863) 8.589 8.042 ( 5.144 6.469 -3.452) 8.957 8.291 ( 1.396 -1.048 -6.135) 6.379 8.401 ( 8.061 -8.615 -3.174) 12.218 8.458 ( 5.381 -9.116 5.089) 11.745 8.661 ( -0.446 -5.216 9.710) 11.031 8.755 ( 6.871 -0.575 2.204) 7.239 8.821 ( 6.997 -1.808 2.390) 7.612 8.999 ( 4.791 3.840 2.198) 6.521 9.285 ( 1.790 -6.213 5.335) 8.383 9.441 ( -1.171 -3.909 2.325) 4.696 9.572 ( 6.175 8.644 -6.259) 12.330 9.733 ( 4.746 -9.514 8.326) 13.504 10.126 ( -3.263 -5.282 -3.158) 6.965 10.161 ( -0.535 -1.865 -5.308) 5.651 10.409 ( -9.678 -0.316 0.679) 9.707 10.568 ( 2.001 -2.807 -8.742) 9.397 10.743 ( -10.464 -2.259 -3.128) 11.153 11.071 ( 9.984 2.592 4.257) 11.159 11.337 ( 10.598 -6.799 -2.911) 12.923 11.887 ( 2.245 6.290 0.798) 6.727 12.114 ( 4.999 -3.242 -1.480) 6.140 12.127 ( 2.370 5.561 -1.076) 6.140 12.292 ( -4.000 2.915 -3.388) 5.998 12.663 ( 3.041 0.322 3.528) 4.669 12.772 ( -5.043 4.221 8.961) 11.116 12.946 ( 5.873 -1.256 -4.218) 7.339 12.982 ( 1.083 0.324 -1.765) 2.096 14.182 ( 0.672 2.644 -4.390) 5.169 14.285 ( -5.504 -1.721 4.599) 7.377 14.444 ( 5.193 0.863 3.354) 6.242 14.646 ( 1.443 -7.205 -0.134) 7.349 15.933 ( -0.098 0.458 -0.237) 0.525 15.969 ( -0.018 -1.282 -1.459) 1.942 16.721 ( -13.538 -5.408 2.299) 14.758 16.753 ( -13.300 -6.263 -1.422) 14.770 18.455 ( 1.385 3.420 4.790) 6.046 18.546 ( 2.912 0.739 -5.575) 6.333 18.986 ( 0.280 3.249 2.565) 4.149 19.075 ( -0.296 -1.085 2.474) 2.717 19.275 ( -4.433 3.547 -2.993) 6.418 19.420 ( -5.272 -2.130 -1.766) 5.954 19.720 ( 0.116 4.920 -0.453) 4.942 19.848 ( -3.306 -1.178 -4.610) 5.794 20.327 ( 10.926 9.603 0.724) 14.564 20.583 ( 0.647 1.833 1.469) 2.436 20.696 ( 6.451 -0.939 -6.451) 9.171 20.885 ( -5.097 -6.474 8.426) 11.785 ======================= Grid point 154 (84/90) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 0.935 -3.249 -3.248) 4.688 2.516 ( 0.935 3.249 -3.248) 4.688 3.033 ( -4.354 -13.189 10.994) 17.714 3.033 ( -4.354 13.189 10.994) 17.714 3.496 ( -1.328 -1.138 6.083) 6.329 3.496 ( -1.328 1.138 6.083) 6.329 3.628 ( 7.375 -8.481 -12.372) 16.715 3.628 ( 7.375 8.481 -12.372) 16.715 4.177 ( -3.665 -2.402 1.525) 4.640 4.177 ( -3.665 2.402 1.525) 4.640 4.262 ( -0.631 -6.305 -2.227) 6.717 4.262 ( -0.631 6.305 -2.227) 6.717 4.939 ( -5.511 -16.076 12.886) 21.327 4.939 ( -5.511 16.076 12.886) 21.327 5.186 ( -1.961 -16.864 -6.805) 18.291 5.186 ( -1.961 16.864 -6.805) 18.291 5.523 ( -0.352 -12.704 -2.307) 12.917 5.523 ( -0.352 12.704 -2.307) 12.917 5.722 ( 4.508 -12.400 -4.158) 13.833 5.722 ( 4.508 12.400 -4.158) 13.833 5.988 ( 1.074 -7.182 4.240) 8.409 5.988 ( 1.074 7.182 4.240) 8.409 6.225 ( 6.189 -8.515 -7.793) 13.097 6.225 ( 6.189 8.515 -7.793) 13.097 6.500 ( -5.436 -3.651 1.879) 6.813 6.500 ( -5.436 3.651 1.879) 6.813 6.670 ( 7.007 -6.743 9.446) 13.557 6.670 ( 7.007 6.743 9.446) 13.557 6.858 ( 6.328 -8.948 -6.141) 12.563 6.858 ( 6.328 8.948 -6.141) 12.563 6.908 ( -4.701 -10.971 5.608) 13.188 6.908 ( -4.701 10.971 5.608) 13.188 7.080 ( -4.940 -6.834 -8.428) 11.922 7.080 ( -4.940 6.834 -8.428) 11.922 7.502 ( 1.492 -4.621 3.397) 5.926 7.502 ( 1.492 4.621 3.397) 5.926 8.081 ( -5.770 -5.989 -2.302) 8.629 8.081 ( -5.770 5.989 -2.302) 8.629 8.224 ( -2.097 -3.637 -1.318) 4.400 8.224 ( -2.097 3.637 -1.318) 4.400 8.563 ( 4.258 -2.122 5.276) 7.104 8.563 ( 4.258 2.122 5.276) 7.104 8.895 ( 1.331 -0.180 -1.181) 1.788 8.895 ( 1.331 0.180 -1.181) 1.788 9.196 ( 3.095 -1.312 1.090) 3.534 9.196 ( 3.095 1.312 1.090) 3.534 9.515 ( -1.183 -3.236 1.926) 3.947 9.515 ( -1.183 3.236 1.926) 3.947 9.964 ( 8.050 -7.703 3.829) 11.781 9.964 ( 8.050 7.703 3.829) 11.781 10.119 ( -12.169 -4.893 -7.737) 15.228 10.119 ( -12.169 4.893 -7.737) 15.228 10.556 ( 0.936 -1.678 0.727) 2.055 10.556 ( 0.936 1.678 0.727) 2.055 11.337 ( 2.088 -4.251 -2.408) 5.314 11.337 ( 2.088 4.251 -2.408) 5.314 12.056 ( -1.197 -3.212 -2.130) 4.036 12.056 ( -1.197 3.212 -2.130) 4.036 12.244 ( -1.405 -0.837 1.168) 2.010 12.244 ( -1.405 0.837 1.168) 2.010 12.710 ( -0.168 -2.810 6.385) 6.978 12.710 ( -0.168 2.810 6.385) 6.978 12.998 ( 0.350 -1.469 -4.376) 4.629 12.998 ( 0.350 1.469 -4.376) 4.629 14.188 ( -1.107 -1.694 1.850) 2.742 14.188 ( -1.107 1.694 1.850) 2.742 14.596 ( 2.222 -3.216 0.471) 3.937 14.596 ( 2.222 3.216 0.471) 3.937 15.944 ( 0.014 -0.471 -0.506) 0.692 15.944 ( 0.014 0.471 -0.506) 0.692 16.534 ( 0.008 -0.930 0.268) 0.967 16.534 ( 0.008 0.930 0.268) 0.967 18.536 ( -0.708 -3.057 0.720) 3.219 18.536 ( -0.708 3.057 0.720) 3.219 19.084 ( 3.353 -1.756 -0.895) 3.890 19.084 ( 3.353 1.756 -0.895) 3.890 19.251 ( -2.534 -1.696 -1.551) 3.421 19.251 ( -2.534 1.696 -1.551) 3.421 19.770 ( -1.466 -1.181 0.075) 1.883 19.770 ( -1.466 1.181 0.075) 1.883 20.608 ( -5.480 -5.431 6.226) 9.914 20.608 ( -5.480 5.431 6.226) 9.914 20.750 ( 6.619 -8.638 -5.696) 12.283 20.750 ( 6.619 8.638 -5.696) 12.283 ======================= Grid point 156 (85/90) ======================= q-point: ( 0.14 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( 1.032 -1.837 -3.161) 3.799 2.518 ( 1.032 1.837 -3.161) 3.799 3.072 ( 3.331 -13.558 10.803) 17.652 3.072 ( 3.331 13.558 10.803) 17.652 3.532 ( 8.049 -5.496 -0.792) 9.778 3.532 ( 8.049 5.496 -0.792) 9.778 3.844 ( 10.660 -13.623 -7.804) 18.977 3.844 ( 10.660 13.623 -7.804) 18.977 4.105 ( -1.974 -8.987 2.587) 9.558 4.105 ( -1.974 8.987 2.587) 9.558 4.340 ( 6.080 -2.646 2.976) 7.268 4.340 ( 6.080 2.646 2.976) 7.268 4.801 ( -6.368 -11.458 12.940) 18.420 4.801 ( -6.368 11.458 12.940) 18.420 5.194 ( 2.419 -4.638 -1.018) 5.329 5.194 ( 2.419 4.638 -1.018) 5.329 5.462 ( -2.847 -17.536 -6.583) 18.946 5.462 ( -2.847 17.536 -6.583) 18.946 5.754 ( -1.965 -11.955 -3.658) 12.655 5.754 ( -1.965 11.955 -3.658) 12.655 6.065 ( 2.358 -7.928 3.732) 9.074 6.065 ( 2.358 7.928 3.732) 9.074 6.208 ( -6.909 -9.738 -7.226) 13.956 6.208 ( -6.909 9.738 -7.226) 13.956 6.464 ( 0.258 -10.913 -2.672) 11.239 6.464 ( 0.258 10.913 -2.672) 11.239 6.627 ( -5.273 -11.036 1.866) 12.373 6.627 ( -5.273 11.036 1.866) 12.373 6.711 ( -2.601 -3.230 -4.419) 6.060 6.711 ( -2.601 3.230 -4.419) 6.060 7.107 ( 7.289 -9.520 -1.524) 12.086 7.107 ( 7.289 9.520 -1.524) 12.086 7.225 ( 13.852 -3.178 3.556) 14.651 7.225 ( 13.852 3.178 3.556) 14.651 7.587 ( 5.705 -3.438 -0.441) 6.675 7.587 ( 5.705 3.438 -0.441) 6.675 7.928 ( -6.185 -5.963 4.985) 9.933 7.928 ( -6.185 5.963 4.985) 9.933 8.134 ( -8.031 -6.378 6.025) 11.895 8.134 ( -8.031 6.378 6.025) 11.895 8.639 ( 2.459 -8.228 -3.941) 9.449 8.639 ( 2.459 8.228 -3.941) 9.449 8.824 ( -5.855 -4.383 -3.624) 8.162 8.824 ( -5.855 4.383 -3.624) 8.162 9.195 ( -1.107 -8.496 -2.896) 9.044 9.195 ( -1.107 8.496 -2.896) 9.044 9.586 ( 3.843 -10.115 1.914) 10.988 9.586 ( 3.843 10.115 1.914) 10.988 9.793 ( -16.176 -7.909 -4.430) 18.543 9.793 ( -16.176 7.909 -4.430) 18.543 10.115 ( 6.210 -5.819 6.236) 10.550 10.115 ( 6.210 5.819 6.236) 10.550 10.660 ( 7.259 -5.344 1.220) 9.096 10.660 ( 7.259 5.344 1.220) 9.096 11.239 ( -9.239 -3.032 -5.319) 11.084 11.239 ( -9.239 3.032 -5.319) 11.084 11.999 ( -4.227 -3.846 0.575) 5.744 11.999 ( -4.227 3.846 0.575) 5.744 12.208 ( -1.845 -4.778 2.651) 5.768 12.208 ( -1.845 4.778 2.651) 5.768 12.717 ( -1.983 -7.662 6.295) 10.113 12.717 ( -1.983 7.662 6.295) 10.113 12.999 ( 1.691 -2.841 -4.670) 5.722 12.999 ( 1.691 2.841 -4.670) 5.722 14.183 ( -0.190 -5.191 3.791) 6.431 14.183 ( -0.190 5.191 3.791) 6.431 14.599 ( -1.100 -4.064 -3.767) 5.649 14.599 ( -1.100 4.064 -3.767) 5.649 15.947 ( 0.940 -0.269 -0.615) 1.155 15.947 ( 0.940 0.269 -0.615) 1.155 16.676 ( 11.708 -2.115 0.141) 11.898 16.676 ( 11.708 2.115 0.141) 11.898 18.501 ( -2.398 -2.704 1.004) 3.751 18.501 ( -2.398 2.704 1.004) 3.751 19.132 ( 1.745 -1.981 -4.852) 5.524 19.132 ( 1.745 1.981 -4.852) 5.524 19.285 ( 4.734 -3.672 2.909) 6.660 19.285 ( 4.734 3.672 2.909) 6.660 19.747 ( -0.716 -1.066 2.778) 3.061 19.747 ( -0.716 1.066 2.778) 3.061 20.450 ( -9.058 -4.695 2.787) 10.576 20.450 ( -9.058 4.695 2.787) 10.576 20.864 ( 4.205 -9.671 -4.964) 11.655 20.864 ( 4.205 9.671 -4.964) 11.655 ======================= Grid point 158 (86/90) ======================= q-point: ( 0.29 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( 5.788 -4.698 -1.308) 7.569 2.588 ( 5.788 4.698 -1.308) 7.569 3.155 ( 4.760 -6.399 0.461) 7.988 3.155 ( 4.760 6.399 0.461) 7.988 3.681 ( -2.729 -9.318 -1.604) 9.841 3.681 ( -2.729 9.318 -1.604) 9.841 3.963 ( 3.548 -4.529 13.912) 15.055 3.963 ( 3.548 4.529 13.912) 15.055 4.179 ( 9.975 -3.140 -3.207) 10.938 4.179 ( 9.975 3.140 -3.207) 10.938 4.496 ( 10.131 -7.565 -1.515) 12.734 4.496 ( 10.131 7.565 -1.515) 12.734 4.841 ( 7.909 -9.363 8.410) 14.865 4.841 ( 7.909 9.363 8.410) 14.865 5.245 ( 1.385 -2.832 -2.023) 3.746 5.245 ( 1.385 2.832 -2.023) 3.746 5.383 ( -4.116 -24.803 -6.344) 25.930 5.383 ( -4.116 24.803 -6.344) 25.930 5.648 ( -7.209 -4.367 -7.757) 11.455 5.648 ( -7.209 4.367 -7.757) 11.455 5.956 ( -6.695 -6.925 7.756) 12.366 5.956 ( -6.695 6.925 7.756) 12.366 6.148 ( -0.976 -11.112 0.249) 11.158 6.148 ( -0.976 11.112 0.249) 11.158 6.362 ( -5.689 -5.219 -0.071) 7.721 6.362 ( -5.689 5.219 -0.071) 7.721 6.637 ( 2.577 -2.697 1.910) 4.191 6.637 ( 2.577 2.697 1.910) 4.191 6.766 ( 5.165 -16.958 -6.931) 19.034 6.766 ( 5.165 16.958 -6.931) 19.034 7.197 ( 0.165 -6.789 -4.547) 8.173 7.197 ( 0.165 6.789 -4.547) 8.173 7.324 ( -5.497 -2.534 3.351) 6.919 7.324 ( -5.497 2.534 3.351) 6.919 7.704 ( 2.143 -3.588 -2.709) 4.980 7.704 ( 2.143 3.588 -2.709) 4.980 7.911 ( 1.898 -4.672 4.386) 6.684 7.911 ( 1.898 4.672 4.386) 6.684 8.037 ( 6.023 -8.924 10.185) 14.820 8.037 ( 6.023 8.924 10.185) 14.820 8.626 ( -3.266 -6.957 -5.252) 9.308 8.626 ( -3.266 6.957 -5.252) 9.308 8.717 ( -3.452 -2.440 -6.362) 7.638 8.717 ( -3.452 2.440 -6.362) 7.638 9.173 ( -2.050 -11.141 -2.807) 11.670 9.173 ( -2.050 11.141 -2.807) 11.670 9.408 ( -13.787 -7.894 -3.672) 16.306 9.408 ( -13.787 7.894 -3.672) 16.306 9.667 ( 0.072 -16.403 2.702) 16.624 9.667 ( 0.072 16.403 2.702) 16.624 10.280 ( 8.321 -7.682 5.538) 12.606 10.280 ( 8.321 7.682 5.538) 12.606 10.773 ( 0.889 -5.626 0.704) 5.739 10.773 ( 0.889 5.626 0.704) 5.739 11.063 ( -3.907 -0.520 -4.435) 5.934 11.063 ( -3.907 0.520 -4.435) 5.934 11.890 ( -4.984 -5.291 0.471) 7.284 11.890 ( -4.984 5.291 0.471) 7.284 12.149 ( -5.319 -5.816 2.461) 8.257 12.149 ( -5.319 5.816 2.461) 8.257 12.662 ( -2.176 -4.339 7.153) 8.644 12.662 ( -2.176 4.339 7.153) 8.644 13.037 ( 1.101 -2.882 -5.646) 6.433 13.037 ( 1.101 2.882 -5.646) 6.433 14.189 ( 0.395 -6.689 6.874) 9.599 14.189 ( 0.395 6.689 6.874) 9.599 14.568 ( -0.979 -4.347 -6.834) 8.158 14.568 ( -0.979 4.347 -6.834) 8.158 15.988 ( 2.717 -0.423 -0.743) 2.849 15.988 ( 2.717 0.423 -0.743) 2.849 16.938 ( 11.634 -2.700 -0.328) 11.948 16.938 ( 11.634 2.700 -0.328) 11.948 18.452 ( -2.015 -1.815 0.318) 2.730 18.452 ( -2.015 1.815 0.318) 2.730 19.173 ( 2.655 -1.656 -3.599) 4.769 19.173 ( 2.655 1.656 -3.599) 4.769 19.379 ( 2.610 -3.804 4.518) 6.457 19.379 ( 2.610 3.804 4.518) 6.457 19.761 ( 1.835 -3.576 4.304) 5.890 