----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:36:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.675089730000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.795616690000001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.679253010000000 Atomic positions (fractional): *1 Li 0.40210820946954 0.69293679709491 0.44923182991909 6.941 2 Li 0.59789179053046 0.69293679709491 0.05076817008091 6.941 3 Li 0.90210820946954 0.80706320290509 0.55076817008091 6.941 4 Li 0.09789179053046 0.80706320290509 0.94923182991909 6.941 5 Li 0.59789179053046 0.30706320290509 0.55076817008091 6.941 6 Li 0.40210820946954 0.30706320290509 0.94923182991909 6.941 7 Li 0.09789179053046 0.19293679709491 0.44923182991909 6.941 8 Li 0.90210820946954 0.19293679709491 0.05076817008091 6.941 *9 O 0.85185971966926 0.64541197608605 0.86162499702772 15.999 10 O 0.14814028033074 0.35458802391395 0.13837500297228 15.999 11 O 0.85185971966926 0.35458802391395 0.36162499702772 15.999 12 O 0.64814028033074 0.14541197608605 0.86162499702772 15.999 13 O 0.35185971966926 0.14541197608605 0.63837500297228 15.999 *14 O 0.00000000000000 0.24195968480579 0.75000000000000 15.999 15 O 0.14814028033074 0.64541197608605 0.63837500297228 15.999 16 O 0.35185971966926 0.85458802391395 0.13837500297228 15.999 17 O 0.00000000000000 0.75804031519421 0.25000000000000 15.999 18 O 0.50000000000000 0.74195968480579 0.75000000000000 15.999 *19 O 0.57714649186582 0.71032458945253 0.56753217089075 15.999 20 O 0.50000000000000 0.25804031519421 0.25000000000000 15.999 21 O 0.07714649186582 0.78967541054747 0.43246782910925 15.999 22 O 0.92285350813418 0.78967541054747 0.06753217089075 15.999 23 O 0.57714649186582 0.28967541054747 0.06753217089075 15.999 24 O 0.42285350813418 0.71032458945253 0.93246782910925 15.999 25 O 0.92285350813418 0.21032458945253 0.56753217089075 15.999 26 O 0.07714649186582 0.21032458945253 0.93246782910925 15.999 27 O 0.42285350813418 0.28967541054747 0.43246782910925 15.999 28 O 0.64814028033074 0.85458802391395 0.36162499702772 15.999 *29 Si 0.90660779814501 0.69298057352228 0.35214765095252 28.085 30 Si 0.40660779814501 0.19298057352227 0.14785234904748 28.085 31 Si 0.59339220185499 0.19298057352227 0.35214765095252 28.085 32 Si 0.90660779814501 0.30701942647773 0.85214765095252 28.085 33 Si 0.09339220185499 0.30701942647773 0.64785234904748 28.085 34 Si 0.59339220185499 0.80701942647772 0.85214765095252 28.085 35 Si 0.40660779814501 0.80701942647772 0.64785234904748 28.085 36 Si 0.09339220185499 0.69298057352228 0.14785234904748 28.085 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.675089730000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.795616690000001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.679253010000000 Atomic positions (fractional): *1 Li 0.40210820946954 0.69293679709491 0.44923182991909 6.941 > 1 2 Li 0.59789179053046 0.69293679709491 0.05076817008091 6.941 > 2 3 Li 0.90210820946954 0.80706320290509 0.55076817008091 6.941 > 3 4 Li 0.09789179053046 0.80706320290509 0.94923182991909 6.941 > 4 5 Li 0.59789179053046 0.30706320290509 0.55076817008091 6.941 > 5 6 Li 0.40210820946954 0.30706320290509 0.94923182991909 6.941 > 6 7 Li 0.09789179053046 0.19293679709491 0.44923182991909 6.941 > 7 8 Li 0.90210820946954 0.19293679709491 0.05076817008091 6.941 > 8 *9 O 0.85185971966926 0.64541197608605 0.86162499702772 15.999 > 9 10 O 0.14814028033074 0.35458802391395 0.13837500297228 15.999 > 10 11 O 0.85185971966926 0.35458802391395 0.36162499702772 15.999 > 11 12 O 0.64814028033074 0.14541197608605 0.86162499702772 15.999 > 12 13 O 0.35185971966926 0.14541197608605 0.63837500297228 15.999 > 13 *14 O 0.00000000000000 0.24195968480579 0.75000000000000 15.999 > 14 15 O 0.14814028033074 0.64541197608605 0.63837500297228 15.999 > 15 16 O 0.35185971966926 0.85458802391395 0.13837500297228 15.999 > 16 17 O 0.00000000000000 0.75804031519421 0.25000000000000 15.999 > 17 18 O 0.50000000000000 0.74195968480579 0.75000000000000 15.999 > 18 *19 O 0.57714649186582 0.71032458945253 0.56753217089075 15.999 > 19 20 O 0.50000000000000 0.25804031519421 0.25000000000000 15.999 > 20 21 O 0.07714649186582 0.78967541054747 0.43246782910925 15.999 > 21 22 O 0.92285350813418 0.78967541054747 0.06753217089075 15.999 > 22 23 O 0.57714649186582 0.28967541054747 0.06753217089075 15.999 > 23 24 O 0.42285350813418 0.71032458945253 0.93246782910925 15.999 > 24 25 O 0.92285350813418 0.21032458945253 0.56753217089075 15.999 > 25 26 O 0.07714649186582 0.21032458945253 0.93246782910925 15.999 > 26 27 O 0.42285350813418 0.28967541054747 0.43246782910925 15.999 > 27 28 O 0.64814028033074 0.85458802391395 0.36162499702772 15.999 > 28 *29 Si 0.90660779814501 0.69298057352228 0.35214765095252 28.085 > 29 30 Si 0.40660779814501 0.19298057352227 0.14785234904748 28.085 > 30 31 Si 0.59339220185499 0.19298057352227 0.35214765095252 28.085 > 31 32 Si 0.90660779814501 0.30701942647773 0.85214765095252 28.085 > 32 33 Si 0.09339220185499 0.30701942647773 0.64785234904748 28.085 > 33 34 Si 0.59339220185499 0.80701942647772 0.85214765095252 28.085 > 34 35 Si 0.40660779814501 0.80701942647772 0.64785234904748 28.085 > 35 36 Si 0.09339220185499 0.69298057352228 0.14785234904748 28.085 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.350179460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.591233380000002 0.000000000000000 c 0.000000000000000 0.000000000000000 14.679253010000000 Atomic positions (fractional): *1 Li 0.20105410473477 0.34646839854746 0.44923182991909 6.941 > 1 2 Li 0.70105410473477 0.34646839854746 0.44923182991909 6.941 > 1 3 Li 0.20105410473477 0.84646839854746 0.44923182991909 6.941 > 1 4 Li 0.70105410473477 0.84646839854746 0.44923182991909 6.941 > 1 5 Li 0.29894589526523 0.34646839854746 0.05076817008091 6.941 > 2 6 Li 0.79894589526523 0.34646839854746 0.05076817008091 6.941 > 2 7 Li 0.29894589526523 0.84646839854746 0.05076817008091 6.941 > 2 8 Li 0.79894589526523 0.84646839854746 0.05076817008091 6.941 > 2 9 Li 0.45105410473477 0.40353160145254 0.55076817008091 6.941 > 3 10 Li 0.95105410473477 0.40353160145254 0.55076817008091 6.941 > 3 11 Li 0.45105410473477 0.90353160145254 0.55076817008091 6.941 > 3 12 Li 0.95105410473477 0.90353160145254 0.55076817008091 6.941 > 3 13 Li 0.04894589526523 0.40353160145254 0.94923182991909 6.941 > 4 14 Li 0.54894589526523 0.40353160145254 0.94923182991909 6.941 > 4 15 Li 0.04894589526523 0.90353160145254 0.94923182991909 6.941 > 4 16 Li 0.54894589526523 0.90353160145254 0.94923182991909 6.941 > 4 17 Li 0.29894589526523 0.15353160145254 0.55076817008091 6.941 > 5 18 Li 0.79894589526523 0.15353160145254 0.55076817008091 6.941 > 5 19 Li 0.29894589526523 0.65353160145254 0.55076817008091 6.941 > 5 20 Li 0.79894589526523 0.65353160145254 0.55076817008091 6.941 > 5 21 Li 0.20105410473477 0.15353160145254 0.94923182991909 6.941 > 6 22 Li 0.70105410473477 0.15353160145254 0.94923182991909 6.941 > 6 23 Li 0.20105410473477 0.65353160145254 0.94923182991909 6.941 > 6 24 Li 0.70105410473477 0.65353160145254 0.94923182991909 6.941 > 6 25 Li 0.04894589526523 0.09646839854746 0.44923182991909 6.941 > 7 26 Li 0.54894589526523 0.09646839854746 0.44923182991909 6.941 > 7 27 Li 0.04894589526523 0.59646839854746 0.44923182991909 6.941 > 7 28 Li 0.54894589526523 0.59646839854746 0.44923182991909 6.941 > 7 29 Li 0.45105410473477 0.09646839854746 0.05076817008091 6.941 > 8 30 Li 0.95105410473477 0.09646839854746 0.05076817008091 6.941 > 8 31 Li 0.45105410473477 0.59646839854746 0.05076817008091 6.941 > 8 32 Li 0.95105410473477 0.59646839854746 0.05076817008091 6.941 > 8 *33 O 0.42592985983463 0.32270598804303 0.86162499702772 15.999 > 9 34 O 0.92592985983463 0.32270598804303 0.86162499702772 15.999 > 9 35 O 0.42592985983463 0.82270598804303 0.86162499702772 15.999 > 9 36 O 0.92592985983463 0.82270598804303 0.86162499702772 15.999 > 9 37 O 0.07407014016537 0.17729401195697 0.13837500297228 15.999 > 10 38 O 0.57407014016537 0.17729401195697 0.13837500297228 15.999 > 10 39 O 0.07407014016537 0.67729401195697 0.13837500297228 15.999 > 10 40 O 0.57407014016537 0.67729401195697 0.13837500297228 15.999 > 10 41 O 0.42592985983463 0.17729401195697 0.36162499702772 15.999 > 11 42 O 0.92592985983463 0.17729401195697 0.36162499702772 15.999 > 11 43 O 0.42592985983463 0.67729401195697 0.36162499702772 15.999 > 11 44 O 0.92592985983463 0.67729401195697 0.36162499702772 15.999 > 11 45 O 0.32407014016537 0.07270598804303 0.86162499702772 15.999 > 12 46 O 0.82407014016537 0.07270598804303 0.86162499702772 15.999 > 12 47 O 0.32407014016537 0.57270598804303 0.86162499702772 15.999 > 12 48 O 0.82407014016537 0.57270598804303 0.86162499702772 15.999 > 12 49 O 0.17592985983463 0.07270598804303 0.63837500297228 15.999 > 13 50 O 0.67592985983463 0.07270598804303 0.63837500297228 15.999 > 13 51 O 0.17592985983463 0.57270598804303 0.63837500297228 15.999 > 13 52 O 0.67592985983463 0.57270598804303 0.63837500297228 15.999 > 13 *53 O 0.00000000000000 0.12097984240289 0.75000000000000 15.999 > 14 54 O 0.50000000000000 0.12097984240289 0.75000000000000 15.999 > 14 55 O 0.00000000000000 0.62097984240289 0.75000000000000 15.999 > 14 56 O 0.50000000000000 0.62097984240289 0.75000000000000 15.999 > 14 57 O 0.07407014016537 0.32270598804303 0.63837500297228 15.999 > 15 58 O 0.57407014016537 0.32270598804303 0.63837500297228 15.999 > 15 59 O 0.07407014016537 0.82270598804303 0.63837500297228 15.999 > 15 60 O 0.57407014016537 0.82270598804303 0.63837500297228 15.999 > 15 61 O 0.17592985983463 0.42729401195697 0.13837500297228 15.999 > 16 62 O 0.67592985983463 0.42729401195697 0.13837500297228 15.999 > 16 63 O 0.17592985983463 0.92729401195697 0.13837500297228 15.999 > 16 64 O 0.67592985983463 0.92729401195697 0.13837500297228 15.999 > 16 65 O 0.00000000000000 0.37902015759711 0.25000000000000 15.999 > 17 66 O 0.50000000000000 0.37902015759711 0.25000000000000 15.999 > 17 67 O 0.00000000000000 0.87902015759711 0.25000000000000 15.999 > 17 68 O 0.50000000000000 0.87902015759711 0.25000000000000 15.999 > 17 69 O 0.25000000000000 0.37097984240289 0.75000000000000 15.999 > 18 70 O 0.75000000000000 0.37097984240289 0.75000000000000 15.999 > 18 71 O 0.25000000000000 0.87097984240289 0.75000000000000 15.999 > 18 72 O 0.75000000000000 0.87097984240289 0.75000000000000 15.999 > 18 *73 O 0.28857324593291 0.35516229472626 0.56753217089075 15.999 > 19 74 O 0.78857324593291 0.35516229472626 0.56753217089075 15.999 > 19 75 O 0.28857324593291 0.85516229472626 0.56753217089075 15.999 > 19 76 O 0.78857324593291 0.85516229472626 0.56753217089075 15.999 > 19 77 O 0.25000000000000 0.12902015759711 0.25000000000000 15.999 > 20 78 O 0.75000000000000 0.12902015759711 0.25000000000000 15.999 > 20 79 O 0.25000000000000 0.62902015759711 0.25000000000000 15.999 > 20 80 O 0.75000000000000 0.62902015759711 0.25000000000000 15.999 > 20 81 O 0.03857324593291 0.39483770527374 0.43246782910925 15.999 > 21 82 O 0.53857324593291 0.39483770527374 0.43246782910925 15.999 > 21 83 O 0.03857324593291 0.89483770527374 0.43246782910925 15.999 > 21 84 O 0.53857324593291 0.89483770527374 0.43246782910925 15.999 > 21 85 O 0.46142675406709 0.39483770527374 0.06753217089075 15.999 > 22 86 O 0.96142675406709 0.39483770527374 0.06753217089075 15.999 > 22 87 O 0.46142675406709 0.89483770527374 0.06753217089075 15.999 > 22 88 O 0.96142675406709 0.89483770527374 0.06753217089075 15.999 > 22 89 O 0.28857324593291 0.14483770527374 0.06753217089075 15.999 > 23 90 O 0.78857324593291 0.14483770527374 0.06753217089075 15.999 > 23 91 O 0.28857324593291 0.64483770527374 0.06753217089075 15.999 > 23 92 O 0.78857324593291 0.64483770527374 0.06753217089075 15.999 > 23 93 O 0.21142675406709 0.35516229472626 0.93246782910925 15.999 > 24 94 O 0.71142675406709 0.35516229472626 0.93246782910925 15.999 > 24 95 O 0.21142675406709 0.85516229472626 0.93246782910925 15.999 > 24 96 O 0.71142675406709 0.85516229472626 0.93246782910925 15.999 > 24 97 O 0.46142675406709 0.10516229472626 0.56753217089075 15.999 > 25 98 O 0.96142675406709 0.10516229472626 0.56753217089075 15.999 > 25 99 O 0.46142675406709 0.60516229472626 0.56753217089075 15.999 > 25 100 O 0.96142675406709 0.60516229472626 0.56753217089075 15.999 > 25 101 O 0.03857324593291 0.10516229472626 0.93246782910925 15.999 > 26 102 O 0.53857324593291 0.10516229472626 0.93246782910925 15.999 > 26 103 O 0.03857324593291 0.60516229472626 0.93246782910925 15.999 > 26 104 O 0.53857324593291 0.60516229472626 0.93246782910925 15.999 > 26 105 O 0.21142675406709 0.14483770527374 0.43246782910925 15.999 > 27 106 O 0.71142675406709 0.14483770527374 0.43246782910925 15.999 > 27 107 O 0.21142675406709 0.64483770527374 0.43246782910925 15.999 > 27 108 O 0.71142675406709 0.64483770527374 0.43246782910925 15.999 > 27 109 O 0.32407014016537 0.42729401195697 0.36162499702772 15.999 > 28 110 O 0.82407014016537 0.42729401195697 0.36162499702772 15.999 > 28 111 O 0.32407014016537 0.92729401195697 0.36162499702772 15.999 > 28 112 O 0.82407014016537 0.92729401195697 0.36162499702772 15.999 > 28 *113 Si 0.45330389907251 0.34649028676114 0.35214765095252 28.085 > 29 114 Si 0.95330389907251 0.34649028676114 0.35214765095252 28.085 > 29 115 Si 0.45330389907251 0.84649028676114 0.35214765095252 28.085 > 29 116 Si 0.95330389907251 0.84649028676114 0.35214765095252 28.085 > 29 117 Si 0.20330389907251 0.09649028676114 0.14785234904748 28.085 > 30 118 Si 0.70330389907251 0.09649028676114 0.14785234904748 28.085 > 30 119 Si 0.20330389907251 0.59649028676114 0.14785234904748 28.085 > 30 120 Si 0.70330389907251 0.59649028676114 0.14785234904748 28.085 > 30 121 Si 0.29669610092749 0.09649028676114 0.35214765095252 28.085 > 31 122 Si 0.79669610092749 0.09649028676114 0.35214765095252 28.085 > 31 123 Si 0.29669610092749 0.59649028676114 0.35214765095252 28.085 > 31 124 Si 0.79669610092749 0.59649028676114 0.35214765095252 28.085 > 31 125 Si 0.45330389907251 0.15350971323886 0.85214765095252 28.085 > 32 126 Si 0.95330389907251 0.15350971323886 0.85214765095252 28.085 > 32 127 Si 0.45330389907251 0.65350971323886 0.85214765095252 28.085 > 32 128 Si 0.95330389907251 0.65350971323886 0.85214765095252 28.085 > 32 129 Si 0.04669610092750 0.15350971323886 0.64785234904748 28.085 > 33 130 Si 0.54669610092749 0.15350971323886 0.64785234904748 28.085 > 33 131 Si 0.04669610092750 0.65350971323886 0.64785234904748 28.085 > 33 132 Si 0.54669610092749 0.65350971323886 0.64785234904748 28.085 > 33 133 Si 0.29669610092749 0.40350971323886 0.85214765095252 28.085 > 34 134 Si 0.79669610092749 0.40350971323886 0.85214765095252 28.085 > 34 135 Si 0.29669610092749 0.90350971323886 0.85214765095252 28.085 > 34 136 Si 0.79669610092749 0.90350971323886 0.85214765095252 28.085 > 34 137 Si 0.20330389907251 0.40350971323886 0.64785234904748 28.085 > 35 138 Si 0.70330389907251 0.40350971323886 0.64785234904748 28.085 > 35 139 Si 0.20330389907251 0.90350971323886 0.64785234904748 28.085 > 35 140 Si 0.70330389907251 0.90350971323886 0.64785234904748 28.085 > 35 141 Si 0.04669610092750 0.34649028676114 0.14785234904748 28.085 > 36 142 Si 0.54669610092749 0.34649028676114 0.14785234904748 28.085 > 36 143 Si 0.04669610092750 0.84649028676114 0.14785234904748 28.085 > 36 144 Si 0.54669610092749 0.84649028676114 0.14785234904748 28.085 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5322329 0.0000000 0.0000000 0.0000000 2.6104462 0.0000000 0.0000000 0.0000000 2.6089810 -------------------------- Born effective charges -------------------------- 1 Li 1.0524069 -0.0212492 -0.0512097 0.0424277 1.0381540 -0.0216320 0.0553939 0.0036382 1.0250900 2 Li 1.0524069 0.0212492 -0.0512097 -0.0424277 1.0381540 0.0216320 0.0553939 -0.0036382 1.0250900 3 Li 1.0524069 0.0212492 0.0512097 -0.0424277 1.0381540 -0.0216320 -0.0553939 0.0036382 1.0250900 4 Li 1.0524069 -0.0212492 0.0512097 0.0424277 1.0381540 0.0216320 -0.0553939 -0.0036382 1.0250900 5 Li 1.0524069 -0.0212492 -0.0512097 0.0424277 1.0381540 -0.0216320 0.0553939 0.0036382 1.0250900 6 Li 1.0524069 0.0212492 -0.0512097 -0.0424277 1.0381540 0.0216320 0.0553939 -0.0036382 1.0250900 7 Li 1.0524069 0.0212492 0.0512097 -0.0424277 1.0381540 -0.0216320 -0.0553939 0.0036382 1.0250900 8 Li 1.0524069 -0.0212492 0.0512097 0.0424277 1.0381540 0.0216320 -0.0553939 -0.0036382 1.0250900 9 O -1.7362070 0.5836687 -0.0952794 0.6157273 -2.2299903 -0.0371778 -0.0851870 -0.0888223 -1.1392142 10 O -1.7362070 0.5836687 -0.0952794 0.6157273 -2.2299903 -0.0371778 -0.0851870 -0.0888223 -1.1392142 11 O -1.7362070 -0.5836687 -0.0952794 -0.6157273 -2.2299903 0.0371778 -0.0851870 0.0888223 -1.1392142 12 O -1.7362070 -0.5836687 0.0952794 -0.6157273 -2.2299903 -0.0371778 0.0851870 -0.0888223 -1.1392142 13 O -1.7362070 0.5836687 0.0952794 0.6157273 -2.2299903 0.0371778 0.0851870 0.0888223 -1.1392142 14 O -1.2783461 0.0000000 0.8047389 0.0000000 -1.0814776 -0.0000000 0.6095698 0.0000000 -2.8419063 15 O -1.7362070 -0.5836687 -0.0952794 -0.6157273 -2.2299903 0.0371778 -0.0851870 0.0888223 -1.1392142 16 O -1.7362070 -0.5836687 0.0952794 -0.6157273 -2.2299903 -0.0371778 0.0851870 -0.0888223 -1.1392142 17 O -1.2783461 0.0000000 0.8047389 0.0000000 -1.0814776 -0.0000000 0.6095698 0.0000000 -2.8419063 18 O -1.2783461 0.0000000 -0.8047389 0.0000000 -1.0814776 -0.0000000 -0.6095698 0.0000000 -2.8419063 19 O -1.6251918 0.1097042 0.2974870 0.0173043 -1.4551128 -0.1121269 0.2555332 -0.1635542 -1.6852697 20 O -1.2783461 0.0000000 -0.8047389 0.0000000 -1.0814776 -0.0000000 -0.6095698 0.0000000 -2.8419063 21 O -1.6251918 -0.1097042 -0.2974870 -0.0173043 -1.4551128 -0.1121269 -0.2555332 -0.1635542 -1.6852697 22 O -1.6251918 0.1097042 -0.2974870 0.0173043 -1.4551128 0.1121269 -0.2555332 0.1635542 -1.6852697 23 O -1.6251918 -0.1097042 0.2974870 -0.0173043 -1.4551128 0.1121269 0.2555332 0.1635542 -1.6852697 24 O -1.6251918 -0.1097042 0.2974870 -0.0173043 -1.4551128 0.1121269 0.2555332 0.1635542 -1.6852697 25 O -1.6251918 -0.1097042 -0.2974870 -0.0173043 -1.4551128 -0.1121269 -0.2555332 -0.1635542 -1.6852697 26 O -1.6251918 0.1097042 -0.2974870 0.0173043 -1.4551128 0.1121269 -0.2555332 0.1635542 -1.6852697 27 O -1.6251918 0.1097042 0.2974870 0.0173043 -1.4551128 -0.1121269 0.2555332 -0.1635542 -1.6852697 28 O -1.7362070 0.5836687 0.0952794 0.6157273 -2.2299903 0.0371778 0.0851870 0.0888223 -1.1392142 29 Si 2.9481650 0.2654843 -0.1829621 -0.2522754 3.1876879 0.0488370 -0.1095386 -0.0637794 3.2203471 30 Si 2.9481650 0.2654843 0.1829621 -0.2522754 3.1876879 -0.0488370 0.1095386 0.0637794 3.2203471 31 Si 2.9481650 -0.2654843 0.1829621 0.2522754 3.1876879 0.0488370 0.1095386 -0.0637794 3.2203471 32 Si 2.9481650 -0.2654843 -0.1829621 0.2522754 3.1876879 -0.0488370 -0.1095386 0.0637794 3.2203471 33 Si 2.9481650 0.2654843 -0.1829621 -0.2522754 3.1876879 0.0488370 -0.1095386 -0.0637794 3.2203471 34 Si 2.9481650 0.2654843 0.1829621 -0.2522754 3.1876879 -0.0488370 0.1095386 0.0637794 3.2203471 35 Si 2.9481650 -0.2654843 0.1829621 0.2522754 3.1876879 0.0488370 0.1095386 -0.0637794 3.2203471 36 Si 2.9481650 -0.2654843 -0.1829621 0.2522754 3.1876879 -0.0488370 -0.1095386 0.0637794 3.2203471 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3053 Number of blocks in projector: 3053 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: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 652 / 652 (1) 144 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 138 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 138 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 371 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 371 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 371 Use standard eigh solver. Tree of FC basis block matrices: - (3053, 3012), data: False |-- (371, 366), data: True |-- (371, 366), data: True |-- (371, 366), data: True |-- (644, 636), data: False |-- (644, 6), data: (644, 14) @ (14, 6) |-- (144, 138), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (644, 636), data: False |-- (644, 6), data: (644, 14) @ (14, 6) |-- (144, 138), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (652, 642), data: False |-- (652, 8), data: (652, 18) @ (18, 8) |-- (152, 144), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 560 - Time: 1.121 Solver_block: 200 / 560 - Time: 1.059 Solver_block: 300 / 560 - Time: 1.062 Solver_block: 400 / 560 - Time: 1.062 Solver_block: 500 / 560 - Time: 1.065 Solver_block: 560 / 560 - Time: 0.683 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.190 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3053 Number of blocks in projector: 3053 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: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 652 / 652 (1) 144 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 138 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 138 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 371 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 371 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 371 Use standard eigh solver. Tree of FC basis block matrices: - (3053, 3012), data: False |-- (371, 366), data: True |-- (371, 366), data: True |-- (371, 366), data: True |-- (644, 636), data: False |-- (644, 6), data: (644, 14) @ (14, 6) |-- (144, 138), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (644, 636), data: False |-- (644, 6), data: (644, 14) @ (14, 6) |-- (144, 138), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (652, 642), data: False |-- (652, 8), data: (652, 18) @ (18, 8) |-- (152, 144), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:37:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:37:27]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.675089730000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.795616690000001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.679253010000000 Atomic positions (fractional): 1 Li 0.40210820946954 0.69293679709491 0.44923182991909 6.941 2 Li 0.59789179053046 0.69293679709491 0.05076817008091 6.941 3 Li 0.90210820946954 0.80706320290509 0.55076817008091 6.941 4 Li 0.09789179053046 0.80706320290509 0.94923182991909 6.941 5 Li 0.59789179053046 0.30706320290509 0.55076817008091 6.941 6 Li 0.40210820946954 0.30706320290509 0.94923182991909 6.941 7 Li 0.09789179053046 0.19293679709491 0.44923182991909 6.941 8 Li 0.90210820946954 0.19293679709491 0.05076817008091 6.941 9 O 0.85185971966926 0.64541197608605 0.86162499702772 15.999 10 O 0.14814028033074 0.35458802391395 0.13837500297228 15.999 11 O 0.85185971966926 0.35458802391395 0.36162499702772 15.999 12 O 0.64814028033074 0.14541197608605 0.86162499702772 15.999 13 O 0.35185971966926 0.14541197608605 0.63837500297228 15.999 14 O 0.00000000000000 0.24195968480579 0.75000000000000 15.999 15 O 0.14814028033074 0.64541197608605 0.63837500297228 15.999 16 O 0.35185971966926 0.85458802391395 0.13837500297228 15.999 17 O 0.00000000000000 0.75804031519421 0.25000000000000 15.999 18 O 0.50000000000000 0.74195968480579 0.75000000000000 15.999 19 O 0.57714649186582 0.71032458945253 0.56753217089075 15.999 20 O 0.50000000000000 0.25804031519421 0.25000000000000 15.999 21 O 0.07714649186582 0.78967541054747 0.43246782910925 15.999 22 O 0.92285350813418 0.78967541054747 0.06753217089075 15.999 23 O 0.57714649186582 0.28967541054747 0.06753217089075 15.999 24 O 0.42285350813418 0.71032458945253 0.93246782910925 15.999 25 O 0.92285350813418 0.21032458945253 0.56753217089075 15.999 26 O 0.07714649186582 0.21032458945253 0.93246782910925 15.999 27 O 0.42285350813418 0.28967541054747 0.43246782910925 15.999 28 O 0.64814028033074 0.85458802391395 0.36162499702772 15.999 29 Si 0.90660779814501 0.69298057352228 0.35214765095252 28.085 30 Si 0.40660779814501 0.19298057352227 0.14785234904748 28.085 31 Si 0.59339220185499 0.19298057352227 0.35214765095252 28.085 32 Si 0.90660779814501 0.30701942647773 0.85214765095252 28.085 33 Si 0.09339220185499 0.30701942647773 0.64785234904748 28.085 34 Si 0.59339220185499 0.80701942647772 0.85214765095252 28.085 35 Si 0.40660779814501 0.80701942647772 0.64785234904748 28.085 36 Si 0.09339220185499 0.69298057352228 0.14785234904748 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.350179460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.591233380000002 0.000000000000000 c 0.000000000000000 0.000000000000000 14.679253010000000 Atomic positions (fractional): 1 Li 0.20105410473477 0.34646839854746 0.44923182991909 6.941 > 1 2 Li 0.70105410473477 0.34646839854746 0.44923182991909 6.941 > 1 3 Li 0.20105410473477 0.84646839854746 0.44923182991909 6.941 > 1 4 Li 0.70105410473477 0.84646839854746 0.44923182991909 6.941 > 1 5 Li 0.29894589526523 0.34646839854746 0.05076817008091 6.941 > 5 6 Li 0.79894589526523 0.34646839854746 0.05076817008091 6.941 > 5 7 Li 0.29894589526523 0.84646839854746 0.05076817008091 6.941 > 5 8 Li 0.79894589526523 0.84646839854746 0.05076817008091 6.941 > 5 9 Li 0.45105410473477 0.40353160145254 0.55076817008091 6.941 > 9 10 Li 0.95105410473477 0.40353160145254 0.55076817008091 6.941 > 9 11 Li 0.45105410473477 0.90353160145254 0.55076817008091 6.941 > 9 12 Li 0.95105410473477 0.90353160145254 0.55076817008091 6.941 > 9 13 Li 0.04894589526523 0.40353160145254 0.94923182991909 6.941 > 13 14 Li 0.54894589526523 0.40353160145254 0.94923182991909 6.941 > 13 15 Li 0.04894589526523 0.90353160145254 0.94923182991909 6.941 > 13 16 Li 0.54894589526523 0.90353160145254 0.94923182991909 6.941 > 13 17 Li 0.29894589526523 0.15353160145254 0.55076817008091 6.941 > 17 18 Li 0.79894589526523 0.15353160145254 0.55076817008091 6.941 > 17 19 Li 0.29894589526523 0.65353160145254 0.55076817008091 6.941 > 17 20 Li 0.79894589526523 0.65353160145254 0.55076817008091 6.941 > 17 21 Li 0.20105410473477 0.15353160145254 0.94923182991909 6.941 > 21 22 Li 0.70105410473477 0.15353160145254 0.94923182991909 6.941 > 21 23 Li 0.20105410473477 0.65353160145254 0.94923182991909 6.941 > 21 24 Li 0.70105410473477 0.65353160145254 0.94923182991909 6.941 > 21 25 Li 0.04894589526523 0.09646839854746 0.44923182991909 6.941 > 25 26 Li 0.54894589526523 0.09646839854746 0.44923182991909 6.941 > 25 27 Li 0.04894589526523 0.59646839854746 0.44923182991909 6.941 > 25 28 Li 0.54894589526523 0.59646839854746 0.44923182991909 6.941 > 25 29 Li 0.45105410473477 0.09646839854746 0.05076817008091 6.941 > 29 30 Li 0.95105410473477 0.09646839854746 0.05076817008091 6.941 > 29 31 Li 0.45105410473477 0.59646839854746 0.05076817008091 6.941 > 29 32 Li 0.95105410473477 0.59646839854746 0.05076817008091 6.941 > 29 33 O 0.42592985983463 0.32270598804303 0.86162499702772 15.999 > 33 34 O 0.92592985983463 0.32270598804303 0.86162499702772 15.999 > 33 35 O 0.42592985983463 0.82270598804303 0.86162499702772 15.999 > 33 36 O 0.92592985983463 0.82270598804303 0.86162499702772 15.999 > 33 37 O 0.07407014016537 0.17729401195697 0.13837500297228 15.999 > 37 38 O 0.57407014016537 0.17729401195697 0.13837500297228 15.999 > 37 39 O 0.07407014016537 0.67729401195697 0.13837500297228 15.999 > 37 40 O 0.57407014016537 0.67729401195697 0.13837500297228 15.999 > 37 41 O 0.42592985983463 0.17729401195697 0.36162499702772 15.999 > 41 42 O 0.92592985983463 0.17729401195697 0.36162499702772 15.999 > 41 43 O 0.42592985983463 0.67729401195697 0.36162499702772 15.999 > 41 44 O 0.92592985983463 0.67729401195697 0.36162499702772 15.999 > 41 45 O 0.32407014016537 0.07270598804303 0.86162499702772 15.999 > 45 46 O 0.82407014016537 0.07270598804303 0.86162499702772 15.999 > 45 47 O 0.32407014016537 0.57270598804303 0.86162499702772 15.999 > 45 48 O 0.82407014016537 0.57270598804303 0.86162499702772 15.999 > 45 49 O 0.17592985983463 0.07270598804303 0.63837500297228 15.999 > 49 50 O 0.67592985983463 0.07270598804303 0.63837500297228 15.999 > 49 51 O 0.17592985983463 0.57270598804303 0.63837500297228 15.999 > 49 52 O 0.67592985983463 0.57270598804303 0.63837500297228 15.999 > 49 53 O 0.00000000000000 0.12097984240289 0.75000000000000 15.999 > 53 54 O 0.50000000000000 0.12097984240289 0.75000000000000 15.999 > 53 55 O 0.00000000000000 0.62097984240289 0.75000000000000 15.999 > 53 56 O 0.50000000000000 0.62097984240289 0.75000000000000 15.999 > 53 57 O 0.07407014016537 0.32270598804303 0.63837500297228 15.999 > 57 58 O 0.57407014016537 0.32270598804303 0.63837500297228 15.999 > 57 59 O 0.07407014016537 0.82270598804303 0.63837500297228 15.999 > 57 60 O 0.57407014016537 0.82270598804303 0.63837500297228 15.999 > 57 61 O 0.17592985983463 0.42729401195697 0.13837500297228 15.999 > 61 62 O 0.67592985983463 0.42729401195697 0.13837500297228 15.999 > 61 63 O 0.17592985983463 0.92729401195697 0.13837500297228 15.999 > 61 64 O 0.67592985983463 0.92729401195697 0.13837500297228 15.999 > 61 65 O 0.00000000000000 0.37902015759711 0.25000000000000 15.999 > 65 66 O 0.50000000000000 0.37902015759711 0.25000000000000 15.999 > 65 67 O 0.00000000000000 0.87902015759711 0.25000000000000 15.999 > 65 68 O 0.50000000000000 0.87902015759711 0.25000000000000 15.999 > 65 69 O 0.25000000000000 0.37097984240289 0.75000000000000 15.999 > 69 70 O 0.75000000000000 0.37097984240289 0.75000000000000 15.999 > 69 71 O 0.25000000000000 0.87097984240289 0.75000000000000 15.999 > 69 72 O 0.75000000000000 0.87097984240289 0.75000000000000 15.999 > 69 73 O 0.28857324593291 0.35516229472626 0.56753217089075 15.999 > 73 74 O 0.78857324593291 0.35516229472626 0.56753217089075 15.999 > 73 75 O 0.28857324593291 0.85516229472626 0.56753217089075 15.999 > 73 76 O 0.78857324593291 0.85516229472626 0.56753217089075 15.999 > 73 77 O 0.25000000000000 0.12902015759711 0.25000000000000 15.999 > 77 78 O 0.75000000000000 0.12902015759711 0.25000000000000 15.999 > 77 79 O 0.25000000000000 0.62902015759711 0.25000000000000 15.999 > 77 80 O 0.75000000000000 0.62902015759711 0.25000000000000 15.999 > 77 81 O 0.03857324593291 0.39483770527374 0.43246782910925 15.999 > 81 82 O 0.53857324593291 0.39483770527374 0.43246782910925 15.999 > 81 83 O 0.03857324593291 0.89483770527374 0.43246782910925 15.999 > 81 84 O 0.53857324593291 0.89483770527374 0.43246782910925 15.999 > 81 85 O 0.46142675406709 0.39483770527374 0.06753217089075 15.999 > 85 86 O 0.96142675406709 0.39483770527374 0.06753217089075 15.999 > 85 87 O 0.46142675406709 0.89483770527374 0.06753217089075 15.999 > 85 88 O 0.96142675406709 0.89483770527374 0.06753217089075 15.999 > 85 89 O 0.28857324593291 0.14483770527374 0.06753217089075 15.999 > 89 90 O 0.78857324593291 0.14483770527374 0.06753217089075 15.999 > 89 91 O 0.28857324593291 0.64483770527374 0.06753217089075 15.999 > 89 92 O 0.78857324593291 0.64483770527374 0.06753217089075 15.999 > 89 93 O 0.21142675406709 0.35516229472626 0.93246782910925 15.999 > 93 94 O 0.71142675406709 0.35516229472626 0.93246782910925 15.999 > 93 95 O 0.21142675406709 0.85516229472626 0.93246782910925 15.999 > 93 96 O 0.71142675406709 0.85516229472626 0.93246782910925 15.999 > 93 97 O 0.46142675406709 0.10516229472626 0.56753217089075 15.999 > 97 98 O 0.96142675406709 0.10516229472626 0.56753217089075 15.999 > 97 99 O 0.46142675406709 0.60516229472626 0.56753217089075 15.999 > 97 100 O 0.96142675406709 0.60516229472626 0.56753217089075 15.999 > 97 101 O 0.03857324593291 0.10516229472626 0.93246782910925 15.999 > 101 102 O 0.53857324593291 0.10516229472626 0.93246782910925 15.999 > 101 103 O 0.03857324593291 0.60516229472626 0.93246782910925 15.999 > 101 104 O 0.53857324593291 0.60516229472626 0.93246782910925 15.999 > 101 105 O 0.21142675406709 0.14483770527374 0.43246782910925 15.999 > 105 106 O 0.71142675406709 0.14483770527374 0.43246782910925 15.999 > 105 107 O 0.21142675406709 0.64483770527374 0.43246782910925 15.999 > 105 108 O 0.71142675406709 0.64483770527374 0.43246782910925 15.999 > 105 109 O 0.32407014016537 0.42729401195697 0.36162499702772 15.999 > 109 110 O 0.82407014016537 0.42729401195697 0.36162499702772 15.999 > 109 111 O 0.32407014016537 0.92729401195697 0.36162499702772 15.999 > 109 112 O 0.82407014016537 0.92729401195697 0.36162499702772 15.999 > 109 113 Si 0.45330389907251 0.34649028676114 0.35214765095252 28.085 > 113 114 Si 0.95330389907251 0.34649028676114 0.35214765095252 28.085 > 113 115 Si 0.45330389907251 0.84649028676114 0.35214765095252 28.085 > 113 116 Si 0.95330389907251 0.84649028676114 0.35214765095252 28.085 > 113 117 Si 0.20330389907251 0.09649028676114 0.14785234904748 28.085 > 117 118 Si 0.70330389907251 0.09649028676114 0.14785234904748 28.085 > 117 119 Si 0.20330389907251 0.59649028676114 0.14785234904748 28.085 > 117 120 Si 0.70330389907251 0.59649028676114 0.14785234904748 28.085 > 117 121 Si 0.29669610092749 0.09649028676114 0.35214765095252 28.085 > 121 122 Si 0.79669610092749 0.09649028676114 0.35214765095252 28.085 > 121 123 Si 0.29669610092749 0.59649028676114 0.35214765095252 28.085 > 121 124 Si 0.79669610092749 0.59649028676114 0.35214765095252 28.085 > 121 125 Si 0.45330389907251 0.15350971323886 0.85214765095252 28.085 > 125 126 Si 0.95330389907251 0.15350971323886 0.85214765095252 28.085 > 125 127 Si 0.45330389907251 0.65350971323886 0.85214765095252 28.085 > 125 128 Si 0.95330389907251 0.65350971323886 0.85214765095252 28.085 > 125 129 Si 0.04669610092750 0.15350971323886 0.64785234904748 28.085 > 129 130 Si 0.54669610092749 0.15350971323886 0.64785234904748 28.085 > 129 131 Si 0.04669610092750 0.65350971323886 0.64785234904748 28.085 > 129 132 Si 0.54669610092749 0.65350971323886 0.64785234904748 28.085 > 129 133 Si 0.29669610092749 0.40350971323886 0.85214765095252 28.085 > 133 134 Si 0.79669610092749 0.40350971323886 0.85214765095252 28.085 > 133 135 Si 0.29669610092749 0.90350971323886 0.85214765095252 28.085 > 133 136 Si 0.79669610092749 0.90350971323886 0.85214765095252 28.085 > 133 137 Si 0.20330389907251 0.40350971323886 0.64785234904748 28.085 > 137 138 Si 0.70330389907251 0.40350971323886 0.64785234904748 28.085 > 137 139 Si 0.20330389907251 0.90350971323886 