----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 19:54:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.011262610000000 -7.168476949999999 0.000000000000000 b 2.011262610000000 7.168476949999999 0.000000000000000 c 0.000000000000000 0.000000000000000 16.777165730000000 Atomic positions (fractional): *1 Cs 0.06038272225185 0.93961727774815 0.25000000000000 132.905 2 Cs 0.93961727774815 0.06038272225185 0.75000000000000 132.905 *3 Lu 0.19279036842388 0.80720963157612 0.90803240000640 174.967 4 Lu 0.19279036842388 0.80720963157612 0.59196759999360 174.967 5 Lu 0.80720963157612 0.19279036842388 0.09196759999360 174.967 6 Lu 0.80720963157612 0.19279036842388 0.40803240000640 174.967 *7 Cu 0.65452372756885 0.34547627243115 0.75000000000000 63.546 *8 Cu 0.58416520323116 0.41583479676884 0.46878755740618 63.546 9 Cu 0.41583479676884 0.58416520323116 0.53121244259382 63.546 10 Cu 0.34547627243115 0.65452372756885 0.25000000000000 63.546 11 Cu 0.41583479676884 0.58416520323116 0.96878755740618 63.546 12 Cu 0.58416520323116 0.41583479676884 0.03121244259382 63.546 *13 Se 0.24101825728543 0.75898174271457 0.75000000000000 78.960 *14 Se 0.83057144449432 0.16942855550568 0.57059904221087 78.960 15 Se 0.75898174271457 0.24101825728543 0.25000000000000 78.960 16 Se 0.16942855550567 0.83057144449433 0.07059904221087 78.960 17 Se 0.16942855550567 0.83057144449433 0.42940095778913 78.960 *18 Se 0.43823352589846 0.56176647410154 0.38590666901546 78.960 19 Se 0.56176647410154 0.43823352589846 0.61409333098454 78.960 20 Se 0.43823352589846 0.56176647410154 0.11409333098454 78.960 21 Se 0.56176647410154 0.43823352589846 0.88590666901546 78.960 22 Se 0.83057144449432 0.16942855550568 0.92940095778913 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.022525220000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.336953899999997 0.000000000000000 c 0.000000000000000 0.000000000000000 16.777165730000000 Atomic positions (fractional): *1 Cs 0.50000000000000 0.43961727774815 0.25000000000000 132.905 > 1 2 Cs 0.00000000000000 0.06038272225185 0.75000000000000 132.905 > 2 3 Cs 0.00000000000000 0.93961727774815 0.25000000000000 132.905 > 1 4 Cs 0.50000000000000 0.56038272225185 0.75000000000000 132.905 > 2 *5 Lu 0.50000000000000 0.30720963157612 0.90803240000640 174.967 > 3 6 Lu 0.50000000000000 0.30720963157612 0.59196759999360 174.967 > 4 7 Lu 0.00000000000000 0.19279036842388 0.09196759999360 174.967 > 5 8 Lu 0.00000000000000 0.19279036842388 0.40803240000640 174.967 > 6 9 Lu 0.00000000000000 0.80720963157612 0.90803240000640 174.967 > 3 10 Lu 0.00000000000000 0.80720963157612 0.59196759999360 174.967 > 4 11 Lu 0.50000000000000 0.69279036842388 0.09196759999360 174.967 > 5 12 Lu 0.50000000000000 0.69279036842388 0.40803240000640 174.967 > 6 *13 Cu 0.00000000000000 0.34547627243115 0.75000000000000 63.546 > 7 *14 Cu 0.00000000000000 0.41583479676884 0.46878755740618 63.546 > 8 15 Cu 0.50000000000000 0.08416520323116 0.53121244259382 63.546 > 9 16 Cu 0.50000000000000 0.15452372756885 0.25000000000000 63.546 > 10 17 Cu 0.50000000000000 0.08416520323116 0.96878755740618 63.546 > 11 18 Cu 0.00000000000000 0.41583479676884 0.03121244259382 63.546 > 12 19 Cu 0.50000000000000 0.84547627243115 0.75000000000000 63.546 > 7 20 Cu 0.50000000000000 0.91583479676884 0.46878755740618 63.546 > 8 21 Cu 0.00000000000000 0.58416520323116 0.53121244259382 63.546 > 9 22 Cu 0.00000000000000 0.65452372756885 0.25000000000000 63.546 > 10 23 Cu 0.00000000000000 0.58416520323116 0.96878755740618 63.546 > 11 24 Cu 0.50000000000000 0.91583479676884 0.03121244259382 63.546 > 12 *25 Se 0.50000000000000 0.25898174271457 0.75000000000000 78.960 > 13 *26 Se 0.00000000000000 0.16942855550568 0.57059904221087 78.960 > 14 27 Se 0.00000000000000 0.24101825728543 0.25000000000000 78.960 > 15 28 Se 0.50000000000000 0.33057144449433 0.07059904221087 78.960 > 16 29 Se 0.50000000000000 0.33057144449433 0.42940095778913 78.960 > 17 *30 Se 0.50000000000000 0.06176647410154 0.38590666901546 78.960 > 18 31 Se 0.00000000000000 0.43823352589846 0.61409333098454 78.960 > 19 32 Se 0.50000000000000 0.06176647410154 0.11409333098454 78.960 > 20 33 Se 0.00000000000000 0.43823352589846 0.88590666901546 78.960 > 21 34 Se 0.00000000000000 0.16942855550568 0.92940095778913 78.960 > 22 35 Se 0.00000000000000 0.75898174271457 0.75000000000000 78.960 > 13 36 Se 0.50000000000000 0.66942855550568 0.57059904221087 78.960 > 14 37 Se 0.50000000000000 0.74101825728543 0.25000000000000 78.960 > 15 38 Se 0.00000000000000 0.83057144449432 0.07059904221087 78.960 > 16 39 Se 0.00000000000000 0.83057144449432 0.42940095778913 78.960 > 17 40 Se 0.00000000000000 0.56176647410154 0.38590666901546 78.960 > 18 41 Se 0.50000000000000 0.93823352589846 0.61409333098454 78.960 > 19 42 Se 0.00000000000000 0.56176647410154 0.11409333098454 78.960 > 20 43 Se 0.50000000000000 0.93823352589846 0.88590666901546 78.960 > 21 44 Se 0.50000000000000 0.66942855550568 0.92940095778913 78.960 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.067575660000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.336953899999997 0.000000000000000 c 0.000000000000000 0.000000000000000 16.777165730000000 Atomic positions (fractional): *1 Cs 0.16666666666667 0.43961727774815 0.25000000000000 132.905 > 1 2 Cs 0.50000000000000 0.43961727774815 0.25000000000000 132.905 > 1 3 Cs 0.83333333333333 0.43961727774815 0.25000000000000 132.905 > 1 4 Cs 0.00000000000000 0.06038272225185 0.75000000000000 132.905 > 2 5 Cs 0.33333333333333 0.06038272225185 0.75000000000000 132.905 > 2 6 Cs 0.66666666666667 0.06038272225185 0.75000000000000 132.905 > 2 7 Cs 0.00000000000000 0.93961727774815 0.25000000000000 132.905 > 1 8 Cs 0.33333333333333 0.93961727774815 0.25000000000000 132.905 > 1 9 Cs 0.66666666666667 0.93961727774815 0.25000000000000 132.905 > 1 10 Cs 0.16666666666667 0.56038272225185 0.75000000000000 132.905 > 2 11 Cs 0.50000000000000 0.56038272225185 0.75000000000000 132.905 > 2 12 Cs 0.83333333333333 0.56038272225185 0.75000000000000 132.905 > 2 *13 Lu 0.16666666666667 0.30720963157612 0.90803240000640 174.967 > 3 14 Lu 0.50000000000000 0.30720963157612 0.90803240000640 174.967 > 3 15 Lu 0.83333333333333 0.30720963157612 0.90803240000640 174.967 > 3 16 Lu 0.16666666666667 0.30720963157612 0.59196759999360 174.967 > 4 17 Lu 0.50000000000000 0.30720963157612 0.59196759999360 174.967 > 4 18 Lu 0.83333333333333 0.30720963157612 0.59196759999360 174.967 > 4 19 Lu 0.00000000000000 0.19279036842388 0.09196759999360 174.967 > 5 20 Lu 0.33333333333333 0.19279036842388 0.09196759999360 174.967 > 5 21 Lu 0.66666666666667 0.19279036842388 0.09196759999360 174.967 > 5 22 Lu 0.00000000000000 0.19279036842388 0.40803240000640 174.967 > 6 23 Lu 0.33333333333333 0.19279036842388 0.40803240000640 174.967 > 6 24 Lu 0.66666666666667 0.19279036842388 0.40803240000640 174.967 > 6 25 Lu 0.00000000000000 0.80720963157612 0.90803240000640 174.967 > 3 26 Lu 0.33333333333333 0.80720963157612 0.90803240000640 174.967 > 3 27 Lu 0.66666666666667 0.80720963157612 0.90803240000640 174.967 > 3 28 Lu 0.00000000000000 0.80720963157612 0.59196759999360 174.967 > 4 29 Lu 0.33333333333333 0.80720963157612 0.59196759999360 174.967 > 4 30 Lu 0.66666666666667 0.80720963157612 0.59196759999360 174.967 > 4 31 Lu 0.16666666666667 0.69279036842388 0.09196759999360 174.967 > 5 32 Lu 0.50000000000000 0.69279036842388 0.09196759999360 174.967 > 5 33 Lu 0.83333333333333 0.69279036842388 0.09196759999360 174.967 > 5 34 Lu 0.16666666666667 0.69279036842388 0.40803240000640 174.967 > 6 35 Lu 0.50000000000000 0.69279036842388 0.40803240000640 174.967 > 6 36 Lu 0.83333333333333 0.69279036842388 0.40803240000640 174.967 > 6 *37 Cu 0.00000000000000 0.34547627243115 0.75000000000000 63.546 > 7 38 Cu 0.33333333333333 0.34547627243115 0.75000000000000 63.546 > 7 39 Cu 0.66666666666667 0.34547627243115 0.75000000000000 63.546 > 7 *40 Cu 0.00000000000000 0.41583479676884 0.46878755740618 63.546 > 8 41 Cu 0.33333333333333 0.41583479676884 0.46878755740618 63.546 > 8 42 Cu 0.66666666666667 0.41583479676884 0.46878755740618 63.546 > 8 43 Cu 0.16666666666667 0.08416520323116 0.53121244259382 63.546 > 9 44 Cu 0.50000000000000 0.08416520323116 0.53121244259382 63.546 > 9 45 Cu 0.83333333333333 0.08416520323116 0.53121244259382 63.546 > 9 46 Cu 0.16666666666667 0.15452372756885 0.25000000000000 63.546 > 10 47 Cu 0.50000000000000 0.15452372756885 0.25000000000000 63.546 > 10 48 Cu 0.83333333333333 0.15452372756885 0.25000000000000 63.546 > 10 49 Cu 0.16666666666667 0.08416520323116 0.96878755740618 63.546 > 11 50 Cu 0.50000000000000 0.08416520323116 0.96878755740618 63.546 > 11 51 Cu 0.83333333333333 0.08416520323116 0.96878755740618 63.546 > 11 52 Cu 0.00000000000000 0.41583479676884 0.03121244259382 63.546 > 12 53 Cu 0.33333333333333 0.41583479676884 0.03121244259382 63.546 > 12 54 Cu 0.66666666666667 0.41583479676884 0.03121244259382 63.546 > 12 55 Cu 0.16666666666667 0.84547627243115 0.75000000000000 63.546 > 7 56 Cu 0.50000000000000 0.84547627243115 0.75000000000000 63.546 > 7 57 Cu 0.83333333333333 0.84547627243115 0.75000000000000 63.546 > 7 58 Cu 0.16666666666667 0.91583479676884 0.46878755740618 63.546 > 8 59 Cu 0.50000000000000 0.91583479676884 0.46878755740618 63.546 > 8 60 Cu 0.83333333333333 0.91583479676884 0.46878755740618 63.546 > 8 61 Cu 0.00000000000000 0.58416520323116 0.53121244259382 63.546 > 9 62 Cu 0.33333333333333 0.58416520323116 0.53121244259382 63.546 > 9 63 Cu 0.66666666666667 0.58416520323116 0.53121244259382 63.546 > 9 64 Cu 0.00000000000000 0.65452372756885 0.25000000000000 63.546 > 10 65 Cu 0.33333333333333 0.65452372756885 0.25000000000000 63.546 > 10 66 Cu 0.66666666666667 0.65452372756885 0.25000000000000 63.546 > 10 67 Cu 0.00000000000000 0.58416520323116 0.96878755740618 63.546 > 11 68 Cu 0.33333333333333 0.58416520323116 0.96878755740618 63.546 > 11 69 Cu 0.66666666666667 0.58416520323116 0.96878755740618 63.546 > 11 70 Cu 0.16666666666667 0.91583479676884 0.03121244259382 63.546 > 12 71 Cu 0.50000000000000 0.91583479676884 0.03121244259382 63.546 > 12 72 Cu 0.83333333333333 0.91583479676884 0.03121244259382 63.546 > 12 *73 Se 0.16666666666667 0.25898174271457 0.75000000000000 78.960 > 13 74 Se 0.50000000000000 0.25898174271457 0.75000000000000 78.960 > 13 75 Se 0.83333333333333 0.25898174271457 0.75000000000000 78.960 > 13 *76 Se 0.00000000000000 0.16942855550568 0.57059904221087 78.960 > 14 77 Se 0.33333333333333 0.16942855550568 0.57059904221087 78.960 > 14 78 Se 0.66666666666667 0.16942855550568 0.57059904221087 78.960 > 14 79 Se 0.00000000000000 0.24101825728543 0.25000000000000 78.960 > 15 80 Se 0.33333333333333 0.24101825728543 0.25000000000000 78.960 > 15 81 Se 0.66666666666667 0.24101825728543 0.25000000000000 78.960 > 15 82 Se 0.16666666666667 0.33057144449433 0.07059904221087 78.960 > 16 83 Se 0.50000000000000 0.33057144449433 0.07059904221087 78.960 > 16 84 Se 0.83333333333333 0.33057144449433 0.07059904221087 78.960 > 16 85 Se 0.16666666666667 0.33057144449433 0.42940095778913 78.960 > 17 86 Se 0.50000000000000 0.33057144449433 0.42940095778913 78.960 > 17 87 Se 0.83333333333333 0.33057144449433 0.42940095778913 78.960 > 17 *88 Se 0.16666666666667 0.06176647410154 0.38590666901546 78.960 > 18 89 Se 0.50000000000000 0.06176647410154 0.38590666901546 78.960 > 18 90 Se 0.83333333333333 0.06176647410154 0.38590666901546 78.960 > 18 91 Se 0.00000000000000 0.43823352589846 0.61409333098454 78.960 > 19 92 Se 0.33333333333333 0.43823352589846 0.61409333098454 78.960 > 19 93 Se 0.66666666666667 0.43823352589846 0.61409333098454 78.960 > 19 94 Se 0.16666666666667 0.06176647410154 0.11409333098454 78.960 > 20 95 Se 0.50000000000000 0.06176647410154 0.11409333098454 78.960 > 20 96 Se 0.83333333333333 0.06176647410154 0.11409333098454 78.960 > 20 97 Se 0.00000000000000 0.43823352589846 0.88590666901546 78.960 > 21 98 Se 0.33333333333333 0.43823352589846 0.88590666901546 78.960 > 21 99 Se 0.66666666666667 0.43823352589846 0.88590666901546 78.960 > 21 100 Se 0.00000000000000 0.16942855550568 0.92940095778913 78.960 > 22 101 Se 0.33333333333333 0.16942855550568 0.92940095778913 78.960 > 22 102 Se 0.66666666666667 0.16942855550568 0.92940095778913 78.960 > 22 103 Se 0.00000000000000 0.75898174271457 0.75000000000000 78.960 > 13 104 Se 0.33333333333333 0.75898174271457 0.75000000000000 78.960 > 13 105 Se 0.66666666666667 0.75898174271457 0.75000000000000 78.960 > 13 106 Se 0.16666666666667 0.66942855550568 0.57059904221087 78.960 > 14 107 Se 0.50000000000000 0.66942855550568 0.57059904221087 78.960 > 14 108 Se 0.83333333333333 0.66942855550568 0.57059904221087 78.960 > 14 109 Se 0.16666666666667 0.74101825728543 0.25000000000000 78.960 > 15 110 Se 0.50000000000000 0.74101825728543 0.25000000000000 78.960 > 15 111 Se 0.83333333333333 0.74101825728543 0.25000000000000 78.960 > 15 112 Se 0.00000000000000 0.83057144449432 0.07059904221087 78.960 > 16 113 Se 0.33333333333333 0.83057144449432 0.07059904221087 78.960 > 16 114 Se 0.66666666666667 0.83057144449432 0.07059904221087 78.960 > 16 115 Se 0.00000000000000 0.83057144449432 0.42940095778913 78.960 > 17 116 Se 0.33333333333333 0.83057144449432 0.42940095778913 78.960 > 17 117 Se 0.66666666666667 0.83057144449432 0.42940095778913 78.960 > 17 118 Se 0.00000000000000 0.56176647410154 0.38590666901546 78.960 > 18 119 Se 0.33333333333333 0.56176647410154 0.38590666901546 78.960 > 18 120 Se 0.66666666666667 0.56176647410154 0.38590666901546 78.960 > 18 121 Se 0.16666666666667 0.93823352589846 0.61409333098454 78.960 > 19 122 Se 0.50000000000000 0.93823352589846 0.61409333098454 78.960 > 19 123 Se 0.83333333333333 0.93823352589846 0.61409333098454 78.960 > 19 124 Se 0.00000000000000 0.56176647410154 0.11409333098454 78.960 > 20 125 Se 0.33333333333333 0.56176647410154 0.11409333098454 78.960 > 20 126 Se 0.66666666666667 0.56176647410154 0.11409333098454 78.960 > 20 127 Se 0.16666666666667 0.93823352589846 0.88590666901546 78.960 > 21 128 Se 0.50000000000000 0.93823352589846 0.88590666901546 78.960 > 21 129 Se 0.83333333333333 0.93823352589846 0.88590666901546 78.960 > 21 130 Se 0.16666666666667 0.66942855550568 0.92940095778913 78.960 > 22 131 Se 0.50000000000000 0.66942855550568 0.92940095778913 78.960 > 22 132 Se 0.83333333333333 0.66942855550568 0.92940095778913 78.960 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.6099952 0.0000000 0.0000000 0.0000000 8.8281319 0.0000000 0.0000000 0.0000000 10.6538182 -------------------------- Born effective charges -------------------------- 1 Cs 1.0916804 0.0000000 0.0000000 0.0000000 1.6770090 0.0000000 0.0000000 0.0000000 1.7378205 2 Cs 1.0916804 0.0000000 0.0000000 0.0000000 1.6770090 0.0000000 0.0000000 0.0000000 1.7378205 3 Lu 4.5772212 0.0000000 0.0000000 0.0000000 3.1167942 -0.9856629 0.0000000 -0.0650538 4.2196018 4 Lu 4.5772212 0.0000000 0.0000000 0.0000000 3.1167942 0.9856629 0.0000000 0.0650538 4.2196018 5 Lu 4.5772212 0.0000000 0.0000000 0.0000000 3.1167942 -0.9856629 0.0000000 -0.0650538 4.2196018 6 Lu 4.5772212 0.0000000 0.0000000 0.0000000 3.1167942 0.9856629 0.0000000 0.0650538 4.2196018 7 Cu 0.7179095 0.0000000 0.0000000 0.0000000 0.5777111 0.0000000 0.0000000 0.0000000 1.4233906 8 Cu 1.0276969 0.0000000 0.0000000 0.0000000 0.9490398 -0.2357281 0.0000000 -0.2111777 0.9746390 9 Cu 1.0276969 0.0000000 0.0000000 0.0000000 0.9490398 -0.2357281 0.0000000 -0.2111777 0.9746390 10 Cu 0.7179095 0.0000000 0.0000000 0.0000000 0.5777111 0.0000000 0.0000000 0.0000000 1.4233906 11 Cu 1.0276969 0.0000000 0.0000000 0.0000000 0.9490398 0.2357281 0.0000000 0.2111777 0.9746390 12 Cu 1.0276969 0.0000000 0.0000000 0.0000000 0.9490398 0.2357281 0.0000000 0.2111777 0.9746390 13 Se -1.5551119 0.0000000 0.0000000 0.0000000 -1.7274597 0.0000000 0.0000000 0.0000000 -4.2657352 14 Se -3.2971155 0.0000000 0.0000000 0.0000000 -2.0696120 -0.2623882 0.0000000 -0.4048981 -2.1135936 15 Se -1.5551119 0.0000000 0.0000000 0.0000000 -1.7274597 0.0000000 0.0000000 0.0000000 -4.2657352 16 Se -3.2971155 0.0000000 0.0000000 0.0000000 -2.0696120 0.2623882 0.0000000 0.4048981 -2.1135936 17 Se -3.2971155 0.0000000 0.0000000 0.0000000 -2.0696120 -0.2623882 0.0000000 -0.4048981 -2.1135936 18 Se -2.4350416 0.0000000 0.0000000 0.0000000 -2.2598523 -0.0531086 0.0000000 0.4825949 -2.5283850 19 Se -2.4350416 0.0000000 0.0000000 0.0000000 -2.2598523 -0.0531086 0.0000000 0.4825949 -2.5283850 20 Se -2.4350416 0.0000000 0.0000000 0.0000000 -2.2598523 0.0531086 0.0000000 -0.4825949 -2.5283850 21 Se -2.4350416 0.0000000 0.0000000 0.0000000 -2.2598523 0.0531086 0.0000000 -0.4825949 -2.5283850 22 Se -3.2971155 0.0000000 0.0000000 0.0000000 -2.0696120 0.2623882 0.0000000 0.4048981 -2.1135936 ---------------------------------------------------------------------------- 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: 396/396 Permutation basis: 15339/15339 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1844 Number of blocks in projector: 1844 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: 448 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 260 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 224 Use standard eigh solver. Tree of FC basis block matrices: - (1844, 1815), data: False |-- (224, 224), data: True |-- (260, 260), data: True |-- (304, 297), data: True |-- (304, 297), data: True |-- (304, 297), data: True |-- (448, 440), data: True ----- Solver_atoms: 1 -- 132 / 132 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 3.388 Solver_block: 200 / 400 - Time: 3.422 Solver_block: 300 / 400 - Time: 3.418 Solver_block: 400 / 400 - Time: 3.421 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.701 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 396/396 Permutation basis: 15339/15339 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1844 Number of blocks in projector: 1844 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: 448 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 260 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 224 Use standard eigh solver. Tree of FC basis block matrices: - (1844, 1815), data: False |-- (224, 224), data: True |-- (260, 260), data: True |-- (304, 297), data: True |-- (304, 297), data: True |-- (304, 297), data: True |-- (448, 440), 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 19:54:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:54:53]------------------------- 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): [3 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.011262610000000 -7.168476949999999 0.000000000000000 b 2.011262610000000 7.168476949999999 0.000000000000000 c 0.000000000000000 0.000000000000000 16.777165730000000 Atomic positions (fractional): 1 Cs 0.06038272225185 0.93961727774815 0.25000000000000 132.905 2 Cs 0.93961727774815 0.06038272225185 0.75000000000000 132.905 3 Lu 0.19279036842388 0.80720963157612 0.90803240000640 174.967 4 Lu 0.19279036842388 0.80720963157612 0.59196759999360 174.967 5 Lu 0.80720963157612 0.19279036842388 0.09196759999360 174.967 6 Lu 0.80720963157612 0.19279036842388 0.40803240000640 174.967 7 Cu 0.65452372756885 0.34547627243115 0.75000000000000 63.546 8 Cu 0.58416520323116 0.41583479676884 0.46878755740618 63.546 9 Cu 0.41583479676884 0.58416520323116 0.53121244259382 63.546 10 Cu 0.34547627243115 0.65452372756885 0.25000000000000 63.546 11 Cu 0.41583479676884 0.58416520323116 0.96878755740618 63.546 12 Cu 0.58416520323116 0.41583479676884 0.03121244259382 63.546 13 Se 0.24101825728543 0.75898174271457 0.75000000000000 78.960 14 Se 0.83057144449432 0.16942855550568 0.57059904221087 78.960 15 Se 0.75898174271457 0.24101825728543 0.25000000000000 78.960 16 Se 0.16942855550567 0.83057144449433 0.07059904221087 78.960 17 Se 0.16942855550567 0.83057144449433 0.42940095778913 78.960 18 Se 0.43823352589846 0.56176647410154 0.38590666901546 78.960 19 Se 0.56176647410154 0.43823352589846 0.61409333098454 78.960 20 Se 0.43823352589846 0.56176647410154 0.11409333098454 78.960 21 Se 0.56176647410154 0.43823352589846 0.88590666901546 78.960 22 Se 0.83057144449432 0.16942855550568 0.92940095778913 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.067575660000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.336953899999997 0.000000000000000 c 0.000000000000000 0.000000000000000 16.777165730000000 Atomic positions (fractional): 1 Cs 0.16666666666667 0.43961727774815 0.25000000000000 132.905 > 1 2 Cs 0.50000000000000 0.43961727774815 0.25000000000000 132.905 > 1 3 Cs 0.83333333333333 0.43961727774815 0.25000000000000 132.905 > 1 4 Cs 0.00000000000000 0.06038272225185 0.75000000000000 132.905 > 4 5 Cs 0.33333333333333 0.06038272225185 0.75000000000000 132.905 > 4 6 Cs 0.66666666666667 0.06038272225185 0.75000000000000 132.905 > 4 7 Cs 0.00000000000000 0.93961727774815 0.25000000000000 132.905 > 1 8 Cs 0.33333333333333 0.93961727774815 0.25000000000000 132.905 > 1 9 Cs 0.66666666666667 0.93961727774815 0.25000000000000 132.905 > 1 10 Cs 0.16666666666667 0.56038272225185 0.75000000000000 132.905 > 4 11 Cs 0.50000000000000 0.56038272225185 0.75000000000000 132.905 > 4 12 Cs 0.83333333333333 0.56038272225185 0.75000000000000 132.905 > 4 13 Lu 0.16666666666667 0.30720963157612 0.90803240000640 174.967 > 13 14 Lu 0.50000000000000 0.30720963157612 0.90803240000640 174.967 > 13 15 Lu 0.83333333333333 0.30720963157612 0.90803240000640 174.967 > 13 16 Lu 0.16666666666667 0.30720963157612 0.59196759999360 174.967 > 16 17 Lu 0.50000000000000 0.30720963157612 0.59196759999360 174.967 > 16 18 Lu 0.83333333333333 0.30720963157612 0.59196759999360 174.967 > 16 19 Lu 0.00000000000000 0.19279036842388 0.09196759999360 174.967 > 19 20 Lu 0.33333333333333 0.19279036842388 0.09196759999360 174.967 > 19 21 Lu 0.66666666666667 0.19279036842388 0.09196759999360 174.967 > 19 22 Lu 0.00000000000000 0.19279036842388 0.40803240000640 174.967 > 22 23 Lu 0.33333333333333 0.19279036842388 0.40803240000640 174.967 > 22 24 Lu 0.66666666666667 0.19279036842388 0.40803240000640 174.967 > 22 25 Lu 0.00000000000000 0.80720963157612 0.90803240000640 174.967 > 13 26 Lu 0.33333333333333 0.80720963157612 0.90803240000640 174.967 > 13 27 Lu 0.66666666666667 0.80720963157612 0.90803240000640 174.967 > 13 28 Lu 0.00000000000000 0.80720963157612 0.59196759999360 174.967 > 16 29 Lu 0.33333333333333 0.80720963157612 0.59196759999360 174.967 > 16 30 Lu 0.66666666666667 0.80720963157612 0.59196759999360 174.967 > 16 31 Lu 0.16666666666667 0.69279036842388 0.09196759999360 174.967 > 19 32 Lu 0.50000000000000 0.69279036842388 0.09196759999360 174.967 > 19 33 Lu 0.83333333333333 0.69279036842388 0.09196759999360 174.967 > 19 34 Lu 0.16666666666667 0.69279036842388 0.40803240000640 174.967 > 22 35 Lu 0.50000000000000 0.69279036842388 0.40803240000640 174.967 > 22 36 Lu 0.83333333333333 0.69279036842388 0.40803240000640 174.967 > 22 37 Cu 0.00000000000000 0.34547627243115 0.75000000000000 63.546 > 37 38 Cu 0.33333333333333 0.34547627243115 0.75000000000000 63.546 > 37 39 Cu 0.66666666666667 0.34547627243115 0.75000000000000 63.546 > 37 40 Cu 0.00000000000000 0.41583479676884 0.46878755740618 63.546 > 40 41 Cu 0.33333333333333 0.41583479676884 0.46878755740618 63.546 > 40 42 Cu 0.66666666666667 0.41583479676884 0.46878755740618 63.546 > 40 43 Cu 0.16666666666667 0.08416520323116 0.53121244259382 63.546 > 43 44 Cu 0.50000000000000 0.08416520323116 0.53121244259382 63.546 > 43 45 Cu 0.83333333333333 0.08416520323116 0.53121244259382 63.546 > 43 46 Cu 0.16666666666667 0.15452372756885 0.25000000000000 63.546 > 46 47 Cu 0.50000000000000 0.15452372756885 0.25000000000000 63.546 > 46 48 Cu 0.83333333333333 0.15452372756885 0.25000000000000 63.546 > 46 49 Cu 0.16666666666667 0.08416520323116 0.96878755740618 63.546 > 49 50 Cu 0.50000000000000 0.08416520323116 0.96878755740618 63.546 > 49 51 Cu 0.83333333333333 0.08416520323116 0.96878755740618 63.546 > 49 52 Cu 0.00000000000000 0.41583479676884 0.03121244259382 63.546 > 52 53 Cu 0.33333333333333 0.41583479676884 0.03121244259382 63.546 > 52 54 Cu 0.66666666666667 0.41583479676884 0.03121244259382 63.546 > 52 55 Cu 0.16666666666667 0.84547627243115 0.75000000000000 63.546 > 37 56 Cu 0.50000000000000 0.84547627243115 0.75000000000000 63.546 > 37 57 Cu 0.83333333333333 0.84547627243115 0.75000000000000 63.546 > 37 58 Cu 0.16666666666667 0.91583479676884 0.46878755740618 63.546 > 40 59 Cu 0.50000000000000 0.91583479676884 0.46878755740618 63.546 > 40 60 Cu 0.83333333333333 0.91583479676884 0.46878755740618 63.546 > 40 61 Cu 0.00000000000000 0.58416520323116 0.53121244259382 63.546 > 43 62 Cu 0.33333333333333 0.58416520323116 0.53121244259382 63.546 > 43 63 Cu 0.66666666666667 0.58416520323116 0.53121244259382 63.546 > 43 64 Cu 0.00000000000000 0.65452372756885 0.25000000000000 63.546 > 46 65 Cu 0.33333333333333 0.65452372756885 0.25000000000000 63.546 > 46 66 Cu 0.66666666666667 0.65452372756885 0.25000000000000 63.546 > 46 67 Cu 0.00000000000000 0.58416520323116 0.96878755740618 63.546 > 49 68 Cu 0.33333333333333 0.58416520323116 0.96878755740618 63.546 > 49 69 Cu 0.66666666666667 0.58416520323116 0.96878755740618 63.546 > 49 70 Cu 0.16666666666667 0.91583479676884 0.03121244259382 63.546 > 52 71 Cu 0.50000000000000 0.91583479676884 0.03121244259382 63.546 > 52 72 Cu 0.83333333333333 0.91583479676884 0.03121244259382 63.546 > 52 73 Se 0.16666666666667 0.25898174271457 0.75000000000000 78.960 > 73 74 Se 0.50000000000000 0.25898174271457 0.75000000000000 78.960 > 73 75 Se 0.83333333333333 0.25898174271457 0.75000000000000 78.960 > 73 76 Se 0.00000000000000 0.16942855550568 0.57059904221087 78.960 > 76 77 Se 0.33333333333333 0.16942855550568 0.57059904221087 78.960 > 76 78 Se 0.66666666666667 0.16942855550568 0.57059904221087 78.960 > 76 79 Se 0.00000000000000 0.24101825728543 0.25000000000000 78.960 > 79 80 Se 0.33333333333333 0.24101825728543 0.25000000000000 78.960 > 79 81 Se 0.66666666666667 0.24101825728543 0.25000000000000 78.960 > 79 82 Se 0.16666666666667 0.33057144449433 0.07059904221087 78.960 > 82 83 Se 0.50000000000000 0.33057144449433 0.07059904221087 78.960 > 82 84 Se 0.83333333333333 0.33057144449433 0.07059904221087 78.960 > 82 85 Se 0.16666666666667 0.33057144449433 0.42940095778913 78.960 > 85 86 Se 0.50000000000000 0.33057144449433 0.42940095778913 78.960 > 85 87 Se 0.83333333333333 0.33057144449433 0.42940095778913 78.960 > 85 88 Se 0.16666666666667 0.06176647410154 0.38590666901546 78.960 > 88 89 Se 0.50000000000000 0.06176647410154 0.38590666901546 78.960 > 88 90 Se 0.83333333333333 0.06176647410154 0.38590666901546 78.960 > 88 91 Se 0.00000000000000 0.43823352589846 0.61409333098454 78.960 > 91 92 Se 0.33333333333333 0.43823352589846 0.61409333098454 78.960 > 91 93 Se 0.66666666666667 0.43823352589846 0.61409333098454 78.960 > 91 94 Se 0.16666666666667 0.06176647410154 0.11409333098454 78.960 > 94 95 Se 0.50000000000000 0.06176647410154 0.11409333098454 78.960 > 94 96 Se 0.83333333333333 0.06176647410154 0.11409333098454 78.960 > 94 97 Se 0.00000000000000 0.43823352589846 0.88590666901546 78.960 > 97 98 Se 0.33333333333333 0.43823352589846 0.88590666901546 78.960 > 97 99 Se 0.66666666666667 0.43823352589846 0.88590666901546 78.960 > 97 100 Se 0.00000000000000 0.16942855550568 0.92940095778913 78.960 > 100 101 Se 0.33333333333333 0.16942855550568 0.92940095778913 78.960 > 100 102 Se 0.66666666666667 0.16942855550568 0.92940095778913 78.960 > 100 103 Se 0.00000000000000 0.75898174271457 0.75000000000000 78.960 > 73 104 Se 0.33333333333333 0.75898174271457 0.75000000000000 78.960 > 73 105 Se 0.66666666666667 0.75898174271457 0.75000000000000 78.960 > 73 106 Se 0.16666666666667 0.66942855550568 0.57059904221087 78.960 > 76 107 Se 0.50000000000000 0.66942855550568 0.57059904221087 78.960 > 76 108 Se 0.83333333333333 0.66942855550568 0.57059904221087 78.960 > 76 109 Se 0.16666666666667 0.74101825728543 0.25000000000000 78.960 > 79 110 Se 0.50000000000000 0.74101825728543 0.25000000000000 78.960 > 79 111 Se 0.83333333333333 0.74101825728543 0.25000000000000 78.960 > 79 112 Se 0.00000000000000 0.83057144449432 0.07059904221087 78.960 > 82 113 Se 0.33333333333333 0.83057144449432 0.07059904221087 78.960 > 82 114 Se 0.66666666666667 0.83057144449432 0.07059904221087 78.960 > 82 115 Se 0.00000000000000 0.83057144449432 0.42940095778913 78.960 > 85 116 Se 0.33333333333333 0.83057144449432 0.42940095778913 78.960 > 85 117 Se 0.66666666666667 0.83057144449432 0.42940095778913 78.960 > 85 118 Se 0.00000000000000 0.56176647410154 0.38590666901546 78.960 > 88 119 Se 0.33333333333333 0.56176647410154 0.38590666901546 78.960 > 88 120 Se 0.66666666666667 0.56176647410154 0.38590666901546 78.960 > 88 121 Se 0.16666666666667 0.93823352589846 0.61409333098454 78.960 > 91 122 Se 0.50000000000000 0.93823352589846 0.61409333098454 78.960 > 91 123 Se 0.83333333333333 0.93823352589846 0.61409333098454 78.960 > 91 124 Se 0.00000000000000 0.56176647410154 0.11409333098454 78.960 > 94 125 Se 0.33333333333333 0.56176647410154 0.11409333098454 78.960 > 94 126 Se 0.66666666666667 0.56176647410154 0.11409333098454 78.960 > 94 127 Se 0.16666666666667 0.93823352589846 0.88590666901546 78.960 > 97 128 Se 0.50000000000000 0.93823352589846 0.88590666901546 78.960 > 97 129 Se 0.83333333333333 0.93823352589846 0.88590666901546 78.960 > 97 130 Se 0.16666666666667 0.66942855550568 0.92940095778913 78.960 > 100 131 Se 0.50000000000000 0.66942855550568 0.92940095778913 78.960 > 100 132 Se 0.83333333333333 0.66942855550568 0.92940095778913 78.960 > 100 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.6099952 0.0000000 0.0000000 0.0000000 8.8281319 0.0000000 0.0000000 0.0000000 10.6538182 -------------------------- Born effective charges -------------------------- 1 Cs 1.0916804 0.0000000 0.0000000 0.0000000 1.6770090 0.0000000 0.0000000 0.0000000 1.7378205 2 Cs 1.0916804 0.0000000 0.0000000 0.0000000 1.6770090 0.0000000 0.0000000 0.0000000 1.7378205 3 Lu 4.5772212 0.0000000 0.0000000 0.0000000 3.1167942 -0.9856629 0.0000000 -0.0650538 4.2196018 4 Lu 4.5772212 0.0000000 0.0000000 0.0000000 3.1167942 0.9856629 0.0000000 0.0650538 4.2196018 5 Lu 4.5772212 0.0000000 0.0000000 0.0000000 3.1167942 -0.9856629 0.0000000 -0.0650538 4.2196018 6 Lu 4.5772212 0.0000000 0.0000000 0.0000000 3.1167942 0.9856629 0.0000000 0.0650538 4.2196018 7 Cu 0.7179095 0.0000000 0.0000000 0.0000000 0.5777111 0.0000000 0.0000000 0.0000000 1.4233906 8 Cu 1.0276969 0.0000000 0.0000000 0.0000000 0.9490398 -0.2357281 0.0000000 -0.2111777 0.9746390 9 Cu 1.0276969 0.0000000 0.0000000 0.0000000 0.9490398 -0.2357281 0.0000000 -0.2111777 0.9746390 10 Cu 0.7179095 0.0000000 0.0000000 0.0000000 0.5777111 0.0000000 0.0000000 0.0000000 1.4233906 11 Cu 1.0276969 0.0000000 0.0000000 0.0000000 0.9490398 0.2357281 0.0000000 0.2111777 0.9746390 12 Cu 1.0276969 0.0000000 0.0000000 0.0000000 0.9490398 0.2357281 0.0000000 0.2111777 0.9746390 13 Se -1.5551119 0.0000000 0.0000000 0.0000000 -1.7274597 0.0000000 0.0000000 0.0000000 -4.2657352 14 Se -3.2971155 0.0000000 0.0000000 0.0000000 -2.0696120 -0.2623882 0.0000000 -0.4048981 -2.1135936 15 Se -1.5551119 0.0000000 0.0000000 0.0000000 -1.7274597 0.0000000 0.0000000 0.0000000 -4.2657352 16 Se -3.2971155 0.0000000 0.0000000 0.0000000 -2.0696120 0.2623882 0.0000000 0.4048981 -2.1135936 17 Se -3.2971155 0.0000000 0.0000000 0.0000000 -2.0696120 -0.2623882 0.0000000 -0.4048981 -2.1135936 18 Se -2.4350416 0.0000000 0.0000000 0.0000000 -2.2598523 -0.0531086 0.0000000 0.4825949 -2.5283850 19 Se -2.4350416 0.0000000 0.0000000 0.0000000 -2.2598523 -0.0531086 0.0000000 0.4825949 -2.5283850 20 Se -2.4350416 0.0000000 0.0000000 0.0000000 -2.2598523 0.0531086 0.0000000 -0.4825949 -2.5283850 21 Se -2.4350416 0.0000000 0.0000000 0.0000000 -2.2598523 0.0531086 0.0000000 -0.4825949 -2.5283850 22 Se -3.2971155 0.0000000 0.0000000 0.0000000 -2.0696120 0.2623882 0.0000000 0.4048981 -2.1135936 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 40, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 76, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 88, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (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 19:55:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:55:21]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.011262610000000 -7.168476949999999 0.000000000000000 b 2.011262610000000 7.168476949999999 0.000000000000000 c 0.000000000000000 0.000000000000000 16.777165730000000 Atomic positions (fractional): 1 Cs 0.06038272225185 0.93961727774815 0.25000000000000 132.905 2 Cs 0.93961727774815 0.06038272225185 0.75000000000000 132.905 3 Lu 0.19279036842388 0.80720963157612 0.90803240000640 174.967 4 Lu 0.19279036842388 0.80720963157612 0.59196759999360 174.967 5 Lu 0.80720963157612 0.19279036842388 0.09196759999360 174.967 6 Lu 0.80720963157612 0.19279036842388 0.40803240000640 174.967 7 Cu 0.65452372756885 0.34547627243115 0.75000000000000 63.546 8 Cu 0.58416520323116 0.41583479676884 0.46878755740618 63.546 9 Cu 0.41583479676884 0.58416520323116 0.53121244259382 63.546 10 Cu 0.34547627243115 0.65452372756885 0.25000000000000 63.546 11 Cu 0.41583479676884 0.58416520323116 0.96878755740618 63.546 12 Cu 0.58416520323116 0.41583479676884 0.03121244259382 63.546 13 Se 0.24101825728543 0.75898174271457 0.75000000000000 78.960 14 Se 0.83057144449432 0.16942855550568 0.57059904221087 78.960 15 Se 0.75898174271457 0.24101825728543 0.25000000000000 78.960 16 Se 0.16942855550567 0.83057144449433 0.07059904221087 78.960 17 Se 0.16942855550567 0.83057144449433 0.42940095778913 78.960 18 Se 0.43823352589846 0.56176647410154 0.38590666901546 78.960 19 Se 0.56176647410154 0.43823352589846 0.61409333098454 78.960 20 Se 0.43823352589846 0.56176647410154 0.11409333098454 78.960 21 Se 0.56176647410154 0.43823352589846 0.88590666901546 78.960 22 Se 0.83057144449432 0.16942855550568 0.92940095778913 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.067575660000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.336953899999997 0.000000000000000 c 0.000000000000000 0.000000000000000 16.777165730000000 Atomic positions (fractional): 1 Cs 0.16666666666667 0.43961727774815 0.25000000000000 132.905 > 1 2 Cs 0.50000000000000 0.43961727774815 0.25000000000000 132.905 > 1 3 Cs 0.83333333333333 0.43961727774815 0.25000000000000 132.905 > 1 4 Cs 0.00000000000000 0.06038272225185 0.75000000000000 132.905 > 4 5 Cs 0.33333333333333 0.06038272225185 0.75000000000000 132.905 > 4 6 Cs 0.66666666666667 0.06038272225185 0.75000000000000 132.905 > 4 7 Cs 0.00000000000000 0.93961727774815 0.25000000000000 132.905 > 1 8 Cs 0.33333333333333 0.93961727774815 0.25000000000000 132.905 > 1 9 Cs 0.66666666666667 0.93961727774815 0.25000000000000 132.905 > 1 10 Cs 0.16666666666667 0.56038272225185 0.75000000000000 132.905 > 4 11 Cs 0.50000000000000 0.56038272225185 0.75000000000000 132.905 > 4 12 Cs 0.83333333333333 0.56038272225185 0.75000000000000 132.905 > 4 13 Lu 0.16666666666667 0.30720963157612 0.90803240000640 174.967 > 13 14 Lu 0.50000000000000 0.30720963157612 0.90803240000640 174.967 > 13 15 Lu 0.83333333333333 0.30720963157612 0.90803240000640 174.967 > 13 16 Lu 0.16666666666667 0.30720963157612 0.59196759999360 174.967 > 16 17 Lu 0.50000000000000 0.30720963157612 0.59196759999360 174.967 > 16 18 Lu 0.83333333333333 0.30720963157612 0.59196759999360 174.967 > 16 19 Lu 0.00000000000000 0.19279036842388 0.09196759999360 174.967 > 19 20 Lu 0.33333333333333 0.19279036842388 0.09196759999360 174.967 > 19 21 Lu 0.66666666666667 0.19279036842388 0.09196759999360 174.967 > 19 22 Lu 0.00000000000000 0.19279036842388 