19.761 ( 1.835 3.576 4.304) 5.890 20.262 ( -8.289 -3.317 -1.404) 9.038 20.262 ( -8.289 3.317 -1.404) 9.038 20.916 ( 1.429 -8.190 -3.667) 9.087 20.916 ( 1.429 8.190 -3.667) 9.087 ======================= Grid point 160 (87/90) ======================= q-point: ( 0.43 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( 6.344 -5.973 1.104) 8.783 2.728 ( 6.344 5.973 1.104) 8.783 3.222 ( -2.949 -5.731 -7.890) 10.188 3.222 ( -2.949 5.731 -7.890) 10.188 3.528 ( -2.348 -3.227 10.635) 11.359 3.528 ( -2.348 3.227 10.635) 11.359 4.004 ( 0.560 -1.796 -8.201) 8.414 4.004 ( 0.560 1.796 -8.201) 8.414 4.492 ( 15.208 -3.843 11.993) 19.745 4.492 ( 15.208 3.843 11.993) 19.745 4.715 ( 7.022 -16.000 -1.588) 17.545 4.715 ( 7.022 16.000 -1.588) 17.545 4.945 ( -2.489 -5.448 7.042) 9.244 4.945 ( -2.489 5.448 7.042) 9.244 5.229 ( -7.407 -5.172 -7.517) 11.753 5.229 ( -7.407 5.172 -7.517) 11.753 5.286 ( 2.852 -10.437 -3.542) 11.385 5.286 ( 2.852 10.437 -3.542) 11.385 5.540 ( -0.848 -1.708 -6.309) 6.591 5.540 ( -0.848 1.708 -6.309) 6.591 5.846 ( -4.118 -2.483 0.344) 4.821 5.846 ( -4.118 2.483 0.344) 4.821 6.222 ( 3.796 -9.739 7.325) 12.764 6.222 ( 3.796 9.739 7.325) 12.764 6.303 ( 3.580 -5.505 7.141) 9.701 6.303 ( 3.580 5.505 7.141) 9.701 6.620 ( -5.612 -7.955 -0.252) 9.738 6.620 ( -5.612 7.955 -0.252) 9.738 6.809 ( -1.073 -2.821 0.623) 3.081 6.809 ( -1.073 2.821 0.623) 3.081 7.081 ( -3.228 -5.904 -7.339) 9.957 7.081 ( -3.228 5.904 -7.339) 9.957 7.238 ( -5.020 -4.591 -0.539) 6.824 7.238 ( -5.020 4.591 -0.539) 6.824 7.685 ( -0.125 -2.428 3.857) 4.560 7.685 ( -0.125 2.428 3.857) 4.560 7.935 ( -0.400 -2.512 -3.211) 4.097 7.935 ( -0.400 2.512 -3.211) 4.097 8.329 ( 12.212 -5.063 6.843) 14.886 8.329 ( 12.212 5.063 6.843) 14.886 8.496 ( -5.995 -3.763 -0.108) 7.079 8.496 ( -5.995 3.763 -0.108) 7.079 8.726 ( 6.562 -9.283 -9.997) 15.139 8.726 ( 6.562 9.283 -9.997) 15.139 8.974 ( -14.365 -7.053 0.679) 16.017 8.974 ( -14.365 7.053 0.679) 16.017 9.289 ( 0.679 -6.994 -4.590) 8.393 9.289 ( 0.679 6.994 -4.590) 8.393 9.679 ( 0.656 -9.709 1.168) 9.801 9.679 ( 0.656 9.709 1.168) 9.801 10.436 ( 5.289 -7.783 5.591) 10.946 10.436 ( 5.289 7.783 5.591) 10.946 10.717 ( -3.482 -4.999 -3.281) 6.919 10.717 ( -3.482 4.999 -3.281) 6.919 11.048 ( 0.309 -1.791 -2.234) 2.880 11.048 ( 0.309 1.791 -2.234) 2.880 11.854 ( 2.337 -8.194 0.896) 8.568 11.854 ( 2.337 8.195 0.896) 8.568 12.000 ( -7.544 -7.597 1.189) 10.772 12.000 ( -7.544 7.597 1.189) 10.772 12.667 ( 0.865 -2.641 8.493) 8.937 12.667 ( 0.865 2.641 8.493) 8.937 13.017 ( -1.590 -2.064 -6.760) 7.245 13.017 ( -1.590 2.064 -6.760) 7.245 14.226 ( 2.125 -6.815 8.439) 11.054 14.226 ( 2.125 6.815 8.439) 11.054 14.534 ( -1.715 -5.029 -7.621) 9.291 14.534 ( -1.715 5.029 -7.621) 9.291 16.037 ( 1.539 -0.324 -0.690) 1.718 16.037 ( 1.539 0.324 -0.690) 1.718 17.112 ( 4.363 -2.639 -0.714) 5.149 17.112 ( 4.363 2.639 -0.714) 5.149 18.427 ( -0.421 -1.826 -0.172) 1.882 18.427 ( -0.421 1.826 -0.172) 1.882 19.208 ( -0.104 -0.563 0.241) 0.621 19.208 ( -0.104 0.563 0.241) 0.621 19.410 ( 1.154 -2.614 2.775) 3.983 19.410 ( 1.154 2.614 2.775) 3.983 19.823 ( 2.757 -4.263 4.077) 6.512 19.823 ( 2.757 4.263 4.077) 6.512 20.130 ( -3.390 -3.286 -4.229) 6.338 20.130 ( -3.390 3.286 -4.229) 6.338 20.919 ( -0.652 -4.731 -1.869) 5.128 20.919 ( -0.652 4.731 -1.869) 5.128 ======================= Grid point 162 (88/90) ======================= q-point: (-0.43 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( -5.751 -6.457 -0.607) 8.668 2.758 ( -5.751 6.457 -0.607) 8.668 3.102 ( -0.776 -7.419 1.962) 7.713 3.102 ( -0.776 7.419 1.962) 7.713 3.599 ( 1.460 -2.036 3.858) 4.601 3.599 ( 