0.64785234904748 28.085 > 137 140 Si 0.70330389907251 0.90350971323886 0.64785234904748 28.085 > 137 141 Si 0.04669610092750 0.34649028676114 0.14785234904748 28.085 > 141 142 Si 0.54669610092749 0.34649028676114 0.14785234904748 28.085 > 141 143 Si 0.04669610092750 0.84649028676114 0.14785234904748 28.085 > 141 144 Si 0.54669610092749 0.84649028676114 0.14785234904748 28.085 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5322329 0.0000000 0.0000000 0.0000000 2.6104462 0.0000000 0.0000000 0.0000000 2.6089810 -------------------------- Born effective charges -------------------------- 1 Li 1.0524069 -0.0212492 -0.0512097 0.0424277 1.0381540 -0.0216320 0.0553939 0.0036382 1.0250900 2 Li 1.0524069 0.0212492 -0.0512097 -0.0424277 1.0381540 0.0216320 0.0553939 -0.0036382 1.0250900 3 Li 1.0524069 0.0212492 0.0512097 -0.0424277 1.0381540 -0.0216320 -0.0553939 0.0036382 1.0250900 4 Li 1.0524069 -0.0212492 0.0512097 0.0424277 1.0381540 0.0216320 -0.0553939 -0.0036382 1.0250900 5 Li 1.0524069 -0.0212492 -0.0512097 0.0424277 1.0381540 -0.0216320 0.0553939 0.0036382 1.0250900 6 Li 1.0524069 0.0212492 -0.0512097 -0.0424277 1.0381540 0.0216320 0.0553939 -0.0036382 1.0250900 7 Li 1.0524069 0.0212492 0.0512097 -0.0424277 1.0381540 -0.0216320 -0.0553939 0.0036382 1.0250900 8 Li 1.0524069 -0.0212492 0.0512097 0.0424277 1.0381540 0.0216320 -0.0553939 -0.0036382 1.0250900 9 O -1.7362070 0.5836687 -0.0952794 0.6157273 -2.2299903 -0.0371778 -0.0851870 -0.0888223 -1.1392142 10 O -1.7362070 0.5836687 -0.0952794 0.6157273 -2.2299903 -0.0371778 -0.0851870 -0.0888223 -1.1392142 11 O -1.7362070 -0.5836687 -0.0952794 -0.6157273 -2.2299903 0.0371778 -0.0851870 0.0888223 -1.1392142 12 O -1.7362070 -0.5836687 0.0952794 -0.6157273 -2.2299903 -0.0371778 0.0851870 -0.0888223 -1.1392142 13 O -1.7362070 0.5836687 0.0952794 0.6157273 -2.2299903 0.0371778 0.0851870 0.0888223 -1.1392142 14 O -1.2783461 0.0000000 0.8047389 0.0000000 -1.0814776 -0.0000000 0.6095698 0.0000000 -2.8419063 15 O -1.7362070 -0.5836687 -0.0952794 -0.6157273 -2.2299903 0.0371778 -0.0851870 0.0888223 -1.1392142 16 O -1.7362070 -0.5836687 0.0952794 -0.6157273 -2.2299903 -0.0371778 0.0851870 -0.0888223 -1.1392142 17 O -1.2783461 0.0000000 0.8047389 0.0000000 -1.0814776 -0.0000000 0.6095698 0.0000000 -2.8419063 18 O -1.2783461 0.0000000 -0.8047389 0.0000000 -1.0814776 -0.0000000 -0.6095698 0.0000000 -2.8419063 19 O -1.6251918 0.1097042 0.2974870 0.0173043 -1.4551128 -0.1121269 0.2555332 -0.1635542 -1.6852697 20 O -1.2783461 0.0000000 -0.8047389 0.0000000 -1.0814776 -0.0000000 -0.6095698 0.0000000 -2.8419063 21 O -1.6251918 -0.1097042 -0.2974870 -0.0173043 -1.4551128 -0.1121269 -0.2555332 -0.1635542 -1.6852697 22 O -1.6251918 0.1097042 -0.2974870 0.0173043 -1.4551128 0.1121269 -0.2555332 0.1635542 -1.6852697 23 O -1.6251918 -0.1097042 0.2974870 -0.0173043 -1.4551128 0.1121269 0.2555332 0.1635542 -1.6852697 24 O -1.6251918 -0.1097042 0.2974870 -0.0173043 -1.4551128 0.1121269 0.2555332 0.1635542 -1.6852697 25 O -1.6251918 -0.1097042 -0.2974870 -0.0173043 -1.4551128 -0.1121269 -0.2555332 -0.1635542 -1.6852697 26 O -1.6251918 0.1097042 -0.2974870 0.0173043 -1.4551128 0.1121269 -0.2555332 0.1635542 -1.6852697 27 O -1.6251918 0.1097042 0.2974870 0.0173043 -1.4551128 -0.1121269 0.2555332 -0.1635542 -1.6852697 28 O -1.7362070 0.5836687 0.0952794 0.6157273 -2.2299903 0.0371778 0.0851870 0.0888223 -1.1392142 29 Si 2.9481650 0.2654843 -0.1829621 -0.2522754 3.1876879 0.0488370 -0.1095386 -0.0637794 3.2203471 30 Si 2.9481650 0.2654843 0.1829621 -0.2522754 3.1876879 -0.0488370 0.1095386 0.0637794 3.2203471 31 Si 2.9481650 -0.2654843 0.1829621 0.2522754 3.1876879 0.0488370 0.1095386 -0.0637794 3.2203471 32 Si 2.9481650 -0.2654843 -0.1829621 0.2522754 3.1876879 -0.0488370 -0.1095386 0.0637794 3.2203471 33 Si 2.9481650 0.2654843 -0.1829621 -0.2522754 3.1876879 0.0488370 -0.1095386 -0.0637794 3.2203471 34 Si 2.9481650 0.2654843 0.1829621 -0.2522754 3.1876879 -0.0488370 0.1095386 0.0637794 3.2203471 35 Si 2.9481650 -0.2654843 0.1829621 0.2522754 3.1876879 0.0488370 0.1095386 -0.0637794 3.2203471 36 Si 2.9481650 -0.2654843 -0.1829621 0.2522754 3.1876879 -0.0488370 -0.1095386 0.0637794 3.2203471 ---------------------------------------------------------------------------- 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, 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[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (yyy) -0.00000002 (yyy) -0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zy) -0.00000001 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:38:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:38:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.675089730000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.795616690000001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.679253010000000 Atomic positions (fractional): 1 Li 0.40210820946954 0.69293679709491 0.44923182991909 6.941 2 Li 0.59789179053046 0.69293679709491 0.05076817008091 6.941 3 Li 0.90210820946954 0.80706320290509 0.55076817008091 6.941 4 Li 0.09789179053046 0.80706320290509 0.94923182991909 6.941 5 Li 0.59789179053046 0.30706320290509 0.55076817008091 6.941 6 Li 0.40210820946954 0.30706320290509 0.94923182991909 6.941 7 Li 0.09789179053046 0.19293679709491 0.44923182991909 6.941 8 Li 0.90210820946954 0.19293679709491 0.05076817008091 6.941 9 O 0.85185971966926 0.64541197608605 0.86162499702772 15.999 10 O 0.14814028033074 0.35458802391395 0.13837500297228 15.999 11 O 0.85185971966926 0.35458802391395 0.36162499702772 15.999 12 O 0.64814028033074 0.14541197608605 0.86162499702772 15.999 13 O 0.35185971966926 0.14541197608605 0.63837500297228 15.999 14 O 0.00000000000000 0.24195968480579 0.75000000000000 15.999 15 O 0.14814028033074 0.64541197608605 0.63837500297228 15.999 16 O 0.35185971966926 0.85458802391395 0.13837500297228 15.999 17 O 0.00000000000000 0.75804031519421 0.25000000000000 15.999 18 O 0.50000000000000 0.74195968480579 0.75000000000000 15.999 19 O 0.57714649186582 0.71032458945253 0.56753217089075 15.999 20 O 0.50000000000000 0.25804031519421 0.25000000000000 15.999 21 O 0.07714649186582 0.78967541054747 0.43246782910925 15.999 22 O 0.92285350813418 0.78967541054747 0.06753217089075 15.999 23 O 0.57714649186582 0.28967541054747 0.06753217089075 15.999 24 O 0.42285350813418 0.71032458945253 0.93246782910925 15.999 25 O 0.92285350813418 0.21032458945253 0.56753217089075 15.999 26 O 0.07714649186582 0.21032458945253 0.93246782910925 15.999 27 O 0.42285350813418 0.28967541054747 0.43246782910925 15.999 28 O 0.64814028033074 0.85458802391395 0.36162499702772 15.999 29 Si 0.90660779814501 0.69298057352228 0.35214765095252 28.085 30 Si 0.40660779814501 0.19298057352227 0.14785234904748 28.085 31 Si 0.59339220185499 0.19298057352227 0.35214765095252 28.085 32 Si 0.90660779814501 0.30701942647773 0.85214765095252 28.085 33 Si 0.09339220185499 0.30701942647773 0.64785234904748 28.085 34 Si 0.59339220185499 0.80701942647772 0.85214765095252 28.085 35 Si 0.40660779814501 0.80701942647772 0.64785234904748 28.085 36 Si 0.09339220185499 0.69298057352228 0.14785234904748 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.350179460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.591233380000002 0.000000000000000 c 0.000000000000000 0.000000000000000 14.679253010000000 Atomic positions (fractional): 1 Li 0.20105410473477 0.34646839854746 0.44923182991909 6.941 > 1 2 Li 0.70105410473477 0.34646839854746 0.44923182991909 6.941 > 1 3 Li 0.20105410473477 0.84646839854746 0.44923182991909 6.941 > 1 4 Li 0.70105410473477 0.84646839854746 0.44923182991909 6.941 > 1 5 Li 0.29894589526523 0.34646839854746 0.05076817008091 6.941 > 5 6 Li 0.79894589526523 0.34646839854746 0.05076817008091 6.941 > 5 7 Li 0.29894589526523 0.84646839854746 0.05076817008091 6.941 > 5 8 Li 0.79894589526523 0.84646839854746 0.05076817008091 6.941 > 5 9 Li 0.45105410473477 0.40353160145254 0.55076817008091 6.941 > 9 10 Li 0.95105410473477 0.40353160145254 0.55076817008091 6.941 > 9 11 Li 0.45105410473477 0.90353160145254 0.55076817008091 6.941 > 9 12 Li 0.95105410473477 0.90353160145254 0.55076817008091 6.941 > 9 13 Li 0.04894589526523 0.40353160145254 0.94923182991909 6.941 > 13 14 Li 0.54894589526523 0.40353160145254 0.94923182991909 6.941 > 13 15 Li 0.04894589526523 0.90353160145254 0.94923182991909 6.941 > 13 16 Li 0.54894589526523 0.90353160145254 0.94923182991909 6.941 > 13 17 Li 0.29894589526523 0.15353160145254 0.55076817008091 6.941 > 17 18 Li 0.79894589526523 0.15353160145254 0.55076817008091 6.941 > 17 19 Li 0.29894589526523 0.65353160145254 0.55076817008091 6.941 > 17 20 Li 0.79894589526523 0.65353160145254 0.55076817008091 6.941 > 17 21 Li 0.20105410473477 0.15353160145254 0.94923182991909 6.941 > 21 22 Li 0.70105410473477 0.15353160145254 0.94923182991909 6.941 > 21 23 Li 0.20105410473477 0.65353160145254 0.94923182991909 6.941 > 21 24 Li 0.70105410473477 0.65353160145254 0.94923182991909 6.941 > 21 25 Li 0.04894589526523 0.09646839854746 0.44923182991909 6.941 > 25 26 Li 0.54894589526523 0.09646839854746 0.44923182991909 6.941 > 25 27 Li 0.04894589526523 0.59646839854746 0.44923182991909 6.941 > 25 28 Li 0.54894589526523 0.59646839854746 0.44923182991909 6.941 > 25 29 Li 0.45105410473477 0.09646839854746 0.05076817008091 6.941 > 29 30 Li 0.95105410473477 0.09646839854746 0.05076817008091 6.941 > 29 31 Li 0.45105410473477 0.59646839854746 0.05076817008091 6.941 > 29 32 Li 0.95105410473477 0.59646839854746 0.05076817008091 6.941 > 29 33 O 0.42592985983463 0.32270598804303 0.86162499702772 15.999 > 33 34 O 0.92592985983463 0.32270598804303 0.86162499702772 15.999 > 33 35 O 0.42592985983463 0.82270598804303 0.86162499702772 15.999 > 33 36 O 0.92592985983463 0.82270598804303 0.86162499702772 15.999 > 33 37 O 0.07407014016537 0.17729401195697 0.13837500297228 15.999 > 37 38 O 0.57407014016537 0.17729401195697 0.13837500297228 15.999 > 37 39 O 0.07407014016537 0.67729401195697 0.13837500297228 15.999 > 37 40 O 0.57407014016537 0.67729401195697 0.13837500297228 15.999 > 37 41 O 0.42592985983463 0.17729401195697 0.36162499702772 15.999 > 41 42 O 0.92592985983463 0.17729401195697 0.36162499702772 15.999 > 41 43 O 0.42592985983463 0.67729401195697 0.36162499702772 15.999 > 41 44 O 0.92592985983463 0.67729401195697 0.36162499702772 15.999 > 41 45 O 0.32407014016537 0.07270598804303 0.86162499702772 15.999 > 45 46 O 0.82407014016537 0.07270598804303 0.86162499702772 15.999 > 45 47 O 0.32407014016537 0.57270598804303 0.86162499702772 15.999 > 45 48 O 0.82407014016537 0.57270598804303 0.86162499702772 15.999 > 45 49 O 0.17592985983463 0.07270598804303 0.63837500297228 15.999 > 49 50 O 0.67592985983463 0.07270598804303 0.63837500297228 15.999 > 49 51 O 0.17592985983463 0.57270598804303 0.63837500297228 15.999 > 49 52 O 0.67592985983463 0.57270598804303 0.63837500297228 15.999 > 49 53 O 0.00000000000000 0.12097984240289 0.75000000000000 15.999 > 53 54 O 0.50000000000000 0.12097984240289 0.75000000000000 15.999 > 53 55 O 0.00000000000000 0.62097984240289 0.75000000000000 15.999 > 53 56 O 0.50000000000000 0.62097984240289 0.75000000000000 15.999 > 53 57 O 0.07407014016537 0.32270598804303 0.63837500297228 15.999 > 57 58 O 0.57407014016537 0.32270598804303 0.63837500297228 15.999 > 57 59 O 0.07407014016537 0.82270598804303 0.63837500297228 15.999 > 57 60 O 0.57407014016537 0.82270598804303 0.63837500297228 15.999 > 57 61 O 0.17592985983463 0.42729401195697 0.13837500297228 15.999 > 61 62 O 0.67592985983463 0.42729401195697 0.13837500297228 15.999 > 61 63 O 0.17592985983463 0.92729401195697 0.13837500297228 15.999 > 61 64 O 0.67592985983463 0.92729401195697 0.13837500297228 15.999 > 61 65 O 0.00000000000000 0.37902015759711 0.25000000000000 15.999 > 65 66 O 0.50000000000000 0.37902015759711 0.25000000000000 15.999 > 65 67 O 0.00000000000000 0.87902015759711 0.25000000000000 15.999 > 65 68 O 0.50000000000000 0.87902015759711 0.25000000000000 15.999 > 65 69 O 0.25000000000000 0.37097984240289 0.75000000000000 15.999 > 69 70 O 0.75000000000000 0.37097984240289 0.75000000000000 15.999 > 69 71 O 0.25000000000000 0.87097984240289 0.75000000000000 15.999 > 69 72 O 0.75000000000000 0.87097984240289 0.75000000000000 15.999 > 69 73 O 0.28857324593291 0.35516229472626 0.56753217089075 15.999 > 73 74 O 0.78857324593291 0.35516229472626 0.56753217089075 15.999 > 73 75 O 0.28857324593291 0.85516229472626 0.56753217089075 15.999 > 73 76 O 0.78857324593291 0.85516229472626 0.56753217089075 15.999 > 73 77 O 0.25000000000000 0.12902015759711 0.25000000000000 15.999 > 77 78 O 0.75000000000000 0.12902015759711 0.25000000000000 15.999 > 77 79 O 0.25000000000000 0.62902015759711 0.25000000000000 15.999 > 77 80 O 0.75000000000000 0.62902015759711 0.25000000000000 15.999 > 77 81 O 0.03857324593291 0.39483770527374 0.43246782910925 15.999 > 81 82 O 0.53857324593291 0.39483770527374 0.43246782910925 15.999 > 81 83 O 0.03857324593291 0.89483770527374 0.43246782910925 15.999 > 81 84 O 0.53857324593291 0.89483770527374 0.43246782910925 15.999 > 81 85 O 0.46142675406709 0.39483770527374 0.06753217089075 15.999 > 85 86 O 0.96142675406709 0.39483770527374 0.06753217089075 15.999 > 85 87 O 0.46142675406709 0.89483770527374 0.06753217089075 15.999 > 85 88 O 0.96142675406709 0.89483770527374 0.06753217089075 15.999 > 85 89 O 0.28857324593291 0.14483770527374 0.06753217089075 15.999 > 89 90 O 0.78857324593291 0.14483770527374 0.06753217089075 15.999 > 89 91 O 0.28857324593291 0.64483770527374 0.06753217089075 15.999 > 89 92 O 0.78857324593291 0.64483770527374 0.06753217089075 15.999 > 89 93 O 0.21142675406709 0.35516229472626 0.93246782910925 15.999 > 93 94 O 0.71142675406709 0.35516229472626 0.93246782910925 15.999 > 93 95 O 0.21142675406709 0.85516229472626 0.93246782910925 15.999 > 93 96 O 0.71142675406709 0.85516229472626 0.93246782910925 15.999 > 93 97 O 0.46142675406709 0.10516229472626 0.56753217089075 15.999 > 97 98 O 0.96142675406709 0.10516229472626 0.56753217089075 15.999 > 97 99 O 0.46142675406709 0.60516229472626 0.56753217089075 15.999 > 97 100 O 0.96142675406709 0.60516229472626 0.56753217089075 15.999 > 97 101 O 0.03857324593291 0.10516229472626 0.93246782910925 15.999 > 101 102 O 0.53857324593291 0.10516229472626 0.93246782910925 15.999 > 101 103 O 0.03857324593291 0.60516229472626 0.93246782910925 15.999 > 101 104 O 0.53857324593291 0.60516229472626 0.93246782910925 15.999 > 101 105 O 0.21142675406709 0.14483770527374 0.43246782910925 15.999 > 105 106 O 0.71142675406709 0.14483770527374 0.43246782910925 15.999 > 105 107 O 0.21142675406709 0.64483770527374 0.43246782910925 15.999 > 105 108 O 0.71142675406709 0.64483770527374 0.43246782910925 15.999 > 105 109 O 0.32407014016537 0.42729401195697 0.36162499702772 15.999 > 109 110 O 0.82407014016537 0.42729401195697 0.36162499702772 15.999 > 109 111 O 0.32407014016537 0.92729401195697 0.36162499702772 15.999 > 109 112 O 0.82407014016537 0.92729401195697 0.36162499702772 15.999 > 109 113 Si 0.45330389907251 0.34649028676114 0.35214765095252 28.085 > 113 114 Si 0.95330389907251 0.34649028676114 0.35214765095252 28.085 > 113 115 Si 0.45330389907251 0.84649028676114 0.35214765095252 28.085 > 113 116 Si 0.95330389907251 0.84649028676114 0.35214765095252 28.085 > 113 117 Si 0.20330389907251 0.09649028676114 0.14785234904748 28.085 > 117 118 Si 0.70330389907251 0.09649028676114 0.14785234904748 28.085 > 117 119 Si 0.20330389907251 0.59649028676114 0.14785234904748 28.085 > 117 120 Si 0.70330389907251 0.59649028676114 0.14785234904748 28.085 > 117 121 Si 0.29669610092749 0.09649028676114 0.35214765095252 28.085 > 121 122 Si 0.79669610092749 0.09649028676114 0.35214765095252 28.085 > 121 123 Si 0.29669610092749 0.59649028676114 0.35214765095252 28.085 > 121 124 Si 0.79669610092749 0.59649028676114 0.35214765095252 28.085 > 121 125 Si 0.45330389907251 0.15350971323886 0.85214765095252 28.085 > 125 126 Si 0.95330389907251 0.15350971323886 0.85214765095252 28.085 > 125 127 Si 0.45330389907251 0.65350971323886 0.85214765095252 28.085 > 125 128 Si 0.95330389907251 0.65350971323886 0.85214765095252 28.085 > 125 129 Si 0.04669610092750 0.15350971323886 0.64785234904748 28.085 > 129 130 Si 0.54669610092749 0.15350971323886 0.64785234904748 28.085 > 129 131 Si 0.04669610092750 0.65350971323886 0.64785234904748 28.085 > 129 132 Si 0.54669610092749 0.65350971323886 0.64785234904748 28.085 > 129 133 Si 0.29669610092749 0.40350971323886 0.85214765095252 28.085 > 133 134 Si 0.79669610092749 0.40350971323886 0.85214765095252 28.085 > 133 135 Si 0.29669610092749 0.90350971323886 0.85214765095252 28.085 > 133 136 Si 0.79669610092749 0.90350971323886 0.85214765095252 28.085 > 133 137 Si 0.20330389907251 0.40350971323886 0.64785234904748 28.085 > 137 138 Si 0.70330389907251 0.40350971323886 0.64785234904748 28.085 > 137 139 Si 0.20330389907251 0.90350971323886 0.64785234904748 28.085 > 137 140 Si 0.70330389907251 0.90350971323886 0.64785234904748 28.085 > 137 141 Si 0.04669610092750 0.34649028676114 0.14785234904748 28.085 > 141 142 Si 0.54669610092749 0.34649028676114 0.14785234904748 28.085 > 141 143 Si 0.04669610092750 0.84649028676114 0.14785234904748 28.085 > 141 144 Si 0.54669610092749 0.84649028676114 0.14785234904748 28.085 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5322329 0.0000000 0.0000000 0.0000000 2.6104462 0.0000000 0.0000000 0.0000000 2.6089810 -------------------------- Born effective charges -------------------------- 1 Li 1.0524069 -0.0212492 -0.0512097 0.0424277 1.0381540 -0.0216320 0.0553939 0.0036382 1.0250900 2 Li 1.0524069 0.0212492 -0.0512097 -0.0424277 1.0381540 0.0216320 0.0553939 -0.0036382 1.0250900 3 Li 1.0524069 0.0212492 0.0512097 -0.0424277 1.0381540 -0.0216320 -0.0553939 0.0036382 1.0250900 4 Li 1.0524069 -0.0212492 0.0512097 0.0424277 1.0381540 0.0216320 -0.0553939 -0.0036382 1.0250900 5 Li 1.0524069 -0.0212492 -0.0512097 0.0424277 1.0381540 -0.0216320 0.0553939 0.0036382 1.0250900 6 Li 1.0524069 0.0212492 -0.0512097 -0.0424277 1.0381540 0.0216320 0.0553939 -0.0036382 1.0250900 7 Li 1.0524069 0.0212492 0.0512097 -0.0424277 1.0381540 -0.0216320 -0.0553939 0.0036382 1.0250900 8 Li 1.0524069 -0.0212492 0.0512097 0.0424277 1.0381540 0.0216320 -0.0553939 -0.0036382 1.0250900 9 O -1.7362070 0.5836687 -0.0952794 0.6157273 -2.2299903 -0.0371778 -0.0851870 -0.0888223 -1.1392142 10 O -1.7362070 0.5836687 -0.0952794 0.6157273 -2.2299903 -0.0371778 -0.0851870 -0.0888223 -1.1392142 11 O -1.7362070 -0.5836687 -0.0952794 -0.6157273 -2.2299903 0.0371778 -0.0851870 0.0888223 -1.1392142 12 O -1.7362070 -0.5836687 0.0952794 -0.6157273 -2.2299903 -0.0371778 0.0851870 -0.0888223 -1.1392142 13 O -1.7362070 0.5836687 0.0952794 0.6157273 -2.2299903 0.0371778 0.0851870 0.0888223 -1.1392142 14 O -1.2783461 0.0000000 0.8047389 0.0000000 -1.0814776 -0.0000000 0.6095698 0.0000000 -2.8419063 15 O -1.7362070 -0.5836687 -0.0952794 -0.6157273 -2.2299903 0.0371778 -0.0851870 0.0888223 -1.1392142 16 O -1.7362070 -0.5836687 0.0952794 -0.6157273 -2.2299903 -0.0371778 0.0851870 -0.0888223 -1.1392142 17 O -1.2783461 0.0000000 0.8047389 0.0000000 -1.0814776 -0.0000000 0.6095698 0.0000000 -2.8419063 18 O -1.2783461 0.0000000 -0.8047389 0.0000000 -1.0814776 -0.0000000 -0.6095698 0.0000000 -2.8419063 19 O -1.6251918 0.1097042 0.2974870 0.0173043 -1.4551128 -0.1121269 0.2555332 -0.1635542 -1.6852697 20 O -1.2783461 0.0000000 -0.8047389 0.0000000 -1.0814776 -0.0000000 -0.6095698 0.0000000 -2.8419063 21 O -1.6251918 -0.1097042 -0.2974870 -0.0173043 -1.4551128 -0.1121269 -0.2555332 -0.1635542 -1.6852697 22 O -1.6251918 0.1097042 -0.2974870 0.0173043 -1.4551128 0.1121269 -0.2555332 0.1635542 -1.6852697 23 O -1.6251918 -0.1097042 0.2974870 -0.0173043 -1.4551128 0.1121269 0.2555332 0.1635542 -1.6852697 24 O -1.6251918 -0.1097042 0.2974870 -0.0173043 -1.4551128 0.1121269 0.2555332 0.1635542 -1.6852697 25 O -1.6251918 -0.1097042 -0.2974870 -0.0173043 -1.4551128 -0.1121269 -0.2555332 -0.1635542 -1.6852697 26 O -1.6251918 0.1097042 -0.2974870 0.0173043 -1.4551128 0.1121269 -0.2555332 0.1635542 -1.6852697 27 O -1.6251918 0.1097042 0.2974870 0.0173043 -1.4551128 -0.1121269 0.2555332 -0.1635542 -1.6852697 28 O -1.7362070 0.5836687 0.0952794 0.6157273 -2.2299903 0.0371778 0.0851870 0.0888223 -1.1392142 29 Si 2.9481650 0.2654843 -0.1829621 -0.2522754 3.1876879 0.0488370 -0.1095386 -0.0637794 3.2203471 30 Si 2.9481650 0.2654843 0.1829621 -0.2522754 3.1876879 -0.0488370 0.1095386 0.0637794 3.2203471 31 Si 2.9481650 -0.2654843 0.1829621 0.2522754 3.1876879 0.0488370 0.1095386 -0.0637794 3.2203471 32 Si 2.9481650 -0.2654843 -0.1829621 0.2522754 3.1876879 -0.0488370 -0.1095386 0.0637794 3.2203471 33 Si 2.9481650 0.2654843 -0.1829621 -0.2522754 3.1876879 0.0488370 -0.1095386 -0.0637794 3.2203471 34 Si 2.9481650 0.2654843 0.1829621 -0.2522754 3.1876879 -0.0488370 0.1095386 0.0637794 3.2203471 35 Si 2.9481650 -0.2654843 0.1829621 0.2522754 3.1876879 0.0488370 0.1095386 -0.0637794 3.2203471 36 Si 2.9481650 -0.2654843 -0.1829621 0.2522754 3.1876879 -0.0488370 -0.1095386 0.0637794 3.2203471 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (yyy) -0.00000002 (yyy) -0.00000002 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 10 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: 0.56, Number of G-points: 295, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.000 ( 0.000 0.000 0.000) 0.000 2.326 ( 0.000 0.000 0.000) 0.000 2.664 ( 0.000 0.000 0.000) 0.000 2.670 ( 0.000 0.000 0.000) 0.000 2.919 ( 0.000 0.000 0.000) 0.000 3.422 ( 0.000 0.000 0.000) 0.000 3.880 ( 0.000 0.000 0.000) 0.000 4.182 ( 0.000 0.000 0.000) 0.000 4.632 ( 0.000 0.000 0.000) 0.000 4.694 ( 0.000 0.000 0.000) 0.000 4.859 ( 0.000 0.000 0.000) 0.000 5.451 ( 0.000 0.000 0.000) 0.000 5.751 ( 0.000 0.000 0.000) 0.000 6.232 ( 0.000 0.000 0.000) 0.000 6.670 ( 0.000 0.000 0.000) 0.000 7.094 ( 0.000 0.000 0.000) 0.000 7.198 ( 0.000 0.000 0.000) 0.000 7.524 ( 0.000 0.000 0.000) 0.000 7.620 ( 0.000 0.000 0.000) 0.000 7.728 ( 0.000 0.000 0.000) 0.000 8.298 ( 0.000 0.000 0.000) 0.000 8.468 ( 0.000 0.000 0.000) 0.000 8.523 ( 0.000 0.000 0.000) 0.000 8.760 ( 0.000 0.000 0.000) 0.000 8.971 ( 0.000 0.000 0.000) 0.000 9.243 ( 0.000 0.000 0.000) 0.000 9.910 ( 0.000 0.000 0.000) 0.000 9.964 ( 0.000 0.000 0.000) 0.000 10.054 ( 0.000 0.000 0.000) 0.000 10.243 ( 0.000 0.000 0.000) 0.000 10.292 ( 0.000 0.000 0.000) 0.000 10.448 ( 0.000 0.000 0.000) 0.000 10.622 ( 0.000 0.000 0.000) 0.000 10.674 ( 0.000 0.000 0.000) 0.000 10.696 ( 0.000 0.000 0.000) 0.000 10.715 ( 0.000 0.000 0.000) 0.000 10.850 ( 0.000 0.000 0.000) 0.000 10.914 ( 0.000 0.000 0.000) 0.000 10.923 ( 0.000 0.000 0.000) 0.000 11.221 ( 0.000 0.000 0.000) 0.000 11.263 ( 0.000 0.000 0.000) 0.000 11.267 ( 0.000 0.000 0.000) 0.000 11.621 ( 0.000 0.000 0.000) 0.000 11.830 ( 0.000 0.000 0.000) 0.000 11.862 ( 0.000 0.000 0.000) 0.000 11.886 ( 0.000 0.000 0.000) 0.000 12.091 ( 0.000 0.000 0.000) 0.000 12.244 ( 0.000 0.000 0.000) 0.000 12.245 ( 0.000 0.000 0.000) 0.000 12.323 ( 0.000 0.000 0.000) 0.000 12.508 ( 0.000 0.000 0.000) 0.000 12.522 ( 0.000 0.000 0.000) 0.000 12.768 ( 0.000 0.000 0.000) 0.000 12.782 ( 0.000 0.000 0.000) 0.000 13.279 ( 0.000 0.000 0.000) 0.000 13.496 ( 0.000 0.000 0.000) 0.000 13.695 ( 0.000 0.000 0.000) 0.000 13.858 ( 0.000 0.000 0.000) 0.000 13.947 ( 0.000 0.000 0.000) 0.000 14.029 ( 0.000 0.000 0.000) 0.000 14.134 ( 0.000 0.000 0.000) 0.000 14.162 ( 0.000 0.000 0.000) 0.000 14.370 ( 0.000 0.000 0.000) 0.000 14.554 ( 0.000 0.000 0.000) 0.000 14.602 ( 0.000 0.000 0.000) 0.000 14.819 ( 0.000 0.000 0.000) 0.000 15.578 ( 0.000 0.000 0.000) 0.000 15.638 ( 0.000 0.000 0.000) 0.000 15.746 ( 0.000 0.000 0.000) 0.000 15.802 ( 0.000 0.000 0.000) 0.000 15.962 ( 0.000 0.000 0.000) 0.000 16.132 ( 0.000 0.000 0.000) 0.000 16.696 ( 0.000 0.000 0.000) 0.000 16.814 ( 0.000 0.000 0.000) 0.000 16.932 ( 0.000 0.000 0.000) 0.000 18.137 ( 0.000 0.000 0.000) 0.000 18.545 ( 0.000 0.000 0.000) 0.000 19.310 ( 0.000 0.000 0.000) 0.000 19.430 ( 0.000 0.000 0.000) 0.000 22.365 ( 0.000 0.000 0.000) 0.000 22.501 ( 0.000 0.000 0.000) 0.000 22.665 ( 0.000 0.000 0.000) 0.000 22.684 ( 0.000 0.000 0.000) 0.000 22.814 ( 0.000 0.000 0.000) 0.000 22.960 ( 0.000 0.000 0.000) 0.000 27.516 ( 0.000 0.000 0.000) 0.000 27.520 ( 0.000 0.000 0.000) 0.000 27.584 ( 0.000 0.000 0.000) 0.000 27.584 ( 0.000 0.000 0.000) 0.000 27.968 ( 0.000 0.000 0.000) 0.000 28.011 ( 0.000 0.000 0.000) 0.000 29.261 ( 0.000 0.000 0.000) 0.000 29.435 ( 0.000 0.000 0.000) 0.000 29.508 ( 0.000 0.000 0.000) 0.000 29.554 ( 0.000 0.000 0.000) 0.000 29.868 ( 0.000 0.000 0.000) 0.000 30.086 ( 0.000 0.000 0.000) 0.000 30.442 ( 0.000 0.000 0.000) 0.000 30.834 ( 0.000 0.000 0.000) 0.000 31.797 ( 0.000 0.000 0.000) 0.000 32.190 ( 0.000 0.000 0.000) 0.000 33.449 ( 0.000 0.000 0.000) 0.000 33.523 ( 0.000 0.000 0.000) 0.000 34.784 ( 0.000 0.000 0.000) 0.000 37.445 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 37.666 0.000 0.000) 37.666 1.001 ( 50.516 0.000 0.000) 50.516 1.309 ( 61.745 0.000 0.000) 61.745 2.204 ( 19.132 0.000 0.000) 19.132 2.374 ( 6.368 0.000 0.000) 6.368 2.575 ( -19.393 0.000 0.000) 19.393 2.652 ( 0.248 0.000 0.000) 0.248 2.796 ( 12.570 0.000 0.000) 12.570 3.835 ( 21.176 0.000 0.000) 21.176 3.981 ( 1.779 0.000 0.000) 1.779 4.109 ( 0.262 0.000 0.000) 0.262 4.581 ( -2.653 0.000 0.000) 2.653 4.663 ( 3.161 0.000 0.000) 3.161 4.815 ( -3.761 0.000 0.000) 3.761 5.365 ( -9.382 0.000 0.000) 9.382 5.620 ( -13.132 0.000 0.000) 13.132 6.490 ( 24.186 0.000 0.000) 24.186 6.832 ( 13.024 0.000 0.000) 13.024 6.880 ( -13.971 0.000 0.000) 13.971 7.249 ( 5.741 0.000 0.000) 5.741 7.471 ( -19.368 0.000 0.000) 19.368 7.490 ( -4.150 0.000 0.000) 4.150 7.944 ( 24.922 0.000 0.000) 24.922 8.376 ( 6.236 0.000 0.000) 6.236 8.403 ( -6.361 0.000 0.000) 6.361 8.616 ( -13.587 0.000 0.000) 13.587 8.707 ( -21.741 0.000 0.000) 21.741 8.781 ( 16.805 0.000 0.000) 16.805 9.227 ( -17.019 0.000 0.000) 17.019 9.702 ( -11.586 0.000 0.000) 11.586 9.859 ( -4.416 0.000 0.000) 4.416 10.137 ( -5.813 0.000 0.000) 5.813 10.163 ( -8.309 0.000 0.000) 8.309 10.421 ( 5.860 0.000 0.000) 5.860 10.546 ( 8.158 0.000 0.000) 8.158 10.574 ( -6.137 0.000 0.000) 6.137 10.584 ( -11.620 0.000 0.000) 11.620 10.740 ( -0.704 0.000 0.000) 0.704 10.804 ( 17.373 0.000 0.000) 17.373 10.850 ( -6.407 0.000 0.000) 6.407 10.930 ( 1.821 0.000 0.000) 1.821 10.939 ( 6.891 0.000 0.000) 6.891 11.238 ( -2.445 0.000 0.000) 2.445 11.266 ( 2.860 0.000 0.000) 2.860 11.287 ( 2.219 0.000 0.000) 2.219 11.719 ( 6.262 0.000 0.000) 6.262 11.774 ( -6.536 0.000 0.000) 6.536 11.880 ( 6.328 0.000 0.000) 6.328 11.881 ( 0.879 0.000 0.000) 0.879 12.104 ( -6.932 0.000 0.000) 6.932 12.207 ( 8.022 0.000 0.000) 8.022 12.380 ( 4.824 0.000 0.000) 4.824 12.395 ( 2.979 0.000 0.000) 2.979 12.456 ( -6.311 0.000 0.000) 6.311 12.489 ( 2.779 0.000 0.000) 2.779 12.541 ( -11.837 0.000 0.000) 11.837 13.042 ( 11.805 0.000 0.000) 11.805 13.304 ( -15.911 0.000 0.000) 15.911 13.368 ( 8.657 0.000 0.000) 8.657 13.461 ( -15.447 0.000 0.000) 15.447 13.968 ( 1.742 0.000 0.000) 1.742 14.059 ( 11.900 0.000 0.000) 11.900 14.131 ( -1.111 0.000 0.000) 1.111 14.196 ( 3.232 0.000 0.000) 3.232 14.285 ( -7.796 0.000 0.000) 7.796 14.426 ( -11.482 0.000 0.000) 11.482 14.587 ( -1.386 0.000 0.000) 1.386 14.828 ( 0.906 0.000 0.000) 0.906 15.507 ( -21.698 0.000 0.000) 21.698 15.538 ( 5.944 0.000 0.000) 5.944 15.623 ( -0.039 0.000 0.000) 0.039 15.869 ( -9.040 0.000 0.000) 9.040 15.916 ( -11.365 0.000 0.000) 11.365 16.040 ( 19.633 0.000 0.000) 19.633 16.510 ( -13.631 0.000 0.000) 13.631 16.609 ( 19.061 0.000 0.000) 19.061 16.982 ( 11.420 0.000 0.000) 11.420 16.986 ( 4.959 0.000 0.000) 4.959 17.968 ( -14.911 0.000 0.000) 14.911 18.111 ( -30.133 0.000 0.000) 30.133 19.646 ( 19.573 0.000 0.000) 19.573 19.793 ( 34.697 0.000 0.000) 34.697 22.432 ( -7.058 0.000 0.000) 7.058 22.598 ( -8.481 0.000 0.000) 8.481 22.690 ( 2.436 0.000 0.000) 2.436 22.830 ( 1.596 0.000 0.000) 1.596 22.949 ( -0.597 0.000 0.000) 0.597 23.138 ( -0.617 0.000 0.000) 0.617 27.518 ( 0.196 0.000 0.000) 0.196 27.521 ( 0.129 0.000 0.000) 0.129 27.577 ( -0.458 0.000 0.000) 0.458 27.582 ( -0.221 0.000 0.000) 0.221 28.119 ( 5.281 0.000 0.000) 5.281 28.122 ( 9.821 0.000 0.000) 9.821 29.436 ( -6.812 0.000 0.000) 6.812 29.470 ( -7.643 0.000 0.000) 7.643 29.574 ( 13.426 0.000 0.000) 13.426 29.928 ( 5.953 0.000 0.000) 5.953 30.131 ( 4.887 0.000 0.000) 4.887 30.575 ( 12.280 0.000 0.000) 12.280 30.896 ( 5.767 0.000 0.000) 5.767 31.726 ( -6.965 0.000 0.000) 6.965 32.063 ( -11.559 0.000 0.000) 11.559 32.551 ( -4.414 0.000 0.000) 4.414 33.552 ( 3.907 0.000 0.000) 3.907 33.632 ( 10.128 0.000 0.000) 10.128 34.737 ( -4.642 0.000 0.000) 4.642 37.200 ( -23.720 0.000 0.000) 23.720 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 37.127 0.000 0.000) 37.127 1.961 ( 47.011 0.000 0.000) 47.011 2.077 ( 12.889 0.000 0.000) 12.889 2.374 ( 0.659 0.000 0.000) 0.659 2.658 ( 24.898 0.000 0.000) 24.898 2.747 ( 9.984 0.000 0.000) 9.984 2.892 ( 47.862 0.000 0.000) 47.862 3.117 ( 20.322 0.000 0.000) 20.322 3.699 ( -24.352 0.000 0.000) 24.352 3.816 ( -7.376 0.000 0.000) 7.376 4.499 ( 19.323 0.000 0.000) 19.323 4.746 ( 4.362 0.000 0.000) 4.362 4.763 ( 3.165 0.000 0.000) 3.165 4.850 ( 23.848 0.000 0.000) 23.848 5.064 ( -20.973 0.000 0.000) 20.973 5.278 ( -19.385 0.000 0.000) 19.385 6.645 ( -10.426 0.000 0.000) 10.426 7.033 ( 6.063 0.000 0.000) 6.063 7.086 ( 34.650 0.000 0.000) 34.650 7.118 ( -16.020 0.000 0.000) 16.020 7.352 ( -9.396 0.000 0.000) 9.396 7.424 ( 9.489 0.000 0.000) 9.489 8.030 ( -32.542 0.000 0.000) 32.542 8.230 ( -10.697 0.000 0.000) 10.697 8.310 ( -14.474 0.000 0.000) 14.474 8.464 ( 26.581 0.000 0.000) 26.581 8.753 ( 19.254 0.000 0.000) 19.254 8.809 ( -19.348 0.000 0.000) 19.348 8.953 ( -5.904 0.000 0.000) 5.904 9.640 ( 3.058 0.000 0.000) 3.058 9.766 ( -4.404 0.000 0.000) 4.404 9.934 ( -14.058 0.000 0.000) 14.058 10.057 ( 2.882 0.000 0.000) 2.882 10.313 ( -15.219 0.000 0.000) 15.219 10.423 ( -9.348 0.000 0.000) 9.348 10.475 ( 0.217 0.000 0.000) 0.217 10.682 ( 3.731 0.000 0.000) 3.731 10.710 ( -1.410 0.000 0.000) 1.410 10.723 ( -5.929 0.000 0.000) 5.929 11.002 ( 5.572 0.000 0.000) 5.572 11.017 ( 0.719 0.000 0.000) 0.719 11.154 ( 10.558 0.000 0.000) 10.558 11.175 ( -3.417 0.000 0.000) 3.417 11.308 ( 6.485 0.000 0.000) 6.485 11.321 ( 0.484 0.000 0.000) 0.484 11.572 ( -10.865 0.000 0.000) 10.865 11.874 ( 4.752 0.000 0.000) 4.752 11.937 ( 4.728 0.000 0.000) 4.728 11.966 ( -7.027 0.000 0.000) 7.027 12.111 ( 16.078 0.000 0.000) 16.078 12.258 ( -8.638 0.000 0.000) 8.638 12.283 ( -9.678 0.000 0.000) 9.678 12.345 ( -7.816 0.000 0.000) 7.816 12.392 ( 6.218 0.000 0.000) 6.218 12.444 ( -0.568 0.000 0.000) 0.568 12.694 ( 13.166 0.000 0.000) 13.166 13.030 ( -8.233 0.000 0.000) 8.233 13.151 ( -15.850 0.000 0.000) 15.850 13.242 ( 8.375 0.000 0.000) 8.375 13.590 ( 13.131 0.000 0.000) 13.131 13.959 ( -5.765 0.000 0.000) 5.765 14.074 ( -10.525 0.000 0.000) 10.525 14.086 ( -2.971 0.000 0.000) 2.971 14.214 ( -5.868 0.000 0.000) 5.868 14.252 ( 0.310 0.000 0.000) 0.310 14.290 ( 9.009 0.000 0.000) 9.009 14.551 ( -2.240 0.000 0.000) 2.240 14.823 ( -6.633 0.000 0.000) 6.633 15.069 ( -13.540 0.000 0.000) 13.540 15.612 ( -2.234 0.000 0.000) 2.234 15.631 ( 0.417 0.000 0.000) 0.417 15.642 ( -13.066 0.000 0.000) 13.066 15.813 ( 4.327 0.000 0.000) 4.327 16.227 ( -14.189 0.000 0.000) 14.189 16.414 ( 14.694 0.000 0.000) 14.694 16.969 ( 16.927 0.000 0.000) 16.927 17.089 ( 3.918 0.000 0.000) 3.918 17.202 ( 10.435 0.000 0.000) 10.435 17.574 ( -22.299 0.000 0.000) 22.299 17.644 ( -16.190 0.000 0.000) 16.190 20.105 ( 25.848 0.000 0.000) 25.848 20.453 ( 31.163 0.000 0.000) 31.163 22.239 ( -11.996 0.000 0.000) 11.996 22.365 ( -15.026 0.000 0.000) 15.026 22.753 ( 3.710 0.000 0.000) 3.710 22.872 ( 2.521 0.000 0.000) 2.521 22.946 ( 0.160 0.000 0.000) 0.160 23.117 ( -1.532 0.000 0.000) 1.532 27.524 ( 0.384 0.000 0.000) 0.384 27.525 ( 0.342 0.000 0.000) 0.342 27.570 ( -0.311 0.000 0.000) 0.311 27.576 ( -0.384 0.000 0.000) 0.384 28.261 ( 8.881 0.000 0.000) 8.881 28.336 ( 11.096 0.000 0.000) 11.096 29.271 ( -9.411 0.000 0.000) 9.411 29.290 ( -10.145 0.000 0.000) 10.145 29.907 ( 18.767 0.000 0.000) 18.767 30.084 ( 9.382 0.000 0.000) 9.382 30.276 ( 9.610 0.000 0.000) 9.610 30.873 ( 17.321 0.000 0.000) 17.321 31.028 ( 6.968 0.000 0.000) 6.968 31.541 ( -11.440 0.000 0.000) 11.440 31.798 ( -14.262 0.000 0.000) 14.262 32.421 ( -8.764 0.000 0.000) 8.764 33.659 ( 6.759 0.000 0.000) 6.759 33.883 ( 14.979 0.000 0.000) 14.979 34.608 ( -8.343 0.000 0.000) 8.343 36.597 ( -35.695 0.000 0.000) 35.695 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 32.221 0.000 0.000) 32.221 2.204 ( 4.779 0.000 0.000) 4.779 2.589 ( 19.197 0.000 0.000) 19.197 2.806 ( 37.760 0.000 0.000) 37.760 2.991 ( 8.671 0.000 0.000) 8.671 3.103 ( 18.951 0.000 0.000) 18.951 3.269 ( -11.052 0.000 0.000) 11.052 3.402 ( 12.558 0.000 0.000) 12.558 3.725 ( -2.004 0.000 0.000) 2.004 3.895 ( 36.377 0.000 0.000) 36.377 4.526 ( -6.343 0.000 0.000) 6.343 4.638 ( -14.129 0.000 0.000) 14.129 4.666 ( -15.594 0.000 0.000) 15.594 5.080 ( 17.743 0.000 0.000) 17.743 5.089 ( 4.559 0.000 0.000) 4.559 5.293 ( 17.622 0.000 0.000) 17.622 6.448 ( -9.605 0.000 0.000) 9.605 6.854 ( -10.074 0.000 0.000) 10.074 7.079 ( -22.114 0.000 0.000) 22.114 7.113 ( 4.295 0.000 0.000) 4.295 7.414 ( -12.772 0.000 0.000) 12.772 7.461 ( -12.464 0.000 0.000) 12.464 7.840 ( 35.376 0.000 0.000) 35.376 7.990 ( -13.428 0.000 0.000) 13.428 8.220 ( 6.877 0.000 0.000) 6.877 8.324 ( -27.982 0.000 0.000) 27.982 8.847 ( -5.562 0.000 0.000) 5.562 8.949 ( 21.085 0.000 0.000) 21.085 9.160 ( 20.008 0.000 0.000) 20.008 9.648 ( -14.251 0.000 0.000) 14.251 9.668 ( 2.306 0.000 0.000) 2.306 9.713 ( -0.446 0.000 0.000) 0.446 10.028 ( -12.905 0.000 0.000) 12.905 10.214 ( -11.741 0.000 0.000) 11.741 10.236 ( 6.045 0.000 0.000) 6.045 10.510 ( 8.682 0.000 0.000) 8.682 10.614 ( -5.238 0.000 0.000) 5.238 