0.40803240000640 174.967 > 22 23 Lu 0.33333333333333 0.19279036842388 0.40803240000640 174.967 > 22 24 Lu 0.66666666666667 0.19279036842388 0.40803240000640 174.967 > 22 25 Lu 0.00000000000000 0.80720963157612 0.90803240000640 174.967 > 13 26 Lu 0.33333333333333 0.80720963157612 0.90803240000640 174.967 > 13 27 Lu 0.66666666666667 0.80720963157612 0.90803240000640 174.967 > 13 28 Lu 0.00000000000000 0.80720963157612 0.59196759999360 174.967 > 16 29 Lu 0.33333333333333 0.80720963157612 0.59196759999360 174.967 > 16 30 Lu 0.66666666666667 0.80720963157612 0.59196759999360 174.967 > 16 31 Lu 0.16666666666667 0.69279036842388 0.09196759999360 174.967 > 19 32 Lu 0.50000000000000 0.69279036842388 0.09196759999360 174.967 > 19 33 Lu 0.83333333333333 0.69279036842388 0.09196759999360 174.967 > 19 34 Lu 0.16666666666667 0.69279036842388 0.40803240000640 174.967 > 22 35 Lu 0.50000000000000 0.69279036842388 0.40803240000640 174.967 > 22 36 Lu 0.83333333333333 0.69279036842388 0.40803240000640 174.967 > 22 37 Cu 0.00000000000000 0.34547627243115 0.75000000000000 63.546 > 37 38 Cu 0.33333333333333 0.34547627243115 0.75000000000000 63.546 > 37 39 Cu 0.66666666666667 0.34547627243115 0.75000000000000 63.546 > 37 40 Cu 0.00000000000000 0.41583479676884 0.46878755740618 63.546 > 40 41 Cu 0.33333333333333 0.41583479676884 0.46878755740618 63.546 > 40 42 Cu 0.66666666666667 0.41583479676884 0.46878755740618 63.546 > 40 43 Cu 0.16666666666667 0.08416520323116 0.53121244259382 63.546 > 43 44 Cu 0.50000000000000 0.08416520323116 0.53121244259382 63.546 > 43 45 Cu 0.83333333333333 0.08416520323116 0.53121244259382 63.546 > 43 46 Cu 0.16666666666667 0.15452372756885 0.25000000000000 63.546 > 46 47 Cu 0.50000000000000 0.15452372756885 0.25000000000000 63.546 > 46 48 Cu 0.83333333333333 0.15452372756885 0.25000000000000 63.546 > 46 49 Cu 0.16666666666667 0.08416520323116 0.96878755740618 63.546 > 49 50 Cu 0.50000000000000 0.08416520323116 0.96878755740618 63.546 > 49 51 Cu 0.83333333333333 0.08416520323116 0.96878755740618 63.546 > 49 52 Cu 0.00000000000000 0.41583479676884 0.03121244259382 63.546 > 52 53 Cu 0.33333333333333 0.41583479676884 0.03121244259382 63.546 > 52 54 Cu 0.66666666666667 0.41583479676884 0.03121244259382 63.546 > 52 55 Cu 0.16666666666667 0.84547627243115 0.75000000000000 63.546 > 37 56 Cu 0.50000000000000 0.84547627243115 0.75000000000000 63.546 > 37 57 Cu 0.83333333333333 0.84547627243115 0.75000000000000 63.546 > 37 58 Cu 0.16666666666667 0.91583479676884 0.46878755740618 63.546 > 40 59 Cu 0.50000000000000 0.91583479676884 0.46878755740618 63.546 > 40 60 Cu 0.83333333333333 0.91583479676884 0.46878755740618 63.546 > 40 61 Cu 0.00000000000000 0.58416520323116 0.53121244259382 63.546 > 43 62 Cu 0.33333333333333 0.58416520323116 0.53121244259382 63.546 > 43 63 Cu 0.66666666666667 0.58416520323116 0.53121244259382 63.546 > 43 64 Cu 0.00000000000000 0.65452372756885 0.25000000000000 63.546 > 46 65 Cu 0.33333333333333 0.65452372756885 0.25000000000000 63.546 > 46 66 Cu 0.66666666666667 0.65452372756885 0.25000000000000 63.546 > 46 67 Cu 0.00000000000000 0.58416520323116 0.96878755740618 63.546 > 49 68 Cu 0.33333333333333 0.58416520323116 0.96878755740618 63.546 > 49 69 Cu 0.66666666666667 0.58416520323116 0.96878755740618 63.546 > 49 70 Cu 0.16666666666667 0.91583479676884 0.03121244259382 63.546 > 52 71 Cu 0.50000000000000 0.91583479676884 0.03121244259382 63.546 > 52 72 Cu 0.83333333333333 0.91583479676884 0.03121244259382 63.546 > 52 73 Se 0.16666666666667 0.25898174271457 0.75000000000000 78.960 > 73 74 Se 0.50000000000000 0.25898174271457 0.75000000000000 78.960 > 73 75 Se 0.83333333333333 0.25898174271457 0.75000000000000 78.960 > 73 76 Se 0.00000000000000 0.16942855550568 0.57059904221087 78.960 > 76 77 Se 0.33333333333333 0.16942855550568 0.57059904221087 78.960 > 76 78 Se 0.66666666666667 0.16942855550568 0.57059904221087 78.960 > 76 79 Se 0.00000000000000 0.24101825728543 0.25000000000000 78.960 > 79 80 Se 0.33333333333333 0.24101825728543 0.25000000000000 78.960 > 79 81 Se 0.66666666666667 0.24101825728543 0.25000000000000 78.960 > 79 82 Se 0.16666666666667 0.33057144449433 0.07059904221087 78.960 > 82 83 Se 0.50000000000000 0.33057144449433 0.07059904221087 78.960 > 82 84 Se 0.83333333333333 0.33057144449433 0.07059904221087 78.960 > 82 85 Se 0.16666666666667 0.33057144449433 0.42940095778913 78.960 > 85 86 Se 0.50000000000000 0.33057144449433 0.42940095778913 78.960 > 85 87 Se 0.83333333333333 0.33057144449433 0.42940095778913 78.960 > 85 88 Se 0.16666666666667 0.06176647410154 0.38590666901546 78.960 > 88 89 Se 0.50000000000000 0.06176647410154 0.38590666901546 78.960 > 88 90 Se 0.83333333333333 0.06176647410154 0.38590666901546 78.960 > 88 91 Se 0.00000000000000 0.43823352589846 0.61409333098454 78.960 > 91 92 Se 0.33333333333333 0.43823352589846 0.61409333098454 78.960 > 91 93 Se 0.66666666666667 0.43823352589846 0.61409333098454 78.960 > 91 94 Se 0.16666666666667 0.06176647410154 0.11409333098454 78.960 > 94 95 Se 0.50000000000000 0.06176647410154 0.11409333098454 78.960 > 94 96 Se 0.83333333333333 0.06176647410154 0.11409333098454 78.960 > 94 97 Se 0.00000000000000 0.43823352589846 0.88590666901546 78.960 > 97 98 Se 0.33333333333333 0.43823352589846 0.88590666901546 78.960 > 97 99 Se 0.66666666666667 0.43823352589846 0.88590666901546 78.960 > 97 100 Se 0.00000000000000 0.16942855550568 0.92940095778913 78.960 > 100 101 Se 0.33333333333333 0.16942855550568 0.92940095778913 78.960 > 100 102 Se 0.66666666666667 0.16942855550568 0.92940095778913 78.960 > 100 103 Se 0.00000000000000 0.75898174271457 0.75000000000000 78.960 > 73 104 Se 0.33333333333333 0.75898174271457 0.75000000000000 78.960 > 73 105 Se 0.66666666666667 0.75898174271457 0.75000000000000 78.960 > 73 106 Se 0.16666666666667 0.66942855550568 0.57059904221087 78.960 > 76 107 Se 0.50000000000000 0.66942855550568 0.57059904221087 78.960 > 76 108 Se 0.83333333333333 0.66942855550568 0.57059904221087 78.960 > 76 109 Se 0.16666666666667 0.74101825728543 0.25000000000000 78.960 > 79 110 Se 0.50000000000000 0.74101825728543 0.25000000000000 78.960 > 79 111 Se 0.83333333333333 0.74101825728543 0.25000000000000 78.960 > 79 112 Se 0.00000000000000 0.83057144449432 0.07059904221087 78.960 > 82 113 Se 0.33333333333333 0.83057144449432 0.07059904221087 78.960 > 82 114 Se 0.66666666666667 0.83057144449432 0.07059904221087 78.960 > 82 115 Se 0.00000000000000 0.83057144449432 0.42940095778913 78.960 > 85 116 Se 0.33333333333333 0.83057144449432 0.42940095778913 78.960 > 85 117 Se 0.66666666666667 0.83057144449432 0.42940095778913 78.960 > 85 118 Se 0.00000000000000 0.56176647410154 0.38590666901546 78.960 > 88 119 Se 0.33333333333333 0.56176647410154 0.38590666901546 78.960 > 88 120 Se 0.66666666666667 0.56176647410154 0.38590666901546 78.960 > 88 121 Se 0.16666666666667 0.93823352589846 0.61409333098454 78.960 > 91 122 Se 0.50000000000000 0.93823352589846 0.61409333098454 78.960 > 91 123 Se 0.83333333333333 0.93823352589846 0.61409333098454 78.960 > 91 124 Se 0.00000000000000 0.56176647410154 0.11409333098454 78.960 > 94 125 Se 0.33333333333333 0.56176647410154 0.11409333098454 78.960 > 94 126 Se 0.66666666666667 0.56176647410154 0.11409333098454 78.960 > 94 127 Se 0.16666666666667 0.93823352589846 0.88590666901546 78.960 > 97 128 Se 0.50000000000000 0.93823352589846 0.88590666901546 78.960 > 97 129 Se 0.83333333333333 0.93823352589846 0.88590666901546 78.960 > 97 130 Se 0.16666666666667 0.66942855550568 0.92940095778913 78.960 > 100 131 Se 0.50000000000000 0.66942855550568 0.92940095778913 78.960 > 100 132 Se 0.83333333333333 0.66942855550568 0.92940095778913 78.960 > 100 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.6099952 0.0000000 0.0000000 0.0000000 8.8281319 0.0000000 0.0000000 0.0000000 10.6538182 -------------------------- Born effective charges -------------------------- 1 Cs 1.0916804 0.0000000 0.0000000 0.0000000 1.6770090 0.0000000 0.0000000 0.0000000 1.7378205 2 Cs 1.0916804 0.0000000 0.0000000 0.0000000 1.6770090 0.0000000 0.0000000 0.0000000 1.7378205 3 Lu 4.5772212 0.0000000 0.0000000 0.0000000 3.1167942 -0.9856629 0.0000000 -0.0650538 4.2196018 4 Lu 4.5772212 0.0000000 0.0000000 0.0000000 3.1167942 0.9856629 0.0000000 0.0650538 4.2196018 5 Lu 4.5772212 0.0000000 0.0000000 0.0000000 3.1167942 -0.9856629 0.0000000 -0.0650538 4.2196018 6 Lu 4.5772212 0.0000000 0.0000000 0.0000000 3.1167942 0.9856629 0.0000000 0.0650538 4.2196018 7 Cu 0.7179095 0.0000000 0.0000000 0.0000000 0.5777111 0.0000000 0.0000000 0.0000000 1.4233906 8 Cu 1.0276969 0.0000000 0.0000000 0.0000000 0.9490398 -0.2357281 0.0000000 -0.2111777 0.9746390 9 Cu 1.0276969 0.0000000 0.0000000 0.0000000 0.9490398 -0.2357281 0.0000000 -0.2111777 0.9746390 10 Cu 0.7179095 0.0000000 0.0000000 0.0000000 0.5777111 0.0000000 0.0000000 0.0000000 1.4233906 11 Cu 1.0276969 0.0000000 0.0000000 0.0000000 0.9490398 0.2357281 0.0000000 0.2111777 0.9746390 12 Cu 1.0276969 0.0000000 0.0000000 0.0000000 0.9490398 0.2357281 0.0000000 0.2111777 0.9746390 13 Se -1.5551119 0.0000000 0.0000000 0.0000000 -1.7274597 0.0000000 0.0000000 0.0000000 -4.2657352 14 Se -3.2971155 0.0000000 0.0000000 0.0000000 -2.0696120 -0.2623882 0.0000000 -0.4048981 -2.1135936 15 Se -1.5551119 0.0000000 0.0000000 0.0000000 -1.7274597 0.0000000 0.0000000 0.0000000 -4.2657352 16 Se -3.2971155 0.0000000 0.0000000 0.0000000 -2.0696120 0.2623882 0.0000000 0.4048981 -2.1135936 17 Se -3.2971155 0.0000000 0.0000000 0.0000000 -2.0696120 -0.2623882 0.0000000 -0.4048981 -2.1135936 18 Se -2.4350416 0.0000000 0.0000000 0.0000000 -2.2598523 -0.0531086 0.0000000 0.4825949 -2.5283850 19 Se -2.4350416 0.0000000 0.0000000 0.0000000 -2.2598523 -0.0531086 0.0000000 0.4825949 -2.5283850 20 Se -2.4350416 0.0000000 0.0000000 0.0000000 -2.2598523 0.0531086 0.0000000 -0.4825949 -2.5283850 21 Se -2.4350416 0.0000000 0.0000000 0.0000000 -2.2598523 0.0531086 0.0000000 -0.4825949 -2.5283850 22 Se -3.2971155 0.0000000 0.0000000 0.0000000 -2.0696120 0.2623882 0.0000000 0.4048981 -2.1135936 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) 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 ... [ 13 13 3 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 293, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/98) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 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 0.906 ( 0.000 0.000 0.000) 0.000 0.932 ( 0.000 0.000 0.000) 0.000 1.058 ( 0.000 0.000 0.000) 0.000 1.151 ( 0.000 0.000 0.000) 0.000 1.157 ( 0.000 0.000 0.000) 0.000 1.312 ( 0.000 0.000 0.000) 0.000 1.558 ( 0.000 0.000 0.000) 0.000 1.586 ( 0.000 0.000 0.000) 0.000 1.629 ( 0.000 0.000 0.000) 0.000 1.660 ( 0.000 0.000 0.000) 0.000 1.710 ( 0.000 0.000 0.000) 0.000 1.971 ( 0.000 0.000 0.000) 0.000 1.983 ( 0.000 0.000 0.000) 0.000 2.083 ( 0.000 0.000 0.000) 0.000 2.193 ( 0.000 0.000 0.000) 0.000 2.196 ( 0.000 0.000 0.000) 0.000 2.349 ( 0.000 0.000 0.000) 0.000 2.353 ( 0.000 0.000 0.000) 0.000 2.366 ( 0.000 0.000 0.000) 0.000 2.388 ( 0.000 0.000 0.000) 0.000 2.390 ( 0.000 0.000 0.000) 0.000 2.420 ( 0.000 0.000 0.000) 0.000 2.452 ( 0.000 0.000 0.000) 0.000 2.616 ( 0.000 0.000 0.000) 0.000 2.647 ( 0.000 0.000 0.000) 0.000 2.929 ( 0.000 0.000 0.000) 0.000 2.934 ( 0.000 0.000 0.000) 0.000 2.995 ( 0.000 0.000 0.000) 0.000 3.090 ( 0.000 0.000 0.000) 0.000 3.252 ( 0.000 0.000 0.000) 0.000 3.310 ( 0.000 0.000 0.000) 0.000 3.439 ( 0.000 0.000 0.000) 0.000 3.511 ( 0.000 0.000 0.000) 0.000 3.962 ( 0.000 0.000 0.000) 0.000 3.962 ( 0.000 0.000 0.000) 0.000 3.977 ( 0.000 0.000 0.000) 0.000 4.003 ( 0.000 0.000 0.000) 0.000 4.560 ( 0.000 0.000 0.000) 0.000 4.617 ( 0.000 0.000 0.000) 0.000 4.631 ( 0.000 0.000 0.000) 0.000 4.687 ( 0.000 0.000 0.000) 0.000 4.703 ( 0.000 0.000 0.000) 0.000 4.802 ( 0.000 0.000 0.000) 0.000 5.032 ( 0.000 0.000 0.000) 0.000 5.101 ( 0.000 0.000 0.000) 0.000 5.125 ( 0.000 0.000 0.000) 0.000 5.267 ( 0.000 0.000 0.000) 0.000 5.325 ( 0.000 0.000 0.000) 0.000 5.336 ( 0.000 0.000 0.000) 0.000 5.346 ( 0.000 0.000 0.000) 0.000 5.362 ( 0.000 0.000 0.000) 0.000 5.417 ( 0.000 0.000 0.000) 0.000 5.421 ( 0.000 0.000 0.000) 0.000 5.434 ( 0.000 0.000 0.000) 0.000 5.476 ( 0.000 0.000 0.000) 0.000 5.482 ( 0.000 0.000 0.000) 0.000 5.555 ( 0.000 0.000 0.000) 0.000 5.615 ( 0.000 0.000 0.000) 0.000 5.780 ( 0.000 0.000 0.000) 0.000 5.862 ( 0.000 0.000 0.000) 0.000 6.228 ( 0.000 0.000 0.000) 0.000 6.880 ( 0.000 0.000 0.000) 0.000 6.883 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/98) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( 17.714 -5.880 0.000) 18.665 0.401 ( 21.326 1.444 0.000) 21.375 0.743 ( 34.580 -12.454 0.000) 36.755 0.935 ( 0.751 0.844 0.000) 1.129 0.984 ( 4.116 -1.245 0.000) 4.300 1.104 ( 5.538 1.046 0.000) 5.636 1.203 ( 3.791 -1.709 0.000) 4.158 1.253 ( 11.047 -4.110 0.000) 11.787 1.350 ( 5.328 4.303 0.000) 6.848 1.633 ( 1.256 0.219 0.000) 1.275 1.655 ( 8.270 -1.037 0.000) 8.335 1.661 ( 6.132 0.479 0.000) 6.150 1.739 ( 7.394 -4.179 0.000) 8.493 1.836 ( 11.202 -0.458 0.000) 11.211 1.976 ( 0.006 2.603 0.000) 2.603 2.031 ( 2.199 -2.030 0.000) 2.993 2.107 ( 2.237 0.144 0.000) 2.242 2.156 ( -3.099 0.838 0.000) 3.211 2.177 ( -1.103 -1.031 0.000) 1.509 2.328 ( -1.828 0.957 0.000) 2.064 2.372 ( 1.778 -0.403 0.000) 1.823 2.373 ( 2.426 -0.132 0.000) 2.430 2.393 ( 0.450 0.254 0.000) 0.517 2.441 ( 2.693 1.093 0.000) 2.906 2.461 ( 4.617 -2.197 0.000) 5.113 2.553 ( 5.798 2.223 0.000) 6.210 2.637 ( 2.064 -0.550 0.000) 2.136 2.673 ( 2.048 -1.196 0.000) 2.372 2.908 ( -1.810 -0.076 0.000) 1.811 2.933 ( -0.035 0.731 0.000) 0.732 2.980 ( -2.474 -2.328 0.000) 3.397 3.101 ( 0.441 -1.563 0.000) 1.624 3.260 ( 0.801 0.897 0.000) 1.203 3.322 ( 1.263 1.316 0.000) 1.824 3.411 ( -2.680 0.450 0.000) 2.717 3.477 ( -3.249 0.712 0.000) 3.326 4.019 ( 4.038 -0.357 0.000) 4.054 4.037 ( 6.732 -0.360 0.000) 6.741 4.041 ( 3.654 -0.347 0.000) 3.671 4.477 ( 2.741 13.988 0.000) 14.254 4.574 ( 1.344 0.457 0.000) 1.420 4.602 ( -1.358 0.520 0.000) 1.454 4.645 ( 1.601 1.132 0.000) 1.961 4.690 ( 0.240 -0.128 0.000) 0.272 4.705 ( 0.437 0.235 0.000) 0.496 4.819 ( -5.848 -10.613 0.000) 12.117 5.048 ( 1.026 -1.447 0.000) 1.774 5.097 ( -0.435 -0.364 0.000) 0.567 5.106 ( -1.239 -0.379 0.000) 1.295 5.263 ( 0.343 2.059 0.000) 2.088 5.329 ( -0.128 -1.704 0.000) 1.709 5.351 ( -0.278 1.134 0.000) 1.167 5.390 ( -2.887 0.001 0.000) 2.887 5.407 ( 4.237 1.070 0.000) 4.370 5.432 ( -0.295 -1.924 0.000) 1.947 5.440 ( 0.982 1.301 0.000) 1.630 5.470 ( 0.143 -2.471 0.000) 2.475 5.480 ( -0.224 -0.232 0.000) 0.322 5.552 ( 0.633 1.835 0.000) 1.941 5.599 ( -1.575 -0.424 0.000) 1.631 5.767 ( -0.725 -0.135 0.000) 0.738 5.864 ( 0.222 -0.268 0.000) 0.348 5.917 ( 1.744 2.738 0.000) 3.246 6.203 ( -2.101 0.910 0.000) 2.290 6.889 ( 0.448 0.032 0.000) 0.449 6.936 ( -0.491 1.628 0.000) 1.701 ======================= Grid point 2 (3/98) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 14.581 -4.551 0.000) 15.275 0.796 ( 21.190 3.455 0.000) 21.470 0.965 ( 3.499 0.746 0.000) 3.578 1.038 ( 2.066 -1.019 0.000) 2.304 1.256 ( 9.825 -0.520 0.000) 9.838 1.299 ( 5.849 -2.869 0.000) 6.515 1.431 ( 23.992 -9.030 0.000) 25.634 1.477 ( 15.382 3.910 0.000) 15.871 1.565 ( 16.720 -2.275 0.000) 16.874 1.657 ( 1.767 0.229 0.000) 1.781 1.759 ( 3.788 2.120 0.000) 4.341 1.853 ( 9.846 -0.237 0.000) 9.849 1.920 ( 6.662 2.654 0.000) 7.171 1.996 ( 4.819 -0.796 0.000) 4.885 2.039 ( 6.664 3.806 0.000) 7.674 2.093 ( -2.254 1.529 0.000) 2.724 2.149 ( 6.663 -6.521 0.000) 9.324 2.166 ( 7.274 -1.701 0.000) 7.471 2.189 ( 1.223 -2.401 0.000) 2.695 2.303 ( -1.088 -1.837 0.000) 2.135 2.405 ( 2.466 0.490 0.000) 2.514 2.437 ( 4.331 -2.156 0.000) 4.838 2.453 ( 5.772 1.754 0.000) 6.033 2.488 ( 4.541 -0.270 0.000) 4.549 2.585 ( 6.179 -1.392 0.000) 6.334 2.643 ( 3.983 2.769 0.000) 4.851 2.703 ( 4.520 -0.660 0.000) 4.568 2.730 ( 3.227 -1.368 0.000) 3.505 2.878 ( -1.245 -0.799 0.000) 1.479 2.903 ( -2.622 1.651 0.000) 3.099 2.974 ( 0.444 -4.248 0.000) 4.272 3.118 ( 0.927 -0.035 0.000) 0.928 3.256 ( -0.926 1.691 0.000) 1.928 3.324 ( -0.558 2.736 0.000) 2.793 3.336 ( -4.718 0.640 0.000) 4.762 3.387 ( -5.634 0.235 0.000) 5.639 4.120 ( 5.805 -0.785 0.000) 5.858 4.136 ( 5.695 -0.811 0.000) 5.753 4.184 ( 7.613 -0.453 0.000) 7.626 4.457 ( 0.353 4.033 0.000) 4.049 4.570 ( -1.516 -0.044 0.000) 1.517 4.605 ( 1.889 0.160 0.000) 1.896 4.674 ( 1.999 1.373 0.000) 2.425 4.696 ( 0.537 0.178 0.000) 0.565 4.720 ( 1.071 -0.206 0.000) 1.091 4.762 ( -3.199 -2.727 0.000) 4.203 5.077 ( 1.294 -0.686 0.000) 1.465 5.094 ( -0.024 -0.750 0.000) 0.750 5.101 ( 0.758 -0.092 0.000) 0.763 5.262 ( 0.784 2.647 0.000) 2.761 5.321 ( -3.717 -0.898 0.000) 3.824 5.326 ( -1.968 1.263 0.000) 2.338 5.339 ( 0.259 -1.242 0.000) 1.269 5.397 ( -1.664 1.914 0.000) 2.536 5.433 ( -0.595 -0.636 0.000) 0.871 5.475 ( -0.403 0.119 0.000) 0.420 5.488 ( 3.274 0.757 0.000) 3.360 5.531 ( 2.835 -2.808 0.000) 3.990 5.550 ( -0.039 1.422 0.000) 1.422 5.572 ( -0.980 -0.540 0.000) 1.118 5.779 ( 2.110 0.065 0.000) 2.111 5.878 ( 1.213 -0.258 0.000) 1.240 5.940 ( 1.827 1.906 0.000) 2.640 6.151 ( -2.326 1.339 0.000) 2.684 6.887 ( -0.915 0.155 0.000) 0.928 6.906 ( -1.994 0.795 0.000) 2.147 ======================= Grid point 3 (4/98) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 4.590 -0.596 0.000) 4.629 1.084 ( 3.589 -0.700 0.000) 3.657 1.125 ( 10.936 -2.572 0.000) 11.235 1.164 ( 19.553 5.683 0.000) 20.362 1.429 ( 5.739 -3.959 0.000) 6.972 1.460 ( 10.829 0.375 0.000) 10.836 1.621 ( 9.400 5.271 0.000) 10.777 1.691 ( 2.248 1.547 0.000) 2.729 1.792 ( 2.768 4.286 0.000) 5.102 1.839 ( 10.348 -0.109 0.000) 10.349 1.891 ( 7.054 0.775 0.000) 7.096 1.951 ( 0.801 4.216 0.000) 4.292 1.995 ( -0.678 6.060 0.000) 6.098 2.080 ( 13.272 -0.310 0.000) 13.275 2.096 ( 2.757 -2.150 0.000) 3.496 2.172 ( 5.294 -0.215 0.000) 5.299 2.207 ( -0.537 -0.462 0.000) 0.709 2.231 ( 3.715 -1.975 0.000) 4.207 2.296 ( -1.144 -3.020 0.000) 3.230 2.374 ( 8.537 -8.081 0.000) 11.755 2.523 ( 2.874 2.806 0.000) 4.016 2.542 ( 6.934 -0.972 0.000) 7.002 2.595 ( 11.848 -4.636 0.000) 12.723 2.663 ( 7.681 0.573 0.000) 7.702 2.688 ( 3.784 0.956 0.000) 3.902 2.709 ( 9.955 -2.362 0.000) 10.231 2.797 ( 3.319 -1.893 0.000) 3.821 2.806 ( 3.860 1.763 0.000) 4.244 2.850 ( 0.108 1.780 0.000) 1.783 2.896 ( 3.309 -3.145 0.000) 4.565 3.010 ( 0.195 -3.189 0.000) 3.195 3.138 ( 1.214 0.409 0.000) 1.281 3.195 ( -4.716 1.152 0.000) 4.854 3.238 ( -4.630 -0.413 0.000) 4.648 3.259 ( -4.801 0.051 0.000) 4.801 3.278 ( -5.162 0.620 0.000) 5.199 4.237 ( 5.607 -1.275 0.000) 5.750 4.257 ( 6.122 -1.084 0.000) 6.218 4.311 ( 5.164 -0.228 0.000) 5.169 4.448 ( 0.199 1.481 0.000) 1.495 4.552 ( -0.455 -0.568 0.000) 0.727 4.631 ( 0.377 -0.492 0.000) 0.619 4.705 ( 2.199 1.359 0.000) 2.585 4.713 ( 1.458 0.269 0.000) 1.483 4.743 ( 1.101 -0.357 0.000) 1.158 4.749 ( 0.920 -0.836 0.000) 1.243 5.102 ( 1.100 0.240 0.000) 1.126 5.108 ( 0.950 -0.792 0.000) 1.237 5.131 ( 2.214 0.275 0.000) 2.231 5.249 ( -1.308 0.469 0.000) 1.390 5.262 ( -3.412 1.142 0.000) 3.598 5.289 ( 0.497 0.933 0.000) 1.057 5.353 ( 0.830 0.250 0.000) 0.867 5.361 ( -1.127 2.192 0.000) 2.465 5.419 ( -1.034 0.399 0.000) 1.108 5.462 ( -0.713 1.002 0.000) 1.230 5.533 ( 1.837 0.965 0.000) 2.075 5.559 ( 2.522 0.370 0.000) 2.549 5.573 ( 0.335 -1.308 0.000) 1.350 5.579 ( 1.870 0.204 0.000) 1.881 5.835 ( 3.494 0.850 0.000) 3.595 5.917 ( 2.639 -0.350 0.000) 2.662 5.963 ( 1.483 1.482 0.000) 2.097 6.108 ( -1.346 1.489 0.000) 2.007 6.846 ( -3.440 0.289 0.000) 3.453 6.848 ( -3.773 0.446 0.000) 3.799 ======================= Grid point 4 (5/98) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 2.489 0.186 0.000) 2.496 1.143 ( 2.521 -0.781 0.000) 2.639 1.356 ( 10.480 -1.791 0.000) 10.632 1.464 ( 14.027 6.889 0.000) 15.627 1.545 ( 5.148 -1.200 0.000) 5.286 1.638 ( 7.551 2.286 0.000) 7.889 1.723 ( 2.241 2.279 0.000) 3.197 1.740 ( 5.355 2.631 0.000) 5.966 1.837 ( 2.948 7.691 0.000) 8.236 1.898 ( -2.332 1.910 0.000) 3.014 1.916 ( -0.724 8.632 0.000) 8.663 1.941 ( 2.194 0.999 0.000) 2.410 1.988 ( 5.678 2.969 0.000) 6.408 2.137 ( -1.096 -0.124 0.000) 1.103 2.154 ( 1.303 -2.290 0.000) 2.634 2.154 ( -3.004 1.597 0.000) 3.402 2.261 ( -0.135 0.140 0.000) 0.195 2.298 ( -0.194 -3.540 0.000) 3.545 2.366 ( 7.009 -1.479 0.000) 7.163 2.519 ( -1.330 2.708 0.000) 3.017 2.566 ( -1.927 -1.997 0.000) 2.775 2.635 ( 8.941 -5.511 0.000) 10.502 2.691 ( -1.335 1.337 0.000) 1.890 2.702 ( -2.209 -3.454 0.000) 4.100 2.858 ( 2.243 2.054 0.000) 3.042 2.869 ( 9.067 -2.702 0.000) 9.461 2.894 ( 4.831 0.262 0.000) 4.838 2.926 ( 5.677 0.658 0.000) 5.715 2.934 ( -0.823 1.405 0.000) 1.629 3.005 ( 0.607 -1.129 0.000) 1.281 3.018 ( 12.890 -0.810 0.000) 12.916 3.137 ( 1.594 -1.443 0.000) 2.150 3.166 ( 2.767 -2.019 0.000) 3.425 3.191 ( -0.750 -1.492 0.000) 1.669 3.212 ( 2.934 -4.256 0.000) 5.169 3.216 ( -0.576 -2.703 0.000) 2.764 4.339 ( 4.070 -1.073 0.000) 4.209 4.367 ( 4.441 -0.420 0.000) 4.461 4.381 ( 2.299 -0.504 0.000) 2.354 4.447 ( 0.285 0.348 0.000) 0.450 4.560 ( 0.905 -0.648 0.000) 1.113 4.631 ( -0.122 -0.308 0.000) 0.332 4.747 ( 1.902 0.130 0.000) 1.906 4.750 ( 2.725 0.459 0.000) 2.764 4.762 ( 0.731 -0.018 0.000) 0.732 4.778 ( 1.227 -0.196 0.000) 1.243 5.117 ( 0.818 0.724 0.000) 1.093 5.123 ( -0.012 0.824 0.000) 0.824 5.176 ( 2.577 0.422 0.000) 2.611 5.218 ( -0.212 -0.548 0.000) 0.587 5.234 ( 0.138 -0.026 0.000) 0.140 5.295 ( 0.259 0.981 0.000) 1.015 5.323 ( -1.772 1.974 0.000) 2.653 5.363 ( 0.693 1.904 0.000) 2.026 5.388 ( -1.526 2.114 0.000) 2.607 5.436 ( -1.188 1.856 0.000) 2.204 5.549 ( 0.422 0.638 0.000) 0.764 5.568 ( -0.972 -0.144 0.000) 0.983 5.657 ( 7.543 0.319 0.000) 7.550 5.669 ( 8.136 0.010 0.000) 8.136 5.886 ( 2.381 1.812 0.000) 2.992 5.970 ( 2.326 -0.280 0.000) 2.343 5.982 ( 1.156 0.586 0.000) 1.296 6.081 ( -0.689 1.524 0.000) 1.673 6.748 ( -6.334 0.426 0.000) 6.348 6.755 ( -6.155 0.158 0.000) 6.157 ======================= Grid point 5 (6/98) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 1.520 0.229 0.000) 1.537 1.187 ( 1.594 -0.586 0.000) 1.699 1.531 ( 7.074 -0.676 0.000) 7.106 1.543 ( -0.046 5.035 0.000) 5.035 1.669 ( 4.321 5.488 0.000) 6.985 1.696 ( 0.824 3.130 0.000) 3.237 1.749 ( 0.541 2.590 0.000) 2.646 1.766 ( 2.573 3.667 0.000) 4.479 1.848 ( 1.094 0.432 0.000) 1.177 1.860 ( 0.184 1.422 0.000) 1.434 1.901 ( 1.903 5.357 0.000) 5.685 1.977 ( 1.615 3.333 0.000) 3.703 2.057 ( 2.817 1.362 0.000) 3.129 2.099 ( -0.679 -0.452 0.000) 0.816 2.156 ( 3.902 2.725 0.000) 4.760 2.179 ( 0.768 -1.847 0.000) 2.000 2.248 ( -0.879 -0.011 0.000) 0.879 2.316 ( -0.549 -2.267 0.000) 2.333 2.429 ( -0.380 -1.898 0.000) 1.936 2.479 ( -0.504 1.395 0.000) 1.483 2.507 ( -5.200 -3.665 0.000) 6.362 2.639 ( -2.728 1.728 0.000) 3.230 2.684 ( -0.927 -1.051 0.000) 1.401 2.751 ( 1.270 -0.317 0.000) 1.309 2.807 ( -6.103 2.247 0.000) 6.504 2.843 ( -4.014 -1.126 0.000) 4.169 2.856 ( -2.318 -0.267 0.000) 2.334 2.892 ( -2.770 -0.360 0.000) 2.794 3.003 ( 3.588 -0.222 0.000) 3.594 3.153 ( 2.658 -0.154 0.000) 2.662 3.154 ( 4.795 -2.026 0.000) 5.205 3.164 ( -1.256 -1.365 0.000) 1.855 3.305 ( 8.554 -2.924 0.000) 9.040 3.306 ( 10.561 -1.816 0.000) 10.716 3.368 ( 10.686 -3.190 0.000) 11.152 3.376 ( 9.074 -2.243 0.000) 9.347 4.379 ( 0.275 0.714 0.000) 0.765 4.407 ( 0.243 1.348 0.000) 1.370 4.435 ( 2.481 -2.073 0.000) 3.234 4.472 ( 1.888 -1.266 0.000) 2.274 4.592 ( 1.919 -0.916 0.000) 2.126 4.640 ( 0.815 -0.602 0.000) 1.014 4.766 ( 0.055 0.279 0.000) 0.284 4.781 ( 1.449 0.290 0.000) 1.478 4.782 ( -0.093 0.238 0.000) 0.255 4.799 ( 1.714 0.081 0.000) 1.716 5.111 ( 0.200 1.336 0.000) 1.351 5.126 ( 0.487 0.843 0.000) 0.974 5.225 ( 2.087 -0.764 0.000) 2.222 5.239 ( 0.860 -0.005 0.000) 0.860 5.251 ( 1.103 -0.252 0.000) 1.132 5.277 ( -1.327 1.529 0.000) 2.024 5.287 ( -0.086 1.449 0.000) 1.452 5.341 ( -1.843 2.545 0.000) 3.142 5.361 ( 0.143 1.445 0.000) 1.452 5.402 ( -1.190 1.604 0.000) 1.997 5.543 ( -0.902 -0.217 0.000) 0.928 5.554 ( -0.105 0.589 0.000) 0.599 5.833 ( 9.394 0.276 0.000) 9.398 5.869 ( 12.020 0.452 0.000) 12.028 5.911 ( 2.383 1.883 0.000) 3.038 5.998 ( 0.531 0.241 0.000) 0.583 6.004 ( 1.570 -0.404 0.000) 1.621 6.066 ( -0.243 1.006 0.000) 1.035 6.599 ( -8.978 0.404 0.000) 8.987 6.610 ( -8.933 0.046 0.000) 8.933 ======================= Grid point 6 (7/98) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 0.506 0.106 0.000) 0.517 1.209 ( 0.527 -0.241 0.000) 0.580 1.485 ( -1.632 3.461 0.000) 3.827 1.631 ( 2.927 -0.323 0.000) 2.944 1.674 ( -0.912 1.274 0.000) 1.567 1.685 ( 1.094 1.057 0.000) 1.521 1.729 ( -0.487 1.621 0.000) 1.692 1.801 ( 0.133 2.373 0.000) 2.376 1.826 ( -0.771 0.927 0.000) 1.206 1.869 ( 0.521 0.359 0.000) 0.633 1.909 ( 0.215 -1.364 0.000) 1.381 2.009 ( 2.412 3.321 0.000) 4.105 2.083 ( 0.592 0.374 0.000) 0.701 2.113 ( 1.337 0.113 0.000) 1.342 2.217 ( 2.311 -1.177 0.000) 2.594 2.217 ( 1.718 1.723 0.000) 2.433 2.245 ( 1.166 0.090 0.000) 1.169 2.281 ( -2.955 0.392 0.000) 2.981 2.419 ( -0.784 -1.169 0.000) 1.408 2.430 ( -3.591 -2.576 0.000) 4.420 2.499 ( 1.691 -0.865 0.000) 1.899 2.583 ( -1.795 1.562 0.000) 2.380 2.657 ( -1.583 0.150 0.000) 1.590 2.711 ( -2.246 0.427 0.000) 2.286 2.713 ( -2.469 0.359 0.000) 2.495 2.816 ( -1.465 -0.057 0.000) 1.466 2.829 ( 0.264 -0.823 0.000) 0.864 2.870 ( -0.273 -0.587 0.000) 0.647 3.065 ( 2.609 0.153 0.000) 2.614 3.132 ( -2.015 -0.831 0.000) 2.180 3.191 ( 1.034 -0.335 0.000) 1.087 3.209 ( 0.985 -0.845 0.000) 1.298 3.452 ( 3.830 -0.246 0.000) 3.838 3.455 ( 4.198 -0.789 0.000) 4.272 3.516 ( 3.859 -0.666 0.000) 3.916 3.535 ( 4.495 -1.290 0.000) 4.677 4.371 ( -0.298 0.353 0.000) 0.461 4.396 ( -0.341 0.592 0.000) 0.683 4.478 ( 0.995 -0.941 0.000) 1.370 4.504 ( 0.789 -0.487 0.000) 0.928 4.631 ( 1.197 -0.624 0.000) 1.350 4.661 ( 0.751 -0.554 0.000) 0.933 4.760 ( -0.291 0.366 0.000) 0.467 4.769 ( -0.575 0.465 0.000) 0.740 4.801 ( 0.606 0.096 0.000) 0.613 4.826 ( 0.793 -0.220 0.000) 0.823 5.125 ( 0.285 0.477 0.000) 0.556 5.125 ( 1.116 0.322 0.000) 1.161 5.201 ( -2.284 0.694 0.000) 2.387 5.260 ( -0.035 0.186 0.000) 0.190 5.264 ( 1.070 0.060 0.000) 1.072 5.283 ( 0.754 -0.110 0.000) 0.762 5.291 ( 0.693 0.520 0.000) 0.866 5.302 ( -0.899 1.069 0.000) 1.397 5.356 ( -0.092 0.377 0.000) 0.388 5.379 ( -0.454 0.529 0.000) 0.697 5.530 ( -0.399 -0.027 0.000) 0.400 5.551 ( -0.038 0.123 0.000) 0.129 5.892 ( 0.330 0.674 0.000) 0.750 5.969 ( 1.212 0.482 0.000) 1.304 5.997 ( -0.140 0.298 0.000) 0.329 6.060 ( -0.085 0.268 0.000) 0.281 6.106 ( 10.891 -0.095 0.000) 10.891 6.117 ( 9.242 -0.295 0.000) 9.247 6.410 ( -9.505 0.314 0.000) 9.510 6.426 ( -9.131 -0.022 0.000) 9.131 ======================= Grid point 14 (8/98) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 15.846 0.000 0.000) 15.846 0.821 ( 21.577 0.000 0.000) 21.577 0.970 ( 3.110 0.000 0.000) 3.110 1.032 ( 2.113 0.000 0.000) 2.113 1.254 ( 9.876 0.000 0.000) 9.876 1.285 ( 5.183 0.000 0.000) 5.183 1.368 ( 30.845 0.000 0.000) 30.845 1.509 ( 10.837 0.000 0.000) 10.837 1.552 ( 17.896 0.000 0.000) 17.896 1.658 ( 1.977 0.000 0.000) 1.977 1.772 ( 4.534 0.000 0.000) 4.534 1.852 ( 10.329 0.000 0.000) 10.329 1.925 ( 10.505 0.000 0.000) 10.505 1.999 ( 2.325 0.000 0.000) 2.325 2.081 ( 3.297 0.000 0.000) 3.297 2.090 ( 11.904 0.000 0.000) 11.904 2.101 ( -2.633 -0.000 0.000) 2.633 2.161 ( 4.742 0.000 0.000) 4.742 2.173 ( 1.750 0.000 0.000) 1.750 2.293 ( -1.555 -0.000 0.000) 1.555 2.411 ( 2.144 0.000 0.000) 2.144 2.423 ( 3.955 0.000 0.000) 3.955 2.462 ( 7.227 0.000 0.000) 7.227 2.488 ( 2.935 0.000 0.000) 2.935 2.577 ( 6.717 0.000 0.000) 6.717 2.661 ( 4.075 0.000 0.000) 4.075 2.698 ( 4.178 0.000 0.000) 4.178 2.722 ( 3.519 0.000 0.000) 3.519 2.874 ( -1.462 -0.000 0.000) 1.462 2.916 ( -3.477 -0.000 0.000) 3.477 2.944 ( 1.151 0.000 0.000) 1.151 3.118 ( 1.398 0.000 0.000) 1.398 3.266 ( -1.090 -0.000 0.000) 1.090 3.340 ( -0.598 -0.000 0.000) 0.598 3.340 ( -4.832 -0.000 0.000) 4.832 3.387 ( -6.159 -0.000 0.000) 6.159 4.116 ( 5.767 0.000 0.000) 5.767 4.131 ( 5.665 0.000 0.000) 5.665 4.181 ( 7.702 0.000 0.000) 7.702 4.480 ( -1.645 -0.000 0.000) 1.645 4.570 ( -1.751 -0.000 0.000) 1.751 4.604 ( 1.683 0.000 0.000) 1.683 4.689 ( 2.077 0.000 0.000) 2.077 4.697 ( 0.584 0.000 0.000) 0.584 4.719 ( 0.996 0.000 0.000) 0.996 4.740 ( -1.946 -0.000 0.000) 1.946 5.074 ( 1.693 0.000 0.000) 1.693 5.090 ( 0.007 0.000 0.000) 0.007 5.101 ( 0.862 0.000 0.000) 0.862 5.281 ( 0.845 0.000 0.000) 0.845 5.310 ( -3.221 -0.000 0.000) 3.221 5.333 ( -2.204 -0.000 0.000) 2.204 5.334 ( -0.229 -0.000 0.000) 0.229 5.409 ( -1.164 -0.000 0.000) 1.164 5.429 ( -0.954 -0.000 0.000) 0.954 5.475 ( -0.233 -0.000 0.000) 0.233 5.497 ( 2.950 0.000 0.000) 2.950 5.510 ( 3.926 0.000 0.000) 3.926 5.564 ( -1.544 -0.000 0.000) 1.544 5.564 ( 0.361 0.000 0.000) 0.361 5.779 ( 2.256 0.000 0.000) 2.256 5.877 ( 1.253 0.000 0.000) 1.253 5.951 ( 1.473 0.000 0.000) 1.473 6.159 ( -2.437 -0.000 0.000) 2.437 6.888 ( -0.903 -0.000 0.000) 0.903 6.911 ( -2.222 -0.000 0.000) 2.222 ======================= Grid point 15 (9/98) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 5.657 -0.304 0.000) 5.666 1.080 ( 3.041 -0.153 0.000) 3.045 1.107 ( 11.336 -0.903 0.000) 11.372 1.213 ( 19.854 2.739 0.000) 20.042 1.400 ( 6.299 -1.377 0.000) 6.448 1.465 ( 11.462 0.275 0.000) 11.466 1.662 ( 8.671 2.098 0.000) 8.921 1.702 ( 2.538 0.499 0.000) 2.587 1.799 ( 4.981 -0.979 0.000) 5.076 1.835 ( 9.799 -0.364 0.000) 9.806 1.935 ( 11.062 5.486 0.000) 12.348 1.994 ( 4.188 2.991 0.000) 5.146 2.005 ( 3.973 -3.240 0.000) 5.126 2.074 ( 0.722 -1.723 0.000) 1.868 2.111 ( 4.477 5.649 0.000) 7.208 2.170 ( 4.840 -0.603 0.000) 4.878 2.182 ( 5.524 -4.414 0.000) 7.071 2.222 ( 4.703 0.389 0.000) 4.719 2.270 ( -1.358 -1.418 0.000) 1.963 2.313 ( 4.619 -2.933 0.000) 5.471 2.532 ( 6.333 -0.666 0.000) 6.368 2.545 ( 2.356 1.151 0.000) 2.623 2.559 ( 12.098 -1.788 0.000) 12.230 2.662 ( 10.877 -0.350 0.000) 10.883 2.695 ( 7.262 -0.418 0.000) 7.274 2.703 ( 2.423 1.229 0.000) 2.717 2.778 ( 3.238 -1.220 0.000) 3.460 2.826 ( 7.029 1.760 0.000) 7.246 2.865 ( 1.771 -2.218 0.000) 2.838 2.866 ( 0.253 1.025 0.000) 1.056 2.982 ( 1.627 -1.602 0.000) 2.283 3.141 ( 0.678 0.146 0.000) 0.693 3.203 ( -5.274 0.412 0.000) 5.290 3.235 ( -5.711 -0.185 0.000) 5.714 3.258 ( -6.376 -0.085 0.000) 6.377 3.283 ( -5.259 0.245 0.000) 5.265 4.227 ( 5.558 -0.475 0.000) 5.579 4.249 ( 6.222 -0.410 0.000) 6.236 4.310 ( 5.314 -0.064 0.000) 5.314 4.459 ( -0.468 0.533 0.000) 0.710 4.548 ( -0.435 -0.199 0.000) 0.478 4.627 ( 0.489 -0.211 0.000) 0.532 4.715 ( 1.362 0.038 0.000) 1.362 4.720 ( 1.428 1.361 0.000) 1.973 4.738 ( 1.703 -1.135 0.000) 2.047 4.741 ( 1.194 -0.090 0.000) 1.197 5.102 ( 1.214 -0.278 0.000) 1.245 5.104 ( 1.367 0.105 0.000) 1.371 5.133 ( 2.360 0.121 0.000) 2.363 5.252 ( -1.977 0.098 0.000) 1.979 5.271 ( -3.724 0.425 0.000) 3.748 5.296 ( 0.677 0.393 0.000) 0.783 5.355 ( 1.773 0.104 0.000) 1.776 5.379 ( -1.637 0.923 0.000) 1.880 5.420 ( -0.295 -0.012 0.000) 0.295 5.469 ( -0.446 0.344 0.000) 0.563 5.543 ( 1.859 0.835 0.000) 2.038 5.561 ( 0.961 -0.972 0.000) 1.367 5.563 ( 2.302 0.188 0.000) 2.310 5.580 ( 1.868 0.053 0.000) 1.869 5.840 ( 3.749 0.255 0.000) 3.758 5.915 ( 2.631 -0.123 0.000) 2.634 5.974 ( 1.103 0.599 0.000) 1.255 6.119 ( -1.460 0.541 0.000) 1.557 6.848 ( -3.345 0.082 0.000) 3.346 6.851 ( -4.012 0.199 0.000) 4.017 ======================= Grid point 16 (10/98) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 2.557 0.114 0.000) 2.559 1.136 ( 2.652 -0.444 0.000) 2.689 1.342 ( 11.234 -0.911 0.000) 11.271 1.520 ( 8.156 1.854 0.000) 8.364 1.539 ( 12.339 1.569 0.000) 12.438 1.660 ( 8.513 1.529 0.000) 8.649 1.741 ( 1.860 1.095 0.000) 2.158 1.757 ( 3.029 0.452 0.000) 3.062 1.900 ( 4.826 3.531 0.000) 5.980 1.902 ( -1.550 -0.352 0.000) 1.590 1.968 ( 1.862 4.663 0.000) 5.021 2.009 ( -0.791 7.563 0.000) 7.604 2.035 ( 3.978 4.744 0.000) 6.191 2.120 ( -0.877 -3.031 0.000) 3.155 2.132 ( 2.371 -1.777 0.000) 2.963 2.160 ( -3.834 -0.588 0.000) 3.879 2.261 ( -0.523 -3.177 0.000) 3.220 2.263 ( 0.345 0.278 0.000) 0.443 2.366 ( 6.412 1.340 0.000) 6.550 2.529 ( 2.242 -4.488 0.000) 5.017 2.543 ( -1.535 1.649 0.000) 2.253 2.585 ( 6.847 -3.264 0.000) 7.585 2.667 ( -1.299 -2.697 0.000) 2.993 2.699 ( -1.568 0.320 0.000) 1.600 2.849 ( 9.911 -1.183 0.000) 9.981 2.873 ( 1.106 0.668 0.000) 1.292 2.897 ( 5.447 0.231 0.000) 5.452 2.942 ( 6.514 1.951 0.000) 6.800 2.959 ( 3.860 2.965 0.000) 4.867 2.995 ( 0.431 -0.671 0.000) 0.797 3.009 ( 11.944 -1.120 0.000) 11.996 3.126 ( 0.911 -0.384 0.000) 0.989 3.140 ( 0.825 -2.460 0.000) 2.595 3.168 ( 1.604 -3.705 0.000) 4.037 3.179 ( -2.530 -1.072 0.000) 2.747 3.197 ( -0.416 -0.913 0.000) 1.003 4.328 ( 4.435 -0.880 0.000) 4.521 4.361 ( 5.003 -0.438 0.000) 5.022 4.379 ( 2.027 -0.035 0.000) 2.027 4.450 ( -0.347 0.274 0.000) 0.442 4.555 ( 1.028 -0.202 0.000) 1.047 4.630 ( 0.055 -0.002 0.000) 0.055 4.747 ( 1.785 -0.041 0.000) 1.785 4.754 ( 2.218 0.231 0.000) 2.230 4.763 ( 0.992 0.046 0.000) 0.993 4.777 ( 1.629 -0.071 0.000) 1.631 5.124 ( 0.927 0.467 0.000) 1.038 5.132 ( 1.482 0.737 0.000) 1.656 5.179 ( 1.856 0.188 0.000) 1.866 5.212 ( -1.076 -0.393 0.000) 1.146 5.234 ( 0.076 0.015 0.000) 0.077 5.301 ( 0.047 0.298 0.000) 0.302 5.337 ( -2.174 0.813 0.000) 2.321 5.381 ( 0.829 1.197 0.000) 1.455 5.406 ( -1.034 1.230 0.000) 1.607 5.451 ( -1.105 1.012 0.000) 1.499 5.555 ( -0.264 0.395 0.000) 0.475 5.567 ( -0.197 -0.043 0.000) 0.202 5.660 ( 7.335 0.267 0.000) 7.340 5.668 ( 8.315 -0.083 0.000) 8.316 5.902 ( 2.693 1.017 0.000) 2.879 5.968 ( 2.496 -0.145 0.000) 2.500 5.987 ( 0.577 0.368 0.000) 0.685 6.094 ( -0.872 0.855 0.000) 1.221 6.751 ( -6.377 0.264 0.000) 6.383 6.757 ( -6.218 0.077 0.000) 6.218 ======================= Grid point 17 (11/98) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 1.497 0.181 0.000) 1.507 1.181 ( 1.745 -0.399 0.000) 1.790 1.526 ( 7.500 -0.344 0.000) 7.508 1.587 ( 1.271 3.177 0.000) 3.422 1.719 ( 5.470 3.473 0.000) 6.479 1.729 ( 0.317 2.907 0.000) 2.925 1.771 ( 1.036 1.582 0.000) 1.891 1.796 ( 0.427 0.826 0.000) 0.929 1.856 ( -1.839 3.351 0.000) 3.822 1.864 ( -1.251 -0.530 0.000) 1.359 1.967 ( -1.491 6.077 0.000) 6.257 2.010 ( 1.787 1.733 0.000) 2.490 2.078 ( 2.020 1.995 0.000) 2.839 2.093 ( -0.488 -0.388 0.000) 0.624 2.169 ( 1.764 0.237 0.000) 1.780 2.175 ( 4.988 0.649 0.000) 5.030 2.250 ( -1.033 0.434 0.000) 1.121 2.287 ( 0.794 -3.035 0.000) 3.138 2.416 ( -0.254 -0.531 0.000) 0.589 2.461 ( -5.875 -4.310 0.000) 7.286 2.493 ( -1.941 1.226 0.000) 2.295 2.648 ( -3.139 0.114 0.000) 3.141 2.670 ( 0.323 -1.362 0.000) 1.400 2.742 ( 3.990 -1.392 0.000) 4.226 2.834 ( -6.734 2.206 0.000) 7.086 2.843 ( -4.952 0.967 0.000) 5.046 2.856 ( -2.597 0.409 0.000) 2.629 2.888 ( -3.919 -0.354 0.000) 3.935 3.002 ( 3.643 0.030 0.000) 3.643 3.134 ( 4.385 -1.658 0.000) 4.689 3.146 ( 1.824 -0.967 0.000) 2.064 3.149 ( -0.101 -1.345 0.000) 1.349 3.279 ( 9.757 -1.881 0.000) 9.937 3.292 ( 12.323 -0.662 0.000) 12.341 3.337 ( 11.258 -2.414 0.000) 11.514 3.353 ( 10.042 -1.983 0.000) 10.236 4.385 ( 0.307 0.482 0.000) 0.572 4.415 ( 2.628 -1.612 0.000) 3.083 4.420 ( 0.174 1.079 0.000) 1.093 4.458 ( 1.917 -1.303 0.000) 2.318 4.587 ( 2.090 -0.160 0.000) 2.096 4.638 ( 0.904 0.102 0.000) 0.909 4.770 ( 0.395 0.392 0.000) 0.556 4.782 ( 1.176 -0.125 0.000) 1.183 4.784 ( 0.501 0.180 0.000) 0.532 4.799 ( 1.092 -0.019 0.000) 1.092 5.129 ( -0.120 1.930 0.000) 1.933 5.134 ( 0.434 0.674 0.000) 0.801 5.209 ( 1.200 -1.961 0.000) 2.299 5.243 ( 2.236 0.392 0.000) 2.270 5.248 ( 0.991 -0.253 0.000) 1.023 5.289 ( -2.104 0.816 0.000) 2.256 5.299 ( 0.088 0.727 0.000) 0.732 5.366 ( -2.197 1.910 0.000) 2.911 5.374 ( -0.623 0.964 0.000) 1.148 5.417 ( -1.621 1.252 0.000) 2.048 5.540 ( -0.875 -0.201 0.000) 0.898 5.560 ( -0.312 0.501 0.000) 0.590 5.835 ( 9.532 0.197 0.000) 9.534 5.872 ( 12.280 0.126 0.000) 12.280 5.932 ( 2.118 1.912 0.000) 2.853 5.998 ( 0.898 -0.612 0.000) 1.086 6.000 ( 0.761 0.150 0.000) 0.775 