1.460 2.036 3.858) 4.601 4.075 ( 9.186 -1.799 -15.895) 18.447 4.075 ( 9.186 1.799 -15.895) 18.447 4.570 ( -15.353 -20.544 11.196) 27.985 4.570 ( -15.353 20.544 11.196) 27.985 4.663 ( -7.258 -8.814 3.441) 11.924 4.663 ( -7.258 8.814 3.441) 11.924 4.933 ( 1.578 -10.986 4.444) 11.955 4.933 ( 1.578 10.986 4.444) 11.955 5.149 ( 4.877 -23.537 -4.291) 24.417 5.149 ( 4.877 23.537 -4.291) 24.417 5.309 ( -2.608 -3.494 -5.430) 6.964 5.309 ( -2.608 3.494 -5.430) 6.964 5.561 ( 2.640 -1.316 -5.185) 5.965 5.561 ( 2.640 1.316 -5.185) 5.965 5.827 ( 2.524 -0.698 1.824) 3.192 5.827 ( 2.524 0.698 1.824) 3.192 6.238 ( -0.174 -7.230 4.196) 8.361 6.238 ( -0.174 7.230 4.196) 8.361 6.455 ( -3.088 -8.666 0.885) 9.242 6.455 ( -3.088 8.666 0.885) 9.242 6.524 ( 6.526 -7.934 2.741) 10.633 6.524 ( 6.526 7.934 2.741) 10.633 6.764 ( -9.694 -9.944 3.350) 14.286 6.764 ( -9.694 9.944 3.350) 14.286 7.047 ( 7.699 -4.184 -1.614) 8.910 7.047 ( 7.699 4.184 -1.614) 8.910 7.205 ( 1.351 -9.657 0.190) 9.753 7.205 ( 1.351 9.657 0.190) 9.753 7.700 ( -0.930 -5.683 4.107) 7.073 7.700 ( -0.930 5.683 4.107) 7.073 7.900 ( -0.470 -4.428 -2.207) 4.969 7.900 ( -0.470 4.428 -2.207) 4.969 8.374 ( -3.974 -12.289 6.935) 14.660 8.374 ( -3.974 12.290 6.935) 14.660 8.499 ( 2.048 -6.221 -2.371) 6.965 8.499 ( 2.048 6.221 -2.371) 6.965 8.659 ( -9.312 -2.417 -5.747) 11.206 8.659 ( -9.312 2.417 -5.747) 11.206 8.995 ( 12.168 -6.782 -0.601) 13.943 8.995 ( 12.168 6.782 -0.601) 13.943 9.323 ( 3.172 -5.241 -7.744) 9.874 9.323 ( 3.172 5.241 -7.744) 9.874 9.684 ( 0.181 -6.182 0.700) 6.224 9.684 ( 0.181 6.182 0.700) 6.224 10.498 ( -1.863 -5.352 1.343) 5.824 10.498 ( -1.863 5.352 1.343) 5.824 10.664 ( 1.193 -3.538 0.393) 3.754 10.664 ( 1.193 3.538 0.393) 3.754 11.048 ( -0.220 -3.128 -2.376) 3.935 11.048 ( -0.220 3.128 -2.376) 3.935 11.856 ( -2.577 -9.447 1.012) 9.844 11.856 ( -2.577 9.447 1.012) 9.844 12.016 ( 9.121 -7.780 -0.512) 12.000 12.016 ( 9.121 7.780 -0.512) 12.000 12.686 ( -0.317 -1.946 8.344) 8.574 12.686 ( -0.317 1.946 8.344) 8.574 12.985 ( -0.371 -2.629 -5.372) 5.992 12.985 ( -0.371 2.629 -5.372) 5.992 14.291 ( 2.960 -5.252 6.896) 9.160 14.291 ( 2.960 5.252 6.896) 9.160 14.469 ( -3.532 -5.955 -6.155) 9.264 14.469 ( -3.532 5.955 -6.155) 9.264 16.038 ( -1.421 -0.348 -0.734) 1.637 16.038 ( -1.421 0.348 -0.734) 1.637 17.108 ( -4.589 -1.708 -0.397) 4.913 17.108 ( -4.589 1.708 -0.397) 4.913 18.432 ( 0.963 -2.474 -0.591) 2.720 18.432 ( 0.963 2.474 -0.591) 2.720 19.159 ( -4.082 -1.737 3.731) 5.797 19.159 ( -4.082 1.737 3.731) 5.797 19.460 ( 2.511 -0.837 -0.530) 2.700 19.460 ( 2.511 0.837 -0.530) 2.700 19.856 ( -0.137 -5.058 1.509) 5.280 19.856 ( -0.137 5.058 1.509) 5.280 20.127 ( 3.879 -6.315 -4.442) 8.641 20.127 ( 3.879 6.315 -4.442) 8.641 20.888 ( -2.176 -0.583 0.784) 2.385 20.888 ( -2.176 0.583 0.784) 2.385 ======================= Grid point 164 (89/90) ======================= q-point: (-0.29 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( -7.036 -12.495 -1.610) 14.430 2.591 ( -7.036 12.495 -1.610) 14.430 3.179 ( 5.852 -10.588 -1.056) 12.143 3.179 ( 5.852 10.588 -1.056) 12.143 3.528 ( -8.726 -2.204 8.143) 12.137 3.528 ( -8.726 2.204 8.143) 12.137 4.117 ( -16.427 -12.709 6.237) 21.685 4.117 ( -16.427 12.709 6.237) 21.685 4.293 ( -2.743 -4.609 -11.962) 13.110 4.293 ( -2.743 4.609 -11.962) 13.110 4.463 ( -4.503 -9.842 -1.585) 10.939 4.463 ( -4.503 9.842 -1.585) 10.939 5.049 ( 6.470 -4.758 3.669) 8.830 5.049 ( 6.470 4.758 3.669) 8.830 5.106 ( -3.681 -6.386 -9.935) 12.370 5.106 ( -3.681 6.386 -9.935) 12.370 5.371 ( 3.968 -18.333 -0.106) 18.758 5.371 ( 3.968 18.333 -0.106) 18.758 5.589 ( 2.111 -3.547 -1.634) 