10.653 ( -6.924 0.000 0.000) 6.924 10.691 ( -1.414 0.000 0.000) 1.414 10.998 ( -0.504 0.000 0.000) 0.504 11.029 ( -4.047 0.000 0.000) 4.047 11.153 ( -2.260 0.000 0.000) 2.260 11.217 ( 8.164 0.000 0.000) 8.164 11.327 ( 0.702 0.000 0.000) 0.702 11.362 ( -9.505 0.000 0.000) 9.505 11.569 ( 12.467 0.000 0.000) 12.467 11.835 ( -6.500 0.000 0.000) 6.500 11.849 ( -9.128 0.000 0.000) 9.128 12.000 ( -0.991 0.000 0.000) 0.991 12.067 ( -11.195 0.000 0.000) 11.195 12.091 ( -5.128 0.000 0.000) 5.128 12.262 ( -7.774 0.000 0.000) 7.774 12.277 ( 2.837 0.000 0.000) 2.837 12.490 ( 12.802 0.000 0.000) 12.802 12.540 ( 7.644 0.000 0.000) 7.644 12.858 ( -13.352 0.000 0.000) 13.352 12.953 ( 12.513 0.000 0.000) 12.513 13.048 ( 8.398 0.000 0.000) 8.398 13.361 ( 3.336 0.000 0.000) 3.336 13.755 ( -11.001 0.000 0.000) 11.001 13.842 ( 10.520 0.000 0.000) 10.520 13.870 ( -9.590 0.000 0.000) 9.590 14.043 ( -0.678 0.000 0.000) 0.678 14.099 ( -15.414 0.000 0.000) 15.414 14.225 ( 4.068 0.000 0.000) 4.068 14.423 ( 3.658 0.000 0.000) 3.658 14.499 ( -3.123 0.000 0.000) 3.123 14.555 ( -10.956 0.000 0.000) 10.956 15.153 ( 13.433 0.000 0.000) 13.433 15.412 ( -8.918 0.000 0.000) 8.918 15.509 ( -6.167 0.000 0.000) 6.167 15.630 ( -0.617 0.000 0.000) 0.617 15.990 ( -9.214 0.000 0.000) 9.214 16.016 ( 13.925 0.000 0.000) 13.925 16.460 ( -11.124 0.000 0.000) 11.124 17.025 ( -12.549 0.000 0.000) 12.549 17.250 ( 11.390 0.000 0.000) 11.390 17.349 ( -0.110 0.000 0.000) 0.110 17.373 ( 6.710 0.000 0.000) 6.710 17.445 ( -2.307 0.000 0.000) 2.307 20.624 ( 26.592 0.000 0.000) 26.592 20.989 ( 23.590 0.000 0.000) 23.590 21.984 ( -13.706 0.000 0.000) 13.706 22.023 ( -19.618 0.000 0.000) 19.618 22.826 ( 3.590 0.000 0.000) 3.590 22.925 ( 2.784 0.000 0.000) 2.784 22.946 ( -0.357 0.000 0.000) 0.357 23.080 ( -2.245 0.000 0.000) 2.245 27.533 ( 0.536 0.000 0.000) 0.536 27.534 ( 0.546 0.000 0.000) 0.546 27.564 ( -0.326 0.000 0.000) 0.326 27.567 ( -0.515 0.000 0.000) 0.515 28.454 ( 10.498 0.000 0.000) 10.498 28.542 ( 9.963 0.000 0.000) 9.963 29.084 ( -9.406 0.000 0.000) 9.406 29.085 ( -10.622 0.000 0.000) 10.622 30.242 ( 14.148 0.000 0.000) 14.148 30.271 ( 9.144 0.000 0.000) 9.144 30.495 ( 12.441 0.000 0.000) 12.441 31.151 ( 5.383 0.000 0.000) 5.383 31.231 ( 18.748 0.000 0.000) 18.748 31.295 ( -13.428 0.000 0.000) 13.428 31.538 ( -11.737 0.000 0.000) 11.737 32.210 ( -12.700 0.000 0.000) 12.700 33.811 ( 8.760 0.000 0.000) 8.760 34.217 ( 19.333 0.000 0.000) 19.333 34.421 ( -10.493 0.000 0.000) 10.493 35.876 ( -36.463 0.000 0.000) 36.463 ======================= Grid point 4 (5/60) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 8.460 0.000 0.000) 8.460 2.501 ( -4.160 0.000 0.000) 4.160 3.010 ( 20.527 0.000 0.000) 20.527 3.084 ( 19.619 0.000 0.000) 19.619 3.249 ( 0.505 0.000 0.000) 0.505 3.446 ( 19.357 0.000 0.000) 19.357 3.465 ( -9.190 0.000 0.000) 9.190 3.473 ( 17.643 0.000 0.000) 17.643 3.681 ( -4.932 0.000 0.000) 4.932 3.837 ( -21.563 0.000 0.000) 21.563 4.393 ( -7.320 0.000 0.000) 7.320 4.399 ( -5.362 0.000 0.000) 5.362 5.002 ( 31.362 0.000 0.000) 31.362 5.253 ( 7.889 0.000 0.000) 7.889 5.298 ( 4.179 0.000 0.000) 4.179 5.410 ( -7.753 0.000 0.000) 7.753 6.332 ( 0.893 0.000 0.000) 0.893 6.573 ( -22.930 0.000 0.000) 22.930 6.791 ( 5.271 0.000 0.000) 5.271 7.049 ( -18.453 0.000 0.000) 18.453 7.318 ( 16.564 0.000 0.000) 16.564 7.460 ( 9.094 0.000 0.000) 9.094 7.711 ( -14.671 0.000 0.000) 14.671 7.769 ( -27.346 0.000 0.000) 27.346 8.447 ( 13.335 0.000 0.000) 13.335 8.536 ( 33.038 0.000 0.000) 33.038 8.690 ( -10.748 0.000 0.000) 10.748 9.056 ( -16.200 0.000 0.000) 16.200 9.473 ( 10.942 0.000 0.000) 10.942 9.530 ( 4.514 0.000 0.000) 4.514 9.752 ( 3.597 0.000 0.000) 3.597 9.765 ( 4.412 0.000 0.000) 4.412 9.848 ( -3.331 0.000 0.000) 3.331 9.974 ( -12.204 0.000 0.000) 12.204 10.245 ( 2.211 0.000 0.000) 2.211 10.431 ( -13.769 0.000 0.000) 13.769 10.549 ( -0.247 0.000 0.000) 0.247 10.613 ( -5.614 0.000 0.000) 5.614 10.785 ( 12.881 0.000 0.000) 12.881 10.941 ( -4.843 0.000 0.000) 4.843 11.083 ( 8.381 0.000 0.000) 8.381 11.178 ( 6.034 0.000 0.000) 6.034 11.221 ( -5.579 0.000 0.000) 5.579 11.315 ( -2.199 0.000 0.000) 2.199 11.368 ( 4.811 0.000 0.000) 4.811 11.577 ( -15.327 0.000 0.000) 15.327 11.721 ( 2.630 0.000 0.000) 2.630 11.722 ( -2.337 0.000 0.000) 2.337 11.915 ( -3.715 0.000 0.000) 3.715 11.918 ( -4.325 0.000 0.000) 4.325 12.054 ( 0.353 0.000 0.000) 0.353 12.108 ( -5.602 0.000 0.000) 5.602 12.424 ( 9.818 0.000 0.000) 9.818 12.625 ( -10.719 0.000 0.000) 10.719 12.664 ( 4.319 0.000 0.000) 4.319 12.675 ( 4.171 0.000 0.000) 4.171 13.177 ( 10.174 0.000 0.000) 10.174 13.298 ( 16.334 0.000 0.000) 16.334 13.341 ( -5.741 0.000 0.000) 5.741 13.635 ( -0.186 0.000 0.000) 0.186 13.661 ( -20.040 0.000 0.000) 20.040 13.709 ( -6.607 0.000 0.000) 6.607 14.071 ( 2.864 0.000 0.000) 2.864 14.072 ( 4.875 0.000 0.000) 4.875 14.324 ( 5.532 0.000 0.000) 5.532 14.414 ( -3.665 0.000 0.000) 3.665 14.420 ( -3.464 0.000 0.000) 3.464 14.429 ( -3.649 0.000 0.000) 3.649 15.329 ( 0.386 0.000 0.000) 0.386 15.394 ( -5.227 0.000 0.000) 5.227 15.448 ( 13.738 0.000 0.000) 13.738 15.601 ( -2.970 0.000 0.000) 2.970 15.906 ( 2.379 0.000 0.000) 2.379 16.130 ( -18.076 0.000 0.000) 18.076 16.329 ( 17.700 0.000 0.000) 17.700 16.692 ( -18.908 0.000 0.000) 18.908 17.409 ( 4.898 0.000 0.000) 4.898 17.422 ( 4.130 0.000 0.000) 4.130 17.450 ( 0.234 0.000 0.000) 0.234 17.454 ( 1.289 0.000 0.000) 1.289 21.133 ( 25.224 0.000 0.000) 25.224 21.389 ( 17.803 0.000 0.000) 17.803 21.605 ( -22.859 0.000 0.000) 22.859 21.705 ( -14.890 0.000 0.000) 14.890 22.888 ( 2.655 0.000 0.000) 2.655 22.928 ( -1.481 0.000 0.000) 1.481 22.979 ( 2.756 0.000 0.000) 2.756 23.032 ( -2.609 0.000 0.000) 2.609 27.544 ( 0.617 0.000 0.000) 0.617 27.546 ( 0.597 0.000 0.000) 0.597 27.556 ( -0.544 0.000 0.000) 0.544 27.556 ( -0.540 0.000 0.000) 0.540 28.664 ( 10.856 0.000 0.000) 10.856 28.728 ( 9.133 0.000 0.000) 9.133 28.876 ( -10.769 0.000 0.000) 10.769 28.905 ( -8.990 0.000 0.000) 8.990 30.415 ( 4.759 0.000 0.000) 4.759 30.426 ( 4.270 0.000 0.000) 4.270 30.753 ( 13.697 0.000 0.000) 13.697 31.025 ( -13.974 0.000 0.000) 13.974 31.243 ( 4.484 0.000 0.000) 4.484 31.352 ( -7.232 0.000 0.000) 7.232 31.594 ( 18.071 0.000 0.000) 18.071 31.929 ( -15.910 0.000 0.000) 15.910 33.998 ( 10.249 0.000 0.000) 10.249 34.208 ( -11.003 0.000 0.000) 11.003 34.650 ( 25.129 0.000 0.000) 25.129 35.205 ( -31.580 0.000 0.000) 31.580 ======================= Grid point 9 (6/60) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 0.000 38.484 0.000) 38.484 1.057 ( 0.000 50.083 0.000) 50.083 1.352 ( 0.000 65.145 0.000) 65.145 2.154 ( 0.000 12.733 0.000) 12.733 2.493 ( 0.000 15.982 0.000) 15.982 2.606 ( 0.000 -3.931 0.000) 3.931 2.941 ( 0.000 2.054 0.000) 2.054 3.075 ( 0.000 34.562 0.000) 34.562 3.634 ( 0.000 14.310 0.000) 14.310 3.893 ( 0.000 1.071 0.000) 1.071 4.418 ( 0.000 20.843 0.000) 20.843 4.636 ( 0.000 0.644 0.000) 0.644 4.678 ( 0.000 2.058 0.000) 2.058 5.057 ( 0.000 19.235 0.000) 19.235 5.370 ( 0.000 -7.584 0.000) 7.584 5.725 ( 0.000 -4.059 0.000) 4.059 6.274 ( 0.000 3.752 0.000) 3.752 6.711 ( 0.000 3.771 0.000) 3.771 6.886 ( 0.000 -18.965 0.000) 18.965 6.941 ( 0.000 -16.878 0.000) 16.878 7.485 ( 0.000 -12.447 0.000) 12.447 7.584 ( 0.000 -13.269 0.000) 13.269 7.715 ( 0.000 10.660 0.000) 10.660 8.226 ( 0.000 -12.256 0.000) 12.256 8.247 ( 0.000 -5.928 0.000) 5.928 8.571 ( 0.000 -18.517 0.000) 18.517 8.839 ( 0.000 8.831 0.000) 8.831 8.898 ( 0.000 -3.658 0.000) 3.658 9.291 ( 0.000 3.489 0.000) 3.489 9.444 ( 0.000 -33.580 0.000) 33.580 9.614 ( 0.000 -24.118 0.000) 24.118 10.013 ( 0.000 -3.254 0.000) 3.254 10.227 ( 0.000 -24.110 0.000) 24.110 10.330 ( 0.000 -9.441 0.000) 9.441 10.375 ( 0.000 9.222 0.000) 9.222 10.599 ( 0.000 16.843 0.000) 16.843 10.619 ( 0.000 -6.295 0.000) 6.295 10.672 ( 0.000 4.219 0.000) 4.219 10.793 ( 0.000 -15.664 0.000) 15.664 10.942 ( 0.000 -6.426 0.000) 6.426 11.011 ( 0.000 15.194 0.000) 15.194 11.203 ( 0.000 1.408 0.000) 1.408 11.286 ( 0.000 0.007 0.000) 0.007 11.292 ( 0.000 2.671 0.000) 2.671 11.371 ( 0.000 -16.288 0.000) 16.288 11.481 ( 0.000 19.466 0.000) 19.466 11.655 ( 0.000 -19.310 0.000) 19.310 11.831 ( 0.000 -2.034 0.000) 2.034 11.843 ( 0.000 -4.950 0.000) 4.950 11.948 ( 0.000 -3.907 0.000) 3.907 12.143 ( 0.000 -1.985 0.000) 1.985 12.270 ( 0.000 4.300 0.000) 4.300 12.594 ( 0.000 6.350 0.000) 6.350 12.629 ( 0.000 10.747 0.000) 10.747 12.787 ( 0.000 -0.311 0.000) 0.311 13.021 ( 0.000 34.517 0.000) 34.517 13.230 ( 0.000 26.228 0.000) 26.228 13.475 ( 0.000 -26.991 0.000) 26.991 13.504 ( 0.000 1.986 0.000) 1.986 13.749 ( 0.000 -8.808 0.000) 8.808 13.775 ( 0.000 7.492 0.000) 7.492 14.040 ( 0.000 0.727 0.000) 0.727 14.080 ( 0.000 -5.698 0.000) 5.698 14.180 ( 0.000 2.742 0.000) 2.742 14.230 ( 0.000 -12.074 0.000) 12.074 14.312 ( 0.000 -13.181 0.000) 13.181 14.622 ( 0.000 0.228 0.000) 0.228 14.703 ( 0.000 1.667 0.000) 1.667 15.180 ( 0.000 19.070 0.000) 19.070 15.472 ( 0.000 -8.752 0.000) 8.752 15.694 ( 0.000 6.510 0.000) 6.510 15.721 ( 0.000 -7.517 0.000) 7.517 16.084 ( 0.000 9.933 0.000) 9.933 16.384 ( 0.000 22.507 0.000) 22.507 16.678 ( 0.000 5.271 0.000) 5.271 16.727 ( 0.000 -7.667 0.000) 7.667 16.862 ( 0.000 -6.650 0.000) 6.650 17.455 ( 0.000 2.198 0.000) 2.198 18.373 ( 0.000 21.502 0.000) 21.502 18.777 ( 0.000 21.108 0.000) 21.108 19.169 ( 0.000 -11.971 0.000) 11.971 19.285 ( 0.000 -12.388 0.000) 12.388 22.349 ( 0.000 -1.828 0.000) 1.828 22.487 ( 0.000 -1.634 0.000) 1.634 22.646 ( 0.000 -2.901 0.000) 2.901 22.817 ( 0.000 12.906 0.000) 12.906 22.966 ( 0.000 13.242 0.000) 13.242 23.170 ( 0.000 -3.718 0.000) 3.718 27.578 ( 0.000 5.986 0.000) 5.986 27.619 ( 0.000 8.800 0.000) 8.800 27.865 ( 0.000 23.676 0.000) 23.676 28.026 ( 0.000 5.374 0.000) 5.374 28.078 ( 0.000 5.909 0.000) 5.909 29.269 ( 0.000 0.813 0.000) 0.813 29.471 ( 0.000 3.575 0.000) 3.575 29.542 ( 0.000 3.197 0.000) 3.197 29.589 ( 0.000 3.211 0.000) 3.211 29.891 ( 0.000 2.107 0.000) 2.107 30.112 ( 0.000 2.936 0.000) 2.936 30.402 ( 0.000 -3.778 0.000) 3.778 30.736 ( 0.000 -4.908 0.000) 4.908 30.818 ( 0.000 -1.594 0.000) 1.594 31.754 ( 0.000 -4.187 0.000) 4.187 32.740 ( 0.000 -7.918 0.000) 7.918 33.483 ( 0.000 3.267 0.000) 3.267 33.538 ( 0.000 1.459 0.000) 1.459 34.734 ( 0.000 -4.701 0.000) 4.701 37.167 ( 0.000 -25.051 0.000) 25.051 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.11 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 23.706 27.001 0.000) 35.931 1.126 ( 24.339 26.748 0.000) 36.164 2.046 ( 42.320 47.322 0.000) 63.485 2.289 ( 13.873 10.430 0.000) 17.357 2.471 ( -4.693 2.235 0.000) 5.198 2.566 ( 9.774 16.312 0.000) 19.016 3.040 ( 1.285 20.122 0.000) 20.163 3.140 ( 9.260 32.493 0.000) 33.786 3.750 ( 15.880 -4.705 0.000) 16.562 4.072 ( 6.327 5.948 0.000) 8.684 4.316 ( -8.108 19.081 0.000) 20.733 4.575 ( -2.379 -1.352 0.000) 2.736 4.665 ( 2.708 0.354 0.000) 2.731 4.947 ( -8.057 15.293 0.000) 17.285 5.272 ( -10.380 -8.694 0.000) 13.540 5.579 ( -13.611 -4.471 0.000) 14.326 6.517 ( 19.947 2.133 0.000) 20.061 6.784 ( -6.727 -8.851 0.000) 11.118 6.876 ( 13.998 3.583 0.000) 14.450 7.005 ( 7.146 -14.256 0.000) 15.947 7.309 ( -16.716 -13.733 0.000) 21.634 7.649 ( -7.548 6.308 0.000) 9.837 7.793 ( 21.118 -12.774 0.000) 24.681 8.270 ( -2.509 -11.878 0.000) 12.140 8.325 ( 5.537 -6.686 0.000) 8.681 8.464 ( -6.161 -11.162 0.000) 12.750 8.691 ( -14.285 0.223 0.000) 14.287 8.856 ( 2.149 3.494 0.000) 4.102 9.120 ( -17.793 -10.113 0.000) 20.466 9.364 ( -3.949 -21.264 0.000) 21.628 9.655 ( 2.360 -17.584 0.000) 17.741 10.033 ( -1.387 -4.868 0.000) 5.061 10.145 ( -16.183 1.203 0.000) 16.227 10.346 ( 6.999 -15.014 0.000) 16.565 10.406 ( 9.173 -16.434 0.000) 18.821 10.541 ( -6.952 1.171 0.000) 7.050 10.594 ( -2.125 -7.277 0.000) 7.581 10.673 ( -5.887 -3.004 0.000) 6.609 10.909 ( 16.715 9.363 0.000) 19.159 10.961 ( -1.622 7.929 0.000) 8.093 10.983 ( -2.770 13.997 0.000) 14.269 11.183 ( -2.170 2.765 0.000) 3.515 11.230 ( 2.326 -5.233 0.000) 5.726 11.267 ( -2.212 3.285 0.000) 3.961 11.404 ( -4.560 2.985 0.000) 5.450 11.582 ( 11.839 -12.932 0.000) 17.533 11.769 ( -8.607 -3.511 0.000) 9.295 11.792 ( 8.107 -7.439 0.000) 11.003 11.851 ( 2.962 -3.523 0.000) 4.602 11.890 ( -1.681 -1.642 0.000) 2.350 12.129 ( -0.332 3.094 0.000) 3.112 12.250 ( -2.419 -0.334 0.000) 2.442 12.556 ( -5.828 10.014 0.000) 11.587 12.579 ( -1.015 6.349 0.000) 6.429 12.748 ( -4.511 5.861 0.000) 7.396 12.989 ( -4.790 27.146 0.000) 27.565 13.070 ( -5.752 -0.231 0.000) 5.756 13.365 ( -10.189 7.663 0.000) 12.749 13.493 ( -13.144 2.405 0.000) 13.362 13.589 ( 6.629 9.021 0.000) 11.194 13.838 ( -3.297 -1.793 0.000) 3.753 13.950 ( 3.425 -6.560 0.000) 7.400 14.102 ( 3.404 -4.639 0.000) 5.754 14.191 ( 0.719 0.674 0.000) 0.985 14.197 ( -2.857 -7.341 0.000) 7.878 14.342 ( -2.412 -7.880 0.000) 8.241 14.595 ( -2.049 -0.203 0.000) 2.059 14.770 ( 1.057 -9.908 0.000) 9.964 15.243 ( 2.290 2.548 0.000) 3.425 15.582 ( 2.899 -1.414 0.000) 3.225 15.625 ( -1.846 0.827 0.000) 2.023 15.920 ( 4.369 -1.250 0.000) 4.544 16.068 ( 6.468 7.864 0.000) 10.182 16.278 ( -16.519 20.549 0.000) 26.365 16.497 ( -15.634 -4.397 0.000) 16.241 16.682 ( 5.838 10.024 0.000) 11.600 16.898 ( 3.046 -8.048 0.000) 8.605 17.280 ( 0.303 14.854 0.000) 14.857 18.159 ( -17.144 16.580 0.000) 23.849 18.262 ( -30.617 12.412 0.000) 33.037 19.530 ( 22.321 -8.254 0.000) 23.798 19.745 ( 34.754 -2.861 0.000) 34.872 22.296 ( -9.114 -9.528 0.000) 13.185 22.473 ( -6.811 -7.599 0.000) 10.205 22.807 ( 14.319 -0.100 0.000) 14.320 22.848 ( 2.936 13.316 0.000) 13.636 22.988 ( 2.188 13.648 0.000) 13.822 23.223 ( 3.733 0.402 0.000) 3.754 27.580 ( 0.206 6.062 0.000) 6.066 27.619 ( 0.017 8.630 0.000) 8.630 27.770 ( -5.838 16.455 0.000) 17.460 28.014 ( -3.603 10.998 0.000) 11.573 28.226 ( 10.765 9.905 0.000) 14.629 28.481 ( -28.031 31.926 0.000) 42.485 29.473 ( -6.615 3.471 0.000) 7.471 29.510 ( -7.183 3.732 0.000) 8.094 29.592 ( 12.683 1.888 0.000) 12.822 29.946 ( 5.515 1.640 0.000) 5.754 30.162 ( 5.154 3.212 0.000) 6.072 30.523 ( 11.126 -4.878 0.000) 12.148 30.874 ( 5.299 -2.153 0.000) 5.720 31.390 ( 19.422 -32.083 0.000) 37.504 31.725 ( -1.839 -5.615 0.000) 5.908 32.569 ( -12.699 -4.483 0.000) 13.467 33.544 ( 5.220 1.557 0.000) 5.447 33.649 ( 9.463 0.696 0.000) 9.488 34.690 ( -4.414 -4.486 0.000) 6.293 36.950 ( -21.088 -22.617 0.000) 30.923 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.22 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 31.006 14.428 0.000) 34.199 1.761 ( 31.581 -1.647 0.000) 31.624 2.444 ( 16.518 14.075 0.000) 21.702 2.531 ( 9.931 15.267 0.000) 18.213 2.717 ( 18.314 10.510 0.000) 21.116 3.059 ( 3.813 24.401 0.000) 24.697 3.186 ( 46.419 26.590 0.000) 53.496 3.405 ( 15.167 25.838 0.000) 29.961 3.757 ( -20.086 8.292 0.000) 21.730 4.005 ( -5.706 11.319 0.000) 12.676 4.444 ( 21.924 -4.897 0.000) 22.465 4.699 ( 2.942 -1.178 0.000) 3.170 4.710 ( -0.486 -3.259 0.000) 3.295 4.932 ( 14.134 6.900 0.000) 15.729 4.989 ( -15.735 -6.087 0.000) 16.871 5.267 ( -15.451 -0.638 0.000) 15.465 6.665 ( -6.254 1.450 0.000) 6.420 6.793 ( 4.129 -16.411 0.000) 16.922 7.011 ( -12.785 -7.826 0.000) 14.990 7.175 ( 14.374 -0.942 0.000) 14.404 7.249 ( 14.568 -1.119 0.000) 14.611 7.416 ( -14.023 -5.098 0.000) 14.921 7.993 ( -16.652 -1.648 0.000) 16.733 8.241 ( 21.981 -17.232 0.000) 27.930 8.304 ( -7.517 4.277 0.000) 8.649 8.345 ( -5.280 3.311 0.000) 6.233 8.653 ( -22.810 -15.076 0.000) 27.342 8.749 ( 17.102 -0.314 0.000) 17.105 8.951 ( -0.300 -2.752 0.000) 2.769 9.333 ( 1.777 -21.041 0.000) 21.116 9.670 ( -0.703 -9.099 0.000) 9.126 9.874 ( -8.888 -7.905 0.000) 11.895 9.944 ( -6.391 0.232 0.000) 6.395 10.343 ( -10.031 -5.999 0.000) 11.688 10.399 ( -2.457 -4.771 0.000) 5.367 10.534 ( -0.400 -6.080 0.000) 6.093 10.605 ( -3.165 7.187 0.000) 7.853 10.651 ( 10.129 -20.454 0.000) 22.825 10.862 ( -5.096 8.223 0.000) 9.674 10.938 ( -0.874 10.780 0.000) 10.815 11.097 ( -6.089 -2.309 0.000) 6.512 11.205 ( -4.734 4.913 0.000) 6.823 11.251 ( 6.960 8.720 0.000) 11.157 11.322 ( 11.846 2.050 0.000) 12.022 11.357 ( 0.036 -0.135 0.000) 0.139 11.567 ( -9.555 -2.485 0.000) 9.873 11.730 ( 1.994 -4.571 0.000) 4.987 11.799 ( -2.968 -9.269 0.000) 9.732 11.947 ( 7.309 -12.107 0.000) 14.142 12.006 ( 2.014 -0.727 0.000) 2.142 12.051 ( -8.836 -2.798 0.000) 9.268 12.222 ( 5.010 -9.839 0.000) 11.041 12.471 ( -2.730 14.489 0.000) 14.744 12.568 ( -0.933 4.402 0.000) 4.500 12.636 ( -4.592 8.165 0.000) 9.368 12.796 ( -12.135 11.536 0.000) 16.743 13.086 ( 4.834 -13.624 0.000) 14.456 13.178 ( -10.406 7.449 0.000) 12.797 13.351 ( 0.705 18.895 0.000) 18.908 13.682 ( 2.804 9.208 0.000) 9.625 13.877 ( 3.346 -7.273 0.000) 8.006 13.900 ( -6.022 -9.463 0.000) 11.216 14.106 ( -3.590 -2.426 0.000) 4.333 14.161 ( -2.698 1.702 0.000) 3.190 14.226 ( 4.796 -5.075 0.000) 6.983 14.301 ( -1.730 0.049 0.000) 1.731 14.566 ( -0.743 0.179 0.000) 0.764 14.788 ( 2.043 -10.060 0.000) 10.265 15.126 ( -14.447 8.045 0.000) 16.536 15.583 ( 0.147 -1.330 0.000) 1.339 15.583 ( -2.225 0.490 0.000) 2.278 15.806 ( -7.904 7.558 0.000) 10.936 15.926 ( -10.929 10.865 0.000) 15.411 16.243 ( -12.265 0.476 0.000) 12.275 16.333 ( 10.520 -5.138 0.000) 11.708 16.931 ( -1.341 -12.478 0.000) 12.549 16.962 ( 17.946 6.352 0.000) 19.037 17.402 ( 8.451 12.371 0.000) 14.982 17.765 ( -17.962 14.893 0.000) 23.333 17.827 ( -15.047 15.340 0.000) 21.487 20.017 ( 26.255 -5.888 0.000) 26.907 20.385 ( 29.681 -4.743 0.000) 30.058 22.076 ( -12.522 -10.380 0.000) 16.265 22.250 ( -14.793 -7.946 0.000) 16.792 22.922 ( 4.387 14.259 0.000) 14.919 23.020 ( 7.260 6.946 0.000) 10.048 23.046 ( 3.554 14.731 0.000) 15.153 23.274 ( 1.235 8.003 0.000) 8.098 27.588 ( 0.606 6.328 0.000) 6.357 27.620 ( 0.072 8.230 0.000) 8.231 27.683 ( -2.999 11.474 0.000) 11.859 27.861 ( -8.025 19.579 0.000) 21.160 28.351 ( 5.060 9.393 0.000) 10.669 28.435 ( 10.223 9.017 0.000) 13.632 29.309 ( -9.553 3.643 0.000) 10.224 29.342 ( -9.429 4.886 0.000) 10.620 29.906 ( 17.773 0.082 0.000) 17.773 30.094 ( 9.038 0.981 0.000) 9.092 30.307 ( 9.380 3.070 0.000) 9.870 30.787 ( 14.714 -7.674 0.000) 16.595 31.003 ( 7.665 -2.702 0.000) 8.128 31.423 ( -7.769 -13.060 0.000) 15.196 31.661 ( -6.939 -8.745 0.000) 11.163 32.335 ( -11.190 -7.345 0.000) 13.386 33.664 ( 6.861 0.979 0.000) 6.931 33.879 ( 13.868 -0.555 0.000) 13.879 34.567 ( -7.926 -3.877 0.000) 8.823 36.408 ( -32.365 -17.225 0.000) 36.663 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.33 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 10.986 -2.100 0.000) 11.185 2.228 ( 28.963 6.728 0.000) 29.734 2.775 ( 13.057 16.301 0.000) 20.885 2.983 ( 34.994 8.924 0.000) 36.114 3.077 ( 17.001 1.746 0.000) 17.090 3.138 ( -5.689 10.468 0.000) 11.914 3.450 ( 2.193 18.660 0.000) 18.789 3.634 ( 6.680 18.213 0.000) 19.399 3.850 ( 9.313 -2.782 0.000) 9.720 3.943 ( -0.302 16.658 0.000) 16.660 4.557 ( -4.887 4.686 0.000) 6.770 4.664 ( 5.681 7.179 0.000) 9.155 4.726 ( -9.890 3.490 0.000) 10.487 4.974 ( 18.680 -9.466 0.000) 20.942 5.141 ( 2.890 6.255 0.000) 6.890 5.282 ( 14.730 -1.063 0.000) 14.768 6.515 ( -8.419 5.263 0.000) 9.928 6.743 ( -7.459 -27.126 0.000) 28.133 6.815 ( -6.685 -1.652 0.000) 6.886 7.058 ( -12.817 -3.135 0.000) 13.195 7.324 ( -9.777 -9.886 0.000) 13.904 7.368 ( 2.392 -0.565 0.000) 2.458 8.014 ( 17.055 9.947 0.000) 19.744 8.067 ( -17.537 3.586 0.000) 17.900 8.133 ( -25.219 -15.435 0.000) 29.567 8.417 ( 13.434 15.055 0.000) 20.177 8.568 ( 4.965 -15.952 0.000) 16.707 9.026 ( 11.332 -4.367 0.000) 12.145 9.125 ( 18.625 -3.564 0.000) 18.963 9.326 ( -3.091 -17.288 0.000) 17.562 9.656 ( 0.298 -5.365 0.000) 5.373 9.758 ( -4.784 -0.561 0.000) 4.817 9.911 ( 2.315 -4.648 0.000) 5.193 10.240 ( 1.033 -5.601 0.000) 5.696 10.263 ( -10.185 1.196 0.000) 10.255 10.518 ( -1.300 -5.387 0.000) 5.542 10.524 ( -4.201 6.665 0.000) 7.879 10.771 ( -4.175 4.632 0.000) 6.236 10.795 ( 0.726 -11.712 0.000) 11.734 10.843 ( -6.515 1.398 0.000) 6.663 11.073 ( -7.193 -0.167 0.000) 7.195 11.108 ( 6.492 -5.680 0.000) 8.626 11.207 ( -7.077 6.255 0.000) 9.445 11.372 ( 0.576 4.152 0.000) 4.191 11.379 ( -7.464 0.205 0.000) 7.467 11.573 ( 7.396 -1.340 0.000) 7.516 11.709 ( -5.306 -9.055 0.000) 10.495 11.761 ( -4.629 -10.718 0.000) 11.675 11.862 ( -2.212 1.205 0.000) 2.519 11.917 ( -5.717 -9.410 0.000) 11.010 12.077 ( 4.375 -8.305 0.000) 9.387 12.414 ( 5.934 -7.941 0.000) 9.913 12.416 ( -1.882 13.504 0.000) 13.634 12.449 ( -7.352 9.786 0.000) 12.240 12.620 ( 2.151 4.566 0.000) 5.047 12.677 ( -0.494 -4.646 0.000) 4.673 13.050 ( -0.937 12.031 0.000) 12.068 13.183 ( 3.903 -14.708 0.000) 15.217 13.423 ( 4.998 18.114 0.000) 18.791 13.662 ( -4.551 -0.697 0.000) 4.604 13.771 ( -6.290 -5.828 0.000) 8.575 13.924 ( 1.086 -1.702 0.000) 2.019 14.057 ( -0.551 0.413 0.000) 0.689 14.110 ( -5.406 3.852 0.000) 6.638 14.272 ( 1.936 4.413 0.000) 4.819 14.280 ( 0.432 -8.754 0.000) 8.765 14.557 ( -0.694 1.416 0.000) 1.577 14.672 ( -14.335 4.833 0.000) 15.127 15.057 ( 10.971 -6.337 0.000) 12.669 15.481 ( -5.693 6.638 0.000) 8.745 15.572 ( -2.744 6.195 0.000) 6.775 15.703 ( -2.762 4.639 0.000) 5.399 15.909 ( 3.973 -5.033 0.000) 6.412 16.050 ( -3.776 1.649 0.000) 4.120 16.317 ( -12.151 -10.185 0.000) 15.855 16.820 ( -9.829 -14.141 0.000) 17.221 17.281 ( 13.709 7.380 0.000) 15.570 17.552 ( 6.180 11.956 0.000) 13.459 17.589 ( -1.718 16.673 0.000) 16.762 17.629 ( -4.655 15.313 0.000) 16.005 20.531 ( 25.911 -6.266 0.000) 26.658 20.895 ( 22.486 -6.934 0.000) 23.531 21.812 ( -14.796 -10.277 0.000) 18.015 21.924 ( -17.672 -8.022 0.000) 19.408 23.008 ( 4.138 15.194 0.000) 15.748 23.108 ( 2.176 12.724 0.000) 12.909 23.120 ( 3.837 15.982 0.000) 16.436 23.276 ( -0.857 13.144 0.000) 13.172 27.605 ( 1.174 6.917 0.000) 7.016 27.622 ( 0.143 7.798 0.000) 7.799 27.645 ( -1.170 8.741 0.000) 8.819 27.745 ( -4.288 14.044 0.000) 14.684 28.505 ( 9.510 5.151 0.000) 10.815 28.625 ( 9.271 7.557 0.000) 11.961 29.113 ( -10.247 3.557 0.000) 10.847 29.155 ( -9.491 5.840 0.000) 11.144 30.228 ( 13.846 -1.283 0.000) 13.905 30.276 ( 8.916 0.452 0.000) 8.928 30.517 ( 11.701 2.122 0.000) 11.892 31.031 ( 8.480 -9.944 0.000) 13.069 31.206 ( 14.207 -3.533 0.000) 14.640 31.227 ( -11.250 -6.820 0.000) 13.156 31.474 ( -10.714 -5.378 0.000) 11.988 32.107 ( -12.610 -9.057 0.000) 15.526 33.813 ( 8.322 0.266 0.000) 8.326 34.192 ( 18.248 -2.341 0.000) 18.398 34.389 ( -9.950 -2.973 0.000) 10.385 35.748 ( -33.702 -11.805 0.000) 35.710 ======================= Grid point 13 (10/60) ======================= q-point: ( 0.44 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 10.546 2.311 0.000) 10.796 2.545 ( -4.329 4.530 0.000) 6.266 3.013 ( 15.360 2.065 0.000) 15.498 3.123 ( 15.097 2.622 0.000) 15.323 3.244 ( -3.139 -1.708 0.000) 3.573 3.545 ( -19.651 -1.031 0.000) 19.678 3.595 ( 19.416 12.088 0.000) 22.871 3.685 ( 9.197 17.116 0.000) 19.431 3.781 ( 5.418 2.529 0.000) 5.980 3.928 ( -3.287 19.521 0.000) 19.796 4.474 ( -2.274 9.210 0.000) 9.487 4.517 ( -6.393 11.794 0.000) 13.416 5.058 ( 18.878 7.615 0.000) 20.356 5.201 ( 4.684 -9.001 0.000) 10.146 5.231 ( 3.960 -0.745 0.000) 4.030 5.353 ( -7.403 -3.968 0.000) 8.399 6.421 ( 1.201 7.783 0.000) 7.875 6.558 ( -10.163 -2.165 0.000) 10.391 6.792 ( 5.294 0.360 0.000) 5.306 6.971 ( -6.528 -9.269 0.000) 11.337 7.128 ( 6.257 -7.341 0.000) 9.646 7.496 ( 10.437 0.108 0.000) 10.438 7.546 ( -28.130 -15.624 0.000) 32.178 7.774 ( -16.538 1.166 0.000) 16.579 8.309 ( 11.918 -4.583 0.000) 12.768 8.505 ( -8.126 -11.522 0.000) 14.099 8.810 ( 22.566 15.855 0.000) 27.579 9.165 ( -11.142 5.347 0.000) 12.359 9.329 ( 10.701 -16.353 0.000) 19.543 9.389 ( 6.263 -8.609 0.000) 10.646 9.705 ( 4.246 -4.285 0.000) 6.032 9.734 ( 1.544 -3.005 0.000) 3.379 9.929 ( 0.685 5.073 0.000) 5.119 10.042 ( -10.861 4.385 0.000) 11.713 10.319 ( 5.244 2.397 0.000) 5.766 10.465 ( -6.097 1.751 0.000) 6.343 10.518 ( 2.971 -1.964 0.000) 3.561 10.592 ( -8.432 -1.209 0.000) 8.519 10.731 ( 2.574 -3.491 0.000) 4.338 10.885 ( -9.284 -5.364 0.000) 10.722 10.921 ( 4.323 -12.908 0.000) 13.613 11.038 ( -7.659 -5.096 0.000) 9.200 11.253 ( 5.865 -6.747 0.000) 8.940 11.313 ( -1.209 0.623 0.000) 1.360 11.378 ( 1.435 2.594 0.000) 2.964 11.509 ( -11.325 -7.212 0.000) 13.427 11.645 ( -0.646 -8.686 0.000) 8.710 11.653 ( -0.585 -7.662 0.000) 7.684 11.871 ( 1.470 -1.072 0.000) 1.819 11.917 ( -0.235 5.107 0.000) 5.112 12.135 ( 3.878 3.425 0.000) 5.174 12.254 ( -7.930 7.810 0.000) 11.131 12.429 ( 2.641 0.627 0.000) 2.715 12.483 ( -1.729 -4.630 0.000) 4.943 12.682 ( 3.264 1.727 0.000) 3.693 12.706 ( 1.474 -4.034 0.000) 4.295 13.118 ( 5.907 4.211 0.000) 7.254 13.207 ( -1.934 -8.345 0.000) 8.566 13.521 ( 4.743 7.570 0.000) 8.933 13.583 ( -2.541 -2.162 0.000) 3.336 13.683 ( -1.461 2.277 0.000) 2.706 13.785 ( -10.983 6.990 0.000) 13.019 14.101 ( 4.407 1.820 0.000) 4.768 14.110 ( 3.722 0.140 0.000) 3.725 14.255 ( -1.971 -8.481 0.000) 8.707 14.296 ( -3.684 1.598 0.000) 4.016 14.482 ( -1.618 3.520 0.000) 3.874 14.524 ( -2.739 3.083 0.000) 4.124 15.311 ( 10.253 -6.648 0.000) 12.219 15.403 ( -2.503 5.618 0.000) 6.151 15.566 ( 4.627 9.278 0.000) 10.367 15.668 ( -1.909 5.247 0.000) 5.584 15.854 ( -2.636 -2.765 0.000) 3.820 15.992 ( -16.736 -9.864 0.000) 19.427 16.236 ( 15.648 -7.942 0.000) 17.548 16.557 ( -16.043 -11.094 0.000) 19.506 17.485 ( 7.100 9.901 0.000) 12.184 17.570 ( -2.113 13.434 0.000) 13.599 17.623 ( 1.938 13.280 0.000) 13.420 17.631 ( 1.702 12.320 0.000) 12.437 21.022 ( 24.053 -7.615 0.000) 25.229 21.280 ( 17.376 -8.051 0.000) 19.151 21.465 ( -20.798 -9.190 0.000) 22.738 21.597 ( -15.658 -8.184 0.000) 17.668 23.078 ( 2.918 15.721 0.000) 15.990 23.118 ( -0.958 15.247 0.000) 15.277 23.191 ( 3.246 16.563 0.000) 16.878 23.245 ( -2.227 15.780 0.000) 15.937 27.624 ( 0.250 7.474 0.000) 7.478 27.630 ( -0.431 7.642 0.000) 7.655 27.635 ( 1.799 8.132 0.000) 8.328 27.679 ( -2.686 10.267 0.000) 10.613 28.703 ( 10.475 3.979 0.000) 11.206 28.801 ( 8.834 6.707 0.000) 11.092 28.909 ( -10.531 3.594 0.000) 11.127 28.974 ( -8.966 6.303 0.000) 10.959 30.414 ( 4.352 -0.115 0.000) 4.353 30.415 ( 4.777 -1.081 0.000) 4.898 30.755 ( 12.449 0.205 0.000) 12.450 30.997 ( -12.127 -2.892 0.000) 12.467 31.153 ( 5.430 -8.263 0.000) 9.888 31.282 ( -8.277 -6.116 0.000) 10.291 31.520 ( 16.672 -6.839 0.000) 18.020 31.835 ( -15.168 -8.533 0.000) 17.403 33.989 ( 9.668 -0.769 0.000) 9.699 34.187 ( -10.405 -1.895 0.000) 10.576 34.601 ( 23.722 -4.548 0.000) 24.154 35.123 ( -29.590 -7.583 0.000) 30.546 ======================= Grid point 18 (11/60) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 0.000 36.788 0.000) 36.788 2.071 ( 0.000 46.412 0.000) 46.412 2.459 ( 0.000 15.885 0.000) 15.885 2.558 ( 0.000 0.180 0.000) 0.180 2.666 ( 0.000 58.751 0.000) 58.751 2.942 ( 0.000 24.648 0.000) 24.648 3.002 ( 0.000 3.843 0.000) 3.843 3.851 ( 0.000 6.042 0.000) 6.042 3.860 ( 0.000 34.984 0.000) 34.984 3.917 ( 0.000 1.107 0.000) 1.107 4.511 ( 0.000 -5.219 0.000) 5.219 4.676 ( 0.000 3.750 0.000) 3.750 5.151 ( 0.000 -12.524 0.000) 12.524 5.282 ( 0.000 45.245 0.000) 45.245 5.632 ( 0.000 -3.329 0.000) 3.329 5.662 ( 0.000 37.424 0.000) 37.424 6.341 ( 0.000 0.048 0.000) 0.048 6.359 ( 0.000 -30.179 0.000) 30.179 6.602 ( 0.000 -14.930 0.000) 14.930 6.814 ( 0.000 5.698 0.000) 5.698 7.199 ( 0.000 -11.960 0.000) 11.960 7.213 ( 0.000 -21.212 0.000) 21.212 7.866 ( 0.000 3.206 0.000) 3.206 7.985 ( 0.000 -19.507 0.000) 19.507 8.056 ( 0.000 -4.125 0.000) 4.125 8.147 ( 0.000 -16.694 0.000) 16.694 8.709 ( 0.000 -35.196 0.000) 35.196 8.851 ( 0.000 -7.141 0.000) 7.141 8.875 ( 0.000 1.339 0.000) 1.339 9.046 ( 0.000 -27.603 0.000) 27.603 9.327 ( 0.000 -2.678 0.000) 2.678 9.819 ( 0.000 -15.180 0.000) 15.180 9.980 ( 0.000 0.961 0.000) 0.961 10.109 ( 0.000 -10.645 0.000) 10.645 10.204 ( 0.000 -29.922 0.000) 29.922 10.451 ( 0.000 -8.299 0.000) 8.299 10.650 ( 0.000 16.416 0.000) 16.416 10.749 ( 0.000 2.112 0.000) 2.112 10.904 ( 0.000 1.651 0.000) 1.651 10.924 ( 0.000 6.817 0.000) 6.817 11.149 ( 0.000 -3.133 0.000) 3.133 11.172 ( 0.000 -9.677 0.000) 9.677 11.213 ( 0.000 2.047 0.000) 2.047 11.255 ( 0.000 -12.230 0.000) 12.230 11.337 ( 0.000 11.423 0.000) 11.423 11.421 ( 0.000 2.871 0.000) 2.871 11.738 ( 0.000 7.699 0.000) 7.699 11.768 ( 0.000 -4.439 0.000) 4.439 11.826 ( 0.000 2.521 0.000) 2.521 11.897 ( 0.000 -2.567 0.000) 2.567 12.077 ( 0.000 -4.535 0.000) 4.535 12.468 ( 0.000 12.462 0.000) 12.462 12.680 ( 0.000 1.226 0.000) 1.226 12.686 ( 0.000 -10.273 0.000) 10.273 12.853 ( 0.000 8.370 0.000) 8.370 13.120 ( 0.000 -4.405 0.000) 4.405 13.444 ( 0.000 4.128 0.000) 4.128 13.547 ( 0.000 -10.017 0.000) 10.017 13.558 ( 0.000 4.097 0.000) 4.097 13.777 ( 0.000 22.093 0.000) 22.093 13.830 ( 0.000 -18.435 0.000) 18.435 13.988 ( 0.000 -9.405 0.000) 9.405 14.002 ( 0.000 -5.086 0.000) 5.086 14.004 ( 0.000 15.174 0.000) 15.174 14.116 ( 0.000 -5.436 0.000) 5.436 14.320 ( 0.000 7.473 0.000) 7.473 14.453 ( 0.000 -19.002 0.000) 19.002 14.566 ( 0.000 -5.362 0.000) 5.362 15.346 ( 0.000 1.415 0.000) 1.415 15.522 ( 0.000 -10.034 0.000) 10.034 15.657 ( 0.000 21.594 0.000) 21.594 15.912 ( 0.000 13.121 0.000) 13.121 16.307 ( 0.000 10.228 0.000) 10.228 16.544 ( 0.000 -8.450 0.000) 8.450 16.672 ( 0.000 -10.792 0.000) 10.792 16.678 ( 0.000 1.047 0.000) 1.047 17.018 ( 0.000 27.719 0.000) 27.719 17.562 ( 0.000 8.718 0.000) 8.718 18.891 ( 0.000 -13.185 0.000) 13.185 18.969 ( 0.000 34.049 0.000) 34.049 18.990 ( 0.000 -14.389 0.000) 14.389 19.354 ( 0.000 32.407 0.000) 32.407 22.269 ( 0.000 -6.435 0.000) 6.435 22.412 ( 0.000 -6.082 0.000) 6.082 22.625 ( 0.000 2.509 0.000) 2.509 23.115 ( 0.000 13.918 0.000) 13.918 23.137 ( 0.000 0.829 0.000) 0.829 23.282 ( 0.000 14.977 0.000) 14.977 27.749 ( 0.000 9.926 0.000) 9.926 27.852 ( 0.000 12.615 0.000) 12.615 28.175 ( 0.000 8.228 0.000) 8.228 28.228 ( 0.000 7.665 0.000) 7.665 28.415 ( 0.000 26.238 0.000) 26.238 29.299 ( 0.000 2.363 0.000) 2.363 29.591 ( 0.000 8.037 0.000) 8.037 29.634 ( 0.000 5.302 0.000) 5.302 29.669 ( 0.000 3.587 0.000) 3.587 29.953 ( 0.000 4.377 0.000) 4.377 30.235 ( 0.000 9.306 0.000) 9.306 30.291 ( 0.000 -6.650 0.000) 6.650 30.597 ( 0.000 -8.075 0.000) 8.075 30.766 ( 0.000 -3.427 0.000) 3.427 31.620 ( 0.000 -8.684 0.000) 8.684 32.505 ( 0.000 -14.248 0.000) 14.248 33.579 ( 0.000 4.316 0.000) 4.316 33.595 ( 0.000 5.833 0.000) 5.833 34.595 ( 0.000 -8.305 0.000) 8.305 36.503 ( 0.000 -36.038 0.000) 36.038 ======================= Grid point 19 (12/60) ======================= q-point: ( 0.11 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 11.695 32.572 0.000) 34.608 1.880 ( -6.612 39.873 0.000) 40.418 2.511 ( 5.295 14.385 0.000) 15.329 2.625 ( 9.429 10.062 0.000) 13.789 2.935 ( 2.895 23.727 0.000) 23.903 3.197 ( 36.303 48.597 0.000) 60.659 3.268 ( 21.257 1.696 0.000) 21.324 3.755 ( -0.491 5.977 0.000) 5.997 3.894 ( 3.732 32.619 0.000) 32.832 4.133 ( 11.458 -0.192 0.000) 11.459 4.505 ( -0.528 -5.104 0.000) 5.132 4.699 ( 1.257 3.773 0.000) 3.977 4.897 ( -27.626 33.691 0.000) 43.569 5.024 ( -10.989 -13.954 0.000) 17.761 5.484 ( -10.581 -1.659 0.000) 10.710 5.490 ( -13.686 33.586 0.000) 36.267 6.501 ( -0.711 -8.016 0.000) 8.048 6.519 ( 11.781 -16.829 0.000) 20.543 6.763 ( 23.202 -2.863 0.000) 23.378 6.983 ( -9.648 -15.133 0.000) 17.947 7.015 ( 15.517 7.034 0.000) 17.036 7.484 ( 16.357 -15.499 0.000) 22.534 7.632 ( -18.644 -7.322 0.000) 20.031 7.937 ( -2.180 -15.096 0.000) 15.252 8.168 ( 9.615 -6.760 0.000) 11.754 8.299 ( 10.941 -4.148 0.000) 11.701 8.561 ( -14.369 -32.972 0.000) 35.967 8.740 ( -8.083 4.147 0.000) 9.085 8.829 ( -2.340 -8.533 0.000) 8.848 9.186 ( -12.010 -4.868 0.000) 12.959 9.194 ( 10.272 -24.681 0.000) 26.733 9.952 ( 11.600 -18.826 0.000) 22.113 9.952 ( -3.835 -2.272 0.000) 4.458 10.119 ( -8.271 -15.049 0.000) 17.172 10.165 ( 5.329 -9.788 0.000) 11.144 10.342 ( -14.245 3.449 0.000) 14.656 10.411 ( -3.839 -8.378 0.000) 9.216 10.767 ( -4.345 3.178 0.000) 5.383 11.006 ( -3.740 -4.359 0.000) 5.743 11.103 ( -4.653 -4.608 0.000) 6.548 11.105 ( 15.585 1.601 0.000) 15.667 11.198 ( -4.907 -7.846 0.000) 9.254 11.223 ( 13.389 13.272 0.000) 18.852 11.325 ( 8.091 -11.240 0.000) 13.849 11.356 ( -2.135 6.074 0.000) 6.438 11.378 ( 0.433 7.747 0.000) 7.759 11.701 ( -9.405 -1.041 0.000) 9.463 11.732 ( -2.589 -3.773 0.000) 4.576 11.854 ( 8.862 2.096 0.000) 9.106 11.855 ( -3.807 -2.824 0.000) 4.740 12.165 ( 3.896 -0.816 0.000) 3.980 12.385 ( -9.817 11.817 0.000) 15.363 12.642 ( -2.542 -0.528 0.000) 2.596 12.646 ( -2.975 -5.887 0.000) 6.596 12.823 ( -1.993 5.342 0.000) 5.702 13.006 ( -9.259 1.072 0.000) 9.321 13.252 ( -15.264 0.837 0.000) 15.287 13.467 ( -7.147 -4.578 0.000) 8.488 13.633 ( 5.274 -2.810 0.000) 5.975 13.713 ( -6.089 11.506 0.000) 13.018 13.878 ( -2.020 -4.748 0.000) 5.160 13.924 ( 6.229 -1.101 0.000) 6.325 13.926 ( -5.437 1.699 0.000) 5.696 14.149 ( 5.384 5.509 0.000) 7.703 14.154 ( 3.220 -7.371 0.000) 8.043 14.328 ( -0.032 6.825 0.000) 6.825 14.434 ( -0.049 -16.876 0.000) 16.876 14.540 ( -1.869 -5.072 0.000) 5.405 15.314 ( -0.814 3.745 0.000) 3.833 15.557 ( 2.387 -8.425 0.000) 8.757 15.744 ( 1.425 15.229 0.000) 15.296 15.966 ( 2.768 8.420 0.000) 8.863 16.289 ( -0.025 10.661 0.000) 10.661 16.360 ( -14.502 -7.081 0.000) 16.139 16.560 ( -11.689 5.174 0.000) 12.783 16.676 ( -0.175 -12.305 0.000) 12.306 17.073 ( 4.412 25.019 0.000) 25.405 17.534 ( 1.931 12.059 0.000) 12.213 18.491 ( -25.656 6.438 0.000) 26.452 18.510 ( -21.081 12.030 0.000) 24.272 19.481 ( 26.268 8.482 0.000) 27.603 19.805 ( 29.530 11.665 0.000) 31.751 22.140 ( -10.267 -5.597 0.000) 11.693 22.354 ( -7.234 -5.329 0.000) 8.986 22.826 ( 16.332 1.419 0.000) 16.394 23.153 ( 3.598 14.085 0.000) 14.537 23.216 ( 7.276 -0.007 0.000) 7.276 23.310 ( 2.722 15.053 0.000) 15.297 27.754 ( 0.462 10.073 0.000) 10.084 27.848 ( -0.360 12.451 0.000) 12.456 28.110 ( -7.947 13.812 0.000) 15.935 28.195 ( 1.600 8.336 0.000) 8.488 28.531 ( 8.005 18.465 0.000) 20.125 28.980 ( -23.400 16.503 0.000) 28.634 29.572 ( -6.128 5.650 0.000) 8.335 29.612 ( -5.135 5.443 0.000) 7.483 29.663 ( 9.687 5.296 0.000) 11.040 29.999 ( 4.744 3.886 0.000) 6.132 30.277 ( 4.455 7.515 0.000) 8.736 30.386 ( 8.479 -7.415 0.000) 11.263 30.807 ( 3.941 -4.298 0.000) 5.831 30.872 ( 16.780 -18.660 0.000) 25.095 31.589 ( -3.086 -8.281 