6.075 ( -0.652 0.759 0.000) 1.001 6.603 ( -8.979 0.345 0.000) 8.986 6.610 ( -9.016 -0.019 0.000) 9.016 ======================= Grid point 18 (12/98) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 0.416 0.121 0.000) 0.433 1.207 ( 0.737 -0.230 0.000) 0.772 1.534 ( -3.435 5.265 0.000) 6.286 1.628 ( 2.890 -0.281 0.000) 2.903 1.692 ( -1.812 1.913 0.000) 2.635 1.702 ( -1.025 2.410 0.000) 2.619 1.747 ( -1.590 1.774 0.000) 2.382 1.816 ( 0.775 0.379 0.000) 0.863 1.844 ( -2.976 2.046 0.000) 3.611 1.861 ( -0.517 -1.803 0.000) 1.876 1.896 ( 0.279 -0.706 0.000) 0.759 1.999 ( -3.389 -4.566 0.000) 5.686 2.090 ( 0.286 0.786 0.000) 0.837 2.131 ( 1.795 2.303 0.000) 2.920 2.212 ( 2.805 0.302 0.000) 2.822 2.230 ( -0.540 0.583 0.000) 0.795 2.246 ( 1.462 0.141 0.000) 1.469 2.286 ( -1.808 0.345 0.000) 1.841 2.406 ( -0.482 -1.583 0.000) 1.655 2.415 ( 0.854 0.341 0.000) 0.920 2.485 ( 0.956 -1.492 0.000) 1.772 2.589 ( -2.832 -0.139 0.000) 2.836 2.649 ( -2.576 -1.153 0.000) 2.822 2.728 ( -2.328 2.280 0.000) 3.259 2.732 ( -1.457 2.840 0.000) 3.192 2.812 ( -1.678 -0.685 0.000) 1.812 2.817 ( 0.896 -1.171 0.000) 1.475 2.863 ( 0.268 -0.923 0.000) 0.961 3.068 ( 2.909 0.344 0.000) 2.929 3.122 ( -1.604 -0.995 0.000) 1.888 3.185 ( 1.271 -0.699 0.000) 1.451 3.201 ( 1.855 -0.671 0.000) 1.972 3.451 ( 5.410 0.069 0.000) 5.411 3.454 ( 4.453 0.646 0.000) 4.499 3.507 ( 4.447 -1.054 0.000) 4.570 3.517 ( 5.473 -1.855 0.000) 5.779 4.373 ( -0.758 0.029 0.000) 0.759 4.401 ( -1.037 0.274 0.000) 1.073 4.468 ( 1.891 -0.872 0.000) 2.082 4.498 ( 1.276 -0.585 0.000) 1.404 4.629 ( 1.960 0.232 0.000) 1.973 4.661 ( 1.410 0.340 0.000) 1.450 4.765 ( -0.489 0.512 0.000) 0.708 4.775 ( -0.734 0.720 0.000) 1.028 4.799 ( 0.327 -0.410 0.000) 0.524 4.820 ( 0.611 -0.814 0.000) 1.017 5.130 ( 0.856 0.600 0.000) 1.045 5.131 ( -0.441 0.477 0.000) 0.650 5.204 ( -2.302 -0.179 0.000) 2.309 5.260 ( -0.057 -0.128 0.000) 0.140 5.264 ( 0.566 -0.079 0.000) 0.572 5.283 ( 0.945 0.089 0.000) 0.949 5.299 ( 0.344 0.976 0.000) 1.035 5.314 ( -1.958 1.057 0.000) 2.225 5.356 ( -0.843 -0.269 0.000) 0.885 5.385 ( -1.089 0.475 0.000) 1.189 5.528 ( -0.392 -0.152 0.000) 0.421 5.553 ( -0.178 0.204 0.000) 0.271 5.899 ( -0.217 0.605 0.000) 0.643 5.975 ( 0.494 0.526 0.000) 0.722 6.000 ( -0.378 0.234 0.000) 0.444 6.063 ( -0.379 0.289 0.000) 0.476 6.105 ( 10.782 -0.059 0.000) 10.782 6.114 ( 9.743 -0.306 0.000) 9.748 6.414 ( -9.668 0.291 0.000) 9.672 6.426 ( -9.110 -0.046 0.000) 9.110 ======================= Grid point 19 (13/98) ======================= q-point: (-0.54 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -0.606 -0.061 0.000) 0.609 1.212 ( -0.264 0.188 0.000) 0.324 1.465 ( -1.308 -0.157 0.000) 1.318 1.633 ( -2.446 -0.020 0.000) 2.447 1.667 ( -0.450 -0.150 0.000) 0.474 1.674 ( -2.597 -1.193 0.000) 2.858 1.714 ( -1.022 -1.012 0.000) 1.438 1.778 ( -1.704 -1.526 0.000) 2.287 1.816 ( -1.847 -1.419 0.000) 2.329 1.853 ( -1.526 -2.472 0.000) 2.905 1.921 ( 1.092 0.862 0.000) 1.391 1.947 ( -4.581 -6.840 0.000) 8.233 2.084 ( -0.696 0.434 0.000) 0.820 2.120 ( -0.943 0.780 0.000) 1.224 2.197 ( -4.046 -1.801 0.000) 4.429 2.235 ( -1.378 1.999 0.000) 2.428 2.242 ( -0.664 -0.431 0.000) 0.792 2.279 ( 3.358 0.072 0.000) 3.359 2.437 ( 1.810 1.842 0.000) 2.582 2.455 ( 4.628 1.900 0.000) 5.003 2.502 ( -1.423 -0.242 0.000) 1.444 2.558 ( 0.112 -2.808 0.000) 2.810 2.646 ( 1.756 -1.188 0.000) 2.120 2.720 ( 2.306 1.479 0.000) 2.740 2.724 ( 1.993 2.239 0.000) 2.997 2.814 ( 1.462 -0.543 0.000) 1.560 2.832 ( 0.448 -0.198 0.000) 0.490 2.878 ( 0.948 0.809 0.000) 1.246 3.065 ( -2.489 -0.004 0.000) 2.489 3.140 ( 2.557 0.544 0.000) 2.614 3.192 ( -0.890 -0.106 0.000) 0.897 3.219 ( -0.119 0.825 0.000) 0.834 3.459 ( -3.263 1.064 0.000) 3.432 3.468 ( -3.086 1.499 0.000) 3.431 3.520 ( -3.196 0.178 0.000) 3.201 3.544 ( -3.257 0.387 0.000) 3.280 4.366 ( -0.142 -0.654 0.000) 0.669 4.388 ( -0.347 -0.827 0.000) 0.897 4.488 ( -0.056 0.770 0.000) 0.772 4.508 ( -0.349 0.247 0.000) 0.427 4.643 ( -0.266 1.659 0.000) 1.680 4.673 ( 0.103 1.651 0.000) 1.655 4.757 ( 0.011 -0.230 0.000) 0.231 4.765 ( 0.231 -0.162 0.000) 0.282 4.797 ( -0.871 -0.673 0.000) 1.100 4.824 ( -0.777 -0.599 0.000) 0.981 5.120 ( -0.469 -0.482 0.000) 0.673 5.125 ( -1.688 0.134 0.000) 1.694 5.190 ( 1.334 -1.326 0.000) 1.881 5.255 ( -0.418 -0.643 0.000) 0.767 5.261 ( -1.197 -0.562 0.000) 1.322 5.286 ( -0.679 0.436 0.000) 0.806 5.289 ( -1.072 0.263 0.000) 1.104 5.292 ( -0.071 -0.768 0.000) 0.772 5.349 ( -0.392 -0.909 0.000) 0.990 5.373 ( -0.140 -0.551 0.000) 0.569 5.529 ( 0.376 -0.136 0.000) 0.400 5.550 ( -0.044 0.037 0.000) 0.057 5.886 ( -0.990 -0.562 0.000) 1.138 5.965 ( -1.828 -0.327 0.000) 1.858 5.994 ( -0.140 -0.298 0.000) 0.330 6.057 ( -0.209 -0.174 0.000) 0.272 6.107 ( -10.935 0.099 0.000) 10.935 6.120 ( -8.872 0.232 0.000) 8.875 6.407 ( 9.374 -0.275 0.000) 9.378 6.426 ( 9.113 0.004 0.000) 9.113 ======================= Grid point 20 (14/98) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -1.552 -0.211 0.000) 1.566 1.193 ( -1.395 0.661 0.000) 1.544 1.483 ( 0.057 -5.783 0.000) 5.784 1.541 ( -6.472 1.101 0.000) 6.565 1.608 ( -6.465 -5.886 0.000) 8.743 1.663 ( -1.461 -2.861 0.000) 3.213 1.718 ( -0.644 -3.025 0.000) 3.093 1.726 ( -4.651 -3.693 0.000) 5.939 1.810 ( -0.742 -5.583 0.000) 5.632 1.833 ( -1.609 -3.383 0.000) 3.746 1.875 ( -4.612 -0.402 0.000) 4.629 1.956 ( 1.160 -0.423 0.000) 1.234 2.053 ( -2.484 0.419 0.000) 2.519 2.099 ( -2.068 -0.793 0.000) 2.215 2.124 ( -1.775 -2.702 0.000) 3.233 2.205 ( -0.236 2.953 0.000) 2.963 2.248 ( 0.645 -0.159 0.000) 0.664 2.336 ( 1.921 1.457 0.000) 2.410 2.454 ( 0.519 2.453 0.000) 2.507 2.464 ( -1.208 -1.421 0.000) 1.865 2.534 ( 3.766 1.249 0.000) 3.967 2.610 ( 2.525 -3.563 0.000) 4.367 2.691 ( 1.979 0.371 0.000) 2.013 2.755 ( 0.573 0.737 0.000) 0.933 2.790 ( 4.545 -0.903 0.000) 4.634 2.860 ( 3.026 0.545 0.000) 3.074 2.860 ( 3.272 1.215 0.000) 3.490 2.898 ( 2.280 1.033 0.000) 2.503 3.006 ( -3.360 0.287 0.000) 3.372 3.151 ( -3.604 -0.384 0.000) 3.624 3.177 ( -2.654 1.950 0.000) 3.293 3.177 ( -0.180 1.325 0.000) 1.337 3.328 ( -9.127 2.149 0.000) 9.377 3.338 ( -7.626 3.134 0.000) 8.245 3.400 ( -7.863 2.066 0.000) 8.129 3.402 ( -9.585 3.171 0.000) 10.095 4.369 ( -0.294 -0.991 0.000) 1.033 4.391 ( -0.397 -1.605 0.000) 1.654 4.458 ( -2.162 2.078 0.000) 2.998 4.484 ( -1.754 0.975 0.000) 2.007 4.608 ( -1.767 2.128 0.000) 2.766 4.652 ( -0.818 1.807 0.000) 1.984 4.764 ( 0.309 -0.179 0.000) 0.358 4.776 ( -1.679 -0.789 0.000) 1.855 4.780 ( 0.596 -0.161 0.000) 0.617 4.796 ( -2.118 -0.374 0.000) 2.150 5.101 ( -0.365 -0.491 0.000) 0.612 5.117 ( -0.456 -0.843 0.000) 0.958 5.224 ( -2.608 -0.564 0.000) 2.669 5.237 ( 1.528 -1.615 0.000) 2.224 5.253 ( -0.825 -0.157 0.000) 0.840 5.262 ( -1.247 -0.476 0.000) 1.335 5.267 ( -0.676 -2.064 0.000) 2.171 5.314 ( 1.438 -2.284 0.000) 2.700 5.346 ( -0.527 -1.205 0.000) 1.315 5.384 ( 0.580 -1.671 0.000) 1.769 5.544 ( 1.117 -0.052 0.000) 1.118 5.549 ( -0.234 -0.233 0.000) 0.330 5.830 ( -9.168 -0.284 0.000) 9.173 5.860 ( -10.144 -1.197 0.000) 10.215 5.895 ( -4.627 -0.972 0.000) 4.728 5.995 ( -0.221 -0.323 0.000) 0.391 6.007 ( -2.113 0.212 0.000) 2.123 6.055 ( -0.300 -0.962 0.000) 1.008 6.594 ( 8.956 -0.386 0.000) 8.964 6.609 ( 8.860 -0.080 0.000) 8.860 ======================= Grid point 21 (15/98) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -2.409 -0.199 0.000) 2.417 1.152 ( -2.384 0.932 0.000) 2.559 1.380 ( -9.321 2.609 0.000) 9.679 1.385 ( -14.174 -7.398 0.000) 15.989 1.549 ( -1.662 -1.014 0.000) 1.947 1.613 ( -6.212 -2.203 0.000) 6.591 1.692 ( -2.670 -3.342 0.000) 4.277 1.702 ( -4.858 -4.513 0.000) 6.630 1.753 ( -5.473 -7.343 0.000) 9.158 1.829 ( -1.046 -6.450 0.000) 6.535 1.854 ( 0.603 -5.602 0.000) 5.634 1.945 ( -1.131 1.252 0.000) 1.687 1.982 ( -4.427 1.247 0.000) 4.599 2.122 ( 2.461 -3.116 0.000) 3.970 2.136 ( 1.026 -1.164 0.000) 1.552 2.182 ( -1.065 2.926 0.000) 3.114 2.259 ( 0.136 -0.249 0.000) 0.284 2.332 ( -0.060 2.612 0.000) 2.612 2.391 ( -6.271 2.807 0.000) 6.871 2.487 ( 1.024 -3.113 0.000) 3.277 2.573 ( 0.675 -0.458 0.000) 0.816 2.669 ( 1.211 -2.832 0.000) 3.080 2.689 ( -5.482 4.049 0.000) 6.815 2.735 ( 2.361 2.581 0.000) 3.498 2.833 ( -2.228 -2.340 0.000) 3.232 2.896 ( -4.401 0.993 0.000) 4.512 2.903 ( -3.436 2.606 0.000) 4.313 2.928 ( 2.444 0.141 0.000) 2.448 2.932 ( -7.650 2.284 0.000) 7.983 3.019 ( -1.863 1.633 0.000) 2.478 3.028 ( -10.510 0.990 0.000) 10.557 3.153 ( -4.063 1.432 0.000) 4.308 3.179 ( -2.107 0.585 0.000) 2.187 3.214 ( -2.223 2.429 0.000) 3.292 3.249 ( -1.084 3.168 0.000) 3.349 3.256 ( -3.663 3.932 0.000) 5.374 4.346 ( -3.045 0.092 0.000) 3.046 4.367 ( -3.361 -0.383 0.000) 3.382 4.393 ( -3.112 1.700 0.000) 3.546 4.445 ( -1.388 0.123 0.000) 1.393 4.570 ( -0.930 1.402 0.000) 1.682 4.637 ( 0.089 0.867 0.000) 0.871 4.742 ( -2.124 -0.687 0.000) 2.233 4.744 ( -3.181 -0.676 0.000) 3.252 4.764 ( -0.304 0.348 0.000) 0.462 4.782 ( -0.835 0.454 0.000) 0.951 5.110 ( -0.654 -0.655 0.000) 0.925 5.117 ( 1.231 -0.330 0.000) 1.274 5.171 ( -2.866 -0.503 0.000) 2.910 5.223 ( -0.785 0.471 0.000) 0.916 5.235 ( -0.237 0.118 0.000) 0.265 5.276 ( -0.550 -2.541 0.000) 2.599 5.294 ( 1.419 -3.355 0.000) 3.643 5.344 ( -0.273 -1.381 0.000) 1.408 5.363 ( 2.033 -2.493 0.000) 3.217 5.412 ( 1.181 -2.410 0.000) 2.683 5.542 ( -0.754 -0.604 0.000) 0.966 5.570 ( 1.442 0.222 0.000) 1.459 5.653 ( -7.582 -0.267 0.000) 7.587 5.668 ( -8.061 -0.149 0.000) 8.063 5.864 ( -2.199 -2.170 0.000) 3.089 5.974 ( -2.074 0.402 0.000) 2.112 5.975 ( -1.758 -0.627 0.000) 1.866 6.063 ( 0.415 -1.887 0.000) 1.932 6.743 ( 6.272 -0.474 0.000) 6.290 6.753 ( 6.083 -0.200 0.000) 6.086 ======================= Grid point 22 (16/98) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -3.429 0.407 0.000) 3.453 1.094 ( -3.456 1.060 0.000) 3.615 1.106 ( -17.578 -4.443 0.000) 18.131 1.162 ( -10.616 4.343 0.000) 11.470 1.460 ( -9.460 0.413 0.000) 9.469 1.482 ( -4.498 5.746 0.000) 7.297 1.556 ( -10.231 -6.465 0.000) 12.102 1.669 ( -1.789 -2.724 0.000) 3.259 1.718 ( -3.400 -8.105 0.000) 8.789 1.824 ( -9.237 -3.517 0.000) 9.884 1.898 ( -1.158 -3.490 0.000) 3.677 1.910 ( 0.091 -4.835 0.000) 4.836 1.922 ( 0.129 -0.547 0.000) 0.562 2.089 ( -11.676 1.040 0.000) 11.722 2.119 ( -4.042 2.116 0.000) 4.562 2.172 ( -2.814 -0.448 0.000) 2.849 2.210 ( -2.102 -0.063 0.000) 2.103 2.254 ( -2.363 2.384 0.000) 3.356 2.328 ( 0.920 2.538 0.000) 2.700 2.473 ( -10.262 9.868 0.000) 14.236 2.489 ( -3.231 -3.465 0.000) 4.737 2.545 ( -5.633 -0.517 0.000) 5.657 2.649 ( -5.685 -1.824 0.000) 5.970 2.652 ( -11.752 5.515 0.000) 12.982 2.696 ( -5.708 3.065 0.000) 6.478 2.744 ( -10.437 3.900 0.000) 11.142 2.791 ( -2.442 -0.847 0.000) 2.585 2.815 ( -4.730 1.384 0.000) 4.928 2.832 ( 0.650 -1.453 0.000) 1.591 2.930 ( -2.641 3.277 0.000) 4.209 3.045 ( 1.711 3.016 0.000) 3.467 3.132 ( -2.207 -0.563 0.000) 2.278 3.179 ( 3.504 -1.896 0.000) 3.984 3.243 ( 2.901 0.508 0.000) 2.945 3.253 ( 1.247 -1.352 0.000) 1.839 3.273 ( 5.640 -0.239 0.000) 5.645 4.253 ( -5.583 1.594 0.000) 5.806 4.270 ( -5.871 1.338 0.000) 6.022 4.315 ( -4.994 0.558 0.000) 5.025 4.429 ( -1.258 -1.963 0.000) 2.331 4.560 ( 0.362 0.852 0.000) 0.926 4.635 ( -0.851 0.155 0.000) 0.865 4.693 ( -1.862 -0.701 0.000) 1.990 4.708 ( -1.660 -0.762 0.000) 1.827 4.749 ( -0.901 0.731 0.000) 1.160 4.755 ( -0.848 0.450 0.000) 0.960 5.099 ( -0.647 -0.177 0.000) 0.671 5.117 ( -1.047 0.752 0.000) 1.289 5.129 ( -1.466 0.193 0.000) 1.479 5.240 ( -0.442 -1.449 0.000) 1.515 5.248 ( 2.843 -1.524 0.000) 3.226 5.279 ( 0.955 -0.640 0.000) 1.150 5.334 ( 1.096 -2.765 0.000) 2.974 5.351 ( 0.354 -0.253 0.000) 0.435 5.411 ( 1.838 -1.081 0.000) 2.133 5.448 ( 1.212 -1.535 0.000) 1.955 5.523 ( -1.764 -0.878 0.000) 1.970 5.556 ( -2.726 -0.233 0.000) 2.736 5.576 ( -1.952 -0.376 0.000) 1.988 5.588 ( 0.506 1.286 0.000) 1.382 5.822 ( -3.169 -1.574 0.000) 3.538 5.922 ( -2.656 0.527 0.000) 2.707 5.945 ( -1.986 -1.652 0.000) 2.583 6.089 ( 1.178 -2.082 0.000) 2.392 6.841 ( 3.714 -0.649 0.000) 3.771 6.844 ( 3.298 -0.297 0.000) 3.311 ======================= Grid point 23 (17/98) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -17.779 0.646 0.000) 17.791 0.789 ( -10.982 6.969 0.000) 13.007 0.959 ( -4.882 -0.014 0.000) 4.882 1.051 ( -2.056 1.514 0.000) 2.554 1.270 ( -9.267 2.200 0.000) 9.525 1.343 ( -6.260 4.451 0.000) 7.681 1.400 ( -9.784 -5.915 0.000) 11.433 1.569 ( -23.109 11.084 0.000) 25.630 1.593 ( -13.659 2.454 0.000) 13.878 1.652 ( -1.387 -0.645 0.000) 1.530 1.736 ( -4.146 -0.922 0.000) 4.247 1.857 ( -8.585 0.632 0.000) 8.608 1.872 ( -5.845 -5.204 0.000) 7.826 1.969 ( -1.241 -6.059 0.000) 6.185 2.040 ( -8.630 3.057 0.000) 9.156 2.070 ( 0.714 -2.552 0.000) 2.650 2.174 ( -3.784 0.814 0.000) 3.871 2.215 ( -0.627 2.304 0.000) 2.388 2.245 ( -10.376 9.724 0.000) 14.220 2.329 ( 0.533 2.767 0.000) 2.818 2.405 ( -3.358 0.421 0.000) 3.385 2.427 ( -4.223 -2.870 0.000) 5.106 2.467 ( -5.396 3.560 0.000) 6.465 2.494 ( -6.280 0.831 0.000) 6.335 2.606 ( -5.169 2.575 0.000) 5.775 2.613 ( -4.346 -2.327 0.000) 4.930 2.711 ( -4.597 0.864 0.000) 4.677 2.747 ( -2.306 1.694 0.000) 2.861 2.883 ( 2.223 -2.009 0.000) 2.996 2.893 ( 0.595 2.200 0.000) 2.279 3.020 ( -1.466 3.775 0.000) 4.049 3.119 ( 0.646 0.266 0.000) 0.698 3.230 ( 0.460 -3.195 0.000) 3.228 3.284 ( -0.217 -4.673 0.000) 4.678 3.326 ( 4.334 -1.368 0.000) 4.545 3.380 ( 4.837 -1.044 0.000) 4.948 4.132 ( -5.892 1.412 0.000) 6.059 4.148 ( -5.757 1.424 0.000) 5.931 4.191 ( -7.391 0.798 0.000) 7.434 4.404 ( -3.743 -5.302 0.000) 6.490 4.571 ( 0.967 0.094 0.000) 0.971 4.595 ( -2.947 -1.507 0.000) 3.309 4.671 ( -0.981 0.701 0.000) 1.206 4.691 ( -0.615 -0.842 0.000) 1.043 4.725 ( -1.068 0.802 0.000) 1.336 4.785 ( 4.562 1.300 0.000) 4.743 5.088 ( -0.289 1.128 0.000) 1.165 5.099 ( -0.249 0.011 0.000) 0.249 5.108 ( -0.294 1.270 0.000) 1.303 5.232 ( -1.041 -2.722 0.000) 2.914 5.309 ( 1.861 -1.725 0.000) 2.538 5.326 ( 3.072 0.200 0.000) 3.079 5.357 ( 0.921 1.867 0.000) 2.082 5.374 ( 1.856 -2.221 0.000) 2.894 5.439 ( 0.514 0.194 0.000) 0.550 5.472 ( 0.819 -0.377 0.000) 0.901 5.483 ( -2.366 -0.057 0.000) 2.367 5.535 ( -0.555 -1.192 0.000) 1.315 5.563 ( -1.797 3.112 0.000) 3.594 5.576 ( 1.239 0.053 0.000) 1.241 5.775 ( -1.945 -0.805 0.000) 2.105 5.882 ( -1.114 0.458 0.000) 1.204 5.916 ( -2.173 -2.195 0.000) 3.089 6.132 ( 2.047 -2.274 0.000) 3.060 6.885 ( 0.950 -0.258 0.000) 0.985 6.896 ( 1.592 -1.071 0.000) 1.919 ======================= Grid point 24 (18/98) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( -13.907 9.537 0.000) 16.863 0.488 ( -13.041 13.209 0.000) 18.562 0.921 ( -0.827 -1.658 0.000) 1.853 0.939 ( -27.574 21.106 0.000) 34.725 1.006 ( -2.771 2.516 0.000) 3.742 1.097 ( -6.800 0.532 0.000) 6.821 1.237 ( -4.106 3.911 0.000) 5.671 1.287 ( -5.741 -5.329 0.000) 7.833 1.324 ( -9.126 8.168 0.000) 12.248 1.631 ( -2.446 -0.042 0.000) 2.446 1.652 ( -5.704 -1.065 0.000) 5.802 1.673 ( -6.542 2.036 0.000) 6.851 1.768 ( -7.125 -0.865 0.000) 7.178 1.863 ( -7.635 2.911 0.000) 8.171 1.954 ( -0.354 0.944 0.000) 1.008 2.060 ( -4.027 3.299 0.000) 5.206 2.107 ( -2.708 0.264 0.000) 2.721 2.134 ( 3.100 -3.446 0.000) 4.635 2.196 ( 0.486 2.241 0.000) 2.294 2.322 ( -0.069 0.458 0.000) 0.463 2.369 ( -2.057 -0.917 0.000) 2.252 2.378 ( -0.960 0.381 0.000) 1.032 2.391 ( -1.474 0.389 0.000) 1.525 2.431 ( -2.478 -0.834 0.000) 2.614 2.493 ( -3.845 3.575 0.000) 5.250 2.522 ( -6.140 -2.807 0.000) 6.751 2.647 ( -1.696 1.105 0.000) 2.024 2.696 ( -1.650 2.892 0.000) 3.329 2.911 ( 1.535 0.576 0.000) 1.640 2.919 ( 0.239 -1.894 0.000) 1.909 3.002 ( 1.734 0.940 0.000) 1.973 3.133 ( 1.898 4.020 0.000) 4.445 3.241 ( -0.660 -2.671 0.000) 2.752 3.293 ( -0.925 -4.227 0.000) 4.327 3.401 ( 2.566 -1.460 0.000) 2.952 3.463 ( 2.821 -1.943 0.000) 3.425 4.026 ( -4.076 1.006 0.000) 4.198 4.044 ( -6.621 0.976 0.000) 6.693 4.048 ( -3.727 0.970 0.000) 3.851 4.311 ( -13.061 -13.609 0.000) 18.863 4.556 ( -1.895 -2.114 0.000) 2.839 4.593 ( 0.896 -1.087 0.000) 1.408 4.652 ( -0.306 1.468 0.000) 1.500 4.689 ( -0.193 -0.659 0.000) 0.687 4.704 ( -0.668 0.431 0.000) 0.795 4.906 ( 9.756 4.106 0.000) 10.585 5.081 ( 1.648 4.317 0.000) 4.621 5.103 ( 0.300 0.820 0.000) 0.873 5.112 ( 1.546 0.553 0.000) 1.642 5.234 ( -0.374 -2.945 0.000) 2.969 5.335 ( 0.338 -1.438 0.000) 1.478 5.350 ( 0.326 1.655 0.000) 1.687 5.392 ( 2.446 0.438 0.000) 2.485 5.393 ( -3.144 -1.541 0.000) 3.501 5.429 ( 0.205 -0.716 0.000) 0.745 5.456 ( 0.122 2.286 0.000) 2.289 5.484 ( 0.391 0.335 0.000) 0.515 5.506 ( -1.221 4.151 0.000) 4.327 5.525 ( -2.175 -2.678 0.000) 3.450 5.602 ( 1.054 -0.105 0.000) 1.059 5.765 ( 0.259 -0.691 0.000) 0.738 5.870 ( -0.058 0.721 0.000) 0.724 5.883 ( -2.648 -2.207 0.000) 3.447 6.185 ( 1.906 -2.409 0.000) 3.072 6.889 ( -0.375 -0.082 0.000) 0.384 6.913 ( -0.782 -2.020 0.000) 2.166 ======================= Grid point 25 (19/98) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.226 ( 0.000 20.912 0.000) 20.912 0.233 ( 0.000 21.428 0.000) 21.428 0.387 ( 0.000 35.753 0.000) 35.753 0.924 ( -0.000 -1.342 0.000) 1.342 0.925 ( 0.000 3.428 0.000) 3.428 1.048 ( -0.000 -0.993 0.000) 0.993 1.173 ( 0.000 2.836 0.000) 2.836 1.197 ( 0.000 7.662 0.000) 7.662 1.269 ( -0.000 -6.436 0.000) 6.436 1.562 ( 0.000 0.628 0.000) 0.628 1.585 ( -0.000 -0.183 0.000) 0.183 1.637 ( 0.000 1.406 0.000) 1.406 1.700 ( -0.000 -1.735 0.000) 1.735 1.736 ( 0.000 9.737 0.000) 9.737 1.971 ( -0.000 -1.778 0.000) 1.778 1.980 ( 0.000 1.549 0.000) 1.549 2.081 ( -0.000 -0.237 0.000) 0.237 2.188 ( -0.000 -1.887 0.000) 1.887 2.202 ( 0.000 1.533 0.000) 1.533 2.327 ( -0.000 -2.462 0.000) 2.462 2.359 ( 0.000 1.229 0.000) 1.229 2.360 ( -0.000 -0.909 0.000) 0.909 2.385 ( -0.000 -0.836 0.000) 0.836 2.390 ( 0.000 0.246 0.000) 0.246 2.444 ( 0.000 3.472 0.000) 3.472 2.448 ( -0.000 -0.727 0.000) 0.727 2.626 ( 0.000 1.143 0.000) 1.143 2.662 ( 0.000 2.620 0.000) 2.620 2.927 ( -0.000 -1.332 0.000) 1.332 2.928 ( -0.000 -0.081 0.000) 0.081 3.064 ( -0.000 -3.517 0.000) 3.517 3.174 ( 0.000 3.151 0.000) 3.151 3.244 ( -0.000 -1.557 0.000) 1.557 3.332 ( -0.000 -3.742 0.000) 3.742 3.434 ( -0.000 -1.042 0.000) 1.042 3.502 ( -0.000 -1.744 0.000) 1.744 3.967 ( 0.000 0.756 0.000) 0.756 3.967 ( 0.000 0.846 0.000) 0.846 3.981 ( 0.000 0.721 0.000) 0.721 4.007 ( 0.000 0.706 0.000) 0.706 4.549 ( -0.000 -1.995 0.000) 1.995 4.609 ( -0.000 -1.341 0.000) 1.341 4.642 ( 0.000 1.645 0.000) 1.645 4.688 ( 0.000 0.087 0.000) 0.087 4.698 ( -0.000 -0.544 0.000) 0.544 5.026 ( -0.000 -1.050 0.000) 1.050 5.104 ( 0.000 0.523 0.000) 0.523 5.131 ( 0.000 0.929 0.000) 0.929 5.246 ( -0.000 -2.679 0.000) 2.679 5.281 ( -0.000 -0.221 0.000) 0.221 5.334 ( -0.000 -0.343 0.000) 0.343 5.344 ( -0.000 -0.354 0.000) 0.354 5.350 ( -0.000 -1.523 0.000) 1.523 5.380 ( 0.000 0.988 0.000) 0.988 5.420 ( 0.000 0.419 0.000) 0.419 5.423 ( 0.000 0.488 0.000) 0.488 5.453 ( 0.000 2.438 0.000) 2.438 5.482 ( 0.000 1.830 0.000) 1.830 5.486 ( 0.000 0.696 0.000) 0.696 5.610 ( -0.000 -0.769 0.000) 0.769 5.760 ( 0.000 0.061 0.000) 0.061 5.835 ( 0.000 1.713 0.000) 1.713 5.866 ( 0.000 0.687 0.000) 0.687 6.217 ( -0.000 -1.934 0.000) 1.934 6.880 ( -0.000 -0.010 0.000) 0.010 6.883 ( 0.000 0.035 0.000) 0.035 ======================= Grid point 28 (20/98) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 2.584 0.000 0.000) 2.584 1.134 ( 2.706 0.000 0.000) 2.706 1.337 ( 11.494 0.000 0.000) 11.494 1.521 ( 6.319 0.000 0.000) 6.319 1.557 ( 14.500 0.000 0.000) 14.500 1.668 ( 8.914 0.000 0.000) 8.914 1.746 ( 1.663 0.000 0.000) 1.663 1.757 ( 1.878 0.000 0.000) 1.878 1.899 ( -1.201 -0.000 0.000) 1.201 1.918 ( 6.032 0.000 0.000) 6.032 2.005 ( 1.531 0.000 0.000) 1.531 2.065 ( 3.102 0.000 0.000) 3.102 2.067 ( 2.153 0.000 0.000) 2.153 2.085 ( -4.482 -0.000 0.000) 4.482 2.119 ( 4.212 0.000 0.000) 4.212 2.151 ( -4.034 -0.000 0.000) 4.034 2.241 ( -0.936 -0.000 0.000) 0.936 2.265 ( 0.778 0.000 0.000) 0.778 2.379 ( 4.547 0.000 0.000) 4.547 2.497 ( 7.037 0.000 0.000) 7.037 2.552 ( -1.588 -0.000 0.000) 1.588 2.567 ( 4.008 0.000 0.000) 4.008 2.651 ( -0.938 -0.000 0.000) 0.938 2.700 ( -1.684 -0.000 0.000) 1.684 2.843 ( 10.099 0.000 0.000) 10.099 2.876 ( 0.542 0.000 0.000) 0.542 2.898 ( 5.311 0.000 0.000) 5.311 2.955 ( 7.703 0.000 0.000) 7.703 2.985 ( 17.035 0.000 0.000) 17.035 2.991 ( 0.523 0.000 0.000) 0.523 2.994 ( -0.357 -0.000 0.000) 0.357 3.124 ( -0.930 -0.000 0.000) 0.930 3.129 ( 5.192 0.000 0.000) 5.192 3.141 ( -2.779 -0.000 0.000) 2.779 3.172 ( -2.831 -0.000 0.000) 2.831 3.193 ( -0.263 -0.000 0.000) 0.263 4.323 ( 4.496 0.000 0.000) 4.496 4.359 ( 5.161 0.000 0.000) 5.161 4.379 ( 1.989 0.000 0.000) 1.989 4.452 ( -0.536 -0.000 0.000) 0.536 4.554 ( 1.096 0.000 0.000) 1.096 4.630 ( 0.149 0.000 0.000) 0.149 4.746 ( 1.778 0.000 0.000) 1.778 4.755 ( 1.985 0.000 0.000) 1.985 4.763 ( 1.051 0.000 0.000) 1.051 4.777 ( 1.816 0.000 0.000) 1.816 5.127 ( 0.969 0.000 0.000) 0.969 5.137 ( 2.337 0.000 0.000) 2.337 5.180 ( 1.256 0.000 0.000) 1.256 5.210 ( -1.376 -0.000 0.000) 1.376 5.235 ( 0.046 0.000 0.000) 0.046 5.302 ( -0.010 -0.000 0.000) 0.010 5.342 ( -2.315 -0.000 0.000) 2.315 5.387 ( 0.827 0.000 0.000) 0.827 5.413 ( -0.857 -0.000 0.000) 0.857 5.457 ( -1.053 -0.000 0.000) 1.053 5.557 ( -0.790 -0.000 0.000) 0.790 5.566 ( 0.357 0.000 0.000) 0.357 5.661 ( 7.083 0.000 0.000) 7.083 5.667 ( 8.546 0.000 0.000) 8.546 5.907 ( 2.850 0.000 0.000) 2.850 5.967 ( 2.557 0.000 0.000) 2.557 5.989 ( 0.328 0.000 0.000) 0.328 6.099 ( -0.936 -0.000 0.000) 0.936 6.753 ( -6.391 -0.000 0.000) 6.391 6.757 ( -6.245 -0.000 0.000) 6.245 ======================= Grid point 29 (21/98) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 1.484 0.069 0.000) 1.486 1.178 ( 1.825 -0.141 0.000) 1.831 1.524 ( 7.728 -0.103 0.000) 7.729 1.610 ( 2.353 1.147 0.000) 2.618 1.744 ( 5.896 1.248 0.000) 6.027 1.754 ( -0.393 1.499 0.000) 1.550 1.782 ( 2.395 0.381 0.000) 2.425 1.788 ( 1.330 -1.084 0.000) 1.716 1.855 ( -2.516 -0.652 0.000) 2.599 1.917 ( -4.357 6.256 0.000) 7.623 1.989 ( -4.397 -3.364 0.000) 5.537 2.032 ( -3.937 3.763 0.000) 5.446 2.087 ( 3.400 -1.127 0.000) 3.582 2.092 ( 0.796 0.596 0.000) 0.994 2.176 ( 6.345 -0.012 0.000) 6.345 2.183 ( 2.708 1.674 0.000) 3.183 2.256 ( 1.718 -2.360 0.000) 2.919 2.256 ( -0.847 0.535 0.000) 1.002 2.415 ( -0.292 0.147 0.000) 0.327 2.424 ( -5.752 -2.073 0.000) 6.114 2.503 ( -2.758 0.537 0.000) 2.810 2.646 ( -3.435 -0.198 0.000) 3.440 2.658 ( 1.235 -0.644 0.000) 1.393 2.728 ( 5.462 -0.888 0.000) 5.534 2.845 ( -3.542 0.219 0.000) 3.548 2.855 ( -4.137 0.949 0.000) 4.245 2.867 ( -6.591 1.044 0.000) 6.673 2.884 ( -5.768 -0.334 0.000) 5.777 3.004 ( 3.311 0.145 0.000) 3.314 3.120 ( 3.527 -0.811 0.000) 3.619 3.136 ( 1.889 -0.674 0.000) 2.006 3.138 ( 1.756 -0.555 0.000) 1.842 3.266 ( 10.387 -0.579 0.000) 10.403 3.290 ( 13.221 0.088 0.000) 13.221 3.318 ( 11.459 -0.919 0.000) 11.495 3.336 ( 10.571 -0.935 0.000) 10.612 4.390 ( 0.124 0.481 0.000) 0.497 4.401 ( 2.877 -0.919 0.000) 3.021 4.431 ( -0.231 0.948 0.000) 0.976 4.445 ( 2.291 -1.082 0.000) 2.534 4.587 ( 2.213 0.031 0.000) 2.213 4.640 ( 0.984 0.136 0.000) 0.993 4.774 ( 0.787 0.435 0.000) 0.899 4.779 ( 0.806 -0.364 0.000) 0.885 4.786 ( 0.980 0.061 0.000) 0.982 4.799 ( 0.567 -0.018 0.000) 0.567 5.139 ( 0.382 0.266 0.000) 0.466 5.150 ( -0.844 1.712 0.000) 1.909 5.187 ( 1.563 -1.736 0.000) 2.336 5.246 ( 2.506 0.160 0.000) 2.511 5.246 ( 0.887 -0.114 0.000) 0.894 5.295 ( -2.316 0.255 0.000) 2.330 5.304 ( 0.318 0.233 0.000) 0.395 5.380 ( -2.401 0.689 0.000) 2.498 5.381 ( -1.156 0.302 0.000) 1.195 5.427 ( -1.839 0.482 0.000) 1.901 5.539 ( -0.894 -0.079 0.000) 0.897 5.564 ( -0.427 0.191 0.000) 0.468 5.837 ( 9.605 0.070 0.000) 9.605 5.873 ( 12.240 0.028 0.000) 12.240 5.949 ( 2.573 0.946 0.000) 2.742 5.992 ( 0.115 -0.446 0.000) 0.461 6.002 ( 0.879 0.052 0.000) 0.881 6.081 ( -0.867 0.282 0.000) 0.912 6.606 ( -8.927 0.180 0.000) 8.928 6.609 ( -9.118 -0.061 0.000) 9.118 ======================= Grid point 30 (22/98) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 0.354 0.082 0.000) 0.363 1.205 ( 0.864 -0.141 0.000) 0.876 1.586 ( -3.226 3.758 0.000) 4.952 1.626 ( 2.793 -0.120 0.000) 2.795 1.711 ( -2.671 1.363 0.000) 2.998 1.743 ( -4.083 5.350 0.000) 6.730 1.769 ( -1.846 2.370 0.000) 3.004 1.816 ( 0.931 -0.180 0.000) 0.948 1.834 ( -1.333 -2.995 0.000) 3.279 1.853 ( -0.490 -0.741 0.000) 0.889 1.899 ( -3.679 0.611 0.000) 3.730 1.933 ( -5.953 -6.303 0.000) 8.670 2.097 ( 0.126 0.437 0.000) 0.455 2.145 ( 0.097 0.302 0.000) 0.317 2.222 ( 2.502 1.257 0.000) 2.800 2.234 ( -0.611 0.337 0.000) 0.698 2.248 ( 0.214 0.268 0.000) 0.342 2.287 ( -0.162 -0.220 0.000) 0.273 2.396 ( 2.494 -0.390 0.000) 2.524 2.423 ( 1.821 0.796 0.000) 1.988 2.470 ( -0.231 -1.158 0.000) 1.181 2.585 ( -3.076 -0.459 0.000) 3.110 2.638 ( -2.967 -0.733 0.000) 3.057 2.756 ( -2.316 2.629 0.000) 3.504 2.761 ( -0.951 2.209 0.000) 2.405 2.801 ( -2.033 -1.361 0.000) 2.447 2.810 ( 1.101 0.013 0.000) 1.101 2.849 ( 0.845 -1.668 0.000) 1.870 3.072 ( 3.433 0.402 0.000) 3.457 3.112 ( -1.558 -0.814 0.000) 1.757 3.178 ( 1.577 -0.577 0.000) 1.680 3.195 ( 2.501 -0.370 0.000) 2.528 3.456 ( 6.584 0.802 0.000) 6.633 3.465 ( 4.922 1.215 0.000) 5.069 3.494 ( 4.831 -1.309 0.000) 5.005 3.497 ( 5.834 -1.835 0.000) 6.115 4.373 ( -1.117 -0.067 0.000) 1.119 4.402 ( -1.573 0.084 0.000) 1.576 4.461 ( 2.534 -0.544 0.000) 2.592 4.493 ( 1.681 -0.408 0.000) 1.730 4.633 ( 2.513 0.415 0.000) 2.547 4.666 ( 1.866 0.494 0.000) 1.930 4.771 ( -0.578 0.653 0.000) 0.872 4.784 ( -0.633 0.961 0.000) 1.151 4.793 ( 0.038 -0.706 0.000) 0.708 4.809 ( 0.185 -1.126 0.000) 1.141 5.135 ( -0.704 0.286 0.000) 0.760 5.137 ( 0.089 0.612 0.000) 0.618 5.199 ( -1.503 -0.561 0.000) 1.604 5.258 ( 0.029 -0.138 0.000) 0.141 5.264 ( -0.302 0.057 0.000) 0.308 5.284 ( 1.165 0.054 0.000) 1.166 5.310 ( 0.400 0.880 0.000) 0.967 5.323 ( -2.709 0.632 0.000) 2.782 5.352 ( -1.622 -0.539 0.000) 1.710 5.389 ( -1.657 0.276 0.000) 1.680 5.527 ( -0.376 -0.125 0.000) 0.396 5.555 ( -0.297 0.138 0.000) 0.328 5.905 ( -0.547 0.354 0.000) 0.652 5.980 ( -0.138 0.358 0.000) 0.384 6.002 ( -0.532 0.127 0.000) 0.547 6.065 ( -0.597 0.189 0.000) 0.626 6.104 ( 10.573 -0.008 0.000) 10.573 6.111 ( 10.309 -0.220 0.000) 10.311 6.416 ( -9.854 0.193 0.000) 9.856 6.425 ( -9.025 -0.053 0.000) 9.025 ======================= Grid point 31 (23/98) ======================= q-point: (-0.62 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -0.693 -0.021 0.000) 0.693 1.213 ( -0.014 0.109 0.000) 0.110 1.481 ( -4.161 3.126 0.000) 5.204 1.633 ( -1.892 0.030 0.000) 1.892 1.654 ( -5.244 -2.694 0.000) 5.896 1.664 ( -1.849 -0.588 0.000) 1.940 1.714 ( -2.382 1.145 0.000) 2.643 1.769 ( -3.669 -0.633 0.000) 3.723 1.790 ( -5.315 -2.953 0.000) 6.080 1.820 ( -2.094 -3.534 0.000) 4.108 1.885 ( -0.514 -3.784 0.000) 3.819 1.928 ( 1.878 0.138 0.000) 1.883 2.090 ( -0.617 0.676 0.000) 0.915 2.122 ( -1.443 -0.405 0.000) 1.499 2.184 ( -5.485 -0.456 0.000) 5.504 2.237 ( -0.121 -0.461 0.000) 0.476 2.257 ( -0.080 2.007 0.000) 2.009 2.282 ( 2.852 0.369 0.000) 2.876 2.454 ( 2.076 1.249 0.000) 2.422 2.468 ( 4.067 0.590 0.000) 4.110 2.492 ( 0.312 -1.528 0.000) 1.559 2.531 ( -2.410 -1.821 0.000) 3.021 2.638 ( 2.557 -0.331 0.000) 2.578 2.740 ( 1.648 1.980 0.000) 2.576 2.749 ( 1.088 2.092 0.000) 2.358 2.805 ( 1.706 -1.041 0.000) 1.998 2.829 ( 0.924 -0.248 0.000) 0.957 2.885 ( 1.992 0.544 0.000) 2.064 3.065 ( -2.492 0.048 0.000) 2.493 3.144 ( 3.052 0.272 0.000) 3.065 3.190 ( -0.760 -0.259 0.000) 0.803 3.226 ( 0.551 0.590 0.000) 0.807 3.473 ( -2.989 1.374 0.000) 3.290 3.486 ( -2.336 1.852 0.000) 2.981 3.520 ( -2.543 -0.308 0.000) 2.562 3.543 ( -2.042 -0.551 0.000) 2.115 4.359 ( -0.460 -0.622 0.000) 0.774 4.379 ( -0.881 -0.726 0.000) 1.142 4.494 ( 0.691 0.447 0.000) 0.823 4.510 ( -0.039 0.051 0.000) 0.064 4.664 ( 0.900 2.099 0.000) 2.284 4.695 ( 1.251 2.100 0.000) 2.444 4.755 ( -0.395 0.025 0.000) 0.396 4.766 ( -0.326 0.341 0.000) 0.472 4.787 ( -1.195 -1.221 0.000) 1.709 4.812 ( -0.770 -1.487 0.000) 1.675 5.115 ( -1.011 -0.330 0.000) 1.063 5.128 ( -1.463 0.427 0.000) 1.525 5.175 ( -0.155 -1.415 0.000) 1.424 5.248 ( -1.152 -0.647 0.000) 1.321 5.255 ( -1.258 -0.496 0.000) 1.352 5.285 ( -0.903 -0.538 0.000) 1.051 5.291 ( -0.496 0.382 0.000) 0.626 5.295 ( -1.378 0.776 0.000) 1.581 5.338 ( -0.473 -1.120 0.000) 1.216 5.368 ( -0.607 -0.490 0.000) 0.781 5.527 ( 0.363 -0.154 0.000) 0.394 5.551 ( -0.069 0.093 0.000) 0.116 5.881 ( -1.580 -0.350 0.000) 1.618 5.962 ( -2.268 -0.169 0.000) 2.275 5.991 ( -0.396 -0.221 0.000) 0.454 6.056 ( -0.439 -0.079 0.000) 0.446 6.108 ( -10.948 0.072 0.000) 10.948 6.122 ( -8.636 0.145 0.000) 8.637 6.405 ( 9.282 -0.187 0.000) 9.284 6.426 ( 9.083 -0.003 0.000) 9.083 ======================= Grid point 32 (24/98) ======================= q-point: (-0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -1.584 -0.151 0.000) 1.591 1.200 ( -1.187 0.585 0.000) 1.324 1.426 ( -2.565 -4.386 0.000) 5.081 1.542 ( -8.061 -6.184 0.000) 10.160 1.555 ( -5.648 1.521 0.000) 5.849 1.635 ( -2.137 -2.395 0.000) 3.210 1.687 ( -1.419 -2.571 0.000) 2.937 1.692 ( -4.705 -2.389 0.000) 5.277 1.753 ( -1.906 -4.771 0.000) 5.138 1.793 ( -2.371 -3.812 0.000) 4.489 1.876 ( -2.769 0.581 0.000) 2.829 1.960 ( 1.851 0.753 0.000) 1.998 2.063 ( -1.868 1.240 0.000) 2.242 2.073 ( -4.814 -3.348 0.000) 5.864 2.112 ( 0.005 -0.016 0.000) 0.017 2.240 ( 0.146 3.312 0.000) 3.315 2.245 ( 0.516 -0.239 0.000) 0.568 2.348 ( 2.971 0.834 0.000) 3.085 2.449 ( -2.836 -1.385 0.000) 3.156 2.479 ( 0.733 2.094 0.000) 2.218 2.536 ( 2.442 -0.615 0.000) 2.519 2.567 ( 2.439 -4.098 0.000) 4.769 2.693 ( 2.484 0.178 0.000) 2.491 2.767 ( 1.065 1.224 0.000) 1.623 2.786 ( 3.123 -0.026 0.000) 3.123 2.862 ( 3.587 0.107 0.000) 3.589 2.867 ( 3.299 0.018 0.000) 3.299 2.916 ( 2.246 2.046 0.000) 3.038 3.009 ( -3.175 0.223 0.000) 3.183 3.146 ( -4.033 -0.401 0.000) 4.053 3.187 ( 1.514 0.782 0.000) 1.704 3.199 ( -3.398 1.883 0.000) 3.885 3.349 ( -8.664 1.687 0.000) 8.826 3.369 ( -7.561 2.541 0.000) 7.976 3.419 ( -6.616 1.583 0.000) 6.802 3.433 ( -8.049 2.479 0.000) 8.422 4.358 ( -0.289 -0.973 0.000) 1.015 4.374 ( -0.583 -1.487 0.000) 1.597 4.477 ( -1.842 1.522 0.000) 2.389 4.492 ( -1.586 0.515 0.000) 1.667 4.638 ( -1.634 3.293 0.000) 3.676 4.678 ( -0.963 2.941 0.000) 3.095 4.762 ( 0.206 -0.316 0.000) 0.377 4.764 ( -1.351 -1.206 0.000) 1.811 4.779 ( 0.935 -0.026 0.000) 0.936 4.790 ( -2.104 -0.960 0.000) 2.313 5.101 ( -0.377 0.435 0.000) 0.576 5.108 ( -0.268 -0.776 0.000) 0.821 5.203 ( 1.239 -3.700 0.000) 3.902 5.219 ( -2.660 -0.559 0.000) 2.718 5.233 ( -0.956 -2.754 0.000) 2.915 5.261 ( -1.721 0.316 0.000) 1.750 5.265 ( -1.738 0.531 0.000) 1.817 5.293 ( 0.925 -1.753 0.000) 1.983 5.335 ( -0.333 -0.844 0.000) 0.907 5.367 ( -0.061 -1.402 0.000) 1.403 5.542 ( 0.973 -0.146 0.000) 0.984 5.548 ( -0.124 0.034 0.000) 0.128 5.827 ( -8.722 -0.220 0.000) 8.725 5.846 ( -8.223 -1.390 0.000) 8.339 5.889 ( -7.270 -0.264 0.000) 7.274 5.992 ( 0.085 -0.350 0.000) 0.360 6.008 ( -2.525 0.094 0.000) 2.527 6.046 ( -0.841 -0.690 0.000) 1.088 6.591 ( 8.932 -0.299 0.000) 8.937 6.608 ( 8.800 -0.079 0.000) 8.800 ======================= Grid point 33 (25/98) ======================= q-point: (-0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -2.340 -0.164 0.000) 2.346 1.162 ( -2.308 0.864 0.000) 2.464 1.312 ( -12.307 -6.048 0.000) 13.712 1.412 ( -7.909 3.339 0.000) 8.585 1.515 ( 0.748 -5.240 0.000) 5.293 1.593 ( -4.444 -1.607 0.000) 4.725 1.646 ( -2.623 -5.195 0.000) 5.820 1.652 ( -3.299 -4.010 0.000) 5.193 1.683 ( -8.575 -6.132 0.000) 10.542 1.791 ( -0.891 -5.735 0.000) 5.804 1.798 ( -3.362 0.701 0.000) 3.434 1.960 ( -1.170 1.383 0.000) 1.812 2.003 ( -3.285 2.377 0.000) 4.055 2.080 ( 2.342 -4.435 0.000) 5.016 2.126 ( 0.820 -0.757 0.000) 1.116 2.216 ( -1.192 3.400 0.000) 3.603 2.256 ( 0.186 -0.286 0.000) 0.342 2.352 ( -0.775 1.009 0.000) 1.272 2.420 ( -6.159 2.299 0.000) 6.574 2.454 ( 0.921 -2.738 0.000) 2.889 2.562 ( -0.011 -1.262 0.000) 1.262 2.632 ( 1.421 -3.774 0.000) 4.032 2.717 ( -1.589 1.381 0.000) 2.105 2.759 ( 0.432 1.976 0.000) 2.023 2.812 ( -1.897 -1.440 0.000) 2.381 2.909 ( -2.094 1.051 0.000) 2.343 2.924 ( -2.329 1.949 0.000) 3.037 2.933 ( 2.997 0.529 0.000) 3.043 2.968 ( -2.542 3.120 0.000) 4.025 3.040 ( -7.497 1.135 0.000) 7.582 3.045 ( -6.204 3.390 0.000) 7.069 3.166 ( -6.667 0.892 0.000) 6.726 3.183 ( -2.271 0.200 0.000) 2.280 3.236 ( -3.693 1.418 0.000) 3.956 3.283 ( -3.481 3.132 0.000) 4.683 3.295 ( -4.170 3.150 0.000) 5.226 4.343 ( -2.207 -0.507 0.000) 2.265 4.358 ( -2.330 -1.191 0.000) 2.616 4.414 ( -3.582 1.994 0.000) 4.100 4.449 ( -2.285 0.583 0.000) 2.358 4.590 ( -1.297 2.288 0.000) 2.630 4.649 ( -0.516 1.392 0.000) 1.484 4.732 ( -2.261 -1.312 0.000) 2.614 4.736 ( -3.376 -0.831 0.000) 3.477 4.769 ( 0.066 0.648 0.000) 0.652 4.788 ( -0.504 0.775 0.000) 0.924 5.104 ( -0.382 -0.241 0.000) 0.452 5.117 ( 2.072 0.465 0.000) 2.124 5.166 ( -2.897 -0.410 0.000) 2.926 5.227 ( -1.667 0.119 0.000) 1.671 5.233 ( -1.247 -1.942 0.000) 2.308 5.245 ( 0.413 -1.699 0.000) 1.748 5.253 ( 1.610 -4.001 0.000) 4.313 5.335 ( 0.022 -0.446 0.000) 0.446 5.335 ( 2.184 -2.562 0.000) 3.366 5.385 ( 1.062 -2.557 0.000) 2.768 5.536 ( -0.939 -0.394 0.000) 1.019 5.572 ( 1.753 0.235 0.000) 1.769 5.651 ( -7.502 -0.170 0.000) 7.504 5.665 ( -7.999 -0.265 0.000) 8.003 5.842 ( -2.272 -2.000 0.000) 3.026 5.969 ( -2.207 -0.533 0.000) 2.270 5.979 ( -1.764 0.530 0.000) 1.842 6.042 ( 0.080 -1.917 0.000) 1.918 6.738 ( 6.211 -0.415 0.000) 6.225 6.751 ( 6.019 -0.192 0.000) 6.022 ======================= Grid point 34 (26/98) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -2.813 0.134 0.000) 2.816 1.079 ( -13.359 -0.462 0.000) 13.367 1.105 ( -3.205 1.013 0.000) 3.361 1.218 ( -9.466 5.878 0.000) 11.142 1.471 ( -7.459 1.761 0.000) 7.664 1.488 ( -9.993 -5.907 0.000) 11.609 1.544 ( -2.207 4.946 0.000) 5.416 1.632 ( -1.433 -4.071 0.000) 4.316 1.633 ( -3.853 -7.300 0.000) 8.254 1.772 ( -5.830 -5.559 0.000) 8.056 1.796 ( 1.104 -9.676 0.000) 9.739 1.911 ( -3.623 -0.136 0.000) 3.625 1.933 ( -1.878 2.008 0.000) 2.749 2.103 ( -5.879 1.453 0.000) 6.056 2.142 ( -5.268 2.122 0.000) 5.679 2.158 ( 1.212 -2.291 0.000) 2.592 2.208 ( -6.122 -0.103 0.000) 6.123 2.277 ( -3.425 1.622 0.000) 3.790 2.346 ( 0.516 0.669 0.000) 0.845 2.451 ( -3.380 -3.319 0.000) 4.737 2.535 ( -4.303 -0.663 0.000) 4.354 2.578 ( -9.108 8.788 0.000) 12.657 2.628 ( -3.958 -1.900 0.000) 4.390 2.705 ( -9.318 4.764 0.000) 10.465 2.754 ( -8.410 6.759 0.000) 10.790 2.767 ( -2.984 -0.232 0.000) 2.993 2.809 ( -8.304 4.709 0.000) 9.546 2.815 ( -2.272 -0.708 0.000) 2.380 2.832 ( -3.476 1.179 0.000) 3.671 2.964 ( -1.107 2.958 0.000) 3.158 3.070 ( 3.022 1.543 0.000) 3.393 3.127 ( -3.169 -0.417 0.000) 3.197 3.154 ( 1.952 -2.691 0.000) 3.324 3.231 ( -1.398 -2.572 0.000) 2.928 3.249 ( 0.794 0.537 0.000) 0.959 3.271 ( 4.342 -0.162 0.000) 4.345 4.268 ( -5.220 1.189 0.000) 5.354 4.283 ( -5.332 0.953 0.000) 5.417 4.324 ( -5.074 1.158 0.000) 5.204 4.409 ( -2.481 -1.619 0.000) 2.962 4.570 ( 0.010 1.048 0.000) 1.048 4.632 ( -2.262 -0.781 0.000) 2.393 4.691 ( -0.486 0.162 0.000) 0.512 4.697 ( -1.905 -1.339 0.000) 2.328 4.759 ( -0.659 1.027 0.000) 1.220 4.759 ( -1.337 0.370 0.000) 1.387 5.099 ( -0.157 0.147 0.000) 0.215 5.119 ( -1.942 -0.204 0.000) 1.953 5.140 ( -0.064 1.476 0.000) 1.478 5.218 ( -1.619 -2.461 0.000) 2.945 5.231 ( 2.259 -1.461 0.000) 2.690 5.276 ( 2.451 0.032 0.000) 2.451 5.304 ( 1.768 -2.770 0.000) 3.286 5.348 ( 1.254 -0.152 0.000) 1.263 5.396 ( 2.677 -1.639 0.000) 3.139 5.430 ( 1.924 -1.777 0.000) 2.618 5.514 ( -1.747 -0.750 0.000) 1.901 5.555 ( -2.770 0.040 0.000) 2.770 5.571 ( -2.123 -0.484 0.000) 2.178 5.600 ( 1.279 1.104 0.000) 1.690 5.801 ( -3.017 -2.122 0.000) 3.688 5.928 ( -2.690 0.627 0.000) 2.762 5.929 ( -2.307 -1.264 0.000) 2.631 6.065 ( 1.040 -2.217 0.000) 2.449 6.834 ( 3.586 -0.613 0.000) 3.638 6.841 ( 3.254 -0.293 0.000) 3.267 ======================= Grid point 35 (27/98) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -11.221 7.704 0.000) 13.612 0.856 ( -5.164 