4.439 5.589 ( 2.111 3.547 -1.634) 4.439 5.933 ( 6.371 -6.881 6.946) 11.669 5.933 ( 6.371 6.881 6.946) 11.669 6.247 ( -7.057 -13.389 -4.125) 15.687 6.247 ( -7.057 13.389 -4.125) 15.687 6.329 ( -0.431 -6.420 4.567) 7.891 6.329 ( -0.431 6.420 4.567) 7.891 6.545 ( -0.663 -6.107 3.341) 6.993 6.545 ( -0.663 6.107 3.341) 6.993 6.691 ( 0.612 -12.332 2.628) 12.623 6.691 ( 0.612 12.332 2.628) 12.623 7.158 ( -2.253 -4.075 0.015) 4.656 7.158 ( -2.253 4.075 0.015) 4.656 7.313 ( 6.878 -0.992 2.495) 7.384 7.313 ( 6.878 0.992 2.495) 7.384 7.632 ( -5.290 -4.630 2.791) 7.564 7.632 ( -5.290 4.630 2.791) 7.564 7.987 ( 9.303 -3.492 -1.248) 10.015 7.987 ( 9.303 3.492 -1.248) 10.015 8.237 ( -6.321 -8.553 -4.759) 11.652 8.237 ( -6.321 8.553 -4.759) 11.652 8.498 ( -1.697 -3.029 3.525) 4.948 8.498 ( -1.697 3.029 3.525) 4.948 8.643 ( 5.579 -3.990 -0.050) 6.859 8.643 ( 5.579 3.990 -0.050) 6.859 9.126 ( 0.645 -6.909 1.036) 7.016 9.126 ( 0.645 6.909 1.036) 7.016 9.405 ( 5.078 -2.895 -2.059) 6.197 9.405 ( 5.078 2.895 -2.059) 6.197 9.742 ( 5.472 -17.910 -4.809) 19.335 9.742 ( 5.472 17.910 -4.809) 19.335 10.380 ( -6.217 -8.361 -2.841) 10.800 10.380 ( -6.217 8.361 -2.841) 10.800 10.757 ( 2.164 -6.851 2.235) 7.524 10.757 ( 2.164 6.851 2.235) 7.524 11.029 ( 1.345 -5.250 -1.964) 5.764 11.029 ( 1.345 5.250 -1.964) 5.764 11.884 ( 4.860 -6.848 1.303) 8.498 11.884 ( 4.860 6.848 1.303) 8.498 12.199 ( 6.664 -6.275 -2.371) 9.455 12.199 ( 6.664 6.275 -2.371) 9.455 12.703 ( 1.706 -3.852 6.150) 7.455 12.703 ( 1.706 3.852 6.150) 7.455 12.973 ( -0.673 -3.334 -2.387) 4.155 12.973 ( -0.673 3.334 -2.387) 4.155 14.328 ( -2.536 -6.021 -2.146) 6.877 14.328 ( -2.536 6.021 -2.146) 6.877 14.416 ( 1.822 -8.818 3.230) 9.566 14.416 ( 1.822 8.818 3.230) 9.566 15.988 ( -2.702 -0.682 -0.696) 2.872 15.988 ( -2.702 0.682 -0.696) 2.872 16.933 ( -11.520 -1.036 0.161) 11.568 16.933 ( -11.520 1.036 0.161) 11.568 18.468 ( 2.544 -2.617 -0.990) 3.782 18.468 ( 2.544 2.617 -0.990) 3.782 19.079 ( -3.513 -2.173 4.075) 5.802 19.079 ( -3.513 2.173 4.075) 5.802 19.461 ( -2.830 -2.662 -1.807) 4.285 19.461 ( -2.830 2.662 -1.807) 4.285 19.836 ( -1.326 -4.928 -2.017) 5.488 19.836 ( -1.326 4.928 -2.017) 5.488 20.277 ( 10.408 -7.445 -3.107) 13.168 20.277 ( 10.408 7.445 -3.107) 13.168 20.833 ( -3.344 -4.376 3.432) 6.489 20.833 ( -3.344 4.376 3.432) 6.489 ======================= Grid point 166 (90/90) ======================= q-point: (-0.14 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( -0.956 -9.487 -2.108) 9.765 2.504 ( -0.956 9.487 -2.108) 9.765 3.229 ( -10.188 -0.496 3.988) 10.951 3.229 ( -10.188 0.496 3.988) 10.951 3.377 ( 4.505 -4.900 1.913) 6.925 3.377 ( 4.505 4.900 1.913) 6.925 3.758 ( -14.332 -11.782 4.569) 19.108 3.758 ( -14.332 11.782 4.569) 19.108 4.217 ( -1.955 -1.407 -5.645) 6.138 4.217 ( -1.955 1.407 -5.645) 6.138 4.383 ( -6.674 -2.067 -2.600) 7.455 4.383 ( -6.674 2.067 -2.600) 7.455 4.997 ( -2.533 -12.376 -0.059) 12.632 4.997 ( -2.533 12.376 -0.059) 12.632 5.248 ( 2.365 -18.764 -8.891) 20.898 5.248 ( 2.365 18.764 -8.891) 20.898 5.396 ( 6.110 -11.245 -2.950) 13.134 5.396 ( 6.110 11.245 -2.950) 13.134 5.675 ( 3.228 -4.595 3.692) 6.720 5.675 ( 3.228 4.595 3.692) 6.720 5.993 ( -3.290 -5.661 6.783) 9.428 5.993 ( -3.290 5.661 6.783) 9.428 6.147 ( 2.785 -3.198 3.368) 5.415 6.147 ( 2.785 3.198 3.368) 5.415 6.424 ( 7.881 -6.341 1.724) 10.261 6.424 ( 7.881 6.341 1.724) 10.261 6.606 ( -1.663 -10.400 0.542) 10.546 6.606 ( -1.663 10.400 0.542) 10.546 6.676 ( 5.712 -11.272 -0.372) 12.642 6.676 ( 5.712 11.272 -0.372) 12.642 7.072 ( -6.389 -7.490 0.781) 9.875 7.072 ( -6.389 7.490 0.781) 9.875 7.282 ( -8.407 -0.937 -1.881) 