0.000) 8.837 32.385 ( -10.885 -12.386 0.000) 16.489 33.623 ( 3.629 5.806 0.000) 6.847 33.670 ( 7.566 1.776 0.000) 7.772 34.558 ( -3.757 -7.899 0.000) 8.747 36.345 ( -15.529 -33.149 0.000) 36.606 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.22 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 10.153 16.804 0.000) 19.633 2.033 ( 19.990 23.254 0.000) 30.665 2.684 ( 13.577 11.781 0.000) 17.976 2.933 ( 19.662 20.315 0.000) 28.272 3.004 ( 5.599 14.778 0.000) 15.803 3.538 ( 1.827 18.292 0.000) 18.383 3.830 ( 17.975 23.578 0.000) 29.648 3.911 ( 11.671 -4.692 0.000) 12.579 3.984 ( 3.930 22.516 0.000) 22.857 4.150 ( -14.932 11.483 0.000) 18.836 4.408 ( 5.311 2.835 0.000) 6.020 4.708 ( 6.764 10.803 0.000) 12.746 4.723 ( 7.279 2.198 0.000) 7.603 4.848 ( -7.215 -6.984 0.000) 10.041 5.274 ( -5.012 25.770 0.000) 26.253 5.365 ( 1.057 14.564 0.000) 14.603 6.392 ( -10.287 -21.119 0.000) 23.491 6.676 ( 0.874 -0.806 0.000) 1.189 6.860 ( -1.405 -6.836 0.000) 6.979 7.116 ( 8.352 -3.375 0.000) 9.008 7.234 ( -8.421 -2.522 0.000) 8.791 7.308 ( 2.065 -0.248 0.000) 2.080 7.835 ( 17.030 -19.916 0.000) 26.204 8.049 ( 13.884 7.638 0.000) 15.846 8.161 ( -19.085 -26.267 0.000) 32.468 8.351 ( 0.540 -6.047 0.000) 6.071 8.437 ( 2.875 5.179 0.000) 5.924 8.744 ( 11.202 0.079 0.000) 11.202 8.766 ( -4.265 -14.748 0.000) 15.353 8.973 ( -5.710 -11.341 0.000) 12.697 9.372 ( 7.107 -19.345 0.000) 20.609 9.812 ( -7.714 1.766 0.000) 7.914 9.966 ( -6.414 -0.032 0.000) 6.414 10.146 ( -6.459 -7.657 0.000) 10.018 10.195 ( 9.926 -21.642 0.000) 23.809 10.278 ( 3.511 -14.462 0.000) 14.882 10.333 ( 0.216 -3.616 0.000) 3.622 10.701 ( -2.801 0.538 0.000) 2.852 10.888 ( -6.729 -3.833 0.000) 7.744 10.981 ( -7.507 -7.272 0.000) 10.452 11.085 ( -5.957 -1.802 0.000) 6.224 11.247 ( -7.438 1.909 0.000) 7.679 11.288 ( 2.889 -4.638 0.000) 5.464 11.423 ( -0.667 -9.726 0.000) 9.749 11.451 ( 4.590 7.652 0.000) 8.923 11.517 ( 0.974 7.162 0.000) 7.228 11.598 ( 11.269 -4.885 0.000) 12.283 11.649 ( -5.427 -4.631 0.000) 7.135 11.771 ( -3.054 -0.134 0.000) 3.057 11.995 ( -4.152 -7.866 0.000) 8.894 12.118 ( -7.864 3.979 0.000) 8.813 12.151 ( -3.183 10.827 0.000) 11.285 12.586 ( -4.006 -1.900 0.000) 4.434 12.632 ( 3.029 -2.620 0.000) 4.005 12.797 ( -8.077 9.781 0.000) 12.685 12.855 ( 1.619 -3.442 0.000) 3.804 12.958 ( -13.470 1.833 0.000) 13.594 13.328 ( -5.326 2.963 0.000) 6.095 13.595 ( -5.195 1.926 0.000) 5.540 13.705 ( 0.515 -8.567 0.000) 8.583 13.831 ( -2.605 1.966 0.000) 3.264 13.864 ( 0.314 3.809 0.000) 3.821 14.044 ( 5.006 1.510 0.000) 5.229 14.173 ( -2.609 2.283 0.000) 3.467 14.232 ( 1.749 -4.416 0.000) 4.749 14.295 ( -0.491 2.450 0.000) 2.498 14.498 ( 5.664 -9.433 0.000) 11.003 14.528 ( 0.822 -3.381 0.000) 3.479 15.305 ( -4.353 7.513 0.000) 8.683 15.591 ( 1.258 -5.021 0.000) 5.176 15.607 ( -8.399 6.019 0.000) 10.333 15.905 ( -8.292 5.028 0.000) 9.698 16.086 ( -12.802 1.785 0.000) 12.926 16.303 ( -11.963 6.326 0.000) 13.532 16.333 ( 0.843 4.865 0.000) 4.938 16.638 ( -3.703 -13.871 0.000) 14.357 17.256 ( 13.974 19.267 0.000) 23.801 17.657 ( 8.410 12.627 0.000) 15.171 18.084 ( -14.482 13.753 0.000) 19.972 18.167 ( -13.437 14.760 0.000) 19.960 19.992 ( 25.606 5.920 0.000) 26.281 20.352 ( 25.577 3.544 0.000) 25.821 21.918 ( -12.079 -4.335 0.000) 12.833 22.127 ( -15.073 -3.933 0.000) 15.578 23.139 ( 13.909 3.549 0.000) 14.355 23.243 ( 5.223 14.429 0.000) 15.346 23.372 ( 7.524 1.890 0.000) 7.757 23.381 ( 4.272 15.137 0.000) 15.728 27.769 ( 1.159 10.513 0.000) 10.576 27.840 ( -0.428 12.085 0.000) 12.092 27.973 ( -5.699 14.694 0.000) 15.761 28.192 ( -3.489 11.535 0.000) 12.051 28.657 ( -6.828 17.995 0.000) 19.246 28.686 ( 7.648 14.376 0.000) 16.284 29.417 ( -9.133 6.449 0.000) 11.180 29.484 ( -7.625 8.331 0.000) 11.294 29.918 ( 14.749 1.238 0.000) 14.801 30.129 ( 8.056 2.675 0.000) 8.489 30.404 ( 8.158 5.759 0.000) 9.986 30.582 ( 10.772 -10.958 0.000) 15.366 30.911 ( 6.682 -6.020 0.000) 8.994 31.058 ( 2.181 -18.722 0.000) 18.849 31.501 ( -5.966 -7.747 0.000) 9.778 32.137 ( -13.437 -11.470 0.000) 17.667 33.713 ( 5.378 3.925 0.000) 6.658 33.862 ( 11.657 -0.812 0.000) 11.685 34.453 ( -6.717 -6.745 0.000) 9.519 35.937 ( -24.873 -26.333 0.000) 36.222 ======================= Grid point 21 (14/60) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 12.575 4.282 0.000) 13.284 2.445 ( 20.859 13.411 0.000) 24.799 3.040 ( 18.308 2.238 0.000) 18.445 3.187 ( 15.075 4.705 0.000) 15.792 3.189 ( 0.079 20.612 0.000) 20.612 3.376 ( -14.330 13.586 0.000) 19.747 3.787 ( -12.361 -4.422 0.000) 13.128 3.923 ( 4.020 19.672 0.000) 20.078 3.982 ( -4.566 10.748 0.000) 11.677 4.155 ( 9.036 2.373 0.000) 9.342 4.700 ( 16.101 -6.116 0.000) 17.223 4.720 ( -2.530 -0.863 0.000) 2.673 4.829 ( 2.319 7.361 0.000) 7.718 5.143 ( 27.300 35.243 0.000) 44.580 5.321 ( 6.200 10.064 0.000) 11.820 5.462 ( 3.672 26.899 0.000) 27.148 6.194 ( -3.943 -22.533 0.000) 22.876 6.586 ( -5.322 0.402 0.000) 5.337 6.866 ( -1.041 6.302 0.000) 6.387 6.961 ( -6.855 -5.915 0.000) 9.054 7.226 ( -5.154 3.352 0.000) 6.148 7.385 ( 4.311 2.358 0.000) 4.914 7.655 ( -24.673 -25.279 0.000) 35.324 8.048 ( -10.025 -12.447 0.000) 15.982 8.229 ( 4.061 11.395 0.000) 12.097 8.363 ( 6.762 -3.165 0.000) 7.466 8.677 ( 0.104 -20.695 0.000) 20.695 8.699 ( 22.234 10.461 0.000) 24.572 9.014 ( 12.470 -6.756 0.000) 14.182 9.039 ( 8.731 -14.489 0.000) 16.917 9.474 ( 4.174 -12.560 0.000) 13.236 9.745 ( -1.416 2.381 0.000) 2.770 9.873 ( -0.058 -1.202 0.000) 1.203 10.093 ( 1.306 -5.930 0.000) 6.072 10.144 ( -6.768 -13.230 0.000) 14.861 10.375 ( 3.685 -9.631 0.000) 10.312 10.496 ( 10.119 -11.719 0.000) 15.483 10.649 ( -2.614 1.689 0.000) 3.112 10.732 ( -9.325 -4.775 0.000) 10.476 10.815 ( -8.887 -4.935 0.000) 10.166 11.001 ( -3.908 -3.781 0.000) 5.437 11.047 ( -11.672 -3.912 0.000) 12.310 11.248 ( -6.735 -11.240 0.000) 13.103 11.294 ( -7.558 -11.230 0.000) 13.536 11.453 ( -5.934 -8.596 0.000) 10.446 11.468 ( -6.692 0.254 0.000) 6.697 11.594 ( -1.509 10.354 0.000) 10.464 11.614 ( -8.359 -2.193 0.000) 8.642 11.765 ( -5.175 -6.096 0.000) 7.997 11.912 ( 11.961 1.517 0.000) 12.056 12.040 ( 2.476 3.483 0.000) 4.273 12.262 ( 4.234 -3.283 0.000) 5.358 12.500 ( -2.967 -1.439 0.000) 3.297 12.591 ( -9.487 3.631 0.000) 10.158 12.748 ( 4.340 6.464 0.000) 7.786 12.752 ( -7.075 4.570 0.000) 8.422 12.946 ( 6.946 -3.520 0.000) 7.787 13.292 ( 0.926 7.882 0.000) 7.936 13.511 ( -3.524 -2.291 0.000) 4.203 13.623 ( -6.130 -4.607 0.000) 7.668 13.869 ( 3.408 -4.262 0.000) 5.457 13.881 ( 0.733 8.666 0.000) 8.697 14.071 ( -2.569 2.105 0.000) 3.321 14.131 ( 0.594 -3.537 0.000) 3.587 14.142 ( -5.681 0.404 0.000) 5.695 14.399 ( 6.597 3.906 0.000) 7.667 14.557 ( 1.669 -0.463 0.000) 1.732 14.561 ( -3.068 -9.700 0.000) 10.174 15.092 ( -7.334 7.837 0.000) 10.734 15.620 ( 1.956 -1.317 0.000) 2.358 15.668 ( 9.979 -0.112 0.000) 9.979 15.703 ( -11.577 0.070 0.000) 11.578 15.876 ( -8.254 5.017 0.000) 9.659 16.120 ( -6.428 5.465 0.000) 8.437 16.207 ( -12.347 0.358 0.000) 12.352 16.540 ( -7.235 -9.910 0.000) 12.270 17.543 ( 13.803 15.727 0.000) 20.925 17.810 ( 6.627 12.656 0.000) 14.286 17.926 ( -2.902 14.899 0.000) 15.179 17.987 ( -5.505 16.663 0.000) 17.548 20.478 ( 24.001 2.935 0.000) 24.180 20.799 ( 20.267 -0.457 0.000) 20.272 21.664 ( -14.199 -3.367 0.000) 14.593 21.798 ( -17.717 -3.263 0.000) 18.015 23.342 ( 4.619 14.609 0.000) 15.322 23.345 ( 7.169 8.396 0.000) 11.040 23.465 ( 3.992 14.790 0.000) 15.320 23.489 ( 4.249 6.319 0.000) 7.615 27.801 ( 2.147 11.261 0.000) 11.464 27.834 ( -0.160 11.800 0.000) 11.801 27.888 ( -3.074 13.540 0.000) 13.884 28.071 ( -7.188 15.255 0.000) 16.864 28.676 ( 6.171 11.217 0.000) 12.802 28.838 ( 7.863 12.323 0.000) 14.618 29.228 ( -10.028 7.183 0.000) 12.335 29.324 ( -8.505 10.078 0.000) 13.187 30.194 ( 12.531 -1.808 0.000) 12.661 30.292 ( 7.954 1.229 0.000) 8.048 30.578 ( 9.133 2.971 0.000) 9.604 30.778 ( 8.821 -12.885 0.000) 15.616 31.011 ( -5.499 -13.061 0.000) 14.171 31.079 ( 10.779 -8.265 0.000) 13.583 31.349 ( -9.464 -6.312 0.000) 11.376 31.874 ( -13.531 -12.583 0.000) 18.478 33.831 ( 6.630 1.711 0.000) 6.847 34.126 ( 15.447 -3.696 0.000) 15.883 34.304 ( -8.361 -5.010 0.000) 9.747 35.419 ( -27.047 -18.810 0.000) 32.945 ======================= Grid point 22 (15/60) ======================= q-point: ( 0.44 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 14.731 5.850 0.000) 15.850 2.694 ( -4.855 9.569 0.000) 10.730 3.075 ( 5.672 2.868 0.000) 6.356 3.212 ( 1.077 0.132 0.000) 1.085 3.241 ( -1.396 9.988 0.000) 10.085 3.359 ( -10.348 -9.418 0.000) 13.992 3.773 ( 13.281 2.872 0.000) 13.588 3.928 ( -5.204 3.467 0.000) 6.253 3.955 ( 11.231 6.879 0.000) 13.170 4.301 ( -7.296 10.099 0.000) 12.459 4.762 ( 5.032 4.578 0.000) 6.803 4.812 ( 1.453 17.430 0.000) 17.491 4.964 ( 13.124 -9.937 0.000) 16.462 5.326 ( -16.532 20.559 0.000) 26.382 5.434 ( 6.995 18.241 0.000) 19.536 5.503 ( 4.959 30.721 0.000) 31.119 6.393 ( 20.845 -13.102 0.000) 24.621 6.611 ( 7.788 9.061 0.000) 11.948 6.785 ( -8.854 -3.100 0.000) 9.381 6.867 ( -8.999 2.528 0.000) 9.347 7.095 ( -1.647 2.943 0.000) 3.373 7.213 ( -16.033 -11.151 0.000) 19.529 7.479 ( 6.798 -0.386 0.000) 6.809 7.726 ( -17.530 -6.967 0.000) 18.864 8.304 ( 3.703 4.013 0.000) 5.460 8.376 ( -3.543 0.603 0.000) 3.594 8.888 ( 14.911 -23.350 0.000) 27.705 9.039 ( 5.403 -1.069 0.000) 5.508 9.159 ( 4.784 -7.787 0.000) 9.139 9.190 ( 4.454 -7.148 0.000) 8.423 9.568 ( 5.084 -8.349 0.000) 9.775 9.664 ( -5.111 -1.881 0.000) 5.446 9.978 ( 5.206 -0.862 0.000) 5.277 10.039 ( -3.252 -5.905 0.000) 6.741 10.228 ( 13.269 -6.667 0.000) 14.850 10.407 ( -0.477 -6.929 0.000) 6.946 10.534 ( -6.885 -2.157 0.000) 7.215 10.586 ( -8.093 -3.601 0.000) 8.858 10.638 ( 0.093 -3.137 0.000) 3.138 10.703 ( -5.264 -5.284 0.000) 7.458 10.763 ( 1.364 -3.473 0.000) 3.731 11.012 ( -15.956 -1.961 0.000) 16.076 11.028 ( 2.386 -14.819 0.000) 15.010 11.132 ( -8.186 -15.482 0.000) 17.513 11.352 ( -2.496 -9.027 0.000) 9.366 11.354 ( -2.577 -6.702 0.000) 7.180 11.510 ( -2.144 -2.838 0.000) 3.557 11.512 ( -2.618 0.907 0.000) 2.771 11.882 ( 10.996 1.961 0.000) 11.169 12.049 ( -1.924 3.083 0.000) 3.634 12.125 ( 5.888 -3.721 0.000) 6.966 12.235 ( -4.816 -6.437 0.000) 8.039 12.444 ( -3.025 2.300 0.000) 3.800 12.469 ( -2.565 0.497 0.000) 2.612 12.712 ( 2.702 5.015 0.000) 5.697 12.771 ( -1.744 6.216 0.000) 6.456 13.129 ( 10.291 1.769 0.000) 10.442 13.284 ( -4.090 9.609 0.000) 10.443 13.474 ( 0.636 -4.792 0.000) 4.834 13.523 ( -3.838 -3.600 0.000) 5.262 13.859 ( -1.836 5.786 0.000) 6.070 13.871 ( -2.556 -0.762 0.000) 2.667 14.101 ( 1.253 1.231 0.000) 1.757 14.104 ( 5.765 -2.118 0.000) 6.142 14.137 ( 1.051 -0.436 0.000) 1.138 14.335 ( -13.642 -0.469 0.000) 13.650 14.526 ( 4.140 0.873 0.000) 4.231 14.574 ( -0.473 1.808 0.000) 1.869 15.175 ( 11.980 -4.002 0.000) 12.630 15.447 ( -14.162 -3.899 0.000) 14.689 15.682 ( 3.830 -3.861 0.000) 5.438 15.761 ( -4.196 -1.960 0.000) 4.631 15.837 ( 5.254 9.343 0.000) 10.719 15.965 ( -10.007 8.069 0.000) 12.855 16.114 ( 7.695 -0.171 0.000) 7.697 16.340 ( -12.445 -6.335 0.000) 13.965 17.765 ( 8.565 14.861 0.000) 17.152 17.883 ( -3.784 14.496 0.000) 14.982 17.904 ( 2.886 13.275 0.000) 13.585 17.931 ( -0.641 15.311 0.000) 15.324 20.930 ( 22.114 0.133 0.000) 22.114 21.157 ( 16.618 -2.246 0.000) 16.769 21.339 ( -19.270 -2.038 0.000) 19.377 21.468 ( -15.764 -2.880 0.000) 16.025 23.414 ( 2.417 14.107 0.000) 14.312 23.426 ( 1.407 12.227 0.000) 12.307 23.526 ( 2.033 13.417 0.000) 13.570 23.539 ( 0.881 10.539 0.000) 10.576 27.832 ( 0.408 11.744 0.000) 11.751 27.847 ( -1.294 12.360 0.000) 12.428 27.859 ( 3.478 12.557 0.000) 13.029 27.946 ( -5.396 14.176 0.000) 15.168 28.835 ( 9.405 8.661 0.000) 12.785 28.995 ( 8.153 11.422 0.000) 14.033 29.029 ( -10.165 7.730 0.000) 12.770 29.157 ( -8.458 10.904 0.000) 13.800 30.380 ( 5.877 -2.353 0.000) 6.330 30.408 ( 2.921 -0.521 0.000) 2.967 30.741 ( 7.385 -3.395 0.000) 8.127 30.881 ( -7.143 -8.692 0.000) 11.250 30.946 ( 9.234 -8.823 0.000) 12.771 31.146 ( -10.783 -5.579 0.000) 12.141 31.326 ( 13.894 -11.256 0.000) 17.882 31.603 ( -14.117 -12.857 0.000) 19.094 33.973 ( 7.844 -0.602 0.000) 7.867 34.135 ( -8.616 -2.898 0.000) 9.091 34.472 ( 19.993 -7.433 0.000) 21.330 34.909 ( -24.505 -12.390 0.000) 27.459 ======================= Grid point 27 (16/60) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 0.000 25.243 0.000) 25.243 2.693 ( 0.000 16.267 0.000) 16.267 2.756 ( 0.000 15.371 0.000) 15.371 2.976 ( 0.000 34.116 0.000) 34.116 3.112 ( 0.000 7.185 0.000) 7.185 3.438 ( 0.000 22.804 0.000) 22.804 3.695 ( 0.000 37.240 0.000) 37.240 3.916 ( 0.000 0.873 0.000) 0.873 3.943 ( 0.000 1.665 0.000) 1.665 4.280 ( 0.000 0.893 0.000) 0.893 4.388 ( 0.000 -5.209 0.000) 5.209 4.804 ( 0.000 7.526 0.000) 7.526 4.929 ( 0.000 -6.039 0.000) 6.039 5.686 ( 0.000 10.254 0.000) 10.254 5.697 ( 0.000 -30.838 0.000) 30.838 6.149 ( 0.000 -19.095 0.000) 19.095 6.151 ( 0.000 22.950 0.000) 22.950 6.333 ( 0.000 0.551 0.000) 0.551 6.537 ( 0.000 40.929 0.000) 40.929 6.756 ( 0.000 -20.766 0.000) 20.766 6.914 ( 0.000 1.213 0.000) 1.213 7.102 ( 0.000 4.309 0.000) 4.309 7.599 ( 0.000 -13.845 0.000) 13.845 7.825 ( 0.000 -8.013 0.000) 8.013 7.970 ( 0.000 1.363 0.000) 1.363 8.025 ( 0.000 -29.439 0.000) 29.439 8.059 ( 0.000 4.821 0.000) 4.821 8.600 ( 0.000 -10.853 0.000) 10.853 8.641 ( 0.000 -10.460 0.000) 10.460 8.914 ( 0.000 0.706 0.000) 0.706 9.053 ( 0.000 -23.379 0.000) 23.379 9.621 ( 0.000 -2.032 0.000) 2.032 9.761 ( 0.000 -12.254 0.000) 12.254 9.931 ( 0.000 -5.405 0.000) 5.405 10.014 ( 0.000 0.702 0.000) 0.702 10.291 ( 0.000 -7.357 0.000) 7.357 10.737 ( 0.000 -8.924 0.000) 8.924 10.801 ( 0.000 -6.756 0.000) 6.756 10.875 ( 0.000 -6.113 0.000) 6.113 11.002 ( 0.000 -10.433 0.000) 10.433 11.009 ( 0.000 15.508 0.000) 15.508 11.051 ( 0.000 -5.500 0.000) 5.500 11.085 ( 0.000 2.371 0.000) 2.371 11.399 ( 0.000 10.452 0.000) 10.452 11.495 ( 0.000 4.442 0.000) 4.442 11.518 ( 0.000 2.692 0.000) 2.692 11.632 ( 0.000 -6.760 0.000) 6.760 11.812 ( 0.000 -5.427 0.000) 5.427 11.939 ( 0.000 11.724 0.000) 11.724 11.951 ( 0.000 -6.955 0.000) 6.955 11.968 ( 0.000 11.321 0.000) 11.321 12.512 ( 0.000 -4.015 0.000) 4.015 12.662 ( 0.000 -2.167 0.000) 2.167 12.680 ( 0.000 6.710 0.000) 6.710 12.927 ( 0.000 -1.470 0.000) 1.470 13.177 ( 0.000 7.273 0.000) 7.273 13.290 ( 0.000 -17.715 0.000) 17.715 13.445 ( 0.000 -14.675 0.000) 14.675 13.448 ( 0.000 -12.732 0.000) 12.732 13.481 ( 0.000 0.696 0.000) 0.696 13.802 ( 0.000 -8.218 0.000) 8.218 13.869 ( 0.000 -6.443 0.000) 6.443 14.009 ( 0.000 -13.407 0.000) 13.407 14.026 ( 0.000 3.009 0.000) 3.009 14.110 ( 0.000 -4.276 0.000) 4.276 14.342 ( 0.000 10.511 0.000) 10.511 14.355 ( 0.000 -2.533 0.000) 2.533 14.432 ( 0.000 -6.584 0.000) 6.584 15.408 ( 0.000 2.208 0.000) 2.208 15.601 ( 0.000 19.586 0.000) 19.586 15.994 ( 0.000 10.136 0.000) 10.136 16.177 ( 0.000 11.057 0.000) 11.057 16.422 ( 0.000 -2.730 0.000) 2.730 16.461 ( 0.000 -8.110 0.000) 8.110 16.476 ( 0.000 5.346 0.000) 5.346 16.621 ( 0.000 -5.312 0.000) 5.312 17.559 ( 0.000 22.716 0.000) 22.716 17.811 ( 0.000 14.272 0.000) 14.272 18.645 ( 0.000 -10.665 0.000) 10.665 18.726 ( 0.000 -10.496 0.000) 10.496 19.730 ( 0.000 37.649 0.000) 37.649 20.065 ( 0.000 34.635 0.000) 34.635 22.064 ( 0.000 -13.512 0.000) 13.512 22.217 ( 0.000 -12.844 0.000) 12.844 22.778 ( 0.000 11.784 0.000) 11.784 23.195 ( 0.000 4.350 0.000) 4.350 23.351 ( 0.000 8.051 0.000) 8.051 23.523 ( 0.000 7.128 0.000) 7.128 27.971 ( 0.000 10.840 0.000) 10.840 28.108 ( 0.000 11.283 0.000) 11.283 28.335 ( 0.000 6.396 0.000) 6.396 28.363 ( 0.000 4.659 0.000) 4.659 28.901 ( 0.000 19.959 0.000) 19.959 29.380 ( 0.000 5.643 0.000) 5.643 29.694 ( 0.000 -1.221 0.000) 1.221 29.757 ( 0.000 6.137 0.000) 6.137 29.803 ( 0.000 11.945 0.000) 11.945 30.113 ( 0.000 11.196 0.000) 11.196 30.132 ( 0.000 -8.433 0.000) 8.433 30.414 ( 0.000 -9.191 0.000) 9.191 30.499 ( 0.000 15.744 0.000) 15.744 30.672 ( 0.000 -5.651 0.000) 5.651 31.394 ( 0.000 -12.857 0.000) 12.857 32.161 ( 0.000 -18.481 0.000) 18.481 33.669 ( 0.000 5.205 0.000) 5.205 33.783 ( 0.000 11.538 0.000) 11.538 34.399 ( 0.000 -10.197 0.000) 10.197 35.745 ( 0.000 -35.387 0.000) 35.387 ======================= Grid point 28 (17/60) ======================= q-point: ( 0.11 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 7.426 28.572 0.000) 29.521 2.646 ( -14.860 29.296 0.000) 32.849 2.808 ( 13.511 7.504 0.000) 15.455 2.854 ( 0.155 20.308 0.000) 20.308 3.308 ( 17.999 5.609 0.000) 18.853 3.370 ( -3.566 18.598 0.000) 18.937 3.905 ( 1.157 6.072 0.000) 6.181 3.976 ( 10.490 15.680 0.000) 18.865 4.108 ( 12.110 -0.921 0.000) 12.145 4.249 ( -2.315 0.369 0.000) 2.345 4.397 ( 1.793 -3.727 0.000) 4.136 4.794 ( -5.291 -4.562 0.000) 6.986 4.875 ( 8.830 16.090 0.000) 18.354 5.511 ( -35.709 20.206 0.000) 41.030 5.655 ( 6.580 16.867 0.000) 18.105 6.012 ( -19.369 -1.423 0.000) 19.421 6.093 ( 26.083 -21.224 0.000) 33.628 6.265 ( -7.674 -0.964 0.000) 7.734 6.727 ( -1.813 -11.201 0.000) 11.346 6.873 ( 17.911 12.872 0.000) 22.057 7.149 ( 14.972 4.438 0.000) 15.616 7.235 ( 11.603 -4.578 0.000) 12.474 7.495 ( -13.525 -3.820 0.000) 14.054 7.783 ( 15.033 2.138 0.000) 15.184 7.887 ( -13.278 -29.222 0.000) 32.098 8.116 ( 5.127 2.156 0.000) 5.562 8.260 ( 17.292 -0.650 0.000) 17.304 8.586 ( -6.166 -12.695 0.000) 14.113 8.706 ( 9.487 -12.802 0.000) 15.934 8.867 ( -4.460 1.768 0.000) 4.798 8.969 ( -7.237 -15.760 0.000) 17.342 9.656 ( 4.286 -7.028 0.000) 8.232 9.763 ( 0.362 -10.656 0.000) 10.663 9.977 ( 2.865 -7.032 0.000) 7.594 9.996 ( -1.632 -0.062 0.000) 1.633 10.273 ( -0.898 -5.793 0.000) 5.863 10.512 ( -17.571 7.555 0.000) 19.127 10.718 ( -6.261 -8.787 0.000) 10.789 10.783 ( -4.755 -12.274 0.000) 13.162 10.918 ( -6.539 -9.921 0.000) 11.883 11.035 ( -2.989 -7.737 0.000) 8.294 11.150 ( 7.587 1.038 0.000) 7.658 11.190 ( 4.532 -1.509 0.000) 4.777 11.468 ( -5.100 4.596 0.000) 6.865 11.505 ( -0.656 0.225 0.000) 0.694 11.507 ( 8.367 11.823 0.000) 14.485 11.619 ( 0.046 -4.388 0.000) 4.388 11.733 ( -9.492 -5.208 0.000) 10.827 11.771 ( -4.320 3.875 0.000) 5.803 11.984 ( 3.631 10.317 0.000) 10.938 12.092 ( 4.263 -4.343 0.000) 6.085 12.537 ( -11.556 -2.345 0.000) 11.792 12.567 ( 3.459 0.903 0.000) 3.575 12.660 ( -2.861 6.324 0.000) 6.941 12.884 ( -2.625 0.209 0.000) 2.633 13.121 ( -13.152 -12.816 0.000) 18.364 13.122 ( -5.563 7.601 0.000) 9.419 13.322 ( -4.780 -8.186 0.000) 9.480 13.459 ( 1.002 -12.016 0.000) 12.057 13.656 ( 8.308 -5.117 0.000) 9.758 13.742 ( -4.750 -5.249 0.000) 7.079 13.893 ( 3.786 -6.333 0.000) 7.378 13.966 ( -8.237 -14.697 0.000) 16.848 14.062 ( 2.887 1.922 0.000) 3.468 14.113 ( 5.817 -0.802 0.000) 5.872 14.383 ( 0.249 7.552 0.000) 7.556 14.418 ( 1.381 -3.710 0.000) 3.959 14.433 ( 5.014 -2.131 0.000) 5.448 15.420 ( 0.810 -0.718 0.000) 1.083 15.557 ( -2.909 17.947 0.000) 18.182 16.030 ( -0.851 10.540 0.000) 10.575 16.168 ( -2.729 8.150 0.000) 8.594 16.242 ( -14.121 -3.884 0.000) 14.645 16.429 ( -3.026 -4.370 0.000) 5.316 16.480 ( 1.193 2.044 0.000) 2.366 16.573 ( -5.659 -2.275 0.000) 6.099 17.575 ( 1.517 21.526 0.000) 21.579 17.823 ( 3.095 15.172 0.000) 15.485 18.504 ( -11.907 -3.738 0.000) 12.480 18.585 ( -11.198 -2.330 0.000) 11.438 19.924 ( 16.747 30.140 0.000) 34.480 20.233 ( 15.041 26.979 0.000) 30.888 22.004 ( -5.702 -9.242 0.000) 10.859 22.196 ( -3.544 -10.736 0.000) 11.306 22.905 ( 12.016 7.304 0.000) 14.062 23.243 ( 5.144 2.726 0.000) 5.822 23.386 ( 3.460 7.772 0.000) 8.508 23.549 ( 2.528 6.926 0.000) 7.373 27.978 ( 0.773 10.976 0.000) 11.003 28.103 ( -0.488 11.336 0.000) 11.346 28.324 ( -3.390 6.927 0.000) 7.712 28.354 ( 1.381 6.144 0.000) 6.297 28.925 ( 2.443 17.927 0.000) 18.093 29.253 ( -11.742 11.159 0.000) 16.198 29.660 ( -3.700 1.123 0.000) 3.866 29.731 ( -2.426 6.586 0.000) 7.019 29.818 ( 4.257 9.268 0.000) 10.199 30.132 ( 2.874 6.346 0.000) 6.966 30.192 ( 4.891 -6.099 0.000) 7.818 30.521 ( 2.399 13.859 0.000) 14.065 30.554 ( 10.159 -12.611 0.000) 16.194 30.697 ( 2.455 -6.026 0.000) 6.507 31.374 ( -2.025 -12.177 0.000) 12.345 32.074 ( -8.295 -17.013 0.000) 18.928 33.722 ( 5.057 3.815 0.000) 6.335 33.798 ( 1.443 10.450 0.000) 10.549 34.372 ( -2.729 -9.629 0.000) 10.008 35.642 ( -10.254 -33.096 0.000) 34.648 ======================= Grid point 29 (18/60) ======================= q-point: ( 0.22 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( -8.026 25.499 0.000) 26.732 2.531 ( 9.567 23.159 0.000) 25.057 2.950 ( 8.266 13.142 0.000) 15.525 3.224 ( 26.131 4.099 0.000) 26.451 3.312 ( -1.846 14.692 0.000) 14.808 3.701 ( 18.481 -0.809 0.000) 18.499 3.869 ( -13.891 -12.213 0.000) 18.496 3.869 ( -7.057 4.828 0.000) 8.551 4.194 ( -4.578 -0.248 0.000) 4.585 4.323 ( 6.896 5.485 0.000) 8.812 4.503 ( 6.944 3.150 0.000) 7.625 4.709 ( -3.793 -4.407 0.000) 5.814 4.914 ( -19.380 16.915 0.000) 25.724 5.348 ( 34.185 39.079 0.000) 51.921 5.667 ( -12.349 -0.853 0.000) 12.379 5.903 ( 17.147 31.962 0.000) 36.271 6.066 ( -10.654 -1.284 0.000) 10.731 6.602 ( 20.712 -11.367 0.000) 23.626 6.684 ( -0.956 -7.001 0.000) 7.066 6.976 ( -7.421 -5.311 0.000) 9.125 7.353 ( 7.422 4.320 0.000) 8.588 7.403 ( 6.127 14.499 0.000) 15.740 7.482 ( 4.204 -13.141 0.000) 13.797 7.569 ( -8.854 -26.429 0.000) 27.873 8.172 ( -5.429 -9.103 0.000) 10.599 8.270 ( 28.773 11.640 0.000) 31.038 8.453 ( -0.982 -11.150 0.000) 11.193 8.541 ( 8.160 3.673 0.000) 8.948 8.765 ( -0.852 1.850 0.000) 2.037 8.825 ( -7.070 -4.913 0.000) 8.610 8.938 ( 11.774 -17.991 0.000) 21.501 9.782 ( 1.515 -7.314 0.000) 7.469 9.800 ( 9.429 -13.631 0.000) 16.574 9.953 ( -3.063 2.490 0.000) 3.948 9.975 ( -2.308 -12.111 0.000) 12.329 10.181 ( -14.127 7.120 0.000) 15.819 10.300 ( 3.501 -1.686 0.000) 3.886 10.592 ( -6.115 -9.393 0.000) 11.208 10.696 ( -4.148 -15.609 0.000) 16.150 10.781 ( -6.991 -10.539 0.000) 12.647 10.933 ( -6.969 -10.899 0.000) 12.937 11.163 ( -7.026 -10.311 0.000) 12.477 11.200 ( -4.935 -1.638 0.000) 5.199 11.316 ( -11.225 3.275 0.000) 11.693 11.415 ( -7.398 -7.391 0.000) 10.457 11.541 ( -7.126 -5.555 0.000) 9.035 11.608 ( 4.174 1.160 0.000) 4.332 11.663 ( 3.037 0.318 0.000) 3.053 11.854 ( 7.531 7.828 0.000) 10.862 11.998 ( -5.533 8.478 0.000) 10.124 12.118 ( -2.180 -3.339 0.000) 3.987 12.320 ( -5.914 2.570 0.000) 6.448 12.549 ( -7.665 -0.201 0.000) 7.667 12.593 ( 1.261 0.816 0.000) 1.502 12.886 ( 0.528 5.081 0.000) 5.109 12.896 ( -9.023 -6.174 0.000) 10.933 13.005 ( -3.302 8.431 0.000) 9.055 13.267 ( -0.345 -4.924 0.000) 4.936 13.479 ( 0.789 -10.775 0.000) 10.804 13.639 ( -3.867 0.836 0.000) 3.956 13.793 ( -6.609 -6.886 0.000) 9.545 13.806 ( 5.918 -4.174 0.000) 7.242 14.051 ( 9.795 -11.652 0.000) 15.222 14.108 ( 1.064 0.093 0.000) 1.068 14.205 ( 2.286 1.016 0.000) 2.502 14.312 ( -5.414 3.441 0.000) 6.415 14.493 ( 4.096 2.220 0.000) 4.658 14.510 ( 2.715 -0.967 0.000) 2.882 15.429 ( 0.124 -5.773 0.000) 5.774 15.522 ( -2.317 13.576 0.000) 13.773 15.745 ( -19.616 4.925 0.000) 20.224 16.017 ( -12.295 1.694 0.000) 12.411 16.122 ( -2.742 3.403 0.000) 4.370 16.343 ( -5.573 -2.782 0.000) 6.229 16.407 ( -9.808 3.064 0.000) 10.276 16.526 ( 2.107 3.273 0.000) 3.892 17.666 ( 8.396 18.514 0.000) 20.329 17.936 ( 7.225 13.651 0.000) 15.445 18.285 ( -8.784 5.074 0.000) 10.144 18.381 ( -8.411 5.703 0.000) 10.162 20.292 ( 19.638 21.690 0.000) 29.259 20.570 ( 17.938 16.938 0.000) 24.671 21.856 ( -9.179 -3.486 0.000) 9.818 22.044 ( -11.710 -5.321 0.000) 12.862 23.187 ( 15.095 2.378 0.000) 15.281 23.386 ( 8.630 0.308 0.000) 8.635 23.473 ( 4.964 7.127 0.000) 8.686 23.614 ( 3.726 6.346 0.000) 7.359 28.002 ( 1.732 11.332 0.000) 11.463 28.092 ( -0.558 11.471 0.000) 11.485 28.243 ( -4.395 10.327 0.000) 11.223 28.376 ( 0.007 6.303 0.000) 6.303 28.994 ( 3.720 14.872 0.000) 15.330 29.032 ( -7.591 16.864 0.000) 18.494 29.552 ( -7.065 5.403 0.000) 8.894 29.662 ( -4.742 8.096 0.000) 9.382 29.966 ( 9.680 3.478 0.000) 10.286 30.219 ( 5.570 4.346 0.000) 7.065 30.307 ( 6.625 -9.783 0.000) 11.815 30.600 ( 5.706 10.085 0.000) 11.587 30.706 ( 4.514 -14.493 0.000) 15.179 30.764 ( 4.438 -7.575 0.000) 8.779 31.313 ( -4.318 -10.477 0.000) 11.332 31.864 ( -12.539 -14.588 0.000) 19.236 33.835 ( 2.755 7.822 0.000) 8.293 33.857 ( 8.171 0.747 0.000) 8.205 34.297 ( -4.813 -8.008 0.000) 9.343 35.367 ( -17.082 -27.326 0.000) 32.226 ======================= Grid point 30 (19/60) ======================= q-point: ( 0.33 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( 5.733 15.640 0.000) 16.658 2.749 ( 12.332 14.817 0.000) 19.278 3.142 ( 9.627 7.628 0.000) 12.283 3.319 ( 2.276 8.761 0.000) 9.051 3.481 ( -13.895 7.779 0.000) 15.925 3.640 ( -6.079 -8.781 0.000) 10.680 3.733 ( -0.306 14.778 0.000) 14.782 3.947 ( 4.206 -9.925 0.000) 10.780 4.073 ( -6.549 -0.217 0.000) 6.553 4.293 ( 3.150 10.529 0.000) 10.990 4.556 ( -1.496 -8.397 0.000) 8.529 4.677 ( 0.808 -2.627 0.000) 2.748 4.923 ( 10.575 3.631 0.000) 11.181 5.648 ( 11.472 8.883 0.000) 14.509 5.969 ( 3.898 7.900 0.000) 8.809 5.983 ( 24.498 37.192 0.000) 44.536 6.185 ( 2.855 36.306 0.000) 36.418 6.541 ( -0.069 -1.648 0.000) 1.650 6.837 ( -2.935 -5.633 0.000) 6.352 6.968 ( 6.500 0.210 0.000) 6.503 7.173 ( -12.951 -18.028 0.000) 22.197 7.443 ( -0.419 12.761 0.000) 12.768 7.531 ( 4.982 15.028 0.000) 15.832 7.753 ( -2.118 -11.371 0.000) 11.567 8.011 ( 6.243 -24.049 0.000) 24.846 8.482 ( -3.624 11.932 0.000) 12.471 8.547 ( 1.884 -0.690 0.000) 2.006 8.727 ( 1.558 -10.234 0.000) 10.352 8.816 ( 19.127 -0.962 0.000) 19.151 8.845 ( 2.629 -9.958 0.000) 10.299 9.175 ( 13.010 -12.241 0.000) 17.863 9.795 ( -2.441 -6.075 0.000) 6.547 9.859 ( -1.250 -9.256 0.000) 9.340 9.869 ( -2.543 7.715 0.000) 8.123 10.049 ( 0.876 0.965 0.000) 1.303 10.076 ( 10.617 -16.498 0.000) 19.619 10.382 ( 4.754 -2.656 0.000) 5.445 10.482 ( -5.562 -12.207 0.000) 13.414 10.616 ( -4.584 -14.946 0.000) 15.633 10.656 ( -6.009 -11.188 0.000) 12.700 10.793 ( -6.220 -12.721 0.000) 14.161 10.975 ( -10.744 -11.012 0.000) 15.385 11.010 ( -18.062 -1.376 0.000) 18.114 11.013 ( -9.948 -8.152 0.000) 12.862 11.268 ( -7.396 -6.641 0.000) 9.940 11.471 ( -1.306 -3.831 0.000) 4.048 11.603 ( -8.461 -1.133 0.000) 8.537 11.648 ( -6.447 -4.473 0.000) 7.847 11.877 ( -0.283 13.096 0.000) 13.099 11.944 ( 2.520 3.563 0.000) 4.364 12.076 ( 0.643 -0.600 0.000) 0.880 12.267 ( -4.810 2.087 0.000) 5.243 12.453 ( 0.315 -2.714 0.000) 2.732 12.620 ( -2.152 -0.769 0.000) 2.286 12.766 ( -3.967 -2.464 0.000) 4.670 12.864 ( 0.810 6.555 0.000) 6.605 13.056 ( 6.686 9.331 0.000) 11.479 13.307 ( 3.930 -1.503 0.000) 4.208 13.477 ( -1.111 -8.059 0.000) 8.136 13.584 ( -2.396 4.194 0.000) 4.830 13.731 ( 0.346 -6.706 0.000) 6.715 13.906 ( 4.553 -2.224 0.000) 5.067 14.064 ( -6.466 -0.528 0.000) 6.487 14.196 ( -1.900 2.383 0.000) 3.048 14.214 ( -2.805 4.506 0.000) 5.308 14.244 ( 8.191 -9.137 0.000) 12.271 14.526 ( -1.686 -1.281 0.000) 2.117 14.564 ( 2.721 0.541 0.000) 2.774 15.268 ( -14.473 7.920 0.000) 16.498 15.431 ( 0.149 -8.499 0.000) 8.500 15.643 ( 1.275 -0.648 0.000) 1.430 15.726 ( -16.088 -3.880 0.000) 16.549 16.059 ( -1.400 10.750 0.000) 10.840 16.232 ( -5.125 3.552 0.000) 6.235 16.255 ( -5.100 6.762 0.000) 8.470 16.509 ( -4.324 4.245 0.000) 6.060 17.866 ( 10.595 14.134 0.000) 17.664 18.071 ( 6.054 11.901 0.000) 13.352 18.176 ( -2.831 8.517 0.000) 8.975 18.267 ( -3.648 9.717 0.000) 10.379 20.672 ( 19.007 14.963 0.000) 24.190 20.907 ( 16.261 10.580 0.000) 19.400 21.648 ( -12.199 0.394 0.000) 12.206 21.771 ( -15.174 -0.334 0.000) 15.178 23.447 ( 10.776 2.116 0.000) 10.982 23.547 ( 7.306 0.197 0.000) 7.308 23.565 ( 4.047 6.348 0.000) 7.529 23.681 ( 2.743 5.368 0.000) 6.028 28.048 ( 2.877 11.768 0.000) 12.115 28.085 ( -0.036 11.694 0.000) 11.694 28.165 ( -3.424 11.988 0.000) 12.468 28.330 ( -4.538 9.160 0.000) 10.222 28.959 ( 1.585 15.342 0.000) 15.423 29.110 ( 6.539 13.014 0.000) 14.565 29.395 ( -8.736 8.124 0.000) 11.930 29.547 ( -6.879 10.243 0.000) 12.338 30.159 ( 9.294 -1.479 0.000) 9.411 30.327 ( 4.668 -0.115 0.000) 4.669 30.439 ( 6.549 -10.721 0.000) 12.563 30.733 ( -1.361 -12.477 0.000) 12.551 30.735 ( 7.695 6.475 0.000) 10.057 30.881 ( 7.901 -10.154 0.000) 12.866 31.204 ( -6.755 -7.883 0.000) 10.381 31.603 ( -13.791 -13.070 0.000) 19.001 33.894 ( 3.515 4.600 0.000) 5.790 34.051 ( 11.459 -3.189 0.000) 11.895 34.191 ( -5.811 -5.535 0.000) 8.025 35.003 ( -19.357 -20.267 0.000) 28.025 ======================= Grid point 31 (20/60) ======================= q-point: ( 0.44 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 16.897 11.030 0.000) 20.178 2.920 ( -5.027 11.337 0.000) 12.401 3.150 ( -5.113 5.178 0.000) 7.277 3.277 ( -7.461 2.297 0.000) 7.806 3.305 ( 8.887 9.055 0.000) 12.687 3.536 ( -14.270 17.537 0.000) 22.609 3.734 ( 11.540 -5.262 0.000) 12.683 3.899 ( -5.709 -4.753 0.000) 7.429 4.025 ( 4.685 0.930 0.000) 4.776 4.274 ( -15.369 -7.237 0.000) 16.987 4.661 ( 10.880 -12.014 0.000) 16.209 4.717 ( 1.954 -5.189 0.000) 5.545 5.205 ( 21.945 6.985 0.000) 23.030 5.757 ( -29.523 5.911 0.000) 30.109 6.002 ( 20.263 26.542 0.000) 33.392 6.238 ( 20.832 5.911 0.000) 21.655 6.279 ( -3.326 38.508 0.000) 38.651 6.639 ( -13.479 3.343 0.000) 13.887 6.860 ( 6.874 11.093 0.000) 13.050 6.890 ( 6.133 -3.216 0.000) 6.925 7.177 ( 3.160 3.405 0.000) 4.645 7.313 ( -11.016 17.972 0.000) 21.080 7.567 ( -1.360 10.804 0.000) 10.889 7.568 ( -6.047 -3.582 0.000) 7.028 8.381 ( 21.956 -23.848 0.000) 32.416 8.445 ( 0.015 8.353 0.000) 8.353 8.480 ( -3.651 7.166 0.000) 8.042 8.745 ( -13.029 -17.886 0.000) 22.128 8.887 ( 9.149 -18.320 0.000) 20.477 8.990 ( -0.156 -15.883 0.000) 15.884 9.460 ( 14.060 -2.255 0.000) 14.239 9.672 ( -8.194 -0.280 0.000) 8.199 9.892 ( 4.237 -4.429 0.000) 6.129 9.920 ( 3.780 -2.849 0.000) 4.733 10.143 ( 8.060 -1.549 0.000) 8.208 10.225 ( 3.795 -11.016 0.000) 11.652 10.338 ( -7.576 -12.781 0.000) 14.858 10.415 ( -12.248 -12.620 0.000) 17.587 10.526 ( 3.835 -10.414 0.000) 11.097 10.567 ( 1.244 -15.438 0.000) 15.488 10.660 ( -7.703 -13.383 0.000) 15.442 10.720 ( -12.747 -7.609 0.000) 14.846 10.873 ( 6.325 6.007 0.000) 8.722 10.946 ( -0.239 -10.266 0.000) 10.268 11.154 ( -2.009 -8.751 0.000) 8.979 11.310 ( -15.808 2.327 0.000) 15.978 11.479 ( 0.622 -2.275 0.000) 2.358 11.524 ( -4.298 -1.154 0.000) 4.450 11.947 ( 4.988 3.922 0.000) 6.345 11.992 ( 1.380 -2.198 0.000) 2.596 12.096 ( 0.409 -1.267 0.000) 1.331 12.147 ( -5.400 -0.933 0.000) 5.480 12.488 ( 1.385 1.151 0.000) 1.801 12.532 ( -4.151 4.390 0.000) 6.041 12.762 ( 3.410 -1.001 0.000) 3.554 12.847 ( -3.607 0.290 0.000) 3.619 13.268 ( 13.274 9.534 0.000) 16.343 13.389 ( 3.460 -0.589 0.000) 3.510 13.448 ( -1.672 -3.384 0.000) 3.775 13.499 ( -7.505 6.506 0.000) 9.933 13.773 ( 3.299 -5.544 0.000) 6.451 13.874 ( -7.455 -0.721 0.000) 7.490 14.039 ( 6.177 -2.808 0.000) 6.785 14.144 ( -3.392 1.230 0.000) 3.608 14.206 ( 1.564 3.627 0.000) 3.950 14.289 ( -5.325 -2.117 0.000) 5.730 14.510 ( 3.365 -3.114 0.000) 4.584 14.578 ( -1.717 -2.168 0.000) 2.766 15.169 ( 4.048 2.351 0.000) 4.681 15.350 ( -11.463 -2.392 0.000) 11.710 15.528 ( 0.382 -10.209 0.000) 10.216 15.601 ( -4.749 -7.802 0.000) 9.134 16.125 ( 4.895 14.208 0.000) 15.028 16.162 ( -1.856 9.491 0.000) 9.671 16.211 ( 2.476 7.064 0.000) 7.485 16.368 ( -9.362 6.776 0.000) 11.557 18.043 ( 6.953 11.063 0.000) 13.067 18.134 ( -2.638 9.272 0.000) 9.640 18.164 ( 3.476 11.174 0.000) 11.702 18.216 ( -2.161 11.118 0.000) 11.326 21.034 ( 17.932 9.117 0.000) 20.117 21.206 ( 14.437 6.572 0.000) 15.862 21.370 ( -16.093 4.098 0.000) 16.607 21.482 ( -14.126 3.511 0.000) 14.556 23.593 ( 4.047 3.929 0.000) 5.641 23.618 ( 1.067 5.334 0.000) 5.440 23.662 ( 4.238 1.711 0.000) 4.571 23.707 ( -0.339 3.833 0.000) 3.848 28.086 ( 0.829 11.987 0.000) 12.016 28.112 ( -1.957 12.253 0.000) 12.408 28.124 ( 4.337 12.072 0.000) 12.828 28.224 ( -5.644 11.589 0.000) 12.890 29.055 ( 7.283 12.060 0.000) 14.088 29.219 ( -8.983 9.964 0.000) 13.415 29.249 ( 7.583 12.139 0.000) 14.313 29.401 ( -7.777 11.493 0.000) 13.877 30.310 ( 5.771 -4.675 0.000) 7.427 30.373 ( -0.406 -4.798 0.000) 4.815 30.563 ( 6.085 -8.679 0.000) 10.600 30.670 ( -4.653 -9.648 0.000) 10.711 30.892 ( 8.242 1.053 0.000) 8.309 31.055 ( -8.233 -4.107 0.000) 9.200 31.078 ( 11.950 -11.463 0.000) 16.559 31.332 ( -13.636 -12.225 0.000) 18.314 33.975 ( 4.698 1.021 0.000) 4.807 34.077 ( -5.656 -2.446 0.000) 6.162 34.308 ( 14.898 -7.838 0.000) 16.834 34.632 ( -18.049 -13.550 0.000) 22.569 ======================= Grid point 36 (21/60) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 0.000 16.417 0.000) 16.417 2.996 ( 0.000 6.753 0.000) 6.753 3.185 ( 0.000 24.073 0.000) 24.073 3.317 ( 0.000 12.643 0.000) 12.643 3.428 ( 0.000 10.568 0.000) 10.568 3.887 ( 0.000 13.447 0.000) 13.447 3.893 ( 0.000 -3.109 0.000) 3.109 4.000 ( 0.000 4.099 0.000) 4.099 4.032 ( 0.000 -18.455 0.000) 18.455 4.144 ( 0.000 6.174 0.000) 6.174 4.374 ( 0.000 6.192 0.000) 6.192 4.837 ( 0.000 -5.362 0.000) 5.362 4.936 ( 0.000 6.983 0.000) 6.983 5.265 ( 0.000 -7.054 0.000) 7.054 5.657 ( 0.000 -24.725 0.000) 24.725 5.919 ( 0.000 -20.806 0.000) 20.806 5.999 ( 0.000 17.294 0.000) 17.294 6.476 ( 0.000 -2.178 0.000) 2.178 6.684 ( 0.000 9.426 0.000) 9.426 6.736 ( 0.000 -16.392 0.000) 16.392 7.252 ( 0.000 15.203 0.000) 15.203 7.332 ( 0.000 13.941 0.000) 13.941 7.509 ( 0.000 2.573 0.000) 2.573 7.511 ( 0.000 -19.313 0.000) 19.313 7.625 ( 0.000 1.012 0.000) 1.012 8.150 ( 0.000 12.720 0.000) 12.720 8.260 ( 0.000 13.695 0.000) 13.695 8.476 ( 0.000 -4.982 0.000) 4.982 8.516 ( 0.000 -25.503 0.000) 25.503 8.687 ( 0.000 16.901 0.000) 16.901 8.836 ( 0.000 -8.921 0.000) 8.921 9.516 ( 0.000 -14.378 0.000) 14.378 9.819 ( 0.000 21.640 0.000) 21.640 9.918 ( 0.000 3.687 0.000) 3.687 9.969 ( 0.000 -4.627 0.000) 4.627 10.131 ( 0.000 -7.220 0.000) 7.220 10.433 ( 0.000 -14.129 0.000) 14.129 10.760 ( 0.000 -0.871 0.000) 0.871 10.764 ( 0.000 -5.063 0.000) 5.063 10.840 ( 0.000 -5.116 0.000) 5.116 10.943 ( 0.000 -4.484 0.000) 4.484 11.085 ( 0.000 -11.809 0.000) 11.809 11.124 ( 0.000 0.942 0.000) 0.942 11.350 ( 0.000 -11.672 0.000) 11.672 11.565 ( 0.000 2.645 0.000) 2.645 11.580 ( 0.000 4.037 0.000) 4.037 11.675 ( 0.000 4.973 0.000) 4.973 11.815 ( 0.000 12.773 0.000) 12.773 11.831 ( 0.000 -4.071 0.000) 4.071 12.187 ( 0.000 11.198 0.000) 11.198 12.265 ( 0.000 15.420 0.000) 15.420 