4.451 0.000) 6.818 0.976 ( -7.688 3.787 0.000) 8.570 1.072 ( -2.345 2.513 0.000) 3.438 1.305 ( -8.169 4.175 0.000) 9.174 1.322 ( -9.338 -5.248 0.000) 10.712 1.420 ( -7.138 6.431 0.000) 9.607 1.608 ( -7.952 -0.106 0.000) 7.953 1.612 ( -4.846 -2.819 0.000) 5.606 1.644 ( -2.615 -0.697 0.000) 2.706 1.787 ( -15.373 9.120 0.000) 17.875 1.818 ( -5.392 -4.475 0.000) 7.007 1.867 ( -7.128 1.257 0.000) 7.238 1.893 ( -0.682 -7.445 0.000) 7.476 2.041 ( -2.136 -2.753 0.000) 3.484 2.074 ( -7.224 3.365 0.000) 7.969 2.174 ( -3.099 -1.011 0.000) 3.260 2.236 ( -0.371 1.412 0.000) 1.459 2.354 ( -9.076 10.160 0.000) 13.623 2.354 ( 0.576 1.485 0.000) 1.593 2.395 ( -3.339 -3.004 0.000) 4.491 2.415 ( -4.836 1.371 0.000) 5.027 2.508 ( -6.641 1.834 0.000) 6.889 2.516 ( -6.552 5.519 0.000) 8.566 2.600 ( -5.402 0.152 0.000) 5.404 2.642 ( -4.630 4.103 0.000) 6.187 2.721 ( -4.386 1.168 0.000) 4.539 2.762 ( -1.012 1.041 0.000) 1.451 2.859 ( 1.598 -2.561 0.000) 3.018 2.926 ( -0.100 3.890 0.000) 3.891 3.049 ( -3.526 1.437 0.000) 3.807 3.123 ( 2.470 0.258 0.000) 2.484 3.189 ( -0.261 -4.416 0.000) 4.423 3.225 ( -1.710 -6.301 0.000) 6.529 3.307 ( 3.601 -2.153 0.000) 4.195 3.366 ( 4.158 -1.507 0.000) 4.422 4.149 ( -5.952 1.718 0.000) 6.195 4.165 ( -5.780 1.688 0.000) 6.021 4.200 ( -7.166 0.998 0.000) 7.235 4.350 ( -6.064 -4.651 0.000) 7.642 4.572 ( 0.402 0.158 0.000) 0.432 4.577 ( -3.385 -1.714 0.000) 3.794 4.678 ( -0.828 -1.485 0.000) 1.700 4.683 ( -0.659 1.223 0.000) 1.389 4.736 ( -0.905 1.294 0.000) 1.579 4.790 ( 4.890 -0.261 0.000) 4.897 5.098 ( -0.255 -0.233 0.000) 0.346 5.100 ( 0.694 1.105 0.000) 1.305 5.122 ( -0.465 1.237 0.000) 1.321 5.204 ( -1.038 -2.424 0.000) 2.637 5.291 ( 2.166 -1.632 0.000) 2.713 5.328 ( 2.608 0.296 0.000) 2.625 5.354 ( 2.245 -1.441 0.000) 2.668 5.376 ( 1.948 1.677 0.000) 2.571 5.437 ( 0.222 -0.379 0.000) 0.439 5.467 ( 1.298 -0.568 0.000) 1.417 5.484 ( -0.890 0.106 0.000) 0.896 5.526 ( -0.941 -0.517 0.000) 1.074 5.574 ( 1.347 -0.396 0.000) 1.405 5.596 ( -0.709 2.944 0.000) 3.028 5.760 ( -2.045 -1.887 0.000) 2.783 5.887 ( -1.004 0.557 0.000) 1.149 5.898 ( -1.632 -1.144 0.000) 1.993 6.105 ( 1.729 -2.588 0.000) 3.112 6.882 ( 1.014 -0.310 0.000) 1.061 6.885 ( 1.338 -0.913 0.000) 1.620 ======================= Grid point 36 (28/98) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( -5.298 17.116 0.000) 17.917 0.644 ( -8.638 15.175 0.000) 17.461 0.904 ( -1.098 -1.408 0.000) 1.785 1.033 ( -1.013 2.381 0.000) 2.588 1.122 ( -7.795 3.985 0.000) 8.755 1.143 ( -16.022 12.437 0.000) 20.282 1.230 ( -5.418 0.770 0.000) 5.472 1.329 ( -8.988 11.280 0.000) 14.422 1.416 ( -6.569 8.619 0.000) 10.837 1.631 ( -2.126 -0.131 0.000) 2.130 1.638 ( -4.845 -1.613 0.000) 5.106 1.695 ( -6.099 2.056 0.000) 6.437 1.741 ( -5.783 -3.158 0.000) 6.589 1.843 ( -4.404 -4.767 0.000) 6.490 2.001 ( -0.107 3.809 0.000) 3.810 2.083 ( 2.342 -5.753 0.000) 6.211 2.099 ( -3.356 1.097 0.000) 3.531 2.134 ( -6.910 8.359 0.000) 10.845 2.222 ( 0.300 2.489 0.000) 2.507 2.341 ( -0.712 2.622 0.000) 2.717 2.355 ( -1.895 -1.426 0.000) 2.371 2.375 ( -0.584 -0.604 0.000) 0.840 2.409 ( -2.444 2.534 0.000) 3.520 2.423 ( -2.340 -0.509 0.000) 2.395 2.500 ( -5.551 -1.127 0.000) 5.664 2.536 ( -3.478 4.382 0.000) 5.594 2.659 ( -1.498 1.154 0.000) 1.892 2.730 ( -1.043 3.163 0.000) 3.330 2.892 ( 0.081 -3.106 0.000) 3.107 2.923 ( 1.043 1.887 0.000) 2.156 3.003 ( -0.230 -0.405 0.000) 0.466 3.170 ( 3.057 2.073 0.000) 3.694 3.203 ( -0.521 -4.331 0.000) 4.362 3.231 ( -1.204 -7.187 0.000) 7.287 3.379 ( 2.305 -2.661 0.000) 3.521 3.438 ( 2.289 -2.436 0.000) 3.342 4.040 ( -4.168 1.463 0.000) 4.417 4.057 ( -6.401 1.326 0.000) 6.537 4.061 ( -3.875 1.397 0.000) 4.119 4.202 ( -13.373 -7.068 0.000) 15.126 4.534 ( -1.941 -1.896 0.000) 2.713 4.581 ( 0.354 -0.862 0.000) 0.932 4.668 ( -0.161 1.224 0.000) 1.234 4.676 ( -0.332 -1.460 0.000) 1.497 4.714 ( -0.614 1.317 0.000) 1.453 4.920 ( 7.608 -0.513 0.000) 7.626 5.110 ( 0.670 0.111 0.000) 0.679 5.116 ( 0.914 0.446 0.000) 1.017 5.124 ( 3.878 3.073 0.000) 4.948 5.205 ( -0.335 -2.436 0.000) 2.459 5.323 ( 0.727 -0.833 0.000) 1.106 5.358 ( 0.509 -0.071 0.000) 0.514 5.377 ( -2.012 -1.333 0.000) 2.413 5.403 ( 1.474 1.603 0.000) 2.178 5.424 ( 0.442 -0.101 0.000) 0.453 5.478 ( -0.157 1.714 0.000) 1.721 5.484 ( -0.229 -0.373 0.000) 0.438 5.503 ( -2.208 -1.059 0.000) 2.449 5.556 ( -0.644 4.931 0.000) 4.973 5.598 ( 0.547 -0.512 0.000) 0.749 5.752 ( 0.039 -1.528 0.000) 1.528 5.878 ( -0.613 0.882 0.000) 1.074 5.879 ( 0.216 0.965 0.000) 0.989 6.154 ( 1.606 -3.126 0.000) 3.515 6.888 ( -0.256 -0.102 0.000) 0.276 6.896 ( -0.722 -1.140 0.000) 1.350 ======================= Grid point 37 (29/98) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 0.000 20.107 0.000) 20.107 0.456 ( 0.000 19.931 0.000) 19.931 0.763 ( 0.000 34.164 0.000) 34.164 0.906 ( -0.000 -1.890 0.000) 1.890 0.976 ( 0.000 5.814 0.000) 5.814 1.044 ( 0.000 0.390 0.000) 0.390 1.203 ( -0.000 -4.929 0.000) 4.929 1.216 ( 0.000 4.960 0.000) 4.960 1.299 ( 0.000 10.664 0.000) 10.664 1.571 ( 0.000 1.099 0.000) 1.099 1.582 ( -0.000 -0.311 0.000) 0.311 1.656 ( 0.000 1.787 0.000) 1.787 1.678 ( -0.000 -2.144 0.000) 2.144 1.819 ( 0.000 2.085 0.000) 2.085 1.982 ( 0.000 6.921 0.000) 6.921 2.000 ( 0.000 1.866 0.000) 1.866 2.076 ( -0.000 -0.807 0.000) 0.807 2.147 ( -0.000 -5.756 0.000) 5.756 2.223 ( 0.000 2.395 0.000) 2.395 2.319 ( 0.000 1.254 0.000) 1.254 2.348 ( -0.000 -1.381 0.000) 1.381 2.373 ( -0.000 -1.364 0.000) 1.364 2.380 ( 0.000 2.770 0.000) 2.770 2.393 ( 0.000 0.183 0.000) 0.183 2.437 ( -0.000 -1.219 0.000) 1.219 2.484 ( 0.000 3.878 0.000) 3.878 2.640 ( 0.000 1.374 0.000) 1.374 2.698 ( 0.000 3.794 0.000) 3.794 2.906 ( -0.000 -2.746 0.000) 2.746 2.930 ( 0.000 0.583 0.000) 0.583 3.027 ( -0.000 -3.075 0.000) 3.075 3.203 ( 0.000 1.796 0.000) 1.796 3.218 ( -0.000 -3.257 0.000) 3.257 3.273 ( -0.000 -6.982 0.000) 6.982 3.416 ( -0.000 -2.301 0.000) 2.301 3.476 ( -0.000 -2.858 0.000) 2.858 3.978 ( 0.000 1.305 0.000) 1.305 3.979 ( 0.000 1.496 0.000) 1.496 3.992 ( 0.000 1.309 0.000) 1.309 4.017 ( 0.000 1.268 0.000) 1.268 4.526 ( -0.000 -2.109 0.000) 2.109 4.593 ( -0.000 -1.585 0.000) 1.585 4.660 ( 0.000 1.475 0.000) 1.475 4.680 ( -0.000 -1.317 0.000) 1.317 4.702 ( 0.000 1.020 0.000) 1.020 5.010 ( -0.000 -1.875 0.000) 1.875 5.110 ( 0.000 0.587 0.000) 0.587 5.138 ( 0.000 0.087 0.000) 0.087 5.216 ( -0.000 -2.747 0.000) 2.747 5.268 ( -0.000 -2.087 0.000) 2.087 5.329 ( -0.000 -0.554 0.000) 0.554 5.338 ( -0.000 -0.521 0.000) 0.521 5.339 ( -0.000 -0.549 0.000) 0.549 5.396 ( 0.000 1.934 0.000) 1.934 5.426 ( 0.000 0.677 0.000) 0.677 5.430 ( 0.000 0.778 0.000) 0.778 5.468 ( 0.000 0.791 0.000) 0.791 5.494 ( 0.000 0.722 0.000) 0.722 5.524 ( 0.000 5.273 0.000) 5.273 5.602 ( -0.000 -0.456 0.000) 0.456 5.758 ( -0.000 -0.308 0.000) 0.308 5.860 ( 0.000 2.847 0.000) 2.847 5.876 ( 0.000 1.164 0.000) 1.164 6.189 ( -0.000 -3.181 0.000) 3.181 6.880 ( -0.000 -0.012 0.000) 0.012 6.883 ( 0.000 0.055 0.000) 0.055 ======================= Grid point 42 (30/98) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 0.332 0.000 0.000) 0.332 1.204 ( 0.906 0.000 0.000) 0.906 1.606 ( -2.645 -0.000 0.000) 2.645 1.625 ( 2.759 0.000 0.000) 2.759 1.719 ( -3.124 -0.000 0.000) 3.124 1.794 ( -0.812 -0.000 0.000) 0.812 1.805 ( -2.577 -0.000 0.000) 2.577 1.806 ( -1.515 -0.000 0.000) 1.515 1.812 ( -3.315 -0.000 0.000) 3.315 1.822 ( -4.206 -0.000 0.000) 4.206 1.882 ( -0.345 -0.000 0.000) 0.345 1.914 ( -6.856 -0.000 0.000) 6.856 2.099 ( 0.135 0.000 0.000) 0.135 2.145 ( -0.327 -0.000 0.000) 0.327 2.230 ( 1.966 0.000 0.000) 1.966 2.236 ( -0.464 -0.000 0.000) 0.464 2.250 ( -0.537 -0.000 0.000) 0.537 2.284 ( 0.903 0.000 0.000) 0.903 2.395 ( 3.538 0.000 0.000) 3.538 2.428 ( 1.978 0.000 0.000) 1.978 2.463 ( -0.855 -0.000 0.000) 0.855 2.582 ( -3.061 -0.000 0.000) 3.061 2.634 ( -2.982 -0.000 0.000) 2.982 2.773 ( -0.440 -0.000 0.000) 0.440 2.779 ( -2.007 -0.000 0.000) 2.007 2.786 ( -2.545 -0.000 0.000) 2.545 2.816 ( 0.138 0.000 0.000) 0.138 2.833 ( 1.758 0.000 0.000) 1.758 3.075 ( 3.870 0.000 0.000) 3.870 3.107 ( -1.771 -0.000 0.000) 1.771 3.175 ( 1.729 0.000 0.000) 1.729 3.193 ( 2.740 0.000 0.000) 2.740 3.464 ( 7.673 0.000 0.000) 7.673 3.478 ( 5.872 0.000 0.000) 5.872 3.480 ( 4.183 0.000 0.000) 4.183 3.484 ( 5.294 0.000 0.000) 5.294 4.372 ( -1.258 -0.000 0.000) 1.258 4.403 ( -1.780 -0.000 0.000) 1.780 4.458 ( 2.773 0.000 0.000) 2.773 4.491 ( 1.844 0.000 0.000) 1.844 4.636 ( 2.724 0.000 0.000) 2.724 4.669 ( 2.035 0.000 0.000) 2.035 4.776 ( -0.588 -0.000 0.000) 0.588 4.787 ( -0.105 -0.000 0.000) 0.105 4.794 ( -0.192 -0.000 0.000) 0.192 4.799 ( -0.395 -0.000 0.000) 0.395 5.137 ( -0.799 -0.000 0.000) 0.799 5.141 ( -0.355 -0.000 0.000) 0.355 5.195 ( -0.972 -0.000 0.000) 0.972 5.257 ( 0.075 0.000 0.000) 0.075 5.264 ( -0.721 -0.000 0.000) 0.721 5.284 ( 1.273 0.000 0.000) 1.273 5.315 ( 0.664 0.000 0.000) 0.664 5.327 ( -2.974 -0.000 0.000) 2.974 5.348 ( -2.122 -0.000 0.000) 2.122 5.390 ( -1.891 -0.000 0.000) 1.891 5.526 ( -0.368 -0.000 0.000) 0.368 5.555 ( -0.341 -0.000 0.000) 0.341 5.907 ( -0.653 -0.000 0.000) 0.653 5.982 ( -0.399 -0.000 0.000) 0.399 6.003 ( -0.586 -0.000 0.000) 0.586 6.066 ( -0.677 -0.000 0.000) 0.677 6.104 ( 10.399 0.000 0.000) 10.399 6.110 ( 10.634 0.000 0.000) 10.634 6.417 ( -9.968 -0.000 0.000) 9.968 6.425 ( -8.948 -0.000 0.000) 8.948 ======================= Grid point 43 (31/98) ======================= q-point: (-0.69 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -0.744 -0.003 0.000) 0.744 1.214 ( 0.140 0.034 0.000) 0.145 1.524 ( -4.993 3.986 0.000) 6.389 1.617 ( -10.278 -3.718 0.000) 10.930 1.634 ( -1.424 0.201 0.000) 1.438 1.657 ( -3.044 -0.596 0.000) 3.102 1.735 ( -3.406 2.282 0.000) 4.100 1.746 ( -3.368 -1.970 0.000) 3.902 1.781 ( -6.022 0.242 0.000) 6.027 1.783 ( -1.869 -2.999 0.000) 3.533 1.863 ( 1.757 -0.735 0.000) 1.905 1.927 ( 2.633 -0.153 0.000) 2.637 2.096 ( -0.507 0.300 0.000) 0.589 2.116 ( -2.003 -0.418 0.000) 2.046 2.184 ( -6.005 0.154 0.000) 6.007 2.233 ( 0.355 -0.228 0.000) 0.422 2.275 ( 1.817 1.244 0.000) 2.202 2.284 ( 1.276 -0.130 0.000) 1.283 2.462 ( 1.904 0.253 0.000) 1.920 2.472 ( 3.715 0.166 0.000) 3.719 2.476 ( 1.394 -1.016 0.000) 1.725 2.519 ( -3.857 -0.475 0.000) 3.886 2.637 ( 2.960 0.051 0.000) 2.960 2.759 ( 0.663 1.297 0.000) 1.456 2.764 ( 0.331 0.652 0.000) 0.731 2.793 ( 2.387 -0.941 0.000) 2.565 2.829 ( 1.018 0.129 0.000) 1.026 2.889 ( 3.004 0.120 0.000) 3.006 3.065 ( -2.531 0.024 0.000) 2.531 3.146 ( 3.353 0.077 0.000) 3.354 3.188 ( -0.660 -0.121 0.000) 0.671 3.231 ( 0.912 0.211 0.000) 0.936 3.486 ( -3.136 0.807 0.000) 3.238 3.505 ( -2.337 1.354 0.000) 2.701 3.515 ( -1.921 -0.391 0.000) 1.960 3.534 ( -0.926 -0.891 0.000) 1.285 4.354 ( -0.622 -0.251 0.000) 0.671 4.374 ( -1.170 -0.286 0.000) 1.204 4.497 ( 1.092 0.136 0.000) 1.101 4.510 ( 0.113 -0.007 0.000) 0.113 4.683 ( 2.136 1.092 0.000) 2.399 4.713 ( 2.504 1.031 0.000) 2.708 4.758 ( -0.857 0.503 0.000) 0.994 4.772 ( -1.658 -1.194 0.000) 2.044 4.774 ( -0.967 1.330 0.000) 1.645 4.793 ( -0.977 -1.958 0.000) 2.188 5.113 ( -1.378 -0.116 0.000) 1.383 5.133 ( -0.715 0.349 0.000) 0.795 5.162 ( -1.728 -0.732 0.000) 1.876 5.243 ( -1.647 -0.259 0.000) 1.667 5.251 ( -1.226 -0.164 0.000) 1.237 5.280 ( -1.288 -0.224 0.000) 1.307 5.294 ( -0.509 0.144 0.000) 0.529 5.304 ( -1.893 0.712 0.000) 2.022 5.326 ( -0.116 -0.819 0.000) 0.828 5.364 ( -0.838 -0.201 0.000) 0.861 5.526 ( 0.375 -0.060 0.000) 0.380 5.552 ( -0.077 0.043 0.000) 0.088 5.878 ( -1.925 -0.116 0.000) 1.929 5.961 ( -2.499 -0.049 0.000) 2.499 5.990 ( -0.550 -0.081 0.000) 0.556 6.055 ( -0.564 -0.020 0.000) 0.564 6.108 ( -10.949 0.026 0.000) 10.949 6.123 ( -8.521 0.049 0.000) 8.521 6.403 ( 9.233 -0.066 0.000) 9.234 6.426 ( 9.063 -0.002 0.000) 9.063 ======================= Grid point 44 (32/98) ======================= q-point: (-0.62 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -1.608 -0.076 0.000) 1.610 1.205 ( -1.025 0.349 0.000) 1.083 1.393 ( -7.136 -1.881 0.000) 7.379 1.483 ( -6.249 -4.464 0.000) 7.680 1.573 ( -4.489 1.739 0.000) 4.814 1.612 ( -2.620 -1.982 0.000) 3.285 1.666 ( -3.101 -1.291 0.000) 3.359 1.675 ( -4.992 -0.844 0.000) 5.063 1.712 ( -2.704 -2.776 0.000) 3.876 1.757 ( -2.242 -2.660 0.000) 3.478 1.886 ( -0.360 0.961 0.000) 1.026 1.967 ( 1.559 0.412 0.000) 1.612 2.040 ( -5.103 -2.397 0.000) 5.638 2.075 ( -1.383 0.966 0.000) 1.687 2.114 ( -0.737 0.196 0.000) 0.763 2.243 ( 0.453 -0.151 0.000) 0.478 2.272 ( 0.487 2.557 0.000) 2.603 2.354 ( 3.639 0.307 0.000) 3.652 2.435 ( -4.189 -0.982 0.000) 4.302 2.497 ( 1.264 1.426 0.000) 1.906 2.526 ( 1.425 -1.066 0.000) 1.779 2.528 ( 2.393 -2.904 0.000) 3.763 2.695 ( 2.512 0.173 0.000) 2.518 2.778 ( 1.259 0.738 0.000) 1.459 2.787 ( 2.165 0.189 0.000) 2.174 2.862 ( 4.112 -0.038 0.000) 4.112 2.865 ( 3.102 -0.247 0.000) 3.112 2.936 ( 2.328 1.381 0.000) 2.706 3.011 ( -3.064 0.115 0.000) 3.067 3.143 ( -4.121 -0.208 0.000) 4.126 3.194 ( 1.511 0.410 0.000) 1.566 3.215 ( -2.519 1.097 0.000) 2.748 3.363 ( -8.757 0.880 0.000) 8.801 3.391 ( -8.075 1.401 0.000) 8.195 3.433 ( -5.655 0.864 0.000) 5.721 3.454 ( -6.581 1.349 0.000) 6.718 4.350 ( -0.262 -0.594 0.000) 0.649 4.361 ( -0.720 -0.893 0.000) 1.147 4.489 ( -1.644 0.742 0.000) 1.804 4.495 ( -1.487 0.162 0.000) 1.496 4.676 ( -1.527 3.736 0.000) 4.036 4.713 ( -1.285 3.388 0.000) 3.623 4.744 ( -1.953 -2.256 0.000) 2.984 4.761 ( 1.085 -0.075 0.000) 1.088 4.774 ( -2.297 -1.801 0.000) 2.919 4.780 ( 1.765 -0.057 0.000) 1.766 5.101 ( 0.002 -0.567 0.000) 0.567 5.111 ( -0.253 1.386 0.000) 1.409 5.163 ( 0.432 -3.493 0.000) 3.520 5.207 ( -2.211 -1.827 0.000) 2.868 5.215 ( -2.574 -0.241 0.000) 2.585 5.265 ( -1.715 0.435 0.000) 1.770 5.270 ( -1.606 0.262 0.000) 1.627 5.277 ( 0.297 -1.051 0.000) 1.092 5.327 ( -0.065 -0.725 0.000) 0.728 5.356 ( -0.481 -0.675 0.000) 0.829 5.542 ( 1.137 0.023 0.000) 1.137 5.548 ( -0.271 -0.027 0.000) 0.272 5.825 ( -7.519 -0.110 0.000) 7.520 5.833 ( -8.571 -0.842 0.000) 8.612 5.888 ( -8.379 -0.057 0.000) 8.379 5.988 ( 0.282 -0.241 0.000) 0.370 6.009 ( -2.785 0.033 0.000) 2.785 6.040 ( -1.215 -0.338 0.000) 1.261 6.588 ( 8.915 -0.163 0.000) 8.916 6.608 ( 8.760 -0.048 0.000) 8.760 ======================= Grid point 45 (33/98) ======================= q-point: (-0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -2.294 -0.103 0.000) 2.297 1.170 ( -2.309 0.600 0.000) 2.386 1.260 ( -8.789 -3.526 0.000) 9.469 1.451 ( 0.083 -5.974 0.000) 5.975 1.451 ( -6.411 3.956 0.000) 7.534 1.577 ( -2.378 -1.786 0.000) 2.974 1.601 ( -3.794 -3.087 0.000) 4.891 1.610 ( -4.276 -3.321 0.000) 5.414 1.624 ( -8.473 -4.535 0.000) 9.610 1.736 ( -1.875 -4.329 0.000) 4.718 1.829 ( -3.073 4.422 0.000) 5.385 1.972 ( -1.820 0.501 0.000) 1.888 2.028 ( -2.709 2.174 0.000) 3.473 2.029 ( 1.674 -4.764 0.000) 5.049 2.120 ( 1.183 -0.329 0.000) 1.228 2.253 ( 0.326 -0.206 0.000) 0.386 2.253 ( -1.428 3.547 0.000) 3.823 2.351 ( -2.175 -1.291 0.000) 2.529 2.432 ( 1.219 -1.277 0.000) 1.765 2.438 ( -6.798 1.104 0.000) 6.887 2.551 ( 0.451 -0.738 0.000) 0.865 2.593 ( 2.007 -3.333 0.000) 3.890 2.724 ( 0.192 0.170 0.000) 0.257 2.776 ( -0.997 1.201 0.000) 1.561 2.802 ( -1.787 -0.624 0.000) 1.893 2.916 ( -2.041 0.353 0.000) 2.072 2.938 ( 3.331 0.398 0.000) 3.355 2.947 ( -0.819 2.178 0.000) 2.327 2.988 ( 2.847 0.746 0.000) 2.944 3.051 ( -4.784 0.979 0.000) 4.883 3.091 ( -8.617 4.853 0.000) 9.890 3.172 ( -8.915 0.325 0.000) 8.921 3.183 ( -3.213 -0.274 0.000) 3.224 3.243 ( -4.563 -0.020 0.000) 4.563 3.314 ( -5.429 2.433 0.000) 5.949 3.323 ( -4.497 2.045 0.000) 4.940 4.337 ( -1.740 -0.494 0.000) 1.809 4.345 ( -1.840 -1.150 0.000) 2.170 4.433 ( -3.597 1.361 0.000) 3.846 4.455 ( -2.499 0.465 0.000) 2.542 4.618 ( -2.014 2.824 0.000) 3.469 4.666 ( -1.821 1.577 0.000) 2.408 4.715 ( -2.317 -1.814 0.000) 2.942 4.726 ( -3.122 -0.927 0.000) 3.257 4.777 ( 0.390 0.697 0.000) 0.798 4.798 ( -0.234 0.883 0.000) 0.913 5.106 ( 0.119 0.477 0.000) 0.492 5.126 ( 2.560 1.247 0.000) 2.847 5.162 ( -2.793 -0.206 0.000) 2.801 5.193 ( -1.015 -4.008 0.000) 4.135 5.206 ( 1.270 -3.780 0.000) 3.988 5.232 ( -1.396 -0.082 0.000) 1.398 5.245 ( 0.313 0.459 0.000) 0.555 5.310 ( 2.097 -2.133 0.000) 2.991 5.333 ( 0.117 -0.044 0.000) 0.125 5.360 ( 0.901 -2.119 0.000) 2.303 5.533 ( -1.110 -0.185 0.000) 1.126 5.574 ( 1.984 0.179 0.000) 1.992 5.650 ( -7.372 -0.079 0.000) 7.372 5.662 ( -7.919 -0.277 0.000) 7.924 5.823 ( -2.514 -1.378 0.000) 2.866 5.964 ( -2.481 -0.352 0.000) 2.506 5.986 ( -1.410 0.701 0.000) 1.574 6.023 ( -0.295 -1.680 0.000) 1.706 6.734 ( 6.168 -0.279 0.000) 6.174 6.749 ( 5.971 -0.137 0.000) 5.973 ======================= Grid point 46 (34/98) ======================= q-point: (-0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -2.600 0.002 0.000) 2.600 1.099 ( -7.544 4.212 0.000) 8.640 1.115 ( -3.039 0.759 0.000) 3.132 1.286 ( -7.688 6.799 0.000) 10.263 1.433 ( -9.119 -4.240 0.000) 10.057 1.497 ( -5.316 2.895 0.000) 6.053 1.538 ( -0.526 -6.294 0.000) 6.316 1.580 ( -0.610 -4.454 0.000) 4.496 1.581 ( -1.438 -5.382 0.000) 5.570 1.712 ( -3.994 -5.324 0.000) 6.655 1.734 ( -4.512 0.348 0.000) 4.525 1.904 ( -4.737 -0.953 0.000) 4.832 1.958 ( -2.848 2.424 0.000) 3.740 2.097 ( 0.743 -3.678 0.000) 3.752 2.144 ( 0.539 0.944 0.000) 1.087 2.163 ( -6.683 1.889 0.000) 6.945 2.209 ( -7.930 0.103 0.000) 7.931 2.287 ( -4.112 0.339 0.000) 4.126 2.341 ( 0.112 -1.294 0.000) 1.299 2.420 ( -3.554 -2.523 0.000) 4.359 2.532 ( -3.039 0.053 0.000) 3.039 2.611 ( -1.806 -1.163 0.000) 2.148 2.655 ( -6.158 5.447 0.000) 8.222 2.750 ( -4.269 2.193 0.000) 4.799 2.761 ( -1.296 -0.644 0.000) 1.447 2.808 ( -8.267 2.299 0.000) 8.581 2.837 ( -5.605 5.911 0.000) 8.146 2.852 ( -6.311 3.460 0.000) 7.197 2.866 ( -8.343 5.503 0.000) 9.995 2.993 ( 0.461 2.367 0.000) 2.411 3.074 ( 1.317 -0.879 0.000) 1.584 3.121 ( 0.451 -3.414 0.000) 3.444 3.123 ( -2.261 -0.477 0.000) 2.311 3.201 ( -3.686 -2.826 0.000) 4.644 3.254 ( -1.327 0.469 0.000) 1.407 3.268 ( 2.734 -0.358 0.000) 2.757 4.277 ( -4.565 0.527 0.000) 4.596 4.289 ( -4.476 0.113 0.000) 4.478 4.339 ( -5.376 1.486 0.000) 5.577 4.396 ( -3.718 -0.620 0.000) 3.769 4.582 ( -0.619 1.220 0.000) 1.368 4.621 ( -3.328 -1.149 0.000) 3.521 4.680 ( -2.092 -1.766 0.000) 2.738 4.694 ( 0.393 0.258 0.000) 0.471 4.764 ( -2.075 0.522 0.000) 2.140 4.770 ( -0.470 1.060 0.000) 1.160 5.103 ( 0.180 0.701 0.000) 0.724 5.117 ( -1.932 -0.163 0.000) 1.939 5.155 ( -0.387 1.167 0.000) 1.230 5.189 ( -1.376 -2.783 0.000) 3.104 5.219 ( 2.278 -0.677 0.000) 2.376 5.276 ( 2.943 -2.282 0.000) 3.724 5.279 ( 3.000 0.374 0.000) 3.023 5.347 ( 1.815 -0.107 0.000) 1.818 5.377 ( 3.494 -1.811 0.000) 3.936 5.412 ( 2.781 -1.560 0.000) 3.188 5.507 ( -1.820 -0.564 0.000) 1.906 5.557 ( -2.694 0.217 0.000) 2.703 5.566 ( -2.320 -0.459 0.000) 2.365 5.611 ( 1.861 0.805 0.000) 2.028 5.778 ( -3.092 -2.055 0.000) 3.713 5.918 ( -2.379 -0.764 0.000) 2.499 5.935 ( -2.768 0.619 0.000) 2.836 6.043 ( 1.006 -1.893 0.000) 2.143 6.828 ( 3.498 -0.456 0.000) 3.528 6.838 ( 3.230 -0.233 0.000) 3.238 ======================= Grid point 47 (35/98) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -2.261 0.785 0.000) 2.394 0.934 ( -4.763 12.993 0.000) 13.838 1.028 ( -6.033 4.443 0.000) 7.493 1.117 ( -4.122 6.523 0.000) 7.716 1.278 ( -8.002 -2.750 0.000) 8.461 1.356 ( -7.237 5.117 0.000) 8.863 1.480 ( -8.291 3.045 0.000) 8.833 1.570 ( 0.252 -2.463 0.000) 2.475 1.588 ( -1.681 -3.318 0.000) 3.719 1.637 ( -4.199 -1.058 0.000) 4.330 1.744 ( -0.930 -9.493 0.000) 9.539 1.826 ( -3.136 -3.096 0.000) 4.407 1.884 ( -6.107 1.913 0.000) 6.400 1.888 ( -15.050 6.594 0.000) 16.431 2.013 ( -5.499 -2.455 0.000) 6.022 2.117 ( -5.492 4.771 0.000) 7.275 2.149 ( -1.996 -3.595 0.000) 4.112 2.246 ( -0.216 0.664 0.000) 0.698 2.358 ( 0.610 -0.684 0.000) 0.916 2.365 ( -2.669 -2.518 0.000) 3.669 2.432 ( -5.757 1.698 0.000) 6.002 2.458 ( -8.098 9.300 0.000) 12.331 2.533 ( -5.413 2.573 0.000) 5.993 2.585 ( -6.983 7.185 0.000) 10.019 2.616 ( -7.430 2.557 0.000) 7.858 2.694 ( -4.526 5.359 0.000) 7.015 2.738 ( -4.202 2.027 0.000) 4.666 2.771 ( -0.163 0.796 0.000) 0.813 2.830 ( 0.794 -2.628 0.000) 2.745 2.974 ( -0.115 4.752 0.000) 4.754 3.052 ( -3.883 -0.856 0.000) 3.976 3.118 ( 1.068 -1.497 0.000) 1.839 3.137 ( -1.190 -5.268 0.000) 5.401 3.151 ( -3.134 -7.124 0.000) 7.783 3.280 ( 2.480 -2.825 0.000) 3.759 3.351 ( 3.955 -1.118 0.000) 4.110 4.167 ( -5.876 1.569 0.000) 6.082 4.183 ( -5.660 1.513 0.000) 5.859 4.212 ( -7.108 1.073 0.000) 7.188 4.307 ( -7.145 -3.224 0.000) 7.838 4.560 ( -3.351 -1.461 0.000) 3.656 4.574 ( -0.002 0.253 0.000) 0.253 4.660 ( -0.936 -1.817 0.000) 2.044 4.695 ( -0.894 1.017 0.000) 1.354 4.752 ( -0.685 1.462 0.000) 1.615 4.782 ( 4.730 -1.011 0.000) 4.837 5.095 ( -0.363 -0.277 0.000) 0.456 5.110 ( 1.089 0.831 0.000) 1.370 5.131 ( -1.011 0.307 0.000) 1.057 5.180 ( -0.772 -2.070 0.000) 2.209 5.276 ( 2.494 -0.935 0.000) 2.663 5.332 ( 2.319 0.457 0.000) 2.363 5.343 ( 2.900 -0.497 0.000) 2.942 5.393 ( 2.761 1.383 0.000) 3.088 5.432 ( 0.384 -0.389 0.000) 0.546 5.462 ( 1.794 -0.381 0.000) 1.834 5.484 ( 0.168 -0.244 0.000) 0.297 5.524 ( -1.144 0.015 0.000) 1.144 5.567 ( 1.282 -0.748 0.000) 1.484 5.625 ( 0.396 2.438 0.000) 2.470 5.737 ( -1.995 -2.214 0.000) 2.980 5.891 ( -0.629 -0.255 0.000) 0.679 5.893 ( -0.936 0.540 0.000) 1.081 6.078 ( 1.487 -2.300 0.000) 2.739 6.876 ( 1.277 -0.654 0.000) 1.435 6.879 ( 1.066 -0.258 0.000) 1.097 ======================= Grid point 48 (36/98) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( -2.718 17.693 0.000) 17.900 0.797 ( -4.516 11.937 0.000) 12.763 0.899 ( -2.274 1.536 0.000) 2.744 1.060 ( -0.438 3.080 0.000) 3.111 1.172 ( -3.715 0.205 0.000) 3.720 1.176 ( -7.739 5.612 0.000) 9.559 1.304 ( -5.655 7.272 0.000) 9.211 1.496 ( -11.138 17.092 0.000) 20.401 1.501 ( -3.549 7.071 0.000) 7.911 1.614 ( -4.111 -2.796 0.000) 4.972 1.625 ( -0.855 -1.237 0.000) 1.504 1.714 ( -5.127 -0.440 0.000) 5.146 1.714 ( -5.794 0.179 0.000) 5.797 1.788 ( -5.529 -4.996 0.000) 7.452 2.018 ( 1.342 -5.829 0.000) 5.981 2.020 ( -0.216 0.694 0.000) 0.727 2.094 ( -4.063 -1.446 0.000) 4.312 2.240 ( -0.716 4.196 0.000) 4.257 2.260 ( -5.067 9.716 0.000) 10.958 2.336 ( -1.325 -1.711 0.000) 2.163 2.370 ( 0.016 1.471 0.000) 1.472 2.370 ( -0.990 -0.079 0.000) 0.993 2.428 ( -3.299 1.847 0.000) 3.781 2.440 ( -3.988 3.008 0.000) 4.995 2.502 ( -4.528 1.947 0.000) 4.928 2.588 ( -3.304 5.339 0.000) 6.279 2.671 ( -1.729 1.229 0.000) 2.121 2.760 ( -0.331 2.379 0.000) 2.402 2.853 ( -0.425 -4.094 0.000) 4.116 2.953 ( 0.368 3.575 0.000) 3.594 2.998 ( -1.237 -0.423 0.000) 1.308 3.136 ( -1.512 -9.540 0.000) 9.659 3.149 ( -0.453 -5.620 0.000) 5.638 3.174 ( 1.833 -2.252 0.000) 2.903 3.344 ( 1.885 -3.874 0.000) 4.309 3.416 ( 2.075 -1.505 0.000) 2.563 4.057 ( -4.326 1.629 0.000) 4.622 4.071 ( -6.095 1.342 0.000) 6.241 4.077 ( -4.094 1.540 0.000) 4.374 4.150 ( -10.738 -3.028 0.000) 11.157 4.517 ( -1.870 -1.399 0.000) 2.335 4.575 ( 0.054 -0.291 0.000) 0.296 4.659 ( -0.296 -1.664 0.000) 1.690 4.678 ( -0.298 0.683 0.000) 0.746 4.731 ( -0.493 1.781 0.000) 1.848 4.907 ( 6.424 -1.589 0.000) 6.617 5.106 ( 0.913 -0.750 0.000) 1.181 5.120 ( -0.054 -0.048 0.000) 0.072 5.144 ( 3.356 0.769 0.000) 3.442 5.183 ( -0.075 -1.735 0.000) 1.737 5.316 ( 1.202 -0.552 0.000) 1.323 5.354 ( -0.214 -0.575 0.000) 0.614 5.365 ( -1.592 -0.987 0.000) 1.873 5.421 ( 0.956 1.711 0.000) 1.959 5.428 ( 0.930 0.784 0.000) 1.216 5.480 ( -1.409 -0.163 0.000) 1.418 5.493 ( -0.075 1.136 0.000) 1.138 5.498 ( -0.731 -0.259 0.000) 0.776 5.593 ( 0.847 -0.392 0.000) 0.933 5.609 ( 0.239 4.679 0.000) 4.685 5.737 ( 0.778 -1.182 0.000) 1.415 5.890 ( 0.527 0.967 0.000) 1.101 5.894 ( 0.999 1.775 0.000) 2.037 6.121 ( 1.323 -2.986 0.000) 3.267 6.886 ( -0.201 -0.269 0.000) 0.336 6.888 ( -0.262 -0.415 0.000) 0.491 ======================= Grid point 49 (37/98) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 0.000 18.349 0.000) 18.349 0.657 ( 0.000 17.321 0.000) 17.321 0.888 ( -0.000 -1.365 0.000) 1.365 1.044 ( 0.000 6.664 0.000) 6.664 1.056 ( 0.000 1.864 0.000) 1.864 1.097 ( 0.000 21.440 0.000) 21.440 1.192 ( 0.000 9.486 0.000) 9.486 1.275 ( 0.000 5.908 0.000) 5.908 1.415 ( 0.000 10.648 0.000) 10.648 1.578 ( -0.000 -0.584 0.000) 0.584 1.584 ( 0.000 1.303 0.000) 1.303 1.660 ( -0.000 -0.934 0.000) 0.934 1.669 ( 0.000 0.363 0.000) 0.363 1.781 ( -0.000 -6.895 0.000) 6.895 2.016 ( 0.000 0.936 0.000) 0.936 2.063 ( -0.000 -1.785 0.000) 1.785 2.075 ( -0.000 -7.103 0.000) 7.103 2.111 ( 0.000 14.491 0.000) 14.491 2.250 ( 0.000 2.476 0.000) 2.476 2.332 ( -0.000 -1.569 0.000) 1.569 2.348 ( 0.000 3.542 0.000) 3.542 2.358 ( -0.000 -1.326 0.000) 1.326 2.394 ( 0.000 0.075 0.000) 0.075 2.419 ( 0.000 4.481 0.000) 4.481 2.423 ( -0.000 -1.334 0.000) 1.334 2.529 ( 0.000 4.584 0.000) 4.584 2.652 ( 0.000 0.851 0.000) 0.851 2.739 ( 0.000 3.501 0.000) 3.501 2.868 ( -0.000 -4.186 0.000) 4.186 2.944 ( 0.000 2.029 0.000) 2.029 3.001 ( -0.000 -1.805 0.000) 1.805 3.174 ( -0.000 -4.842 0.000) 4.842 3.175 ( -0.000 -9.215 0.000) 9.215 3.214 ( -0.000 -2.047 0.000) 2.047 3.384 ( -0.000 -3.689 0.000) 3.689 3.446 ( -0.000 -2.339 0.000) 2.339 3.993 ( 0.000 1.524 0.000) 1.524 3.997 ( 0.000 1.783 0.000) 1.783 4.008 ( 0.000 1.638 0.000) 1.638 4.033 ( 0.000 1.566 0.000) 1.566 4.506 ( -0.000 -1.589 0.000) 1.589 4.579 ( -0.000 -0.853 0.000) 0.853 4.665 ( -0.000 -1.529 0.000) 1.529 4.672 ( 0.000 0.816 0.000) 0.816 4.716 ( 0.000 1.697 0.000) 1.697 4.988 ( -0.000 -2.184 0.000) 2.184 5.114 ( -0.000 -0.082 0.000) 0.082 5.132 ( -0.000 -0.957 0.000) 0.957 5.189 ( -0.000 -2.157 0.000) 2.157 5.240 ( -0.000 -2.999 0.000) 2.999 5.322 ( -0.000 -0.612 0.000) 0.612 5.333 ( -0.000 -0.583 0.000) 0.583 5.336 ( -0.000 -0.018 0.000) 0.018 5.418 ( 0.000 2.108 0.000) 2.108 5.434 ( 0.000 0.739 0.000) 0.739 5.439 ( 0.000 0.841 0.000) 0.841 5.479 ( 0.000 1.328 0.000) 1.328 5.500 ( 0.000 0.387 0.000) 0.387 5.585 ( 0.000 5.687 0.000) 5.687 5.602 ( 0.000 0.302 0.000) 0.302 5.754 ( -0.000 -0.493 0.000) 0.493 5.890 ( 0.000 1.328 0.000) 1.328 5.893 ( 0.000 3.057 0.000) 3.057 6.153 ( -0.000 -3.435 0.000) 3.435 6.880 ( -0.000 -0.009 0.000) 0.009 6.884 ( 0.000 0.062 0.000) 0.062 ======================= Grid point 56 (38/98) ======================= q-point: (-0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -1.617 -0.000 0.000) 1.617 1.207 ( -0.963 -0.000 0.000) 0.963 1.384 ( -10.346 -0.000 0.000) 10.346 1.457 ( -3.936 -0.000 0.000) 3.936 1.590 ( -3.236 -0.000 0.000) 3.236 1.593 ( -3.305 -0.000 0.000) 3.305 1.659 ( -4.341 -0.000 0.000) 4.341 1.671 ( -5.315 -0.000 0.000) 5.315 1.696 ( -2.907 -0.000 0.000) 2.907 1.741 ( -1.870 -0.000 0.000) 1.870 1.892 ( 0.960 0.000 0.000) 0.960 1.969 ( 1.096 0.000 0.000) 1.096 2.026 ( -5.288 -0.000 0.000) 5.288 2.081 ( -1.193 -0.000 0.000) 1.193 2.115 ( -1.009 -0.000 0.000) 1.009 2.242 ( 0.436 0.000 0.000) 0.436 2.288 ( 0.644 0.000 0.000) 0.644 2.356 ( 3.930 0.000 0.000) 3.930 2.430 ( -4.836 -0.000 0.000) 4.836 2.508 ( 2.533 0.000 0.000) 2.533 2.511 ( 2.408 0.000 0.000) 2.408 2.517 ( 0.048 0.000 0.000) 0.048 2.696 ( 2.454 0.000 0.000) 2.454 2.782 ( 1.388 0.000 0.000) 1.388 2.788 ( 1.818 0.000 0.000) 1.818 2.862 ( 4.326 0.000 0.000) 4.326 2.864 ( 2.956 0.000 0.000) 2.956 2.943 ( 2.339 0.000 0.000) 2.339 3.011 ( -3.027 -0.000 0.000) 3.027 3.142 ( -4.119 -0.000 0.000) 4.119 3.196 ( 1.518 0.000 0.000) 1.518 3.221 ( -2.170 -0.000 0.000) 2.170 3.368 ( -8.860 -0.000 0.000) 8.860 3.399 ( -8.389 -0.000 0.000) 8.389 3.437 ( -5.295 -0.000 0.000) 5.295 3.461 ( -5.957 -0.000 0.000) 5.957 4.346 ( -0.247 -0.000 0.000) 0.247 4.356 ( -0.770 -0.000 0.000) 0.770 4.493 ( -1.580 -0.000 0.000) 1.580 4.496 ( -1.461 -0.000 0.000) 1.461 4.712 ( -0.120 -0.000 0.000) 0.120 4.717 ( -3.298 -0.000 0.000) 3.298 4.747 ( -2.666 -0.000 0.000) 2.666 4.749 ( -0.858 -0.000 0.000) 0.858 4.761 ( 1.204 0.000 0.000) 1.204 4.780 ( 1.879 0.000 0.000) 1.879 5.097 ( 0.122 0.000 0.000) 0.122 5.130 ( 0.422 0.000 0.000) 0.422 5.132 ( -0.489 -0.000 0.000) 0.489 5.197 ( -2.730 -0.000 0.000) 2.730 5.213 ( -2.546 -0.000 0.000) 2.546 5.268 ( -1.746 -0.000 0.000) 1.746 5.270 ( -0.271 -0.000 0.000) 0.271 5.273 ( -1.253 -0.000 0.000) 1.253 5.322 ( 0.003 0.000 0.000) 0.003 5.352 ( -0.570 -0.000 0.000) 0.570 5.542 ( 1.334 0.000 0.000) 1.334 5.548 ( -0.455 -0.000 0.000) 0.455 5.824 ( -5.524 -0.000 0.000) 5.524 5.829 ( -10.391 -0.000 0.000) 10.391 5.888 ( -8.657 -0.000 0.000) 8.657 5.987 ( 0.343 0.000 0.000) 0.343 6.009 ( -2.873 -0.000 0.000) 2.873 6.038 ( -1.342 -0.000 0.000) 1.342 6.587 ( 8.909 0.000 0.000) 8.909 6.607 ( 8.746 0.000 0.000) 8.746 ======================= Grid point 58 (39/98) ======================= q-point: (-0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -2.273 -0.035 0.000) 2.273 1.175 ( -2.339 0.213 0.000) 2.348 1.236 ( -5.365 -1.010 0.000) 5.459 1.402 ( -1.999 -2.575 0.000) 3.259 1.496 ( -4.911 4.375 0.000) 6.577 1.543 ( -3.282 -4.205 0.000) 5.334 1.579 ( -4.523 -1.022 0.000) 4.637 1.590 ( -8.505 -1.627 0.000) 8.659 1.592 ( -2.985 -0.403 0.000) 3.012 1.703 ( -2.684 -1.705 0.000) 3.180 1.880 ( -1.316 4.330 0.000) 4.526 1.959 ( -1.733 -3.149 0.000) 3.595 1.994 ( -0.321 -0.970 0.000) 1.022 2.046 ( -2.391 0.909 0.000) 2.558 2.118 ( 1.598 -0.067 0.000) 1.599 2.251 ( 0.420 -0.074 0.000) 0.427 2.290 ( -0.995 3.104 0.000) 3.260 2.328 ( -3.733 -2.579 0.000) 4.538 2.425 ( 1.200 -0.188 0.000) 1.214 2.445 ( -7.375 0.239 0.000) 7.379 2.546 ( 1.033 -0.150 0.000) 1.044 2.566 ( 2.638 -1.372 0.000) 2.974 2.725 ( 0.597 -0.029 0.000) 0.597 2.785 ( -1.513 0.385 0.000) 1.561 2.798 ( -1.783 -0.156 0.000) 1.790 2.918 ( -1.986 0.081 0.000) 1.987 2.941 ( 3.510 0.134 0.000) 3.513 2.966 ( -0.032 1.104 0.000) 1.105 2.990 ( 4.105 -0.163 0.000) 4.108 3.059 ( -3.058 0.401 0.000) 3.085 3.138 ( -6.462 3.353 0.000) 7.280 3.174 ( -10.350 0.045 0.000) 10.350 3.175 ( -5.492 -1.233 0.000) 5.629 3.239 ( -5.001 -0.378 0.000) 5.015 3.332 ( -6.400 0.916 0.000) 6.465 3.338 ( -4.657 0.710 0.000) 4.711 4.333 ( -1.512 -0.194 0.000) 1.524 4.336 ( -1.681 -0.456 0.000) 1.741 4.442 ( -3.507 0.459 0.000) 3.537 4.458 ( -2.432 0.149 0.000) 2.437 4.646 ( -2.881 2.028 0.000) 3.523 4.680 ( -3.470 0.917 0.000) 3.589 4.695 ( -2.080 -1.581 0.000) 2.613 4.717 ( -2.264 -0.628 0.000) 2.350 4.783 ( 0.597 0.321 0.000) 0.678 4.805 ( -0.087 0.420 0.000) 0.429 5.114 ( 1.145 0.994 0.000) 1.516 5.144 ( 2.609 1.937 0.000) 3.249 5.156 ( -1.483 -2.404 0.000) 2.825 5.161 ( -2.651 -0.035 0.000) 2.652 5.169 ( 2.240 -2.910 0.000) 3.672 5.231 ( -2.079 -0.032 0.000) 2.079 5.250 ( 0.286 0.279 0.000) 0.400 5.293 ( 1.987 -0.863 0.000) 2.166 5.333 ( 0.190 0.021 0.000) 0.192 5.343 ( 0.755 -0.880 0.000) 1.159 5.532 ( -1.233 -0.049 0.000) 1.234 5.576 ( 2.117 0.067 0.000) 2.118 5.649 ( -7.272 -0.020 0.000) 7.272 5.660 ( -7.858 -0.123 0.000) 7.859 5.813 ( -2.722 -0.486 0.000) 2.765 5.961 ( -2.607 -0.122 0.000) 2.610 5.994 ( -0.994 0.960 0.000) 1.382 6.007 ( -0.723 -1.313 0.000) 1.499 6.732 ( 6.145 -0.098 0.000) 6.146 6.748 ( 5.946 -0.049 0.000) 5.947 ======================= Grid point 59 (40/98) ======================= q-point: (-0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -2.539 -0.019 0.000) 2.539 1.121 ( -2.914 0.409 0.000) 2.942 1.163 ( -1.348 7.080 0.000) 7.207 1.362 ( -5.848 7.163 0.000) 9.247 1.396 ( -6.107 -2.905 0.000) 6.763 1.456 ( -2.027 -8.053 0.000) 8.304 1.509 ( -4.054 -4.988 0.000) 6.427 1.521 ( -2.180 -4.497 0.000) 4.998 1.539 ( -1.264 1.775 0.000) 2.179 1.660 ( -3.422 -4.265 0.000) 5.468 1.781 ( -6.771 6.151 0.000) 9.148 1.891 ( -4.501 -1.546 0.000) 4.759 1.981 ( -3.291 1.716 0.000) 3.712 2.046 ( 2.263 -4.783 0.000) 5.292 2.160 ( 1.970 1.462 0.000) 2.453 2.181 ( -8.231 1.206 0.000) 8.319 2.209 ( -9.162 -0.029 0.000) 9.162 2.287 ( -4.048 -0.138 0.000) 4.050 2.324 ( 0.316 -1.637 0.000) 1.667 2.399 ( -3.799 -1.370 0.000) 4.038 2.534 ( -2.486 0.317 0.000) 2.506 2.603 ( -0.018 -0.448 0.000) 0.448 2.700 ( -3.755 3.233 0.000) 4.955 2.749 ( -1.343 -1.402 0.000) 1.942 2.755 ( -1.116 -0.346 0.000) 1.168 2.824 ( -6.730 0.628 0.000) 6.759 2.898 ( -7.214 4.334 0.000) 8.416 2.917 ( -7.715 7.872 0.000) 11.022 2.920 ( -6.755 4.124 0.000) 7.915 3.016 ( 1.016 2.099 0.000) 2.333 3.052 ( -2.728 -3.388 0.000) 4.350 3.082 ( -0.549 -3.783 0.000) 3.823 3.110 ( -1.614 -1.922 0.000) 2.509 3.178 ( -4.305 -1.172 0.000) 4.462 3.258 ( -2.931 0.279 0.000) 2.944 3.264 ( 1.656 -0.323 0.000) 1.687 4.281 ( -4.076 0.165 0.000) 4.079 4.287 ( -3.772 -0.286 0.000) 3.782 4.353 ( -5.527 1.003 0.000) 5.617 4.394 ( -4.536 0.032 0.000) 4.536 4.596 ( -1.372 1.217 0.000) 1.834 4.610 ( -3.833 -0.786 0.000) 3.912 4.661 ( -2.092 -1.652 0.000) 2.665 4.695 ( 0.551 0.059 0.000) 0.554 4.770 ( -2.653 0.439 0.000) 2.690 4.780 ( -0.389 0.695 0.000) 0.797 5.114 ( 0.174 1.346 0.000) 1.357 5.116 ( -1.891 -0.027 0.000) 1.891 5.160 ( -0.583 -2.545 0.000) 2.611 5.162 ( -1.506 0.106 0.000) 1.510 5.219 ( 2.761 0.655 0.000) 2.838 5.256 ( 4.307 -1.558 0.000) 4.580 5.283 ( 3.104 0.377 0.000) 3.127 5.346 ( 2.191 -0.158 0.000) 2.197 5.360 ( 4.117 -1.301 0.000) 4.318 5.398 ( 3.509 -0.864 0.000) 3.614 5.502 ( -1.919 -0.307 0.000) 1.944 5.559 ( -2.712 0.114 0.000) 2.714 5.562 ( -2.348 -0.204 0.000) 2.356 5.617 ( 2.213 0.424 0.000) 2.253 5.760 ( -3.255 -1.266 0.000) 3.492 5.913 ( -2.341 -0.350 0.000) 2.367 5.941 ( -2.901 0.429 0.000) 2.933 6.026 ( 1.089 -1.132 0.000) 1.571 6.824 ( 3.454 -0.239 0.000) 3.462 6.836 ( 3.217 -0.128 0.000) 3.219 ======================= Grid point 60 (41/98) ======================= q-point: (-0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -1.999 0.069 0.000) 2.000 1.060 ( -3.160 1.762 0.000) 3.618 1.087 ( -0.973 15.001 0.000) 15.033 1.207 ( -4.847 9.564 0.000) 10.722 1.264 ( -5.544 0.217 0.000) 5.549 1.404 ( -6.982 2.868 0.000) 7.549 1.457 ( -3.549 -5.177 0.000) 6.277 1.548 ( 0.813 -3.239 0.000) 3.339 1.590 ( -5.760 3.951 0.000) 6.985 1.618 ( -2.871 -2.526 0.000) 3.824 1.620 ( 3.050 -12.787 0.000) 13.146 1.816 ( -4.105 0.768 0.000) 4.176 1.907 ( -5.403 2.244 0.000) 5.850 1.935 ( -13.750 2.383 0.000) 13.955 1.988 ( -8.438 -2.182 0.000) 8.716 2.101 ( -0.874 -5.018 0.000) 5.093 2.172 ( -2.572 4.894 0.000) 5.529 2.250 ( -0.335 -0.100 0.000) 0.350 2.343 ( -1.706 -1.598 0.000) 2.337 2.345 ( 0.280 -1.368 0.000) 1.396 2.448 ( -5.585 1.304 0.000) 5.736 2.553 ( -7.904 7.921 0.000) 11.190 2.558 ( -4.035 1.878 0.000) 4.451 2.646 ( -9.401 2.701 0.000) 9.781 2.662 ( -5.682 6.824 0.000) 8.880 2.744 ( -1.842 2.923 0.000) 3.455 2.758 ( -4.512 0.470 0.000) 4.537 2.790 ( -2.093 3.510 0.000) 4.087 2.817 ( -0.607 1.833 0.000) 1.931 3.019 ( -3.353 -6.191 0.000) 7.041 3.024 ( 0.752 4.309 0.000) 4.374 3.077 ( -5.264 -4.598 0.000) 6.989 3.078 ( -2.318 -5.387 0.000) 5.864 3.100 ( -1.320 -2.554 0.000) 2.875 3.248 ( 1.006 -2.979 0.000) 3.144 3.343 ( 4.272 -0.363 0.000) 4.287 4.181 ( -5.638 1.017 0.000) 5.729 4.196 ( -5.314 0.923 0.000) 5.393 4.223 ( -7.277 0.932 0.000) 7.337 4.281 ( -7.663 -1.670 0.000) 7.843 4.546 ( -3.153 -1.008 0.000) 3.310 4.578 ( -0.279 0.366 0.000) 0.460 4.641 ( -0.842 -1.663 0.000) 1.864 4.704 ( -1.254 0.627 0.000) 1.402 4.766 ( -0.444 1.203 0.000) 1.282 4.771 ( 4.546 -0.947 0.000) 4.644 5.092 ( -0.518 -0.151 0.000) 0.540 5.118 ( 0.914 0.704 0.000) 1.153 5.129 ( -1.533 -0.582 0.000) 1.640 5.160 ( -0.387 -1.693 0.000) 1.737 5.271 ( 2.534 -0.104 0.000) 2.536 5.337 ( 2.136 0.440 0.000) 2.181 5.341 ( 3.211 -0.082 0.000) 3.212 5.406 ( 3.396 0.950 0.000) 3.526 5.431 ( 1.451 0.065 0.000) 1.453 5.459 ( 2.257 -0.065 0.000) 2.258 5.479 ( 0.440 -0.623 0.000) 0.763 5.525 ( -1.315 0.231 0.000) 1.335 5.559 ( 1.093 -0.811 0.000) 1.361 5.647 ( 1.331 1.624 0.000) 2.100 5.716 ( -1.587 -1.659 0.000) 2.295 5.890 ( 0.179 0.051 0.000) 0.186 5.899 ( -0.923 0.404 0.000) 1.008 6.057 ( 1.365 -1.566 0.000) 2.077 6.870 ( 1.295 -0.387 0.000) 1.351 6.877 ( 1.111 -0.164 0.000) 1.123 ======================= Grid point 61 (42/98) ======================= q-point: (-0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -0.870 0.789 0.000) 1.175 0.952 ( -4.496 13.793 0.000) 