8.666 7.282 ( -8.407 0.937 -1.881) 8.666 7.529 ( -4.149 -1.520 3.914) 5.903 7.529 ( -4.149 1.520 3.914) 5.903 8.109 ( 1.496 -6.414 -9.954) 11.936 8.109 ( 1.496 6.414 -9.954) 11.936 8.259 ( 4.076 -5.526 -4.414) 8.163 8.259 ( 4.076 5.526 -4.414) 8.163 8.465 ( 0.852 -8.723 9.638) 13.027 8.465 ( 0.852 8.723 9.638) 13.027 8.787 ( 7.081 -2.588 1.856) 7.764 8.787 ( 7.081 2.588 1.856) 7.764 9.128 ( 1.272 -7.441 2.175) 7.856 9.128 ( 1.272 7.441 2.175) 7.856 9.521 ( 3.837 -9.354 6.141) 11.829 9.521 ( 3.837 9.354 6.141) 11.829 9.827 ( 3.774 -15.000 -6.148) 16.644 9.827 ( 3.774 15.000 -6.148) 16.644 10.281 ( -3.368 -7.256 -7.940) 11.272 10.281 ( -3.368 7.256 -7.940) 11.272 10.651 ( -8.720 -5.976 2.293) 10.817 10.651 ( -8.720 5.976 2.293) 10.817 11.185 ( 10.427 -7.268 -0.725) 12.730 11.185 ( 10.427 7.268 -0.725) 12.730 12.011 ( 5.596 -5.503 -0.187) 7.851 12.011 ( 5.596 5.503 -0.187) 7.851 12.262 ( 0.251 -5.270 -2.632) 5.896 12.262 ( 0.251 5.270 -2.632) 5.896 12.735 ( -1.155 -5.337 6.598) 8.564 12.735 ( -1.155 5.337 6.598) 8.564 12.971 ( 1.684 -1.984 -3.599) 4.441 12.971 ( 1.684 1.984 -3.599) 4.441 14.239 ( -3.873 -2.779 -0.719) 4.821 14.239 ( -3.873 2.779 -0.719) 4.821 14.510 ( 5.024 -5.433 3.432) 8.157 14.510 ( 5.024 5.433 3.432) 8.157 15.947 ( -0.803 -0.861 -0.559) 1.303 15.947 ( -0.803 0.861 -0.559) 1.303 16.674 ( -11.568 -1.008 0.318) 11.616 16.674 ( -11.568 1.008 0.318) 11.616 18.521 ( 2.053 -2.662 -0.573) 3.410 18.521 ( 2.053 2.662 -0.573) 3.410 19.041 ( -0.076 -2.128 2.665) 3.412 19.041 ( -0.076 2.128 2.665) 3.412 19.355 ( -5.929 -3.838 -2.819) 7.605 19.355 ( -5.929 3.838 -2.819) 7.605 19.803 ( -1.490 -3.122 -2.141) 4.068 19.803 ( -1.490 3.122 -2.141) 4.068 20.512 ( 11.101 -7.590 -2.193) 13.625 20.512 ( 11.101 7.590 -2.193) 13.625 20.756 ( -4.347 -5.709 3.904) 8.169 20.756 ( -4.347 5.709 3.904) 8.169 =================== 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 3/23520 10.0 1320.732 1539.797 1191.205 0.000 289.651 0.000 3/23520 20.0 214.712 185.155 257.480 0.000 -5.833 0.000 3/23520 30.0 80.080 67.779 86.184 0.000 -5.965 0.000 3/23520 40.0 43.188 36.688 44.774 0.000 -4.477 0.000 3/23520 50.0 27.397 23.764 28.069 0.000 -3.262 0.000 3/23520 60.0 19.320 17.142 19.717 0.000 -2.459 0.000 3/23520 70.0 14.664 13.265 14.946 0.000 -1.931 0.000 3/23520 80.0 11.730 10.777 11.949 0.000 -1.571 0.000 3/23520 90.0 9.749 9.066 9.926 0.000 -1.314 0.000 3/23520 100.0 8.338 7.828 8.483 0.000 -1.123 0.000 3/23520 110.0 7.288 6.893 7.409 0.000 -0.977 0.000 3/23520 120.0 6.480 6.164 6.580 0.000 -0.862 0.000 3/23520 130.0 5.839 5.580 5.923 0.000 -0.769 0.000 3/23520 140.0 5.320 5.101 5.389 0.000 -0.693 0.000 3/23520 150.0 4.890 4.702 4.946 0.000 -0.630 0.000 3/23520 160.0 4.528 4.363 4.574 0.000 -0.577 0.000 3/23520 170.0 4.219 4.072 4.256 0.000 -0.532 0.000 3/23520 180.0 3.952 3.819 3.981 0.000 -0.493 0.000 3/23520 190.0 3.719 3.597 3.741 0.000 -0.459 0.000 3/23520 200.0 3.514 3.401 3.530 0.000 -0.430 0.000 3/23520 210.0 3.331 3.226 3.343 0.000 -0.404 0.000 3/23520 220.0 3.168 3.068 3.175 0.000 -0.381 0.000 3/23520 230.0 3.021 2.927 3.024 0.000 -0.360 0.000 3/23520 240.0 2.887 2.798 2.887 0.000 -0.341 0.000 3/23520 250.0 2.766 2.680 2.763 0.000 -0.325 0.000 3/23520 260.0 2.655 2.572 2.649 0.000 -0.310 0.000 3/23520 270.0 2.553 2.473 2.545 0.000 -0.296 0.000 3/23520 280.0 2.459 2.382 2.448 0.000 -0.283 0.000 3/23520 290.0 2.371 2.297 2.360 0.000 -0.272 0.000 3/23520 300.0 2.290 2.218 2.277 0.000 -0.261 0.000 3/23520 310.0 2.215 2.145 2.200 0.000 -0.251 0.000 3/23520 320.0 2.144 2.076 2.129 0.000 -0.242 0.000 3/23520 330.0 2.079 2.012 2.062 0.000 -0.234 0.000 