12.505 ( 0.000 2.112 0.000) 2.112 12.612 ( 0.000 -2.399 0.000) 2.399 12.709 ( 0.000 -8.606 0.000) 8.606 12.805 ( 0.000 -9.137 0.000) 9.137 12.872 ( 0.000 -15.136 0.000) 15.136 13.182 ( 0.000 -9.499 0.000) 9.499 13.205 ( 0.000 -9.812 0.000) 9.812 13.386 ( 0.000 12.489 0.000) 12.489 13.491 ( 0.000 0.776 0.000) 0.776 13.668 ( 0.000 -4.116 0.000) 4.116 13.708 ( 0.000 -11.732 0.000) 11.732 13.736 ( 0.000 -6.119 0.000) 6.119 13.948 ( 0.000 -9.671 0.000) 9.671 14.143 ( 0.000 3.846 0.000) 3.846 14.299 ( 0.000 -1.963 0.000) 1.963 14.322 ( 0.000 -3.611 0.000) 3.611 14.370 ( 0.000 -4.819 0.000) 4.819 15.621 ( 0.000 15.026 0.000) 15.026 16.015 ( 0.000 18.188 0.000) 18.188 16.077 ( 0.000 -2.066 0.000) 2.066 16.342 ( 0.000 4.265 0.000) 4.265 16.366 ( 0.000 -1.016 0.000) 1.016 16.419 ( 0.000 1.667 0.000) 1.667 16.494 ( 0.000 -5.979 0.000) 5.979 16.516 ( 0.000 -1.428 0.000) 1.428 17.952 ( 0.000 15.248 0.000) 15.248 18.114 ( 0.000 13.802 0.000) 13.802 18.432 ( 0.000 -9.911 0.000) 9.911 18.542 ( 0.000 -7.907 0.000) 7.907 20.497 ( 0.000 35.121 0.000) 35.121 20.765 ( 0.000 31.996 0.000) 31.996 21.699 ( 0.000 -21.471 0.000) 21.471 21.873 ( 0.000 -20.147 0.000) 20.147 23.077 ( 0.000 15.667 0.000) 15.667 23.304 ( 0.000 5.724 0.000) 5.724 23.443 ( 0.000 0.881 0.000) 0.881 23.560 ( 0.000 -3.550 0.000) 3.550 28.183 ( 0.000 9.127 0.000) 9.127 28.305 ( 0.000 7.352 0.000) 7.352 28.406 ( 0.000 -0.664 0.000) 0.664 28.422 ( 0.000 1.812 0.000) 1.812 29.248 ( 0.000 13.582 0.000) 13.582 29.536 ( 0.000 8.998 0.000) 8.998 29.624 ( 0.000 -5.215 0.000) 5.215 29.893 ( 0.000 6.943 0.000) 6.943 29.944 ( 0.000 -9.529 0.000) 9.529 30.068 ( 0.000 12.952 0.000) 12.952 30.224 ( 0.000 -8.881 0.000) 8.881 30.400 ( 0.000 15.733 0.000) 15.733 30.527 ( 0.000 -8.333 0.000) 8.333 30.874 ( 0.000 19.760 0.000) 19.760 31.092 ( 0.000 -15.841 0.000) 15.841 31.748 ( 0.000 -20.784 0.000) 20.784 33.801 ( 0.000 7.379 0.000) 7.379 34.080 ( 0.000 17.106 0.000) 17.106 34.182 ( 0.000 -10.385 0.000) 10.385 35.060 ( 0.000 -29.993 0.000) 29.993 ======================= Grid point 37 (22/60) ======================= q-point: ( 0.11 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( 12.693 13.332 0.000) 18.408 3.006 ( 0.367 9.078 0.000) 9.085 3.049 ( -6.185 15.409 0.000) 16.604 3.298 ( -11.126 13.805 0.000) 17.730 3.505 ( 12.424 12.188 0.000) 17.404 3.765 ( -7.971 19.239 0.000) 20.825 3.863 ( -17.098 -12.415 0.000) 21.130 3.900 ( 0.335 -6.234 0.000) 6.243 4.095 ( 0.475 -12.463 0.000) 12.472 4.163 ( 13.351 4.898 0.000) 14.221 4.428 ( 5.894 7.632 0.000) 9.643 4.772 ( -5.497 -1.899 0.000) 5.816 5.312 ( 30.931 17.631 0.000) 35.603 5.495 ( -11.433 -17.333 0.000) 20.764 5.574 ( 27.064 -16.182 0.000) 31.533 5.850 ( -11.766 -5.258 0.000) 12.887 6.162 ( 15.215 18.199 0.000) 23.721 6.289 ( -18.017 1.227 0.000) 18.059 6.504 ( 2.354 -5.051 0.000) 5.572 7.069 ( 15.510 -12.444 0.000) 19.885 7.226 ( -4.636 15.406 0.000) 16.088 7.301 ( -4.961 -1.917 0.000) 5.318 7.380 ( -0.607 -10.755 0.000) 10.773 7.409 ( -6.745 -7.139 0.000) 9.821 7.973 ( 25.456 12.595 0.000) 28.401 8.254 ( -4.059 4.846 0.000) 6.322 8.303 ( 12.132 6.465 0.000) 13.747 8.387 ( -0.652 -0.560 0.000) 0.860 8.648 ( 6.605 -12.618 0.000) 14.242 8.722 ( 3.726 14.351 0.000) 14.827 8.839 ( 0.001 -6.688 0.000) 6.688 9.528 ( 1.370 -14.310 0.000) 14.375 9.739 ( -4.505 13.138 0.000) 13.889 9.950 ( -1.323 -4.422 0.000) 4.616 9.958 ( -1.403 7.414 0.000) 7.546 10.137 ( 2.929 -6.132 0.000) 6.795 10.379 ( -5.491 -14.988 0.000) 15.962 10.638 ( -9.284 -4.402 0.000) 10.275 10.651 ( -11.272 2.254 0.000) 11.495 10.758 ( -7.374 -4.727 0.000) 8.759 10.869 ( -6.604 -7.900 0.000) 10.297 11.075 ( 2.682 -13.631 0.000) 13.893 11.169 ( -2.542 0.594 0.000) 2.611 11.350 ( -1.905 -8.923 0.000) 9.124 11.553 ( -5.010 -3.997 0.000) 6.409 11.561 ( -3.292 2.404 0.000) 4.076 11.630 ( -1.713 2.791 0.000) 3.275 11.707 ( -4.802 3.912 0.000) 6.194 11.942 ( 6.021 10.329 0.000) 11.955 12.107 ( -6.859 7.140 0.000) 9.901 12.222 ( 2.674 11.127 0.000) 11.443 12.427 ( -12.276 -7.026 0.000) 14.144 12.611 ( 2.200 -0.057 0.000) 2.201 12.687 ( -6.934 -10.911 0.000) 12.928 12.860 ( 6.329 -0.737 0.000) 6.372 12.868 ( -0.568 -3.117 0.000) 3.168 13.143 ( -3.010 -7.781 0.000) 8.343 13.157 ( -1.834 -7.119 0.000) 7.351 13.389 ( -0.109 9.747 0.000) 9.748 13.589 ( 7.051 -2.297 0.000) 7.416 13.654 ( -0.841 -2.516 0.000) 2.653 13.666 ( -1.436 -8.689 0.000) 8.807 13.792 ( 3.214 -5.986 0.000) 6.794 13.975 ( 2.503 -9.548 0.000) 9.871 14.172 ( 3.699 4.551 0.000) 5.865 14.311 ( -0.416 -2.974 0.000) 3.003 14.352 ( 4.136 -4.093 0.000) 5.819 14.420 ( 3.768 -5.015 0.000) 6.273 15.577 ( -4.421 13.209 0.000) 13.929 15.902 ( -7.237 10.340 0.000) 12.621 16.154 ( -0.442 0.570 0.000) 0.721 16.219 ( -9.709 -1.327 0.000) 9.799 16.221 ( -12.199 4.605 0.000) 13.039 16.421 ( 0.684 3.771 0.000) 3.832 16.507 ( 0.980 -2.201 0.000) 2.409 16.518 ( -1.089 -2.156 0.000) 2.416 17.952 ( 0.381 14.743 0.000) 14.748 18.128 ( 2.021 13.224 0.000) 13.378 18.384 ( -4.133 -7.237 0.000) 8.334 18.499 ( -3.758 -5.355 0.000) 6.542 20.596 ( 9.238 32.339 0.000) 33.633 20.837 ( 6.850 29.440 0.000) 30.226 21.711 ( 0.653 -18.950 0.000) 18.961 21.887 ( 0.606 -18.888 0.000) 18.898 23.133 ( 5.653 13.447 0.000) 14.587 23.327 ( 2.667 5.044 0.000) 5.706 23.470 ( 2.718 0.472 0.000) 2.759 23.582 ( 2.147 -3.668 0.000) 4.250 28.192 ( 0.953 9.154 0.000) 9.204 28.303 ( -0.163 7.604 0.000) 7.606 28.401 ( -0.573 0.381 0.000) 0.688 28.433 ( 0.987 1.435 0.000) 1.741 29.252 ( 0.637 13.374 0.000) 13.389 29.481 ( -5.331 11.080 0.000) 12.296 29.620 ( -0.521 -4.460 0.000) 4.490 29.869 ( -2.326 4.661 0.000) 5.209 29.969 ( 2.307 -8.245 0.000) 8.562 30.017 ( -1.275 8.176 0.000) 8.275 30.342 ( 7.845 -6.902 0.000) 10.449 30.413 ( 1.441 13.909 0.000) 13.984 30.547 ( 1.885 -6.827 0.000) 7.082 30.868 ( -0.434 18.314 0.000) 18.320 31.087 ( -0.566 -15.114 0.000) 15.125 31.690 ( -5.716 -19.527 0.000) 20.346 33.826 ( 2.486 6.200 0.000) 6.679 34.072 ( -0.754 16.009 0.000) 16.027 34.168 ( -1.374 -9.662 0.000) 9.759 34.997 ( -6.229 -28.320 0.000) 28.997 ======================= Grid point 38 (23/60) ======================= q-point: ( 0.22 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( -8.961 22.614 0.000) 24.325 2.949 ( 1.440 15.821 0.000) 15.886 3.193 ( 3.140 8.824 0.000) 9.366 3.195 ( 21.240 -1.644 0.000) 21.303 3.552 ( -10.652 -6.481 0.000) 12.468 3.653 ( -5.813 10.598 0.000) 12.087 3.731 ( 9.362 0.386 0.000) 9.370 3.850 ( -6.047 -4.765 0.000) 7.699 4.079 ( -2.204 -8.453 0.000) 8.736 4.361 ( 1.927 -6.439 0.000) 6.722 4.603 ( 11.433 6.646 0.000) 13.224 4.678 ( -3.399 0.807 0.000) 3.493 5.314 ( -16.796 19.556 0.000) 25.779 5.517 ( -3.539 0.526 0.000) 3.578 5.935 ( 27.357 8.499 0.000) 28.647 6.134 ( 1.096 2.526 0.000) 2.753 6.182 ( 31.605 -19.427 0.000) 37.099 6.505 ( 8.903 -3.840 0.000) 9.696 6.555 ( 13.360 16.350 0.000) 21.114 6.946 ( -14.080 0.617 0.000) 14.093 7.106 ( -10.413 -11.862 0.000) 15.784 7.404 ( 14.100 -3.038 0.000) 14.423 7.407 ( 5.972 2.219 0.000) 6.370 7.601 ( 16.639 -0.797 0.000) 16.658 8.065 ( -13.878 2.130 0.000) 14.041 8.435 ( 18.433 3.477 0.000) 18.758 8.453 ( 4.879 10.639 0.000) 11.704 8.528 ( 9.507 -1.445 0.000) 9.616 8.724 ( 0.758 -4.933 0.000) 4.991 8.810 ( -3.705 0.039 0.000) 3.705 8.851 ( 10.123 9.826 0.000) 14.108 9.570 ( 2.568 -13.931 0.000) 14.165 9.692 ( 0.292 2.543 0.000) 2.560 9.868 ( -4.827 3.120 0.000) 5.747 9.949 ( 1.763 -4.184 0.000) 4.540 10.219 ( -10.975 -12.320 0.000) 16.499 10.234 ( 4.925 -2.855 0.000) 5.693 10.405 ( -11.115 -0.091 0.000) 11.115 10.453 ( -9.382 -4.820 0.000) 10.548 10.585 ( -9.916 -7.183 0.000) 12.244 10.726 ( -6.651 -6.717 0.000) 9.452 10.981 ( -14.693 -4.326 0.000) 15.317 11.163 ( 5.231 -12.072 0.000) 13.157 11.215 ( -12.623 -8.971 0.000) 15.486 11.357 ( -13.533 -2.568 0.000) 13.774 11.404 ( -10.172 2.446 0.000) 10.462 11.628 ( -1.060 -2.325 0.000) 2.555 11.635 ( -2.799 -0.175 0.000) 2.804 12.032 ( 1.625 7.517 0.000) 7.690 12.087 ( 2.798 3.215 0.000) 4.262 12.183 ( -6.661 3.053 0.000) 7.327 12.319 ( 1.914 3.607 0.000) 4.084 12.503 ( -9.777 -7.098 0.000) 12.082 12.586 ( -2.188 -2.517 0.000) 3.335 12.802 ( -5.221 -0.558 0.000) 5.250 12.968 ( 1.899 -0.913 0.000) 2.108 13.113 ( 1.602 1.845 0.000) 2.444 13.189 ( 4.378 -2.520 0.000) 5.051 13.386 ( -0.021 4.355 0.000) 4.356 13.621 ( -1.091 -2.630 0.000) 2.847 13.650 ( 0.273 -2.467 0.000) 2.482 13.740 ( 6.822 -1.610 0.000) 7.010 13.893 ( 7.190 -5.116 0.000) 8.825 14.026 ( 2.128 -7.886 0.000) 8.168 14.257 ( 3.566 3.389 0.000) 4.920 14.305 ( -0.586 -0.763 0.000) 0.962 14.426 ( 2.925 -5.290 0.000) 6.045 14.487 ( 2.705 -4.896 0.000) 5.593 15.460 ( -6.830 7.911 0.000) 10.452 15.762 ( -7.731 2.868 0.000) 8.246 15.795 ( -21.672 4.115 0.000) 22.059 15.962 ( -15.986 -3.750 0.000) 16.420 16.240 ( 2.127 7.814 0.000) 8.098 16.382 ( -2.919 3.397 0.000) 4.479 16.455 ( -4.231 2.029 0.000) 4.692 16.563 ( 2.782 -0.934 0.000) 2.935 17.996 ( 4.484 12.894 0.000) 13.651 18.196 ( 4.456 10.606 0.000) 11.504 18.309 ( -2.863 -2.241 0.000) 3.636 18.429 ( -2.796 -0.617 0.000) 2.863 20.814 ( 12.013 26.403 0.000) 29.007 21.007 ( 9.848 23.444 0.000) 25.428 21.699 ( -2.351 -12.560 0.000) 12.778 21.857 ( -4.253 -13.387 0.000) 14.046 23.289 ( 9.807 7.870 0.000) 12.574 23.414 ( 6.005 2.732 0.000) 6.597 23.540 ( 4.087 -0.284 0.000) 4.097 23.637 ( 3.222 -3.735 0.000) 4.933 28.220 ( 1.924 9.123 0.000) 9.323 28.300 ( -0.124 8.157 0.000) 8.158 28.383 ( -1.257 2.912 0.000) 3.172 28.453 ( 0.720 1.054 0.000) 1.276 29.282 ( 2.506 12.342 0.000) 12.594 29.361 ( -5.737 14.891 0.000) 15.957 29.595 ( -2.259 -1.620 0.000) 2.780 29.803 ( -4.369 3.478 0.000) 5.585 30.030 ( 3.811 -9.485 0.000) 10.222 30.046 ( 3.426 2.956 0.000) 4.525 30.458 ( 2.883 12.161 0.000) 12.498 30.470 ( 4.969 -7.302 0.000) 8.832 30.595 ( 3.049 -6.683 0.000) 7.345 30.868 ( 0.683 14.304 0.000) 14.320 31.065 ( -1.892 -13.222 0.000) 13.357 31.538 ( -9.354 -16.374 0.000) 18.858 33.895 ( 4.561 3.178 0.000) 5.559 34.053 ( -1.130 13.031 0.000) 13.080 34.131 ( -2.287 -7.598 0.000) 7.935 34.828 ( -10.609 -23.880 0.000) 26.130 ======================= Grid point 39 (24/60) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.807 ( -0.829 24.334 0.000) 24.348 3.029 ( 6.570 11.265 0.000) 13.041 3.331 ( 9.574 9.355 0.000) 13.386 3.459 ( 0.992 -7.596 0.000) 7.661 3.537 ( -3.408 -2.432 0.000) 4.187 3.549 ( -4.696 12.685 0.000) 13.526 3.714 ( 7.112 -8.517 0.000) 11.096 3.875 ( 4.131 -1.226 0.000) 4.309 4.028 ( -2.241 -3.197 0.000) 3.904 4.270 ( -7.023 -15.046 0.000) 16.605 4.641 ( -0.734 -0.002 0.000) 0.734 4.692 ( -12.992 19.143 0.000) 23.135 4.928 ( -4.066 0.625 0.000) 4.113 5.852 ( 27.761 16.518 0.000) 32.304 5.963 ( -20.864 -25.151 0.000) 32.679 6.296 ( 13.865 16.890 0.000) 21.852 6.706 ( 22.156 -3.404 0.000) 22.416 6.743 ( -4.724 -2.502 0.000) 5.346 6.807 ( 14.169 -5.849 0.000) 15.329 6.937 ( 11.992 0.626 0.000) 12.008 7.024 ( 14.483 23.750 0.000) 27.818 7.640 ( 9.317 3.076 0.000) 9.812 7.645 ( 17.462 1.781 0.000) 17.553 7.742 ( -17.168 6.853 0.000) 18.485 7.880 ( 8.835 10.473 0.000) 13.701 8.538 ( 3.514 6.776 0.000) 7.633 8.598 ( -3.540 -13.356 0.000) 13.817 8.651 ( 4.469 -5.199 0.000) 6.856 8.687 ( -3.723 0.822 0.000) 3.813 8.694 ( -6.655 5.472 0.000) 8.615 9.114 ( 14.887 4.248 0.000) 15.482 9.590 ( -1.748 -14.284 0.000) 14.390 9.753 ( 5.300 -10.509 0.000) 11.769 9.843 ( 2.836 3.495 0.000) 4.501 9.989 ( -6.095 -0.730 0.000) 6.139 10.027 ( 1.879 -7.373 0.000) 7.609 10.253 ( -5.199 -9.038 0.000) 10.427 10.254 ( -4.873 -10.895 0.000) 11.935 10.282 ( -8.233 -6.014 0.000) 10.196 10.407 ( -6.318 -6.668 0.000) 9.186 10.643 ( -4.378 -2.182 0.000) 4.892 10.697 ( -11.786 -9.653 0.000) 15.235 10.940 ( -8.482 -4.135 0.000) 9.437 11.051 ( -14.846 4.287 0.000) 15.453 11.195 ( -11.451 -1.198 0.000) 11.513 11.282 ( 5.009 -13.106 0.000) 14.031 11.559 ( -6.153 -2.459 0.000) 6.626 11.567 ( -4.579 -3.204 0.000) 5.589 12.036 ( -1.492 2.654 0.000) 3.045 12.080 ( -4.085 4.777 0.000) 6.285 12.100 ( -0.296 5.707 0.000) 5.715 12.318 ( -6.306 2.855 0.000) 6.923 12.392 ( 2.470 -2.951 0.000) 3.848 12.567 ( -0.422 -4.424 0.000) 4.444 12.724 ( -1.683 0.542 0.000) 1.768 12.937 ( -3.651 -1.544 0.000) 3.964 13.213 ( 7.643 3.712 0.000) 8.496 13.292 ( 5.439 -0.556 0.000) 5.468 13.387 ( 0.248 1.770 0.000) 1.787 13.592 ( -2.145 -3.432 0.000) 4.047 13.690 ( 3.516 4.213 0.000) 5.488 13.874 ( 6.905 0.097 0.000) 6.905 14.035 ( -1.945 -3.540 0.000) 4.039 14.047 ( 7.545 -6.846 0.000) 10.188 14.269 ( -2.876 1.860 0.000) 3.425 14.288 ( -0.149 3.303 0.000) 3.306 14.446 ( -1.348 -5.067 0.000) 5.244 14.516 ( -0.013 -5.467 0.000) 5.467 15.351 ( -3.136 0.643 0.000) 3.201 15.391 ( -15.979 3.376 0.000) 16.331 15.630 ( -16.791 -2.966 0.000) 17.051 15.632 ( -7.332 -0.925 0.000) 7.390 16.278 ( 2.699 8.788 0.000) 9.193 16.337 ( -1.366 4.588 0.000) 4.787 16.393 ( -1.946 6.648 0.000) 6.927 16.577 ( -1.604 0.885 0.000) 1.832 18.111 ( 6.424 9.195 0.000) 11.217 18.278 ( -0.544 1.478 0.000) 1.575 18.284 ( 4.165 8.040 0.000) 9.055 18.395 ( -0.828 2.886 0.000) 3.002 21.045 ( 11.395 19.131 0.000) 22.267 21.204 ( 9.926 16.514 0.000) 19.267 21.613 ( -6.406 -5.120 0.000) 8.201 21.730 ( -8.044 -4.989 0.000) 9.465 23.485 ( 9.325 2.757 0.000) 9.724 23.542 ( 6.404 0.190 0.000) 6.407 23.616 ( 3.322 -0.725 0.000) 3.400 23.695 ( 2.223 -3.369 0.000) 4.037 28.267 ( 2.842 8.761 0.000) 9.210 28.300 ( 0.222 8.548 0.000) 8.550 28.355 ( -1.541 5.667 0.000) 5.873 28.449 ( -1.327 2.264 0.000) 2.625 29.289 ( -1.008 15.751 0.000) 15.783 29.355 ( 4.715 10.033 0.000) 11.086 29.526 ( -4.801 3.356 0.000) 5.858 29.704 ( -5.626 3.302 0.000) 6.523 30.109 ( 3.907 -11.059 0.000) 11.729 30.122 ( 3.758 -2.681 0.000) 4.616 30.509 ( 2.105 9.861 0.000) 10.084 30.536 ( 1.847 -5.333 0.000) 5.644 30.676 ( 5.433 -8.909 0.000) 10.434 30.903 ( 3.024 9.129 0.000) 9.617 31.010 ( -3.726 -10.876 0.000) 11.497 31.340 ( -10.502 -11.920 0.000) 15.886 34.003 ( 6.183 -0.518 0.000) 6.204 34.034 ( -0.259 8.400 0.000) 8.404 34.084 ( -2.370 -4.432 0.000) 5.026 34.600 ( -12.249 -17.954 0.000) 21.734 ======================= Grid point 40 (25/60) ======================= q-point: ( 0.44 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.909 ( 10.832 17.467 0.000) 20.553 3.138 ( -2.967 8.775 0.000) 9.263 3.291 ( -5.706 7.287 0.000) 9.255 3.389 ( -6.737 7.047 0.000) 9.749 3.589 ( 14.597 12.734 0.000) 19.371 3.601 ( 9.104 -2.952 0.000) 9.571 3.763 ( -5.837 -7.739 0.000) 9.693 3.882 ( -10.031 11.189 0.000) 15.027 4.023 ( 2.395 -0.680 0.000) 2.490 4.135 ( -8.649 -6.309 0.000) 10.706 4.518 ( 5.529 3.267 0.000) 6.422 4.623 ( -2.281 -2.344 0.000) 3.270 5.051 ( 13.163 -16.419 0.000) 21.043 5.462 ( -26.519 -25.326 0.000) 36.670 6.438 ( 28.663 20.663 0.000) 35.334 6.543 ( 10.388 8.538 0.000) 13.446 6.694 ( -8.703 -4.051 0.000) 9.600 6.841 ( 13.596 4.729 0.000) 14.395 6.957 ( -15.673 22.265 0.000) 27.228 7.033 ( -1.286 -0.770 0.000) 1.498 7.443 ( 20.801 24.258 0.000) 31.955 7.629 ( 9.792 0.293 0.000) 9.796 7.715 ( -3.970 14.225 0.000) 14.769 7.863 ( -9.876 11.702 0.000) 15.312 8.032 ( 20.427 0.084 0.000) 20.427 8.394 ( -15.715 -11.786 0.000) 19.644 8.604 ( 3.706 -5.110 0.000) 6.312 8.605 ( -0.867 5.462 0.000) 5.530 8.622 ( -1.989 5.520 0.000) 5.868 8.679 ( -2.320 -8.836 0.000) 9.136 9.363 ( 9.762 -7.530 0.000) 12.329 9.506 ( -5.744 -15.494 0.000) 16.524 9.853 ( 5.036 -8.855 0.000) 10.187 9.908 ( -0.785 -2.611 0.000) 2.726 9.968 ( 7.215 -3.730 0.000) 8.123 10.056 ( -5.213 -11.033 0.000) 12.202 10.099 ( -6.701 -13.622 0.000) 15.181 10.136 ( -5.132 -3.045 0.000) 5.967 10.209 ( 3.583 -8.931 0.000) 9.623 10.332 ( -4.628 -6.565 0.000) 8.032 10.482 ( -4.195 -5.641 0.000) 7.030 10.550 ( -5.858 -10.509 0.000) 12.031 10.846 ( -2.329 0.796 0.000) 2.462 10.963 ( -10.873 -2.436 0.000) 11.142 11.059 ( 14.556 4.374 0.000) 15.199 11.348 ( -8.912 -0.941 0.000) 8.961 11.391 ( -0.210 -4.000 0.000) 4.006 11.473 ( -4.738 -3.175 0.000) 5.704 11.999 ( -0.881 0.774 0.000) 1.172 12.016 ( -2.344 1.637 0.000) 2.859 12.120 ( 2.167 5.368 0.000) 5.789 12.191 ( -5.350 5.006 0.000) 7.326 12.473 ( 4.339 -3.930 0.000) 5.854 12.541 ( -2.430 -4.532 0.000) 5.142 12.747 ( 3.692 1.823 0.000) 4.117 12.844 ( -5.505 0.535 0.000) 5.531 13.365 ( 4.542 -3.715 0.000) 5.868 13.374 ( 2.239 -1.366 0.000) 2.623 13.418 ( 4.862 3.356 0.000) 5.908 13.530 ( -4.386 -2.837 0.000) 5.223 13.778 ( 5.659 6.600 0.000) 8.694 13.918 ( -7.575 4.031 0.000) 8.581 14.021 ( 6.477 1.037 0.000) 6.559 14.121 ( -1.640 -2.765 0.000) 3.214 14.242 ( 0.904 0.146 0.000) 0.915 14.280 ( -1.126 0.434 0.000) 1.207 14.405 ( 0.385 -5.664 0.000) 5.677 14.476 ( -4.037 -6.776 0.000) 7.887 15.229 ( -0.380 2.784 0.000) 2.810 15.341 ( -8.489 -3.432 0.000) 9.157 15.364 ( 1.104 -0.247 0.000) 1.131 15.480 ( -7.630 -4.083 0.000) 8.653 16.332 ( 0.632 6.134 0.000) 6.166 16.346 ( 0.776 5.160 0.000) 5.218 16.386 ( 4.134 9.965 0.000) 10.789 16.503 ( -5.647 4.514 0.000) 7.229 18.218 ( 4.106 5.869 0.000) 7.163 18.267 ( -1.106 3.635 0.000) 3.800 18.350 ( 2.506 6.318 0.000) 6.797 18.382 ( -0.909 4.886 0.000) 4.970 21.259 ( 10.529 10.999 0.000) 15.226 21.390 ( 9.144 9.731 0.000) 13.353 21.455 ( -9.361 2.676 0.000) 9.736 21.564 ( -8.670 2.891 0.000) 9.139 23.624 ( 4.192 0.145 0.000) 4.194 23.651 ( 4.728 -1.450 0.000) 4.945 23.656 ( 0.463 -0.704 0.000) 0.843 23.710 ( -0.986 -2.544 0.000) 2.729 28.307 ( 0.773 8.650 0.000) 8.685 28.326 ( -1.257 7.661 0.000) 7.764 28.333 ( 3.481 7.360 0.000) 8.142 28.402 ( -3.240 5.050 0.000) 6.000 29.319 ( 3.788 12.715 0.000) 13.268 29.418 ( -5.781 8.387 0.000) 10.187 29.463 ( 6.113 7.490 0.000) 9.668 29.586 ( -6.287 4.883 0.000) 7.961 30.169 ( 1.902 -10.771 0.000) 10.938 30.175 ( 1.331 -7.698 0.000) 7.812 30.539 ( 1.059 4.515 0.000) 4.637 30.551 ( -0.056 -1.039 0.000) 1.040 30.799 ( 6.637 -9.795 0.000) 11.832 30.920 ( -5.457 -9.511 0.000) 10.965 30.991 ( 6.053 2.761 0.000) 6.653 31.142 ( -9.281 -5.465 0.000) 10.770 34.026 ( 0.313 4.066 0.000) 4.078 34.044 ( -1.572 -0.428 0.000) 1.629 34.161 ( 9.173 -5.874 0.000) 10.893 34.365 ( -11.429 -11.723 0.000) 16.372 ======================= Grid point 45 (26/60) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.970 ( 0.000 -9.850 0.000) 9.850 2.970 ( 0.000 9.850 0.000) 9.850 3.515 ( 0.000 -4.526 0.000) 4.526 3.515 ( 0.000 4.526 0.000) 4.526 3.638 ( 0.000 -17.874 0.000) 17.874 3.638 ( 0.000 17.874 0.000) 17.874 3.867 ( 0.000 -4.639 0.000) 4.639 3.867 ( 0.000 4.639 0.000) 4.639 4.109 ( 0.000 -5.562 0.000) 5.562 4.109 ( 0.000 5.562 0.000) 5.562 4.645 ( 0.000 -15.733 0.000) 15.733 4.645 ( 0.000 15.733 0.000) 15.733 5.203 ( 0.000 -17.853 0.000) 17.853 5.203 ( 0.000 17.853 0.000) 17.853 5.433 ( 0.000 -22.036 0.000) 22.036 5.433 ( 0.000 22.036 0.000) 22.036 6.365 ( 0.000 -17.854 0.000) 17.854 6.365 ( 0.000 17.854 0.000) 17.854 6.643 ( 0.000 -11.685 0.000) 11.685 6.643 ( 0.000 11.685 0.000) 11.685 7.252 ( 0.000 -3.922 0.000) 3.922 7.252 ( 0.000 3.922 0.000) 3.922 7.529 ( 0.000 -3.364 0.000) 3.364 7.529 ( 0.000 3.364 0.000) 3.364 8.014 ( 0.000 -23.213 0.000) 23.213 8.014 ( 0.000 23.213 0.000) 23.213 8.374 ( 0.000 -6.732 0.000) 6.732 8.374 ( 0.000 6.732 0.000) 6.732 8.575 ( 0.000 -14.566 0.000) 14.566 8.575 ( 0.000 14.566 0.000) 14.566 9.129 ( 0.000 -21.911 0.000) 21.911 9.129 ( 0.000 21.911 0.000) 21.911 9.921 ( 0.000 -2.043 0.000) 2.043 9.921 ( 0.000 2.043 0.000) 2.043 10.171 ( 0.000 -10.689 0.000) 10.689 10.171 ( 0.000 10.689 0.000) 10.689 10.417 ( 0.000 -30.198 0.000) 30.198 10.417 ( 0.000 30.198 0.000) 30.198 10.771 ( 0.000 -1.923 0.000) 1.923 10.771 ( 0.000 1.923 0.000) 1.923 10.885 ( 0.000 -0.329 0.000) 0.329 10.885 ( 0.000 0.329 0.000) 0.329 11.169 ( 0.000 -4.834 0.000) 4.834 11.169 ( 0.000 4.834 0.000) 4.834 11.601 ( 0.000 -0.602 0.000) 0.602 11.601 ( 0.000 0.602 0.000) 0.602 11.762 ( 0.000 -3.305 0.000) 3.305 11.762 ( 0.000 3.305 0.000) 3.305 12.216 ( 0.000 -18.562 0.000) 18.562 12.216 ( 0.000 18.562 0.000) 18.562 12.461 ( 0.000 -0.053 0.000) 0.053 12.461 ( 0.000 0.053 0.000) 0.053 12.560 ( 0.000 -2.691 0.000) 2.691 12.560 ( 0.000 2.691 0.000) 2.691 12.706 ( 0.000 -5.249 0.000) 5.249 12.706 ( 0.000 5.249 0.000) 5.249 13.087 ( 0.000 -0.326 0.000) 0.326 13.087 ( 0.000 0.326 0.000) 0.326 13.539 ( 0.000 -4.484 0.000) 4.484 13.539 ( 0.000 4.484 0.000) 4.484 13.644 ( 0.000 -1.931 0.000) 1.931 13.644 ( 0.000 1.931 0.000) 1.931 13.679 ( 0.000 -14.550 0.000) 14.550 13.679 ( 0.000 14.550 0.000) 14.550 14.246 ( 0.000 -5.915 0.000) 5.915 14.246 ( 0.000 5.915 0.000) 5.915 14.282 ( 0.000 -0.382 0.000) 0.382 14.282 ( 0.000 0.382 0.000) 0.382 15.921 ( 0.000 -12.124 0.000) 12.124 15.921 ( 0.000 12.124 0.000) 12.124 16.308 ( 0.000 -8.722 0.000) 8.722 16.308 ( 0.000 8.722 0.000) 8.722 16.396 ( 0.000 -3.311 0.000) 3.311 16.396 ( 0.000 3.311 0.000) 3.311 16.461 ( 0.000 -2.229 0.000) 2.229 16.461 ( 0.000 2.229 0.000) 2.229 18.219 ( 0.000 -10.987 0.000) 10.987 18.219 ( 0.000 10.987 0.000) 10.987 18.363 ( 0.000 -9.970 0.000) 9.970 18.363 ( 0.000 9.970 0.000) 9.970 21.171 ( 0.000 -29.094 0.000) 29.094 21.171 ( 0.000 29.094 0.000) 29.094 21.382 ( 0.000 -26.798 0.000) 26.798 21.382 ( 0.000 26.798 0.000) 26.798 23.374 ( 0.000 -10.615 0.000) 10.615 23.374 ( 0.000 10.615 0.000) 10.615 23.418 ( 0.000 -5.771 0.000) 5.771 23.418 ( 0.000 5.771 0.000) 5.771 28.339 ( 0.000 -5.582 0.000) 5.582 28.339 ( 0.000 5.582 0.000) 5.582 28.411 ( 0.000 -2.833 0.000) 2.833 28.411 ( 0.000 2.833 0.000) 2.833 29.479 ( 0.000 -8.824 0.000) 8.824 29.479 ( 0.000 8.824 0.000) 8.824 29.738 ( 0.000 -10.053 0.000) 10.053 29.738 ( 0.000 10.053 0.000) 10.053 30.048 ( 0.000 -7.934 0.000) 7.934 30.048 ( 0.000 7.934 0.000) 7.934 30.323 ( 0.000 -11.162 0.000) 11.162 30.323 ( 0.000 11.162 0.000) 11.162 30.746 ( 0.000 -16.993 0.000) 16.993 30.746 ( 0.000 16.993 0.000) 16.993 31.306 ( 0.000 -21.290 0.000) 21.290 31.306 ( 0.000 21.290 0.000) 21.290 33.975 ( 0.000 -9.277 0.000) 9.277 33.975 ( 0.000 9.277 0.000) 9.277 34.502 ( 0.000 -23.455 0.000) 23.455 34.502 ( 0.000 23.455 0.000) 23.455 ======================= Grid point 47 (27/60) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.032 ( 6.278 -7.131 0.000) 9.501 3.032 ( 6.278 7.131 0.000) 9.501 3.310 ( -11.089 -3.102 0.000) 11.515 3.310 ( -11.089 3.102 0.000) 11.515 3.742 ( -8.133 -1.579 0.000) 8.284 3.742 ( -8.133 1.579 0.000) 8.284 3.802 ( 6.667 -7.365 0.000) 9.935 3.802 ( 6.667 7.365 0.000) 9.935 4.153 ( -1.150 -7.874 0.000) 7.958 4.153 ( -1.150 7.874 0.000) 7.958 4.638 ( 1.823 -9.530 0.000) 9.703 4.638 ( 1.823 9.530 0.000) 9.703 5.292 ( 11.533 -0.228 0.000) 11.535 5.292 ( 11.533 0.228 0.000) 11.535 5.643 ( 16.912 -8.666 0.000) 19.003 5.643 ( 16.912 8.666 0.000) 19.003 6.337 ( -7.068 -0.002 0.000) 7.068 6.337 ( -7.068 0.002 0.000) 7.068 6.716 ( 10.164 -15.878 0.000) 18.852 6.716 ( 10.164 15.878 0.000) 18.852 7.172 ( -4.123 -1.182 0.000) 4.289 7.172 ( -4.123 1.182 0.000) 4.289 7.434 ( -6.262 -3.314 0.000) 7.085 7.434 ( -6.262 3.314 0.000) 7.085 8.183 ( 11.337 -2.820 0.000) 11.683 8.183 ( 11.337 2.820 0.000) 11.683 8.450 ( 6.915 -3.748 0.000) 7.865 8.450 ( 6.915 3.748 0.000) 7.865 8.621 ( 4.547 -8.125 0.000) 9.310 8.621 ( 4.547 8.125 0.000) 9.310 9.141 ( 1.443 -21.791 0.000) 21.838 9.141 ( 1.443 21.791 0.000) 21.838 9.893 ( -2.629 -0.006 0.000) 2.629 9.893 ( -2.629 0.006 0.000) 2.629 10.096 ( -7.048 -8.671 0.000) 11.174 10.096 ( -7.048 8.671 0.000) 11.174 10.415 ( -1.069 -21.566 0.000) 21.593 10.415 ( -1.069 21.566 0.000) 21.593 10.722 ( -11.661 -4.040 0.000) 12.341 10.722 ( -11.661 4.040 0.000) 12.341 10.752 ( -1.643 -2.801 0.000) 3.248 10.752 ( -1.643 2.801 0.000) 3.248 11.212 ( -1.111 -2.010 0.000) 2.297 11.212 ( -1.111 2.010 0.000) 2.297 11.560 ( -4.266 -1.827 0.000) 4.641 11.560 ( -4.266 1.827 0.000) 4.641 11.699 ( -5.481 -2.492 0.000) 6.021 11.699 ( -5.481 2.492 0.000) 6.021 12.211 ( -3.204 -12.749 0.000) 13.146 12.211 ( -3.204 12.750 0.000) 13.146 12.316 ( -5.757 -10.009 0.000) 11.547 12.316 ( -5.757 10.009 0.000) 11.547 12.510 ( -1.927 -4.128 0.000) 4.556 12.510 ( -1.927 4.128 0.000) 4.556 12.878 ( 6.845 -0.007 0.000) 6.845 12.878 ( 6.845 0.007 0.000) 6.845 13.057 ( -0.418 -1.037 0.000) 1.118 13.057 ( -0.418 1.037 0.000) 1.118 13.554 ( -0.217 -0.050 0.000) 0.223 13.554 ( -0.217 0.050 0.000) 0.223 13.632 ( 1.927 -0.489 0.000) 1.988 13.632 ( 1.927 0.489 0.000) 1.988 13.743 ( 4.656 -5.146 0.000) 6.939 13.743 ( 4.656 5.146 0.000) 6.939 14.287 ( 3.631 -5.416 0.000) 6.520 14.287 ( 3.631 5.416 0.000) 6.520 14.294 ( 1.263 -0.999 0.000) 1.611 14.294 ( 1.263 0.999 0.000) 1.611 15.851 ( -6.986 -9.501 0.000) 11.793 15.851 ( -6.986 9.501 0.000) 11.793 16.193 ( -12.154 -0.207 0.000) 12.156 16.193 ( -12.154 0.207 0.000) 12.156 16.385 ( 0.923 -6.583 0.000) 6.648 16.385 ( 0.923 6.583 0.000) 6.648 16.483 ( 0.777 -1.054 0.000) 1.309 16.483 ( 0.777 1.054 0.000) 1.309 18.206 ( -0.876 -10.022 0.000) 10.060 18.206 ( -0.876 10.022 0.000) 10.060 18.356 ( -0.268 -8.669 0.000) 8.674 18.356 ( -0.268 8.669 0.000) 8.674 21.225 ( 4.949 -27.240 0.000) 27.686 21.225 ( 4.949 27.240 0.000) 27.686 21.419 ( 3.328 -25.648 0.000) 25.863 21.419 ( 3.328 25.648 0.000) 25.863 23.403 ( 2.886 -9.971 0.000) 10.380 23.403 ( 2.886 9.971 0.000) 10.380 23.436 ( 1.921 -5.938 0.000) 6.241 23.436 ( 1.921 5.938 0.000) 6.241 28.346 ( 0.721 -5.242 0.000) 5.291 28.346 ( 0.721 5.242 0.000) 5.291 28.415 ( 0.382 -2.896 0.000) 2.921 28.415 ( 0.382 2.896 0.000) 2.921 29.482 ( 0.375 -8.753 0.000) 8.761 29.482 ( 0.375 8.753 0.000) 8.761 29.715 ( -2.293 -9.357 0.000) 9.634 29.715 ( -2.293 9.357 0.000) 9.634 30.035 ( -0.831 -2.498 0.000) 2.632 30.035 ( -0.831 2.498 0.000) 2.632 30.362 ( 3.528 -5.107 0.000) 6.207 30.362 ( 3.528 5.107 0.000) 6.207 30.756 ( 0.878 -14.568 0.000) 14.594 30.756 ( 0.878 14.568 0.000) 14.594 31.273 ( -3.188 -19.651 0.000) 19.908 31.273 ( -3.188 19.651 0.000) 19.908 33.978 ( 0.334 -8.296 0.000) 8.303 33.978 ( 0.334 8.296 0.000) 8.303 34.470 ( -3.204 -22.160 0.000) 22.390 34.470 ( -3.204 22.160 0.000) 22.390 ======================= Grid point 49 (28/60) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.157 ( -1.647 -0.339 0.000) 1.681 3.157 ( -1.647 0.339 0.000) 1.681 3.222 ( 10.677 -0.984 0.000) 10.722 3.222 ( 10.677 0.984 0.000) 10.722 3.572 ( -8.626 -6.392 0.000) 10.736 3.572 ( -8.626 6.392 0.000) 10.736 3.871 ( -0.029 -0.439 0.000) 0.440 3.871 ( -0.029 0.439 0.000) 0.440 4.060 ( -5.414 -12.176 0.000) 13.326 4.060 ( -5.414 12.176 0.000) 13.326 4.691 ( 1.788 -0.154 0.000) 1.794 4.691 ( 1.788 0.154 0.000) 1.794 5.673 ( 23.494 -9.025 0.000) 25.168 5.673 ( 23.494 9.025 0.000) 25.168 5.823 ( -8.303 -13.603 0.000) 15.937 5.823 ( -8.303 13.603 0.000) 15.937 6.253 ( 12.568 -3.477 0.000) 13.040 6.253 ( 12.568 3.477 0.000) 13.040 6.917 ( -1.691 -1.234 0.000) 2.093 6.917 ( -1.691 1.234 0.000) 2.093 7.167 ( 11.061 -10.463 0.000) 15.226 7.167 ( 11.061 10.463 0.000) 15.225 7.479 ( 13.046 -2.193 0.000) 13.229 7.479 ( 13.046 2.193 0.000) 13.229 8.294 ( -0.873 -12.483 0.000) 12.514 8.294 ( -0.873 12.483 0.000) 12.514 8.600 ( 6.505 -1.440 0.000) 6.662 8.600 ( 6.505 1.440 0.000) 6.662 8.727 ( 4.983 -3.459 0.000) 6.066 8.727 ( 4.983 3.460 0.000) 6.066 9.198 ( 4.267 -19.798 0.000) 20.253 9.198 ( 4.267 19.798 0.000) 20.253 9.831 ( -3.964 -2.102 0.000) 4.487 9.831 ( -3.965 2.102 0.000) 4.487 9.941 ( -6.619 -3.874 0.000) 7.670 9.941 ( -6.619 3.874 0.000) 7.670 10.344 ( -6.507 -3.070 0.000) 7.195 10.344 ( -6.507 3.070 0.000) 7.195 10.481 ( -11.460 -2.612 0.000) 11.754 10.481 ( -11.460 2.612 0.000) 11.754 10.765 ( 1.888 -8.783 0.000) 8.983 10.765 ( 1.888 8.783 0.000) 8.983 11.045 ( -13.466 -2.941 0.000) 13.783 11.045 ( -13.466 2.941 0.000) 13.783 11.405 ( -11.299 -0.873 0.000) 11.332 11.405 ( -11.299 0.873 0.000) 11.332 11.610 ( -3.634 -0.190 0.000) 3.639 11.610 ( -3.634 0.190 0.000) 3.639 12.124 ( -2.574 -1.773 0.000) 3.125 12.124 ( -2.574 1.773 0.000) 3.125 12.286 ( -1.390 -9.955 0.000) 10.052 12.286 ( -1.390 9.955 0.000) 10.052 12.481 ( -0.956 -5.230 0.000) 5.317 12.481 ( -0.956 5.230 0.000) 5.317 12.864 ( -3.928 -4.396 0.000) 5.895 12.864 ( -3.928 4.396 0.000) 5.895 13.150 ( 6.707 -1.331 0.000) 6.838 13.150 ( 6.707 1.331 0.000) 6.838 13.522 ( -2.188 -3.064 0.000) 3.765 13.522 ( -2.188 3.064 0.000) 3.765 13.726 ( 6.627 -0.831 0.000) 6.679 13.726 ( 6.627 0.831 0.000) 6.679 13.843 ( 5.287 -1.559 0.000) 5.512 13.843 ( 5.287 1.559 0.000) 5.512 14.319 ( 1.070 -0.583 0.000) 1.218 14.319 ( 1.070 0.583 0.000) 1.218 14.366 ( 3.547 -3.030 0.000) 4.665 14.366 ( 3.547 3.030 0.000) 4.665 15.656 ( -12.648 -5.054 0.000) 13.621 15.656 ( -12.648 5.054 0.000) 13.621 15.898 ( -16.171 -0.664 0.000) 16.185 15.898 ( -16.171 0.664 0.000) 16.185 16.391 ( -0.788 -1.875 0.000) 2.034 16.391 ( -0.788 1.875 0.000) 2.034 16.503 ( 1.617 -1.762 0.000) 2.392 16.503 ( 1.617 1.762 0.000) 2.392 18.206 ( 1.240 -7.449 0.000) 7.552 18.206 ( 1.240 7.449 0.000) 7.552 18.365 ( 1.182 -5.541 0.000) 5.666 18.365 ( 1.182 5.541 0.000) 5.666 21.331 ( 5.117 -22.061 0.000) 22.647 21.331 ( 5.117 22.061 0.000) 22.647 21.487 ( 3.138 -21.317 0.000) 21.546 21.487 ( 3.138 21.317 0.000) 21.546 23.481 ( 4.811 -7.310 0.000) 8.751 23.481 ( 4.811 7.310 0.000) 8.751 23.495 ( 3.945 -6.123 0.000) 7.284 23.495 ( 3.945 6.123 0.000) 7.284 28.365 ( 1.156 -4.135 0.000) 4.294 28.365 ( 1.156 4.135 0.000) 4.294 28.424 ( 0.455 -3.285 0.000) 3.316 28.424 ( 0.455 3.285 0.000) 3.316 29.494 ( 0.774 -7.763 0.000) 7.801 29.494 ( 0.774 7.763 0.000) 7.801 29.657 ( -3.364 -11.388 0.000) 11.874 29.657 ( -3.364 11.388 0.000) 11.874 30.029 ( 0.296 -1.326 0.000) 1.358 30.029 ( 0.296 1.326 0.000) 1.358 30.443 ( 4.454 -1.217 0.000) 4.618 30.443 ( 4.454 1.217 0.000) 4.618 30.770 ( 0.265 -11.120 0.000) 11.123 30.770 ( 0.265 11.120 0.000) 11.123 31.193 ( -4.659 -15.263 0.000) 15.958 31.193 ( -4.659 15.263 0.000) 15.958 33.989 ( 0.856 -5.637 0.000) 5.702 33.989 ( 0.856 5.637 0.000) 5.702 34.383 ( -5.425 -18.622 0.000) 19.396 34.383 ( -5.425 18.622 0.000) 19.396 ======================= Grid point 51 (29/60) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.173 ( 2.963 -0.112 0.000) 2.965 3.173 ( 2.963 0.112 0.000) 2.965 3.418 ( -4.498 -3.650 0.000) 5.793 3.418 ( -4.498 3.650 0.000) 5.793 3.503 ( 14.312 -8.442 0.000) 16.616 3.503 ( 14.312 8.442 0.000) 16.616 3.806 ( -4.902 -3.568 0.000) 6.063 3.806 ( -4.902 3.568 0.000) 6.063 4.008 ( -0.267 -1.953 0.000) 1.971 4.008 ( -0.267 1.953 0.000) 1.971 4.699 ( -0.424 -1.865 0.000) 1.912 4.699 ( -0.424 1.865 0.000) 1.912 5.371 ( -25.912 -19.598 0.000) 32.489 5.371 ( -25.912 19.598 0.000) 32.489 6.287 ( 31.972 -16.913 0.000) 36.170 6.287 ( 31.972 16.913 0.000) 36.170 6.639 ( 13.718 -6.709 0.000) 15.271 6.639 ( 13.718 6.709 0.000) 15.271 6.775 ( -0.074 -4.163 0.000) 4.164 6.775 ( -0.074 4.163 0.000) 4.164 7.490 ( 16.500 -15.032 0.000) 22.321 7.490 ( 16.500 15.032 0.000) 22.321 7.827 ( 15.944 -6.846 0.000) 17.351 7.827 ( 15.944 6.846 0.000) 17.351 8.184 ( -6.872 -24.123 0.000) 25.082 8.184 ( -6.872 24.123 0.000) 25.082 8.664 ( 0.308 -0.081 0.000) 0.318 8.664 ( 0.308 0.081 0.000) 0.318 8.769 ( -1.417 -1.464 0.000) 2.037 8.769 ( -1.417 1.464 0.000) 2.037 9.261 ( 0.510 -8.235 0.000) 8.251 9.261 ( 0.510 8.235 0.000) 8.251 9.733 ( -3.758 -5.048 0.000) 6.294 9.733 ( -3.758 5.048 0.000) 6.294 9.911 ( 2.387 -2.279 0.000) 3.300 9.911 ( 2.387 2.279 0.000) 3.300 10.173 ( -9.139 -0.242 0.000) 9.142 10.173 ( -9.139 0.242 0.000) 9.142 10.312 ( -6.217 -3.501 0.000) 7.135 10.312 ( -6.217 3.501 0.000) 7.135 10.624 ( -14.805 -0.020 0.000) 14.805 10.624 ( -14.805 0.020 0.000) 14.805 10.974 ( 5.751 -7.928 0.000) 9.794 10.974 ( 5.751 7.928 0.000) 9.794 11.163 ( -11.403 -0.708 0.000) 11.424 11.163 ( -11.402 0.708 0.000) 11.424 11.528 ( -4.931 -0.001 0.000) 4.931 11.528 ( -4.931 0.001 0.000) 4.931 12.086 ( -2.885 -0.900 0.000) 3.023 12.086 ( -2.885 0.900 0.000) 3.023 12.252 ( -0.758 -2.616 0.000) 2.723 12.252 ( -0.758 2.616 0.000) 2.723 12.451 ( -2.366 -2.458 0.000) 3.412 12.451 ( -2.366 2.458 0.000) 3.412 12.819 ( -0.454 -5.148 0.000) 5.168 12.819 ( -0.454 5.148 0.000) 5.168 13.266 ( 5.035 -1.808 0.000) 5.350 13.266 ( 5.035 1.808 0.000) 5.350 13.481 ( -1.737 -3.113 0.000) 3.565 13.481 ( -1.737 3.113 0.000) 3.565 13.858 ( 5.800 -3.252 0.000) 6.649 13.858 ( 5.800 3.252 0.000) 6.649 13.949 ( 5.799 -0.145 0.000) 5.801 13.949 ( 5.799 0.145 0.000) 5.801 14.314 ( -1.942 -2.061 0.000) 2.832 14.314 ( -1.942 2.061 0.000) 2.832 14.402 ( -0.350 -2.387 0.000) 2.412 14.402 ( -0.350 2.387 0.000) 2.412 15.400 ( -11.301 -0.374 0.000) 11.307 15.400 ( -11.301 0.374 0.000) 11.307 15.611 ( -12.697 -0.020 0.000) 12.697 15.611 ( -12.697 0.020 0.000) 12.697 16.379 ( 0.233 -0.145 0.000) 0.274 16.379 ( 0.233 0.145 0.000) 0.274 16.529 ( 0.558 -4.366 0.000) 4.402 16.529 ( 0.558 4.366 0.000) 4.402 18.249 ( 2.672 -4.074 0.000) 4.872 18.249 ( 2.672 4.074 0.000) 4.872 18.396 ( 1.775 -2.701 0.000) 3.232 18.396 ( 1.775 2.701 0.000) 3.232 21.407 ( 2.563 -14.386 0.000) 14.613 21.407 ( 2.563 14.386 0.000) 14.613 21.533 ( 1.566 -13.598 0.000) 13.688 21.533 ( 1.566 13.598 0.000) 13.688 23.572 ( 4.121 -2.446 0.000) 4.792 23.572 ( 4.121 2.446 0.000) 4.792 23.583 ( 4.575 -6.074 0.000) 7.605 23.583 ( 4.575 6.074 0.000) 7.605 28.389 ( 1.216 -2.144 0.000) 2.465 28.389 ( 1.216 2.144 0.000) 2.465 28.430 ( 0.127 -3.462 0.000) 3.464 28.430 ( 0.127 3.462 0.000) 3.464 29.511 ( 0.873 -4.462 0.000) 4.546 29.511 ( 0.873 4.462 0.000) 4.546 29.595 ( -2.666 -11.639 0.000) 11.941 29.595 ( -2.666 11.639 0.000) 11.941 30.043 ( 0.897 -1.355 0.000) 1.625 30.043 ( 0.897 1.355 0.000) 1.625 30.531 ( 4.391 -1.095 0.000) 4.526 30.531 ( 4.391 1.095 0.000) 4.526 30.757 ( -1.737 -8.510 0.000) 8.685 30.757 ( -1.737 8.510 0.000) 8.685 31.108 ( -3.617 -9.147 0.000) 9.836 31.108 ( -3.617 9.147 0.000) 9.836 34.015 ( 1.877 -1.751 0.000) 2.567 34.015 ( 1.877 1.751 0.000) 2.567 34.268 ( -6.055 -13.648 0.000) 14.930 34.268 ( -6.055 13.648 0.000) 14.930 ======================= Grid point 53 (30/60) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.200 ( -0.534 -3.563 0.000) 3.603 3.200 ( -0.534 3.563 0.000) 3.603 3.416 ( 4.496 -2.778 0.000) 5.285 3.416 ( 4.496 2.778 0.000) 5.285 3.598 ( -5.368 -5.598 0.000) 7.756 3.598 ( -5.368 5.598 0.000) 7.756 3.893 ( 11.620 -7.129 0.000) 13.632 3.893 ( 11.620 7.129 