14.508 0.967 ( -3.433 8.205 0.000) 8.894 1.109 ( -0.681 6.649 0.000) 6.684 1.194 ( -1.129 4.268 0.000) 4.415 1.235 ( -7.436 5.158 0.000) 9.050 1.367 ( -2.770 4.680 0.000) 5.438 1.555 ( 0.596 -4.476 0.000) 4.515 1.564 ( -0.497 4.576 0.000) 4.603 1.598 ( 0.234 -3.954 0.000) 3.961 1.661 ( -9.031 5.978 0.000) 10.830 1.696 ( -2.236 -0.596 0.000) 2.314 1.722 ( -8.775 0.309 0.000) 8.780 1.764 ( -4.310 2.005 0.000) 4.754 1.965 ( 0.845 -3.779 0.000) 3.873 2.035 ( -3.954 2.927 0.000) 4.920 2.071 ( -4.024 -2.375 0.000) 4.672 2.258 ( 0.527 0.682 0.000) 0.862 2.319 ( -1.122 -1.382 0.000) 1.780 2.361 ( -2.198 4.076 0.000) 4.631 2.372 ( 1.093 -0.630 0.000) 1.261 2.384 ( -3.932 5.496 0.000) 6.758 2.459 ( -4.085 3.110 0.000) 5.134 2.469 ( -6.892 2.476 0.000) 7.323 2.546 ( -3.073 5.992 0.000) 6.734 2.652 ( -2.980 6.739 0.000) 7.368 2.686 ( -2.389 1.196 0.000) 2.672 2.780 ( 0.257 1.449 0.000) 1.472 2.809 ( -1.309 -3.453 0.000) 3.693 2.992 ( -1.521 -1.863 0.000) 2.405 2.994 ( -0.800 3.433 0.000) 3.525 3.027 ( -2.659 -9.366 0.000) 9.736 3.088 ( 0.041 -5.197 0.000) 5.198 3.129 ( 0.790 -6.029 0.000) 6.080 3.297 ( 1.356 -4.728 0.000) 4.919 3.408 ( 2.264 -0.127 0.000) 2.268 4.073 ( -4.530 1.455 0.000) 4.757 4.084 ( -5.766 1.031 0.000) 5.858 4.093 ( -4.380 1.388 0.000) 4.595 4.129 ( -8.267 -1.150 0.000) 8.347 4.504 ( -1.709 -0.882 0.000) 1.923 4.575 ( 0.002 0.138 0.000) 0.138 4.642 ( -0.127 -1.490 0.000) 1.495 4.683 ( -0.512 0.264 0.000) 0.576 4.751 ( -0.294 1.845 0.000) 1.869 4.890 ( 6.007 -1.411 0.000) 6.171 5.097 ( 0.556 -0.751 0.000) 0.934 5.114 ( -0.410 -0.878 0.000) 0.969 5.145 ( 2.145 -0.250 0.000) 2.159 5.166 ( 0.220 -1.376 0.000) 1.393 5.312 ( 1.457 -0.252 0.000) 1.479 5.349 ( -1.053 -0.337 0.000) 1.106 5.354 ( -1.567 -0.954 0.000) 1.834 5.438 ( 0.626 1.261 0.000) 1.408 5.441 ( 1.101 1.465 0.000) 1.833 5.481 ( -1.773 0.234 0.000) 1.788 5.495 ( 0.106 -0.246 0.000) 0.268 5.502 ( 0.607 0.555 0.000) 0.822 5.590 ( 1.677 -0.110 0.000) 1.680 5.654 ( 0.928 3.582 0.000) 3.700 5.727 ( 1.495 -0.695 0.000) 1.648 5.899 ( 0.820 0.779 0.000) 1.130 5.912 ( 1.962 1.544 0.000) 2.497 6.092 ( 1.135 -2.233 0.000) 2.505 6.882 ( -0.052 -0.303 0.000) 0.307 6.886 ( -0.005 -0.067 0.000) 0.067 ======================= Grid point 62 (43/98) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 0.000 9.837 0.000) 9.837 0.824 ( 0.000 13.465 0.000) 13.465 0.890 ( 0.000 4.402 0.000) 4.402 1.087 ( 0.000 4.288 0.000) 4.288 1.113 ( 0.000 6.007 0.000) 6.007 1.162 ( 0.000 3.283 0.000) 3.283 1.338 ( 0.000 5.535 0.000) 5.535 1.462 ( 0.000 27.591 0.000) 27.591 1.519 ( 0.000 8.352 0.000) 8.352 1.570 ( -0.000 -0.756 0.000) 0.756 1.598 ( 0.000 1.205 0.000) 1.205 1.655 ( -0.000 -3.333 0.000) 3.333 1.661 ( 0.000 1.098 0.000) 1.098 1.697 ( -0.000 -8.011 0.000) 8.011 2.005 ( -0.000 -5.415 0.000) 5.415 2.018 ( -0.000 -0.657 0.000) 0.657 2.038 ( -0.000 -2.716 0.000) 2.716 2.265 ( 0.000 12.976 0.000) 12.976 2.273 ( 0.000 1.999 0.000) 1.999 2.315 ( -0.000 -1.475 0.000) 1.475 2.347 ( -0.000 -0.764 0.000) 0.764 2.387 ( 0.000 3.435 0.000) 3.435 2.394 ( 0.000 0.008 0.000) 0.008 2.410 ( -0.000 -1.111 0.000) 1.111 2.476 ( 0.000 6.140 0.000) 6.140 2.586 ( 0.000 6.227 0.000) 6.227 2.659 ( 0.000 0.544 0.000) 0.544 2.771 ( 0.000 2.470 0.000) 2.470 2.817 ( -0.000 -5.117 0.000) 5.117 2.971 ( 0.000 2.734 0.000) 2.734 2.988 ( -0.000 -0.878 0.000) 0.878 3.061 ( -0.000 -11.266 0.000) 11.266 3.118 ( -0.000 -5.252 0.000) 5.252 3.174 ( -0.000 -5.731 0.000) 5.731 3.338 ( -0.000 -4.854 0.000) 4.854 3.431 ( -0.000 -0.530 0.000) 0.530 4.009 ( 0.000 1.392 0.000) 1.392 4.016 ( 0.000 1.648 0.000) 1.648 4.026 ( 0.000 1.597 0.000) 1.597 4.050 ( 0.000 1.524 0.000) 1.524 4.492 ( -0.000 -0.973 0.000) 0.973 4.574 ( -0.000 -0.052 0.000) 0.052 4.649 ( -0.000 -1.432 0.000) 1.432 4.678 ( 0.000 0.254 0.000) 0.254 4.737 ( 0.000 2.077 0.000) 2.077 4.966 ( -0.000 -1.828 0.000) 1.828 5.108 ( -0.000 -0.999 0.000) 0.999 5.121 ( -0.000 -1.128 0.000) 1.128 5.170 ( -0.000 -1.404 0.000) 1.404 5.207 ( -0.000 -3.032 0.000) 3.032 5.316 ( -0.000 -0.544 0.000) 0.544 5.327 ( -0.000 -0.501 0.000) 0.501 5.335 ( -0.000 -0.284 0.000) 0.284 5.439 ( 0.000 1.712 0.000) 1.712 5.441 ( 0.000 0.641 0.000) 0.641 5.448 ( 0.000 0.727 0.000) 0.727 5.497 ( 0.000 1.930 0.000) 1.930 5.503 ( 0.000 0.114 0.000) 0.114 5.608 ( 0.000 0.715 0.000) 0.715 5.642 ( 0.000 4.759 0.000) 4.759 5.749 ( -0.000 -0.393 0.000) 0.393 5.904 ( 0.000 1.222 0.000) 1.222 5.923 ( 0.000 2.595 0.000) 2.595 6.118 ( -0.000 -2.851 0.000) 2.851 6.880 ( -0.000 -0.006 0.000) 0.006 6.885 ( 0.000 0.055 0.000) 0.055 ======================= Grid point 71 (44/98) ======================= q-point: (-0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -2.526 -0.000 0.000) 2.526 1.124 ( -2.861 -0.000 0.000) 2.861 1.217 ( 3.224 0.000 0.000) 3.224 1.366 ( -1.077 -0.000 0.000) 1.077 1.410 ( -8.616 -0.000 0.000) 8.616 1.435 ( -4.507 -0.000 0.000) 4.507 1.442 ( -4.106 -0.000 0.000) 4.106 1.497 ( -3.563 -0.000 0.000) 3.563 1.560 ( -0.613 -0.000 0.000) 0.613 1.632 ( -3.997 -0.000 0.000) 3.997 1.828 ( -9.869 -0.000 0.000) 9.869 1.875 ( -1.375 -0.000 0.000) 1.375 1.991 ( -3.433 -0.000 0.000) 3.433 2.016 ( 2.312 0.000 0.000) 2.312 2.169 ( 3.116 0.000 0.000) 3.116 2.187 ( -9.075 -0.000 0.000) 9.075 2.209 ( -9.992 -0.000 0.000) 9.992 2.286 ( -3.921 -0.000 0.000) 3.921 2.314 ( 0.669 0.000 0.000) 0.669 2.391 ( -3.891 -0.000 0.000) 3.891 2.536 ( -2.344 -0.000 0.000) 2.344 2.600 ( 0.650 0.000 0.000) 0.650 2.729 ( -2.923 0.000 0.000) 2.923 2.729 ( -1.394 0.000 0.000) 1.394 2.754 ( -1.117 -0.000 0.000) 1.117 2.826 ( -6.499 -0.000 0.000) 6.499 2.923 ( -5.442 -0.000 0.000) 5.442 2.945 ( -5.444 -0.000 0.000) 5.444 2.995 ( -7.954 -0.000 0.000) 7.954 3.000 ( -5.480 -0.000 0.000) 5.480 3.041 ( -0.348 -0.000 0.000) 0.348 3.046 ( -0.001 -0.000 0.000) 0.001 3.096 ( -1.908 -0.000 0.000) 1.908 3.173 ( -3.814 -0.000 0.000) 3.814 3.260 ( -3.530 -0.000 0.000) 3.530 3.263 ( 1.302 0.000 0.000) 1.302 4.282 ( -3.910 -0.000 0.000) 3.910 4.286 ( -3.542 -0.000 0.000) 3.542 4.359 ( -5.545 -0.000 0.000) 5.545 4.395 ( -4.771 -0.000 0.000) 4.771 4.604 ( -1.825 -0.000 0.000) 1.825 4.606 ( -3.991 -0.000 0.000) 3.991 4.650 ( -1.952 -0.000 0.000) 1.952 4.695 ( 0.528 0.000 0.000) 0.528 4.772 ( -2.868 -0.000 0.000) 2.868 4.784 ( -0.375 -0.000 0.000) 0.375 5.116 ( -1.886 -0.000 0.000) 1.886 5.128 ( -0.442 -0.000 0.000) 0.442 5.140 ( 0.367 0.000 0.000) 0.367 5.161 ( -1.868 -0.000 0.000) 1.868 5.226 ( 2.047 0.000 0.000) 2.047 5.245 ( 5.683 0.000 0.000) 5.683 5.286 ( 3.080 0.000 0.000) 3.080 5.345 ( 2.380 0.000 0.000) 2.380 5.352 ( 4.355 0.000 0.000) 4.355 5.394 ( 3.774 0.000 0.000) 3.774 5.500 ( -1.963 -0.000 0.000) 1.963 5.559 ( -2.839 -0.000 0.000) 2.839 5.561 ( -2.228 -0.000 0.000) 2.228 5.620 ( 2.329 0.000 0.000) 2.329 5.753 ( -3.335 -0.000 0.000) 3.335 5.911 ( -2.315 -0.000 0.000) 2.315 5.944 ( -2.989 -0.000 0.000) 2.989 6.020 ( 1.165 0.000 0.000) 1.165 6.823 ( 3.441 0.000 0.000) 3.441 6.835 ( 3.213 0.000 0.000) 3.213 ======================= Grid point 73 (45/98) ======================= q-point: (-0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -1.997 -0.001 0.000) 1.997 1.072 ( -2.378 0.523 0.000) 2.435 1.227 ( -5.479 7.330 0.000) 9.152 1.293 ( 2.640 7.550 0.000) 7.999 1.309 ( -4.252 9.029 0.000) 9.980 1.391 ( -5.149 -5.400 0.000) 7.462 1.399 ( -0.946 -6.153 0.000) 6.226 1.487 ( 2.344 -9.828 0.000) 10.104 1.543 ( -1.116 2.304 0.000) 2.559 1.584 ( -0.772 -3.439 0.000) 3.525 1.621 ( -8.621 1.487 0.000) 8.749 1.832 ( -3.087 1.502 0.000) 3.433 1.930 ( -3.415 1.750 0.000) 3.837 1.949 ( -13.547 0.553 0.000) 13.558 1.966 ( -11.677 -1.653 0.000) 11.793 2.054 ( 0.056 -2.898 0.000) 2.898 2.215 ( 0.412 2.977 0.000) 3.005 2.243 ( -1.418 -1.190 0.000) 1.851 2.332 ( -0.835 -0.437 0.000) 0.942 2.333 ( -0.107 -0.729 0.000) 0.737 2.458 ( -5.265 0.490 0.000) 5.288 2.571 ( -3.399 0.646 0.000) 3.460 2.614 ( -7.364 2.983 0.000) 7.945 2.675 ( -7.830 2.961 0.000) 8.371 2.706 ( -3.912 -0.888 0.000) 4.011 2.757 ( 0.815 0.324 0.000) 0.877 2.768 ( -6.825 3.620 0.000) 7.725 2.835 ( -3.898 3.246 0.000) 5.073 2.862 ( -3.489 4.543 0.000) 5.729 2.936 ( -4.219 -7.390 0.000) 8.510 3.028 ( -2.698 -3.058 0.000) 4.078 3.037 ( -2.849 -2.830 0.000) 4.016 3.061 ( 1.372 1.995 0.000) 2.422 3.083 ( -5.178 -0.674 0.000) 5.222 3.221 ( -0.499 -1.576 0.000) 1.653 3.341 ( 4.582 -0.029 0.000) 4.582 4.188 ( -5.428 0.337 0.000) 5.439 4.202 ( -4.924 0.259 0.000) 4.931 4.230 ( -7.472 0.387 0.000) 7.482 4.270 ( -7.997 -0.448 0.000) 8.009 4.539 ( -2.984 -0.366 0.000) 3.006 4.581 ( -0.506 0.249 0.000) 0.564 4.627 ( -0.624 -0.759 0.000) 0.982 4.708 ( -1.504 0.208 0.000) 1.518 4.764 ( 4.471 -0.371 0.000) 4.487 4.776 ( -0.268 0.475 0.000) 0.545 5.092 ( -0.586 -0.012 0.000) 0.586 5.123 ( -1.820 -0.415 0.000) 1.867 5.126 ( 0.493 0.609 0.000) 0.784 5.145 ( 0.030 -0.995 0.000) 0.996 5.272 ( 2.431 0.087 0.000) 2.433 5.340 ( 3.037 -0.026 0.000) 3.037 5.341 ( 2.048 0.183 0.000) 2.056 5.413 ( 3.767 0.341 0.000) 3.782 5.433 ( 3.002 0.240 0.000) 3.012 5.459 ( 2.533 0.038 0.000) 2.533 5.473 ( -0.029 -0.431 0.000) 0.432 5.528 ( -1.475 0.142 0.000) 1.482 5.552 ( 0.955 -0.382 0.000) 1.029 5.659 ( 1.871 0.572 0.000) 1.957 5.703 ( -1.196 -0.608 0.000) 1.342 5.891 ( 0.602 0.046 0.000) 0.603 5.902 ( -0.937 0.153 0.000) 0.950 6.046 ( 1.330 -0.555 0.000) 1.441 6.867 ( 1.316 -0.127 0.000) 1.322 6.876 ( 1.140 -0.057 0.000) 1.141 ======================= Grid point 74 (46/98) ======================= q-point: (-0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -0.841 -0.047 0.000) 0.842 1.024 ( -1.703 2.816 0.000) 3.291 1.063 ( -7.017 6.690 0.000) 9.695 1.200 ( -1.662 8.727 0.000) 8.884 1.259 ( -1.474 6.824 0.000) 6.981 1.283 ( -5.898 3.717 0.000) 6.971 1.404 ( 0.695 1.892 0.000) 2.016 1.512 ( 0.300 -2.114 0.000) 2.135 1.540 ( -0.249 -6.293 0.000) 6.298 1.601 ( 1.361 2.150 0.000) 2.545 1.617 ( -2.829 -7.001 0.000) 7.550 1.723 ( -9.934 0.041 0.000) 9.934 1.741 ( -3.568 3.647 0.000) 5.102 1.796 ( 1.106 2.083 0.000) 2.358 1.938 ( 0.897 -1.419 0.000) 1.679 2.033 ( -3.369 -2.674 0.000) 4.301 2.103 ( -6.943 6.930 0.000) 9.810 2.257 ( -0.162 -0.969 0.000) 0.983 2.307 ( -1.041 -0.750 0.000) 1.283 2.364 ( 1.668 -0.610 0.000) 1.776 2.377 ( -1.156 0.973 0.000) 1.511 2.442 ( -7.287 2.678 0.000) 7.764 2.485 ( -4.342 1.657 0.000) 4.648 2.506 ( -6.020 5.299 0.000) 8.020 2.616 ( -3.090 5.590 0.000) 6.388 2.679 ( -3.197 -2.553 0.000) 4.091 2.728 ( -2.120 6.786 0.000) 7.110 2.791 ( 0.289 0.472 0.000) 0.554 2.800 ( -2.291 1.670 0.000) 2.835 2.906 ( -2.793 -8.426 0.000) 8.877 2.988 ( -2.880 -4.489 0.000) 5.333 2.999 ( -1.550 -0.112 0.000) 1.554 3.054 ( -0.387 -7.343 0.000) 7.353 3.076 ( 1.592 2.932 0.000) 3.336 3.246 ( 0.786 -4.429 0.000) 4.498 3.409 ( 2.463 0.273 0.000) 2.479 4.087 ( -4.719 0.963 0.000) 4.816 4.092 ( -5.504 0.455 0.000) 5.522 4.106 ( -4.743 1.025 0.000) 4.853 4.121 ( -6.579 -0.555 0.000) 6.603 4.497 ( -1.544 -0.418 0.000) 1.599 4.577 ( 0.036 0.233 0.000) 0.236 4.629 ( 0.079 -0.924 0.000) 0.927 4.684 ( -0.685 0.056 0.000) 0.688 4.768 ( -0.087 1.236 0.000) 1.240 4.879 ( 5.929 -0.757 0.000) 5.977 5.091 ( 0.259 -0.250 0.000) 0.360 5.103 ( -0.559 -1.056 0.000) 1.194 5.142 ( 1.362 -0.216 0.000) 1.379 5.153 ( 0.287 -0.943 0.000) 0.985 5.311 ( 1.515 0.037 0.000) 1.515 5.345 ( -1.600 -0.726 0.000) 1.757 5.346 ( -1.611 -0.108 0.000) 1.614 5.448 ( 0.371 0.709 0.000) 0.800 5.456 ( 0.557 1.209 0.000) 1.331 5.483 ( -2.256 0.025 0.000) 2.256 5.494 ( 0.916 -0.050 0.000) 0.917 5.506 ( 1.750 0.085 0.000) 1.752 5.590 ( 2.386 0.033 0.000) 2.386 5.683 ( 1.301 1.925 0.000) 2.323 5.721 ( 1.940 -0.306 0.000) 1.964 5.906 ( 1.045 0.445 0.000) 1.136 5.925 ( 2.503 0.861 0.000) 2.647 6.074 ( 1.046 -1.174 0.000) 1.572 6.880 ( 0.111 -0.133 0.000) 0.173 6.886 ( 0.073 -0.031 0.000) 0.079 ======================= Grid point 75 (47/98) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 0.000 0.011 0.000) 0.011 0.942 ( 0.000 8.448 0.000) 8.448 0.979 ( 0.000 6.932 0.000) 6.932 1.162 ( 0.000 9.864 0.000) 9.864 1.168 ( 0.000 4.138 0.000) 4.138 1.210 ( 0.000 5.396 0.000) 5.396 1.389 ( 0.000 3.873 0.000) 3.873 1.565 ( -0.000 -0.109 0.000) 0.109 1.579 ( -0.000 -2.148 0.000) 2.148 1.585 ( -0.000 -7.272 0.000) 7.272 1.606 ( -0.000 -0.628 0.000) 0.628 1.609 ( 0.000 0.841 0.000) 0.841 1.680 ( 0.000 2.047 0.000) 2.047 1.761 ( 0.000 22.266 0.000) 22.266 1.963 ( -0.000 -2.451 0.000) 2.451 2.003 ( -0.000 -2.048 0.000) 2.048 2.009 ( -0.000 -2.419 0.000) 2.419 2.271 ( -0.000 -1.850 0.000) 1.850 2.301 ( -0.000 -1.068 0.000) 1.068 2.342 ( -0.000 -0.172 0.000) 0.172 2.394 ( -0.000 -0.014 0.000) 0.014 2.394 ( 0.000 10.188 0.000) 10.188 2.400 ( -0.000 -0.717 0.000) 0.717 2.417 ( 0.000 2.019 0.000) 2.019 2.548 ( 0.000 6.967 0.000) 6.967 2.659 ( -0.000 -1.553 0.000) 1.553 2.662 ( 0.000 7.809 0.000) 7.809 2.772 ( -0.000 -1.987 0.000) 1.987 2.791 ( 0.000 1.212 0.000) 1.212 2.932 ( -0.000 -10.338 0.000) 10.338 2.980 ( -0.000 -2.544 0.000) 2.544 2.991 ( -0.000 -0.470 0.000) 0.470 3.084 ( 0.000 0.237 0.000) 0.237 3.096 ( -0.000 -8.206 0.000) 8.206 3.282 ( -0.000 -5.298 0.000) 5.298 3.431 ( 0.000 0.371 0.000) 0.371 4.022 ( 0.000 0.967 0.000) 0.967 4.031 ( 0.000 1.145 0.000) 1.145 4.041 ( 0.000 1.159 0.000) 1.159 4.064 ( 0.000 1.116 0.000) 1.116 4.485 ( -0.000 -0.477 0.000) 0.477 4.576 ( 0.000 0.299 0.000) 0.299 4.635 ( -0.000 -1.050 0.000) 1.050 4.679 ( -0.000 -0.021 0.000) 0.021 4.759 ( 0.000 1.841 0.000) 1.841 4.950 ( -0.000 -1.073 0.000) 1.073 5.096 ( -0.000 -0.956 0.000) 0.956 5.108 ( -0.000 -1.137 0.000) 1.137 5.158 ( -0.000 -0.775 0.000) 0.775 5.177 ( -0.000 -2.269 0.000) 2.269 5.311 ( -0.000 -0.374 0.000) 0.374 5.323 ( -0.000 -0.337 0.000) 0.337 5.331 ( -0.000 -0.429 0.000) 0.429 5.447 ( 0.000 0.430 0.000) 0.430 5.454 ( 0.000 1.064 0.000) 1.064 5.454 ( 0.000 0.487 0.000) 0.487 5.503 ( -0.000 -0.008 0.000) 0.008 5.517 ( 0.000 1.709 0.000) 1.709 5.615 ( 0.000 0.626 0.000) 0.626 5.684 ( 0.000 3.039 0.000) 3.039 5.746 ( -0.000 -0.180 0.000) 0.180 5.915 ( 0.000 0.901 0.000) 0.901 5.947 ( 0.000 1.712 0.000) 1.712 6.093 ( -0.000 -1.813 0.000) 1.813 6.880 ( -0.000 -0.003 0.000) 0.003 6.885 ( 0.000 0.038 0.000) 0.038 ======================= Grid point 86 (48/98) ======================= q-point: (-0.54 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -0.873 -0.000 0.000) 0.873 1.038 ( -1.285 -0.000 0.000) 1.285 1.098 ( -7.594 -0.000 0.000) 7.594 1.253 ( -4.716 -0.000 0.000) 4.716 1.305 ( -3.384 -0.000 0.000) 3.384 1.310 ( -1.115 -0.000 0.000) 1.115 1.407 ( 1.654 0.000 0.000) 1.654 1.494 ( -2.239 -0.000 0.000) 2.239 1.522 ( 0.266 0.000 0.000) 0.266 1.556 ( 0.435 0.000 0.000) 0.435 1.612 ( 2.233 0.000 0.000) 2.233 1.723 ( -10.162 -0.000 0.000) 10.162 1.762 ( -4.413 -0.000 0.000) 4.413 1.806 ( 2.839 0.000 0.000) 2.839 1.931 ( 0.976 0.000 0.000) 0.976 2.016 ( -2.812 -0.000 0.000) 2.812 2.151 ( -5.786 -0.000 0.000) 5.786 2.246 ( -1.124 -0.000 0.000) 1.124 2.303 ( -1.036 -0.000 0.000) 1.036 2.360 ( 1.902 0.000 0.000) 1.902 2.384 ( -1.064 -0.000 0.000) 1.064 2.452 ( -9.309 -0.000 0.000) 9.309 2.494 ( -4.426 -0.000 0.000) 4.426 2.558 ( -5.628 -0.000 0.000) 5.628 2.614 ( -3.284 -0.000 0.000) 3.284 2.686 ( -3.777 -0.000 0.000) 3.777 2.777 ( 0.829 0.000 0.000) 0.829 2.788 ( -2.149 -0.000 0.000) 2.149 2.797 ( -2.036 -0.000 0.000) 2.036 2.874 ( -2.744 -0.000 0.000) 2.744 2.954 ( -3.059 -0.000 0.000) 3.059 3.000 ( -0.420 -0.000 0.000) 0.420 3.000 ( -1.876 -0.000 0.000) 1.876 3.100 ( 1.596 0.000 0.000) 1.596 3.217 ( 0.382 0.000 0.000) 0.382 3.411 ( 2.529 0.000 0.000) 2.529 4.093 ( -4.132 -0.000 0.000) 4.132 4.094 ( -6.068 -0.000 0.000) 6.068 4.114 ( -3.884 -0.000 0.000) 3.884 4.115 ( -7.005 -0.000 0.000) 7.005 4.495 ( -1.474 -0.000 0.000) 1.474 4.578 ( 0.048 0.000 0.000) 0.048 4.623 ( 0.181 0.000 0.000) 0.181 4.684 ( -0.749 -0.000 0.000) 0.749 4.775 ( 0.005 0.000 0.000) 0.005 4.874 ( 5.935 0.000 0.000) 5.935 5.091 ( 0.387 0.000 0.000) 0.387 5.096 ( -0.834 -0.000 0.000) 0.834 5.141 ( 1.032 0.000 0.000) 1.032 5.148 ( 0.360 0.000 0.000) 0.360 5.311 ( 1.544 0.000 0.000) 1.544 5.341 ( -1.646 -0.000 0.000) 1.646 5.346 ( -1.809 -0.000 0.000) 1.809 5.452 ( 0.270 0.000 0.000) 0.270 5.463 ( 0.018 0.000 0.000) 0.018 5.483 ( -2.304 -0.000 0.000) 2.304 5.494 ( 1.086 0.000 0.000) 1.086 5.506 ( 2.496 0.000 0.000) 2.496 5.590 ( 2.641 0.000 0.000) 2.641 5.694 ( 1.408 0.000 0.000) 1.408 5.720 ( 2.094 0.000 0.000) 2.094 5.908 ( 1.134 0.000 0.000) 1.134 5.930 ( 2.679 0.000 0.000) 2.679 6.068 ( 1.022 0.000 0.000) 1.022 6.879 ( 0.163 0.000 0.000) 0.163 6.886 ( 0.099 0.000 0.000) 0.099 ======================= Grid point 88 (49/98) ======================= q-point: (-0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -0.000 -0.079 0.000) 0.079 1.003 ( 0.000 2.841 0.000) 2.841 1.021 ( 0.000 1.598 0.000) 1.598 1.199 ( 0.000 1.473 0.000) 1.473 1.265 ( 0.000 3.692 0.000) 3.692 1.276 ( 0.000 9.033 0.000) 9.033 1.417 ( 0.000 1.318 0.000) 1.318 1.496 ( -0.000 -7.666 0.000) 7.666 1.512 ( -0.000 -4.662 0.000) 4.662 1.567 ( 0.000 0.283 0.000) 0.283 1.615 ( 0.000 0.301 0.000) 0.301 1.633 ( 0.000 1.656 0.000) 1.656 1.698 ( 0.000 1.024 0.000) 1.024 1.948 ( -0.000 -0.578 0.000) 0.578 1.961 ( 0.000 12.527 0.000) 12.527 1.984 ( -0.000 -0.931 0.000) 0.931 1.988 ( -0.000 -1.265 0.000) 1.265 2.232 ( -0.000 -4.340 0.000) 4.340 2.293 ( -0.000 -0.392 0.000) 0.392 2.342 ( 0.000 0.024 0.000) 0.024 2.394 ( -0.000 -0.008 0.000) 0.008 2.395 ( -0.000 -0.251 0.000) 0.251 2.430 ( 0.000 0.615 0.000) 0.615 2.484 ( 0.000 6.209 0.000) 6.209 2.596 ( -0.000 -1.824 0.000) 1.824 2.633 ( 0.000 1.077 0.000) 1.077 2.743 ( 0.000 6.431 0.000) 6.431 2.780 ( 0.000 1.024 0.000) 1.024 2.793 ( -0.000 -1.146 0.000) 1.146 2.846 ( -0.000 -3.747 0.000) 3.747 2.934 ( -0.000 -3.907 0.000) 3.907 2.991 ( 0.000 0.083 0.000) 0.083 3.015 ( -0.000 -5.597 0.000) 5.597 3.109 ( 0.000 2.670 0.000) 2.670 3.232 ( -0.000 -3.398 0.000) 3.398 3.435 ( 0.000 0.229 0.000) 0.229 4.029 ( 0.000 0.346 0.000) 0.346 4.040 ( 0.000 0.408 0.000) 0.408 4.049 ( 0.000 0.423 0.000) 0.423 4.073 ( 0.000 0.410 0.000) 0.410 4.482 ( -0.000 -0.137 0.000) 0.137 4.579 ( 0.000 0.174 0.000) 0.174 4.627 ( -0.000 -0.398 0.000) 0.398 4.678 ( -0.000 -0.040 0.000) 0.040 4.773 ( 0.000 0.760 0.000) 0.760 4.943 ( -0.000 -0.327 0.000) 0.327 5.089 ( -0.000 -0.336 0.000) 0.336 5.099 ( -0.000 -0.546 0.000) 0.546 5.153 ( -0.000 -0.297 0.000) 0.297 5.161 ( -0.000 -0.802 0.000) 0.802 5.308 ( -0.000 -0.134 0.000) 0.134 5.320 ( -0.000 -0.119 0.000) 0.119 5.327 ( -0.000 -0.197 0.000) 0.197 5.450 ( 0.000 0.151 0.000) 0.151 5.458 ( 0.000 0.171 0.000) 0.171 5.462 ( 0.000 0.356 0.000) 0.356 5.503 ( -0.000 -0.017 0.000) 0.017 5.530 ( 0.000 0.672 0.000) 0.672 5.620 ( 0.000 0.237 0.000) 0.237 5.706 ( 0.000 1.027 0.000) 1.027 5.745 ( -0.000 -0.038 0.000) 0.038 5.922 ( 0.000 0.343 0.000) 0.343 5.959 ( 0.000 0.596 0.000) 0.596 6.080 ( -0.000 -0.616 0.000) 0.616 6.880 ( -0.000 -0.001 0.000) 0.001 6.885 ( 0.000 0.014 0.000) 0.014 ======================= Grid point 175 (50/98) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.377 ( 0.000 0.000 18.264) 18.264 0.422 ( 0.000 0.000 20.649) 20.649 0.711 ( 0.000 0.000 -14.885) 14.885 0.723 ( 0.000 0.000 31.145) 31.145 0.812 ( 0.000 0.000 -14.987) 14.987 1.072 ( 0.000 0.000 4.801) 4.801 1.100 ( 0.000 0.000 -5.356) 5.356 1.291 ( 0.000 0.000 8.862) 8.862 1.395 ( 0.000 0.000 -23.305) 23.305 1.452 ( 0.000 0.000 -7.073) 7.073 1.497 ( 0.000 0.000 10.976) 10.976 1.643 ( 0.000 0.000 -2.163) 2.163 1.651 ( 0.000 0.000 2.977) 2.977 1.695 ( 0.000 0.000 -1.513) 1.513 1.956 ( 0.000 0.000 1.573) 1.573 1.997 ( 0.000 0.000 2.396) 2.396 2.052 ( 0.000 0.000 -2.653) 2.653 2.084 ( 0.000 0.000 -8.619) 8.619 2.286 ( 0.000 0.000 4.323) 4.323 2.325 ( 0.000 0.000 -1.747) 1.747 2.331 ( 0.000 0.000 4.118) 4.118 2.370 ( 0.000 0.000 0.435) 0.435 2.380 ( 0.000 0.000 -0.474) 0.474 2.412 ( 0.000 0.000 1.533) 1.533 2.440 ( 0.000 0.000 -1.135) 1.135 2.487 ( 0.000 0.000 -5.469) 5.469 2.687 ( 0.000 0.000 0.093) 0.093 2.701 ( 0.000 0.000 2.465) 2.465 2.931 ( 0.000 0.000 -0.083) 0.083 2.932 ( 0.000 0.000 -0.208) 0.208 3.023 ( 0.000 0.000 3.844) 3.844 3.096 ( 0.000 0.000 -1.480) 1.480 3.290 ( 0.000 0.000 0.390) 0.390 3.301 ( 0.000 0.000 -0.652) 0.652 3.468 ( 0.000 0.000 2.209) 2.209 3.502 ( 0.000 0.000 -0.992) 0.992 3.961 ( 0.000 0.000 -0.037) 0.037 3.961 ( 0.000 0.000 -0.081) 0.081 3.985 ( 0.000 0.000 0.644) 0.644 3.997 ( 0.000 0.000 -0.524) 0.524 4.588 ( 0.000 0.000 2.209) 2.209 4.619 ( 0.000 0.000 -0.753) 0.753 4.657 ( 0.000 0.000 1.952) 1.952 4.686 ( 0.000 0.000 -0.446) 0.446 4.793 ( 0.000 0.000 0.155) 0.155 4.854 ( 0.000 0.000 -5.554) 5.554 5.084 ( 0.000 0.000 2.592) 2.592 5.117 ( 0.000 0.000 -0.866) 0.866 5.269 ( 0.000 0.000 0.471) 0.471 5.292 ( 0.000 0.000 -1.805) 1.805 5.338 ( 0.000 0.000 0.237) 0.237 5.344 ( 0.000 0.000 -0.246) 0.246 5.402 ( 0.000 0.000 2.328) 2.328 5.418 ( 0.000 0.000 0.074) 0.074 5.420 ( 0.000 0.000 -0.064) 0.064 5.423 ( 0.000 0.000 0.294) 0.294 5.466 ( 0.000 0.000 -0.682) 0.682 5.469 ( 0.000 0.000 -1.008) 1.008 5.571 ( 0.000 0.000 1.397) 1.397 5.600 ( 0.000 0.000 -1.234) 1.234 5.655 ( 0.000 0.000 3.986) 3.986 5.739 ( 0.000 0.000 -3.779) 3.779 6.241 ( 0.000 0.000 1.045) 1.045 6.259 ( 0.000 0.000 -0.690) 0.690 6.881 ( 0.000 0.000 0.052) 0.052 6.882 ( 0.000 0.000 -0.052) 0.052 ======================= Grid point 176 (51/98) ======================= q-point: ( 0.08 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 14.601 1.945 14.473) 20.650 0.624 ( 13.202 -3.829 13.813) 19.488 0.856 ( 9.952 -1.523 -10.480) 14.532 0.888 ( 8.482 0.545 -14.070) 16.438 0.967 ( 21.937 -8.959 19.744) 30.843 1.034 ( -1.087 0.430 7.608) 7.697 1.140 ( 3.903 -1.605 -5.221) 6.713 1.318 ( 6.393 -2.130 -0.115) 6.739 1.489 ( 6.512 5.748 1.846) 8.880 1.540 ( 8.006 -0.301 -6.550) 10.348 1.574 ( 7.154 -8.313 -4.382) 11.810 1.661 ( 2.254 -1.083 -2.023) 3.217 1.741 ( 8.487 0.346 3.242) 9.091 1.794 ( 9.611 0.818 -2.415) 9.943 1.946 ( -0.178 1.908 1.006) 2.164 2.023 ( 1.447 -0.399 -0.474) 1.574 2.063 ( 0.737 2.017 -4.073) 4.605 2.087 ( 1.513 -2.002 -4.636) 5.272 2.249 ( -2.316 -0.219 4.565) 5.124 2.301 ( -1.644 -0.317 -1.823) 2.475 2.351 ( 2.219 -0.731 3.335) 4.072 2.385 ( 1.655 0.017 0.628) 1.770 2.400 ( 1.410 0.394 0.258) 1.486 2.472 ( 5.271 0.762 1.856) 5.640 2.488 ( 3.697 -0.317 -4.908) 6.153 2.530 ( 3.926 -0.288 -0.985) 4.058 2.636 ( -1.769 0.060 1.754) 2.492 2.703 ( 0.195 -0.761 0.140) 0.797 2.910 ( -1.709 0.099 0.693) 1.847 2.929 ( -0.368 -0.470 -0.799) 0.997 3.016 ( -0.656 -0.531 4.483) 4.562 3.096 ( 0.397 -0.662 -1.738) 1.902 3.286 ( 0.386 0.884 1.571) 1.844 3.310 ( 0.975 1.082 -0.974) 1.753 3.437 ( -2.852 0.761 1.953) 3.539 3.467 ( -3.181 0.768 -0.952) 3.408 4.023 ( 4.000 -0.354 0.406) 4.036 4.032 ( 4.194 -0.349 -0.377) 4.225 4.062 ( 7.728 -0.275 2.392) 8.095 4.173 ( 12.423 1.043 -10.733) 16.451 4.592 ( 0.705 1.104 1.644) 2.102 4.611 ( -0.842 0.838 -0.049) 1.189 4.653 ( 0.014 -0.662 1.385) 1.535 4.684 ( -0.236 -0.193 -1.022) 1.067 4.774 ( -1.148 1.463 1.236) 2.233 4.830 ( -2.454 -0.327 -3.211) 4.055 5.071 ( -0.896 -1.456 2.507) 3.034 5.101 ( -1.059 -0.562 -0.631) 1.354 5.222 ( -4.517 -0.068 5.647) 7.232 5.277 ( -0.914 1.786 0.499) 2.067 5.292 ( -0.603 -0.725 -0.379) 1.016 5.350 ( -1.808 0.342 -2.825) 3.372 5.398 ( -0.671 0.288 2.297) 2.410 5.420 ( 1.610 0.440 0.499) 1.742 5.431 ( -0.087 -0.878 -0.368) 0.956 5.434 ( 1.958 0.139 -0.496) 2.025 5.463 ( -0.136 -1.221 -0.295) 1.263 5.470 ( -0.124 -0.901 -0.830) 1.231 5.573 ( 0.723 1.708 1.803) 2.587 5.601 ( -0.514 0.291 -0.351) 0.687 5.719 ( 3.884 0.122 -1.949) 4.347 5.743 ( 0.857 -1.852 -2.695) 3.381 6.129 ( -6.367 2.377 6.922) 9.701 6.196 ( -3.405 1.222 -1.096) 3.780 6.893 ( 0.672 0.096 0.427) 0.802 6.910 ( 0.950 0.526 -1.405) 1.776 ======================= Grid point 177 (52/98) ======================= q-point: ( 0.15 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 8.754 -2.426 8.281) 12.292 0.887 ( 17.771 2.409 8.068) 19.665 0.981 ( 3.996 -0.452 -3.987) 5.663 1.065 ( 5.022 -1.268 8.829) 10.236 1.097 ( 13.460 1.818 -10.824) 17.367 1.249 ( 6.268 -2.706 -6.431) 9.379 1.519 ( 25.388 -6.845 7.177) 27.256 1.575 ( 12.955 -0.385 4.081) 13.588 1.595 ( 10.692 1.940 4.258) 11.671 1.673 ( 5.085 0.945 -1.299) 5.333 1.715 ( 5.190 -2.517 -0.072) 5.768 1.832 ( 9.957 -2.259 -8.527) 13.302 1.899 ( 6.469 1.683 1.210) 6.793 1.912 ( 2.399 1.514 -4.032) 4.929 2.019 ( 6.121 1.631 -0.634) 6.366 2.069 ( 8.866 -2.145 -5.457) 10.630 2.115 ( 4.621 -0.137 1.010) 4.732 2.150 ( 4.064 -1.920 -2.341) 5.068 2.231 ( 0.284 -1.208 4.459) 4.629 2.287 ( 0.185 -1.324 -1.623) 2.103 2.396 ( 1.320 0.494 2.350) 2.740 2.438 ( 2.710 0.015 -0.346) 2.732 2.466 ( 7.377 -1.938 1.600) 7.793 2.549 ( 2.827 1.777 4.152) 5.328 2.560 ( 4.673 0.026 -4.720) 6.642 2.620 ( 4.784 1.186 -0.774) 4.989 2.650 ( 2.220 -2.125 -2.333) 3.858 2.725 ( 1.487 -1.375 -3.221) 3.804 2.880 ( -1.141 -0.179 2.815) 3.043 2.934 ( 0.536 -1.974 -2.168) 2.981 3.015 ( 0.409 -0.555 6.755) 6.790 3.116 ( 1.374 0.002 -2.011) 2.436 3.279 ( -0.983 1.632 1.697) 2.551 3.308 ( -1.027 1.900 -1.116) 2.431 3.358 ( -4.663 1.158 1.360) 4.993 3.379 ( -5.420 0.609 -0.696) 5.498 4.123 ( 5.783 -0.800 0.327) 5.847 4.131 ( 5.747 -0.811 -0.374) 5.815 4.219 ( 7.532 -0.228 3.587) 8.345 4.333 ( 5.625 1.193 -7.826) 9.712 4.584 ( -1.090 0.161 1.315) 1.716 4.605 ( 0.781 0.326 -0.271) 0.889 4.671 ( 1.451 -0.100 0.241) 1.475 4.685 ( 0.529 -0.251 -1.185) 1.322 4.747 ( -0.816 0.520 1.790) 2.035 4.782 ( -2.165 -0.080 -0.485) 2.220 5.081 ( 1.142 -0.461 1.271) 1.770 5.099 ( 0.683 -0.110 -0.357) 0.779 5.161 ( -2.100 -0.712 4.868) 5.350 5.247 ( -1.738 1.223 -2.582) 3.344 5.285 ( -0.273 0.093 -0.700) 0.757 5.303 ( -1.629 0.606 -1.662) 2.404 5.377 ( -1.416 0.155 1.727) 2.239 5.396 ( -1.721 1.183 -0.288) 2.108 5.438 ( -0.366 -0.206 0.625) 0.753 5.459 ( -0.089 0.139 -1.261) 1.272 5.491 ( 2.491 -0.231 0.420) 2.537 5.508 ( 2.219 -1.607 -1.317) 3.040 5.572 ( 0.195 1.505 1.677) 2.261 5.590 ( -0.222 0.044 0.394) 0.454 5.772 ( 3.093 -0.085 0.034) 3.094 5.804 ( 3.295 -0.928 -3.221) 4.700 6.046 ( -1.751 1.749 5.731) 6.243 6.128 ( -2.562 1.503 -2.498) 3.881 6.891 ( -1.050 0.262 0.354) 1.138 6.900 ( -1.547 0.566 -0.510) 1.725 ======================= Grid point 178 (53/98) ======================= q-point: ( 0.23 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 3.611 -0.592 3.828) 5.295 1.045 ( 3.103 -0.753 -3.608) 4.818 1.215 ( 16.176 3.657 5.396) 17.440 1.243 ( 12.096 -1.505 9.085) 15.202 1.347 ( 12.725 2.348 -6.560) 14.508 1.409 ( 8.918 -3.103 -4.759) 10.574 1.696 ( 4.047 3.345 4.322) 6.800 1.727 ( 5.804 2.987 2.841) 7.118 1.775 ( 2.584 2.004 -1.781) 3.724 1.818 ( 7.541 2.070 -2.103) 8.097 1.854 ( 2.607 2.642 -1.639) 4.057 1.907 ( 1.324 5.229 -2.862) 6.106 2.005 ( 6.492 -1.552 2.224) 7.035 2.066 ( 8.027 -1.714 -1.994) 8.446 2.139 ( 2.894 -0.765 1.303) 3.265 2.186 ( 2.341 -1.077 -1.485) 2.974 2.215 ( 6.430 1.092 3.789) 7.543 2.256 ( 4.299 -1.495 3.868) 5.973 2.327 ( 6.675 -2.028 -2.034) 7.267 2.352 ( 5.305 -3.694 0.071) 6.465 2.443 ( 2.642 -0.298 -2.755) 3.829 2.492 ( 5.518 -3.036 -6.751) 9.233 2.599 ( 5.801 2.118 2.583) 6.694 2.648 ( 1.457 -0.602 0.002) 1.577 2.674 ( 5.322 0.060 -1.662) 5.576 2.687 ( 10.342 -2.797 0.483) 10.724 2.755 ( 8.436 -1.015 -2.066) 8.745 2.770 ( 3.668 -1.007 -4.105) 5.596 2.895 ( 2.546 -2.426 4.134) 5.428 2.967 ( 1.059 -2.494 -2.805) 3.900 3.037 ( 1.562 0.073 7.942) 8.095 3.142 ( 1.075 0.569 -1.872) 2.232 3.217 ( -4.656 1.001 1.720) 5.063 3.239 ( -4.669 0.036 -0.218) 4.674 3.263 ( -4.497 0.075 0.459) 4.521 3.271 ( -4.895 0.407 -0.487) 4.936 4.242 ( 5.738 -1.250 0.429) 5.888 4.251 ( 5.990 -1.158 -0.470) 6.119 4.337 ( 4.569 -0.008 2.436) 5.178 4.400 ( 2.376 0.751 -3.617) 4.393 4.571 ( -0.389 -0.468 1.701) 1.807 4.611 ( -0.224 -0.453 -1.940) 2.005 4.705 ( 2.399 0.637 0.266) 2.496 4.712 ( 1.955 0.244 -0.391) 2.008 4.745 ( 0.696 -0.418 1.041) 1.320 4.762 ( 0.142 -0.071 -0.082) 0.179 5.107 ( 1.260 0.390 0.676) 1.483 5.123 ( 1.710 0.419 -0.527) 1.838 5.145 ( -0.159 -0.628 2.991) 3.060 5.212 ( -1.176 0.430 -3.042) 3.290 5.269 ( -1.776 0.583 0.505) 1.937 5.284 ( 0.131 0.508 -0.702) 0.877 5.357 ( -0.021 1.120 0.365) 1.178 5.362 ( -0.840 1.846 -0.036) 2.029 5.429 ( -0.604 0.620 0.952) 1.286 5.450 ( -0.570 0.889 -1.022) 1.470 5.533 ( 1.984 0.299 0.271) 2.024 5.547 ( 1.673 -0.405 -1.100) 2.043 5.579 ( 1.568 0.801 1.166) 2.112 5.593 ( 0.796 0.338 0.058) 0.867 5.839 ( 3.656 0.305 0.745) 3.744 5.871 ( 3.315 -0.426 -2.411) 4.121 6.025 ( 0.165 1.494 3.774) 4.063 6.086 ( -1.014 1.530 -2.186) 2.854 6.847 ( -3.515 0.326 0.025) 3.530 6.847 ( -3.679 0.403 -0.031) 3.701 ======================= Grid point 179 (54/98) ======================= q-point: ( 0.31 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 2.486 -0.106 3.680) 4.442 1.103 ( 2.511 -0.591 -3.637) 4.459 1.437 ( 9.508 -0.377 5.877) 11.184 1.500 ( 10.935 4.032 2.264) 11.872 1.532 ( 9.515 1.892 -0.058) 9.701 1.612 ( 9.949 0.427 -3.163) 10.449 1.709 ( 1.263 3.904 0.965) 4.215 1.762 ( -1.037 3.621 -1.835) 4.190 1.831 ( 4.989 4.553 0.965) 6.822 1.860 ( 2.536 3.826 -1.219) 4.749 1.924 ( 2.065 1.527 -0.836) 2.701 1.943 ( 4.582 1.397 -2.688) 5.493 2.015 ( -1.533 4.062 6.241) 7.603 2.120 ( -1.630 1.295 -0.715) 2.201 2.155 ( 1.726 -1.763 -2.254) 3.342 2.170 ( -1.130 1.797 0.363) 2.153 2.256 ( -0.350 2.394 1.896) 3.074 2.327 ( -0.669 -0.185 2.980) 3.060 2.390 ( -1.182 1.677 -5.151) 5.544 2.441 ( 4.329 -3.094 2.563) 5.906 2.548 ( -0.757 0.255 -7.275) 7.319 2.575 ( 2.579 -3.958 -3.855) 6.097 2.644 ( 2.164 -2.168 2.088) 3.708 2.681 ( 0.443 -2.836 -1.704) 3.338 2.841 ( 5.960 -0.540 0.525) 6.008 2.867 ( 7.032 -0.513 -1.206) 7.153 2.920 ( 2.945 0.020 1.410) 3.265 2.932 ( 3.708 0.617 0.709) 3.825 2.993 ( 5.237 -1.396 -0.897) 5.494 2.993 ( 6.837 -1.142 -0.596) 6.957 3.061 ( 2.362 -0.300 5.845) 6.311 3.130 ( 1.951 -2.791 -1.284) 3.639 3.173 ( 1.067 -1.608 0.762) 2.075 3.197 ( -0.065 -2.186 -1.158) 2.474 3.218 ( 1.201 -2.518 1.499) 3.167 3.231 ( 2.299 -1.359 0.749) 2.774 4.346 ( 4.155 -0.912 0.609) 4.297 4.359 ( 4.322 -0.627 -0.605) 4.409 4.397 ( 2.028 -0.350 1.337) 2.455 4.428 ( 1.064 0.019 -1.553) 1.883 4.574 ( 0.536 -0.487 1.374) 1.553 4.609 ( 0.022 -0.313 -1.858) 1.884 4.747 ( 1.757 0.085 0.091) 1.762 4.750 ( 2.144 0.312 -0.149) 2.172 4.768 ( 1.183 -0.216 0.639) 1.362 4.778 ( 1.093 0.024 -0.214) 1.114 5.121 ( 0.575 0.515 0.678) 1.028 5.138 ( -0.357 1.171 0.098) 1.228 5.162 ( 2.135 0.381 0.283) 2.187 5.197 ( 0.017 0.482 -1.904) 1.964 5.254 ( 0.712 -0.422 1.582) 1.785 5.282 ( -0.005 -0.009 -0.977) 0.977 5.340 ( -0.691 2.099 0.964) 2.411 5.354 ( 0.205 2.248 -0.615) 2.340 5.403 ( -1.349 2.008 1.163) 2.684 5.425 ( -1.235 1.897 -0.950) 2.454 5.550 ( 0.137 0.456 0.232) 0.530 5.559 ( -0.532 0.080 -0.615) 0.817 5.660 ( 7.527 0.370 0.337) 7.544 5.667 ( 7.783 0.229 -0.232) 7.790 5.895 ( 2.380 1.079 1.016) 2.804 5.927 ( 2.237 0.041 -2.127) 3.087 6.029 ( 0.761 0.891 2.447) 2.713 6.068 ( -0.230 1.351 -1.369) 1.937 6.750 ( -6.294 0.359 0.173) 6.306 6.753 ( -6.204 0.225 -0.180) 6.211 ======================= Grid point 180 (55/98) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 1.544 0.008 3.836) 4.136 1.145 ( 1.576 -0.393 -3.774) 4.109 1.552 ( 1.342 4.221 2.131) 4.915 1.593 ( 4.094 2.429 0.825) 4.832 1.659 ( 2.927 2.490 2.595) 4.637 1.732 ( 3.250 0.851 -0.463) 3.392 1.749 ( 4.390 3.258 1.066) 5.570 1.773 ( 4.060 2.761 -0.191) 4.913 1.835 ( -1.216 3.984 0.631) 4.213 1.866 ( -0.019 4.211 -1.056) 4.341 1.952 ( -0.312 0.435 2.254) 2.317 1.966 ( 1.226 1.021 2.271) 2.775 2.013 ( 2.370 0.291 -1.603) 2.876 2.094 ( 0.869 2.054 -1.002) 2.445 2.173 ( 1.441 1.326 -0.718) 2.086 2.192 ( 2.970 1.547 -1.073) 3.517 2.235 ( -0.442 1.263 1.064) 1.709 2.304 ( -0.098 1.086 -4.429) 4.561 2.358 ( -1.569 0.252 0.780) 1.770 2.467 ( -2.362 -3.218 -3.252) 5.149 2.505 ( -3.224 0.123 -2.593) 4.139 2.535 ( -4.919 -3.707 -1.729) 6.397 2.707 ( 0.975 -0.652 1.077) 1.593 2.726 ( 1.509 -0.710 -1.064) 1.978 2.827 ( -4.922 0.629 0.834) 5.032 2.839 ( -5.205 0.045 -0.409) 5.221 2.870 ( -2.013 -0.306 0.966) 2.254 2.886 ( -2.420 -0.359 -0.583) 2.515 3.088 ( 3.099 -0.475 4.203) 5.244 3.129 ( 2.952 -0.472 -1.163) 3.207 3.169 ( 2.668 -1.304 1.751) 3.448 3.189 ( -0.043 -1.393 0.638) 1.532 3.301 ( 9.859 -3.049 -0.039) 10.319 3.309 ( 10.241 -2.244 -0.389) 10.491 3.370 ( 9.943 -2.508 0.459) 10.265 3.377 ( 9.008 -1.980 -0.071) 9.223 4.386 ( 0.315 0.789 0.663) 1.078 4.400 ( 0.315 1.101 -0.629) 1.306 4.446 ( 2.411 -1.847 0.949) 3.182 4.464 ( 2.162 -1.459 -0.732) 2.709 4.597 ( 1.442 -0.734 0.633) 1.737 4.621 ( 0.890 -0.558 -1.518) 1.846 4.766 ( 0.151 0.220 0.081) 0.279 4.771 ( 0.265 0.206 -0.428) 0.544 4.793 ( 1.079 0.134 0.491) 1.193 4.799 ( 1.473 0.094 -0.053) 1.477 5.123 ( 0.107 1.174 0.832) 1.443 5.128 ( 0.298 0.922 0.197) 0.989 5.199 ( 1.721 0.284 -1.225) 2.131 5.206 ( 0.645 0.146 -1.610) 1.740 5.284 ( 0.202 0.738 1.010) 1.268 5.285 ( 1.729 -0.255 1.131) 2.081 5.311 ( -0.998 1.553 1.308) 2.262 5.337 ( -0.704 1.964 -1.053) 2.337 5.364 ( -1.225 1.729 0.980) 2.334 5.389 ( -1.306 1.648 -1.167) 2.405 5.543 ( -0.678 -0.028 0.092) 0.685 5.548 ( -0.262 0.372 -0.406) 0.609 5.841 ( 9.953 0.415 0.780) 9.992 5.859 ( 11.181 0.599 -0.902) 11.234 5.923 ( 2.283 1.167 1.227) 2.843 5.957 ( 1.644 0.259 -2.095) 2.676 6.039 ( 0.593 0.255 1.562) 1.690 6.061 ( 0.037 0.751 -0.598) 0.961 6.601 ( -8.971 0.313 0.244) 8.980 6.607 ( -8.948 0.135 -0.261) 8.953 ======================= Grid point 181 (56/98) ======================= q-point: ( 0.46 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 0.518 0.008 3.937) 3.971 1.166 ( 0.517 -0.151 -3.853) 3.890 1.522 ( -0.763 2.650 3.493) 4.450 1.607 ( 0.257 1.834 -4.574) 4.934 1.712 ( 1.444 -0.549 5.238) 5.461 1.725 ( -1.259 2.394 4.332) 5.107 1.771 ( 1.237 0.814 -0.255) 1.503 1.815 ( -0.794 1.048 -1.118) 1.726 1.826 ( 0.821 1.707 2.258) 2.948 1.844 ( 1.239 0.790 -0.991) 1.772 1.958 ( 0.150 -0.881 3.466) 3.579 1.979 ( 0.602 0.501 0.196) 0.808 2.043 ( 0.733 0.021 -3.101) 3.186 2.105 ( -0.026 0.067 -5.161) 5.161 2.186 ( 0.639 1.419 2.310) 2.786 2.246 ( 2.344 0.946 0.448) 2.567 2.251 ( 2.940 2.233 1.111) 3.855 2.321 ( -1.151 -0.613 2.254) 2.604 2.335 ( 3.184 3.192 -7.294) 8.575 2.419 ( -4.086 -2.328 -4.728) 6.668 2.437 ( -3.509 -2.685 0.857) 4.501 2.474 ( -2.269 -1.264 -4.523) 5.216 2.699 ( -0.924 0.113 1.812) 2.037 2.717 ( -0.989 -1.454 0.191) 1.769 2.744 ( -2.454 1.395 1.669) 3.279 2.781 ( -1.528 -0.119 -1.992) 2.513 2.857 ( 0.008 -0.379 1.196) 1.255 2.871 ( -0.021 -0.562 -0.211) 0.601 3.131 ( 1.380 0.075 3.827) 4.069 3.155 ( -0.050 -0.241 1.011) 1.041 3.196 ( 0.368 -0.693 0.432) 0.896 3.203 ( 0.587 -0.785 -0.435) 1.073 3.455 ( 3.921 -0.426 0.127) 3.946 3.455 ( 3.979 -0.544 0.043) 4.016 3.520 ( 4.032 -0.821 0.362) 4.131 3.529 ( 4.388 -1.161 -0.484) 4.565 4.379 ( -0.283 0.378 0.654) 0.807 4.391 ( -0.304 0.503 -0.471) 0.753 4.488 ( 1.021 -0.830 0.813) 1.546 4.501 ( 0.892 -0.587 -0.374) 1.131 4.627 ( 0.910 -0.512 -0.052) 1.045 4.641 ( 0.674 -0.467 -1.433) 1.651 4.761 ( -0.263 0.323 0.113) 0.431 4.765 ( -0.363 0.365 -0.261) 0.577 4.810 ( 0.553 -0.018 0.690) 0.885 4.822 ( 0.683 -0.168 -0.402) 0.810 5.126 ( 0.254 0.578 0.272) 0.687 5.130 ( 0.461 0.287 0.048) 0.545 5.204 ( -0.578 0.489 0.203) 0.784 5.220 ( 0.517 0.252 -1.619) 1.718 5.280 ( 0.002 0.287 0.876) 0.922 5.295 ( -0.095 0.781 0.293) 0.839 5.310 ( 0.505 0.337 0.923) 1.105 5.314 ( -0.454 0.616 0.587) 0.965 5.349 ( -0.035 0.133 -0.045) 0.145 5.366 ( -0.411 0.443 -1.164) 1.311 5.533 ( -0.284 0.003 0.373) 0.469 5.544 ( -0.109 0.075 -0.600) 0.615 5.906 ( 0.311 0.611 1.266) 1.439 5.939 ( 0.430 0.502 -1.935) 2.045 6.023 ( 0.930 0.326 1.506) 1.800 6.048 ( 0.915 0.293 -1.008) 1.393 6.110 ( 9.728 -0.147 0.356) 9.736 6.116 ( 9.159 -0.248 -0.159) 9.163 6.414 ( -9.409 0.227 0.349) 9.418 6.422 ( -9.222 0.060 -0.372) 9.230 ======================= Grid point 189 (57/98) ======================= q-point: ( 0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 9.443 0.000 