3/23520 340.0 2.017 1.951 1.999 0.000 -0.226 0.000 3/23520 350.0 1.958 1.895 1.940 0.000 -0.219 0.000 3/23520 360.0 1.903 1.841 1.885 0.000 -0.212 0.000 3/23520 370.0 1.852 1.791 1.833 0.000 -0.206 0.000 3/23520 380.0 1.803 1.743 1.783 0.000 -0.199 0.000 3/23520 390.0 1.756 1.698 1.736 0.000 -0.194 0.000 3/23520 400.0 1.712 1.655 1.692 0.000 -0.188 0.000 3/23520 410.0 1.670 1.614 1.650 0.000 -0.183 0.000 3/23520 420.0 1.630 1.575 1.610 0.000 -0.179 0.000 3/23520 430.0 1.592 1.539 1.572 0.000 -0.174 0.000 3/23520 440.0 1.556 1.503 1.536 0.000 -0.170 0.000 3/23520 450.0 1.522 1.470 1.501 0.000 -0.166 0.000 3/23520 460.0 1.489 1.438 1.468 0.000 -0.162 0.000 3/23520 470.0 1.457 1.407 1.436 0.000 -0.158 0.000 3/23520 480.0 1.427 1.377 1.406 0.000 -0.155 0.000 3/23520 490.0 1.398 1.349 1.377 0.000 -0.151 0.000 3/23520 500.0 1.370 1.322 1.349 0.000 -0.148 0.000 3/23520 510.0 1.343 1.296 1.322 0.000 -0.145 0.000 3/23520 520.0 1.317 1.271 1.297 0.000 -0.142 0.000 3/23520 530.0 1.292 1.247 1.272 0.000 -0.139 0.000 3/23520 540.0 1.269 1.224 1.248 0.000 -0.136 0.000 3/23520 550.0 1.246 1.202 1.225 0.000 -0.134 0.000 3/23520 560.0 1.223 1.180 1.203 0.000 -0.131 0.000 3/23520 570.0 1.202 1.159 1.182 0.000 -0.129 0.000 3/23520 580.0 1.181 1.139 1.162 0.000 -0.126 0.000 3/23520 590.0 1.161 1.120 1.142 0.000 -0.124 0.000 3/23520 600.0 1.142 1.101 1.123 0.000 -0.122 0.000 3/23520 610.0 1.124 1.083 1.104 0.000 -0.120 0.000 3/23520 620.0 1.105 1.066 1.086 0.000 -0.118 0.000 3/23520 630.0 1.088 1.049 1.069 0.000 -0.116 0.000 3/23520 640.0 1.071 1.032 1.052 0.000 -0.114 0.000 3/23520 650.0 1.055 1.016 1.036 0.000 -0.112 0.000 3/23520 660.0 1.039 1.001 1.020 0.000 -0.110 0.000 3/23520 670.0 1.023 0.986 1.005 0.000 -0.109 0.000 3/23520 680.0 1.008 0.972 0.990 0.000 -0.107 0.000 3/23520 690.0 0.994 0.958 0.976 0.000 -0.105 0.000 3/23520 700.0 0.980 0.944 0.962 0.000 -0.104 0.000 3/23520 710.0 0.966 0.931 0.948 0.000 -0.102 0.000 3/23520 720.0 0.953 0.918 0.935 0.000 -0.101 0.000 3/23520 730.0 0.940 0.905 0.922 0.000 -0.099 0.000 3/23520 740.0 0.927 0.893 0.910 0.000 -0.098 0.000 3/23520 750.0 0.915 0.881 0.897 0.000 -0.097 0.000 3/23520 760.0 0.903 0.869 0.886 0.000 -0.095 0.000 3/23520 770.0 0.891 0.858 0.874 0.000 -0.094 0.000 3/23520 780.0 0.880 0.847 0.863 0.000 -0.093 0.000 3/23520 790.0 0.868 0.836 0.852 0.000 -0.092 0.000 3/23520 800.0 0.858 0.826 0.841 0.000 -0.090 0.000 3/23520 810.0 0.847 0.816 0.831 0.000 -0.089 0.000 3/23520 820.0 0.837 0.806 0.821 0.000 -0.088 0.000 3/23520 830.0 0.827 0.796 0.811 0.000 -0.087 0.000 3/23520 840.0 0.817 0.787 0.801 0.000 -0.086 0.000 3/23520 850.0 0.807 0.777 0.792 0.000 -0.085 0.000 3/23520 860.0 0.798 0.768 0.782 0.000 -0.084 0.000 3/23520 870.0 0.789 0.759 0.773 0.000 -0.083 0.000 3/23520 880.0 0.780 0.751 0.765 0.000 -0.082 0.000 3/23520 890.0 0.771 0.742 0.756 0.000 -0.081 0.000 3/23520 900.0 0.763 0.734 0.748 0.000 -0.080 0.000 3/23520 910.0 0.754 0.726 0.739 0.000 -0.079 0.000 3/23520 920.0 0.746 0.718 0.731 0.000 -0.078 0.000 3/23520 930.0 0.738 0.711 0.723 0.000 -0.078 0.000 3/23520 940.0 0.730 0.703 0.716 0.000 -0.077 0.000 3/23520 950.0 0.723 0.696 0.708 0.000 -0.076 0.000 3/23520 960.0 0.715 0.688 0.701 0.000 -0.075 0.000 3/23520 970.0 0.708 0.681 0.694 0.000 -0.074 0.000 3/23520 980.0 0.701 0.674 0.686 0.000 -0.074 0.000 3/23520 990.0 0.694 0.668 0.680 0.000 -0.073 0.000 3/23520 1000.0 0.687 0.661 0.673 0.000 -0.072 0.000 3/23520 Thermal conductivity related properties were written into "kappa-m785.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:24:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|