0.000) 13.632 4.015 ( 0.449 -0.472 0.000) 0.651 4.015 ( 0.449 0.472 0.000) 0.651 4.699 ( 1.254 -3.664 0.000) 3.873 4.699 ( 1.254 3.664 0.000) 3.873 4.904 ( -18.516 -14.548 0.000) 23.548 4.904 ( -18.516 14.548 0.000) 23.548 6.583 ( -3.680 -1.246 0.000) 3.885 6.583 ( -3.680 1.246 0.000) 3.885 6.860 ( 22.772 -12.748 0.000) 26.097 6.860 ( 22.772 12.748 0.000) 26.097 7.064 ( 11.261 -7.497 0.000) 13.528 7.064 ( 11.261 7.497 0.000) 13.528 7.646 ( -6.947 -7.554 0.000) 10.263 7.646 ( -6.947 7.554 0.000) 10.263 7.878 ( 2.760 -11.142 0.000) 11.479 7.878 ( 2.760 11.142 0.000) 11.479 8.270 ( 7.361 -9.095 0.000) 11.701 8.270 ( 7.361 9.095 0.000) 11.701 8.642 ( -0.892 -1.328 0.000) 1.600 8.642 ( -0.892 1.328 0.000) 1.599 8.689 ( -4.947 -0.312 0.000) 4.957 8.689 ( -4.947 0.312 0.000) 4.957 9.223 ( -2.331 -0.701 0.000) 2.434 9.223 ( -2.331 0.701 0.000) 2.434 9.718 ( 0.959 -1.950 0.000) 2.173 9.718 ( 0.959 1.950 0.000) 2.173 9.960 ( 1.182 -1.244 0.000) 1.716 9.960 ( 1.182 1.244 0.000) 1.716 10.041 ( -3.804 -0.789 0.000) 3.885 10.041 ( -3.804 0.789 0.000) 3.885 10.229 ( -2.129 -3.410 0.000) 4.020 10.229 ( -2.129 3.410 0.000) 4.020 10.417 ( -4.487 -0.041 0.000) 4.487 10.417 ( -4.487 0.041 0.000) 4.487 10.891 ( -7.761 -1.618 0.000) 7.927 10.891 ( -7.761 1.618 0.000) 7.927 11.212 ( 10.074 -6.483 0.000) 11.980 11.212 ( 10.074 6.483 0.000) 11.980 11.409 ( -7.407 -0.724 0.000) 7.442 11.409 ( -7.407 0.724 0.000) 7.442 12.016 ( -2.769 -0.250 0.000) 2.780 12.016 ( -2.769 0.250 0.000) 2.780 12.260 ( 0.667 -1.576 0.000) 1.711 12.260 ( 0.667 1.576 0.000) 1.711 12.410 ( -1.192 -1.726 0.000) 2.098 12.410 ( -1.192 1.726 0.000) 2.098 12.823 ( 0.271 -2.402 0.000) 2.417 12.823 ( 0.271 2.402 0.000) 2.417 13.334 ( 1.502 -1.019 0.000) 1.814 13.334 ( 1.502 1.019 0.000) 1.814 13.468 ( 0.324 -0.991 0.000) 1.043 13.468 ( 0.324 0.991 0.000) 1.043 13.932 ( 1.874 -2.311 0.000) 2.976 13.932 ( 1.874 2.311 0.000) 2.976 14.061 ( 4.328 -0.969 0.000) 4.435 14.061 ( 4.328 0.969 0.000) 4.435 14.254 ( -3.031 -2.163 0.000) 3.724 14.254 ( -3.031 2.163 0.000) 3.724 14.364 ( -2.287 -1.569 0.000) 2.773 14.364 ( -2.287 1.569 0.000) 2.773 15.276 ( -1.441 -0.802 0.000) 1.649 15.276 ( -1.441 0.802 0.000) 1.649 15.412 ( -6.835 -1.026 0.000) 6.911 15.412 ( -6.835 1.026 0.000) 6.911 16.400 ( 1.294 -0.021 0.000) 1.294 16.400 ( 1.294 0.021 0.000) 1.294 16.523 ( -0.739 -2.566 0.000) 2.670 16.523 ( -0.739 2.566 0.000) 2.670 18.291 ( 1.281 -1.200 0.000) 1.755 18.291 ( 1.281 1.200 0.000) 1.755 18.424 ( 0.821 -0.783 0.000) 1.135 18.424 ( 0.821 0.783 0.000) 1.135 21.436 ( 0.598 -4.997 0.000) 5.033 21.436 ( 0.598 4.997 0.000) 5.033 21.552 ( 0.438 -4.565 0.000) 4.586 21.552 ( 0.438 4.565 0.000) 4.586 23.632 ( 1.690 -0.804 0.000) 1.871 23.632 ( 1.690 0.804 0.000) 1.871 23.650 ( 1.921 -2.023 0.000) 2.789 23.650 ( 1.921 2.023 0.000) 2.789 28.410 ( 0.867 -0.020 0.000) 0.867 28.410 ( 0.867 0.020 0.000) 0.867 28.428 ( -0.355 -2.324 0.000) 2.351 28.428 ( -0.355 2.324 0.000) 2.351 29.525 ( 0.532 -0.011 0.000) 0.532 29.525 ( 0.532 0.011 0.000) 0.532 29.557 ( -1.121 -6.215 0.000) 6.316 29.557 ( -1.121 6.215 0.000) 6.316 30.058 ( 0.464 -0.644 0.000) 0.794 30.058 ( 0.464 0.644 0.000) 0.794 30.612 ( 3.715 -2.159 0.000) 4.297 30.612 ( 3.715 2.159 0.000) 4.297 30.706 ( -3.102 -5.139 0.000) 6.002 30.706 ( -3.102 5.139 0.000) 6.002 31.060 ( -1.194 -2.882 0.000) 3.119 31.060 ( -1.194 2.882 0.000) 3.119 34.066 ( 3.308 -2.491 0.000) 4.141 34.066 ( 3.308 2.491 0.000) 4.141 34.157 ( -4.996 -7.909 0.000) 9.355 34.157 ( -4.996 7.909 0.000) 9.355 ======================= Grid point 99 (31/60) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 0.000 0.000 36.819) 36.819 0.940 ( 0.000 0.000 40.833) 40.833 1.625 ( 0.000 0.000 -28.562) 28.562 1.746 ( 0.000 0.000 14.557) 14.557 1.983 ( 0.000 0.000 26.156) 26.156 2.503 ( 0.000 0.000 14.114) 14.114 2.826 ( 0.000 0.000 -10.461) 10.461 3.252 ( 0.000 0.000 17.766) 17.766 3.387 ( 0.000 0.000 -19.416) 19.416 3.551 ( 0.000 0.000 -39.124) 39.124 4.102 ( 0.000 0.000 16.497) 16.497 4.463 ( 0.000 0.000 -12.967) 12.967 4.631 ( 0.000 0.000 -3.070) 3.070 4.661 ( 0.000 0.000 -6.733) 6.733 5.562 ( 0.000 0.000 8.261) 8.261 5.738 ( 0.000 0.000 -5.008) 5.008 6.352 ( 0.000 0.000 6.545) 6.545 6.529 ( 0.000 0.000 -9.491) 9.491 7.152 ( 0.000 0.000 10.774) 10.774 7.276 ( 0.000 0.000 1.817) 1.817 7.358 ( 0.000 0.000 -5.968) 5.968 7.527 ( 0.000 0.000 -16.504) 16.504 7.958 ( 0.000 0.000 19.601) 19.601 8.361 ( 0.000 0.000 -13.748) 13.748 8.501 ( 0.000 0.000 11.387) 11.387 8.679 ( 0.000 0.000 -5.467) 5.467 8.902 ( 0.000 0.000 31.388) 31.388 9.106 ( 0.000 0.000 12.705) 12.705 9.339 ( 0.000 0.000 2.221) 2.221 9.592 ( 0.000 0.000 -24.963) 24.963 9.835 ( 0.000 0.000 -11.434) 11.434 9.990 ( 0.000 0.000 -16.352) 16.352 10.238 ( 0.000 0.000 7.293) 7.293 10.263 ( 0.000 0.000 16.005) 16.005 10.439 ( 0.000 0.000 -11.195) 11.195 10.594 ( 0.000 0.000 -9.317) 9.317 10.601 ( 0.000 0.000 2.966) 2.966 10.728 ( 0.000 0.000 -5.336) 5.336 10.785 ( 0.000 0.000 12.393) 12.393 10.949 ( 0.000 0.000 -2.113) 2.113 10.953 ( 0.000 0.000 4.882) 4.882 10.979 ( 0.000 0.000 2.298) 2.298 11.228 ( 0.000 0.000 0.593) 0.593 11.249 ( 0.000 0.000 -1.169) 1.169 11.349 ( 0.000 0.000 7.719) 7.719 11.527 ( 0.000 0.000 -5.206) 5.206 11.721 ( 0.000 0.000 -4.356) 4.356 11.783 ( 0.000 0.000 -5.982) 5.982 12.052 ( 0.000 0.000 13.935) 13.935 12.156 ( 0.000 0.000 3.639) 3.639 12.221 ( 0.000 0.000 -2.012) 2.012 12.462 ( 0.000 0.000 -20.240) 20.240 12.465 ( 0.000 0.000 6.570) 6.570 12.506 ( 0.000 0.000 -0.222) 0.222 12.543 ( 0.000 0.000 3.873) 3.873 12.700 ( 0.000 0.000 -5.918) 5.918 13.317 ( 0.000 0.000 3.013) 3.013 13.376 ( 0.000 0.000 -0.494) 0.494 13.541 ( 0.000 0.000 3.667) 3.667 13.638 ( 0.000 0.000 -4.224) 4.224 14.069 ( 0.000 0.000 2.902) 2.902 14.084 ( 0.000 0.000 10.289) 10.289 14.133 ( 0.000 0.000 -2.359) 2.359 14.153 ( 0.000 0.000 1.418) 1.418 14.264 ( 0.000 0.000 -2.066) 2.066 14.432 ( 0.000 0.000 -11.884) 11.884 14.716 ( 0.000 0.000 8.647) 8.647 14.834 ( 0.000 0.000 -1.286) 1.286 15.466 ( 0.000 0.000 3.264) 3.264 15.561 ( 0.000 0.000 -4.649) 4.649 15.633 ( 0.000 0.000 4.427) 4.427 15.745 ( 0.000 0.000 -4.517) 4.517 15.825 ( 0.000 0.000 4.923) 4.923 15.940 ( 0.000 0.000 -5.085) 5.085 16.282 ( 0.000 0.000 10.175) 10.175 16.544 ( 0.000 0.000 -11.359) 11.359 16.846 ( 0.000 0.000 2.489) 2.489 16.905 ( 0.000 0.000 -2.230) 2.230 18.688 ( 0.000 0.000 10.772) 10.772 18.937 ( 0.000 0.000 -9.311) 9.311 19.340 ( 0.000 0.000 2.419) 2.419 19.400 ( 0.000 0.000 -2.376) 2.376 22.389 ( 0.000 0.000 2.041) 2.041 22.451 ( 0.000 0.000 -3.156) 3.156 22.718 ( 0.000 0.000 3.423) 3.423 22.755 ( 0.000 0.000 5.637) 5.637 22.787 ( 0.000 0.000 -2.311) 2.311 22.893 ( 0.000 0.000 -5.386) 5.386 27.517 ( 0.000 0.000 0.068) 0.068 27.519 ( 0.000 0.000 -0.065) 0.065 27.584 ( 0.000 0.000 0.007) 0.007 27.584 ( 0.000 0.000 -0.015) 0.015 27.979 ( 0.000 0.000 0.859) 0.859 28.001 ( 0.000 0.000 -0.858) 0.858 29.294 ( 0.000 0.000 2.818) 2.818 29.376 ( 0.000 0.000 -3.970) 3.970 29.523 ( 0.000 0.000 0.962) 0.962 29.544 ( 0.000 0.000 -0.758) 0.758 29.933 ( 0.000 0.000 4.768) 4.768 30.039 ( 0.000 0.000 -3.861) 3.861 30.922 ( 0.000 0.000 7.406) 7.406 31.138 ( 0.000 0.000 -10.491) 10.491 31.939 ( 0.000 0.000 9.100) 9.100 32.120 ( 0.000 0.000 -5.975) 5.975 33.468 ( 0.000 0.000 1.508) 1.508 33.505 ( 0.000 0.000 -1.467) 1.467 37.448 ( 0.000 0.000 0.228) 0.228 37.454 ( 0.000 0.000 -0.226) 0.226 ======================= Grid point 100 (32/60) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 29.418 0.000 24.716) 38.423 1.338 ( 34.360 0.000 24.878) 42.420 1.861 ( 20.574 0.000 -22.271) 30.320 1.995 ( 20.864 0.000 -11.966) 24.052 2.173 ( 21.851 0.000 43.476) 48.658 2.550 ( 7.362 0.000 12.470) 14.481 2.681 ( -7.648 0.000 1.161) 7.736 3.296 ( 3.482 0.000 20.864) 21.153 3.512 ( 2.197 0.000 -47.450) 47.500 3.684 ( 17.085 0.000 -13.648) 21.867 4.085 ( -6.992 0.000 7.736) 10.427 4.367 ( -5.822 0.000 -19.517) 20.366 4.589 ( 2.850 0.000 3.784) 4.737 4.744 ( 6.734 0.000 -5.122) 8.460 5.476 ( -8.466 0.000 7.342) 11.206 5.596 ( -12.851 0.000 -2.852) 13.164 6.568 ( 18.736 0.000 5.740) 19.595 6.728 ( 16.386 0.000 -7.982) 18.227 6.973 ( -12.931 0.000 9.933) 16.306 7.250 ( -8.667 0.000 -6.191) 10.651 7.355 ( -4.677 0.000 -3.445) 5.809 7.441 ( 5.345 0.000 -5.935) 7.987 8.083 ( 9.624 0.000 16.597) 19.185 8.483 ( -2.978 0.000 -12.717) 13.061 8.510 ( -4.635 0.000 5.283) 7.029 8.640 ( 4.430 0.000 -8.151) 9.277 8.849 ( -4.771 0.000 30.852) 31.219 8.928 ( -8.902 0.000 18.999) 20.982 9.271 ( -7.012 0.000 -4.162) 8.154 9.427 ( -13.172 0.000 -12.530) 18.180 9.709 ( -6.945 0.000 -9.542) 11.802 9.897 ( -8.923 0.000 -17.139) 19.323 10.210 ( -1.406 0.000 -4.838) 5.038 10.311 ( -11.192 0.000 -11.018) 15.706 10.366 ( 3.764 0.000 13.787) 14.291 10.615 ( 4.099 0.000 -5.489) 6.851 10.623 ( 2.748 0.000 4.034) 4.881 10.732 ( -3.239 0.000 -5.410) 6.305 10.894 ( -4.947 0.000 6.416) 8.102 10.925 ( 4.188 0.000 4.574) 6.202 11.027 ( 11.499 0.000 5.369) 12.691 11.079 ( 9.385 0.000 3.415) 9.987 11.274 ( 2.841 0.000 0.967) 3.001 11.285 ( 2.170 0.000 -0.045) 2.171 11.326 ( -1.853 0.000 8.314) 8.518 11.567 ( 3.091 0.000 -10.646) 11.085 11.720 ( -0.140 0.000 -0.724) 0.737 11.804 ( 2.027 0.000 -5.548) 5.907 11.955 ( -2.022 0.000 6.722) 7.019 12.125 ( -8.825 0.000 -4.661) 9.980 12.249 ( 4.401 0.000 3.446) 5.589 12.374 ( -4.063 0.000 -7.822) 8.814 12.431 ( -4.881 0.000 0.908) 4.964 12.442 ( -6.427 0.000 -0.382) 6.438 12.551 ( 2.336 0.000 8.404) 8.723 12.707 ( 0.790 0.000 -2.405) 2.532 13.324 ( -14.153 0.000 1.969) 14.289 13.348 ( -12.666 0.000 13.938) 18.833 13.405 ( -4.866 0.000 -1.456) 5.080 13.418 ( 5.303 0.000 3.385) 6.291 13.886 ( 0.260 0.000 3.577) 3.586 14.020 ( -3.448 0.000 -5.423) 6.426 14.066 ( -5.210 0.000 -0.078) 5.211 14.221 ( -1.156 0.000 -5.178) 5.306 14.312 ( 1.301 0.000 8.143) 8.246 14.461 ( 2.184 0.000 -6.822) 7.163 14.743 ( -4.009 0.000 11.624) 12.296 14.851 ( 1.347 0.000 0.151) 1.355 15.455 ( -11.966 0.000 -2.401) 12.205 15.496 ( 4.727 0.000 -5.485) 7.241 15.679 ( -7.045 0.000 3.152) 7.718 15.731 ( -6.163 0.000 -4.286) 7.507 15.850 ( -3.911 0.000 -0.491) 3.941 15.933 ( 9.988 0.000 -6.984) 12.187 16.457 ( 18.970 0.000 -0.189) 18.971 16.505 ( 0.330 0.000 -1.746) 1.777 16.970 ( 9.931 0.000 0.108) 9.931 16.996 ( 7.157 0.000 -1.290) 7.272 18.180 ( -33.112 0.000 4.607) 33.431 18.216 ( -37.003 0.000 4.676) 37.297 19.815 ( 21.984 0.000 6.182) 22.836 19.832 ( 32.246 0.000 2.448) 32.338 22.414 ( -4.816 0.000 -0.300) 4.825 22.490 ( -2.851 0.000 -7.553) 8.073 22.732 ( 1.820 0.000 2.973) 3.486 22.800 ( 2.153 0.000 -2.777) 3.514 22.898 ( 10.689 0.000 -4.234) 11.497 22.914 ( 1.946 0.000 -2.524) 3.187 27.519 ( 0.186 0.000 0.065) 0.197 27.520 ( 0.154 0.000 -0.044) 0.160 27.577 ( -0.451 0.000 -0.009) 0.451 27.578 ( -0.301 0.000 -0.154) 0.338 28.110 ( 8.502 0.000 -0.174) 8.503 28.116 ( 9.733 0.000 -0.451) 9.744 29.435 ( -5.543 0.000 0.134) 5.545 29.453 ( -6.431 0.000 -1.230) 6.548 29.608 ( 18.783 0.000 4.413) 19.294 29.905 ( 39.459 0.000 -26.928) 47.771 29.990 ( 5.673 0.000 4.548) 7.271 30.095 ( 6.176 0.000 -4.441) 7.607 30.987 ( 5.886 0.000 7.913) 9.862 31.281 ( 10.912 0.000 -21.052) 23.712 31.892 ( -3.812 0.000 4.645) 6.009 32.012 ( -9.916 0.000 -4.330) 10.820 33.538 ( 6.645 0.000 2.388) 7.061 33.601 ( 8.986 0.000 -2.513) 9.331 36.593 ( -59.562 0.000 47.001) 75.873 37.111 ( -31.021 0.000 -9.121) 32.334 ======================= Grid point 101 (33/60) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 21.592 0.000 21.931) 30.776 2.086 ( 38.094 0.000 8.688) 39.073 2.270 ( 19.417 0.000 -12.027) 22.840 2.403 ( 22.034 0.000 -6.216) 22.894 2.633 ( 19.062 0.000 17.069) 25.587 2.679 ( 8.376 0.000 5.393) 9.963 3.010 ( 34.323 0.000 13.409) 36.850 3.354 ( 2.540 0.000 14.285) 14.509 3.576 ( 5.462 0.000 -20.913) 21.615 3.838 ( -9.274 0.000 16.778) 19.171 3.921 ( 3.396 0.000 -32.824) 32.999 4.385 ( 10.016 0.000 -26.667) 28.486 4.809 ( 12.385 0.000 1.146) 12.438 4.915 ( 9.489 0.000 -4.743) 10.608 5.247 ( -11.630 0.000 8.539) 14.428 5.281 ( -16.926 0.000 4.737) 17.577 6.719 ( -11.155 0.000 7.961) 13.705 6.954 ( -12.690 0.000 -9.339) 15.756 6.996 ( 20.993 0.000 -2.453) 21.136 7.032 ( 9.771 0.000 -4.096) 10.595 7.459 ( 8.058 0.000 3.816) 8.916 7.509 ( 1.602 0.000 4.640) 4.909 8.072 ( -31.147 0.000 4.804) 31.515 8.191 ( -18.884 0.000 -6.732) 20.048 8.322 ( 13.417 0.000 5.136) 14.367 8.709 ( -4.720 0.000 -16.223) 16.896 8.745 ( -5.031 0.000 29.377) 29.805 9.061 ( 13.937 0.000 14.731) 20.279 9.090 ( -8.470 0.000 9.869) 13.005 9.207 ( -9.453 0.000 -15.198) 17.899 9.699 ( -8.409 0.000 -12.816) 15.328 9.741 ( 10.877 0.000 -12.191) 16.338 10.108 ( -9.054 0.000 -6.810) 11.329 10.184 ( -0.902 0.000 -11.571) 11.606 10.344 ( -3.335 0.000 12.897) 13.321 10.577 ( -6.274 0.000 -1.722) 6.506 10.669 ( -5.623 0.000 0.670) 5.663 10.697 ( 1.182 0.000 0.504) 1.285 10.823 ( -1.222 0.000 6.064) 6.186 10.947 ( 2.497 0.000 -4.111) 4.810 11.166 ( -0.364 0.000 9.177) 9.184 11.206 ( -1.161 0.000 2.309) 2.584 11.277 ( -3.898 0.000 3.342) 5.134 11.298 ( -0.575 0.000 -1.738) 1.831 11.391 ( 12.713 0.000 8.450) 15.265 11.555 ( -6.120 0.000 -2.445) 6.591 11.752 ( 4.326 0.000 -5.826) 7.257 11.818 ( -2.834 0.000 -7.297) 7.828 12.050 ( 4.198 0.000 2.407) 4.839 12.089 ( 13.755 0.000 -1.599) 13.848 12.239 ( -9.023 0.000 -0.203) 9.026 12.261 ( -10.108 0.000 -2.131) 10.330 12.320 ( -3.494 0.000 0.660) 3.556 12.361 ( 2.385 0.000 -2.183) 3.233 12.590 ( -1.144 0.000 9.434) 9.503 12.774 ( 5.127 0.000 -2.707) 5.798 13.029 ( -13.847 0.000 -1.216) 13.900 13.037 ( -8.913 0.000 0.193) 8.915 13.466 ( 4.438 0.000 12.942) 13.682 13.598 ( 9.907 0.000 -0.216) 9.910 13.846 ( -8.693 0.000 1.866) 8.891 13.992 ( 0.346 0.000 -3.776) 3.792 14.020 ( 4.527 0.000 -5.435) 7.073 14.122 ( -8.552 0.000 -14.124) 16.511 14.323 ( -2.232 0.000 10.077) 10.321 14.485 ( -0.227 0.000 -4.156) 4.162 14.603 ( -7.213 0.000 15.098) 16.732 14.821 ( -7.727 0.000 -3.190) 8.360 15.205 ( -5.320 0.000 11.957) 13.087 15.534 ( -6.528 0.000 -11.931) 13.600 15.627 ( -0.596 0.000 -0.055) 0.599 15.658 ( 5.666 0.000 -4.889) 7.484 15.710 ( -7.579 0.000 6.141) 9.755 15.941 ( -6.828 0.000 -13.813) 15.408 16.671 ( 12.090 0.000 11.689) 16.816 16.866 ( 19.441 0.000 -6.185) 20.401 17.122 ( 4.124 0.000 1.111) 4.270 17.162 ( 8.588 0.000 -2.573) 8.965 17.611 ( -22.899 0.000 2.588) 23.044 17.653 ( -21.495 0.000 -0.467) 21.500 20.260 ( 23.774 0.000 9.975) 25.782 20.422 ( 27.640 0.000 -3.572) 27.870 22.252 ( -11.273 0.000 1.606) 11.387 22.318 ( -12.935 0.000 -3.509) 13.403 22.787 ( 3.475 0.000 2.721) 4.413 22.849 ( 2.758 0.000 -2.059) 3.442 22.953 ( 1.682 0.000 1.084) 2.001 23.025 ( 2.681 0.000 -5.405) 6.033 27.524 ( 0.376 0.000 0.052) 0.380 27.525 ( 0.359 0.000 -0.011) 0.359 27.570 ( -0.292 0.000 0.039) 0.295 27.573 ( -0.301 0.000 -0.201) 0.362 28.282 ( 9.303 0.000 1.597) 9.439 28.319 ( 10.448 0.000 -1.394) 10.541 29.276 ( -9.452 0.000 0.402) 9.461 29.285 ( -9.800 0.000 -0.366) 9.807 30.053 ( 23.200 0.000 13.977) 27.085 30.143 ( 9.514 0.000 4.405) 10.485 30.237 ( 9.831 0.000 -3.328) 10.379 30.550 ( 25.140 0.000 -25.598) 35.879 31.114 ( 6.228 0.000 7.755) 9.946 31.394 ( -1.204 0.000 -15.344) 15.391 31.783 ( -12.299 0.000 -0.908) 12.332 31.839 ( -1.189 0.000 -12.461) 12.517 33.704 ( 9.896 0.000 4.849) 11.020 33.825 ( 13.453 0.000 -4.696) 14.249 35.628 ( -38.896 0.000 50.028) 63.370 36.394 ( -39.068 0.000 -19.128) 43.499 ======================= Grid point 102 (34/60) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 16.053 0.000 14.995) 21.967 2.546 ( 15.524 0.000 -9.545) 18.224 2.802 ( 23.066 0.000 -4.554) 23.512 2.862 ( 20.812 0.000 1.258) 20.850 2.965 ( 7.257 0.000 27.133) 28.087 2.971 ( 23.097 0.000 2.399) 23.221 3.163 ( 3.369 0.000 -1.179) 3.569 3.522 ( 6.012 0.000 7.522) 9.630 3.684 ( 3.659 0.000 -5.558) 6.654 3.925 ( 0.631 0.000 -36.733) 36.739 4.139 ( 29.128 0.000 19.914) 35.285 4.654 ( 7.774 0.000 -17.942) 19.553 4.698 ( -13.711 0.000 4.218) 14.345 4.813 ( -8.981 0.000 -8.639) 12.462 5.258 ( 9.588 0.000 6.959) 11.847 5.316 ( 11.387 0.000 0.844) 11.418 6.514 ( -8.876 0.000 6.587) 11.053 6.714 ( -9.375 0.000 -9.460) 13.319 7.202 ( 7.958 0.000 4.343) 9.066 7.250 ( -4.134 0.000 2.443) 4.802 7.398 ( -18.192 0.000 -0.098) 18.193 7.421 ( -19.693 0.000 -2.815) 19.893 7.642 ( 7.420 0.000 11.428) 13.625 7.980 ( -1.580 0.000 -13.235) 13.329 8.507 ( -11.011 0.000 6.324) 12.698 8.533 ( 2.498 0.000 11.420) 11.690 8.784 ( 13.724 0.000 2.819) 14.010 8.920 ( -10.680 0.000 3.098) 11.121 9.170 ( -3.732 0.000 -4.715) 6.014 9.174 ( 8.289 0.000 -15.500) 17.577 9.645 ( -1.438 0.000 2.633) 3.000 9.889 ( -2.142 0.000 -11.299) 11.500 10.038 ( 5.557 0.000 8.508) 10.162 10.283 ( 3.876 0.000 8.902) 9.709 10.319 ( 11.574 0.000 -11.753) 16.495 10.434 ( -8.132 0.000 7.638) 11.156 10.535 ( -5.734 0.000 -3.843) 6.903 10.620 ( -7.797 0.000 -3.278) 8.458 10.789 ( -3.244 0.000 8.123) 8.747 11.022 ( 1.518 0.000 -9.264) 9.387 11.125 ( -2.457 0.000 6.799) 7.229 11.138 ( -2.784 0.000 2.148) 3.516 11.212 ( -0.789 0.000 4.307) 4.379 11.288 ( -0.548 0.000 -2.338) 2.402 11.407 ( -6.487 0.000 4.601) 7.953 11.579 ( 4.005 0.000 -3.888) 5.582 11.747 ( -2.248 0.000 -3.137) 3.859 11.798 ( -2.494 0.000 -4.191) 4.877 12.024 ( -11.504 0.000 -0.895) 11.539 12.032 ( -8.815 0.000 -2.315) 9.114 12.125 ( -4.530 0.000 6.373) 7.818 12.254 ( -5.933 0.000 -3.240) 6.761 12.337 ( 8.012 0.000 4.993) 9.441 12.453 ( 10.585 0.000 -4.117) 11.357 12.556 ( 2.606 0.000 3.904) 4.694 12.715 ( -8.149 0.000 -9.101) 12.216 13.010 ( 9.216 0.000 3.698) 9.930 13.053 ( 8.017 0.000 -0.159) 8.019 13.530 ( 0.418 0.000 13.033) 13.040 13.668 ( -6.262 0.000 1.028) 6.346 13.760 ( 5.612 0.000 -6.405) 8.516 13.893 ( -13.311 0.000 -15.011) 20.063 14.040 ( 4.076 0.000 1.587) 4.374 14.106 ( -2.548 0.000 -0.358) 2.573 14.213 ( -1.675 0.000 10.641) 10.772 14.437 ( -4.727 0.000 -5.572) 7.307 14.524 ( -2.562 0.000 6.008) 6.532 14.606 ( -10.013 0.000 0.038) 10.013 15.281 ( 8.619 0.000 9.003) 12.463 15.406 ( -5.238 0.000 -1.264) 5.388 15.532 ( -6.958 0.000 2.030) 7.248 15.598 ( -3.288 0.000 -2.855) 4.354 15.837 ( -0.365 0.000 -5.848) 5.859 15.889 ( 14.101 0.000 -8.274) 16.350 16.697 ( -12.783 0.000 14.569) 19.382 16.970 ( -15.173 0.000 -7.371) 16.868 17.224 ( 11.778 0.000 0.487) 11.788 17.284 ( 6.105 0.000 -3.572) 7.073 17.413 ( 1.516 0.000 1.650) 2.240 17.439 ( -0.764 0.000 -0.656) 1.007 20.734 ( 24.294 0.000 8.248) 25.656 20.916 ( 22.906 0.000 -6.293) 23.755 21.994 ( -14.716 0.000 0.797) 14.738 22.013 ( -17.768 0.000 -0.761) 17.785 22.856 ( 3.333 0.000 2.253) 4.023 22.905 ( 2.882 0.000 -1.686) 3.339 22.970 ( -0.015 0.000 2.171) 2.171 23.037 ( -0.840 0.000 -3.180) 3.289 27.533 ( 0.533 0.000 0.049) 0.535 27.534 ( 0.540 0.000 -0.007) 0.540 27.564 ( -0.337 0.000 0.031) 0.339 27.566 ( -0.428 0.000 -0.099) 0.439 28.474 ( 10.242 0.000 1.700) 10.383 28.519 ( 9.957 0.000 -1.852) 10.128 29.086 ( -9.775 0.000 0.071) 9.776 29.086 ( -10.375 0.000 0.026) 10.375 30.342 ( 10.352 0.000 5.339) 11.648 30.437 ( 14.740 0.000 16.951) 22.464 30.454 ( 12.059 0.000 -3.628) 12.593 30.933 ( 12.283 0.000 -22.132) 25.312 31.212 ( 3.805 0.000 4.984) 6.271 31.308 ( -3.181 0.000 -1.739) 3.625 31.561 ( -9.930 0.000 3.051) 10.388 31.798 ( -4.251 0.000 -20.429) 20.867 33.922 ( 12.411 0.000 8.729) 15.173 34.125 ( 17.373 0.000 -7.559) 18.946 35.001 ( -26.682 0.000 35.621) 44.506 35.655 ( -35.479 0.000 -19.678) 40.571 ======================= Grid point 103 (35/60) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 13.931 0.000 13.617) 19.481 2.708 ( -14.932 0.000 10.884) 18.477 2.834 ( 13.113 0.000 -15.837) 20.562 2.990 ( -0.664 0.000 -15.502) 15.516 3.325 ( 17.629 0.000 15.919) 23.753 3.443 ( 18.492 0.000 -0.319) 18.495 3.520 ( 12.636 0.000 8.566) 15.266 3.565 ( 7.991 0.000 6.834) 10.515 3.673 ( -5.687 0.000 -3.387) 6.620 4.039 ( 12.719 0.000 -24.052) 27.208 4.042 ( -24.640 0.000 15.813) 29.277 4.368 ( -18.655 0.000 -8.859) 20.651 5.003 ( 28.117 0.000 0.665) 28.125 5.086 ( 17.521 0.000 -7.726) 19.149 5.325 ( -4.881 0.000 1.360) 5.067 5.376 ( -7.927 0.000 -2.519) 8.318 6.453 ( 5.490 0.000 8.956) 10.504 6.662 ( 6.024 0.000 -8.805) 10.668 6.766 ( -25.011 0.000 10.817) 27.250 6.956 ( -22.044 0.000 -6.635) 23.021 7.428 ( 16.307 0.000 5.847) 17.323 7.482 ( 10.915 0.000 0.682) 10.936 7.690 ( -6.610 0.000 3.109) 7.304 7.797 ( -18.279 0.000 -1.509) 18.341 8.491 ( 8.667 0.000 6.304) 10.717 8.644 ( 11.688 0.000 0.766) 11.713 8.704 ( -11.384 0.000 2.320) 11.618 8.896 ( -10.023 0.000 -15.850) 18.753 9.226 ( 15.171 0.000 3.227) 15.511 9.437 ( 16.074 0.000 -13.779) 21.171 9.508 ( -11.530 0.000 1.451) 11.621 9.729 ( -12.428 0.000 -11.506) 16.937 10.208 ( 5.559 0.000 18.861) 19.664 10.290 ( -5.525 0.000 13.554) 14.637 10.308 ( 3.620 0.000 4.591) 5.847 10.440 ( -9.099 0.000 -1.187) 9.176 10.528 ( 6.488 0.000 0.479) 6.505 10.688 ( -7.193 0.000 8.049) 10.794 10.688 ( 17.812 0.000 -8.641) 19.798 10.937 ( -8.002 0.000 -5.765) 9.862 11.121 ( 2.895 0.000 1.909) 3.468 11.155 ( 3.304 0.000 -3.634) 4.911 11.219 ( -5.779 0.000 0.414) 5.794 11.231 ( -1.111 0.000 -1.313) 1.720 11.402 ( 5.889 0.000 3.731) 6.971 11.577 ( 0.549 0.000 -10.041) 10.056 11.603 ( -13.387 0.000 2.345) 13.591 11.679 ( -7.147 0.000 -3.935) 8.159 11.896 ( 0.891 0.000 1.860) 2.063 11.985 ( -7.100 0.000 4.436) 8.372 11.986 ( 2.205 0.000 -4.759) 5.245 12.081 ( -7.618 0.000 -2.989) 8.184 12.504 ( 6.898 0.000 5.504) 8.825 12.603 ( -4.126 0.000 -0.395) 4.144 12.619 ( 4.456 0.000 -3.814) 5.865 12.635 ( 2.891 0.000 -2.693) 3.951 13.211 ( 10.454 0.000 2.823) 10.829 13.273 ( 13.649 0.000 -2.106) 13.810 13.408 ( -9.492 0.000 5.414) 10.928 13.566 ( -15.821 0.000 -7.225) 17.393 13.711 ( 7.715 0.000 8.028) 11.134 13.909 ( -11.689 0.000 11.031) 16.072 13.921 ( 8.219 0.000 -9.094) 12.257 14.068 ( -4.088 0.000 -2.925) 5.027 14.316 ( 6.976 0.000 0.434) 6.989 14.369 ( 0.932 0.000 -3.229) 3.361 14.444 ( -5.693 0.000 1.405) 5.863 14.457 ( -6.213 0.000 0.665) 6.249 15.362 ( 0.899 0.000 2.833) 2.972 15.422 ( -4.577 0.000 2.423) 5.179 15.429 ( 5.439 0.000 -2.021) 5.803 15.515 ( -4.252 0.000 -5.752) 7.153 15.980 ( 14.259 0.000 8.450) 16.574 16.210 ( 18.427 0.000 -9.436) 20.703 16.334 ( -20.334 0.000 12.958) 24.112 16.595 ( -20.412 0.000 -8.551) 22.131 17.403 ( 5.784 0.000 -0.055) 5.784 17.412 ( 5.073 0.000 -0.698) 5.121 17.455 ( 0.020 0.000 0.166) 0.168 17.455 ( 0.658 0.000 0.090) 0.664 21.200 ( 23.095 0.000 5.255) 23.685 21.328 ( 19.422 0.000 -4.959) 20.045 21.633 ( -20.929 0.000 2.135) 21.038 21.683 ( -16.975 0.000 -1.868) 17.077 22.914 ( 2.572 0.000 1.994) 3.255 22.955 ( -1.501 0.000 2.092) 2.575 22.959 ( 2.647 0.000 -1.643) 3.115 23.007 ( -2.115 0.000 -2.047) 2.943 27.545 ( 0.601 0.000 0.041) 0.602 27.545 ( 0.590 0.000 -0.018) 0.590 27.556 ( -0.523 0.000 -0.004) 0.523 27.556 ( -0.521 0.000 -0.005) 0.521 28.678 ( 10.458 0.000 1.161) 10.523 28.710 ( 9.589 0.000 -1.409) 9.692 28.882 ( -10.425 0.000 0.525) 10.438 28.897 ( -9.540 0.000 -0.618) 9.560 30.525 ( 7.551 0.000 8.299) 11.220 30.597 ( 1.436 0.000 13.877) 13.951 30.697 ( 12.419 0.000 -5.263) 13.488 30.922 ( -9.557 0.000 -10.483) 14.186 31.286 ( 4.560 0.000 3.751) 5.905 31.399 ( -6.861 0.000 5.393) 8.727 31.432 ( 12.344 0.000 -9.717) 15.710 31.659 ( -9.820 0.000 -16.666) 19.344 34.196 ( 15.778 0.000 14.523) 21.445 34.515 ( 22.699 0.000 -11.307) 25.359 34.546 ( -20.249 0.000 23.234) 30.820 35.021 ( -29.118 0.000 -15.785) 33.122 ======================= Grid point 108 (36/60) ======================= q-point: ( 0.00 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 0.000 37.962 22.399) 44.078 1.451 ( 0.000 34.075 29.226) 44.891 1.895 ( 0.000 22.979 -21.535) 31.492 2.048 ( 0.000 27.085 11.218) 29.316 2.266 ( 0.000 25.238 23.590) 34.546 2.575 ( 0.000 7.067 9.823) 12.101 2.845 ( 0.000 1.801 -9.999) 10.160 3.256 ( 0.000 11.471 5.304) 12.638 3.584 ( 0.000 8.735 -6.863) 11.108 3.736 ( 0.000 16.359 -47.517) 50.254 4.124 ( 0.000 1.938 17.609) 17.715 4.501 ( 0.000 3.478 -12.137) 12.625 4.724 ( 0.000 14.658 6.291) 15.951 4.916 ( 0.000 21.670 -8.732) 23.364 5.486 ( 0.000 -6.862 8.949) 11.277 5.686 ( 0.000 -4.964 -6.296) 8.018 6.371 ( 0.000 1.322 5.865) 6.012 6.562 ( 0.000 2.959 -10.060) 10.486 6.981 ( 0.000 -15.440 12.241) 19.704 7.034 ( 0.000 -16.119 7.335) 17.709 7.258 ( 0.000 -10.831 -12.339) 16.418 7.371 ( 0.000 -14.108 -16.933) 22.041 7.965 ( 0.000 -0.748 18.236) 18.251 8.326 ( 0.000 -3.017 -7.725) 8.293 8.379 ( 0.000 -12.462 7.311) 14.448 8.508 ( 0.000 -16.773 -4.534) 17.375 8.990 ( 0.000 3.247 21.763) 22.004 9.028 ( 0.000 -4.203 13.466) 14.107 9.323 ( 0.000 -3.175 -4.540) 5.540 9.526 ( 0.000 -3.023 -16.336) 16.613 9.630 ( 0.000 -18.849 12.299) 22.506 9.947 ( 0.000 -4.310 -12.846) 13.549 9.948 ( 0.000 -19.252 2.604) 19.427 10.147 ( 0.000 -23.190 -8.523) 24.707 10.331 ( 0.000 0.742 -3.928) 3.998 10.468 ( 0.000 -3.733 -7.839) 8.682 10.646 ( 0.000 5.917 0.047) 5.918 10.727 ( 0.000 5.484 -7.215) 9.062 10.838 ( 0.000 1.998 9.311) 9.523 10.930 ( 0.000 -3.833 3.748) 5.361 11.088 ( 0.000 5.775 3.297) 6.650 11.165 ( 0.000 1.501 -3.128) 3.470 11.304 ( 0.000 -10.722 2.371) 10.981 11.358 ( 0.000 7.502 5.090) 9.066 11.411 ( 0.000 -6.201 1.601) 6.404 11.465 ( 0.000 17.529 -3.413) 17.858 11.541 ( 0.000 -11.903 -2.037) 12.076 11.714 ( 0.000 -1.345 -9.225) 9.322 11.926 ( 0.000 -7.890 3.788) 8.752 11.967 ( 0.000 -6.737 0.218) 6.741 12.112 ( 0.000 5.283 9.143) 10.559 12.382 ( 0.000 -4.157 -9.956) 10.789 12.595 ( 0.000 7.001 0.194) 7.003 12.608 ( 0.000 9.146 -0.994) 9.200 13.000 ( 0.000 -13.078 14.968) 19.877 13.101 ( 0.000 33.908 5.158) 34.298 13.196 ( 0.000 29.057 -2.902) 29.202 13.270 ( 0.000 -14.871 -10.283) 18.079 13.552 ( 0.000 1.295 4.306) 4.496 13.685 ( 0.000 4.525 -6.401) 7.839 13.910 ( 0.000 -15.936 5.688) 16.920 14.013 ( 0.000 -10.623 -5.085) 11.777 14.089 ( 0.000 1.914 3.295) 3.810 14.155 ( 0.000 2.719 -2.144) 3.463 14.217 ( 0.000 -6.010 5.467) 8.124 14.352 ( 0.000 -10.077 -3.282) 10.598 14.610 ( 0.000 -1.408 3.817) 4.069 14.715 ( 0.000 -7.119 -2.518) 7.551 15.411 ( 0.000 9.736 13.456) 16.609 15.534 ( 0.000 -8.289 4.967) 9.663 15.634 ( 0.000 6.267 -5.760) 8.512 15.658 ( 0.000 -7.701 -4.951) 9.155 16.131 ( 0.000 14.099 4.833) 14.904 16.326 ( 0.000 18.343 -9.700) 20.750 16.603 ( 0.000 20.118 2.697) 20.298 16.764 ( 0.000 -7.372 2.861) 7.908 16.831 ( 0.000 -6.869 -2.514) 7.315 16.858 ( 0.000 27.849 -19.551) 34.027 18.859 ( 0.000 9.296 8.809) 12.806 18.870 ( 0.000 10.157 7.830) 12.824 19.199 ( 0.000 -12.077 2.342) 12.302 19.257 ( 0.000 -12.284 -2.296) 12.497 22.377 ( 0.000 -1.590 2.310) 2.805 22.443 ( 0.000 -1.350 -3.113) 3.393 22.685 ( 0.000 -2.786 5.027) 5.748 22.864 ( 0.000 12.643 3.318) 13.072 22.903 ( 0.000 -0.233 -13.931) 13.932 22.936 ( 0.000 12.954 -2.540) 13.201 27.586 ( 0.000 6.381 0.627) 6.411 27.605 ( 0.000 7.635 -0.950) 7.694 27.991 ( 0.000 32.364 12.182) 34.581 28.039 ( 0.000 5.524 1.042) 5.621 28.065 ( 0.000 5.791 -1.023) 5.881 28.612 ( 0.000 58.367 -52.559) 78.544 29.307 ( 0.000 1.302 3.239) 3.491 29.402 ( 0.000 2.577 -4.625) 5.294 29.557 ( 0.000 3.115 1.042) 3.285 29.581 ( 0.000 3.223 -0.827) 3.327 29.960 ( 0.000 2.660 4.910) 5.584 30.067 ( 0.000 2.961 -3.779) 4.801 30.863 ( 0.000 -5.485 6.801) 8.737 31.037 ( 0.000 -8.387 -5.842) 10.221 31.895 ( 0.000 -3.923 10.479) 11.190 32.160 ( 0.000 1.494 -14.314) 14.392 33.497 ( 0.000 2.803 1.123) 3.020 33.525 ( 0.000 1.900 -1.096) 2.193 36.481 ( 0.000 -59.930 50.809) 78.569 37.062 ( 0.000 -32.759 -10.622) 34.439 ======================= Grid point 109 (37/60) ======================= q-point: ( 0.11 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 15.939 23.777 23.990) 37.348 1.753 ( 19.695 23.161 30.143) 42.813 2.038 ( 12.942 17.540 -20.948) 30.232 2.230 ( 13.146 18.286 -9.036) 24.266 2.507 ( 26.294 30.110 33.278) 52.014 2.652 ( 6.943 9.106 7.527) 13.704 2.856 ( 6.429 15.748 -3.553) 17.377 3.398 ( 7.874 10.970 6.548) 15.008 3.636 ( 2.044 6.462 -22.860) 23.844 3.716 ( 6.297 7.824 -24.302) 26.296 4.246 ( 0.061 14.287 6.901) 15.867 4.458 ( 2.890 4.729 -8.352) 10.024 4.651 ( -5.774 9.367 0.777) 11.031 4.825 ( -3.372 10.994 -7.857) 13.927 5.385 ( -9.937 -8.332 7.960) 15.216 5.531 ( -13.197 -6.037 -4.047) 15.066 6.582 ( 15.335 1.310 5.575) 16.370 6.754 ( 15.201 2.040 -8.672) 17.619 6.862 ( -5.697 -10.040 7.737) 13.897 7.055 ( -1.060 -12.243 -1.443) 12.373 7.205 ( -1.808 -12.965 -0.564) 13.102 7.444 ( 4.024 -4.957 -13.955) 15.347 8.033 ( 6.086 -5.194 17.893) 19.601 8.333 ( -7.620 -15.806 4.369) 18.083 8.368 ( -7.135 -11.008 -7.782) 15.253 8.506 ( 11.056 -9.598 -6.424) 15.989 8.862 ( -8.668 -1.970 19.932) 21.824 8.952 ( -5.204 5.059 16.214) 17.764 9.188 ( -12.483 -9.609 -1.297) 15.807 9.349 ( -10.898 -7.061 -5.423) 14.072 9.631 ( -4.252 -7.520 1.506) 8.769 9.826 ( -5.452 -5.154 -15.004) 16.775 10.106 ( 3.502 -9.859 -1.804) 10.617 10.154 ( -5.966 -16.741 -11.798) 21.332 10.295 ( 3.924 -5.590 -0.669) 6.862 10.405 ( 2.222 -7.259 -4.756) 8.958 10.684 ( -0.693 2.367 3.562) 4.333 10.775 ( -0.794 0.853 -3.587) 3.771 10.906 ( 1.865 4.493 4.865) 6.879 10.957 ( 8.610 1.676 3.540) 9.459 11.154 ( -1.201 6.073 1.844) 6.459 11.180 ( 3.411 0.835 4.383) 5.617 11.230 ( 1.966 -4.754 0.514) 5.170 11.318 ( -3.266 -3.552 -3.209) 5.795 11.422 ( -1.490 4.918 7.435) 9.038 11.556 ( 8.056 -2.960 0.248) 8.586 11.666 ( 5.699 4.707 -5.545) 9.240 11.683 ( -1.818 -3.972 -7.873) 9.003 11.867 ( -1.256 -5.683 3.093) 6.591 11.934 ( -2.568 -7.648 -0.778) 8.105 12.145 ( 0.894 0.005 5.061) 5.139 12.296 ( -6.524 -2.004 -5.571) 8.809 12.539 ( -5.121 7.884 0.348) 9.407 12.571 ( -3.350 8.591 -1.978) 9.431 12.921 ( -5.356 5.800 9.383) 12.263 13.040 ( -5.998 8.978 -2.074) 10.995 13.169 ( -1.783 6.766 12.860) 14.641 13.362 ( -9.659 3.865 -1.238) 10.477 13.431 ( -14.196 5.688 -3.079) 15.599 13.488 ( 9.848 4.350 -7.020) 12.852 13.875 ( -7.807 -4.630 2.714) 9.473 13.963 ( -2.665 -3.339 -5.174) 6.710 14.035 ( -1.498 -0.478 5.042) 5.282 14.188 ( 2.394 0.288 -4.268) 4.902 14.239 ( 2.197 -7.025 8.232) 11.043 14.401 ( 2.881 -7.807 -4.089) 9.272 14.644 ( -0.524 -5.458 5.696) 7.906 14.749 ( 2.470 -9.944 -2.615) 10.575 15.357 ( -2.924 3.215 8.883) 9.889 15.546 ( -2.857 1.058 -5.756) 6.512 15.660 ( 2.631 -1.346 5.521) 6.262 15.839 ( 6.429 -1.946 -7.934) 10.395 16.036 ( -6.969 13.379 0.218) 15.087 16.130 ( -16.194 19.494 -8.317) 26.672 16.555 ( -1.997 1.965 4.605) 5.390 16.646 ( 4.028 10.370 -2.636) 11.433 16.933 ( 7.941 -1.784 3.355) 8.803 17.078 ( 11.189 11.191 -9.654) 18.537 18.306 ( -32.185 10.465 3.069) 33.983 18.314 ( -30.923 9.366 4.042) 32.562 19.677 ( 25.215 -9.199 7.954) 27.994 19.760 ( 31.893 -4.990 0.121) 32.282 22.303 ( -8.191 -7.590 1.282) 11.240 22.385 ( -6.444 -5.813 -5.646) 10.354 22.843 ( 11.079 3.539 4.249) 12.382 22.900 ( 4.594 10.822 3.446) 12.251 22.959 ( 2.497 13.452 -2.726) 13.951 23.032 ( 9.547 3.350 -10.760) 14.770 27.586 ( 0.068 6.372 0.513) 6.393 27.603 ( -0.110 7.465 -0.960) 7.527 27.840 ( -7.428 19.721 5.634) 21.814 27.974 ( -7.865 16.579 -4.275) 18.842 28.235 ( 9.606 12.436 1.366) 15.773 28.340 ( -6.667 26.487 -8.543) 28.618 29.474 ( -5.216 3.649 0.172) 6.368 29.493 ( -5.987 3.626 -1.279) 7.116 29.621 ( 17.816 1.330 4.412) 18.402 29.925 ( 32.998 1.590 -25.343) 41.637 30.020 ( 7.695 2.867 3.092) 8.774 30.122 ( 5.795 2.850 -4.025) 7.610 30.927 ( 5.613 -5.572 6.445) 10.202 31.143 ( 8.654 -11.094 -12.283) 18.677 31.840 ( -5.249 -4.005 8.225) 10.547 32.066 ( -8.470 2.013 -13.619) 16.163 33.560 ( 6.000 2.134 2.023) 6.682 33.613 ( 8.306 1.163 -2.190) 8.668 36.072 ( -33.302 -37.599 54.599) 74.187 36.793 ( -25.236 -27.496 -15.381) 40.367 ======================= Grid point 110 (38/60) ======================= q-point: ( 0.22 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 19.398 7.901 18.777) 28.130 2.234 ( 29.949 9.472 21.472) 38.049 2.341 ( 16.687 8.507 -14.553) 23.719 2.533 ( 18.721 14.989 2.425) 24.105 2.826 ( 12.273 13.977 12.650) 22.494 2.961 ( 16.386 21.591 -6.199) 27.804 3.261 ( 21.033 19.349 5.543) 29.112 3.452 ( 7.374 11.733 9.627) 16.874 3.732 ( 5.607 14.562 -17.912) 23.756 3.893 ( 5.349 0.713 -20.816) 21.504 4.047 ( -6.900 16.037 9.263) 19.764 4.527 ( 2.277 14.508 -18.805) 23.860 4.759 ( 10.911 -3.789 0.540) 11.563 4.901 ( 8.335 -0.173 -5.990) 10.266 5.147 ( -9.057 -7.498 9.138) 14.891 5.241 ( -13.759 -4.345 2.090) 14.579 6.692 ( -4.572 -3.466 3.542) 6.742 6.774 ( -4.208 -9.439 -1.626) 10.462 7.016 ( 4.539 -1.819 1.217) 5.039 7.125 ( 11.530 3.265 -5.622) 13.237 7.271 ( 6.706 -11.217 3.258) 13.469 7.403 ( -8.411 -10.441 -4.052) 14.007 8.004 ( -17.458 -5.714 6.296) 19.418 8.192 ( -3.927 -2.722 -9.539) 10.669 8.253 ( 7.343 -4.509 10.580) 13.645 8.654 ( -5.063 -4.804 -12.318) 14.158 8.793 ( -1.264 1.250 24.949) 25.012 8.892 ( -0.183 -10.211 11.923) 15.699 8.989 ( -0.982 -12.402 -1.130) 12.492 9.154 ( -7.118 -5.491 -4.315) 9.972 9.559 ( -2.290 -7.630 -3.932) 8.883 9.717 ( -1.620 -2.018 -11.638) 11.922 9.997 ( -5.172 -8.894 -3.920) 11.010 10.140 ( -0.117 -4.455 -9.228) 10.248 10.393 ( 2.841 -0.878 -0.496) 3.014 10.466 ( 1.084 -6.843 -1.101) 7.015 10.645 ( -4.016 -2.291 7.156) 8.520 10.755 ( 0.516 -6.345 -1.056) 6.453 10.882 ( -3.237 5.976 3.737) 7.756 10.997 ( -5.694 5.904 -4.549) 9.379 11.135 ( 1.017 -1.570 10.124) 10.296 11.238 ( 0.089 4.145 3.057) 5.151 11.300 ( 2.236 -1.563 -2.526) 3.718 11.308 ( -1.160 1.658 0.862) 2.199 11.441 ( 5.729 -0.525 4.902) 7.559 11.556 ( -7.585 -0.335 -1.154) 7.679 11.629 ( 1.488 -4.993 -3.199) 6.114 11.735 ( -0.896 -1.532 -5.446) 5.728 11.945 ( 6.436 -9.408 0.651) 11.417 11.983 ( 3.052 -3.511 -1.722) 4.961 12.082 ( -6.344 -6.201 3.144) 9.412 12.188 ( -0.818 -6.989 -4.945) 8.600 12.456 ( -2.876 11.713 0.705) 12.082 12.511 ( -1.719 9.791 -3.442) 10.520 12.793 ( -9.368 7.829 9.261) 15.324 12.928 ( -12.943 -2.576 7.147) 15.008 13.000 ( -0.425 8.538 -4.503) 9.661 13.131 ( -6.623 -0.961 -6.572) 9.380 13.453 ( 5.855 9.396 11.484) 15.951 13.638 ( 2.357 3.795 -1.181) 4.621 13.764 ( -3.159 -7.741 -4.830) 9.656 13.880 ( -2.535 -0.508 -12.340) 12.608 14.033 ( 0.953 1.828 7.477) 7.756 14.195 ( -0.460 0.162 -4.589) 4.614 14.296 ( 1.099 -2.432 7.150) 7.631 14.451 ( 2.138 -4.712 -2.031) 5.559 14.566 ( -6.842 -3.035 9.585) 12.161 14.770 ( -1.585 -8.350 -4.317) 9.533 15.234 ( -8.770 5.072 10.110) 14.312 15.495 ( -2.890 -0.361 -8.968) 9.429 15.638 ( -0.069 -0.141 4.514) 4.517 15.771 ( -4.865 6.672 -6.220) 10.338 15.843 ( -10.074 11.270 0.527) 15.125 15.973 ( -6.539 4.742 -10.763) 13.457 16.613 ( 4.922 -5.862 12.536) 14.688 16.843 ( 7.876 -6.202 -7.259) 12.377 17.078 ( 8.622 4.352 8.166) 12.647 17.277 ( 9.100 10.321 -8.622) 16.238 17.798 ( -17.907 14.632 2.074) 23.218 17.832 ( -17.746 14.490 -0.463) 22.915 20.160 ( 24.569 -6.923 9.781) 27.335 20.338 ( 26.900 -5.991 -4.746) 27.964 22.102 ( -11.942 -9.448 2.524) 15.435 22.189 ( -13.016 -8.251 -4.416) 16.032 22.957 ( 4.317 14.194 2.780) 15.094 23.018 ( 3.768 13.813 -1.886) 14.442 23.063 ( 6.939 8.678 3.261) 11.580 23.181 ( 4.871 8.753 -6.367) 11.869 27.591 ( 0.456 6.454 0.282) 6.476 27.603 ( 0.127 7.148 -0.832) 7.198 27.732 ( -3.838 14.221 3.480) 15.135 27.817 ( -6.403 18.102 -3.450) 19.508 28.374 ( 6.478 9.219 1.790) 11.408 28.416 ( 9.047 9.062 -1.557) 12.899 29.318 ( -9.416 3.977 0.700) 10.245 29.334 ( -9.303 4.603 -0.631) 10.399 30.038 ( 21.454 -1.227 12.492) 24.856 30.156 ( 9.224 1.288 4.368) 10.287 30.270 ( 9.982 3.082 -2.961) 10.858 30.510 ( 23.042 -3.739 -22.798) 32.629 31.046 ( 5.938 -6.180 5.688) 10.286 31.260 ( 1.427 -11.554 -12.000) 16.719 31.704 ( -8.616 -4.530 4.129) 10.574 31.890 ( -8.073 0.863 -15.557) 17.548 33.712 ( 9.203 0.868 4.400) 10.238 33.822 ( 12.641 -0.246 -4.321) 13.361 35.430 ( -30.051 -16.672 46.442) 57.774 36.188 ( -33.967 -18.316 -20.262) 43.587 ======================= Grid point 111 (39/60) ======================= q-point: ( 0.33 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 15.119 2.679 14.659) 21.228 2.612 ( 12.188 5.354 -18.564) 22.844 2.839 ( 25.353 -0.126 21.257) 33.086 2.918 ( 18.298 11.232 3.147) 21.700 3.058 ( -11.130 7.834 -1.396) 13.682 3.188 ( 22.316 14.336 17.277) 31.655 3.380 ( 14.869 17.354 -10.178) 25.017 3.688 ( 5.149 13.924 6.768) 16.315 3.870 ( 4.425 12.726 -6.451) 14.937 3.930 ( 1.483 3.267 -21.990) 22.281 4.174 ( 9.907 4.538 7.959) 13.494 4.596 ( -3.984 -3.005 -15.192) 15.990 4.746 ( 3.490 8.033 4.890) 10.031 4.911 ( 0.172 10.357 -10.208) 14.543 5.209 ( 8.655 -4.544 7.880) 12.556 5.292 ( 10.699 -2.163 -0.266) 10.919 6.563 ( -6.631 2.955 4.159) 8.367 6.655 ( -5.867 -8.352 -3.684) 10.851 6.963 ( -8.212 -14.780 9.495) 19.392 7.181 ( -8.325 -10.631 -4.741) 14.311 7.274 ( -6.736 -4.909 1.571) 8.482 7.340 ( 3.589 0.575 -3.038) 4.737 7.794 ( -2.096 8.141 6.784) 10.802 8.039 ( -11.389 -0.707 -7.647) 13.736 8.385 ( -5.322 -8.914 10.259) 14.596 8.554 ( 7.579 -0.527 -1.259) 7.701 8.703 ( -5.856 -6.646 8.080) 11.989 8.878 ( -3.099 -5.568 -6.219) 8.904 9.056 ( 11.061 -5.134 -4.363) 12.951 9.206 ( 6.594 -1.445 -6.191) 9.159 9.529 ( 0.290 -8.074 5.673) 9.872 9.802 ( 3.091 -7.659 -9.509) 12.595 9.982 ( 5.864 -3.430 6.459) 9.374 10.198 ( 8.129 -6.676 -6.886) 12.572 10.397 ( -1.575 5.575 0.525) 5.817 10.413 ( -6.029 -1.382 6.707) 9.123 10.558 ( -3.357 -2.789 1.927) 4.771 10.684 ( -8.416 2.750 -6.425) 10.939 10.854 ( -2.076 -4.233 2.501) 5.337 10.897 ( -1.614 -2.945 -0.350) 3.377 11.130 ( -1.879 -0.063 5.202) 5.531 11.149 ( -8.827 2.069 5.225) 10.464 11.222 ( -5.836 0.640 0.991) 5.954 11.312 ( -2.880 2.414 -3.101) 4.872 11.427 ( -0.730 1.944 2.796) 3.482 11.553 ( 1.168 -1.420 -5.631) 5.924 11.665 ( 1.743 -7.562 0.828) 7.805 11.761 ( 4.939 -8.968 -3.460) 10.807 11.822 ( -12.012 -6.030 0.527) 13.451 11.880 ( -8.004 -8.094 -3.317) 11.856 12.142 ( 5.117 -7.036 5.853) 10.485 12.281 ( -2.396 -3.105 -5.597) 6.834 12.421 ( 3.687 8.823 -0.633) 9.583 12.482 ( -2.109 9.368 -5.806) 11.221 12.605 ( -4.250 3.999 8.362) 10.197 12.752 ( -4.873 -1.815 -1.691) 5.468 13.041 ( 5.752 8.802 3.439) 11.063 13.168 ( 6.336 -3.059 -4.347) 8.270 13.495 ( -2.112 2.692 8.588) 9.245 13.612 ( -2.373 -2.222 2.618) 4.174 13.747 ( 0.947 -1.246 -8.815) 8.953 13.859 ( -1.316 1.826 -12.646) 12.845 14.043 ( -2.352 0.236 10.503) 10.765 14.202 ( 1.279 1.573 -3.446) 3.999 14.251 ( -3.259 4.098 9.504) 10.851 14.443 ( -4.268 -3.551 6.264) 8.370 14.470 ( -1.366 0.019 -5.108) 5.287 14.620 ( -10.880 -0.992 -5.407) 12.190 15.211 ( 6.443 -4.172 11.190) 13.569 15.428 ( -2.487 2.375 -5.766) 6.713 15.635 ( -5.271 9.041 5.063) 11.625 15.698 ( -2.797 5.950 -0.228) 6.579 15.784 ( 0.963 -3.748 -5.364) 6.614 15.875 ( 4.839 0.658 -10.036) 11.161 16.550 ( -12.542 -10.645 13.043) 20.993 16.776 ( -12.034 -13.742 -5.580) 19.100 17.314 ( 12.612 9.701 3.684) 16.332 17.440 ( 7.839 11.971 -6.411) 15.680 17.627 ( -1.920 15.743 0.849) 15.882 17.632 ( -3.456 15.331 0.156) 15.717 20.637 ( 23.876 -6.844 7.971) 26.085 20.817 ( 22.204 -7.151 -6.506) 24.218 21.839 ( -15.031 -9.700 2.151) 18.018 21.894 ( -16.550 -8.600 -2.306) 18.793 23.040 ( 4.012 15.269 2.418) 15.971 23.093 ( 3.764 15.356 -1.823) 15.915 23.148 ( 2.017 13.377 2.871) 13.830 23.229 ( 0.495 13.255 -3.572) 13.737 27.605 ( 1.012 6.858 0.032) 6.932 27.610 ( 0.569 7.051 -0.446) 7.088 27.677 ( -2.016 10.579 2.079) 10.969 27.724 ( -3.511 12.978 -1.730) 13.555 28.534 ( 9.287 5.804 2.341) 11.199 28.594 ( 9.150 7.001 -2.445) 11.778 29.125 ( -10.137 4.122 0.879) 10.979 29.145 ( -9.752 5.273 -0.784) 11.114 30.350 ( 9.995 0.655 5.408) 11.383 30.392 ( 14.002 -3.021 11.045) 18.088 30.493 ( 11.965 2.451 0.928) 12.248 30.867 ( 12.067 -6.223 -18.521) 22.965 31.146 ( 3.878 -6.146 2.468) 7.675 31.226 ( -1.339 -7.711 -2.493) 8.214 31.514 ( -9.991 -4.065 4.339) 11.626 31.754 ( -6.962 -4.206 -18.366) 20.087 33.915 ( 11.643 -0.478 8.083) 14.182 34.105 ( 16.410 -1.850 -7.069) 17.963 34.909 ( -23.482 -8.246 32.936) 41.281 35.530 ( -32.269 -11.366 -19.188) 39.226 ======================= Grid point 112 (40/60) ======================= q-point: ( 0.44 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( 14.516 1.773 12.837) 19.459 2.740 ( -16.417 3.150 10.259) 19.613 2.839 ( 11.120 1.695 -16.965) 20.356 3.006 ( -3.468 1.228 -13.552) 14.042 3.341 ( 20.929 0.380 19.344) 28.502 3.602 ( 14.421 11.278 -1.390) 18.360 3.658 ( -3.411 9.329 5.079) 11.156 3.756 ( 2.362 13.206 2.448) 13.637 3.880 ( 4.675 7.681 1.049) 9.053 3.948 ( 1.290 7.312 7.767) 10.744 4.219 ( 3.491 14.913 -13.206) 20.223 4.401 ( -12.373 3.867 -12.627) 18.097 5.040 ( 17.743 5.534 -1.068) 18.617 5.068 ( 11.486 1.269 -5.160) 12.656 5.248 ( -5.621 -6.123 2.515) 8.685 5.325 ( -8.263 -3.793 -3.346) 9.688 6.530 ( 4.993 6.213 6.911) 10.549 6.633 ( 3.747 -4.131 -0.574) 5.607 6.763 ( -9.612 1.318 4.246) 10.591 6.914 ( -16.331 -2.858 -6.871) 17.947 7.298 ( 12.502 -7.812 11.790) 18.876 7.471 ( 10.823 -2.314 -3.265) 11.539 7.644 ( -17.823 -7.884 5.561) 20.267 7.738 ( -14.859 -3.140 -1.692) 15.281 8.395 ( 6.423 -5.009 9.809) 12.750 8.553 ( -8.368 -9.327 5.937) 13.866 8.715 ( 8.682 2.966 -12.567) 15.559 8.859 ( -3.981 -3.721 -19.633) 20.376 9.290 ( 12.576 2.357 4.081) 13.430 9.426 ( 13.838 -0.023 -8.639) 16.313 9.498 ( -4.071 -3.820 6.157) 8.311 9.712 ( -10.705 -2.962 -8.519) 13.998 10.173 ( 8.468 -3.524 13.501) 16.322 10.275 ( -4.592 -1.221 11.775) 12.698 10.383 ( 1.982 3.778 -0.979) 4.377 10.430 ( 4.892 -3.796 -2.640) 6.731 10.533 ( 1.334 2.382 3.802) 4.681 10.547 ( 0.539 -6.864 -0.583) 6.910 10.755 ( -5.055 1.773 0.663) 5.398 10.847 ( -8.592 -8.850 -5.703) 13.590 11.005 ( -1.931 -5.110 7.078) 8.941 11.045 ( -4.908 -6.334 1.264) 8.112 11.148 ( 0.079 -5.734 -5.332) 7.830 11.221 ( -5.841 -3.039 -6.982) 9.597 11.470 ( 3.788 3.119 5.258) 7.192 11.553 ( -1.375 -0.905 0.970) 1.910 11.621 ( -4.352 -3.813 -0.700) 5.829 11.658 ( -3.900 -4.885 -0.518) 6.273 11.832 ( 5.419 -5.527 0.357) 7.748 11.890 ( 4.009 0.161 -1.425) 4.258 12.084 ( -7.182 2.610 -4.792) 9.020 12.116 ( -8.366 0.937 -6.649) 10.727 12.493 ( 4.783 -0.161 4.123) 6.316 12.564 ( -0.967 1.954 5.906) 6.295 12.601 ( 6.312 -0.400 -3.957) 7.460 12.698 ( -2.746 1.101 -3.469) 4.559 13.193 ( 8.430 2.831 6.329) 10.915 13.285 ( 2.599 -4.566 3.739) 6.448 13.434 ( -0.873 5.404 -4.247) 6.929 13.535 ( -6.913 -2.326 -6.439) 9.729 13.753 ( 3.007 3.454 4.299) 6.281 13.888 ( -7.027 -2.114 10.704) 12.977 13.942 ( 6.056 1.805 -7.081) 9.491 14.132 ( -9.073 1.936 -6.605) 11.388 14.286 ( 4.432 0.015 6.013) 7.470 14.379 ( -4.750 -2.374 5.293) 7.498 14.422 ( 1.655 3.393 -4.934) 6.212 14.488 ( -3.936 0.728 -3.418) 5.263 15.367 ( 7.165 -3.093 4.009) 8.773 15.420 ( 1.101 4.698 0.572) 4.859 15.527 ( -3.507 5.460 -1.558) 6.673 15.582 ( -7.140 5.247 -5.949) 10.672 15.907 ( 12.465 -4.429 8.414) 15.678 16.126 ( 16.441 -6.498 -8.690) 19.699 16.222 ( -18.215 -7.945 12.814) 23.646 16.469 ( -17.718 -10.002 -7.793) 21.788 17.509 ( 6.943 10.750 2.159) 12.978 17.571 ( 4.512 12.619 -2.444) 13.623 17.594 ( -1.527 12.509 0.949) 12.637 17.625 ( -0.558 12.984 -1.106) 13.043 21.089 ( 22.189 -7.789 5.241) 24.094 21.217 ( 18.846 -8.025 -5.022) 21.090 21.500 ( -19.532 -8.942 2.686) 21.648 21.565 ( -16.965 -8.483 -2.538) 19.136 23.109 ( 2.953 15.861 2.370) 16.307 23.148 ( -0.236 15.379 1.929) 15.502 23.168 ( 2.209 16.294 -1.439) 16.506 23.214 ( -1.801 15.641 -2.470) 15.937 27.624 ( 0.942 7.432 0.185) 7.493 27.631 ( 1.593 7.855 -0.317) 8.021 27.646 ( -1.298 8.513 1.004) 8.670 27.668 ( -2.279 9.717 -0.843) 10.016 28.725 ( 10.083 4.662 1.828) 11.258 28.774 ( 9.256 6.022 -2.084) 11.237 28.925 ( -10.242 4.257 1.238) 11.160 28.957 ( -9.466 5.612 -1.351) 11.087 30.523 ( 6.944 -0.198 8.211) 10.756 30.574 ( 3.245 -2.134 12.353) 12.949 30.703 ( 10.199 0.450 -4.466) 11.143 30.890 ( -7.433 -3.259 -10.113) 12.967 31.206 ( 4.825 -7.290 4.279) 9.733 31.335 ( -7.832 -5.658 5.596) 11.165 31.363 ( 11.680 -6.378 -9.710) 16.474 31.587 ( -10.250 -6.507 -15.581) 19.753 34.172 ( 14.751 -2.107 13.548) 20.139 34.471 ( 19.634 -4.019 -9.138) 22.026 34.500 ( -16.921 -4.282 20.070) 26.598 34.947 ( -27.103 -6.869 -15.092) 31.773 ======================= Grid point 117 (41/60) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 0.000 25.778 27.174) 37.456 2.207 ( 0.000 41.289 10.574) 42.621 2.413 ( 0.000 22.350 -4.447) 22.788 2.475 ( 0.000 11.969 -8.709) 14.802 2.827 ( 0.000 18.458 -4.887) 19.094 2.901 ( 0.000 3.860 -8.017) 8.898 3.080 ( 0.000 45.499 35.271) 57.569 3.671 ( 0.000 15.520 -4.251) 16.092 3.772 ( 0.000 9.251 -9.561) 13.304 4.065 ( 0.000 22.496 -39.934) 45.835 4.174 ( 0.000 2.790 20.403) 20.593 4.598 ( 0.000 5.554 -11.378) 12.662 5.257 ( 0.000 13.626 8.403) 16.009 5.295 ( 0.000 4.547 6.746) 8.135 5.570 ( 0.000 37.370 -6.063) 37.858 5.596 ( 0.000 3.994 -6.271) 7.435 6.312 ( 0.000 -12.814 7.049) 14.625 6.609 ( 0.000 -14.133 5.841) 15.292 6.631 ( 0.000 0.879 -5.378) 5.450 6.707 ( 0.000 -14.319 9.167) 17.002 6.992 ( 0.000 -12.127 -14.543) 18.936 7.000 ( 0.000 -19.053 -15.981) 24.868 7.908 ( 0.000 -4.379 12.572) 13.313 7.996 ( 0.000 -21.904 2.207) 22.015 8.078 ( 0.000 -19.735 -4.288) 20.195 8.226 ( 0.000 -6.403 -9.001) 11.046 8.924 ( 0.000 -16.650 13.434) 21.394 8.965 ( 0.000 -6.124 24.615) 25.366 9.045 ( 0.000 -14.464 8.506) 16.780 9.303 ( 0.000 -18.543 9.846) 20.995 9.364 ( 0.000 -7.008 4.044) 8.091 9.662 ( 0.000 -12.505 -12.625) 17.770 9.701 ( 0.000 -18.257 -21.203) 27.980 9.746 ( 0.000 -4.388 -15.485) 16.095 10.286 ( 0.000 -2.560 5.553) 6.115 10.492 ( 0.000 0.961 -7.923) 7.981 10.787 ( 0.000 5.918 2.801) 6.547 10.796 ( 0.000 -0.528 14.255) 14.265 10.855 ( 0.000 6.821 -3.040) 7.467 10.973 ( 0.000 4.984 4.251) 6.551 11.104 ( 0.000 -6.462 -2.353) 6.877 11.106 ( 0.000 -4.325 -7.513) 8.669 11.114 ( 0.000 -4.929 -2.295) 5.438 11.165 ( 0.000 -10.788 -7.194) 12.967 11.449 ( 0.000 3.097 8.339) 8.896 11.528 ( 0.000 4.233 8.221) 9.247 11.661 ( 0.000 1.838 -8.316) 8.516 11.710 ( 0.000 -0.301 -5.931) 5.939 11.844 ( 0.000 -1.661 1.475) 2.222 11.881 ( 0.000 -3.257 -1.251) 3.489 12.221 ( 0.000 5.064 11.615) 12.671 12.448 ( 0.000 9.460 -5.355) 10.871 12.705 ( 0.000 2.667 2.224) 3.473 12.781 ( 0.000 5.868 -4.320) 7.287 12.785 ( 0.000 -9.328 8.486) 12.611 12.992 ( 0.000 -8.310 -8.602) 11.960 13.534 ( 0.000 2.388 4.892) 5.444 13.600 ( 0.000 1.570 1.646) 2.275 13.638 ( 0.000 -11.117 5.306) 12.319 13.720 ( 0.000 20.188 0.105) 20.188 13.792 ( 0.000 -9.779 -9.005) 13.293 13.864 ( 0.000 11.728 -7.724) 14.043 13.940 ( 0.000 -16.855 8.627) 18.935 14.128 ( 0.000 -11.497 -5.072) 12.566 14.152 ( 0.000 6.092 6.793) 9.125 14.277 ( 0.000 7.480 -3.798) 8.388 14.486 ( 0.000 -11.583 3.248) 12.029 14.552 ( 0.000 -6.536 -1.770) 6.772 15.393 ( 0.000 -1.589 3.657) 3.987 15.480 ( 0.000 -7.201 -3.348) 7.941 15.739 ( 0.000 17.749 5.929) 18.713 15.864 ( 0.000 13.934 -4.167) 14.544 16.380 ( 0.000 9.384 6.308) 11.307 16.564 ( 0.000 5.032 -8.470) 9.852 16.578 ( 0.000 -9.209 2.654) 9.583 16.642 ( 0.000 -10.351 -2.440) 10.634 17.107 ( 0.000 26.246 7.725) 27.359 17.354 ( 0.000 19.753 -13.117) 23.712 18.916 ( 0.000 -13.504 1.991) 13.650 18.965 ( 0.000 -14.106 -1.966) 14.242 19.186 ( 0.000 26.101 12.248) 28.832 19.348 ( 0.000 28.676 -2.079) 28.751 22.301 ( 0.000 -6.246 2.621) 6.774 22.371 ( 0.000 -6.034 -3.082) 6.775 22.690 ( 0.000 4.044 6.665) 7.796 22.940 ( 0.000 4.050 -13.594) 14.185 23.161 ( 0.000 14.036 3.526) 14.473 23.244 ( 0.000 14.601 -3.118) 14.931 27.766 ( 0.000 10.348 1.451) 10.450 27.813 ( 0.000 11.596 -2.520) 11.867 28.189 ( 0.000 8.105 1.093) 8.178 28.215 ( 0.000 7.822 -1.030) 7.889 28.663 ( 0.000 28.609 21.834) 35.989 29.353 ( 0.000 3.245 4.532) 5.574 29.432 ( 0.000 23.014 -45.412) 50.911 29.488 ( 0.000 5.671 -6.712) 8.788 29.643 ( 0.000 4.798 0.687) 4.847 29.660 ( 0.000 3.897 -0.681) 3.956 30.052 ( 0.000 6.678 6.494) 9.315 30.183 ( 0.000 8.656 -4.374) 9.699 30.705 ( 0.000 -9.245 6.091) 11.071 30.840 ( 0.000 -9.862 -3.227) 10.376 31.772 ( 0.000 -8.045 11.938) 14.396 32.113 ( 0.000 -6.492 -18.740) 19.833 33.583 ( 0.000 4.699 0.332) 4.711 33.591 ( 0.000 5.457 -0.322) 5.467 35.495 ( 0.000 -35.837 48.652) 60.426 36.281 ( 0.000 -38.768 -20.664) 43.931 ======================= Grid point 118 (42/60) ======================= q-point: ( 0.11 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 1.243 29.346 17.816) 34.353 2.251 ( 4.795 26.668 29.314) 39.919 2.480 ( 5.489 21.607 -11.324) 25.004 2.584 ( 11.589 14.814 2.129) 18.928 2.918 ( 9.605 18.292 -3.415) 20.941 2.999 ( 12.139 6.033 -15.191) 20.360 3.387 ( 21.428 33.665 18.239) 43.876 3.699 ( -0.999 10.149 -6.563) 12.127 3.775 ( 6.585 10.646 -5.201) 13.555 4.056 ( 3.309 25.662 -19.421) 32.352 4.402 ( 16.221 0.609 4.510) 16.847 4.646 ( 3.526 11.654 -6.246) 13.684 5.002 ( -19.765 22.841 9.338) 31.616 5.142 ( -14.158 -8.666 6.762) 17.924 5.354 ( -15.523 25.922 -8.354) 31.349 5.409 ( -12.495 4.053 -5.875) 14.390 6.547 ( -0.280 -14.575 7.055) 16.195 6.630 ( 16.167 -3.925 7.226) 18.138 6.754 ( 5.654 -1.628 -3.845) 7.029 6.828 ( 4.383 -17.129 -9.083) 19.877 6.946 ( 14.438 -1.448 -0.027) 14.510 7.206 ( 5.587 -16.288 -16.639) 23.945 7.861 ( -1.288 -10.444 12.473) 16.319 7.938 ( -3.895 -17.882 4.435) 18.831 8.128 ( 5.143 -9.318 -4.631) 11.607 8.309 ( 8.209 -9.309 -11.020) 16.598 8.774 ( -14.328 -24.272 12.695) 30.913 8.833 ( -10.124 -7.028 13.468) 18.256 9.021 ( -2.909 -0.844 15.589) 15.880 9.168 ( -10.332 -7.934 0.367) 13.032 9.407 ( 0.918 -14.864 6.921) 16.422 9.669 ( 3.280 -11.314 -18.688) 22.091 9.792 ( 5.456 -7.834 -7.484) 12.131 9.899 ( 11.476 -15.239 -10.685) 21.865 10.191 ( -7.387 -0.132 4.860) 8.844 10.354 ( -7.579 -1.178 -5.620) 9.509 10.657 ( -6.087 -3.574 9.975) 12.220 10.748 ( -7.599 2.389 0.135) 7.967 10.916 ( -1.491 -3.823 -0.516) 4.136 11.065 ( 0.797 -9.232 -6.820) 11.506 11.075 ( 1.131 -4.723 -0.915) 4.942 11.134 ( 9.626 6.711 -3.139) 12.147 11.178 ( 4.183 -4.890 1.065) 6.523 11.257 ( 6.184 -0.392 -3.588) 7.161 11.484 ( -1.494 2.908 7.358) 8.052 11.552 ( 7.350 2.275 10.561) 13.067 11.653 ( -2.680 -0.806 -5.672) 6.325 11.768 ( -3.984 -4.492 1.963) 6.317 11.786 ( 1.702 2.079 -4.016) 4.831 11.854 ( 0.590 -0.486 -3.632) 3.712 12.217 ( -1.947 4.798 6.616) 8.401 12.366 ( -9.113 9.306 -3.848) 13.581 12.645 ( -4.395 1.019 1.996) 4.933 12.712 ( -4.144 0.905 -0.660) 4.293 12.810 ( 0.616 -4.155 3.776) 5.648 12.937 ( -5.201 -5.101 -4.963) 8.815 13.330 ( -16.323 0.004 5.921) 17.364 13.481 ( -12.607 2.410 -3.356) 13.267 13.581 ( -4.800 -1.620 -2.099) 5.484 13.622 ( -0.464 -3.691 -3.522) 5.123 13.840 ( 2.536 9.514 3.178) 10.347 13.979 ( 4.933 3.431 -6.396) 8.776 14.008 ( 4.655 -6.883 5.833) 10.152 14.096 ( -0.159 -0.813 4.478) 4.554 14.226 ( 3.696 -2.821 -0.829) 4.723 14.292 ( 1.987 7.251 -3.463) 8.277 14.456 ( -1.978 -13.398 3.713) 14.043 14.530 ( -1.213 -7.767 -1.655) 8.033 15.392 ( 0.041 0.848 5.573) 5.637 15.509 ( 1.843 -5.230 -3.979) 6.825 15.794 ( 0.643 13.391 4.321) 14.086 15.912 ( 2.161 9.529 -4.746) 10.863 16.281 ( -10.180 7.645 2.236) 12.926 16.386 ( -13.902 2.964 -4.444) 14.893 16.518 ( -3.300 -1.007 3.450) 4.880 16.634 ( -0.245 -7.853 -4.336) 8.973 17.180 ( 6.075 21.771 8.219) 24.051 17.396 ( 5.382 17.045 -9.702) 20.338 18.511 ( -25.417 6.064 1.367) 26.166 18.528 ( -23.907 7.768 0.333) 25.140 19.617 ( 25.552 7.540 9.125) 28.161 19.773 ( 27.482 9.556 -3.659) 29.325 22.179 ( -9.735 -4.687 3.561) 11.376 22.288 ( -8.219 -4.527 -5.026) 10.644 22.885 ( 15.560 2.049 5.517) 16.636 23.074 ( 11.294 1.895 -9.867) 15.117 23.197 ( 3.520 14.122 3.343) 14.933 23.275 ( 3.025 14.701 -2.892) 15.285 27.766 ( 0.145 10.414 1.183) 10.482 27.808 ( -0.393 11.492 -2.395) 11.745 28.168 ( -4.738 11.338 2.937) 12.635 28.198 ( 0.275 8.782 -0.095) 8.787 28.637 ( -0.545 22.694 9.784) 24.720 28.893 ( -20.291 21.381 -8.795) 30.761 29.576 ( -5.253 5.034 0.190) 7.278 29.585 ( -1.578 5.015 -1.255) 5.405 29.676 ( 13.136 4.404 3.450) 14.278 29.957 ( 22.112 1.322 -21.500) 30.869 30.107 ( 6.965 5.499 4.164) 9.803 30.228 ( 4.605 7.604 -4.303) 9.876 30.767 ( 5.310 -9.329 3.851) 11.404 30.892 ( 4.704 -12.037 -4.681) 13.745 31.723 ( -4.838 -7.494 10.422) 13.718 32.030 ( -7.814 -5.796 -17.392) 19.928 33.632 ( 4.425 4.972 0.789) 6.702 33.654 ( 6.386 2.959 -0.958) 7.103 35.353 ( -13.248 -29.641 45.164) 55.622 36.116 ( -15.969 -34.579 -20.999) 43.493 ======================= Grid point 119 (43/60) ======================= q-point: ( 0.22 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( 5.664 18.578 16.759) 25.653 2.465 ( 16.956 13.168 23.173) 31.589 2.604 ( 7.914 14.908 -11.331) 20.329 2.915 ( 20.121 17.829 9.420) 28.486 3.148 ( 12.680 15.207 2.437) 19.949 3.311 ( 15.824 11.276 -18.653) 26.935 3.500 ( -4.732 5.996 -6.133) 9.796 3.871 ( 8.907 7.102 -9.476) 14.818 3.934 ( 6.093 13.298 -5.721) 15.706 4.129 ( 1.528 17.859 -7.977) 19.619 4.502 ( -10.885 24.262 18.503) 32.395 4.735 ( 14.442 3.976 6.616) 16.375 4.838 ( -8.306 7.174 1.306) 11.053 4.943 ( 7.735 -1.036 -4.202) 8.863 5.165 ( -3.528 19.711 -3.345) 20.302 5.239 ( 1.824 15.615 -7.178) 17.282 6.470 ( -8.193 -16.520 6.757) 19.639 6.642 ( -6.188 -6.537 -5.476) 10.536 6.881 ( 2.976 -9.012 6.214) 11.345 7.066 ( 8.535 -2.183 -5.839) 10.569 7.164 ( 0.900 -7.262 -2.124) 7.620 7.243 ( 9.119 -0.024 -6.338) 11.105 7.886 ( 2.670 -6.119 3.293) 7.444 8.016 ( 8.436 -8.411 3.644) 12.457 8.195 ( -1.437 -5.669 3.251) 6.691 8.467 ( -4.684 -14.220 1.516) 15.048 8.532 ( 4.779 -19.060 -5.884) 20.512 8.634 ( -7.401 -12.994 -1.238) 15.005 8.950 ( -2.543 -2.337 9.764) 10.356 8.992 ( -5.175 -0.132 10.482) 11.690 9.406 ( -0.273 -8.508 0.131) 8.513 9.686 ( -2.335 -2.280 -18.462) 18.748 9.867 ( 1.136 -3.575 5.712) 6.833 10.018 ( 3.334 -5.541 -0.663) 6.500 10.231 ( 10.094 -13.524 -2.960) 17.133 10.290 ( 0.912 -12.407 -3.565) 12.942 10.522 ( -7.205 -4.954 8.484) 12.183 10.623 ( -5.180 -0.844 -2.484) 5.807 10.848 ( -4.136 -7.375 1.608) 8.607 10.936 ( -6.921 -8.881 -4.584) 12.157 11.161 ( -1.268 -6.183 3.707) 7.320 11.246 ( 2.476 -6.295 0.731) 6.804 11.295 ( 3.939 2.647 -3.299) 5.780 11.362 ( 3.415 -2.906 -4.394) 6.278 11.436 ( -1.495 6.660 6.002) 9.089 11.555 ( -3.952 1.265 -1.455) 4.398 11.630 ( -6.344 -0.253 0.182) 6.352 11.687 ( -8.297 -4.619 -3.130) 9.999 11.777 ( 11.191 -0.403 10.929) 15.647 11.988 ( -0.724 -0.062 -4.172) 4.235 12.095 ( -14.693 3.730 -1.214) 15.208 12.104 ( -3.643 3.429 -3.483) 6.096 12.605 ( -0.224 1.979 2.373) 3.098 12.667 ( 0.597 1.673 -0.761) 1.933 12.788 ( -7.711 0.698 1.041) 7.812 12.826 ( -2.854 -5.044 -1.741) 6.051 13.056 ( -8.459 2.194 8.445) 12.152 13.262 ( -7.048 6.967 -7.654) 12.522 13.501 ( -3.516 -7.293 0.709) 8.127 13.611 ( -1.024 -7.021 -7.581) 10.384 13.852 ( -1.076 11.185 5.768) 12.631 14.001 ( -2.152 7.675 -4.280) 9.047 14.095 ( 3.665 2.246 3.236) 5.380 14.152 ( 4.493 -1.756 4.919) 6.890 14.243 ( -0.555 -2.732 1.691) 3.261 14.376 ( 5.167 1.080 -1.933) 5.622 14.418 ( -1.854 -11.548 2.189) 11.899 14.531 ( 0.882 -8.676 -2.603) 9.101 15.367 ( -5.043 5.225 5.441) 9.074 15.515 ( -2.091 -0.783 -6.011) 6.412 15.681 ( -6.192 5.649 6.086) 10.358 15.846 ( -7.362 4.582 -6.501) 10.838 16.057 ( -11.151 6.511 0.989) 12.951 16.148 ( -9.805 8.374 -6.201) 14.307 16.502 ( -0.923 -2.657 7.372) 7.890 16.625 ( -2.295 -10.797 -2.755) 11.377 17.349 ( 11.436 17.904 7.675) 22.588 17.547 ( 8.974 14.777 -8.283) 19.171 18.112 ( -14.001 13.575 1.915) 19.595 18.152 ( -13.816 14.031 -1.345) 19.737 20.105 ( 24.258 4.165 8.412) 26.011 20.285 ( 24.343 3.104 -5.954) 25.252 21.962 ( -12.279 -3.790 3.738) 13.383 22.067 ( -13.837 -3.606 -4.620) 15.027 23.180 ( 13.051 3.738 3.717) 14.076 23.273 ( 6.208 11.252 0.246) 12.853 23.308 ( 8.863 5.924 -2.703) 10.998 23.353 ( 4.585 14.749 -2.396) 15.630 27.775 ( 0.781 10.661 0.612) 10.707 27.803 ( -0.080 11.342 -1.889) 11.498 28.054 ( -6.023 14.716 5.244) 16.744 28.157 ( -5.050 12.954 -3.207) 14.268 28.664 ( -2.794 17.285 0.583) 17.519 28.679 ( 4.471 15.490 -0.587) 16.133 29.434 ( -8.632 6.805 1.386) 11.079 29.468 ( -7.832 7.830 -1.323) 11.153 30.015 ( 17.608 -0.721 9.623) 20.079 30.196 ( 8.487 2.429 2.950) 9.308 30.361 ( 8.871 5.326 -3.473) 10.914 30.408 ( 17.275 -5.281 -13.835) 22.754 30.877 ( 5.452 -9.487 1.343) 11.024 30.978 ( 2.995 -14.160 -5.801) 15.592 31.593 ( -8.194 -6.526 7.342) 12.792 31.841 ( -10.710 -5.581 -15.360) 19.539 33.748 ( 7.163 2.801 2.899) 8.219 33.821 ( 10.366 0.395 -2.967) 10.790 35.037 ( -17.714 -19.301 36.385) 44.835 35.709 ( -24.116 -25.801 -20.254) 40.713 ======================= Grid point 120 (44/60) ======================= q-point: ( 0.33 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 10.403 8.783 14.594) 19.959 2.738 ( 9.183 6.772 -21.819) 24.622 2.890 ( 19.442 4.593 26.475) 33.166 3.217 ( 2.551 15.309 1.980) 15.646 3.234 ( -13.856 8.772 -1.961) 16.516 3.421 ( 17.465 7.795 12.954) 23.099 3.624 ( 10.580 3.499 -19.895) 22.803 3.895 ( -6.212 -0.530 5.851) 8.551 4.009 ( 5.595 10.106 -12.563) 17.066 4.099 ( -1.988 1.645 -9.074) 9.434 4.404 ( 3.882 17.079 8.621) 19.522 4.728 ( -3.023 14.967 -10.598) 18.586 4.987 ( 8.714 0.228 8.638) 12.272 5.156 ( 8.649 5.438 -5.008) 11.378 5.297 ( 13.627 27.770 3.824) 31.169 5.403 ( 8.117 26.153 -4.664) 27.778 6.311 ( -2.560 -18.286 9.327) 20.686 6.517 ( -2.714 -8.252 -6.220) 10.684 6.901 ( -0.799 5.155 4.559) 6.928 7.032 ( -2.417 0.236 -5.275) 5.807 7.251 ( -2.569 0.723 7.741) 8.188 7.353 ( 3.188 0.067 -1.651) 3.591 7.768 ( -17.306 -15.672 6.119) 24.136 7.924 ( -11.459 -4.816 -7.066) 14.298 8.269 ( 5.204 -2.177 11.757) 13.040 8.480 ( 2.234 -3.378 1.691) 4.388 8.512 ( 4.457 -11.428 -4.363) 13.020 8.719 ( 4.894 -10.176 -20.233) 23.170 8.990 ( 8.843 -4.921 5.099) 11.332 9.058 ( 10.185 -6.548 6.592) 13.786 9.416 ( 1.522 -5.284 1.650) 5.741 9.651 ( -0.081 -4.239 -11.645) 12.392 9.928 ( 5.583 -1.467 6.670) 8.821 10.073 ( 1.777 -5.464 -0.801) 5.801 10.274 ( -2.366 -15.696 8.336) 17.929 10.428 ( 7.281 -8.509 -4.085) 11.921 10.456 ( 0.559 -5.133 -2.006) 5.539 10.518 ( -5.299 -3.103 -5.626) 8.328 10.756 ( -4.148 -6.326 5.511) 9.359 10.832 ( -3.401 -6.261 -0.279) 7.131 11.078 ( -6.137 -6.434 4.667) 10.042 11.188 ( -12.674 1.336 8.447) 15.289 11.210 ( -7.178 -9.758 -4.063) 12.777 11.295 ( -8.951 -3.943 -0.284) 9.785 11.433 ( -1.141 -9.935 -0.695) 10.025 11.477 ( -8.511 -4.169 -2.314) 9.756 11.573 ( 0.055 -0.155 2.168) 2.174 11.617 ( 2.759 5.322 1.204) 6.114 11.725 ( -13.287 -3.265 -2.342) 13.881 11.822 ( -0.046 5.112 -10.273) 11.475 12.047 ( 7.040 -3.584 6.549) 10.261 12.204 ( 2.245 -3.394 -6.011) 7.259 12.569 ( -3.559 1.978 3.851) 5.604 12.618 ( -5.542 5.118 0.170) 7.546 12.705 ( -5.556 2.631 -1.580) 6.347 12.723 ( 1.917 3.170 -1.201) 3.894 13.075 ( 7.033 -1.132 8.732) 11.269 13.233 ( 3.115 7.799 -4.978) 9.763 13.457 ( -0.680 -5.595 1.675) 5.880 13.601 ( -0.047 -2.021 -10.437) 10.631 13.794 ( -4.053 2.059 5.807) 7.375 13.925 ( -5.298 4.060 -5.576) 8.697 14.084 ( -5.531 2.159 6.684) 8.940 14.201 ( -1.256 -1.074 -0.561) 1.745 14.260 ( 3.065 -1.938 9.971) 10.610 14.412 ( 2.522 -0.676 0.349) 2.634 14.467 ( 2.628 0.385 -5.170) 5.813 14.509 ( -3.865 -6.130 -5.063) 8.840 15.215 ( -4.100 4.120 9.965) 11.536 15.475 ( -0.612 -0.488 -11.069) 11.097 15.687 ( 0.415 -1.174 1.866) 2.243 15.726 ( -3.678 -2.132 -0.291) 4.262 15.870 ( -5.994 9.502 2.700) 11.554 15.994 ( -4.283 8.404 -6.558) 11.488 16.382 ( -10.972 -3.717 8.515) 14.377 16.516 ( -8.879 -8.679 -2.970) 12.766 17.593 ( 12.150 15.558 4.356) 20.216 17.721 ( 8.350 14.242 -6.037) 17.578 17.956 ( -3.468 14.806 1.461) 15.276 17.980 ( -4.769 15.897 -0.686) 16.611 20.564 ( 22.536 1.728 6.693) 23.572 20.724 ( 20.646 0.048 -6.125) 21.535 21.698 ( -14.802 -3.267 2.647) 15.388 21.764 ( -16.618 -3.216 -2.666) 17.135 23.371 ( 5.743 11.695 2.326) 13.235 23.376 ( 5.493 11.045 2.134) 12.519 23.441 ( 4.102 14.127 -1.812) 14.821 23.452 ( 5.148 7.191 -2.709) 9.250 27.799 ( 1.769 11.201 -0.000) 11.340 27.809 ( 0.793 11.407 -0.950) 11.474 27.950 ( -4.493 14.237 3.902) 15.431 28.034 ( -6.424 15.025 -3.024) 16.618 28.717 ( 6.418 11.575 3.273) 13.634 28.798 ( 7.228 12.142 -3.219) 14.493 29.252 ( -9.727 7.870 1.972) 12.667 29.301 ( -8.976 9.341 -1.900) 13.094 30.318 ( 12.920 -3.827 9.710) 16.609 30.368 ( 8.833 1.081 4.930) 10.173 30.552 ( 9.696 2.864 -1.522) 10.224 30.689 ( 10.606 -10.068 -9.686) 17.540 30.970 ( 2.080 -10.333 -1.079) 10.596 31.014 ( 4.115 -11.310 -3.608) 12.564 31.409 ( -10.307 -5.771 5.437) 13.004 31.629 ( -10.846 -7.556 -14.141) 19.357 33.910 ( 9.378 0.167 6.172) 11.227 34.056 ( 13.725 -2.539 -5.564) 15.026 34.692 ( -17.078 -11.702 26.255) 33.435 35.219 ( -25.015 -17.429 -17.224) 35.017 ======================= Grid point 121 (45/60) ======================= q-point: ( 0.44 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( 14.726 6.220 11.582) 19.740 2.845 ( -16.029 7.045 6.505) 18.678 2.915 ( 6.048 5.056 -17.093) 18.823 3.069 ( -6.189 5.946 -8.717) 12.233 3.339 ( 14.426 -0.224 17.378) 22.586 3.621 ( -10.166 -7.030 15.268) 19.644 3.749 ( 4.586 1.237 -8.791) 9.993 3.855 ( -0.314 -1.563 -3.364) 3.723 4.018 ( 16.243 7.517 5.941) 18.858 4.321 ( 11.694 9.937 -9.239) 17.912 4.448 ( -5.721 2.518 -5.111) 8.074 4.645 ( -8.434 12.700 -11.921) 19.353 5.115 ( 10.090 5.198 7.634) 13.679 5.291 ( 7.868 19.001 -6.532) 21.578 5.375 ( -7.729 21.420 1.922) 22.852 5.465 ( -2.314 26.754 -4.002) 27.151 6.489 ( 18.048 -8.181 7.456) 21.172 6.632 ( 13.244 1.030 -2.298) 13.481 6.822 ( -10.202 4.014 4.415) 11.819 6.929 ( -13.370 5.089 -3.791) 14.799 7.191 ( 5.448 -1.994 13.782) 14.953 7.368 ( -4.388 -10.203 3.947) 11.787 7.460 ( -5.845 -1.377 2.193) 6.393 7.636 ( -15.713 -7.413 -7.411) 18.888 8.356 ( 4.637 1.563 9.336) 10.540 8.440 ( -3.564 -1.265 6.702) 7.696 8.693 ( 7.679 -6.351 -14.239) 17.380 8.768 ( -0.104 -4.403 -20.615) 21.080 9.238 ( 12.838 -12.265 3.097) 18.023 9.284 ( 10.906 -7.190 4.474) 13.807 9.439 ( -0.092 -4.831 0.161) 4.834 9.580 ( -9.538 -7.828 -6.672) 14.028 10.074 ( 8.091 -5.392 4.797) 10.842 10.125 ( 4.456 -11.627 2.054) 12.620 10.259 ( -0.309 -9.344 1.511) 9.471 10.365 ( -8.637 -11.710 -7.205) 16.237 10.484 ( 5.034 2.839 3.931) 6.990 10.589 ( 8.948 0.590 -1.846) 9.155 10.691 ( -6.847 -0.970 7.983) 10.561 10.794 ( -4.228 -2.068 2.437) 5.300 10.898 ( -5.863 -5.720 5.965) 10.133 10.970 ( -7.668 -6.372 -2.863) 10.372 11.022 ( -6.568 -4.254 0.334) 7.832 11.091 ( -9.144 -9.721 -3.509) 13.799 11.390 ( 0.327 -10.856 3.557) 11.429 11.421 ( -1.399 -11.375 3.406) 11.956 11.497 ( -3.157 -3.611 -0.374) 4.811 11.519 ( -4.885 -3.928 -0.410) 6.281 11.816 ( 12.455 3.371 -1.512) 12.991 11.942 ( 7.915 2.521 -9.739) 12.800 12.069 ( -8.045 -3.714 -2.633) 9.244 12.102 ( -7.355 -1.127 -4.477) 8.684 12.541 ( 1.400 3.429 5.242) 6.418 12.584 ( -1.343 1.077 7.333) 7.533 12.669 ( 2.924 4.895 -3.483) 6.681 12.734 ( -1.796 2.883 -3.482) 4.864 13.242 ( 8.795 1.665 7.804) 11.875 13.315 ( 2.929 6.850 2.273) 7.789 13.462 ( 0.538 -1.865 -1.236) 2.301 13.534 ( -6.812 1.359 -5.656) 8.958 13.785 ( 2.843 -2.781 1.315) 4.189 13.852 ( -1.398 1.341 0.142) 1.942 13.951 ( -2.901 -2.104 -2.314) 4.265 14.086 ( -10.056 -4.445 -6.729) 12.890 14.326 ( 3.270 2.552 9.151) 10.047 14.391 ( -3.994 2.338 5.038) 6.841 14.483 ( 2.989 1.822 -4.047) 5.351 14.512 ( 0.239 1.971 -4.987) 5.368 15.286 ( 9.393 -3.742 8.712) 13.346 15.499 ( -5.183 0.914 -0.487) 5.286 15.527 ( -2.223 -6.482 -5.155) 8.575 15.643 ( -7.478 -2.166 -6.639) 10.232 15.932 ( 8.726 7.847 6.144) 13.247 16.052 ( 8.882 1.972 -3.107) 9.614 16.143 ( -11.434 2.073 7.707) 13.944 16.293 ( -12.898 -3.900 -4.381) 14.169 17.791 ( 7.737 14.638 2.290) 16.715 17.857 ( 5.132 13.937 -2.991) 15.150 17.899 ( -3.562 14.731 1.009) 15.189 17.925 ( -2.060 14.596 -0.886) 14.767 20.987 ( 20.707 -0.516 4.553) 21.208 21.100 ( 17.938 -1.692 -4.477) 18.565 21.373 ( -18.423 -2.268 2.614) 18.745 21.436 ( -16.677 -2.677 -2.501) 17.074 23.443 ( 2.331 13.854 2.268) 14.231 23.453 ( 1.568 11.823 2.099) 12.109 23.501 ( 1.868 13.434 -2.037) 13.715 23.511 ( 1.017 10.940 -2.185) 11.202 27.832 ( 1.771 11.830 0.428) 11.970 27.848 ( 3.080 12.239 -0.766) 12.644 27.878 ( -2.929 12.853 2.023) 13.337 27.924 ( -4.708 13.728 -1.749) 14.618 28.873 ( 9.057 9.409 3.080) 13.418 28.953 ( 8.428 10.786 -3.284) 14.076 29.060 ( -9.820 8.525 2.501) 13.242 29.124 ( -8.984 10.114 -2.633) 13.782 30.506 ( 5.716 -3.340 8.957) 11.138 30.516 ( 4.958 -1.788 8.455) 9.963 30.697 ( 4.923 -2.314 -3.954) 6.725 30.775 ( -1.956 -7.527 -7.918) 11.098 31.018 ( 6.564 -9.226 4.892) 12.334 31.183 ( 8.563 -9.656 -7.380) 14.867 31.203 ( -7.998 -6.501 3.215) 10.797 31.412 ( -11.435 -9.632 -12.461) 19.463 34.118 ( 11.942 -2.859 10.879) 16.406 34.360 ( 12.537 -6.257 -4.257) 14.644 34.383 ( -9.486 -6.508 12.814) 17.220 34.755 ( -22.064 -10.956 -13.035) 27.871 ======================= Grid point 126 (46/60) ======================= q-point: ( 0.00 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( 0.000 19.143 17.839) 26.166 2.747 ( 0.000 18.382 1.680) 18.459 2.761 ( 0.000 13.191 2.507) 13.427 2.912 ( 0.000 14.746 -8.646) 17.094 3.092 ( 0.000 23.955 6.000) 24.695 3.310 ( 0.000 23.873 -10.581) 26.113 3.579 ( 0.000 2.858 -5.471) 6.172 3.787 ( 0.000 -3.855 -22.430) 22.759 4.155 ( 0.000 27.583 20.611) 34.433 4.241 ( 0.000 3.608 22.755) 23.039 4.561 ( 0.000 11.176 -5.556) 12.481 4.719 ( 0.000 5.325 -13.895) 14.880 5.112 ( 0.000 -1.683 12.353) 12.467 5.448 ( 0.000 9.344 -16.153) 18.661 5.832 ( 0.000 -26.431 17.679) 31.799 6.161 ( 0.000 23.425 5.306) 24.019 6.299 ( 0.000 -17.479 -3.343) 17.796 6.382 ( 0.000 30.075 -10.443) 31.837 6.482 ( 0.000 -16.965 -6.537) 18.181 6.496 ( 0.000 4.690 12.005) 12.889 6.745 ( 0.000 -7.370 -13.721) 15.575 6.849 ( 0.000 0.570 -17.736) 17.745 7.638 ( 0.000 -8.746 6.751) 11.048 7.803 ( 0.000 -5.142 8.849) 10.235 7.845 ( 0.000 -0.945 -9.266) 9.314 8.097 ( 0.000 -4.290 -13.942) 14.588 8.336 ( 0.000 -29.928 19.261) 35.590 8.731 ( 0.000 -24.319 -13.449) 27.790 8.777 ( 0.000 -7.211 26.343) 27.312 9.001 ( 0.000 -9.774 12.160) 15.601 9.205 ( 0.000 -5.258 9.133) 10.539 9.454 ( 0.000 -6.994 -13.200) 14.938 9.486 ( 0.000 0.324 -4.778) 4.789 9.783 ( 0.000 2.840 -20.097) 20.296 10.249 ( 0.000 -0.274 15.869) 15.872 10.459 ( 0.000 -3.438 6.493) 7.347 10.764 ( 0.000 -4.938 -7.259) 8.780 10.814 ( 0.000 -8.108 6.839) 10.608 10.854 ( 0.000 -8.558 3.745) 9.342 10.870 ( 0.000 -10.474 -7.187) 12.702 10.995 ( 0.000 -0.607 -3.750) 3.799 11.025 ( 0.000 1.560 -5.383) 5.604 11.082 ( 0.000 7.155 6.978) 9.994 11.291 ( 0.000 8.474 -8.372) 11.912 11.514 ( 0.000 3.029 3.255) 4.446 11.616 ( 0.000 1.643 5.267) 5.517 11.657 ( 0.000 -2.919 1.631) 3.343 11.669 ( 0.000 0.465 -9.753) 9.764 11.802 ( 0.000 -3.341 -0.289) 3.353 11.878 ( 0.000 6.295 -6.368) 8.954 12.336 ( 0.000 5.660 17.700) 18.583 12.621 ( 0.000 0.239 0.653) 0.695 12.645 ( 0.000 1.492 2.537) 2.943 12.719 ( 0.000 -0.470 4.243) 4.269 12.833 ( 0.000 -0.534 -5.756) 5.781 12.910 ( 0.000 -1.073 -14.772) 14.811 13.352 ( 0.000 -17.490 5.468) 18.324 13.450 ( 0.000 -10.174 2.357) 10.443 13.515 ( 0.000 -7.603 -1.392) 7.730 13.562 ( 0.000 -13.051 -11.685) 17.517 13.672 ( 0.000 -6.563 11.321) 13.086 13.900 ( 0.000 0.846 4.408) 4.488 13.913 ( 0.000 -7.801 -8.348) 11.425 14.013 ( 0.000 2.278 -3.237) 3.958 14.279 ( 0.000 -7.070 8.428) 11.001 14.330 ( 0.000 3.734 1.054) 3.880 14.363 ( 0.000 1.781 -0.794) 1.950 14.407 ( 0.000 -6.652 -2.829) 7.229 15.458 ( 0.000 6.712 3.966) 7.796 15.555 ( 0.000 15.274 -3.734) 15.724 16.042 ( 0.000 10.086 3.797) 10.777 16.134 ( 0.000 10.570 -3.526) 11.143 16.433 ( 0.000 -3.855 0.862) 3.950 16.453 ( 0.000 -6.440 -0.706) 6.479 16.510 ( 0.000 3.010 2.844) 4.141 16.584 ( 0.000 -2.210 -3.003) 3.729 17.612 ( 0.000 21.460 4.468) 21.920 17.737 ( 0.000 17.435 -5.571) 18.304 18.665 ( 0.000 -10.630 1.623) 10.753 18.706 ( 0.000 -10.544 -1.633) 10.670 19.845 ( 0.000 34.858 8.257) 35.822 20.010 ( 0.000 33.663 -5.068) 34.042 22.100 ( 0.000 -13.262 2.936) 13.583 22.176 ( 0.000 -12.912 -3.188) 13.300 22.855 ( 0.000 11.167 6.879) 13.116 23.063 ( 0.000 7.502 -9.778) 12.324 23.396 ( 0.000 7.708 3.531) 8.478 23.482 ( 0.000 7.262 -3.356) 8.000 27.994 ( 0.000 10.987 2.003) 11.168 28.058 ( 0.000 11.269 -3.339) 11.754 28.343 ( 0.000 5.933 0.587) 5.962 28.357 ( 0.000 5.064 -0.532) 5.092 29.141 ( 0.000 17.504 19.811) 26.436 29.448 ( 0.000 5.921 5.762) 8.262 29.616 ( 0.000 4.710 -7.737) 9.058 29.715 ( 0.000 6.518 -27.735) 28.491 29.740 ( 0.000 5.436 -0.091) 5.436 29.755 ( 0.000 5.807 -0.999) 5.893 30.255 ( 0.000 12.717 8.808) 15.469 30.430 ( 0.000 14.757 -5.850) 15.874 30.494 ( 0.000 -10.724 5.809) 12.196 30.634 ( 0.000 -9.936 -4.974) 11.111 31.558 ( 0.000 -12.362 12.600) 17.651 31.899 ( 0.000 -13.519 -16.515) 21.343 33.699 ( 0.000 6.877 2.312) 7.255 33.755 ( 0.000 10.039 -2.221) 