8.913) 12.985 0.905 ( 17.869 0.000 7.118) 19.235 0.979 ( 4.698 0.000 -4.055) 6.206 1.059 ( 4.557 0.000 8.717) 9.837 1.110 ( 13.532 0.000 -10.319) 17.017 1.233 ( 6.084 0.000 -6.141) 8.644 1.474 ( 28.341 0.000 9.694) 29.953 1.568 ( 16.562 0.000 1.768) 16.656 1.619 ( 7.730 0.000 6.367) 10.015 1.679 ( 4.332 0.000 -0.833) 4.412 1.698 ( 6.611 0.000 -3.034) 7.274 1.809 ( 13.082 0.000 -10.466) 16.753 1.912 ( 6.894 0.000 2.348) 7.283 1.925 ( 0.780 0.000 -2.913) 3.016 2.041 ( 9.395 0.000 -2.197) 9.649 2.044 ( 1.493 0.000 -3.229) 3.558 2.126 ( 5.905 0.000 -1.699) 6.145 2.127 ( 5.699 0.000 -1.075) 5.799 2.224 ( -0.066 -0.000 4.965) 4.966 2.280 ( -0.178 -0.000 -1.411) 1.422 2.400 ( 1.403 0.000 3.091) 3.395 2.435 ( 3.172 0.000 0.560) 3.221 2.457 ( 6.659 0.000 0.304) 6.666 2.545 ( 2.959 0.000 -2.082) 3.618 2.585 ( 5.314 0.000 1.830) 5.621 2.608 ( 3.654 0.000 0.904) 3.765 2.649 ( 2.921 0.000 -4.373) 5.258 2.715 ( 1.370 0.000 -4.093) 4.316 2.878 ( -1.499 -0.000 2.707) 3.094 2.924 ( 0.192 0.000 -1.785) 1.795 3.012 ( 0.597 0.000 7.097) 7.122 3.116 ( 1.692 0.000 -2.073) 2.675 3.288 ( -1.164 -0.000 1.704) 2.063 3.318 ( -1.411 -0.000 -1.234) 1.874 3.365 ( -4.598 -0.000 1.254) 4.765 3.382 ( -5.795 -0.000 -0.473) 5.815 4.119 ( 5.744 0.000 0.321) 5.753 4.126 ( 5.711 0.000 -0.373) 5.723 4.218 ( 7.607 0.000 3.746) 8.479 4.340 ( 5.339 0.000 -8.566) 10.093 4.585 ( -1.491 -0.000 1.388) 2.037 4.607 ( 0.377 0.000 -0.249) 0.452 4.670 ( 1.845 0.000 0.127) 1.850 4.684 ( 0.603 0.000 -1.122) 1.273 4.751 ( -1.223 -0.000 1.465) 1.908 4.781 ( -2.030 -0.000 0.013) 2.030 5.078 ( 1.567 0.000 1.484) 2.158 5.099 ( 0.902 0.000 -0.412) 0.992 5.157 ( -2.164 -0.000 4.990) 5.439 5.255 ( -2.565 -0.000 -4.133) 4.864 5.285 ( 0.241 0.000 0.544) 0.595 5.307 ( -1.512 -0.000 -1.493) 2.125 5.378 ( -1.433 -0.000 1.929) 2.403 5.403 ( -1.509 -0.000 -0.655) 1.645 5.437 ( -0.469 -0.000 0.843) 0.964 5.460 ( -0.066 -0.000 -1.277) 1.279 5.491 ( 2.594 0.000 -0.200) 2.601 5.496 ( 3.103 0.000 -0.692) 3.179 5.585 ( -0.649 -0.000 1.278) 1.434 5.586 ( 0.287 0.000 1.205) 1.239 5.771 ( 3.067 0.000 -0.235) 3.076 5.798 ( 3.671 0.000 -3.385) 4.994 6.056 ( -2.055 -0.000 5.690) 6.049 6.136 ( -2.732 -0.000 -2.412) 3.645 6.892 ( -1.056 -0.000 0.416) 1.135 6.903 ( -1.654 -0.000 -0.616) 1.765 ======================= Grid point 190 (58/98) ======================= q-point: ( 0.15 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 4.134 -0.272 3.788) 5.614 1.039 ( 3.215 -0.298 -3.614) 4.846 1.217 ( 10.821 -0.712 9.119) 14.169 1.263 ( 18.016 2.070 4.631) 18.716 1.366 ( 9.741 0.981 -4.673) 10.848 1.386 ( 12.417 -1.089 -5.473) 13.613 1.728 ( 3.830 2.330 3.044) 5.419 1.744 ( 6.429 0.246 3.852) 7.499 1.778 ( 2.256 -0.541 -1.637) 2.839 1.831 ( 8.593 0.474 -0.475) 8.619 1.889 ( 0.689 2.741 -2.341) 3.670 1.963 ( 1.337 3.804 -3.917) 5.621 1.978 ( 13.503 -2.272 2.512) 13.922 2.074 ( 7.130 2.301 -4.378) 8.677 2.118 ( 4.192 -1.673 1.022) 4.627 2.145 ( 6.545 -5.131 -2.245) 8.614 2.233 ( 5.856 2.050 4.000) 7.382 2.249 ( 4.846 -0.665 3.396) 5.955 2.312 ( 4.084 -0.442 1.740) 4.462 2.319 ( 4.312 -1.948 2.018) 5.144 2.450 ( 5.300 0.855 -5.514) 7.695 2.469 ( 1.775 -1.238 -5.341) 5.762 2.614 ( 4.955 0.923 3.013) 5.872 2.630 ( 4.844 -1.669 0.554) 5.153 2.673 ( 7.922 -0.241 0.347) 7.933 2.683 ( 1.943 0.721 -2.555) 3.290 2.748 ( 10.759 -0.303 -3.636) 11.361 2.762 ( 4.605 -0.339 -4.118) 6.187 2.876 ( 1.836 -0.999 4.139) 4.637 2.946 ( 1.640 -1.111 -2.996) 3.592 3.038 ( 1.851 0.050 8.660) 8.856 3.146 ( 0.821 0.197 -1.843) 2.027 3.225 ( -5.208 0.343 1.514) 5.435 3.238 ( -5.670 -0.104 0.138) 5.672 3.263 ( -5.633 -0.027 0.537) 5.659 3.275 ( -5.293 0.213 -0.679) 5.341 4.232 ( 5.727 -0.466 0.450) 5.763 4.242 ( 6.050 -0.434 -0.512) 6.087 4.337 ( 4.663 0.007 2.607) 5.342 4.406 ( 2.146 0.272 -3.985) 4.534 4.567 ( -0.363 -0.174 1.722) 1.768 4.608 ( -0.151 -0.187 -1.910) 1.925 4.710 ( 2.128 0.280 -0.047) 2.147 4.714 ( 2.287 0.034 -0.440) 2.330 4.742 ( 0.468 -0.163 1.316) 1.406 4.762 ( 0.133 0.003 -0.060) 0.146 5.110 ( 1.309 0.130 0.690) 1.485 5.126 ( 1.744 0.198 -0.654) 1.873 5.140 ( 0.428 -0.226 3.447) 3.480 5.215 ( -1.094 0.160 -3.311) 3.491 5.273 ( -2.188 0.233 0.374) 2.232 5.287 ( -0.190 0.151 -0.815) 0.851 5.366 ( 0.505 0.425 0.732) 0.986 5.376 ( -0.892 0.689 -0.282) 1.162 5.433 ( -0.124 0.172 1.119) 1.139 5.457 ( -0.260 0.302 -1.098) 1.168 5.536 ( 2.192 0.216 -0.116) 2.206 5.543 ( 1.858 -0.260 -0.824) 2.049 5.586 ( 1.240 0.426 1.260) 1.819 5.595 ( 0.909 0.033 0.477) 1.027 5.841 ( 3.884 0.111 0.364) 3.902 5.868 ( 3.492 -0.195 -2.392) 4.237 6.037 ( -0.123 0.578 3.816) 3.862 6.098 ( -1.186 0.565 -2.157) 2.526 6.849 ( -3.497 0.109 0.069) 3.499 6.850 ( -3.828 0.168 -0.079) 3.833 ======================= Grid point 191 (59/98) ======================= q-point: ( 0.23 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 2.599 -0.054 3.463) 4.330 1.098 ( 2.659 -0.334 -3.471) 4.385 1.429 ( 10.187 -0.676 6.979) 12.367 1.522 ( 7.505 0.199 -1.329) 7.624 1.560 ( 13.368 3.064 2.476) 13.937 1.623 ( 10.675 1.138 -3.014) 11.150 1.743 ( 0.547 2.491 0.927) 2.713 1.779 ( -1.136 -0.040 -0.599) 1.285 1.867 ( 4.543 2.396 -0.682) 5.181 1.891 ( 1.929 1.586 -1.337) 2.833 1.941 ( 3.203 1.173 -0.833) 3.511 1.974 ( 2.739 4.102 -2.755) 5.650 2.060 ( 0.026 3.974 2.578) 4.737 2.119 ( -0.461 -1.202 -1.974) 2.357 2.152 ( 1.071 0.751 1.931) 2.333 2.180 ( -0.578 -0.152 0.702) 0.922 2.279 ( -1.290 1.822 3.149) 3.860 2.326 ( -0.538 0.166 6.294) 6.319 2.403 ( 1.397 -0.017 -1.676) 2.182 2.417 ( 1.836 -0.533 -2.712) 3.318 2.527 ( 6.322 -4.276 -3.422) 8.364 2.544 ( -0.164 -0.665 -8.827) 8.853 2.619 ( -0.305 -1.995 1.754) 2.674 2.652 ( -0.074 -2.228 -1.733) 2.823 2.841 ( 8.284 0.413 0.780) 8.330 2.864 ( 6.281 -0.265 -0.289) 6.294 2.925 ( 6.523 0.832 0.410) 6.588 2.944 ( 6.248 1.522 -0.199) 6.434 2.979 ( 6.325 -1.159 -0.689) 6.467 2.985 ( 5.742 -0.441 -0.621) 5.792 3.060 ( 1.141 0.106 4.442) 4.587 3.103 ( -1.133 -1.890 -0.878) 2.372 3.151 ( -1.403 -1.868 0.496) 2.388 3.167 ( -0.429 -2.805 -0.821) 2.954 3.200 ( 0.808 -0.870 2.323) 2.608 3.226 ( 2.120 0.008 0.993) 2.341 4.336 ( 4.599 -0.769 0.748) 4.723 4.352 ( 4.825 -0.560 -0.741) 4.913 4.396 ( 1.697 -0.003 1.408) 2.205 4.429 ( 0.531 0.131 -1.731) 1.816 4.571 ( 0.667 -0.123 1.467) 1.616 4.608 ( 0.191 -0.024 -1.898) 1.908 4.747 ( 1.656 -0.037 0.100) 1.660 4.752 ( 1.696 0.088 -0.404) 1.746 4.766 ( 1.606 -0.064 0.824) 1.806 4.779 ( 1.291 0.117 -0.222) 1.316 5.126 ( 0.749 0.314 0.708) 1.077 5.150 ( 0.461 0.910 -0.829) 1.315 5.166 ( 1.913 0.219 1.198) 2.267 5.202 ( -0.506 0.248 -1.323) 1.437 5.250 ( 0.627 -0.262 1.371) 1.531 5.281 ( -0.108 -0.172 -1.478) 1.492 5.355 ( -1.143 0.901 1.138) 1.848 5.373 ( 0.101 1.171 -0.623) 1.330 5.420 ( -0.982 1.183 1.099) 1.890 5.442 ( -1.069 1.068 -0.892) 1.755 5.555 ( -0.195 0.305 0.099) 0.375 5.561 ( -0.129 0.107 -0.445) 0.476 5.664 ( 7.346 0.272 0.329) 7.359 5.669 ( 7.811 0.087 -0.068) 7.811 5.904 ( 2.663 0.635 0.468) 2.777 5.927 ( 2.407 -0.074 -1.857) 3.041 6.037 ( 0.381 0.576 2.689) 2.776 6.080 ( -0.488 0.787 -1.490) 1.754 6.753 ( -6.342 0.217 0.115) 6.347 6.755 ( -6.263 0.124 -0.123) 6.265 ======================= Grid point 192 (60/98) ======================= q-point: ( 0.31 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 1.571 0.028 3.656) 3.979 1.141 ( 1.697 -0.257 -3.609) 3.996 1.586 ( 4.167 2.002 3.537) 5.821 1.613 ( 3.486 1.575 2.708) 4.687 1.692 ( 1.289 3.251 -0.893) 3.609 1.736 ( 2.518 0.242 -1.059) 2.742 1.782 ( 4.157 2.457 0.147) 4.831 1.790 ( 3.715 0.434 -0.742) 3.813 1.882 ( -2.791 4.638 2.357) 5.904 1.895 ( -0.088 0.591 2.283) 2.360 1.958 ( -1.155 1.504 -2.367) 3.033 1.983 ( -1.227 1.499 -0.810) 2.100 2.028 ( 1.986 2.386 0.409) 3.132 2.104 ( -0.507 -0.497 -1.968) 2.092 2.188 ( 3.194 2.248 1.771) 4.289 2.216 ( 4.137 1.739 1.505) 4.734 2.247 ( -1.054 1.023 0.861) 1.702 2.310 ( -0.049 -0.030 1.220) 1.221 2.365 ( -1.439 1.157 -4.085) 4.483 2.430 ( -2.663 -3.121 -1.463) 4.356 2.484 ( -6.191 -3.678 -0.900) 7.257 2.515 ( -2.618 -0.201 -6.769) 7.260 2.693 ( 1.902 -1.563 1.054) 2.678 2.716 ( 3.032 -1.131 -1.430) 3.538 2.835 ( -4.884 1.049 0.600) 5.031 2.846 ( -4.765 0.702 -0.092) 4.817 2.870 ( -3.728 0.455 0.651) 3.812 2.883 ( -3.504 -0.175 -0.542) 3.550 3.084 ( 3.450 -0.186 4.053) 5.326 3.123 ( 2.851 -0.704 -0.965) 3.091 3.156 ( 1.913 -1.180 1.656) 2.792 3.172 ( 0.971 -1.508 0.794) 1.961 3.272 ( 11.659 -2.205 -0.118) 11.866 3.287 ( 12.186 -1.880 -1.063) 12.375 3.348 ( 10.016 -1.406 1.116) 10.175 3.359 ( 9.282 -1.325 0.196) 9.378 4.393 ( 0.312 0.556 0.757) 0.990 4.410 ( 0.416 0.700 -0.768) 1.119 4.428 ( 2.381 -1.362 1.025) 2.928 4.449 ( 2.263 -1.367 -0.857) 2.779 4.594 ( 1.597 -0.039 0.766) 1.771 4.619 ( 1.006 0.106 -1.536) 1.840 4.769 ( 0.469 0.274 0.017) 0.543 4.773 ( 0.566 0.119 -0.414) 0.711 4.794 ( 0.998 -0.065 0.457) 1.100 4.799 ( 0.959 0.001 -0.067) 0.962 5.135 ( 0.367 0.892 0.490) 1.082 5.140 ( -0.250 1.301 0.299) 1.358 5.200 ( 1.364 -0.334 -0.777) 1.605 5.205 ( 0.780 -0.164 -1.184) 1.427 5.283 ( 1.944 -0.104 1.130) 2.251 5.289 ( 0.706 0.260 0.325) 0.819 5.322 ( -1.647 0.611 1.581) 2.363 5.354 ( -1.267 1.078 -1.364) 2.151 5.383 ( -1.931 1.590 1.034) 2.707 5.406 ( -1.755 1.383 -1.057) 2.472 5.543 ( -0.705 -0.014 0.287) 0.761 5.552 ( -0.422 0.337 -0.598) 0.806 5.845 ( 10.148 0.295 0.892) 10.192 5.864 ( 11.695 0.321 -0.824) 11.729 5.936 ( 1.783 1.139 0.560) 2.189 5.959 ( 1.399 -0.043 -1.688) 2.193 6.042 ( 0.287 0.219 1.829) 1.865 6.068 ( -0.339 0.594 -0.799) 1.052 6.604 ( -8.993 0.253 0.154) 8.998 6.608 ( -9.011 0.071 -0.173) 9.013 ======================= Grid point 193 (61/98) ======================= q-point: ( 0.38 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 0.502 0.016 3.845) 3.878 1.165 ( 0.653 -0.137 -3.778) 3.837 1.558 ( -2.201 3.705 2.760) 5.117 1.633 ( -1.151 2.883 -4.030) 5.087 1.705 ( 0.935 -0.615 5.104) 5.225 1.757 ( -2.559 3.655 4.470) 6.315 1.779 ( 0.835 0.516 -0.850) 1.298 1.825 ( -0.170 0.845 -0.620) 1.062 1.842 ( -0.389 -0.399 -0.056) 0.559 1.845 ( -2.675 1.273 2.001) 3.575 1.935 ( -0.007 -2.640 2.516) 3.647 1.982 ( -0.147 -0.782 0.084) 0.801 2.050 ( 0.675 1.134 -2.846) 3.137 2.102 ( -0.008 -0.432 -5.050) 5.069 2.199 ( -1.168 0.908 2.413) 2.831 2.252 ( 0.554 0.058 0.131) 0.573 2.270 ( 1.484 0.796 1.693) 2.388 2.314 ( -1.320 -0.447 3.161) 3.455 2.356 ( -0.476 -0.264 -8.768) 8.785 2.391 ( -1.225 -1.155 -2.980) 3.423 2.418 ( 0.307 -0.417 1.204) 1.310 2.474 ( -0.733 0.717 -5.725) 5.816 2.695 ( -1.186 -1.178 1.640) 2.342 2.709 ( -1.136 0.175 -0.241) 1.174 2.763 ( -1.967 2.071 0.879) 2.989 2.780 ( -1.388 0.180 -1.226) 1.860 2.850 ( 0.238 -0.800 1.189) 1.453 2.863 ( 0.447 -0.966 -0.170) 1.078 3.132 ( 1.518 0.128 3.726) 4.026 3.152 ( 0.002 -0.287 1.460) 1.488 3.187 ( 1.076 -0.824 0.267) 1.381 3.195 ( 1.325 -0.723 -0.474) 1.582 3.452 ( 5.207 0.150 0.171) 5.212 3.456 ( 4.567 0.471 -0.012) 4.591 3.509 ( 4.645 -1.210 0.185) 4.803 3.513 ( 5.217 -1.635 -0.290) 5.475 4.381 ( -0.773 0.048 0.691) 1.038 4.395 ( -0.913 0.175 -0.559) 1.085 4.479 ( 1.808 -0.801 0.904) 2.174 4.494 ( 1.471 -0.655 -0.467) 1.676 4.626 ( 1.572 0.301 0.024) 1.601 4.641 ( 1.283 0.375 -1.410) 1.943 4.766 ( -0.400 0.511 0.119) 0.659 4.770 ( -0.459 0.614 -0.329) 0.834 4.807 ( 0.313 -0.500 0.583) 0.829 4.817 ( 0.492 -0.718 -0.324) 0.929 5.131 ( -0.368 0.506 0.189) 0.654 5.134 ( 0.095 0.434 0.107) 0.457 5.207 ( -0.589 0.052 0.231) 0.634 5.223 ( 0.483 0.244 -1.580) 1.670 5.281 ( -0.764 0.060 1.300) 1.509 5.301 ( -0.731 0.521 0.134) 0.908 5.313 ( 0.843 0.227 0.971) 1.306 5.322 ( -1.273 0.696 0.203) 1.465 5.349 ( -0.637 -0.082 0.135) 0.657 5.371 ( -1.086 0.450 -1.260) 1.723 5.533 ( -0.306 -0.059 0.438) 0.538 5.545 ( -0.204 0.112 -0.670) 0.709 5.912 ( -0.222 0.533 1.204) 1.335 5.944 ( -0.126 0.449 -1.903) 1.959 6.027 ( 0.544 0.343 1.511) 1.642 6.052 ( 0.572 0.320 -0.983) 1.182 6.109 ( 9.785 -0.123 0.298) 9.790 6.113 ( 9.512 -0.248 -0.105) 9.516 6.416 ( -9.528 0.205 0.264) 9.533 6.422 ( -9.248 0.036 -0.290) 9.253 ======================= Grid point 194 (62/98) ======================= q-point: (-0.54 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -0.517 -0.007 4.012) 4.045 1.168 ( -0.345 0.127 -3.924) 3.941 1.506 ( -1.583 -0.263 3.714) 4.046 1.594 ( -2.031 -0.629 -4.743) 5.198 1.703 ( -0.559 -1.688 4.782) 5.102 1.718 ( -1.321 0.556 4.033) 4.280 1.764 ( -2.235 -0.273 -0.275) 2.268 1.794 ( -1.600 -3.040 0.494) 3.471 1.814 ( -2.005 -1.002 -0.200) 2.251 1.826 ( -2.269 -1.852 0.143) 2.932 1.950 ( -0.348 -1.426 3.336) 3.645 1.977 ( -0.507 -0.925 3.314) 3.478 2.048 ( -0.359 0.733 -3.019) 3.127 2.102 ( -0.788 -0.005 -5.139) 5.200 2.173 ( -1.379 -1.049 0.578) 1.826 2.227 ( -3.713 -2.050 0.385) 4.259 2.237 ( -2.318 -0.816 -0.097) 2.459 2.301 ( -2.540 -2.435 -8.997) 9.661 2.326 ( 1.279 0.148 2.746) 3.033 2.416 ( 1.669 -2.010 -5.813) 6.373 2.475 ( 4.472 3.689 0.878) 5.864 2.504 ( 4.383 3.555 -1.801) 5.924 2.698 ( 0.607 -0.330 2.554) 2.645 2.727 ( 2.218 0.144 -0.205) 2.232 2.742 ( 1.449 1.335 1.500) 2.477 2.781 ( 1.784 -0.176 -2.040) 2.716 2.858 ( 0.294 -0.014 1.319) 1.351 2.876 ( 0.570 0.474 -0.405) 0.845 3.130 ( -1.300 -0.007 3.876) 4.088 3.157 ( 0.264 0.120 0.703) 0.761 3.202 ( 0.189 0.387 0.712) 0.832 3.211 ( 0.091 0.676 -0.517) 0.856 3.463 ( -3.196 1.088 0.234) 3.385 3.466 ( -3.109 1.348 -0.135) 3.392 3.526 ( -3.227 0.249 0.483) 3.273 3.537 ( -3.265 0.366 -0.577) 3.336 4.373 ( -0.187 -0.683 0.618) 0.940 4.384 ( -0.296 -0.773 -0.404) 0.921 4.496 ( -0.211 0.640 0.680) 0.957 4.506 ( -0.343 0.349 -0.254) 0.551 4.638 ( -0.097 1.486 -0.145) 1.496 4.652 ( 0.087 1.476 -1.501) 2.107 4.759 ( 0.034 -0.095 0.171) 0.199 4.762 ( 0.102 -0.042 -0.198) 0.227 4.807 ( -0.686 -0.582 0.761) 1.178 4.820 ( -0.694 -0.572 -0.424) 0.994 5.119 ( -0.742 -0.539 0.305) 0.967 5.128 ( -0.776 -0.180 -0.174) 0.815 5.197 ( -0.028 -0.676 0.614) 0.914 5.218 ( -0.778 -0.086 -1.605) 1.786 5.274 ( -0.548 -0.888 0.356) 1.103 5.285 ( -0.876 -1.036 0.029) 1.357 5.305 ( -0.393 -0.406 1.099) 1.236 5.313 ( -0.432 0.229 0.578) 0.757 5.346 ( -0.232 -0.423 0.163) 0.509 5.361 ( -0.103 -0.470 -1.040) 1.146 5.533 ( 0.268 -0.063 0.390) 0.477 5.543 ( 0.063 0.019 -0.593) 0.597 5.899 ( -0.924 -0.534 1.312) 1.691 5.934 ( -0.981 -0.439 -1.995) 2.266 6.020 ( -1.302 -0.234 1.525) 2.019 6.046 ( -1.244 -0.191 -1.029) 1.625 6.112 ( -9.660 0.134 0.400) 9.669 6.118 ( -8.887 0.202 -0.198) 8.891 6.412 ( 9.305 -0.203 0.427) 9.317 6.421 ( 9.174 -0.063 -0.447) 9.185 ======================= Grid point 195 (63/98) ======================= q-point: (-0.46 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -1.507 0.032 4.060) 4.330 1.149 ( -1.415 0.464 -3.968) 4.238 1.501 ( -1.354 -4.858 2.300) 5.543 1.558 ( -3.686 -3.891 -2.249) 5.813 1.642 ( -5.131 -0.916 5.194) 7.359 1.696 ( -6.098 -4.956 -0.593) 7.880 1.727 ( -2.143 -2.328 3.781) 4.930 1.743 ( -4.276 -1.835 0.828) 4.726 1.795 ( -0.568 -3.391 -1.126) 3.618 1.821 ( -0.384 -3.654 -2.335) 4.353 1.933 ( -1.715 -2.513 6.468) 7.148 1.969 ( -1.066 0.949 1.162) 1.841 2.020 ( -1.983 1.416 -1.967) 3.132 2.069 ( -1.695 -2.479 -2.453) 3.877 2.145 ( -2.262 -2.859 1.140) 3.819 2.198 ( 0.753 1.419 -5.257) 5.497 2.222 ( -0.162 -0.713 0.625) 0.962 2.288 ( 0.037 -1.882 -7.447) 7.681 2.358 ( 1.732 0.240 3.164) 3.615 2.472 ( 2.692 -2.234 -7.708) 8.465 2.520 ( 1.766 3.010 3.006) 4.606 2.572 ( 3.978 2.863 -1.053) 5.013 2.706 ( -0.523 -0.477 1.495) 1.654 2.735 ( -0.568 1.051 -1.103) 1.626 2.820 ( 4.859 -0.488 1.465) 5.099 2.844 ( 4.579 0.503 -1.012) 4.717 2.876 ( 1.987 0.668 0.912) 2.286 2.892 ( 2.106 0.824 -0.629) 2.347 3.094 ( -2.515 0.540 4.610) 5.279 3.135 ( -2.976 0.594 -0.837) 3.148 3.183 ( -2.919 1.285 1.039) 3.354 3.199 ( -0.076 0.548 0.539) 0.772 3.333 ( -8.865 2.540 0.145) 9.222 3.336 ( -8.355 2.832 -0.160) 8.823 3.399 ( -8.886 2.669 -0.052) 9.278 3.400 ( -8.455 2.351 -0.079) 8.776 4.376 ( -0.358 -1.079 0.558) 1.266 4.386 ( -0.418 -1.393 -0.427) 1.516 4.466 ( -2.140 1.792 0.703) 2.878 4.479 ( -1.959 1.229 -0.499) 2.366 4.611 ( -1.319 1.880 0.458) 2.342 4.632 ( -0.853 1.691 -1.529) 2.434 4.764 ( 0.128 -0.132 0.112) 0.215 4.769 ( -0.135 -0.262 -0.317) 0.433 4.791 ( -0.969 -0.341 0.555) 1.167 4.797 ( -1.752 -0.317 -0.048) 1.781 5.111 ( -0.170 -0.903 0.830) 1.238 5.119 ( -0.370 -0.675 0.152) 0.785 5.195 ( -1.792 -0.539 -1.319) 2.290 5.201 ( -0.596 -0.880 -1.837) 2.123 5.271 ( -0.328 -1.787 1.302) 2.235 5.285 ( -0.519 -1.727 0.315) 1.831 5.291 ( -0.797 -0.706 1.711) 2.015 5.316 ( 0.293 -1.668 -0.583) 1.791 5.348 ( 0.337 -1.204 0.803) 1.486 5.372 ( 0.654 -1.596 -1.131) 2.062 5.543 ( 0.756 -0.041 -0.023) 0.757 5.545 ( 0.088 -0.115 -0.239) 0.279 5.836 ( -9.691 -0.435 0.627) 9.721 5.851 ( -10.214 -0.857 -0.779) 10.280 5.912 ( -3.432 -0.889 1.592) 3.886 5.953 ( -1.854 -0.448 -2.412) 3.075 6.036 ( -0.914 -0.207 1.296) 1.600 6.053 ( -0.490 -0.692 -0.349) 0.917 6.598 ( 8.936 -0.308 0.327) 8.947 6.605 ( 8.887 -0.156 -0.343) 8.895 ======================= Grid point 196 (64/98) ======================= q-point: (-0.38 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -2.363 0.139 3.979) 4.629 1.110 ( -2.357 0.709 -3.864) 4.582 1.413 ( -11.208 -5.124 3.299) 12.758 1.474 ( -8.776 -0.689 3.058) 9.319 1.506 ( -8.017 -2.387 1.032) 8.429 1.616 ( -7.455 0.391 -3.270) 8.149 1.660 ( -2.361 -5.023 0.746) 5.600 1.708 ( -0.518 -5.125 -1.675) 5.417 1.775 ( -5.126 -5.338 2.577) 7.836 1.819 ( -2.024 -3.813 -1.075) 4.449 1.918 ( -2.915 -0.699 -1.104) 3.194 1.929 ( -3.035 -1.008 -0.673) 3.268 1.982 ( 0.454 -1.679 6.415) 6.647 2.099 ( 2.068 -2.589 -1.084) 3.486 2.146 ( 0.919 -1.954 0.802) 2.304 2.184 ( -1.063 2.990 -4.756) 5.718 2.231 ( -0.212 -2.142 1.277) 2.503 2.321 ( 1.671 -1.501 -4.614) 5.132 2.379 ( -0.036 -0.243 0.990) 1.020 2.474 ( -4.202 2.909 2.121) 5.533 2.535 ( 0.952 -2.239 -5.209) 5.749 2.604 ( -0.442 1.483 -3.709) 4.018 2.662 ( -3.412 1.164 1.749) 4.007 2.709 ( -0.859 2.300 -2.068) 3.210 2.852 ( -3.131 1.171 1.315) 3.592 2.881 ( -4.861 1.972 -1.394) 5.428 2.924 ( -0.734 0.877 1.289) 1.723 2.933 ( -0.950 0.699 0.657) 1.350 3.009 ( -5.053 1.922 -0.638) 5.444 3.011 ( -7.649 1.959 -0.751) 7.931 3.067 ( -3.829 0.714 7.290) 8.266 3.159 ( -4.225 2.455 -1.323) 5.063 3.182 ( -2.520 0.124 0.678) 2.612 3.211 ( -1.838 0.866 -1.117) 2.319 3.250 ( -1.871 3.239 0.866) 3.840 3.260 ( -2.802 3.463 0.087) 4.456 4.351 ( -3.126 0.023 0.497) 3.165 4.362 ( -3.293 -0.193 -0.475) 3.333 4.406 ( -2.824 1.338 1.117) 3.319 4.431 ( -2.030 0.620 -1.202) 2.440 4.583 ( -0.578 1.135 1.204) 1.753 4.615 ( -0.065 0.836 -1.815) 1.999 4.745 ( -2.039 -0.458 0.124) 2.094 4.745 ( -2.553 -0.570 0.061) 2.616 4.771 ( -0.666 0.443 0.572) 0.983 4.780 ( -0.739 0.380 -0.231) 0.862 5.115 ( -0.578 -0.695 0.634) 1.104 5.127 ( 1.055 -0.716 0.265) 1.302 5.158 ( -2.058 -0.414 0.012) 2.099 5.192 ( -0.185 -0.512 -2.358) 2.420 5.258 ( -0.937 0.229 1.652) 1.913 5.279 ( -0.076 -0.844 -0.002) 0.848 5.310 ( 0.274 -3.412 0.852) 3.528 5.328 ( -0.089 -2.290 -1.125) 2.553 5.379 ( 1.564 -2.381 1.192) 3.088 5.402 ( 1.275 -2.410 -0.970) 2.894 5.546 ( -0.286 -0.363 0.435) 0.634 5.559 ( 0.775 0.032 -0.813) 1.124 5.656 ( -7.606 -0.350 0.301) 7.620 5.664 ( -7.820 -0.319 -0.369) 7.835 5.882 ( -2.095 -1.345 1.712) 3.021 5.926 ( -1.987 -0.238 -2.493) 3.197 6.019 ( -1.224 -0.846 2.064) 2.545 6.052 ( -0.143 -1.555 -1.126) 1.925 6.745 ( 6.229 -0.405 0.240) 6.246 6.751 ( 6.134 -0.269 -0.248) 6.145 ======================= Grid point 197 (65/98) ======================= q-point: (-0.31 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -3.140 0.472 3.953) 5.070 1.054 ( -3.036 0.853 -3.688) 4.853 1.168 ( -15.992 -4.004 5.759) 17.463 1.277 ( -9.763 3.964 7.896) 13.168 1.322 ( -12.431 -1.974 -6.367) 14.105 1.451 ( -7.580 4.622 -4.991) 10.185 1.656 ( -2.236 -4.651 3.436) 6.200 1.682 ( -6.560 -4.626 4.255) 9.085 1.730 ( -2.385 -5.990 -1.706) 6.670 1.785 ( -4.483 -3.625 -2.672) 6.354 1.839 ( -3.725 -0.774 -2.049) 4.321 1.868 ( -3.387 -1.903 -3.094) 4.966 2.004 ( -1.535 -1.496 5.489) 5.893 2.103 ( -7.870 4.212 -0.283) 8.931 2.131 ( -0.646 -1.515 0.028) 1.647 2.178 ( -2.258 -1.596 0.089) 2.766 2.201 ( -2.977 -1.583 2.629) 4.275 2.284 ( -4.809 2.999 3.339) 6.578 2.333 ( -6.213 -1.503 -6.744) 9.292 2.386 ( -3.172 2.777 -2.087) 4.704 2.477 ( -5.126 5.092 -0.443) 7.239 2.526 ( -5.475 2.476 -4.467) 7.487 2.581 ( -8.297 0.097 1.684) 8.467 2.636 ( -2.772 -1.629 -3.268) 4.585 2.693 ( -6.031 2.957 1.474) 6.877 2.730 ( -9.516 4.682 0.016) 10.606 2.769 ( -6.924 1.745 -0.929) 7.201 2.785 ( -4.238 1.952 -2.886) 5.486 2.924 ( -2.978 2.870 4.229) 5.915 2.994 ( -0.110 2.344 -1.498) 2.783 3.038 ( -0.929 0.231 5.774) 5.853 3.134 ( -1.556 -0.865 -1.919) 2.618 3.203 ( 3.488 -1.740 1.901) 4.336 3.234 ( 2.921 -1.120 -0.969) 3.275 3.260 ( 2.529 -0.241 0.654) 2.623 3.269 ( 4.183 -0.042 -0.202) 4.188 4.257 ( -5.654 1.567 0.394) 5.880 4.266 ( -5.798 1.452 -0.393) 5.990 4.337 ( -4.490 0.182 2.102) 4.961 4.391 ( -2.799 -0.949 -2.953) 4.178 4.577 ( 0.278 0.601 1.599) 1.731 4.616 ( 0.035 0.329 -1.917) 1.946 4.698 ( -2.238 -0.637 0.510) 2.382 4.708 ( -1.913 -0.627 -0.335) 2.041 4.751 ( -0.960 0.647 0.803) 1.409 4.764 ( -0.252 0.280 -0.057) 0.381 5.102 ( -1.063 -0.531 0.566) 1.316 5.118 ( -1.561 -0.492 -0.638) 1.757 5.154 ( 0.977 1.070 2.539) 2.923 5.206 ( 1.130 -0.603 -2.324) 2.653 5.261 ( 0.999 -0.865 0.669) 1.481 5.276 ( -0.351 -0.781 -0.512) 0.998 5.338 ( 1.132 -2.548 0.251) 2.800 5.343 ( 0.919 -1.387 -0.415) 1.715 5.419 ( 1.395 -1.142 0.809) 1.976 5.438 ( 1.186 -1.386 -0.897) 2.033 5.530 ( -1.702 -0.283 0.740) 1.878 5.551 ( -1.545 0.373 -1.237) 2.014 5.570 ( -1.950 -0.737 0.840) 2.247 5.588 ( -0.690 -0.561 -0.557) 1.049 5.835 ( -3.267 -0.527 1.441) 3.610 5.876 ( -3.015 0.402 -2.482) 3.926 6.007 ( -0.618 -1.820 3.604) 4.085 6.067 ( 0.744 -2.066 -2.188) 3.100 6.841 ( 3.607 -0.558 0.075) 3.651 6.843 ( 3.399 -0.383 -0.077) 3.422 ======================= Grid point 198 (66/98) ======================= q-point: (-0.23 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( -14.272 -0.961 7.850) 16.317 0.902 ( -7.503 4.166 6.956) 11.047 0.986 ( -4.199 0.297 -3.521) 5.488 1.083 ( -10.109 0.881 -6.919) 12.281 1.092 ( -7.955 2.865 5.285) 9.971 1.287 ( -6.810 4.262 -6.776) 10.509 1.539 ( -11.453 -2.347 5.967) 13.126 1.589 ( -9.307 1.179 2.068) 9.606 1.610 ( -12.715 2.427 2.053) 13.106 1.677 ( -6.609 2.236 0.399) 6.988 1.748 ( -7.212 3.926 2.189) 8.498 1.815 ( -4.982 -4.292 -2.898) 7.186 1.875 ( -4.011 -2.186 -0.656) 4.615 1.923 ( -7.185 1.489 -2.836) 7.867 2.018 ( -8.825 1.903 -0.734) 9.057 2.081 ( -9.984 0.461 -4.433) 10.934 2.136 ( -4.670 3.677 -2.180) 6.331 2.163 ( -2.885 0.444 -1.855) 3.458 2.245 ( -0.261 1.191 3.423) 3.633 2.309 ( -1.118 2.740 -2.420) 3.823 2.395 ( -1.961 0.392 1.603) 2.563 2.435 ( -3.328 0.035 -1.508) 3.654 2.489 ( -5.280 0.269 3.146) 6.152 2.523 ( -5.536 -0.096 1.755) 5.808 2.584 ( -4.124 2.871 -1.679) 5.298 2.599 ( -3.683 -1.498 -2.156) 4.523 2.679 ( -2.352 2.415 -1.157) 3.564 2.740 ( -1.674 1.446 -2.836) 3.597 2.880 ( -0.253 -0.103 4.018) 4.027 2.962 ( -1.197 2.910 -2.771) 4.193 3.024 ( -0.010 1.044 5.699) 5.793 3.116 ( -0.429 0.021 -1.843) 1.893 3.253 ( 0.451 -3.124 1.646) 3.560 3.277 ( 0.080 -3.819 -0.634) 3.872 3.342 ( 4.340 -1.828 1.313) 4.888 3.368 ( 4.700 -1.500 -1.091) 5.053 4.136 ( -5.872 1.436 0.342) 6.054 4.143 ( -5.824 1.443 -0.368) 6.012 4.222 ( -7.347 0.362 3.138) 7.997 4.316 ( -6.253 -1.891 -6.050) 8.904 4.581 ( 0.187 -0.327 1.104) 1.166 4.599 ( -1.578 -0.836 -0.090) 1.788 4.673 ( -0.894 0.260 0.239) 0.962 4.688 ( -0.119 0.310 -1.263) 1.306 4.742 ( 0.129 -0.437 2.087) 2.136 4.781 ( 2.152 -0.223 -1.147) 2.449 5.086 ( -0.332 0.423 0.754) 0.926 5.101 ( -0.158 0.238 -0.313) 0.424 5.172 ( 1.917 1.249 4.646) 5.179 5.232 ( 0.841 -1.457 -0.373) 1.723 5.279 ( 0.430 -1.145 -1.658) 2.060 5.297 ( 2.076 -0.306 -2.405) 3.192 5.375 ( 1.472 -0.375 1.037) 1.840 5.381 ( 2.211 -1.268 0.348) 2.572 5.440 ( 0.482 0.227 0.387) 0.659 5.458 ( 0.397 -0.136 -1.132) 1.208 5.495 ( -1.704 0.567 1.076) 2.094 5.526 ( -1.099 1.698 -1.982) 2.832 5.556 ( -0.646 -1.508 1.699) 2.362 5.585 ( -0.051 -0.737 -0.693) 1.013 5.773 ( -2.944 0.206 0.903) 3.086 5.816 ( -2.535 1.315 -3.011) 4.150 6.022 ( 1.162 -2.562 5.694) 6.351 6.106 ( 2.166 -2.461 -2.671) 4.229 6.887 ( 1.048 -0.411 0.208) 1.145 6.892 ( 1.354 -0.806 -0.285) 1.602 ======================= Grid point 199 (67/98) ======================= q-point: (-0.15 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( -11.548 3.364 13.622) 18.173 0.694 ( -10.974 8.798 12.176) 18.604 0.875 ( -8.149 0.600 -14.772) 16.881 0.896 ( -6.513 3.774 -7.956) 10.953 1.026 ( -0.241 -0.447 6.441) 6.461 1.122 ( -18.751 17.280 16.427) 30.332 1.163 ( -3.837 2.269 -5.623) 7.175 1.360 ( -7.008 5.283 2.042) 9.011 1.453 ( -5.952 -0.350 5.207) 7.915 1.543 ( -7.168 0.551 -5.331) 8.950 1.660 ( -3.160 5.347 -3.089) 6.936 1.687 ( -5.029 4.471 -6.329) 9.238 1.734 ( -8.102 -0.730 2.711) 8.574 1.781 ( -9.312 -0.997 -2.928) 9.812 1.918 ( -0.286 -2.466 0.490) 2.531 2.010 ( 0.788 -2.993 -5.702) 6.488 2.061 ( -2.941 1.356 -0.038) 3.239 2.103 ( -2.933 0.884 -3.556) 4.693 2.255 ( 1.972 0.912 4.520) 5.015 2.308 ( 1.540 1.208 -1.736) 2.616 2.362 ( -1.733 0.783 2.552) 3.182 2.385 ( -1.877 -0.268 0.235) 1.910 2.395 ( -2.087 0.326 1.586) 2.641 2.458 ( -4.039 -1.552 1.290) 4.515 2.491 ( -4.944 0.055 -2.358) 5.478 2.539 ( -2.269 1.607 -3.811) 4.717 2.641 ( 0.234 1.081 3.171) 3.358 2.714 ( -0.317 1.110 0.323) 1.198 2.900 ( 1.108 -1.844 0.787) 2.290 2.941 ( 0.483 1.370 -2.173) 2.614 3.026 ( 0.769 1.226 4.724) 4.941 3.111 ( 0.195 1.951 -2.190) 2.939 3.266 ( -0.330 -2.744 1.448) 3.120 3.286 ( -0.807 -3.501 -0.610) 3.644 3.421 ( 2.664 -2.139 1.680) 3.807 3.451 ( 2.846 -2.176 -1.086) 3.744 4.031 ( -4.056 0.998 0.400) 4.196 4.039 ( -4.255 0.980 -0.373) 4.383 4.068 ( -7.506 0.734 2.117) 7.833 4.155 ( -11.976 -2.092 -7.564) 14.318 4.574 ( -1.052 -1.926 1.636) 2.738 4.596 ( 0.224 -1.648 -0.225) 1.679 4.661 ( -0.027 0.682 0.992) 1.204 4.687 ( 0.134 0.453 -1.098) 1.195 4.754 ( 0.389 -1.728 2.975) 3.462 4.832 ( 2.316 -0.173 -4.719) 5.260 5.093 ( 1.657 1.969 1.106) 2.801 5.111 ( 1.483 1.197 -0.421) 1.952 5.224 ( 3.706 0.120 4.848) 6.104 5.257 ( 1.639 -1.651 2.890) 3.710 5.293 ( 0.510 -0.406 -1.879) 1.989 5.343 ( 1.489 -0.790 -2.858) 3.318 5.396 ( 0.626 -0.038 2.266) 2.351 5.418 ( 0.014 -0.122 0.587) 0.599 5.428 ( -0.733 -0.191 0.061) 0.760 5.446 ( -0.781 1.144 -1.165) 1.810 5.477 ( -0.089 1.130 -0.114) 1.139 5.491 ( -0.727 2.603 -1.228) 2.969 5.549 ( -1.241 -2.112 2.140) 3.253 5.591 ( -0.209 -1.307 -1.510) 2.008 5.724 ( -2.104 0.970 0.031) 2.317 5.770 ( -0.839 2.926 -3.286) 4.479 6.088 ( 4.049 -4.569 7.694) 9.822 6.172 ( 2.903 -3.031 -1.697) 4.527 6.891 ( -0.553 -0.220 0.289) 0.662 6.902 ( -0.897 -0.917 -0.748) 1.485 ======================= Grid point 200 (68/98) ======================= q-point: (-0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( 0.000 10.795 15.339) 18.756 0.455 ( 0.000 6.698 18.235) 19.427 0.742 ( 0.000 5.461 -13.935) 14.967 0.804 ( 0.000 6.271 -3.704) 7.283 0.839 ( 0.000 12.146 16.024) 20.107 1.054 ( -0.000 -2.766 5.907) 6.523 1.118 ( 0.000 2.535 -4.818) 5.444 1.301 ( 0.000 1.783 8.551) 8.735 1.374 ( -0.000 -0.990 -9.761) 9.811 1.457 ( 0.000 0.881 -6.885) 6.941 1.560 ( 0.000 9.270 -2.100) 9.505 1.648 ( -0.000 -0.443 2.780) 2.815 1.652 ( 0.000 1.662 -2.059) 2.646 1.688 ( -0.000 -1.252 -1.272) 1.784 1.941 ( -0.000 -2.573 1.338) 2.900 2.003 ( 0.000 1.046 2.148) 2.389 2.053 ( 0.000 0.182 -2.443) 2.450 2.068 ( -0.000 -2.854 -8.774) 9.226 2.285 ( -0.000 -0.026 4.320) 4.320 2.326 ( 0.000 0.602 -0.588) 0.841 2.342 ( 0.000 1.873 3.759) 4.199 2.366 ( -0.000 -0.800 0.494) 0.940 2.377 ( -0.000 -0.639 -0.532) 0.831 2.410 ( -0.000 -0.278 1.438) 1.464 2.437 ( -0.000 -0.605 -1.070) 1.230 2.501 ( 0.000 2.416 -6.094) 6.556 2.666 ( -0.000 -2.459 3.291) 4.108 2.709 ( 0.000 0.858 2.098) 2.266 2.921 ( -0.000 -1.612 0.233) 1.629 2.950 ( 0.000 1.883 -2.077) 2.803 3.031 ( 0.000 1.160 2.905) 3.128 3.102 ( 0.000 1.600 -1.615) 2.274 3.278 ( -0.000 -2.034 0.912) 2.229 3.295 ( -0.000 -1.602 -1.083) 1.934 3.459 ( -0.000 -1.653 2.030) 2.618 3.492 ( -0.000 -1.834 -1.020) 2.099 3.965 ( 0.000 0.808 -0.048) 0.809 3.966 ( 0.000 0.775 -0.073) 0.778 3.989 ( 0.000 0.730 0.643) 0.973 4.001 ( 0.000 0.716 -0.520) 0.885 4.575 ( -0.000 -2.035 2.226) 3.016 4.609 ( -0.000 -1.789 -0.822) 1.968 4.660 ( 0.000 0.506 1.617) 1.694 4.687 ( 0.000 0.188 -0.571) 0.601 4.772 ( -0.000 -2.818 2.281) 3.626 4.855 ( -0.000 -0.065 -6.524) 6.524 5.104 ( 0.000 2.753 1.361) 3.071 5.125 ( 0.000 1.303 -0.669) 1.465 5.257 ( -0.000 -1.606 1.273) 2.050 5.296 ( 0.000 0.480 -2.463) 2.509 5.336 ( -0.000 -0.345 0.235) 0.418 5.342 ( -0.000 -0.351 -0.245) 0.427 5.401 ( 0.000 0.091 2.509) 2.511 5.421 ( 0.000 0.436 0.083) 0.444 5.422 ( 0.000 0.470 -0.074) 0.476 5.432 ( 0.000 0.998 0.210) 1.020 5.460 ( -0.000 -1.229 -0.104) 1.234 5.478 ( 0.000 1.325 -1.014) 1.669 5.540 ( -0.000 -3.092 3.697) 4.820 5.591 ( -0.000 -1.350 -1.776) 2.230 5.683 ( 0.000 3.626 1.969) 4.126 5.753 ( 0.000 2.375 -3.654) 4.358 6.197 ( -0.000 -9.044 4.614) 10.153 6.225 ( -0.000 -3.043 0.291) 3.057 6.881 ( 0.000 0.001 0.058) 0.058 6.882 ( 0.000 0.023 -0.058) 0.063 ======================= Grid point 203 (69/98) ======================= q-point: ( 0.15 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 2.645 0.000 3.383) 4.294 1.096 ( 2.719 0.000 -3.411) 4.362 1.425 ( 10.482 0.000 7.148) 12.687 1.522 ( 7.738 0.000 -1.272) 7.842 1.579 ( 13.334 0.000 2.042) 13.489 1.630 ( 10.699 0.000 -2.836) 11.068 1.760 ( -0.028 -0.000 0.770) 0.771 1.774 ( -0.701 -0.000 0.166) 0.721 1.882 ( 5.107 0.000 -1.397) 5.295 1.897 ( 0.335 0.000 -0.757) 0.828 1.948 ( 4.025 0.000 -1.433) 4.273 2.002 ( 1.647 0.000 -4.388) 4.687 2.091 ( 2.473 0.000 1.543) 2.915 2.104 ( -1.444 -0.000 0.806) 1.654 2.166 ( -0.654 -0.000 0.692) 0.952 2.167 ( 1.393 0.000 1.472) 2.027 2.291 ( -1.644 -0.000 4.258) 4.564 2.327 ( -1.210 -0.000 7.086) 7.188 2.400 ( 4.746 0.000 1.713) 5.046 2.419 ( -0.942 -0.000 -6.228) 6.298 2.500 ( 7.810 0.000 -3.522) 8.567 2.540 ( 0.368 0.000 -9.466) 9.473 2.608 ( -1.302 -0.000 1.520) 2.001 2.639 ( -0.401 -0.000 -1.876) 1.919 2.845 ( 9.602 0.000 1.017) 9.656 2.862 ( 5.201 0.000 0.373) 5.215 2.930 ( 8.824 0.000 -0.164) 8.825 2.958 ( 4.653 0.000 -2.472) 5.268 2.968 ( 9.643 0.000 0.862) 9.682 2.983 ( 5.326 0.000 -0.658) 5.366 3.061 ( 0.476 0.000 4.015) 4.043 3.093 ( -3.211 -0.000 -0.459) 3.243 3.142 ( -2.735 -0.000 0.081) 2.736 3.148 ( -0.247 -0.000 -0.482) 0.542 3.196 ( 0.742 0.000 2.679) 2.780 3.227 ( 2.068 0.000 1.027) 2.309 4.332 ( 4.695 0.000 0.802) 4.763 4.349 ( 4.962 0.000 -0.798) 5.026 4.396 ( 1.624 0.000 1.425) 2.161 4.430 ( 0.379 0.000 -1.783) 1.822 4.571 ( 0.742 0.000 1.498) 1.672 4.608 ( 0.283 0.000 -1.918) 1.939 4.747 ( 1.648 0.000 0.103) 1.651 4.753 ( 1.521 0.000 -0.511) 1.605 4.766 ( 1.759 0.000 0.918) 1.984 4.780 ( 1.340 0.000 -0.229) 1.360 5.128 ( 0.855 0.000 0.710) 1.111 5.155 ( 1.021 0.000 -1.830) 2.096 5.167 ( 1.634 0.000 2.193) 2.735 5.203 ( -0.866 -0.000 -1.023) 1.340 5.249 ( 0.648 0.000 1.234) 1.394 5.280 ( -0.155 -0.000 -1.660) 1.667 5.360 ( -1.314 -0.000 1.209) 1.786 5.379 ( 0.021 0.000 -0.677) 0.677 5.427 ( -0.827 -0.000 1.073) 1.355 5.447 ( -0.978 -0.000 -0.859) 1.302 5.556 ( -0.443 -0.000 0.059) 0.447 5.561 ( 0.143 0.000 -0.384) 0.409 5.665 ( 7.179 0.000 0.307) 7.186 5.669 ( 7.906 0.000 0.019) 7.906 5.908 ( 2.791 0.000 0.258) 2.802 5.927 ( 2.455 0.000 -1.752) 3.016 6.040 ( 0.236 0.000 2.769) 2.779 6.084 ( -0.579 -0.000 -1.525) 1.631 6.754 ( -6.359 -0.000 0.090) 6.360 6.756 ( -6.287 -0.000 -0.098) 6.287 ======================= Grid point 204 (70/98) ======================= q-point: ( 0.23 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 1.585 0.014 3.555) 3.892 1.139 ( 1.761 -0.089 -3.514) 3.931 1.597 ( 6.896 0.358 5.406) 8.770 1.627 ( 1.937 0.823 1.800) 2.769 1.719 ( 2.701 1.418 -1.371) 3.344 1.738 ( -0.038 0.237 -2.742) 2.752 1.789 ( 3.881 -0.267 0.191) 3.894 1.799 ( 4.065 0.821 0.110) 4.149 1.891 ( -1.104 -0.571 3.907) 4.100 1.923 ( -0.890 2.435 0.497) 2.640 1.973 ( -2.681 0.744 -1.554) 3.186 1.997 ( -2.978 0.939 -3.540) 4.720 2.056 ( 0.826 2.264 0.655) 2.497 2.090 ( -1.425 -1.600 -1.193) 2.453 2.211 ( 4.392 1.355 2.594) 5.278 2.224 ( 3.461 0.047 2.939) 4.540 2.257 ( -1.218 0.612 0.470) 1.442 2.307 ( -0.176 -0.344 4.219) 4.236 2.378 ( -1.366 0.951 -6.013) 6.239 2.406 ( -2.341 -1.192 -1.747) 3.155 2.452 ( -6.277 -1.765 -0.913) 6.584 2.513 ( -2.435 -0.139 -7.783) 8.156 2.679 ( 2.724 -0.768 1.068) 3.025 2.705 ( 4.224 -0.722 -1.497) 4.539 2.846 ( -4.262 0.715 0.353) 4.336 2.849 ( -3.151 0.026 0.321) 3.168 2.878 ( -6.252 0.669 -0.096) 6.288 2.882 ( -5.433 -0.106 -0.359) 5.446 3.084 ( 3.460 0.027 4.026) 5.309 3.115 ( 3.167 -0.539 -0.444) 3.243 3.144 ( 1.350 -0.754 1.258) 1.993 3.162 ( 2.032 -0.340 0.907) 2.251 3.256 ( 12.727 -0.745 -0.358) 12.754 3.271 ( 13.681 -0.862 -1.450) 13.784 3.339 ( 10.026 -0.377 1.394) 10.129 3.349 ( 9.152 -0.458 0.569) 9.181 4.399 ( 0.027 0.485 0.808) 0.943 4.410 ( 2.456 -0.578 0.502) 2.572 4.422 ( 0.240 0.405 -0.390) 0.612 4.436 ( 2.701 -0.931 -0.822) 2.973 4.594 ( 1.711 0.074 0.841) 1.908 4.620 ( 1.103 0.132 -1.559) 1.914 4.772 ( 0.772 0.225 -0.108) 0.811 4.774 ( 0.749 -0.058 -0.296) 0.807 4.793 ( 0.874 -0.063 0.461) 0.990 4.799 ( 0.561 -0.014 -0.100) 0.570 5.141 ( 0.425 0.333 0.465) 0.712 5.153 ( -0.659 0.850 -0.190) 1.092 5.193 ( 0.983 -0.569 0.311) 1.178 5.204 ( 1.091 -0.024 -1.300) 1.698 5.282 ( 2.072 -0.013 1.060) 2.328 5.291 ( 1.101 0.068 -0.098) 1.107 5.326 ( -1.971 0.163 1.706) 2.612 5.361 ( -1.648 0.304 -1.523) 2.265 5.395 ( -2.251 0.613 1.030) 2.550 5.417 ( -1.992 0.539 -0.960) 2.276 5.542 ( -0.753 -0.004 0.418) 0.861 5.555 ( -0.527 0.131 -0.714) 0.897 5.847 ( 10.255 0.106 0.951) 10.299 5.866 ( 11.865 0.099 -0.734) 11.888 5.946 ( 1.948 0.686 -0.064) 2.066 5.957 ( 0.965 -0.277 -1.282) 1.628 6.043 ( 0.096 0.088 2.004) 2.008 6.072 ( -0.549 0.227 -0.908) 1.085 6.607 ( -8.979 0.120 0.074) 8.980 6.608 ( -9.075 -0.001 -0.093) 9.075 ======================= Grid point 205 (71/98) ======================= q-point: ( 0.31 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 0.479 0.016 3.769) 3.799 1.164 ( 0.734 -0.082 -3.717) 3.789 1.594 ( -2.440 2.600 2.189) 4.183 1.666 ( -1.329 2.826 -3.351) 4.581 1.700 ( -0.073 -0.125 3.838) 3.841 1.777 ( 0.087 -1.029 -2.522) 2.725 1.803 ( -4.113 4.574 4.260) 7.483 1.832 ( -0.035 0.256 1.213) 1.240 1.833 ( -1.281 -0.570 2.722) 3.062 1.863 ( -4.758 1.499 0.320) 4.999 1.909 ( 0.203 -2.034 2.283) 3.064 1.959 ( -1.822 -3.213 2.058) 4.228 2.057 ( -0.621 -0.030 -3.147) 3.208 2.104 ( 1.832 0.944 -5.636) 6.002 2.205 ( -2.459 0.195 2.103) 3.242 2.248 ( -0.792 -0.672 0.251) 1.068 2.264 ( -1.386 -1.283 0.625) 1.989 2.314 ( -0.344 0.320 2.529) 2.572 2.343 ( -3.223 -0.998 -7.712) 8.418 2.389 ( 0.100 0.149 -3.348) 3.353 2.426 ( 4.271 1.058 1.321) 4.594 2.484 ( 0.834 0.898 -4.860) 5.012 2.682 ( -1.427 -0.960 1.754) 2.457 2.711 ( -0.994 0.044 -1.578) 1.865 2.784 ( -1.966 1.385 0.405) 2.438 2.790 ( -1.608 1.776 -0.234) 2.408 2.840 ( 0.648 -1.000 1.061) 1.596 2.849 ( 1.023 -1.504 -0.054) 1.820 3.133 ( 1.699 0.099 3.600) 3.982 3.150 ( -0.120 -0.198 1.904) 1.918 3.179 ( 1.729 -0.563 0.225) 1.832 3.188 ( 1.930 -0.441 -0.573) 2.061 3.458 ( 6.394 0.751 0.210) 6.441 3.464 ( 5.426 0.930 -0.225) 5.510 3.494 ( 5.062 -1.436 0.082) 5.262 3.496 ( 5.097 -1.423 -0.044) 5.292 4.381 ( -1.155 -0.056 0.718) 1.361 4.396 ( -1.382 0.021 -0.633) 1.520 4.472 ( 2.384 -0.510 0.952) 2.618 4.488 ( 1.927 -0.443 -0.522) 2.045 4.631 ( 2.044 0.446 0.075) 2.093 4.647 ( 1.708 0.500 -1.413) 2.273 4.772 ( -0.383 0.619 0.142) 0.742 4.777 ( -0.296 0.701 -0.395) 0.857 4.801 ( -0.062 -0.623 0.462) 0.778 4.807 ( 0.086 -0.952 -0.201) 0.977 5.136 ( -0.815 0.281 0.155) 0.876 5.139 ( -0.411 0.418 0.008) 0.586 5.206 ( -0.195 -0.212 0.530) 0.604 5.225 ( 0.626 0.126 -1.591) 1.715 5.282 ( -1.544 0.047 1.561) 2.196 5.306 ( -0.968 0.308 0.219) 1.039 5.316 ( 0.968 0.376 0.561) 1.180 5.326 ( -1.163 -0.027 -0.447) 1.246 5.349 ( -1.639 0.015 0.764) 1.809 5.375 ( -1.741 0.292 -1.279) 2.180 5.532 ( -0.322 -0.057 0.519) 0.613 5.546 ( -0.285 0.071 -0.750) 0.805 5.916 ( -0.566 0.309 1.153) 1.321 5.948 ( -0.547 0.268 -1.898) 1.994 6.030 ( 0.222 0.230 1.526) 1.559 6.055 ( 0.293 0.214 -0.959) 1.025 6.108 ( 9.781 -0.062 0.237) 9.784 6.111 ( 9.897 -0.172 -0.048) 9.899 6.418 ( -9.647 0.130 0.189) 9.650 6.423 ( -9.232 0.008 -0.217) 9.234 ======================= Grid point 206 (72/98) ======================= q-point: (-0.62 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -0.510 -0.011 4.053) 4.085 1.169 ( -0.178 0.079 -3.985) 3.990 1.516 ( -3.796 2.129 3.230) 5.420 1.592 ( -4.114 0.167 -3.933) 5.694 1.686 ( -1.585 -1.524 3.645) 4.257 1.723 ( -2.624 0.284 3.396) 4.301 1.751 ( -5.580 -4.422 -0.700) 7.154 1.765 ( -2.297 0.133 -1.329) 2.657 1.798 ( -2.541 -1.091 2.583) 3.784 1.819 ( -1.684 -0.132 1.301) 2.132 1.929 ( -1.329 -2.635 5.049) 5.848 1.961 ( 1.381 -1.157 4.253) 4.619 2.054 ( 0.069 0.416 -3.621) 3.646 2.111 ( -1.267 1.367 -6.618) 6.875 2.159 ( -2.928 -1.560 0.743) 3.400 2.212 ( -2.703 -0.598 -0.780) 2.876 2.227 ( -1.390 -0.990 -1.323) 2.159 2.287 ( -1.478 -0.274 -8.483) 8.615 2.326 ( 1.013 -0.112 1.602) 1.899 2.389 ( 0.271 -2.790 -4.812) 5.569 2.508 ( 4.378 2.433 1.554) 5.244 2.539 ( 4.357 2.744 -0.992) 5.244 2.690 ( 0.997 -0.886 3.154) 3.425 2.730 ( 2.593 0.305 -0.811) 2.734 2.759 ( 0.435 1.393 0.574) 1.568 2.780 ( 1.706 0.278 -1.404) 2.227 2.857 ( 0.684 -0.133 1.537) 1.688 2.880 ( 1.359 0.230 -0.678) 1.536 3.130 ( -1.275 0.026 3.880) 4.084 3.158 ( 0.542 0.017 0.556) 0.777 3.204 ( 0.542 0.157 0.994) 1.143 3.217 ( 0.614 0.451 -0.656) 1.006 3.477 ( -2.857 1.423 0.303) 3.206 3.483 ( -2.511 1.679 -0.289) 3.035 3.525 ( -2.392 -0.334 0.496) 2.466 3.536 ( -2.140 -0.464 -0.554) 2.259 4.366 ( -0.535 -0.648 0.588) 1.025 4.376 ( -0.756 -0.701 -0.367) 1.094 4.502 ( 0.427 0.349 0.548) 0.777 4.509 ( 0.053 0.121 -0.146) 0.196 4.656 ( 0.877 1.831 -0.279) 2.049 4.671 ( 0.986 1.792 -1.615) 2.606 4.760 ( -0.266 0.279 0.315) 0.498 4.764 ( -0.282 0.458 -0.150) 0.558 4.798 ( -0.800 -1.144 0.767) 1.593 4.809 ( -0.690 -1.335 -0.352) 1.543 5.114 ( -1.185 -0.400 0.284) 1.282 5.126 ( -0.923 -0.139 -0.530) 1.074 5.190 ( -0.980 -0.548 1.328) 1.739 5.218 ( -1.103 0.188 -1.529) 1.895 5.263 ( -1.007 -1.080 0.195) 1.489 5.274 ( -1.724 -0.901 -0.683) 2.062 5.303 ( -0.920 0.020 1.328) 1.616 5.317 ( -0.511 0.464 0.393) 0.794 5.340 ( -0.345 -0.641 0.467) 0.865 5.356 ( -0.449 -0.461 -0.965) 1.160 5.532 ( 0.285 -0.055 0.468) 0.551 5.544 ( 0.074 0.065 -0.628) 0.636 5.894 ( -1.461 -0.351 1.330) 2.007 5.930 ( -1.418 -0.294 -2.061) 2.518 6.018 ( -1.606 -0.128 1.559) 2.241 6.044 ( -1.501 -0.090 -1.044) 1.830 6.113 ( -9.601 0.093 0.428) 9.611 6.120 ( -8.705 0.130 -0.221) 8.709 6.410 ( 9.226 -0.139 0.486) 9.240 6.421 ( 9.128 -0.047 -0.503) 9.142 ======================= Grid point 207 (73/98) ======================= q-point: (-0.54 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -1.455 0.059 4.279) 4.520 1.154 ( -1.239 0.433 -4.149) 4.352 1.454 ( -3.376 -3.760 2.723) 5.740 1.515 ( -5.177 -3.990 -2.536) 7.011 1.631 ( -5.686 -1.458 3.067) 6.623 1.641 ( -6.293 -4.715 -0.597) 7.886 1.701 ( -2.757 -1.952 4.716) 5.801 1.727 ( -2.791 -1.425 3.074) 4.390 1.766 ( -0.922 -1.982 -0.272) 2.203 1.793 ( -1.526 -1.655 -1.722) 2.834 1.905 ( -2.431 -2.286 5.051) 6.054 1.981 ( 0.210 1.018 2.417) 2.631 2.038 ( -1.207 1.546 -1.958) 2.772 2.041 ( -4.367 -2.523 -5.130) 7.194 2.123 ( -0.712 -1.138 2.266) 2.633 2.201 ( 0.195 -0.803 -1.382) 1.610 2.233 ( 1.387 2.154 -5.880) 6.414 2.267 ( -0.668 -1.627 -7.777) 7.974 2.361 ( 1.983 0.168 2.922) 3.535 2.438 ( 2.624 -3.749 -5.086) 6.841 2.551 ( 0.979 2.397 2.259) 3.436 2.595 ( 2.602 1.688 -0.457) 3.135 2.701 ( -0.393 -0.398 2.188) 2.258 2.747 ( -0.036 1.151 -1.610) 1.980 2.816 ( 4.237 -0.364 1.728) 4.590 2.845 ( 4.441 -0.197 -1.224) 4.611 2.882 ( 2.380 0.502 1.050) 2.649 2.904 ( 2.138 1.376 -1.039) 2.746 3.099 ( -2.025 0.379 5.112) 5.511 3.142 ( -2.692 0.675 -0.326) 2.795 3.196 ( -2.786 1.116 0.066) 3.001 3.202 ( -0.508 0.061 0.372) 0.633 3.356 ( -8.361 1.842 0.500) 8.576 3.365 ( -7.904 2.381 -0.387) 8.264 3.422 ( -6.930 1.850 0.210) 7.176 3.428 ( -7.804 2.344 -0.403) 8.158 4.364 ( -0.392 -1.063 0.449) 1.218 4.371 ( -0.546 -1.327 -0.253) 1.457 4.482 ( -1.846 1.259 0.419) 2.273 4.490 ( -1.733 0.734 -0.243) 1.897 4.637 ( -1.226 2.912 0.216) 3.167 4.656 ( -0.918 2.634 -1.579) 3.206 4.763 ( 0.210 -0.118 0.111) 0.265 4.765 ( -0.542 -0.540 0.014) 0.765 4.787 ( -0.254 -0.335 0.493) 0.648 4.791 ( -1.558 -0.678 0.057) 1.700 5.103 ( -0.210 -0.736 0.541) 0.937 5.114 ( -0.234 -0.298 -0.002) 0.379 5.184 ( -0.951 -1.727 -1.027) 2.222 5.192 ( -1.357 -0.557 -1.353) 1.996 5.250 ( -1.062 -1.877 0.426) 2.198 5.254 ( -1.024 -2.888 0.469) 3.100 5.292 ( -0.926 0.048 1.207) 1.522 5.304 ( -0.103 -0.467 0.284) 0.556 5.337 ( -0.305 -1.014 0.490) 1.167 5.356 ( -0.078 -1.362 -1.027) 1.708 5.542 ( 0.700 -0.002 0.065) 0.703 5.546 ( 0.158 0.084 -0.214) 0.279 5.832 ( -9.371 -0.346 0.455) 9.389 5.842 ( -9.203 -0.885 -0.427) 9.255 5.904 ( -4.773 -0.522 1.584) 5.056 5.948 ( -2.062 -0.462 -2.610) 3.358 6.035 ( -1.172 -0.122 1.091) 1.606 6.046 ( -0.909 -0.501 -0.124) 1.046 6.595 ( 8.902 -0.243 0.392) 8.914 6.604 ( 8.836 -0.133 -0.407) 8.846 ======================= Grid point 208 (74/98) ======================= q-point: (-0.46 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -2.300 0.130 4.282) 4.862 1.117 ( -2.285 0.656 -4.103) 4.742 1.353 ( -10.671 -5.411 3.890) 12.581 1.445 ( -6.060 -4.213 -4.574) 8.682 1.503 ( -6.592 0.747 6.421) 9.232 1.593 ( -3.048 -4.539 -3.488) 6.485 1.609 ( -5.027 -3.931 1.893) 6.656 1.685 ( -3.725 0.775 -0.830) 3.894 1.724 ( -4.344 -3.972 3.738) 6.973 1.780 ( -1.720 -3.300 -1.000) 3.854 1.885 ( -1.933 -3.771 5.149) 6.668 1.939 ( -3.135 1.572 -1.628) 3.866 1.979 ( -1.949 0.649 0.508) 2.116 2.063 ( 2.157 -3.981 -1.856) 4.893 2.133 ( 0.903 -0.584 1.674) 1.990 2.211 ( -0.105 -1.516 0.510) 1.602 2.217 ( -0.936 3.059 -5.467) 6.334 2.298 ( 1.583 -2.415 -8.413) 8.895 2.382 ( -0.186 0.530 3.890) 3.931 2.500 ( -1.152 -0.738 -6.725) 6.863 2.502 ( -2.706 -1.077 4.941) 5.736 2.611 ( -0.692 0.028 -3.122) 3.198 2.670 ( -2.699 0.546 1.633) 3.201 2.730 ( -1.086 1.749 -2.637) 3.345 2.862 ( -1.030 0.560 2.720) 2.962 2.903 ( -0.823 1.912 -1.316) 2.463 2.936 ( 1.701 1.056 0.588) 2.087 2.945 ( 0.369 1.386 0.011) 1.435 3.034 ( -5.667 2.477 -0.003) 6.185 3.035 ( -6.187 2.510 -0.153) 6.679 3.077 ( -5.836 1.430 7.098) 9.299 3.176 ( -3.276 -0.021 -1.931) 3.803 3.182 ( -5.709 0.880 1.447) 5.955 3.219 ( -3.936 0.522 -1.654) 4.301 3.285 ( -3.544 3.156 0.645) 4.789 3.297 ( -3.566 3.174 -0.137) 4.776 4.347 ( -2.265 -0.642 0.384) 2.386 4.355 ( -2.323 -0.989 -0.315) 2.545 4.423 ( -3.338 1.705 0.798) 3.832 4.440 ( -2.720 1.022 -0.780) 3.009 4.599 ( -1.020 1.857 0.911) 2.306 4.627 ( -0.637 1.324 -1.740) 2.277 4.737 ( -2.230 -0.848 0.297) 2.404 4.738 ( -2.764 -0.748 0.167) 2.868 4.777 ( -0.217 0.715 0.602) 0.959 4.786 ( -0.396 0.785 -0.249) 0.914 5.107 ( -0.404 -0.670 0.569) 0.967 5.123 ( 1.122 -0.125 -0.261) 1.159 5.154 ( -1.506 -0.250 0.154) 1.534 5.187 ( 0.051 -0.494 -2.468) 2.517 5.250 ( -0.532 -2.324 1.392) 2.761 5.267 ( 0.257 -2.784 0.047) 2.796 5.272 ( -0.637 -1.370 2.020) 2.523 5.311 ( 0.020 -0.795 -1.745) 1.917 5.353 ( 1.370 -2.438 1.093) 3.003 5.375 ( 1.167 -2.562 -0.962) 2.975 5.543 ( -0.371 -0.149 0.648) 0.762 5.560 ( 0.907 0.128 -0.953) 1.322 5.653 ( -7.595 -0.263 0.235) 7.603 5.660 ( -7.838 -0.326 -0.430) 7.857 5.867 ( -1.931 -1.343 2.352) 3.327 5.922 ( -1.742 -0.396 -2.890) 3.398 6.012 ( -1.598 -0.551 1.603) 2.329 6.036 ( -0.552 -1.407 -0.746) 1.685 6.741 ( 6.167 -0.359 0.302) 6.185 6.748 ( 6.070 -0.248 -0.309) 6.083 ======================= Grid point 209 (75/98) ======================= q-point: (-0.38 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -3.112 0.152 4.100) 5.150 1.062 ( -3.136 0.641 -3.922) 5.063 1.140 ( -12.567 -1.011 5.878) 13.911 1.293 ( -10.093 -0.878 -8.380) 13.148 1.341 ( -8.430 5.565 9.291) 13.725 1.504 ( -6.187 4.777 -4.803) 9.175 1.587 ( -1.963 -7.564 1.030) 7.882 1.632 ( -4.701 -6.489 0.688) 8.043 1.672 ( -2.222 -2.538 3.489) 4.853 1.749 ( -3.305 -3.190 -1.057) 4.714 1.827 ( -4.489 -1.629 -0.979) 4.875 1.858 ( -5.005 -0.455 -3.901) 6.362 1.976 ( -0.630 -3.322 7.460) 8.190 2.112 ( -0.108 -2.448 -1.066) 2.672 2.148 ( -6.774 3.736 -1.451) 7.870 2.158 ( 0.434 -1.520 0.104) 1.584 2.189 ( -2.919 -0.385 2.279) 3.723 2.302 ( -5.424 -2.139 -1.596) 6.045 2.314 ( -3.338 0.842 -3.214) 4.710 2.413 ( -2.918 2.176 -3.644) 5.151 2.484 ( -2.787 -2.971 0.235) 4.080 2.574 ( -5.096 5.104 -2.392) 7.599 2.593 ( -5.887 0.938 2.048) 6.303 2.638 ( -6.221 2.662 -4.588) 8.175 2.734 ( -8.094 4.779 1.370) 9.499 2.777 ( -5.652 3.571 -2.174) 7.030 2.798 ( -8.845 4.071 0.948) 9.783 2.813 ( -5.937 3.389 -0.598) 6.862 2.954 ( -3.042 2.611 4.552) 6.066 3.012 ( 0.448 0.978 2.124) 2.381 3.044 ( 0.348 0.943 1.064) 1.464 3.124 ( -2.219 -1.013 -1.988) 3.147 3.180 ( 1.981 -2.502 1.939) 3.734 3.214 ( 0.682 -2.608 -1.250) 2.971 3.260 ( 0.996 0.043 0.640) 1.184 3.269 ( 2.366 -0.096 -0.131) 2.371 4.273 ( -5.244 1.163 0.365) 5.384 4.280 ( -5.305 1.063 -0.311) 5.419 4.342 ( -4.659 0.694 1.647) 4.990 4.382 ( -3.452 -0.575 -2.140) 4.103 4.583 ( -0.158 0.536 1.302) 1.417 4.617 ( -0.742 -0.292 -1.645) 1.828 4.692 ( -1.617 -0.351 0.369) 1.696 4.699 ( -2.018 -0.907 -0.091) 2.215 4.759 ( -1.207 0.855 0.635) 1.610 4.769 ( -0.477 0.539 0.032) 0.721 5.097 ( -0.796 -0.445 0.300) 0.960 5.112 ( -1.282 -0.458 -0.851) 1.605 5.168 ( 1.724 1.488 2.079) 3.084 5.199 ( 0.753 -0.696 -1.092) 1.498 5.249 ( -0.197 -1.504 1.059) 1.850 5.269 ( 0.437 -0.427 -0.692) 0.923 5.310 ( 1.983 -2.716 0.504) 3.401 5.329 ( 1.666 -1.196 -1.461) 2.518 5.405 ( 2.401 -1.524 0.775) 2.948 5.422 ( 2.059 -1.646 -0.766) 2.745 5.527 ( -1.508 -0.252 1.217) 1.954 5.554 ( -1.720 0.245 -1.019) 2.014 5.564 ( -2.265 -0.489 0.292) 2.335 5.582 ( -0.487 -0.534 -1.287) 1.476 5.828 ( -2.807 -0.776 2.311) 3.718 5.879 ( -2.660 0.212 -2.605) 3.729 5.988 ( -1.089 -1.522 3.222) 3.726 6.044 ( 0.476 -2.078 -2.094) 2.988 6.835 ( 3.504 -0.533 0.160) 3.548 6.839 ( 3.338 -0.373 -0.161) 3.362 ======================= Grid point 210 (76/98) ======================= q-point: (-0.31 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -10.191 2.832 5.822) 12.074 0.945 ( -4.381 3.724 5.947) 8.272 0.989 ( -4.972 0.412 -4.401) 6.653 1.103 ( -8.315 2.837 -10.074) 13.367 1.148 ( -7.277 7.362 10.897) 15.030 1.340 ( -7.622 5.462 -5.915) 11.087 1.518 ( -8.812 -1.625 5.955) 10.759 1.573 ( -4.608 -3.398 -1.144) 5.838 1.625 ( -5.023 0.596 2.777) 5.770 1.690 ( -2.765 -0.773 -0.005) 2.871 1.762 ( -5.064 -3.242 -2.894) 6.673 1.782 ( -4.810 -0.853 -3.000) 5.733 1.890 ( -11.345 5.049 4.118) 13.083 1.918 ( -7.867 -1.796 2.809) 8.545 2.040 ( -8.331 1.204 -0.135) 8.419 2.093 ( -5.132 1.907 -0.083) 5.475 2.159 ( -2.293 -1.203 -1.418) 2.953 2.186 ( -7.370 4.980 -9.379) 12.926 2.256 ( 0.296 0.939 2.971) 3.130 2.343 ( -1.990 3.408 -3.997) 5.617 2.410 ( -4.268 2.814 1.514) 5.331 2.447 ( -5.146 2.288 -1.996) 5.975 2.465 ( -2.039 -2.932 3.454) 4.968 2.542 ( -6.123 1.043 -1.134) 6.314 2.600 ( -5.813 3.221 0.610) 6.673 2.623 ( -3.446 3.501 0.769) 4.972 2.699 ( -2.130 1.521 -2.135) 3.377 2.754 ( -1.662 1.032 -4.223) 4.654 2.881 ( -2.397 0.409 6.268) 6.723 2.992 ( -2.008 2.461 -2.955) 4.339 3.036 ( 0.251 1.085 4.360) 4.500 3.116 ( 0.862 -0.143 -1.598) 1.821 3.212 ( -0.438 -4.470 1.476) 4.728 3.227 ( -1.250 -5.459 0.150) 5.602 3.319 ( 3.553 -2.361 1.131) 4.413 3.348 ( 3.901 -2.054 -1.497) 4.656 4.153 ( -5.932 1.745 0.361) 6.194 4.161 ( -5.868 1.741 -0.347) 6.131 4.226 ( -7.163 0.410 2.492) 7.596 4.295 ( -6.822 -1.937 -4.075) 8.179 4.576 ( -1.007 -0.755 0.832) 1.509 4.588 ( -1.768 -0.994 0.165) 2.035 4.674 ( -0.814 -0.166 0.249) 0.868 4.693 ( 0.703 0.536 -1.255) 1.535 4.739 ( -0.442 0.024 1.795) 1.849 4.777 ( 1.740 -0.496 -1.298) 2.227 5.089 ( 0.083 0.030 0.322) 0.334 5.104 ( 0.409 0.252 -0.574) 0.749 5.185 ( 1.375 1.032 4.445) 4.766 5.218 ( 0.669 -1.000 1.678) 2.065 5.263 ( 0.707 -1.780 -2.054) 2.809 5.297 ( 2.148 0.232 -3.208) 3.867 5.364 ( 2.213 -1.108 0.990) 2.666 5.377 ( 2.640 0.025 -0.153) 2.645 5.442 ( 0.765 0.184 0.471) 0.917 5.456 ( 0.945 -0.145 -0.841) 1.273 5.500 ( -1.076 0.304 1.566) 1.924 5.538 ( -0.671 -0.282 0.017) 0.728 5.546 ( -0.033 0.566 -1.028) 1.174 5.576 ( -0.562 -1.013 -1.795) 2.136 5.776 ( -2.511 0.225 2.101) 3.282 5.831 ( -1.714 1.287 -2.929) 3.630 5.995 ( 0.757 -2.369 5.366) 5.914 6.078 ( 1.767 -2.660 -2.773) 4.229 6.882 ( 1.075 -0.436 0.056) 1.162 6.884 ( 1.234 -0.734 -0.080) 1.438 ======================= Grid point 211 (77/98) ======================= q-point: (-0.23 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( -6.055 10.335 9.348) 15.194 0.799 ( -8.380 10.058 8.417) 15.564 0.887 ( -4.155 2.162 -10.168) 11.195 0.953 ( -5.678 6.250 -6.890) 10.898 1.030 ( -2.223 1.646 6.133) 6.728 1.180 ( -5.741 1.885 -6.199) 8.656 1.303 ( -10.430 13.310 12.017) 20.745 1.426 ( -7.639 7.863 3.787) 11.599 1.488 ( -4.696 6.403 6.261) 10.112 1.556 ( -7.030 2.208 -3.428) 8.127 1.686 ( -1.338 0.361 0.272) 1.412 1.709 ( -4.129 -2.062 -3.314) 5.681 1.725 ( -7.103 -0.515 2.098) 7.424 1.790 ( -8.256 0.578 -4.901) 9.619 1.924 ( -1.663 4.617 -4.669) 6.773 1.976 ( -0.617 -2.245 -6.881) 7.265 2.078 ( -3.834 1.613 -0.382) 4.177 2.105 ( -3.609 -0.491 -2.214) 4.262 2.269 ( 1.760 1.636 4.499) 5.101 2.326 ( 1.255 1.910 -1.615) 2.799 2.363 ( -1.153 -0.368 0.612) 1.356 2.375 ( -2.008 -0.917 -0.445) 2.252 2.416 ( -2.991 2.306 3.072) 4.868 2.443 ( -3.208 -0.734 1.156) 3.488 2.491 ( -5.236 0.428 -0.460) 5.273 2.564 ( -1.400 2.975 -4.405) 5.497 2.657 ( -1.043 1.610 2.512) 3.160 2.725 ( -0.518 0.967 -0.041) 1.097 2.874 ( 0.323 -2.770 1.826) 3.334 2.952 ( -0.475 0.593 -3.653) 3.732 3.042 ( 0.858 1.691 5.631) 5.942 3.133 ( 1.078 1.937 -2.703) 3.496 3.226 ( -0.512 -4.844 1.087) 4.991 3.234 ( -0.908 -6.037 0.223) 6.108 3.393 ( 2.317 -3.170 1.294) 4.134 3.423 ( 2.368 -3.020 -1.392) 4.082 4.044 ( -4.181 1.453 0.391) 4.444 4.052 ( -4.399 1.417 -0.355) 4.636 4.077 ( -7.059 0.982 1.654) 7.316 4.134 ( -10.722 -1.638 -4.197) 11.630 4.553 ( -1.363 -1.855 1.660) 2.838 4.579 ( -0.315 -1.428 -0.558) 1.565 4.665 ( -0.173 0.143 0.879) 0.908 4.695 ( 0.064 0.989 -1.393) 1.710 4.740 ( 0.122 -0.885 3.551) 3.662 4.826 ( 2.212 -0.809 -5.272) 5.774 5.105 ( 1.561 0.272 0.387) 1.631 5.124 ( 1.660 0.824 -0.886) 2.054 5.222 ( 1.959 -0.562 3.373) 3.941 5.245 ( 2.908 -0.725 5.961) 6.672 5.286 ( 0.913 -0.613 -2.977) 3.174 5.334 ( 1.042 -0.732 -2.768) 3.047 5.396 ( 0.837 -0.137 2.053) 2.221 5.419 ( 1.359 0.418 0.254) 1.445 5.430 ( -0.974 0.503 0.842) 1.382 5.456 ( -0.689 0.814 -1.595) 1.918 5.483 ( -1.306 -0.150 0.389) 1.371 5.510 ( -1.876 0.511 -1.148) 2.258 5.545 ( 0.494 1.733 0.515) 1.874 5.578 ( -0.120 -0.922 -1.899) 2.115 5.737 ( -0.999 1.380 1.784) 2.467 5.802 ( -0.142 3.020 -3.641) 4.733 6.042 ( 2.358 -3.734 7.490) 8.695 6.136 ( 2.286 -3.528 -2.282) 4.783 6.889 ( -0.366 -0.233 0.122) 0.450 6.893 ( -0.609 -0.694 -0.256) 0.958 ======================= Grid point 212 (78/98) ======================= q-point: (-0.15 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( 0.000 12.665 11.944) 17.409 0.583 ( 0.000 14.800 10.936) 18.402 0.821 ( 0.000 8.891 -11.703) 14.698 0.837 ( 0.000 3.150 -13.089) 13.463 1.016 ( 0.000 1.673 5.972) 6.202 1.060 ( 0.000 17.056 19.258) 25.725 1.143 ( 0.000 3.906 -1.924) 4.355 1.328 ( 0.000 3.143 7.688) 8.306 1.404 ( 0.000 6.402 0.233) 6.406 1.470 ( 0.000 1.512 -6.350) 6.527 1.642 ( -0.000 -0.585 2.298) 2.372 1.663 ( 0.000 8.066 -7.379) 10.932 1.672 ( -0.000 -1.631 -0.762) 1.800 1.675 ( 0.000 2.719 -3.692) 4.585 1.913 ( -0.000 -1.419 -0.591) 1.538 2.016 ( 0.000 1.211 1.575) 1.986 2.027 ( -0.000 -4.622 -8.888) 10.017 2.054 ( -0.000 -0.105 -1.894) 1.897 2.289 ( 0.000 0.916 4.814) 4.901 2.341 ( 0.000 2.098 -0.356) 2.128 2.354 ( -0.000 -1.336 0.570) 1.453 2.366 ( -0.000 -1.247 -0.571) 1.371 2.370 ( 0.000 3.482 3.976) 5.285 2.406 ( -0.000 -0.373 1.129) 1.189 2.428 ( -0.000 -0.988 -0.880) 1.324 2.532 ( 0.000 3.130 -7.152) 7.807 2.651 ( -0.000 -0.278 5.507) 5.514 2.718 ( 0.000 0.769 1.238) 1.457 2.896 ( -0.000 -3.004 0.884) 3.132 2.958 ( -0.000 -0.311 -3.534) 3.547 3.044 ( 0.000 1.346 4.396) 4.598 3.130 ( 0.000 3.039 -3.034) 4.295 3.246 ( -0.000 -4.107 1.009) 4.229 3.261 ( -0.000 -4.858 -0.614) 4.897 3.434 ( -0.000 -3.013 1.593) 3.408 3.465 ( -0.000 -3.186 -1.141) 3.384 3.977 ( 0.000 1.361 -0.045) 1.361 3.977 ( 0.000 1.408 -0.085) 1.410 4.000 ( 0.000 1.321 0.637) 1.466 4.012 ( 0.000 1.288 -0.506) 1.384 4.551 ( -0.000 -2.197 2.160) 3.081 4.587 ( -0.000 -2.075 -0.934) 2.276 4.664 ( 0.000 0.122 1.065) 1.072 4.691 ( 0.000 0.549 -1.022) 1.160 4.748 ( -0.000 -1.431 3.916) 4.169 4.852 ( -0.000 -0.559 -7.158) 7.180 5.124 ( 0.000 0.712 0.270) 0.761 5.139 ( 0.000 0.972 -0.651) 1.170 5.241 ( -0.000 -1.267 2.543) 2.841 5.300 ( 0.000 0.018 -2.753) 2.753 5.331 ( -0.000 -0.553 0.234) 0.601 5.337 ( -0.000 -0.551 -0.243) 0.602 5.404 ( 0.000 0.113 3.172) 3.174 5.425 ( -0.000 -2.886 4.643) 5.467 5.427 ( 0.000 0.702 0.104) 0.710 5.429 ( 0.000 0.753 -0.095) 0.759 5.445 ( 0.000 0.202 -1.802) 1.814 5.493 ( 0.000 1.098 -1.345) 1.736 5.538 ( 0.000 2.291 1.522) 2.750 5.579 ( -0.000 -0.699 -2.096) 2.210 5.717 ( 0.000 2.660 1.573) 3.090 5.785 ( 0.000 3.509 -3.858) 5.215 6.106 ( -0.000 -7.104 8.229) 10.871 6.185 ( -0.000 -4.206 -1.092) 4.345 6.881 ( 0.000 0.005 0.072) 0.072 6.883 ( 0.000 0.039 -0.073) 0.082 ======================= Grid point 217 (79/98) ======================= q-point: ( 0.23 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 0.469 0.000 3.740) 3.769 1.163 ( 0.759 0.000 -3.692) 3.769 1.608 ( -2.415 -0.000 2.121) 3.214 1.680 ( 0.690 0.000 0.067) 0.694 1.705 ( -2.256 -0.000 -0.791) 2.390 1.766 ( -0.757 -0.000 -2.421) 2.536 1.831 ( -1.270 -0.000 3.326) 3.560 1.832 ( 0.501 0.000 1.489) 1.571 1.838 ( -6.206 -0.000 4.062) 7.417 1.871 ( -5.785 -0.000 -0.054) 5.785 1.895 ( 1.378 0.000 2.992) 3.294 1.934 ( -2.690 -0.000 3.483) 4.401 2.056 ( -0.783 -0.000 -3.700) 3.782 2.112 ( 2.488 0.000 -6.269) 6.745 2.206 ( -2.907 -0.000 1.981) 3.518 2.243 ( -1.258 -0.000 0.349) 1.306 2.256 ( -1.797 -0.000 0.237) 1.812 2.316 ( -0.364 -0.000 1.895) 1.929 2.338 ( -2.900 -0.000 -6.995) 7.573 2.390 ( -0.556 -0.000 -3.595) 3.638 2.432 ( 4.997 0.000 1.569) 5.238 2.490 ( 1.671 0.000 -4.381) 4.689 2.677 ( -1.510 -0.000 1.802) 2.351 2.711 ( -0.928 -0.000 -2.111) 2.306 2.792 ( -2.442 -0.000 0.621) 2.520 2.804 ( -2.278 -0.000 -0.347) 2.304 2.833 ( 1.278 0.000 0.862) 1.541 2.837 ( 1.809 0.000 0.219) 1.822 3.134 ( 1.802 0.000 3.533) 3.966 3.149 ( -0.222 -0.000 2.099) 2.111 3.176 ( 2.006 0.000 0.229) 2.019 3.186 ( 2.164 0.000 -0.622) 2.252 3.464 ( 7.490 0.000 0.140) 7.492 3.471 ( 6.652 0.000 -0.499) 6.671 3.484 ( 4.106 0.000 0.276) 4.116 3.486 ( 4.574 0.000 0.087) 4.575 4.380 ( -1.304 -0.000 0.727) 1.493 4.396 ( -1.563 -0.000 -0.662) 1.697 4.469 ( 2.601 0.000 0.967) 2.775 4.486 ( 2.106 0.000 -0.539) 2.174 4.633 ( 2.221 0.000 0.093) 2.223 4.650 ( 1.865 0.000 -1.419) 2.344 4.776 ( -0.267 -0.000 0.131) 0.297 4.782 ( 0.021 0.000 -0.376) 0.376 4.798 ( -0.293 -0.000 0.224) 0.369 4.800 ( -0.368 -0.000 0.020) 0.369 5.137 ( -0.948 -0.000 0.161) 0.962 5.141 ( -0.714 -0.000 -0.082) 0.719 5.204 ( 0.052 0.000 0.709) 0.711 5.225 ( 0.726 0.000 -1.613) 1.769 5.282 ( -1.896 -0.000 1.660) 2.520 5.308 ( -0.728 -0.000 0.449) 0.855 5.319 ( 0.952 0.000 0.255) 0.986 5.324 ( -1.133 -0.000 -0.818) 1.398 5.349 ( -2.194 -0.000 1.055) 2.435 5.377 ( -2.012 -0.000 -1.273) 2.381 5.532 ( -0.326 -0.000 0.552) 0.642 5.546 ( -0.315 -0.000 -0.783) 0.844 5.918 ( -0.683 -0.000 1.134) 1.324 5.949 ( -0.705 -0.000 -1.900) 2.027 6.031 ( 0.089 0.000 1.533) 1.535 6.056 ( 0.182 0.000 -0.948) 0.965 6.108 ( 9.722 0.000 0.206) 9.724 6.110 ( 10.122 0.000 -0.019) 10.122 6.419 ( -9.713 -0.000 0.156) 9.714 6.423 ( -9.203 -0.000 -0.184) 9.205 ======================= Grid point 218 (80/98) ======================= q-point: (-0.69 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -0.508 -0.006 4.066) 4.097 1.170 ( -0.074 0.025 -4.022) 4.022 1.545 ( -4.294 2.440 2.165) 5.392 1.592 ( -7.131 -0.525 -1.864) 7.390 1.673 ( -2.488 -0.558 1.692) 3.060 1.708 ( -5.541 -2.777 -0.994) 6.278 1.724 ( -3.771 -0.058 2.832) 4.717 1.769 ( -3.468 0.275 -1.372) 3.740 1.796 ( -2.054 0.387 3.793) 4.331 1.817 ( -2.361 -0.293 2.497) 3.449 1.902 ( -1.039 -1.684 6.363) 6.663 1.955 ( 2.890 -0.216 3.743) 4.734 2.057 ( 0.460 0.163 -4.106) 4.135 2.121 ( -3.342 0.244 -10.180) 10.717 2.148 ( -2.608 -0.244 3.415) 4.304 2.210 ( -1.740 0.062 -0.902) 1.961 2.217 ( -0.504 -0.697 -1.979) 2.157 2.291 ( -1.006 0.611 -9.038) 9.114 2.325 ( 0.946 -0.071 0.783) 1.230 2.363 ( -0.740 -1.607 -3.073) 3.545 2.526 ( 4.186 0.840 2.089) 4.753 2.560 ( 4.047 1.026 -0.700) 4.234 2.683 ( 1.399 -0.446 3.245) 3.562 2.731 ( 2.424 -0.049 -1.843) 3.045 2.768 ( 0.358 0.433 0.666) 0.871 2.786 ( 0.900 0.509 -0.850) 1.339 2.856 ( 1.004 -0.053 1.618) 1.905 2.881 ( 2.123 0.010 -0.818) 2.276 3.131 ( -1.281 0.015 3.869) 4.075 3.158 ( 0.743 -0.009 0.513) 0.903 3.205 ( 0.713 0.040 1.164) 1.365 3.221 ( 0.901 0.158 -0.753) 1.185 3.490 ( -2.991 0.886 0.396) 3.145 3.499 ( -2.600 1.106 -0.448) 2.861 3.520 ( -1.587 -0.405 0.402) 1.687 3.529 ( -1.103 -0.733 -0.424) 1.391 4.360 ( -0.715 -0.261 0.569) 0.950 4.371 ( -1.003 -0.279 -0.351) 1.098 4.504 ( 0.774 0.102 0.469) 0.910 4.509 ( 0.242 0.016 -0.084) 0.257 4.672 ( 1.772 0.891 -0.438) 2.031 4.686 ( 1.737 0.827 -1.714) 2.576 4.765 ( -0.518 0.631 0.517) 0.967 4.773 ( -0.528 1.033 -0.204) 1.178 4.785 ( -1.033 -0.973 0.674) 1.571 4.793 ( -0.850 -1.597 -0.133) 1.814 5.111 ( -1.485 -0.149 0.247) 1.513 5.125 ( -0.980 -0.065 -0.807) 1.271 5.186 ( -1.687 -0.203 1.892) 2.543 5.221 ( -1.282 0.204 -1.515) 1.995 5.253 ( -1.383 -0.548 0.220) 1.504 5.267 ( -2.069 -0.338 -1.117) 2.376 5.304 ( -1.245 0.065 1.362) 1.847 5.323 ( -0.504 0.504 -0.003) 0.713 5.333 ( -0.462 -0.598 0.938) 1.204 5.352 ( -0.585 -0.200 -0.955) 1.137 5.531 ( 0.318 -0.018 0.532) 0.620 5.544 ( 0.098 0.033 -0.655) 0.663 5.892 ( -1.773 -0.121 1.331) 2.221 5.927 ( -1.659 -0.103 -2.102) 2.680 6.017 ( -1.779 -0.039 1.584) 2.382 6.044 ( -1.642 -0.024 -1.052) 1.950 6.114 ( -9.566 0.033 0.441) 9.576 6.121 ( -8.614 0.045 -0.231) 8.618 6.409 ( 9.184 -0.049 0.518) 9.199 6.420 ( 9.100 -0.017 -0.533) 9.115 ======================= Grid point 219 (81/98) ======================= q-point: (-0.62 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -1.399 0.045 4.441) 4.656 1.158 ( -1.093 0.272 -4.282) 4.428 1.424 ( -6.681 -1.710 2.879) 7.473 1.477 ( -6.011 -2.894 -1.347) 6.806 1.602 ( -5.854 -2.434 -1.386) 6.490 1.611 ( -5.174 -1.906 -0.561) 5.543 1.687 ( -1.537 -0.784 5.692) 5.948 1.717 ( -3.636 -0.331 4.730) 5.975 1.753 ( -1.311 -0.287 0.856) 1.592 1.778 ( -2.128 -1.560 1.277) 2.932 1.890 ( -1.517 -0.558 2.177) 2.712 1.984 ( -0.347 -0.762 1.167) 1.437 2.019 ( -4.330 -0.828 -3.660) 5.730 2.054 ( -1.077 0.927 -2.477) 2.855 2.119 ( -0.469 0.251 2.501) 2.557 2.192 ( -0.342 -0.729 -1.001) 1.285 2.239 ( 1.320 -0.991 -7.923) 8.093 2.272 ( -0.235 2.329 -9.314) 9.603 2.362 ( 2.206 0.057 2.259) 3.158 2.398 ( 2.464 -3.511 -2.031) 4.746 2.570 ( 0.455 1.094 2.023) 2.344 2.610 ( 1.654 0.974 0.066) 1.921 2.698 ( -0.251 -0.201 2.759) 2.777 2.758 ( 0.393 0.756 -2.045) 2.216 2.812 ( 3.672 -0.264 1.658) 4.038 2.842 ( 4.372 -0.349 -1.263) 4.564 2.886 ( 2.588 0.269 1.393) 2.951 2.917 ( 2.180 0.927 -1.544) 2.828 3.102 ( -1.779 0.176 5.454) 5.740 3.148 ( -2.322 0.456 0.120) 2.369 3.202 ( -0.808 -0.049 0.189) 0.831 3.206 ( -2.477 0.677 -0.657) 2.651 3.371 ( -8.424 0.985 0.693) 8.510 3.385 ( -8.151 1.274 -0.559) 8.269 3.438 ( -5.857 1.065 0.433) 5.969 3.448 ( -6.453 1.310 -0.524) 6.606 4.354 ( -0.398 -0.651 0.363) 0.845 4.360 ( -0.636 -0.806 -0.134) 1.035 4.492 ( -1.659 0.600 0.196) 1.775 4.495 ( -1.598 0.272 -0.050) 1.622 4.670 ( -1.132 2.968 -0.212) 3.184 4.684 ( -1.068 2.262 -1.649) 2.996 4.757 ( -1.325 -0.843 0.543) 1.661 4.761 ( -0.425 -0.394 0.038) 0.581 4.783 ( -0.505 -0.818 0.453) 1.063 4.784 ( 0.928 -0.126 0.239) 0.967 5.096 ( -0.166 -0.561 0.292) 0.654 5.113 ( -0.051 -0.001 -0.747) 0.749 5.164 ( -0.905 -1.673 0.622) 2.001 5.187 ( -1.776 -0.320 -1.272) 2.208 5.228 ( -1.702 -1.732 0.442) 2.468 5.235 ( -1.639 -0.854 -0.740) 1.991 5.290 ( -0.350 -0.311 1.320) 1.400 5.305 ( -0.792 0.519 0.579) 1.110 5.325 ( -0.611 -1.136 0.311) 1.327 5.344 ( -0.649 -0.682 -1.019) 1.388 5.543 ( 0.804 0.084 0.138) 0.820 5.546 ( 0.111 0.058 -0.168) 0.209 5.829 ( -8.951 -0.144 0.300) 8.957 5.834 ( -8.739 -0.604 -0.076) 8.760 5.900 ( -5.701 -0.229 1.441) 5.885 5.944 ( -2.234 -0.291 -2.699) 3.516 6.034 ( -1.323 -0.043 0.966) 1.639 6.042 ( -1.205 -0.263 0.024) 1.234 6.593 ( 8.879 -0.133 0.434) 8.890 6.603 ( 8.801 -0.076 -0.448) 8.813 ======================= Grid point 220 (82/98) ======================= q-point: (-0.54 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -2.328 0.077 4.516) 5.081 1.123 ( -2.330 0.449 -4.306) 4.917 1.304 ( -8.093 -3.493 4.189) 9.760 1.399 ( -4.555 -3.913 -4.264) 7.365 1.497 ( -5.457 -1.960 1.045) 5.892 1.544 ( -3.445 -3.995 -3.469) 6.314 1.594 ( -6.099 1.281 6.543) 9.036 1.689 ( -1.875 -2.393 5.839) 6.583 1.696 ( -5.038 0.186 0.554) 5.072 1.750 ( -1.865 -2.239 -0.606) 2.976 1.856 ( -1.958 -0.980 4.118) 4.664 1.953 ( -3.779 0.723 -3.433) 5.156 1.981 ( -1.447 -1.022 -1.017) 2.042 2.027 ( -0.056 -1.782 -1.560) 2.369 2.129 ( 1.152 -0.241 2.336) 2.615 2.199 ( 0.395 -0.695 -0.328) 0.864 2.242 ( -0.944 0.859 -5.114) 5.271 2.280 ( 1.271 -0.132 -10.190) 10.270 2.387 ( -0.021 0.464 3.778) 3.807 2.457 ( 0.487 -4.108 -1.813) 4.517 2.517 ( -4.939 0.959 1.696) 5.310 2.610 ( -1.314 -0.079 -2.975) 3.253 2.675 ( -1.989 0.336 2.216) 2.996 2.746 ( -1.333 1.109 -2.956) 3.427 2.865 ( 0.357 0.107 3.586) 3.605 2.920 ( 1.823 1.215 -1.719) 2.785 2.945 ( 2.725 0.617 0.576) 2.852 2.957 ( 1.545 0.728 -0.508) 1.782 3.055 ( -2.959 1.138 3.557) 4.765 3.061 ( -5.222 2.291 0.839) 5.764 3.102 ( -7.326 3.036 2.879) 8.436 3.171 ( -3.192 -0.504 -1.102) 3.414 3.191 ( -7.938 0.406 0.720) 7.981 3.220 ( -6.072 -0.326 -1.820) 6.347 3.315 ( -5.054 2.321 0.452) 5.580 3.326 ( -4.264 2.163 -0.158) 4.783 4.340 ( -1.817 -0.640 0.227) 1.940 4.344 ( -1.863 -0.972 -0.126) 2.104 4.439 ( -3.337 1.191 0.555) 3.586 4.450 ( -2.782 0.738 -0.458) 2.914 4.621 ( -1.881 2.163 0.439) 2.899 4.642 ( -1.776 1.337 -1.599) 2.738 4.727 ( -2.260 -1.008 0.626) 2.553 4.730 ( -2.591 -0.762 0.232) 2.711 4.786 ( 0.095 0.779 0.664) 1.028 4.796 ( -0.144 0.880 -0.269) 0.931 5.102 ( -0.094 -0.315 0.255) 0.416 5.122 ( 0.376 -0.176 -1.268) 1.334 5.154 ( 0.007 0.260 0.620) 0.672 5.180 ( 0.645 -0.741 -1.701) 1.964 5.222 ( -0.262 -2.409 0.812) 2.555 5.227 ( 0.386 -3.350 0.881) 3.485 5.273 ( -1.239 0.364 1.530) 2.002 5.307 ( 0.213 -0.215 -1.316) 1.351 5.329 ( 0.813 -1.950 0.643) 2.208 5.349 ( 1.074 -2.161 -0.978) 2.604 5.542 ( -0.466 0.002 0.816) 0.940 5.562 ( 0.966 0.138 -1.012) 1.406 5.651 ( -7.538 -0.156 0.164) 7.541 5.657 ( -7.813 -0.246 -0.420) 7.828 5.854 ( -1.910 -1.000 2.800) 3.534 5.918 ( -1.566 -0.386 -3.235) 3.615 6.008 ( -1.813 -0.182 1.132) 2.145 6.023 ( -0.890 -1.030 -0.280) 1.389 6.738 ( 6.122 -0.243 0.347) 6.136 6.746 ( 6.023 -0.172 -0.354) 6.036 ======================= Grid point 221 (83/98) ======================= q-point: (-0.46 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -3.070 0.070 4.174) 5.182 1.067 ( -3.222 0.378 -4.268) 5.361 1.148 ( -8.106 2.546 5.154) 9.937 1.289 ( -7.661 0.445 -8.355) 11.345 1.406 ( -5.264 5.424 8.868) 11.651 1.507 ( -3.043 -6.450 1.565) 7.302 1.524 ( -1.713 -4.585 -4.270) 6.496 1.575 ( -6.471 0.222 0.104) 6.475 1.669 ( -1.464 0.775 4.090) 4.413 1.715 ( -3.033 -3.132 -0.117) 4.361 1.804 ( -4.704 -2.281 3.229) 6.145 1.855 ( -5.973 -0.209 -3.864) 7.117 1.945 ( -2.098 -2.115 3.142) 4.329 2.066 ( -0.136 -5.753 -3.859) 6.928 2.152 ( 0.616 0.041 1.269) 1.411 2.182 ( -5.409 2.240 1.559) 6.058 2.196 ( -2.397 1.705 -0.741) 3.033 2.274 ( -3.063 -2.345 -4.322) 5.794 2.325 ( -4.490 0.661 -0.285) 4.548 2.426 ( -3.666 -0.501 -9.410) 10.111 2.452 ( -1.329 -1.942 6.455) 6.870 2.579 ( -2.766 -0.772 -2.048) 3.527 2.627 ( -2.564 2.382 -0.495) 3.534 2.674 ( -5.886 3.163 -2.639) 7.184 2.786 ( -7.450 4.008 1.222) 8.547 2.818 ( -7.262 4.761 -1.750) 8.858 2.850 ( -8.808 5.323 1.266) 10.369 2.858 ( -7.064 5.006 0.167) 8.659 2.979 ( -3.133 2.075 5.177) 6.397 3.019 ( 0.653 0.382 3.189) 3.278 3.053 ( 1.384 0.467 -1.138) 1.852 3.113 ( -2.770 -1.119 -1.971) 3.579 3.150 ( 0.375 -3.068 1.726) 3.540 3.180 ( -1.540 -3.573 -1.276) 4.095 3.260 ( -0.144 -0.006 0.302) 0.335 3.267 ( 0.063 -0.188 -0.047) 0.203 4.281 ( -4.536 0.406 0.298) 4.564 4.287 ( -4.488 0.204 -0.235) 4.499 4.352 ( -5.073 1.174 1.215) 5.347 4.380 ( -4.280 0.196 -1.378) 4.501 4.588 ( -0.954 0.384 0.733) 1.263 4.610 ( -1.739 -0.810 -1.163) 2.243 4.687 ( -1.769 -0.874 0.459) 2.026 4.692 ( -1.316 -0.191 -0.062) 1.331 4.768 ( -1.543 0.865 0.548) 1.852 4.775 ( -0.678 0.695 0.080) 0.975 5.093 ( -0.644 -0.226 -0.071) 0.686 5.108 ( -0.924 -0.304 -1.123) 1.486 5.185 ( 1.740 1.518 1.732) 2.886 5.192 ( 0.619 -0.483 0.394) 0.878 5.231 ( -0.539 -1.733 1.359) 2.267 5.267 ( 1.201 -0.348 -1.362) 1.849 5.283 ( 3.337 -2.038 0.881) 4.008 5.318 ( 1.924 -0.810 -2.360) 3.151 5.388 ( 3.435 -1.558 0.852) 3.866 5.404 ( 3.026 -1.521 -0.686) 3.456 5.524 ( -1.472 -0.192 1.615) 2.194 5.556 ( -2.102 0.122 -0.540) 2.174 5.560 ( -2.514 -0.312 -0.166) 2.539 5.577 ( -0.183 -0.317 -2.118) 2.150 5.819 ( -2.381 -0.850 3.151) 4.040 5.880 ( -2.318 0.005 -2.749) 3.596 5.975 ( -1.477 -0.907 2.680) 3.192 6.024 ( 0.282 -1.637 -1.877) 2.506 6.830 ( 3.433 -0.400 0.228) 3.464 6.835 ( 3.299 -0.289 -0.228) 3.319 ======================= Grid point 222 (84/98) ======================= q-point: (-0.38 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -4.558 3.523 3.274) 6.626 0.989 ( -4.141 3.783 1.432) 5.789 1.002 ( -4.204 3.473 -0.386) 5.467 1.140 ( -5.889 4.040 -8.137) 10.826 1.245 ( -6.562 10.325 10.615) 16.197 1.399 ( -8.430 5.075 -3.155) 10.334 1.488 ( -5.068 -4.708 2.428) 7.331 1.533 ( -1.365 -3.496 -1.826) 4.173 1.628 ( -1.740 0.576 3.546) 3.992 1.665 ( -3.003 -3.053 0.713) 4.342 1.731 ( -5.468 -2.499 -1.959) 6.323 1.769 ( -1.452 -1.072 -4.888) 5.211 1.885 ( -7.424 -3.464 3.913) 9.079 1.937 ( -13.460 1.621 1.147) 13.606 2.047 ( -5.571 0.155 3.878) 6.790 2.124 ( -4.582 3.220 -0.184) 5.604 2.138 ( -2.167 -1.713 -0.302) 2.779 2.228 ( -3.430 2.585 -8.454) 9.482 2.268 ( 0.162 1.083 1.774) 2.084 2.376 ( -1.940 2.331 -7.103) 7.723 2.434 ( -2.422 -1.177 4.906) 5.597 2.464 ( -6.628 5.405 1.950) 8.772 2.481 ( -6.100 3.703 -1.596) 7.312 2.554 ( -5.444 2.596 -4.325) 7.422 2.650 ( -4.956 4.252 2.199) 6.890 2.658 ( -5.702 3.770 2.455) 7.264 2.717 ( -2.481 1.832 -2.777) 4.150 2.761 ( -2.232 0.411 -5.312) 5.777 2.891 ( -4.045 1.615 7.505) 8.677 3.013 ( -2.977 1.509 -3.517) 4.848 3.044 ( 0.447 0.230 3.614) 3.649 3.110 ( 1.514 -1.094 -1.398) 2.333 3.156 ( -2.029 -6.148 1.611) 6.671 3.165 ( -2.147 -5.499 0.980) 5.984 3.292 ( 2.533 -2.628 1.164) 3.831 3.326 ( 3.356 -1.805 -2.005) 4.306 4.171 ( -5.848 1.578 0.376) 6.069 4.179 ( -5.764 1.572 -0.318) 5.983 4.231 ( -7.136 0.477 1.800) 7.375 4.276 ( -7.204 -1.443 -2.461) 7.748 4.565 ( -2.139 -1.262 0.790) 2.606 4.579 ( -1.335 -0.727 -0.173) 1.530 4.669 ( -0.547 -0.696 0.953) 1.301 4.700 ( 1.349 0.732 -1.490) 2.139 4.742 ( -0.771 0.310 1.142) 1.412 4.772 ( 0.961 -0.392 -1.004) 1.444 5.088 ( 0.138 -0.176 0.149) 0.269 5.106 ( 0.600 0.058 -1.069) 1.227 5.188 ( 0.320 -0.549 3.435) 3.493 5.211 ( 0.310 -0.678 4.214) 4.279 5.248 ( 1.750 -0.598 -2.584) 3.178 5.302 ( 2.158 0.618 -3.399) 4.074 5.355 ( 2.956 -0.579 1.139) 3.220 5.378 ( 3.342 0.193 -1.042) 3.506 5.444 ( 1.286 0.171 0.675) 1.463 5.455 ( 1.478 -0.075 -0.490) 1.559 5.502 ( -0.800 -0.063 1.864) 2.029 5.532 ( -0.779 -0.470 0.799) 1.211 5.553 ( 1.215 0.028 -1.464) 1.903 5.567 ( -1.014 -0.294 -3.579) 3.731 5.778 ( -1.840 0.183 3.214) 3.708 5.843 ( -0.927 1.033 -2.954) 3.264 5.973 ( 0.602 -1.673 4.804) 5.122 6.051 ( 1.503 -2.230 -2.732) 3.833 6.877 ( 1.220 -0.547 0.073) 1.339 6.878 ( 1.115 -0.349 -0.076) 1.171 ======================= Grid point 223 (85/98) ======================= q-point: (-0.31 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -2.213 12.277 4.501) 13.262 0.895 ( -4.852 7.417 1.836) 9.051 0.917 ( -1.973 3.168 -1.346) 3.968 1.026 ( -3.848 7.025 -6.755) 10.478 1.072 ( -5.078 6.559 6.142) 10.321 1.209 ( -7.334 3.502 -4.567) 9.323 1.390 ( -3.048 4.764 7.843) 9.669 1.503 ( -2.500 4.052 -1.626) 5.031 1.568 ( -2.992 5.428 4.213) 7.494 1.620 ( -9.787 10.920 3.004) 14.969 1.660 ( -1.488 -4.759 -0.919) 5.070 1.678 ( -1.690 -2.592 0.745) 3.183 1.728 ( -6.693 0.546 0.969) 6.785 1.774 ( -6.541 -2.169 -0.884) 6.948 1.940 ( -1.219 -0.265 -2.937) 3.190 2.018 ( -3.416 5.612 -5.007) 8.261 2.092 ( -3.755 -1.844 -1.102) 4.326 2.109 ( -4.768 6.145 -7.073) 10.513 2.288 ( 1.866 1.745 4.510) 5.183 2.343 ( -0.499 1.018 -0.089) 1.137 2.362 ( -1.023 0.305 -0.500) 1.179 2.376 ( -2.288 1.537 -1.951) 3.376 2.418 ( -1.810 -1.001 1.818) 2.754 2.456 ( -3.761 1.835 0.074) 4.186 2.511 ( -5.103 3.702 2.299) 6.710 2.597 ( -1.494 2.743 -1.604) 3.512 2.671 ( -1.604 1.212 -1.386) 2.442 2.734 ( -0.691 0.512 -2.051) 2.224 2.845 ( -0.852 -2.401 4.421) 5.102 2.955 ( -1.667 0.007 -4.366) 4.673 3.058 ( 0.893 0.939 5.573) 5.721 3.141 ( 0.410 -2.850 -2.611) 3.887 3.160 ( -0.506 -5.100 1.693) 5.397 3.168 ( -0.738 -5.954 0.881) 6.064 3.355 ( 1.887 -3.789 1.168) 4.391 3.391 ( 2.011 -2.679 -2.073) 3.939 4.061 ( -4.380 1.620 0.379) 4.686 4.068 ( -4.654 1.556 -0.306) 4.917 4.088 ( -6.421 1.003 1.141) 6.599 4.121 ( -8.993 -0.768 -2.091) 9.265 4.535 ( -1.458 -1.568 1.672) 2.717 4.566 ( -0.586 -1.028 -1.094) 1.612 4.666 ( -0.108 0.034 1.591) 1.595 4.709 ( 0.276 1.619 -1.495) 2.220 4.734 ( -0.047 -0.402 3.059) 3.086 4.815 ( 2.204 -1.172 -5.211) 5.778 5.103 ( 1.186 -0.454 0.356) 1.319 5.126 ( 1.219 -0.231 -1.486) 1.936 5.212 ( 1.073 -1.311 2.937) 3.391 5.234 ( 2.291 -1.677 5.792) 6.451 5.284 ( 1.863 0.327 -2.150) 2.864 5.329 ( 0.534 -0.238 -2.402) 2.472 5.393 ( 0.681 -0.446 2.346) 2.483 5.426 ( 1.687 0.862 -0.334) 1.923 5.438 ( -0.657 0.968 1.178) 1.660 5.463 ( -0.426 0.444 -1.483) 1.605 5.479 ( -2.225 -0.208 0.282) 2.253 5.511 ( -1.389 -0.096 -0.930) 1.674 5.565 ( 0.848 0.794 -1.666) 2.031 5.578 ( 1.357 1.536 -1.692) 2.658 5.753 ( -0.299 1.511 3.224) 3.573 5.833 ( 0.625 2.721 -3.906) 4.801 6.010 ( 1.801 -2.289 6.540) 7.160 6.100 ( 1.883 -3.001 -2.460) 4.314 6.887 ( -0.214 -0.273 0.014) 0.347 6.887 ( -0.240 -0.334 -0.043) 0.414 ======================= Grid point 224 (86/98) ======================= q-point: (-0.23 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 0.000 13.989 6.395) 15.381 0.743 ( 0.000 14.498 7.803) 16.464 0.877 ( 0.000 4.076 -7.601) 8.625 0.923 ( 0.000 9.761 -9.206) 13.418 1.013 ( 0.000 0.907 4.585) 4.674 1.129 ( 0.000 1.418 -3.891) 4.141 1.342 ( 0.000 24.387 15.525) 28.909 1.366 ( 0.000 3.798 6.460) 7.493 1.488 ( 0.000 1.710 -5.531) 5.789 1.492 ( 0.000 9.151 5.027) 10.441 1.637 ( -0.000 -0.429 1.830) 1.880 1.657 ( -0.000 -0.830 -0.411) 0.926 1.688 ( 0.000 0.341 -1.187) 1.235 1.708 ( -0.000 -1.578 -4.459) 4.730 1.952 ( 0.000 8.698 -9.479) 12.865 1.975 ( -0.000 -3.774 -8.128) 8.962 2.026 ( 0.000 0.336 0.938) 0.996 2.049 ( -0.000 -1.016 -1.186) 1.562 2.305 ( 0.000 1.917 5.323) 5.658 2.338 ( -0.000 -1.512 0.618) 1.634 2.352 ( -0.000 -1.376 -0.596) 1.499 2.371 ( 0.000 3.413 -0.654) 3.475 2.402 ( -0.000 -0.369 0.725) 0.814 2.416 ( 0.000 4.883 3.809) 6.193 2.417 ( -0.000 -1.055 -0.605) 1.216 2.565 ( 0.000 2.960 -6.730) 7.353 2.654 ( 0.000 0.535 4.328) 4.360 2.726 ( 0.000 0.703 -0.012) 0.703 2.859 ( -0.000 -3.792 2.064) 4.317 2.949 ( -0.000 -1.171 -4.276) 4.434 3.061 ( 0.000 1.606 5.802) 6.021 3.155 ( 0.000 0.717 -3.344) 3.420 3.186 ( -0.000 -6.501 1.357) 6.641 3.197 ( -0.000 -6.601 0.101) 6.602 3.396 ( -0.000 -3.957 1.237) 4.146 3.428 ( -0.000 -3.374 -1.585) 3.727 3.993 ( 0.000 1.581 0.003) 1.581 3.994 ( 0.000 1.689 -0.143) 1.695 4.016 ( 0.000 1.645 0.623) 1.759 4.028 ( 0.000 1.595 -0.483) 1.666 4.530 ( -0.000 -1.795 2.078) 2.746 4.568 ( -0.000 -1.433 -1.306) 1.939 4.664 ( 0.000 0.077 1.379) 1.381 4.701 ( 0.000 1.485 -1.502) 2.112 4.738 ( -0.000 -0.670 4.092) 4.147 4.844 ( -0.000 -0.930 -7.171) 7.231 5.123 ( -0.000 -0.726 0.180) 0.748 5.142 ( -0.000 -0.383 -1.158) 1.219 5.228 ( -0.000 -1.324 3.398) 3.647 5.290 ( -0.000 -2.150 -1.659) 2.715 5.325 ( -0.000 -0.606 0.238) 0.651 5.330 ( -0.000 -0.591 -0.248) 0.641 5.385 ( -0.000 -2.012 7.156) 7.434 5.423 ( 0.000 1.430 0.960) 1.723 5.435 ( 0.000 0.766 0.130) 0.777 5.438 ( 0.000 0.817 -0.120) 0.825 5.452 ( 0.000 0.979 -1.665) 1.932 5.500 ( 0.000 0.493 -2.219) 2.273 5.568 ( 0.000 2.203 -1.029) 2.431 5.581 ( 0.000 1.596 -1.363) 2.099 5.742 ( 0.000 2.104 2.593) 3.339 5.824 ( 0.000 3.598 -4.310) 5.614 6.048 ( -0.000 -3.764 7.705) 8.575 6.140 ( -0.000 -3.810 -1.900) 4.257 6.881 ( 0.000 0.008 0.089) 0.090 6.883 ( 0.000 0.044 -0.090) 0.100 ======================= Grid point 231 (87/98) ======================= q-point: (-0.69 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -1.372 -0.000 4.501) 4.705 1.160 ( -1.032 -0.000 -4.334) 4.455 1.416 ( -8.897 -0.000 2.835) 9.338 1.460 ( -5.465 -0.000 -0.560) 5.493 1.589 ( -5.948 -0.000 -1.952) 6.260 1.599 ( -4.557 -0.000 -1.662) 4.851 1.682 ( -1.039 -0.000 5.571) 5.667 1.716 ( -3.781 -0.000 5.013) 6.279 1.759 ( -1.889 -0.000 1.428) 2.368 1.761 ( -2.322 -0.000 3.181) 3.938 1.889 ( -0.485 -0.000 0.811) 0.944 1.976 ( -2.876 -0.000 -1.362) 3.182 2.017 ( -2.419 -0.000 -1.061) 2.642 2.058 ( -0.711 -0.000 -2.392) 2.495 2.122 ( -0.805 -0.000 2.499) 2.626 2.187 ( -0.414 -0.000 -1.444) 1.502 2.232 ( 0.642 0.000 -7.606) 7.633 2.289 ( 0.374 0.000 -12.540) 12.546 2.363 ( 2.426 0.000 2.304) 3.345 2.374 ( 2.326 0.000 0.698) 2.428 2.575 ( 0.249 0.000 2.033) 2.049 2.615 ( 1.327 0.000 0.228) 1.347 2.697 ( -0.161 -0.000 2.971) 2.975 2.762 ( 0.632 0.000 -2.209) 2.298 2.811 ( 3.416 0.000 1.599) 3.771 2.840 ( 4.336 0.000 -1.269) 4.518 2.888 ( 2.633 0.000 1.546) 3.053 2.923 ( 2.171 0.000 -1.741) 2.783 3.103 ( -1.712 -0.000 5.566) 5.823 3.151 ( -2.161 -0.000 0.297) 2.181 3.202 ( -0.909 -0.000 0.108) 0.915 3.210 ( -2.321 -0.000 -0.910) 2.493 3.377 ( -8.526 -0.000 0.761) 8.560 3.392 ( -8.340 -0.000 -0.625) 8.364 3.444 ( -5.442 -0.000 0.519) 5.467 3.455 ( -5.891 -0.000 -0.555) 5.917 4.351 ( -0.396 -0.000 0.329) 0.515 4.355 ( -0.667 -0.000 -0.091) 0.673 4.496 ( -1.613 -0.000 0.115) 1.617 4.496 ( -1.544 -0.000 0.019) 1.544 4.692 ( -0.613 -0.000 -1.020) 1.190 4.695 ( -1.627 -0.000 -1.208) 2.026 4.752 ( -1.491 -0.000 0.529) 1.582 4.756 ( -1.535 -0.000 0.225) 1.552 4.778 ( 0.728 0.000 0.803) 1.084 4.784 ( 1.395 0.000 0.126) 1.401 5.092 ( -0.141 -0.000 0.208) 0.251 5.113 ( 0.028 0.000 -1.474) 1.475 5.154 ( -1.068 -0.000 1.667) 1.980 5.185 ( -1.974 -0.000 -1.200) 2.310 5.219 ( -1.951 -0.000 0.409) 1.994 5.231 ( -1.701 -0.000 -1.155) 2.056 5.288 ( -0.345 -0.000 1.455) 1.496 5.313 ( -1.314 -0.000 1.748) 2.187 5.314 ( -0.311 -0.000 -0.911) 0.963 5.341 ( -0.818 -0.000 -1.051) 1.332 5.544 ( 0.906 0.000 0.151) 0.918 5.547 ( 0.036 0.000 -0.130) 0.134 5.829 ( -7.515 -0.000 0.221) 7.518 5.830 ( -9.886 -0.000 0.078) 9.886 5.899 ( -6.013 -0.000 1.373) 6.168 5.943 ( -2.302 -0.000 -2.721) 3.565 6.034 ( -1.368 -0.000 0.926) 1.652 6.041 ( -1.315 -0.000 0.073) 1.317 6.592 ( 8.871 0.000 0.448) 8.882 6.602 ( 8.789 0.000 -0.462) 8.801 ======================= Grid point 233 (88/98) ======================= q-point: (-0.62 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -2.392 0.021 4.637) 5.218 1.127 ( -2.418 0.157 -4.430) 5.049 1.280 ( -5.525 -1.122 4.143) 6.996 1.368 ( -4.176 -1.645 -3.259) 5.547 1.477 ( -6.058 -1.129 -1.608) 6.368 1.514 ( -4.550 -1.468 -3.734) 6.067 1.619 ( -4.719 2.578 8.076) 9.703 1.665 ( -1.768 -1.914 6.815) 7.296 1.691 ( -4.708 -0.698 3.517) 5.918 1.732 ( -2.195 -1.024 0.768) 2.541 1.866 ( -1.431 1.983 -0.437) 2.484 1.937 ( -0.817 -2.879 -5.388) 6.164 1.974 ( -3.845 0.159 1.192) 4.028 2.025 ( -2.514 0.430 -2.321) 3.449 2.127 ( 1.299 -0.175 2.644) 2.951 2.196 ( 1.004 -0.059 -1.160) 1.535 2.237 ( -0.161 -0.775 -4.745) 4.810 2.293 ( 0.059 1.310 -11.941) 12.013 2.394 ( 0.424 0.902 3.515) 3.653 2.418 ( 0.232 -2.816 0.495) 2.869 2.523 ( -5.116 0.255 1.552) 5.353 2.609 ( -1.693 0.012 -3.057) 3.495 2.677 ( -1.666 0.129 2.745) 3.213 2.754 ( -1.557 0.383 -3.050) 3.446 2.865 ( 1.003 0.004 3.940) 4.065 2.929 ( 3.356 0.421 -2.118) 3.990 2.949 ( 3.057 0.195 0.579) 3.118 2.961 ( 1.553 0.155 -0.571) 1.662 3.061 ( -2.395 0.230 5.589) 6.085 3.080 ( -3.766 0.973 1.508) 4.171 3.131 ( -5.184 1.858 -0.065) 5.507 3.167 ( -3.922 -0.265 -1.130) 4.090 3.193 ( -9.496 0.063 0.970) 9.546 3.214 ( -8.056 -0.610 -1.688) 8.253 3.332 ( -5.894 0.857 0.309) 5.963 3.342 ( -4.665 0.766 -0.127) 4.729 4.335 ( -1.620 -0.253 0.116) 1.644 4.336 ( -1.697 -0.388 -0.000) 1.740 4.448 ( -3.218 0.404 0.426) 3.271 4.455 ( -2.644 0.240 -0.287) 2.670 4.641 ( -2.789 1.299 -0.184) 3.082 4.652 ( -2.853 0.412 -1.351) 3.183 4.718 ( -2.179 -0.533 0.963) 2.441 4.723 ( -2.100 -0.403 0.327) 2.163 4.792 ( 0.255 0.363 0.718) 0.844 4.803 ( -0.018 0.412 -0.291) 0.504 5.100 ( 0.220 0.016 -0.264) 0.344 5.119 ( -0.295 -0.371 -1.771) 1.833 5.159 ( 1.861 0.592 0.682) 2.068 5.173 ( 1.198 -0.406 -0.235) 1.287 5.195 ( -0.108 -1.846 1.390) 2.314 5.209 ( -0.464 -0.552 -0.425) 0.837 5.276 ( -1.561 0.220 1.498) 2.175 5.305 ( 1.275 -0.174 0.564) 1.405 5.314 ( -0.525 -0.654 -1.178) 1.446 5.332 ( 1.156 -0.927 -1.035) 1.808 5.543 ( -0.540 0.022 0.906) 1.055 5.563 ( 0.982 0.058 -1.024) 1.420 5.650 ( -7.490 -0.050 0.118) 7.491 5.655 ( -7.779 -0.092 -0.389) 7.789 5.847 ( -1.945 -0.370 3.016) 3.608 5.915 ( -1.479 -0.161 -3.436) 3.744 6.007 ( -2.003 0.097 0.692) 2.121 6.014 ( -0.972 -0.499 0.182) 1.108 6.736 ( 6.098 -0.086 0.371) 6.110 6.744 ( 5.999 -0.061 -0.378) 6.011 ======================= Grid point 234 (89/98) ======================= q-point: (-0.54 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -2.794 0.093 4.221) 5.063 1.070 ( -3.155 0.189 -4.498) 5.497 1.190 ( -3.555 4.951 3.696) 7.128 1.301 ( -4.416 1.460 -6.581) 8.059 1.396 ( -3.054 -6.130 0.945) 6.914 1.454 ( -3.200 -5.945 -4.133) 7.916 1.511 ( -4.388 6.229 9.178) 11.929 1.599 ( -4.066 2.414 2.773) 5.482 1.658 ( -0.950 -3.759 5.701) 6.894 1.682 ( -3.439 -2.734 0.723) 4.453 1.802 ( -5.133 2.596 2.346) 6.212 1.852 ( -6.465 -0.433 -3.017) 7.147 1.932 ( -3.083 -0.559 -2.447) 3.976 1.999 ( -1.204 -6.093 -4.590) 7.723 2.153 ( 0.224 0.132 1.770) 1.789 2.201 ( -2.486 1.489 1.804) 3.414 2.216 ( -3.910 1.796 -1.333) 4.505 2.252 ( -2.007 -1.767 -2.856) 3.913 2.329 ( -5.439 0.360 -1.419) 5.633 2.403 ( -2.372 -2.440 -5.581) 6.536 2.449 ( -1.111 0.343 3.005) 3.222 2.573 ( -2.570 -0.338 -2.602) 3.672 2.641 ( -1.398 0.656 -0.262) 1.566 2.697 ( -4.151 1.117 -2.751) 5.104 2.816 ( -5.348 1.729 2.847) 6.300 2.865 ( -7.714 3.148 -1.317) 8.435 2.909 ( -7.806 5.045 0.804) 9.329 2.915 ( -7.007 5.102 -0.057) 8.668 3.000 ( -3.513 1.845 5.531) 6.807 3.023 ( -0.510 0.391 2.192) 2.284 3.054 ( 1.002 -0.096 -0.712) 1.233 3.095 ( -2.131 -2.426 -0.741) 3.312 3.116 ( -1.575 -3.280 1.050) 3.787 3.144 ( -2.896 -2.347 -2.189) 4.323 3.259 ( -0.349 -0.134 0.065) 0.379 3.265 ( -2.269 -0.077 -0.023) 2.270 4.283 ( -4.009 0.028 0.165) 4.012 4.286 ( -3.849 -0.197 -0.136) 3.856 4.364 ( -5.315 0.892 0.978) 5.477 4.384 ( -4.827 0.443 -0.884) 4.928 4.591 ( -1.956 0.283 0.020) 1.976 4.602 ( -2.284 -0.724 -0.773) 2.517 4.678 ( -1.982 -0.687 1.097) 2.367 4.691 ( -0.810 -0.022 -0.344) 0.880 4.776 ( -1.929 0.555 0.536) 2.078 4.782 ( -0.786 0.517 0.044) 0.942 5.092 ( -0.687 -0.056 -0.421) 0.808 5.106 ( -0.583 -0.113 -1.430) 1.549 5.185 ( -0.338 -0.413 1.858) 1.933 5.202 ( 1.529 1.013 2.529) 3.124 5.216 ( 0.409 -0.579 0.168) 0.729 5.254 ( 3.293 -1.688 -0.725) 3.771 5.274 ( 3.108 0.009 -0.003) 3.108 5.312 ( 1.963 -0.396 -2.870) 3.500 5.373 ( 4.214 -1.050 0.990) 4.454 5.391 ( 3.802 -0.943 -0.689) 3.977 5.523 ( -1.524 -0.100 1.866) 2.411 5.557 ( -2.696 -0.191 -0.279) 2.718 5.557 ( -2.339 0.070 -0.259) 2.354 5.575 ( -0.019 -0.120 -2.753) 2.755 5.811 ( -2.085 -0.567 3.737) 4.317 5.880 ( -2.066 -0.070 -2.871) 3.538 5.969 ( -1.733 -0.360 2.191) 2.817 6.010 ( 0.190 -0.895 -1.619) 1.860 6.827 ( 3.397 -0.212 0.268) 3.415 6.833 ( 3.279 -0.156 -0.269) 3.293 ======================= Grid point 235 (90/98) ======================= q-point: (-0.46 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -2.106 1.393 3.480) 4.299 1.009 ( -2.836 1.316 -4.376) 5.378 1.084 ( -2.996 9.932 3.099) 10.827 1.190 ( -4.272 5.346 -5.763) 8.946 1.362 ( -5.716 10.914 9.030) 15.275 1.406 ( -3.054 -6.148 -0.944) 6.929 1.434 ( -5.040 -4.783 0.417) 6.961 1.512 ( -0.323 1.597 -2.533) 3.012 1.627 ( -4.848 -2.912 2.372) 6.132 1.652 ( -1.824 2.432 3.453) 4.600 1.697 ( -2.647 -4.375 1.382) 5.297 1.761 ( -2.184 -0.161 -3.894) 4.468 1.852 ( -6.975 -2.217 0.159) 7.321 1.928 ( -11.069 -2.801 -3.197) 11.857 2.044 ( -6.309 -0.495 4.911) 8.010 2.103 ( -3.256 -2.732 -0.329) 4.263 2.177 ( -2.704 4.283 0.688) 5.112 2.246 ( -0.427 1.107 -3.938) 4.112 2.274 ( 0.273 0.187 0.230) 0.403 2.384 ( -0.906 -0.559 -6.258) 6.348 2.434 ( -0.957 1.180 3.573) 3.883 2.493 ( -5.201 0.703 0.714) 5.297 2.547 ( -7.760 7.061 -0.198) 10.493 2.601 ( -5.615 4.806 -6.092) 9.578 2.674 ( -4.822 1.849 1.451) 5.364 2.715 ( -7.235 5.174 2.246) 9.174 2.731 ( -3.427 1.007 -2.377) 4.290 2.776 ( -4.461 2.901 -3.304) 6.263 2.913 ( -4.448 2.199 6.422) 8.116 3.020 ( -3.737 -0.969 -2.474) 4.586 3.033 ( -1.312 -2.241 1.254) 2.884 3.072 ( -2.882 -6.085 -0.808) 6.781 3.108 ( 0.355 -2.530 2.169) 3.352 3.116 ( -1.015 -2.530 1.451) 3.088 3.265 ( 1.488 -2.279 1.652) 3.184 3.311 ( 3.278 -0.952 -2.624) 4.305 4.185 ( -5.568 0.972 0.364) 5.664 4.193 ( -5.422 0.938 -0.304) 5.511 4.237 ( -7.354 0.538 1.245) 7.478 4.265 ( -7.563 -0.669 -1.379) 7.717 4.552 ( -2.390 -1.066 0.800) 2.737 4.572 ( -1.311 -0.604 -0.829) 1.664 4.661 ( -0.139 -0.627 1.882) 1.989 4.706 ( 1.940 0.474 -1.867) 2.734 4.744 ( -0.846 0.184 0.831) 1.200 4.770 ( 0.042 0.036 -0.729) 0.731 5.086 ( 0.090 -0.179 0.085) 0.217 5.106 ( 0.488 -0.049 -1.479) 1.558 5.179 ( -0.094 -0.798 2.858) 2.968 5.198 ( -0.611 -1.542 3.696) 4.051 5.251 ( 2.490 0.880 -0.964) 2.811 5.309 ( 2.362 0.677 -3.164) 4.006 5.351 ( 3.272 -0.314 1.102) 3.467 5.381 ( 3.971 0.210 -1.767) 4.351 5.446 ( 2.054 0.133 0.825) 2.218 5.455 ( 1.981 0.123 -0.273) 2.004 5.500 ( -0.570 -0.167 2.073) 2.157 5.529 ( -0.983 -0.245 0.424) 1.098 5.547 ( 0.456 -0.803 -0.961) 1.333 5.569 ( 0.284 0.332 -4.491) 4.512 5.779 ( -1.098 0.126 3.967) 4.118 5.852 ( -0.263 0.662 -3.034) 3.116 5.959 ( 0.537 -0.924 4.262) 4.394 6.031 ( 1.376 -1.437 -2.596) 3.271 6.872 ( 1.249 -0.330 0.152) 1.300 6.875 ( 1.157 -0.218 -0.149) 1.187 ======================= Grid point 236 (91/98) ======================= q-point: (-0.38 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -0.568 5.365 2.413) 5.910 0.951 ( -1.581 3.869 -3.275) 5.310 0.982 ( -2.362 9.320 4.582) 10.651 1.095 ( -2.558 6.221 -5.013) 8.389 1.167 ( -6.932 9.931 3.824) 12.701 1.253 ( -7.370 4.375 -2.459) 8.916 1.429 ( -0.082 2.346 5.740) 6.201 1.519 ( -0.423 -0.576 -1.244) 1.435 1.598 ( 0.240 -3.989 -0.392) 4.015 1.614 ( -3.464 0.742 -1.621) 3.896 1.649 ( -1.705 -1.746 2.654) 3.605 1.699 ( -6.586 1.258 1.252) 6.821 1.730 ( -6.579 -0.243 -0.117) 6.585 1.775 ( -1.189 2.785 -1.305) 3.297 1.959 ( -3.405 2.714 3.992) 5.907 2.044 ( -3.802 0.785 -0.616) 3.931 2.073 ( -4.140 -0.124 0.774) 4.214 2.203 ( -1.678 8.265 -10.996) 13.858 2.304 ( 1.813 1.165 4.518) 5.006 2.359 ( -1.894 2.338 0.044) 3.009 2.371 ( -2.729 1.609 -0.445) 3.199 2.404 ( -3.108 3.488 -4.579) 6.541 2.411 ( -1.980 0.341 2.942) 3.563 2.473 ( -3.487 1.392 -1.233) 3.952 2.563 ( -5.078 5.367 3.507) 8.179 2.618 ( -1.840 1.212 1.667) 2.763 2.689 ( -2.091 2.337 -5.824) 6.615 2.726 ( -0.630 -2.445 -5.159) 5.744 2.832 ( -2.543 0.075 6.963) 7.413 2.950 ( -2.733 -1.362 -4.433) 5.383 3.032 ( -1.595 -6.798 2.362) 7.371 3.068 ( -1.233 -7.520 -1.141) 7.706 3.112 ( 0.041 -2.021 4.420) 4.861 3.151 ( 1.767 -0.426 1.112) 2.131 3.314 ( 1.454 -3.754 1.717) 4.376 3.369 ( 1.926 -1.372 -3.239) 4.011 4.078 ( -4.629 1.447 0.366) 4.864 4.084 ( -5.047 1.320 -0.190) 5.221 4.098 ( -5.680 0.845 0.659) 5.780 4.116 ( -7.363 -0.231 -1.032) 7.439 4.520 ( -1.390 -1.142 1.580) 2.394 4.557 ( -0.660 -0.789 -1.708) 1.994 4.667 ( 0.270 0.157 2.843) 2.860 4.724 ( 0.515 0.604 1.851) 2.014 4.735 ( -0.182 1.204 -1.011) 1.583 4.802 ( 2.244 -1.231 -5.020) 5.635 5.098 ( 0.853 -0.521 0.408) 1.080 5.122 ( 0.840 -0.505 -1.647) 1.917 5.195 ( 0.647 -1.663 2.544) 3.107 5.211 ( 1.362 -2.273 4.115) 4.895 5.291 ( 2.021 0.731 -0.394) 2.185 5.329 ( -0.080 0.098 -1.798) 1.803 5.386 ( 0.103 -0.758 2.703) 2.809 5.435 ( 1.745 0.751 -0.956) 2.127 5.450 ( -0.226 1.155 0.904) 1.484 5.467 ( -0.227 0.304 -1.234) 1.291 5.480 ( -2.051 0.230 0.107) 2.067 5.510 ( -0.474 0.024 -1.337) 1.419 5.567 ( 1.271 -0.017 -0.672) 1.438 5.599 ( 2.213 1.771 -3.261) 4.321 5.769 ( 0.250 1.413 4.208) 4.446 5.860 ( 1.277 2.086 -4.081) 4.758 5.991 ( 1.771 -1.212 5.617) 6.013 6.073 ( 1.730 -2.040 -2.321) 3.542 6.883 ( -0.041 -0.235 0.084) 0.253 6.885 ( -0.016 -0.118 -0.088) 0.147 ======================= Grid point 237 (92/98) ======================= q-point: (-0.31 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 0.000 9.526 2.821) 9.935 0.886 ( 0.000 11.803 5.781) 13.143 0.918 ( 0.000 3.778 -1.899) 4.228 1.023 ( 0.000 8.454 -7.061) 11.014 1.051 ( 0.000 6.561 2.924) 7.183 1.158 ( 0.000 4.349 -3.708) 5.715 1.407 ( 0.000 3.647 5.124) 6.289 1.505 ( 0.000 1.456 -4.491) 4.721 1.543 ( 0.000 7.603 4.574) 8.873 1.610 ( 0.000 10.201 5.788) 11.729 1.634 ( 0.000 0.067 1.685) 1.687 1.656 ( 0.000 0.633 -0.581) 0.860 1.667 ( -0.000 -1.945 -0.473) 2.001 1.681 ( 0.000 1.976 3.700) 4.195 1.933 ( -0.000 -1.744 -3.371) 3.795 2.022 ( -0.000 -1.097 0.393) 1.165 2.032 ( -0.000 -2.124 -0.531) 2.190 2.098 ( 0.000 15.490 -14.908) 21.498 2.323 ( -0.000 -1.292 0.734) 1.486 2.328 ( 0.000 2.266 5.861) 6.284 2.339 ( -0.000 -0.938 -0.714) 1.179 2.399 ( -0.000 -0.311 0.376) 0.488 2.406 ( -0.000 -0.868 -0.329) 0.929 2.411 ( 0.000 3.939 -0.960) 4.054 2.473 ( 0.000 5.791 3.323) 6.677 2.591 ( 0.000 1.598 -2.742) 3.174 2.660 ( 0.000 0.744 -1.195) 1.408 2.729 ( -0.000 -0.479 -2.868) 2.907 2.820 ( -0.000 -2.957 5.090) 5.886 2.935 ( -0.000 -1.532 -4.546) 4.797 3.053 ( -0.000 -5.625 3.144) 6.444 3.098 ( -0.000 -6.934 -0.542) 6.956 3.127 ( -0.000 -4.108 3.180) 5.195 3.171 ( 0.000 0.023 0.148) 0.150 3.351 ( -0.000 -4.301 1.421) 4.529 3.397 ( -0.000 -2.163 -2.738) 3.490 4.010 ( 0.000 1.446 0.057) 1.448 4.012 ( 0.000 1.557 -0.207) 1.571 4.034 ( 0.000 1.602 0.605) 1.713 4.045 ( 0.000 1.553 -0.454) 1.618 4.513 ( -0.000 -1.289 1.943) 2.332 4.555 ( -0.000 -0.939 -1.873) 2.095 4.667 ( 0.000 0.468 2.547) 2.590 4.722 ( 0.000 2.201 -1.611) 2.727 4.731 ( -0.000 -0.527 3.613) 3.651 4.833 ( -0.000 -1.055 -7.057) 7.136 5.113 ( -0.000 -0.952 0.311) 1.002 5.135 ( -0.000 -0.796 -1.386) 1.598 5.211 ( -0.000 -1.851 3.241) 3.733 5.257 ( -0.000 -3.551 0.354) 3.569 5.319 ( -0.000 -0.534 0.247) 0.588 5.324 ( -0.000 -0.513 -0.258) 0.574 5.372 ( -0.000 -0.649 6.143) 6.177 5.441 ( 0.000 1.791 0.659) 1.908 5.443 ( 0.000 0.664 0.154) 0.681 5.446 ( 0.000 0.707 -0.143) 0.721 5.463 ( 0.000 0.931 -1.769) 2.000 5.507 ( 0.000 0.815 -3.088) 3.194 5.579 ( 0.000 0.564 -0.706) 0.904 5.610 ( 0.000 2.722 -2.725) 3.852 5.764 ( 0.000 1.951 3.881) 4.344 5.860 ( 0.000 3.029 -4.641) 5.542 6.020 ( -0.000 -1.758 6.474) 6.709 6.105 ( -0.000 -2.693 -1.989) 3.348 6.881 ( 0.000 0.009 0.106) 0.106 6.884 ( 0.000 0.040 -0.106) 0.114 ======================= Grid point 246 (93/98) ======================= q-point: (-0.62 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -2.657 -0.000 4.251) 5.013 1.071 ( -3.082 -0.000 -4.560) 5.504 1.230 ( 0.095 0.000 2.494) 2.496 1.307 ( -1.672 -0.000 -3.792) 4.144 1.354 ( -6.252 -0.000 -0.359) 6.262 1.417 ( -4.870 -0.000 -5.182) 7.112 1.571 ( -1.414 -0.000 9.379) 9.485 1.610 ( -3.297 -0.000 6.279) 7.092 1.617 ( -2.303 -0.000 6.291) 6.699 1.664 ( -4.372 -0.000 0.727) 4.432 1.836 ( -2.837 -0.000 -2.296) 3.649 1.840 ( -8.961 -0.000 0.358) 8.968 1.929 ( -0.536 -0.000 -5.886) 5.910 1.959 ( -4.215 -0.000 -3.892) 5.737 2.154 ( 0.240 0.000 1.932) 1.947 2.210 ( -2.828 -0.000 1.350) 3.134 2.233 ( -0.024 -0.000 0.980) 0.980 2.235 ( -4.918 -0.000 -4.057) 6.375 2.332 ( -6.388 -0.000 -2.220) 6.762 2.388 ( -1.050 -0.000 -4.022) 4.157 2.451 ( -1.151 -0.000 1.796) 2.133 2.572 ( -2.482 -0.000 -2.864) 3.790 2.644 ( -1.299 -0.000 -0.059) 1.300 2.702 ( -3.742 -0.000 -2.845) 4.701 2.825 ( -4.782 -0.000 3.557) 5.959 2.882 ( -7.343 -0.000 -0.948) 7.404 2.939 ( -5.786 -0.000 0.711) 5.830 2.948 ( -5.656 -0.000 -0.440) 5.673 3.014 ( -3.392 -0.000 4.262) 5.447 3.026 ( -4.554 -0.000 2.769) 5.330 3.057 ( -0.511 -0.000 0.494) 0.711 3.072 ( -1.038 -0.000 -0.839) 1.335 3.090 ( -1.598 -0.000 1.175) 1.984 3.134 ( -2.933 -0.000 -3.071) 4.247 3.258 ( -0.412 -0.000 0.037) 0.414 3.265 ( -3.124 -0.000 -0.074) 3.125 4.283 ( -3.837 -0.000 0.095) 3.838 4.285 ( -3.645 -0.000 -0.082) 3.646 4.369 ( -5.360 -0.000 0.913) 5.437 4.387 ( -4.972 -0.000 -0.724) 5.024 4.594 ( -2.965 -0.000 -0.428) 2.996 4.597 ( -1.907 -0.000 -0.543) 1.983 4.674 ( -1.968 -0.000 1.414) 2.423 4.691 ( -0.729 -0.000 -0.426) 0.845 4.779 ( -2.101 -0.000 0.539) 2.169 4.785 ( -0.829 -0.000 0.016) 0.829 5.092 ( -0.755 -0.000 -0.567) 0.944 5.106 ( -0.434 -0.000 -1.597) 1.655 5.182 ( -0.250 -0.000 2.520) 2.533 5.204 ( -0.672 -0.000 3.231) 3.300 5.219 ( 1.840 0.000 -0.802) 2.007 5.242 ( 4.677 0.000 -0.483) 4.702 5.275 ( 3.082 0.000 -0.312) 3.098 5.310 ( 1.980 0.000 -3.021) 3.611 5.367 ( 4.505 0.000 1.068) 4.630 5.385 ( 4.098 0.000 -0.714) 4.160 5.522 ( -1.556 -0.000 1.950) 2.494 5.556 ( -2.762 -0.000 -0.251) 2.773 5.558 ( -2.389 -0.000 -0.224) 2.400 5.574 ( -0.000 -0.000 -2.962) 2.962 5.807 ( -1.979 -0.000 3.943) 4.412 5.879 ( -1.973 -0.000 -2.921) 3.525 5.967 ( -1.826 -0.000 1.993) 2.703 6.005 ( 0.172 0.000 -1.497) 1.507 6.826 ( 3.387 0.000 0.282) 3.398 6.832 ( 3.273 0.000 -0.282) 3.285 ======================= Grid point 248 (94/98) ======================= q-point: (-0.54 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -1.714 0.355 4.065) 4.426 1.019 ( -2.148 0.521 -4.232) 4.774 1.197 ( -2.157 10.375 0.838) 10.630 1.250 ( -2.817 4.799 -2.423) 6.069 1.321 ( -0.149 -7.984 -1.533) 8.131 1.360 ( -2.841 -6.832 -3.875) 8.353 1.475 ( -5.622 8.993 7.379) 12.920 1.545 ( -5.083 1.383 0.493) 5.291 1.594 ( -0.766 -1.464 5.367) 5.615 1.636 ( 0.167 -6.344 5.386) 8.323 1.677 ( -5.152 1.324 3.978) 6.643 1.769 ( -3.024 1.133 -4.730) 5.727 1.847 ( -6.583 1.622 -4.482) 8.128 1.885 ( -7.989 -4.524 -5.572) 10.740 2.040 ( -7.679 -0.195 4.785) 9.050 2.082 ( -4.735 -0.971 0.897) 4.916 2.210 ( -1.797 1.692 -0.336) 2.491 2.253 ( 0.909 0.197 -1.000) 1.365 2.274 ( 0.543 -0.096 -0.532) 0.767 2.377 ( -0.466 -0.417 -3.678) 3.731 2.446 ( 0.216 0.754 0.432) 0.896 2.496 ( -4.867 0.043 1.333) 5.046 2.605 ( -6.235 3.166 -1.125) 7.083 2.632 ( -1.744 0.860 -5.849) 6.164 2.695 ( -7.475 1.590 0.700) 7.674 2.725 ( -6.973 -0.305 -1.207) 7.083 2.784 ( -6.648 5.203 1.112) 8.515 2.812 ( -5.510 2.556 -1.876) 6.357 2.926 ( -5.796 -0.501 4.762) 7.518 2.979 ( -4.146 -3.392 1.988) 5.714 3.013 ( -3.804 -2.301 -0.701) 4.500 3.026 ( -3.473 -1.471 -2.358) 4.448 3.084 ( -1.058 -1.165 2.293) 2.781 3.110 ( 2.244 0.072 1.144) 2.519 3.247 ( 0.720 -0.967 2.382) 2.669 3.305 ( 3.395 -0.244 -3.055) 4.574 4.192 ( -5.303 0.296 0.321) 5.321 4.199 ( -5.060 0.256 -0.301) 5.075 4.241 ( -7.602 0.268 0.965) 7.668 4.261 ( -7.874 -0.123 -0.843) 7.920 4.543 ( -2.367 -0.411 0.769) 2.522 4.567 ( -1.356 -0.257 -1.269) 1.874 4.656 ( 0.131 -0.237 2.459) 2.473 4.710 ( 2.380 0.132 -2.139) 3.203 4.746 ( -0.955 0.040 0.969) 1.361 4.771 ( -0.438 0.121 -0.750) 0.877 5.084 ( 0.046 -0.071 0.058) 0.103 5.105 ( 0.360 -0.030 -1.699) 1.737 5.174 ( -0.318 -0.221 2.464) 2.494 5.184 ( -0.811 -0.791 3.472) 3.652 5.259 ( 2.426 0.460 -0.099) 2.471 5.314 ( 2.614 0.285 -2.866) 3.890 5.348 ( 3.194 -0.124 1.011) 3.352 5.382 ( 4.269 0.078 -2.261) 4.832 5.447 ( 2.781 0.085 0.855) 2.911 5.457 ( 2.352 0.093 -0.209) 2.363 5.499 ( -0.403 -0.091 2.327) 2.364 5.527 ( -1.455 -0.080 0.053) 1.459 5.540 ( 0.304 -0.355 -0.810) 0.935 5.572 ( 0.866 0.114 -4.602) 4.684 5.780 ( -0.599 0.047 4.308) 4.350 5.857 ( 0.135 0.228 -3.104) 3.115 5.953 ( 0.489 -0.288 3.949) 3.989 6.021 ( 1.332 -0.491 -2.479) 2.857 6.870 ( 1.272 -0.109 0.188) 1.291 6.874 ( 1.184 -0.074 -0.184) 1.201 ======================= Grid point 249 (95/98) ======================= q-point: (-0.46 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -0.509 1.000 4.023) 4.176 0.984 ( -0.856 2.048 -3.355) 4.022 1.085 ( -3.965 8.094 2.988) 9.496 1.164 ( -2.866 6.201 -3.618) 7.730 1.265 ( -5.745 7.962 0.706) 9.844 1.295 ( -3.787 3.409 -1.067) 5.206 1.421 ( 1.763 -4.274 3.169) 5.605 1.509 ( -0.936 -2.065 -2.049) 3.056 1.545 ( -1.620 -2.135 1.889) 3.279 1.614 ( -6.426 -1.497 -1.988) 6.891 1.651 ( 1.044 1.111 5.823) 6.019 1.696 ( -5.472 -0.167 0.308) 5.483 1.727 ( -5.125 -0.403 -1.864) 5.468 1.797 ( 2.323 1.063 -4.744) 5.388 1.964 ( -0.980 -1.066 5.132) 5.333 2.027 ( -3.071 -2.329 -0.963) 3.972 2.126 ( -4.777 6.527 3.398) 8.774 2.256 ( 1.422 2.210 -6.082) 6.626 2.313 ( 1.879 0.616 4.828) 5.217 2.377 ( 0.317 0.492 -0.732) 0.938 2.391 ( -3.708 2.271 1.303) 4.539 2.431 ( -4.160 2.274 1.121) 4.872 2.460 ( -4.071 5.417 -4.597) 8.188 2.486 ( -5.635 2.196 -1.581) 6.251 2.606 ( -4.075 1.450 1.067) 4.455 2.641 ( -3.355 3.532 1.057) 4.984 2.691 ( -1.012 -2.512 -4.423) 5.186 2.720 ( -2.686 2.994 -5.508) 6.820 2.831 ( -4.040 -1.541 4.475) 6.223 2.907 ( -4.055 -5.901 -1.867) 7.399 2.973 ( -2.170 -2.920 -0.146) 3.641 2.987 ( -2.062 -6.244 -2.020) 6.879 3.100 ( 1.155 -0.981 5.899) 6.091 3.152 ( 2.035 0.585 1.566) 2.634 3.278 ( 1.104 -2.641 3.115) 4.231 3.360 ( 1.978 -0.364 -4.256) 4.707 4.091 ( -4.864 0.953 0.347) 4.969 4.095 ( -5.514 0.649 0.069) 5.552 4.106 ( -5.045 0.646 0.156) 5.088 4.115 ( -6.163 -0.166 -0.534) 6.189 4.511 ( -1.275 -0.604 1.448) 2.022 4.550 ( -0.646 -0.479 -2.146) 2.292 4.669 ( 0.689 0.135 3.880) 3.943 4.725 ( -0.107 -0.024 2.969) 2.971 4.754 ( 0.493 1.811 -2.432) 3.072 4.789 ( 2.350 -1.175 -5.066) 5.707 5.093 ( 0.658 -0.299 0.445) 0.849 5.117 ( 0.645 -0.333 -1.633) 1.787 5.179 ( 0.334 -1.155 2.145) 2.459 5.190 ( 0.884 -1.534 3.376) 3.812 5.298 ( 1.658 0.510 0.380) 1.776 5.330 ( -0.597 0.092 -1.305) 1.439 5.378 ( -0.244 -0.596 2.846) 2.918 5.441 ( 1.760 0.337 -1.646) 2.433 5.461 ( -0.268 0.789 0.349) 0.903 5.469 ( -0.172 0.103 -1.046) 1.065 5.483 ( -1.907 0.311 0.394) 1.971 5.512 ( 0.728 0.152 -1.420) 1.603 5.566 ( 1.696 -0.059 -0.072) 1.699 5.613 ( 2.590 0.898 -4.017) 4.863 5.782 ( 0.640 0.880 4.674) 4.799 5.877 ( 1.697 1.145 -4.194) 4.667 5.982 ( 1.875 -0.515 5.049) 5.411 6.057 ( 1.713 -1.010 -2.116) 2.904 6.882 ( 0.100 -0.106 0.127) 0.193 6.884 ( 0.081 -0.055 -0.125) 0.159 ======================= Grid point 250 (96/98) ======================= q-point: (-0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 0.000 1.917 3.681) 4.150 0.963 ( 0.000 3.740 -2.175) 4.326 0.991 ( 0.000 7.551 4.558) 8.820 1.099 ( 0.000 5.595 -5.560) 7.888 1.152 ( 0.000 11.652 2.244) 11.866 1.225 ( 0.000 8.045 -2.042) 8.301 1.441 ( 0.000 2.635 3.991) 4.782 1.518 ( 0.000 1.040 -3.497) 3.649 1.521 ( -0.000 -8.451 0.292) 8.456 1.594 ( -0.000 -7.096 -4.364) 8.331 1.639 ( 0.000 0.706 1.829) 1.960 1.653 ( 0.000 2.170 7.030) 7.357 1.669 ( 0.000 1.494 -1.084) 1.846 1.808 ( 0.000 7.382 -4.804) 8.807 1.973 ( 0.000 11.274 10.304) 15.273 2.003 ( -0.000 -2.117 0.106) 2.120 2.007 ( -0.000 -2.299 -0.176) 2.305 2.262 ( 0.000 13.607 -13.215) 18.968 2.312 ( -0.000 -0.822 0.952) 1.258 2.332 ( -0.000 -0.376 -0.913) 0.987 2.351 ( 0.000 2.326 5.896) 6.338 2.396 ( -0.000 -0.202 0.137) 0.244 2.399 ( -0.000 -0.552 -0.121) 0.565 2.450 ( 0.000 2.874 -0.567) 2.929 2.535 ( 0.000 5.116 2.446) 5.671 2.598 ( 0.000 0.300 1.059) 1.100 2.674 ( 0.000 1.455 -6.753) 6.908 2.707 ( -0.000 -2.909 -4.871) 5.674 2.801 ( -0.000 -1.226 5.942) 6.068 2.903 ( -0.000 -5.395 -3.644) 6.510 2.975 ( -0.000 -5.803 1.172) 5.920 3.009 ( -0.000 -8.559 -2.782) 9.000 3.117 ( -0.000 -0.212 6.458) 6.462 3.171 ( 0.000 0.318 1.717) 1.746 3.307 ( -0.000 -3.689 2.502) 4.457 3.382 ( -0.000 -0.742 -4.164) 4.230 4.023 ( 0.000 1.003 0.102) 1.009 4.027 ( 0.000 1.083 -0.262) 1.114 4.049 ( 0.000 1.165 0.592) 1.306 4.060 ( 0.000 1.135 -0.431) 1.214 4.502 ( -0.000 -0.766 1.758) 1.918 4.547 ( -0.000 -0.625 -2.384) 2.464 4.673 ( 0.000 0.596 3.918) 3.963 4.726 ( -0.000 -0.378 3.398) 3.419 4.746 ( 0.000 2.214 -1.758) 2.827 4.822 ( -0.000 -0.927 -7.157) 7.217 5.104 ( -0.000 -0.656 0.455) 0.799 5.127 ( -0.000 -0.606 -1.390) 1.517 5.191 ( -0.000 -1.696 2.620) 3.121 5.221 ( -0.000 -2.910 1.369) 3.216 5.314 ( -0.000 -0.366 0.256) 0.447 5.320 ( -0.000 -0.347 -0.269) 0.439 5.367 ( -0.000 -0.390 5.571) 5.584 5.449 ( 0.000 0.445 0.172) 0.477 5.453 ( 0.000 0.473 -0.160) 0.500 5.458 ( 0.000 1.308 0.651) 1.461 5.470 ( 0.000 0.292 -2.121) 2.141 5.518 ( 0.000 1.150 -3.504) 3.687 5.584 ( 0.000 0.341 0.013) 0.341 5.633 ( 0.000 1.682 -3.883) 4.232 5.783 ( 0.000 1.508 4.734) 4.969 5.888 ( 0.000 2.004 -4.828) 5.227 6.007 ( -0.000 -0.711 5.584) 5.629 6.083 ( -0.000 -1.520 -1.759) 2.325 6.881 ( 0.000 0.007 0.119) 0.119 6.884 ( 0.000 0.028 -0.119) 0.122 ======================= Grid point 261 (97/98) ======================= q-point: (-0.54 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -0.546 -0.000 4.503) 4.536 0.994 ( -0.682 -0.000 -3.439) 3.506 1.131 ( -6.272 -0.000 3.158) 7.022 1.205 ( -4.911 -0.000 -3.617) 6.099 1.310 ( 0.750 0.000 -0.437) 0.868 1.335 ( 1.820 0.000 -3.989) 4.384 1.371 ( -3.836 -0.000 5.479) 6.688 1.478 ( -1.475 -0.000 -3.999) 4.262 1.558 ( -5.773 -0.000 3.713) 6.864 1.594 ( -3.634 -0.000 1.839) 4.073 1.658 ( 1.761 0.000 5.512) 5.787 1.699 ( -6.777 -0.000 -1.097) 6.866 1.723 ( -3.073 -0.000 -2.906) 4.229 1.802 ( 2.792 0.000 -5.424) 6.100 1.956 ( -0.808 -0.000 4.859) 4.926 2.013 ( -2.797 -0.000 -0.695) 2.882 2.165 ( -2.670 -0.000 2.896) 3.939 2.266 ( 1.660 0.000 -4.306) 4.615 2.317 ( 2.075 0.000 5.057) 5.467 2.378 ( 0.781 0.000 -0.523) 0.940 2.410 ( -3.297 -0.000 3.178) 4.579 2.445 ( -6.129 -0.000 -0.182) 6.132 2.473 ( -2.695 -0.000 0.500) 2.741 2.527 ( -6.961 -0.000 -6.854) 9.769 2.607 ( -4.807 -0.000 0.663) 4.852 2.643 ( -1.355 -0.000 -3.883) 4.112 2.714 ( -2.922 -0.000 -0.669) 2.997 2.732 ( -3.326 -0.000 -3.569) 4.879 2.806 ( -4.113 -0.000 2.282) 4.703 2.868 ( -5.175 -0.000 -2.627) 5.804 2.954 ( -1.761 -0.000 -0.708) 1.898 2.959 ( -2.479 -0.000 -0.566) 2.542 3.094 ( 1.374 0.000 6.386) 6.532 3.157 ( 2.153 0.000 0.804) 2.298 3.263 ( 0.941 0.000 4.219) 4.323 3.359 ( 2.007 0.000 -4.611) 5.029 4.097 ( -4.495 -0.000 0.306) 4.506 4.098 ( -6.123 -0.000 0.275) 6.129 4.111 ( -4.185 -0.000 -0.231) 4.192 4.112 ( -6.395 -0.000 -0.257) 6.400 4.507 ( -1.223 -0.000 1.388) 1.849 4.547 ( -0.629 -0.000 -2.294) 2.379 4.669 ( 0.860 0.000 4.249) 4.335 4.725 ( -0.249 -0.000 2.892) 2.903 4.767 ( 0.016 0.000 -1.074) 1.074 4.779 ( 3.051 0.000 -6.452) 7.137 5.091 ( 0.601 0.000 0.450) 0.751 5.115 ( 0.583 0.000 -1.605) 1.708 5.173 ( 0.209 0.000 1.993) 2.004 5.181 ( 0.732 0.000 3.191) 3.274 5.301 ( 1.460 0.000 0.569) 1.567 5.330 ( -0.782 -0.000 -1.113) 1.361 5.375 ( -0.336 -0.000 2.869) 2.888 5.443 ( 1.777 0.000 -1.980) 2.661 5.465 ( -0.458 -0.000 0.072) 0.464 5.469 ( -0.193 -0.000 -0.902) 0.922 5.485 ( -1.836 -0.000 0.546) 1.915 5.513 ( 1.303 0.000 -1.408) 1.918 5.566 ( 1.862 0.000 0.139) 1.867 5.618 ( 2.720 0.000 -4.224) 5.024 5.787 ( 0.781 0.000 4.792) 4.856 5.883 ( 1.838 0.000 -4.240) 4.621 5.980 ( 1.931 0.000 4.870) 5.238 6.051 ( 1.721 0.000 -2.028) 2.660 6.881 ( 0.146 0.000 0.140) 0.202 6.884 ( 0.114 0.000 -0.137) 0.178 ======================= Grid point 263 (98/98) ======================= q-point: (-0.46 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 8.27e-07 8.27e-07 8.27e-07 8.27e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 0.000 0.340 4.682) 4.695 0.988 ( 0.000 1.094 -2.986) 3.180 1.045 ( 0.000 2.560 3.984) 4.736 1.140 ( 0.000 1.932 -4.820) 5.193 1.281 ( 0.000 11.326 1.857) 11.477 1.317 ( 0.000 7.746 0.581) 7.768 1.415 ( -0.000 -10.557 -0.086) 10.557 1.460 ( 0.000 0.925 3.381) 3.505 1.506 ( -0.000 -7.310 -4.907) 8.804 1.527 ( 0.000 0.456 -3.025) 3.060 1.646 ( 0.000 0.483 2.071) 2.127 1.676 ( 0.000 1.232 5.634) 5.767 1.683 ( 0.000 0.838 -1.434) 1.661 1.837 ( 0.000 0.501 -8.654) 8.668 1.984 ( -0.000 -1.024 0.070) 1.026 1.987 ( -0.000 -1.185 -0.134) 1.192 2.110 ( 0.000 9.623 12.882) 16.079 2.306 ( -0.000 -0.277 1.136) 1.170 2.324 ( -0.000 -0.697 5.372) 5.418 2.330 ( -0.000 -0.071 -1.075) 1.078 2.394 ( -0.000 -0.068 0.018) 0.071 2.395 ( -0.000 -0.188 -0.006) 0.188 2.419 ( 0.000 7.835 -9.735) 12.497 2.468 ( 0.000 0.604 0.563) 0.826 2.557 ( -0.000 -1.227 2.069) 2.406 2.613 ( 0.000 1.203 -1.472) 1.901 2.676 ( 0.000 1.936 -4.124) 4.556 2.704 ( 0.000 0.233 -5.753) 5.757 2.777 ( -0.000 -2.558 2.001) 3.248 2.834 ( -0.000 -5.597 -2.708) 6.218 2.938 ( -0.000 -1.664 0.058) 1.665 2.945 ( -0.000 -2.617 -1.547) 3.040 3.111 ( -0.000 -0.480 7.030) 7.046 3.178 ( 0.000 0.651 1.165) 1.335 3.277 ( -0.000 -1.657 4.262) 4.573 3.378 ( -0.000 -0.113 -4.962) 4.963 4.031 ( 0.000 0.358 0.126) 0.380 4.035 ( 0.000 0.386 -0.294) 0.485 4.058 ( 0.000 0.425 0.587) 0.725 4.068 ( 0.000 0.417 -0.419) 0.591 4.496 ( -0.000 -0.253 1.622) 1.642 4.542 ( -0.000 -0.232 -2.647) 2.657 4.678 ( 0.000 0.256 4.810) 4.817 4.723 ( -0.000 -0.127 3.041) 3.044 4.765 ( 0.000 1.085 -1.203) 1.619 4.814 ( -0.000 -0.498 -7.682) 7.698 5.100 ( -0.000 -0.213 0.518) 0.560 5.122 ( -0.000 -0.230 -1.304) 1.324 5.178 ( -0.000 -0.669 2.094) 2.198 5.198 ( -0.000 -1.136 1.786) 2.117 5.311 ( -0.000 -0.130 0.263) 0.293 5.317 ( -0.000 -0.123 -0.276) 0.302 5.364 ( -0.000 -0.158 5.396) 5.398 5.452 ( 0.000 0.156 0.182) 0.240 5.456 ( 0.000 0.166 -0.169) 0.237 5.468 ( 0.000 0.531 0.379) 0.652 5.471 ( -0.000 -0.046 -2.091) 2.091 5.528 ( 0.000 0.509 -3.784) 3.818 5.586 ( 0.000 0.129 0.522) 0.538 5.645 ( 0.000 0.565 -4.322) 4.358 5.794 ( 0.000 0.569 5.069) 5.101 5.902 ( 0.000 0.698 -4.920) 4.969 6.003 ( -0.000 -0.179 5.154) 5.157 6.072 ( -0.000 -0.484 -1.561) 1.635 6.881 ( 0.000 0.003 0.126) 0.126 6.884 ( 0.000 0.010 -0.126) 0.126 =================== 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 3/33462 10.0 137.892 169.058 37.864 0.000 0.000 0.000 3/33462 20.0 20.689 21.572 6.261 0.000 0.000 0.000 3/33462 30.0 9.471 9.136 3.120 0.000 0.000 0.000 3/33462 40.0 6.043 5.574 2.079 0.000 0.000 0.000 3/33462 50.0 4.434 3.972 1.562 0.000 0.000 0.000 3/33462 60.0 3.511 3.077 1.254 0.000 0.000 0.000 3/33462 70.0 2.916 2.511 1.049 0.000 0.000 0.000 3/33462 80.0 2.501 2.122 0.904 0.000 0.000 0.000 3/33462 90.0 2.195 1.839 0.795 0.000 0.000 0.000 3/33462 100.0 1.959 1.625 0.710 0.000 0.000 0.000 3/33462 110.0 1.771 1.456 0.643 0.000 0.000 0.000 3/33462 120.0 1.618 1.320 0.587 0.000 0.000 0.000 3/33462 130.0 1.489 1.207 0.540 0.000 0.000 0.000 3/33462 140.0 1.381 1.113 0.501 0.000 0.000 0.000 3/33462 150.0 1.287 1.033 0.467 0.000 0.000 0.000 3/33462 160.0 1.206 0.964 0.437 0.000 0.000 0.000 3/33462 170.0 1.135 0.904 0.411 0.000 0.000 0.000 3/33462 180.0 1.071 0.851 0.388 0.000 0.000 0.000 3/33462 190.0 1.015 0.804 0.367 0.000 0.000 0.000 3/33462 200.0 0.964 0.762 0.349 0.000 0.000 0.000 3/33462 210.0 0.918 0.724 0.332 0.000 0.000 0.000 3/33462 220.0 0.877 0.690 0.317 0.000 0.000 0.000 3/33462 230.0 0.839 0.659 0.303 0.000 0.000 0.000 3/33462 240.0 0.804 0.630 0.290 0.000 0.000 0.000 3/33462 250.0 0.772 0.604 0.279 0.000 0.000 0.000 3/33462 260.0 0.743 0.581 0.268 0.000 0.000 0.000 3/33462 270.0 0.715 0.559 0.258 0.000 0.000 0.000 3/33462 280.0 0.690 0.538 0.249 0.000 0.000 0.000 3/33462 290.0 0.666 0.519 0.240 0.000 0.000 0.000 3/33462 300.0 0.644 0.502 0.232 0.000 0.000 0.000 3/33462 310.0 0.624 0.485 0.225 0.000 0.000 0.000 3/33462 320.0 0.604 0.470 0.218 0.000 0.000 0.000 3/33462 330.0 0.586 0.455 0.211 0.000 0.000 0.000 3/33462 340.0 0.569 0.442 0.205 0.000 0.000 0.000 3/33462 350.0 0.553 0.429 0.199 0.000 0.000 0.000 3/33462 360.0 0.538 0.417 0.194 0.000 0.000 0.000 3/33462 370.0 0.523 0.405 0.188 0.000 0.000 0.000 3/33462 380.0 0.509 0.395 0.183 0.000 0.000 0.000 3/33462 390.0 0.496 0.384 0.179 0.000 0.000 0.000 3/33462 400.0 0.484 0.375 0.174 0.000 0.000 0.000 3/33462 410.0 0.472 0.365 0.170 0.000 0.000 0.000 3/33462 420.0 0.461 0.357 0.166 0.000 0.000 0.000 3/33462 430.0 0.451 0.348 0.162 0.000 0.000 0.000 3/33462 440.0 0.440 0.340 0.159 0.000 0.000 0.000 3/33462 450.0 0.431 0.333 0.155 0.000 0.000 0.000 3/33462 460.0 0.421 0.325 0.152 0.000 0.000 0.000 3/33462 470.0 0.413 0.318 0.148 0.000 0.000 0.000 3/33462 480.0 0.404 0.312 0.145 0.000 0.000 0.000 3/33462 490.0 0.396 0.305 0.142 0.000 0.000 0.000 3/33462 500.0 0.388 0.299 0.140 0.000 0.000 0.000 3/33462 510.0 0.380 0.293 0.137 0.000 0.000 0.000 3/33462 520.0 0.373 0.288 0.134 0.000 0.000 0.000 3/33462 530.0 0.366 0.282 0.132 0.000 0.000 0.000 3/33462 540.0 0.359 0.277 0.129 0.000 0.000 0.000 3/33462 550.0 0.353 0.272 0.127 0.000 0.000 0.000 3/33462 560.0 0.347 0.267 0.125 0.000 0.000 0.000 3/33462 570.0 0.341 0.262 0.122 0.000 0.000 0.000 3/33462 580.0 0.335 0.258 0.120 0.000 0.000 0.000 3/33462 590.0 0.329 0.253 0.118 0.000 0.000 0.000 3/33462 600.0 0.324 0.249 0.116 0.000 0.000 0.000 3/33462 610.0 0.318 0.245 0.114 0.000 0.000 0.000 3/33462 620.0 0.313 0.241 0.113 0.000 0.000 0.000 3/33462 630.0 0.308 0.237 0.111 0.000 0.000 0.000 3/33462 640.0 0.304 0.233 0.109 0.000 0.000 0.000 3/33462 650.0 0.299 0.230 0.107 0.000 0.000 0.000 3/33462 660.0 0.294 0.226 0.106 0.000 0.000 0.000 3/33462 670.0 0.290 0.223 0.104 0.000 0.000 0.000 3/33462 680.0 0.286 0.220 0.103 0.000 0.000 0.000 3/33462 690.0 0.282 0.216 0.101 0.000 0.000 0.000 3/33462 700.0 0.278 0.213 0.100 0.000 0.000 0.000 3/33462 710.0 0.274 0.210 0.098 0.000 0.000 0.000 3/33462 720.0 0.270 0.207 0.097 0.000 0.000 0.000 3/33462 730.0 0.266 0.205 0.096 0.000 0.000 0.000 3/33462 740.0 0.263 0.202 0.094 0.000 0.000 0.000 3/33462 750.0 0.259 0.199 0.093 0.000 0.000 0.000 3/33462 760.0 0.256 0.196 0.092 0.000 0.000 0.000 3/33462 770.0 0.253 0.194 0.091 0.000 0.000 0.000 3/33462 780.0 0.249 0.191 0.090 0.000 0.000 0.000 3/33462 790.0 0.246 0.189 0.088 0.000 0.000 0.000 3/33462 800.0 0.243 0.187 0.087 0.000 0.000 0.000 3/33462 810.0 0.240 0.184 0.086 0.000 0.000 0.000 3/33462 820.0 0.237 0.182 0.085 0.000 0.000 0.000 3/33462 830.0 0.234 0.180 0.084 0.000 0.000 0.000 3/33462 840.0 0.232 0.178 0.083 0.000 0.000 0.000 3/33462 850.0 0.229 0.176 0.082 0.000 0.000 0.000 3/33462 860.0 0.226 0.174 0.081 0.000 0.000 0.000 3/33462 870.0 0.224 0.172 0.080 0.000 0.000 0.000 3/33462 880.0 0.221 0.170 0.079 0.000 0.000 0.000 3/33462 890.0 0.219 0.168 0.079 0.000 0.000 0.000 3/33462 900.0 0.216 0.166 0.078 0.000 0.000 0.000 3/33462 910.0 0.214 0.164 0.077 0.000 0.000 0.000 3/33462 920.0 0.212 0.162 0.076 0.000 0.000 0.000 3/33462 930.0 0.209 0.160 0.075 0.000 0.000 0.000 3/33462 940.0 0.207 0.159 0.074 0.000 0.000 0.000 3/33462 950.0 0.205 0.157 0.074 0.000 0.000 0.000 3/33462 960.0 0.203 0.155 0.073 0.000 0.000 0.000 3/33462 970.0 0.201 0.154 0.072 0.000 0.000 0.000 3/33462 980.0 0.199 0.152 0.071 0.000 0.000 0.000 3/33462 990.0 0.197 0.151 0.071 0.000 0.000 0.000 3/33462 1000.0 0.195 0.149 0.070 0.000 0.000 0.000 3/33462 Thermal conductivity related properties were written into "kappa-m13133.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:58:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|