10.281 34.889 ( 0.000 -23.940 32.365) 40.257 35.518 ( 0.000 -33.731 -19.868) 39.147 ======================= Grid point 127 (47/60) ======================= q-point: ( 0.11 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( 1.601 22.263 13.139) 25.901 2.754 ( -3.804 18.395 5.513) 19.577 2.798 ( 7.081 7.896 -0.043) 10.606 2.980 ( 3.411 21.489 5.977) 22.564 3.065 ( 5.240 7.196 -4.701) 10.067 3.428 ( 12.599 26.429 -7.549) 30.236 3.660 ( -0.546 0.679 -9.687) 9.726 3.783 ( 5.817 2.230 -16.018) 17.187 4.135 ( -0.312 9.309 12.208) 15.356 4.412 ( 5.684 2.753 14.870) 16.156 4.477 ( -2.577 4.636 -4.686) 7.078 4.772 ( 1.170 -4.587 -7.186) 8.605 5.093 ( 5.301 16.106 14.502) 22.311 5.433 ( -2.705 24.043 -13.075) 27.501 5.673 ( -18.056 17.635 12.049) 27.968 5.961 ( -19.067 11.387 -7.032) 23.295 6.144 ( 12.602 -18.408 8.311) 23.806 6.416 ( -1.244 -10.628 1.006) 10.748 6.516 ( 3.736 -11.406 -3.831) 12.599 6.836 ( 12.521 -10.970 -10.787) 19.836 6.903 ( 11.308 9.306 -10.413) 17.969 6.992 ( 15.752 3.210 -8.762) 18.309 7.696 ( 5.504 -3.479 4.876) 8.135 7.718 ( 0.659 -3.278 11.155) 11.645 8.016 ( 9.868 -1.680 -8.073) 12.860 8.140 ( 3.390 -5.679 -15.250) 16.622 8.210 ( -10.292 -24.874 18.292) 32.546 8.550 ( -11.795 -18.871 -6.420) 23.162 8.905 ( 6.542 -10.035 16.371) 20.286 9.030 ( 0.120 -5.737 8.929) 10.614 9.184 ( 0.150 -4.058 14.959) 15.501 9.454 ( 1.911 -6.648 -10.482) 12.559 9.616 ( 10.290 -6.764 -7.048) 14.188 9.789 ( 0.754 1.893 -16.253) 16.380 10.190 ( -5.423 -0.273 11.432) 12.656 10.335 ( -10.952 -1.276 1.533) 11.132 10.669 ( -6.830 -0.939 6.319) 9.352 10.745 ( -9.165 -1.952 4.026) 10.199 10.788 ( -6.055 -8.735 0.483) 10.639 10.819 ( -5.809 -8.899 -6.699) 12.562 10.922 ( 1.663 -10.843 -2.371) 11.223 11.062 ( 3.025 -0.714 -8.227) 8.794 11.215 ( 4.087 -2.091 2.347) 5.156 11.318 ( 1.201 2.999 -7.449) 8.119 11.541 ( 1.761 1.590 3.709) 4.403 11.637 ( 0.428 3.759 3.753) 5.329 11.656 ( 0.290 -1.789 1.845) 2.586 11.667 ( -0.139 0.363 -2.282) 2.315 11.757 ( -4.096 -3.101 1.850) 5.460 11.900 ( 3.808 4.455 -7.954) 9.879 12.330 ( -2.102 5.988 14.410) 15.746 12.543 ( -13.300 2.482 -1.537) 13.617 12.612 ( -0.953 0.423 0.110) 1.049 12.643 ( -3.570 -2.757 0.444) 4.533 12.800 ( 0.079 0.151 -1.563) 1.572 12.941 ( 0.032 2.528 -10.690) 10.985 13.207 ( -10.195 -10.497 7.228) 16.321 13.403 ( -5.268 -8.787 2.030) 10.444 13.454 ( -2.334 -10.090 -5.392) 11.676 13.484 ( -8.025 -5.093 -7.050) 11.834 13.763 ( 6.698 -6.581 7.120) 11.784 13.882 ( 4.084 -9.302 -2.133) 10.381 14.048 ( 5.311 0.724 -1.523) 5.572 14.064 ( 5.110 -3.222 -1.298) 6.179 14.202 ( -4.854 -3.402 9.961) 11.591 14.370 ( -1.017 -3.982 -4.473) 6.074 14.384 ( 2.041 3.700 1.344) 4.434 14.427 ( 3.863 0.575 -1.373) 4.140 15.466 ( 0.244 3.695 3.532) 5.117 15.538 ( -1.367 12.961 -2.036) 13.191 16.050 ( -2.211 9.287 1.776) 9.710 16.110 ( -4.822 6.546 -3.340) 8.790 16.299 ( -10.214 -0.664 3.680) 10.877 16.386 ( -6.329 -2.802 -3.447) 7.732 16.505 ( 0.156 1.070 1.974) 2.251 16.552 ( -2.916 -1.557 -1.740) 3.736 17.635 ( 2.447 20.197 4.797) 20.902 17.758 ( 3.229 17.150 -5.055) 18.169 18.524 ( -11.751 -3.499 1.644) 12.371 18.565 ( -11.407 -2.816 -1.610) 11.859 20.021 ( 15.499 28.122 7.191) 32.905 20.175 ( 14.709 26.637 -5.133) 30.859 22.048 ( -5.229 -9.395 3.653) 11.356 22.145 ( -4.137 -10.188 -4.037) 11.713 22.970 ( 10.953 6.964 5.708) 14.179 23.139 ( 7.488 4.759 -7.778) 11.798 23.430 ( 3.289 7.443 3.374) 8.809 23.511 ( 2.827 7.030 -3.120) 8.195 27.997 ( 0.352 11.109 1.649) 11.237 28.053 ( -0.401 11.355 -3.119) 11.782 28.347 ( -1.021 6.026 1.045) 6.200 28.357 ( 0.893 5.874 0.079) 5.942 29.067 ( -4.841 17.805 10.710) 21.334 29.247 ( -13.868 13.951 -2.536) 19.834 29.638 ( 0.307 1.685 -0.041) 1.714 29.704 ( -2.143 4.992 -2.774) 6.100 29.799 ( 8.182 6.828 1.263) 10.731 29.972 ( 13.893 -0.042 -14.462) 20.054 30.262 ( 1.369 9.384 8.517) 12.747 30.437 ( 1.476 11.227 -5.877) 12.758 30.563 ( 5.759 -8.561 2.678) 10.660 30.661 ( 2.513 -9.613 -4.221) 10.796 31.523 ( -3.525 -11.580 11.373) 16.610 31.834 ( -6.326 -12.519 -15.232) 20.706 33.739 ( 4.009 5.604 1.500) 7.052 33.778 ( 2.217 8.923 -1.550) 9.324 34.824 ( -6.364 -21.776 30.265) 37.824 35.422 ( -9.524 -31.220 -19.154) 37.846 ======================= Grid point 128 (48/60) ======================= q-point: ( 0.22 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( -4.868 21.173 12.327) 24.979 2.757 ( 8.438 13.466 16.888) 23.189 2.891 ( 1.342 11.466 -13.439) 17.716 3.206 ( 17.741 5.183 -0.293) 18.485 3.236 ( 10.219 3.127 -2.009) 10.874 3.582 ( -5.272 1.121 -10.287) 11.613 3.703 ( 10.059 21.976 0.176) 24.169 3.932 ( 6.036 4.822 -14.189) 16.156 4.036 ( -8.276 -4.532 8.870) 12.950 4.300 ( -8.531 2.626 -8.304) 12.192 4.614 ( 8.703 -3.236 10.290) 13.860 4.790 ( 1.604 -6.166 -0.848) 6.427 5.070 ( -15.592 19.103 13.225) 27.981 5.322 ( 4.160 23.017 -5.698) 24.074 5.709 ( 12.794 30.256 4.980) 33.225 5.871 ( 15.226 32.470 -4.016) 36.087 6.126 ( -8.765 -10.905 6.825) 15.567 6.410 ( -7.267 -12.205 -16.276) 21.603 6.714 ( 18.229 -10.481 9.245) 22.970 6.963 ( 5.789 -8.856 -9.207) 14.026 7.197 ( 12.454 6.661 -1.902) 14.251 7.239 ( 9.040 0.585 -3.605) 9.750 7.699 ( -6.516 -9.725 9.500) 15.076 7.876 ( 8.755 -10.566 10.788) 17.455 7.996 ( -9.480 -5.199 -3.570) 11.387 8.181 ( 6.870 -9.410 0.076) 11.651 8.259 ( 9.230 -8.243 -13.285) 18.156 8.417 ( 2.200 -3.759 -11.643) 12.431 8.904 ( -5.729 -0.504 10.119) 11.639 9.036 ( 1.015 -1.936 7.691) 7.996 9.227 ( 2.709 -5.617 16.752) 17.875 9.538 ( 5.731 -9.508 -9.127) 14.372 9.822 ( 3.215 -0.637 -6.578) 7.349 9.848 ( 12.160 -11.590 -4.948) 17.513 10.070 ( -6.260 -0.237 4.450) 7.684 10.101 ( -10.430 -3.551 0.035) 11.017 10.529 ( -6.464 3.266 8.480) 11.152 10.588 ( -7.047 -5.179 -0.061) 8.745 10.659 ( -5.510 -10.277 -1.431) 11.749 10.715 ( -4.733 -11.217 -5.362) 13.303 10.921 ( -3.085 -14.877 2.695) 15.431 11.050 ( -4.428 -6.624 -6.358) 10.194 11.219 ( -3.816 -6.548 1.963) 7.829 11.298 ( -2.739 -6.067 -5.615) 8.709 11.486 ( -8.799 -1.382 6.432) 10.986 11.573 ( -5.843 -5.688 -1.338) 8.263 11.611 ( -2.002 2.257 3.240) 4.427 11.706 ( 1.196 4.090 -3.414) 5.460 11.791 ( 6.279 1.670 7.248) 9.734 11.991 ( 3.455 -0.794 -7.424) 8.227 12.153 ( -14.765 4.441 3.619) 15.838 12.244 ( -13.770 4.624 -5.285) 15.457 12.592 ( -1.025 -2.682 4.352) 5.214 12.634 ( 2.877 1.114 1.438) 3.404 12.823 ( -0.316 2.902 -1.965) 3.519 12.906 ( -2.724 6.291 -6.991) 9.792 13.046 ( -3.961 -2.192 11.920) 12.751 13.329 ( -2.833 -3.343 2.339) 4.967 13.350 ( -2.357 -2.210 -10.521) 11.006 13.441 ( 0.812 -8.424 -6.742) 10.820 13.846 ( 0.562 -6.372 6.402) 9.050 13.980 ( 2.662 -12.827 -3.141) 13.471 14.108 ( 1.524 -3.859 5.734) 7.078 14.117 ( 0.567 0.325 4.070) 4.122 14.192 ( 3.768 2.990 0.653) 4.854 14.321 ( -1.695 -1.899 -1.862) 3.154 14.449 ( 3.213 4.735 -1.201) 5.847 14.488 ( 2.184 0.735 -2.237) 3.211 15.437 ( -3.303 -1.448 1.636) 3.960 15.497 ( -4.934 5.608 -2.535) 7.888 15.821 ( -14.648 5.577 6.031) 16.794 15.969 ( -10.130 5.351 -5.580) 12.743 16.138 ( -7.070 2.624 3.375) 8.262 16.245 ( -6.688 2.906 -5.202) 8.957 16.487 ( -3.973 -0.450 3.111) 5.066 16.524 ( 0.606 1.559 -0.487) 1.742 17.732 ( 7.695 17.461 5.303) 19.805 17.866 ( 7.108 15.063 -5.461) 17.528 18.310 ( -8.491 5.098 1.966) 10.097 18.358 ( -8.406 5.449 -1.872) 10.191 20.368 ( 18.748 20.010 5.887) 28.045 20.507 ( 17.872 17.641 -5.201) 25.645 21.901 ( -9.637 -3.809 3.626) 10.978 21.995 ( -10.932 -4.748 -3.884) 12.535 23.228 ( 13.877 2.174 3.520) 14.481 23.327 ( 10.643 1.179 -4.407) 11.580 23.512 ( 4.667 6.790 2.959) 8.754 23.581 ( 4.031 6.428 -2.638) 8.033 28.011 ( 1.187 11.410 0.863) 11.504 28.048 ( 0.007 11.569 -2.392) 11.814 28.303 ( -3.441 8.745 3.492) 10.026 28.361 ( -1.179 6.833 -1.471) 7.088 29.016 ( -0.654 16.264 1.520) 16.348 29.037 ( -5.612 17.345 -0.039) 18.230 29.573 ( -5.863 5.531 2.120) 8.335 29.634 ( -5.089 7.269 -2.427) 9.199 30.019 ( 12.187 1.197 5.797) 13.548 30.213 ( 10.470 -4.437 -8.461) 14.173 30.325 ( 4.981 1.799 7.534) 9.209 30.502 ( 5.073 5.530 -6.963) 10.237 30.683 ( 6.031 -7.481 -0.627) 9.630 30.717 ( 2.977 -8.923 -2.829) 9.823 31.423 ( -6.522 -9.703 8.512) 14.462 31.668 ( -10.178 -10.629 -12.474) 19.292 33.839 ( 4.079 6.149 0.347) 7.387 33.849 ( 6.932 2.542 -0.478) 7.399 34.658 ( -10.117 -16.812 24.946) 31.738 35.169 ( -15.543 -25.147 -16.989) 34.097 ======================= Grid point 129 (49/60) ======================= q-point: ( 0.33 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 4.256 15.292 13.814) 21.042 2.926 ( 4.474 11.368 -18.253) 21.964 2.995 ( 12.799 5.056 18.943) 23.414 3.356 ( -6.625 2.654 4.499) 8.437 3.451 ( 0.511 5.443 -1.581) 5.690 3.519 ( 7.493 -0.984 -21.714) 22.992 3.710 ( -4.865 8.699 3.359) 10.517 3.894 ( -5.069 2.019 11.571) 12.793 4.024 ( 1.758 -2.793 -12.208) 12.646 4.162 ( -2.711 3.755 -8.762) 9.911 4.632 ( -5.524 0.246 10.093) 11.508 4.790 ( -3.009 -5.531 -0.668) 6.332 5.078 ( 12.652 12.158 13.811) 22.330 5.436 ( 13.665 17.024 -15.137) 26.565 5.976 ( 2.771 7.507 4.016) 8.953 6.132 ( -0.221 19.358 -1.981) 19.460 6.150 ( 17.177 34.472 5.212) 38.866 6.359 ( 11.623 4.192 -9.469) 15.567 6.965 ( 5.486 -5.089 5.768) 9.448 7.073 ( 3.670 -4.637 -3.673) 6.961 7.182 ( -8.998 -6.228 13.479) 17.362 7.412 ( 2.457 9.475 -5.170) 11.070 7.577 ( -0.846 3.093 5.294) 6.189 7.727 ( -13.216 -9.323 -7.711) 17.918 8.100 ( 13.854 -13.310 10.625) 21.954 8.387 ( 6.953 -1.342 -4.889) 8.605 8.440 ( 11.416 -13.386 -12.331) 21.484 8.518 ( 3.608 5.677 -4.037) 7.845 8.821 ( -0.790 -5.892 5.733) 8.259 9.061 ( 3.380 1.055 -3.401) 4.910 9.257 ( -0.367 -8.579 12.120) 14.854 9.588 ( -1.545 -4.411 -13.219) 14.021 9.889 ( -0.362 -8.367 5.611) 10.081 9.944 ( -1.794 -3.025 3.466) 4.938 9.989 ( 3.585 -4.779 2.054) 6.318 10.113 ( 7.470 -15.101 -7.901) 18.608 10.445 ( -1.659 -0.463 2.093) 2.710 10.495 ( -1.412 -4.965 -0.888) 5.238 10.555 ( -4.917 -11.462 3.141) 12.862 10.653 ( -0.542 -10.350 -3.076) 10.811 10.811 ( -7.318 -17.064 4.079) 19.010 10.902 ( -10.015 -11.515 -3.463) 15.648 11.134 ( -2.191 -7.572 7.271) 10.724 11.199 ( -14.347 -7.779 7.114) 17.803 11.251 ( -7.488 -1.300 0.932) 7.657 11.425 ( -10.350 -3.779 -7.727) 13.458 11.537 ( -5.116 -1.919 3.019) 6.243 11.664 ( -7.573 -0.632 -4.895) 9.040 11.846 ( -0.718 6.951 2.657) 7.476 11.967 ( -0.173 5.763 -4.925) 7.583 11.991 ( -1.356 0.171 1.151) 1.787 12.130 ( -0.553 -1.709 -8.485) 8.673 12.571 ( -0.374 -0.885 7.919) 7.978 12.686 ( 1.063 -0.667 3.007) 3.258 12.743 ( -5.299 4.032 -2.117) 6.987 12.840 ( -3.235 4.915 -4.959) 7.695 13.125 ( 9.551 5.158 9.652) 14.525 13.331 ( 3.257 0.887 -2.892) 4.445 13.361 ( 2.393 -2.077 -1.403) 3.466 13.502 ( 5.326 -4.948 -10.281) 12.591 13.780 ( -6.179 -3.860 8.313) 11.054 13.944 ( -4.428 -4.377 -4.549) 7.711 14.078 ( -6.006 -1.231 2.936) 6.797 14.121 ( -2.509 -2.596 -1.886) 4.073 14.278 ( 4.990 1.860 5.331) 7.535 14.341 ( 4.105 -2.355 2.647) 5.423 14.501 ( -0.703 1.120 -2.045) 2.435 14.514 ( 2.653 1.996 -2.998) 4.473 15.301 ( -10.158 1.884 2.446) 10.617 15.370 ( -2.392 -5.746 -3.714) 7.248 15.646 ( -6.630 -3.228 2.080) 7.662 15.728 ( -13.524 1.499 -3.138) 13.964 16.056 ( 0.658 9.070 3.275) 9.666 16.161 ( -1.587 8.164 -4.240) 9.336 16.385 ( -6.125 3.271 6.207) 9.313 16.485 ( -4.929 3.539 -2.464) 6.549 17.910 ( 9.400 13.913 3.665) 17.186 18.010 ( 7.026 12.860 -4.407) 15.302 18.204 ( -2.962 8.526 1.872) 9.218 18.247 ( -3.453 9.219 -1.623) 9.978 20.732 ( 18.194 13.762 4.721) 23.296 20.849 ( 16.800 11.581 -4.641) 20.926 21.679 ( -12.835 0.190 2.484) 13.074 21.741 ( -14.343 -0.162 -2.440) 14.550 23.469 ( 10.062 1.739 1.811) 10.371 23.518 ( 8.301 0.881 -2.140) 8.618 23.597 ( 3.674 5.895 2.401) 7.350 23.654 ( 2.999 5.510 -2.178) 6.640 28.045 ( 2.352 11.766 -0.004) 11.998 28.058 ( 1.101 11.821 -1.190) 11.932 28.223 ( -4.303 11.117 3.705) 12.483 28.299 ( -4.745 9.810 -2.600) 11.203 29.000 ( 2.646 14.984 3.208) 15.550 29.077 ( 5.022 13.928 -2.844) 15.077 29.432 ( -8.210 8.547 3.053) 12.239 29.509 ( -7.369 9.719 -3.068) 12.577 30.239 ( 9.923 -3.557 6.766) 12.526 30.387 ( 7.474 -1.638 -2.585) 8.076 30.432 ( 4.961 -9.732 5.363) 12.169 30.608 ( 4.180 -3.770 -7.486) 9.366 30.772 ( 4.259 -3.511 0.652) 5.557 30.815 ( 7.228 -7.040 -3.691) 10.743 31.273 ( -8.655 -7.338 5.505) 12.612 31.451 ( -11.767 -9.226 -9.757) 17.855 33.934 ( 5.772 2.508 3.192) 7.057 34.012 ( 9.729 -1.365 -3.014) 10.276 34.447 ( -10.961 -11.315 18.386) 24.212 34.842 ( -17.246 -18.076 -13.656) 28.472 ======================= Grid point 130 (50/60) ======================= q-point: ( 0.44 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( 14.174 12.220 11.114) 21.766 3.031 ( -14.866 10.273 6.199) 19.104 3.065 ( 7.750 10.075 -15.088) 19.729 3.229 ( -0.020 7.056 1.604) 7.236 3.380 ( -1.105 5.707 -0.495) 5.834 3.519 ( -6.851 -1.807 13.114) 14.905 3.710 ( 2.777 -4.042 -12.777) 13.685 3.798 ( -5.073 -1.748 -2.451) 5.899 4.083 ( 11.267 -0.223 5.604) 12.585 4.338 ( 15.213 -2.959 -15.494) 21.915 4.401 ( -16.703 -5.571 9.541) 20.026 4.634 ( -12.837 -6.516 -9.602) 17.305 5.440 ( 22.756 13.948 15.546) 30.888 5.799 ( 19.957 24.057 -14.664) 34.526 5.872 ( -17.992 12.682 8.103) 23.456 6.083 ( -4.224 19.927 -9.621) 22.528 6.438 ( 15.006 11.976 10.676) 21.968 6.664 ( 14.661 8.254 -5.698) 17.764 6.824 ( -16.863 -5.383 6.013) 18.695 6.980 ( -8.551 -1.030 -2.677) 9.020 7.252 ( 8.706 9.704 8.185) 15.393 7.375 ( 1.164 12.130 2.755) 12.494 7.529 ( -6.041 4.348 -1.106) 7.525 7.574 ( -4.592 9.946 -1.244) 11.025 8.366 ( 10.507 -7.493 3.070) 13.265 8.446 ( 0.421 0.561 0.466) 0.843 8.545 ( 2.556 -2.260 -0.746) 3.492 8.611 ( 0.606 -10.890 -10.993) 15.485 8.894 ( 9.957 -15.761 7.952) 20.268 9.118 ( -7.231 -12.439 11.201) 18.234 9.259 ( 8.693 -6.023 -15.001) 18.354 9.475 ( -9.812 -3.274 -14.693) 17.968 9.919 ( 5.907 -6.971 2.175) 9.392 9.964 ( 3.448 -5.454 0.313) 6.461 10.050 ( -0.993 -9.654 1.046) 9.762 10.099 ( -7.697 -13.206 -5.073) 16.105 10.505 ( 6.069 -6.593 1.197) 9.041 10.518 ( 5.952 -10.687 -0.367) 12.239 10.561 ( 4.695 -8.008 11.461) 14.749 10.660 ( -6.657 -18.896 1.250) 20.073 10.691 ( -7.821 -16.097 0.762) 17.913 10.758 ( 5.798 0.284 -0.626) 5.838 10.846 ( -13.768 -3.277 7.630) 16.078 11.046 ( -14.109 -1.100 -2.400) 14.354 11.193 ( 4.696 -6.324 7.244) 10.702 11.281 ( -2.981 -1.899 0.669) 3.597 11.455 ( -2.977 -1.311 -2.950) 4.392 11.482 ( -7.249 -0.373 -5.064) 8.851 11.900 ( 5.174 3.624 -0.445) 6.333 11.975 ( 0.761 -0.359 -3.334) 3.439 11.995 ( -0.322 -0.035 -2.273) 2.296 12.070 ( -5.270 -1.561 -5.388) 7.697 12.593 ( 2.030 0.728 7.319) 7.630 12.639 ( -3.072 3.913 6.743) 8.380 12.729 ( 2.312 -0.079 -3.520) 4.212 12.786 ( -2.832 1.856 -4.963) 6.008 13.332 ( 10.441 5.741 5.141) 12.977 13.408 ( 2.872 0.908 -0.457) 3.047 13.425 ( 3.335 -1.251 1.711) 3.952 13.549 ( -6.249 0.066 -4.632) 7.778 13.722 ( 5.800 -1.377 4.014) 7.186 13.885 ( -1.187 -1.921 -5.925) 6.341 13.906 ( -8.190 1.593 -0.069) 8.344 14.005 ( -8.317 -1.643 -6.709) 10.811 14.363 ( 3.702 0.478 7.571) 8.441 14.415 ( -0.140 -0.684 5.858) 5.900 14.486 ( 2.107 -1.595 -2.203) 3.440 14.536 ( -1.038 -0.798 -3.603) 3.833 15.241 ( 4.093 -0.798 5.861) 7.193 15.358 ( -1.305 -6.443 -1.118) 6.668 15.466 ( -7.666 -4.285 -2.903) 9.249 15.518 ( -7.512 -6.001 -5.144) 10.904 16.152 ( 6.702 11.579 2.077) 13.539 16.182 ( 4.015 8.496 -0.051) 9.397 16.267 ( -5.278 7.920 4.216) 10.410 16.345 ( -8.594 6.791 -2.199) 11.171 18.068 ( 6.334 11.238 2.147) 13.077 18.125 ( 4.227 11.184 -2.169) 12.151 18.158 ( -2.403 9.761 1.106) 10.113 18.195 ( -2.507 10.541 -1.611) 10.954 21.077 ( 17.090 8.475 3.432) 19.383 21.163 ( 15.329 7.223 -3.413) 17.286 21.399 ( -15.623 3.911 2.258) 16.263 21.455 ( -14.645 3.641 -2.176) 15.247 23.609 ( 4.190 3.378 1.307) 5.539 23.638 ( 2.162 4.160 0.671) 4.736 23.646 ( 2.745 3.016 -0.293) 4.088 23.685 ( -0.083 4.154 -1.734) 4.502 28.088 ( 2.291 12.014 0.537) 12.242 28.109 ( 3.847 12.018 -1.056) 12.663 28.145 ( -3.512 11.971 2.258) 12.678 28.198 ( -5.123 11.684 -2.058) 12.922 29.104 ( 7.259 12.236 3.896) 14.751 29.201 ( 7.390 12.341 -3.867) 14.895 29.264 ( -8.674 10.414 3.625) 14.030 29.355 ( -8.103 11.236 -3.680) 14.334 30.397 ( 5.976 -6.503 6.683) 11.076 30.464 ( -0.489 -6.020 6.920) 9.185 30.531 ( 5.681 -9.240 -3.396) 11.366 30.618 ( -2.657 -8.941 -4.908) 10.540 30.906 ( 8.792 -1.165 1.669) 9.025 30.989 ( 10.202 -7.535 -5.232) 13.719 31.093 ( -9.258 -4.474 2.814) 10.661 31.216 ( -11.957 -8.353 -7.559) 16.428 34.067 ( 7.830 -1.639 7.109) 10.702 34.228 ( 7.086 -5.971 -1.099) 9.331 34.245 ( -4.095 -6.248 7.130) 10.326 34.514 ( -15.794 -11.544 -9.842) 21.899 ======================= Grid point 135 (51/60) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( 0.000 14.175 17.114) 22.222 2.989 ( 0.000 7.886 0.869) 7.934 3.107 ( 0.000 10.409 -9.870) 14.344 3.212 ( 0.000 21.476 -1.559) 21.533 3.524 ( 0.000 10.155 6.407) 12.007 3.542 ( 0.000 -4.726 -14.863) 15.596 3.690 ( 0.000 -2.682 -18.734) 18.925 3.726 ( 0.000 14.312 -10.763) 17.907 4.285 ( 0.000 -1.819 20.273) 20.354 4.349 ( 0.000 -6.044 15.980) 17.084 4.590 ( 0.000 -1.730 0.257) 1.749 4.740 ( 0.000 -5.283 -16.812) 17.622 5.272 ( 0.000 14.814 24.095) 28.285 5.445 ( 0.000 -4.899 25.965) 26.423 5.803 ( 0.000 18.888 -17.857) 25.993 6.013 ( 0.000 -14.462 19.618) 24.372 6.081 ( 0.000 -16.049 16.294) 22.871 6.125 ( 0.000 -5.975 -24.796) 25.505 6.500 ( 0.000 -15.067 -17.854) 23.362 6.561 ( 0.000 -2.818 -17.398) 17.625 7.011 ( 0.000 13.346 -6.918) 15.033 7.105 ( 0.000 24.284 -10.178) 26.331 7.574 ( 0.000 -6.719 11.846) 13.619 7.765 ( 0.000 3.511 13.406) 13.858 7.814 ( 0.000 -12.396 12.173) 17.374 7.962 ( 0.000 3.763 -11.908) 12.488 8.122 ( 0.000 6.163 -16.957) 18.042 8.213 ( 0.000 -18.604 -15.572) 24.261 8.766 ( 0.000 3.636 21.267) 21.576 8.905 ( 0.000 1.737 7.364) 7.566 9.072 ( 0.000 -8.891 10.406) 13.687 9.287 ( 0.000 -9.937 -10.594) 14.525 9.699 ( 0.000 18.381 -1.743) 18.463 9.882 ( 0.000 9.978 -11.239) 15.029 10.277 ( 0.000 1.994 18.275) 18.384 10.328 ( 0.000 -8.751 17.839) 19.870 10.568 ( 0.000 -10.565 8.807) 13.754 10.658 ( 0.000 -6.231 -13.845) 15.183 10.716 ( 0.000 -4.904 -3.404) 5.970 10.759 ( 0.000 0.886 -11.154) 11.189 10.953 ( 0.000 -3.273 2.537) 4.141 11.032 ( 0.000 -14.762 6.022) 15.943 11.066 ( 0.000 0.090 -5.034) 5.035 11.251 ( 0.000 -10.758 -8.175) 13.512 11.575 ( 0.000 2.710 1.960) 3.345 11.619 ( 0.000 1.551 2.403) 2.860 11.662 ( 0.000 1.464 -1.152) 1.863 11.685 ( 0.000 0.877 -7.423) 7.475 11.897 ( 0.000 13.531 6.679) 15.090 12.112 ( 0.000 15.033 -10.942) 18.593 12.462 ( 0.000 6.462 16.980) 18.168 12.555 ( 0.000 -5.052 4.952) 7.074 12.655 ( 0.000 -6.113 -4.445) 7.558 12.713 ( 0.000 0.051 5.457) 5.457 12.779 ( 0.000 -4.195 -1.299) 4.391 12.884 ( 0.000 -3.690 -16.610) 17.015 13.013 ( 0.000 -9.789 9.751) 13.817 13.197 ( 0.000 -11.272 2.962) 11.655 13.325 ( 0.000 -7.628 -15.643) 17.404 13.346 ( 0.000 -7.468 -8.801) 11.542 13.632 ( 0.000 2.509 10.595) 10.888 13.808 ( 0.000 -2.460 -3.119) 3.972 13.871 ( 0.000 -2.899 7.036) 7.610 13.961 ( 0.000 -6.831 -0.534) 6.852 14.201 ( 0.000 -0.684 5.207) 5.252 14.297 ( 0.000 -3.028 0.687) 3.105 14.300 ( 0.000 -3.247 -2.501) 4.099 14.341 ( 0.000 -4.323 -2.338) 4.915 15.712 ( 0.000 14.954 7.341) 16.659 15.904 ( 0.000 15.980 -8.224) 17.972 16.136 ( 0.000 -1.286 4.775) 4.945 16.264 ( 0.000 1.096 -5.625) 5.731 16.397 ( 0.000 0.922 1.709) 1.942 16.419 ( 0.000 1.665 -0.243) 1.682 16.509 ( 0.000 -2.798 1.030) 2.982 16.524 ( 0.000 -2.234 -0.009) 2.234 17.992 ( 0.000 15.079 3.200) 15.415 18.073 ( 0.000 14.362 -3.267) 14.729 18.460 ( 0.000 -9.375 2.214) 9.633 18.515 ( 0.000 -8.373 -2.192) 8.655 20.572 ( 0.000 33.845 5.815) 34.341 20.707 ( 0.000 32.284 -4.917) 32.656 21.742 ( 0.000 -21.036 3.449) 21.317 21.829 ( 0.000 -20.363 -3.485) 20.659 23.123 ( 0.000 13.643 3.977) 14.211 23.237 ( 0.000 8.653 -5.090) 10.039 23.471 ( 0.000 -0.369 2.306) 2.335 23.530 ( 0.000 -2.575 -2.391) 3.514 28.205 ( 0.000 8.907 1.907) 9.108 28.263 ( 0.000 8.129 -2.891) 8.627 28.410 ( 0.000 -0.138 0.286) 0.318 28.418 ( 0.000 1.091 -0.360) 1.149 29.418 ( 0.000 9.699 13.564) 16.675 29.587 ( 0.000 6.847 3.758) 7.811 29.637 ( 0.000 -1.667 0.173) 1.676 29.767 ( 0.000 -0.671 -14.403) 14.419 29.877 ( 0.000 7.242 -0.501) 7.259 29.941 ( 0.000 11.448 -6.572) 13.201 30.268 ( 0.000 -10.730 4.877) 11.786 30.421 ( 0.000 -10.631 -7.310) 12.901 30.565 ( 0.000 16.435 10.409) 19.454 30.781 ( 0.000 18.439 -7.631) 19.956 31.264 ( 0.000 -15.598 12.430) 19.945 31.569 ( 0.000 -17.670 -12.991) 21.931 33.875 ( 0.000 10.156 5.823) 11.707 34.015 ( 0.000 14.979 -5.322) 15.897 34.456 ( 0.000 -18.068 19.844) 26.837 34.884 ( 0.000 -27.106 -14.857) 30.911 ======================= Grid point 136 (52/60) ======================= q-point: ( 0.11 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.929 ( 2.584 8.781 6.622) 11.297 2.960 ( -0.096 11.601 4.643) 12.496 3.118 ( -1.669 15.116 1.390) 15.272 3.171 ( 0.371 7.113 -13.284) 15.073 3.298 ( -8.536 3.916 0.053) 9.392 3.567 ( -0.980 -7.394 -20.450) 21.768 3.861 ( 15.482 8.159 0.948) 17.526 3.975 ( 6.768 11.990 -2.735) 14.038 4.188 ( -10.462 2.905 19.093) 21.965 4.337 ( 9.123 0.128 14.010) 16.719 4.515 ( -5.516 0.150 -3.203) 6.380 4.694 ( -2.717 -2.022 -11.886) 12.359 5.357 ( 2.427 -5.712 13.329) 14.703 5.707 ( 20.173 0.753 19.291) 27.923 5.782 ( -9.591 -1.731 -14.224) 17.242 5.954 ( 3.758 -0.461 12.127) 12.704 6.084 ( 5.491 10.881 10.227) 15.911 6.236 ( 2.163 -10.747 -2.551) 11.255 6.314 ( 3.808 -2.803 -14.629) 15.374 6.768 ( 4.180 2.951 -28.275) 28.735 7.054 ( 4.986 1.057 0.310) 5.106 7.155 ( 5.301 10.384 -5.906) 13.069 7.574 ( -0.920 -14.698 10.081) 17.847 7.687 ( -4.407 -2.719 9.546) 10.860 7.895 ( 9.247 -2.709 6.088) 11.398 8.047 ( 3.972 2.340 -7.714) 8.987 8.127 ( 0.993 3.851 -14.319) 14.861 8.265 ( 6.350 -1.055 -13.683) 15.121 8.808 ( 3.360 -1.693 14.488) 14.968 8.923 ( 1.817 -0.459 5.305) 5.626 9.120 ( 4.443 -4.356 13.494) 14.860 9.308 ( 2.058 -8.890 -8.549) 12.504 9.708 ( 0.968 13.879 -0.944) 13.944 9.869 ( -1.173 8.912 -9.326) 12.952 10.188 ( -9.100 -2.054 13.366) 16.299 10.286 ( -3.779 -1.540 14.566) 15.127 10.535 ( -3.993 -11.576 8.911) 15.145 10.591 ( -6.109 -5.341 -11.266) 13.884 10.621 ( -6.659 -3.658 -5.200) 9.207 10.735 ( -4.452 -5.687 -5.041) 8.808 10.846 ( -9.092 0.905 8.443) 12.441 11.019 ( -1.464 -9.311 -4.235) 10.333 11.079 ( 1.049 -8.204 -2.063) 8.525 11.244 ( -2.124 -6.808 -9.496) 11.876 11.566 ( -1.078 1.440 2.402) 3.001 11.593 ( -6.462 -1.752 1.486) 6.858 11.640 ( -0.512 -0.259 0.495) 0.758 11.688 ( 0.240 0.449 -3.723) 3.757 11.902 ( 0.888 12.704 3.622) 13.240 12.029 ( -4.726 7.971 -5.479) 10.765 12.426 ( -8.358 -2.597 6.077) 10.655 12.476 ( -13.253 -6.223 -0.398) 14.647 12.551 ( 1.342 1.043 5.507) 5.764 12.716 ( -0.493 3.229 -3.206) 4.577 12.800 ( 3.951 -1.009 0.103) 4.079 12.953 ( 3.392 -1.604 -10.512) 11.161 13.007 ( -0.744 -5.589 10.672) 12.070 13.203 ( 0.689 -10.411 4.281) 11.278 13.304 ( 0.453 -1.598 -11.423) 11.543 13.356 ( -1.220 -6.178 -9.930) 11.758 13.681 ( 4.485 -0.659 6.053) 7.563 13.754 ( -1.874 -2.465 0.879) 3.219 13.956 ( 4.287 -5.029 4.917) 8.237 14.002 ( 4.068 -5.889 0.545) 7.178 14.186 ( 0.437 1.253 3.557) 3.797 14.285 ( -0.302 -2.273 -2.768) 3.594 14.355 ( 4.145 -4.279 0.613) 5.989 14.392 ( 3.689 -4.659 -2.066) 6.291 15.658 ( -5.855 12.325 6.593) 15.155 15.828 ( -7.343 12.297 -6.784) 15.849 16.122 ( -5.175 -3.110 1.390) 6.195 16.184 ( -5.755 3.352 -2.607) 7.152 16.321 ( -7.587 1.572 4.424) 8.922 16.396 ( -1.993 2.898 -2.193) 4.145 16.506 ( 0.368 -1.722 0.273) 1.782 16.517 ( -0.206 -1.105 -0.376) 1.185 17.997 ( 0.882 14.406 3.562) 14.866 18.085 ( 1.697 13.660 -3.463) 14.194 18.412 ( -4.064 -6.739 2.298) 8.198 18.470 ( -3.879 -5.798 -2.306) 7.347 20.661 ( 8.382 31.282 5.089) 32.783 20.782 ( 7.179 29.821 -4.548) 31.009 21.755 ( 0.610 -18.811 3.474) 19.139 21.843 ( 0.583 -18.779 -3.555) 19.121 23.173 ( 5.141 11.675 3.472) 13.221 23.271 ( 3.628 7.464 -4.305) 9.349 23.498 ( 2.645 -0.692 2.227) 3.526 23.554 ( 2.355 -2.763 -2.230) 4.260 28.210 ( 0.575 8.990 1.591) 9.148 28.262 ( -0.099 8.311 -2.694) 8.737 28.414 ( 0.309 0.275 0.748) 0.855 28.428 ( 0.918 0.953 -0.431) 1.392 29.375 ( -3.167 11.814 8.919) 15.138 29.500 ( -7.175 10.126 -0.134) 12.411 29.644 ( 0.498 -1.366 2.413) 2.817 29.779 ( -0.362 2.244 -8.469) 8.768 29.914 ( 4.156 0.800 1.030) 4.356 29.995 ( 4.658 5.768 -4.730) 8.794 30.302 ( 2.695 -7.287 2.531) 8.172 30.434 ( 1.245 -8.595 -7.398) 11.409 30.580 ( 1.814 13.145 9.511) 16.326 30.781 ( 0.128 16.527 -7.173) 18.017 31.247 ( -1.742 -14.561 11.465) 18.615 31.527 ( -4.184 -16.469 -11.864) 20.725 33.890 ( 1.519 8.980 5.105) 10.441 34.014 ( -0.073 13.850 -4.747) 14.641 34.425 ( -3.117 -16.799 18.642) 25.288 34.829 ( -5.420 -25.468 -14.144) 29.632 ======================= Grid point 137 (53/60) ======================= q-point: ( 0.22 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.899 ( -2.327 4.474 2.655) 5.699 2.982 ( -1.647 14.382 1.003) 14.511 3.104 ( 5.217 9.685 -1.862) 11.157 3.250 ( 6.314 6.085 -14.071) 16.580 3.318 ( 8.045 -0.943 5.460) 9.768 3.551 ( -1.445 -3.354 -15.685) 16.104 3.874 ( -7.801 -9.459 16.119) 20.252 3.993 ( -4.494 4.123 3.148) 6.863 4.122 ( 0.804 12.823 9.928) 16.237 4.405 ( -5.746 8.113 -7.459) 12.429 4.637 ( 13.048 4.287 2.928) 14.043 4.703 ( 1.377 -3.030 -0.339) 3.346 5.310 ( -2.273 1.681 4.420) 5.247 5.476 ( -10.524 2.652 -3.991) 11.564 5.957 ( 3.779 -2.592 0.677) 4.632 6.175 ( 8.820 4.763 0.861) 10.061 6.356 ( 17.583 1.154 15.727) 23.619 6.400 ( 15.404 -0.805 -3.425) 15.801 6.534 ( 19.398 4.724 -4.618) 20.492 6.820 ( 3.552 7.994 -17.000) 19.119 7.057 ( -3.364 -9.846 8.448) 13.402 7.286 ( 7.211 -2.209 -8.103) 11.069 7.613 ( 5.527 -3.761 9.249) 11.412 7.727 ( 9.160 -6.365 2.947) 11.537 7.956 ( -4.845 4.717 -1.231) 6.873 8.181 ( 11.735 4.690 -1.274) 12.702 8.197 ( 4.232 5.295 -12.022) 13.801 8.439 ( 10.087 3.719 -13.726) 17.435 8.847 ( -0.456 -5.588 6.879) 8.874 8.972 ( 3.154 -0.998 0.998) 3.455 9.206 ( 2.438 1.613 19.190) 19.412 9.367 ( 4.118 -8.049 -4.819) 10.245 9.739 ( 1.948 0.239 -1.411) 2.418 9.839 ( -1.932 5.458 -4.831) 7.541 9.987 ( -8.857 -5.191 5.053) 11.442 10.151 ( -10.309 3.763 0.953) 11.015 10.401 ( -8.462 -13.001 3.238) 15.846 10.475 ( -6.114 -1.748 0.086) 6.360 10.499 ( -5.201 -8.251 -3.219) 10.271 10.573 ( -10.218 -6.148 -4.419) 12.718 10.687 ( -6.804 -1.295 16.034) 17.466 10.956 ( -4.783 -6.044 -4.833) 9.098 11.087 ( -0.962 -12.543 -3.178) 12.975 11.144 ( -7.728 0.124 -8.674) 11.618 11.425 ( -8.787 -5.289 8.677) 13.434 11.474 ( -8.108 -0.645 1.776) 8.325 11.593 ( -5.247 -3.443 0.681) 6.312 11.691 ( -0.975 -3.233 -1.997) 3.923 11.923 ( 0.655 7.867 -1.788) 8.094 11.983 ( -0.776 1.440 -3.734) 4.076 12.210 ( -9.315 -0.491 -0.782) 9.361 12.259 ( -7.929 -2.926 -7.151) 11.070 12.580 ( -0.340 2.171 9.469) 9.720 12.684 ( -1.628 2.841 2.104) 3.892 12.838 ( -2.082 -2.409 0.148) 3.187 12.959 ( -2.107 -2.477 -4.754) 5.759 13.063 ( 7.211 4.729 6.635) 10.880 13.236 ( 2.949 -4.266 3.867) 6.469 13.329 ( -0.305 -0.233 -4.997) 5.012 13.361 ( 5.167 1.505 -13.243) 14.295 13.724 ( -1.097 -4.199 3.169) 5.374 13.774 ( 3.146 -5.294 -0.623) 6.189 14.025 ( 3.256 -3.839 6.324) 8.083 14.079 ( 2.859 -3.957 2.471) 5.472 14.239 ( 4.062 1.896 0.527) 4.514 14.297 ( 1.336 -0.035 -1.457) 1.977 14.428 ( 3.028 -4.957 0.240) 5.814 14.458 ( 2.669 -4.535 -2.047) 5.646 15.479 ( -11.677 5.299 3.050) 13.181 15.619 ( -13.853 4.676 -8.582) 16.953 15.889 ( -14.470 0.933 7.728) 16.431 16.034 ( -12.781 1.001 -1.984) 12.973 16.221 ( -1.322 5.924 3.037) 6.788 16.337 ( -2.015 4.818 -4.452) 6.863 16.498 ( -1.117 0.626 2.853) 3.127 16.548 ( 1.849 -0.125 -1.394) 2.319 18.046 ( 4.313 12.336 4.000) 13.667 18.145 ( 4.264 11.196 -3.971) 12.621 18.339 ( -2.797 -1.861 2.367) 4.109 18.398 ( -2.818 -1.040 -2.417) 3.856 20.863 ( 11.352 25.540 3.914) 28.223 20.960 ( 10.252 24.053 -3.812) 26.423 21.738 ( -2.793 -12.690 3.098) 13.358 21.816 ( -3.751 -13.099 -3.194) 13.995 23.317 ( 9.019 6.726 2.296) 11.483 23.379 ( 7.113 4.150 -2.681) 8.660 23.566 ( 3.899 -1.238 1.987) 4.548 23.614 ( 3.460 -2.972 -1.887) 4.936 28.229 ( 1.410 9.085 0.874) 9.235 28.264 ( 0.363 8.695 -2.070) 8.945 28.413 ( -0.584 1.844 1.712) 2.583 28.443 ( 0.344 1.120 -0.863) 1.455 29.330 ( -0.969 13.425 3.171) 13.829 29.371 ( -5.026 14.285 0.055) 15.143 29.633 ( -1.878 -0.138 3.456) 3.936 29.743 ( -3.111 2.529 -5.018) 6.423 30.024 ( 6.370 -5.610 2.910) 8.973 30.096 ( 5.351 0.403 -0.543) 5.394 30.350 ( 2.113 -5.213 -0.813) 5.683 30.456 ( 0.653 -3.077 -7.397) 8.039 30.644 ( 4.541 5.511 6.946) 9.961 30.797 ( 1.789 11.820 -5.715) 13.250 31.194 ( -3.687 -11.920 9.123) 15.456 31.413 ( -7.199 -13.378 -9.176) 17.748 33.935 ( 3.023 5.867 3.213) 7.341 34.014 ( 0.195 10.779 -3.105) 11.219 34.342 ( -5.143 -13.436 15.453) 21.113 34.683 ( -9.129 -21.151 -12.148) 26.044 ======================= Grid point 138 (54/60) ======================= q-point: ( 0.33 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( 2.359 15.084 7.209) 16.884 3.059 ( 8.095 4.167 0.921) 9.151 3.215 ( 6.239 12.946 -6.343) 15.709 3.369 ( 3.717 0.955 -4.965) 6.275 3.493 ( 5.883 -1.769 -2.952) 6.816 3.499 ( -1.980 0.121 -13.180) 13.328 3.777 ( -6.024 -3.232 13.529) 15.158 3.903 ( 1.325 1.928 7.430) 7.790 4.076 ( -5.258 3.384 0.667) 6.288 4.265 ( -7.206 6.322 -8.664) 12.921 4.576 ( -13.550 -4.342 3.134) 14.570 4.669 ( -7.368 -5.093 -2.448) 9.286 5.275 ( 4.962 5.569 21.915) 23.150 5.710 ( 21.825 10.762 -12.599) 27.403 6.036 ( 0.237 1.159 -0.053) 1.184 6.166 ( 0.650 5.100 -4.619) 6.912 6.515 ( 3.204 -11.354 -0.158) 11.798 6.746 ( -0.167 -0.556 -7.888) 7.909 6.870 ( 13.671 -10.213 1.846) 17.165 6.950 ( 18.429 5.760 0.178) 19.309 7.214 ( 18.990 18.075 13.703) 29.582 7.493 ( 12.872 5.260 -9.875) 17.055 7.740 ( 4.424 6.123 7.169) 10.414 7.807 ( -1.170 13.584 2.172) 13.807 7.977 ( 8.735 0.686 6.868) 11.133 8.249 ( 2.851 -1.631 -15.838) 16.175 8.388 ( 7.220 0.507 0.075) 7.238 8.594 ( 3.762 0.958 -11.860) 12.479 8.782 ( -5.352 -0.378 8.968) 10.451 9.051 ( 5.297 0.139 -8.387) 9.920 9.143 ( -9.119 -0.927 22.742) 24.520 9.457 ( 4.124 -7.722 -4.277) 9.743 9.754 ( 0.334 -6.220 -6.391) 8.925 9.807 ( -2.726 -8.608 -7.399) 11.674 9.878 ( -4.602 -9.073 0.698) 10.197 9.959 ( -5.605 1.648 -2.778) 6.469 10.245 ( -6.358 -15.494 3.086) 17.030 10.328 ( -8.062 -4.690 1.126) 9.395 10.401 ( -7.171 -9.616 -1.227) 12.058 10.413 ( -3.890 -10.084 -2.071) 11.005 10.589 ( -2.242 0.428 15.437) 15.605 10.858 ( -6.053 3.112 -7.760) 10.322 10.994 ( -4.864 -7.649 1.805) 9.243 11.030 ( -4.138 -3.459 5.760) 7.891 11.265 ( -10.362 0.917 4.596) 11.373 11.303 ( -5.660 -7.249 0.903) 9.241 11.458 ( -6.018 -5.148 0.710) 7.951 11.622 ( -6.096 -3.329 -4.758) 8.419 11.922 ( -0.339 3.387 -3.049) 4.570 11.978 ( 0.382 -0.407 -5.054) 5.085 12.096 ( -3.485 3.568 -0.088) 4.988 12.171 ( -3.011 3.566 -7.449) 8.790 12.553 ( -0.755 -0.520 8.607) 8.656 12.662 ( -0.324 -0.031 1.693) 1.724 12.767 ( -3.983 -2.026 4.038) 6.023 12.900 ( -3.895 0.003 -4.397) 5.874 13.238 ( 9.553 4.005 5.500) 11.728 13.317 ( 5.048 -0.405 1.659) 5.329 13.346 ( 2.033 0.592 -2.231) 3.076 13.501 ( 8.178 4.112 -11.226) 14.485 13.679 ( -3.036 -4.374 4.966) 7.281 13.815 ( 1.510 -4.659 -5.872) 7.646 14.059 ( -1.464 -1.562 3.544) 4.141 14.101 ( -0.841 -0.688 1.099) 1.545 14.311 ( 3.155 1.315 2.056) 3.989 14.323 ( 1.328 0.406 2.250) 2.644 14.458 ( -0.528 -4.581 0.819) 4.684 14.490 ( 0.446 -4.572 -1.987) 5.005 15.268 ( -7.796 -0.343 -0.627) 7.829 15.359 ( -9.855 1.059 -7.511) 12.437 15.609 ( -13.614 -0.398 7.481) 15.539 15.741 ( -15.750 -0.127 -1.558) 15.827 16.246 ( 3.678 7.908 2.161) 8.985 16.335 ( 1.285 7.901 -3.532) 8.749 16.464 ( -2.279 3.068 5.085) 6.361 16.551 ( -1.866 1.545 -2.431) 3.432 18.151 ( 5.782 9.025 3.288) 11.211 18.236 ( 4.516 8.396 -3.436) 10.134 18.309 ( -0.502 1.780 2.159) 2.843 18.366 ( -0.781 2.454 -2.349) 3.486 21.084 ( 11.026 18.454 3.163) 21.728 21.164 ( 10.282 17.149 -3.177) 20.246 21.642 ( -6.769 -5.093 2.327) 8.785 21.700 ( -7.593 -5.018 -2.331) 9.395 23.498 ( 8.650 2.170 1.038) 8.978 23.526 ( 7.191 0.881 -1.218) 7.346 23.637 ( 3.015 -1.430 1.602) 3.702 23.676 ( 2.468 -2.758 -1.511) 3.998 28.266 ( 2.344 8.858 0.053) 9.163 28.278 ( 1.146 8.820 -1.049) 8.956 28.389 ( -1.812 4.439 2.117) 5.242 28.432 ( -1.625 2.862 -1.441) 3.593 29.315 ( 0.055 14.659 2.028) 14.799 29.353 ( 2.714 12.004 -0.690) 12.326 29.568 ( -4.607 3.531 3.518) 6.787 29.661 ( -5.093 3.632 -3.670) 7.253 30.145 ( 5.611 -9.815 4.319) 12.103 30.194 ( 4.351 -2.882 3.480) 6.273 30.389 ( 1.863 -7.019 -4.802) 8.706 30.459 ( -0.287 -1.673 -7.236) 7.433 30.746 ( 5.707 0.886 5.010) 7.646 30.854 ( 3.972 7.039 -3.946) 8.994 31.105 ( -5.341 -8.524 6.522) 11.988 31.256 ( -8.511 -9.089 -6.199) 13.909 34.010 ( 4.573 1.789 0.664) 4.955 34.027 ( 1.423 6.176 -0.625) 6.368 34.234 ( -5.543 -8.863 11.201) 15.321 34.488 ( -10.343 -15.417 -9.251) 20.743 ======================= Grid point 139 (55/60) ======================= q-point: ( 0.44 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.011 ( 10.714 14.460 9.337) 20.275 3.211 ( -2.462 6.610 7.248) 10.114 3.297 ( 4.998 8.352 -7.788) 12.465 3.377 ( 1.401 7.903 -1.562) 8.177 3.485 ( 0.313 2.362 -9.655) 9.945 3.550 ( -3.363 3.700 6.016) 7.823 3.647 ( 1.812 -0.291 -6.401) 6.659 3.868 ( -15.014 8.908 -8.288) 19.325 4.050 ( 10.158 -2.303 7.813) 13.021 4.249 ( -1.701 -5.446 2.724) 6.322 4.317 ( -2.938 -1.641 -3.019) 4.521 4.495 ( -10.358 -6.492 -8.393) 14.829 5.461 ( 13.489 -7.245 26.433) 30.547 5.775 ( -16.597 -14.091 20.883) 30.168 6.088 ( 12.459 2.497 -26.026) 28.962 6.271 ( -2.065 2.709 -18.709) 19.017 6.681 ( 13.530 5.171 2.109) 14.638 6.789 ( 14.712 6.513 -4.290) 16.651 7.008 ( -9.898 14.141 2.452) 17.434 7.050 ( -6.213 4.115 -0.352) 7.460 7.579 ( 16.111 21.693 9.477) 28.635 7.715 ( 11.874 14.422 1.133) 18.715 7.780 ( -2.584 14.765 5.244) 15.880 7.867 ( 0.418 13.265 0.134) 13.273 8.154 ( 12.281 -4.384 5.901) 14.313 8.356 ( 7.465 -7.636 -11.452) 15.658 8.404 ( -6.255 -4.467 0.236) 7.689 8.545 ( -7.777 -1.936 -9.068) 12.102 8.730 ( 3.010 0.106 15.310) 15.604 8.900 ( -12.769 -4.759 20.494) 24.611 9.213 ( 10.840 0.370 -20.041) 22.787 9.437 ( -8.937 -0.348 -19.323) 21.293 9.711 ( 0.037 -17.744 -2.681) 17.945 9.766 ( -3.691 -13.817 6.119) 15.555 9.848 ( 3.766 -8.789 -5.859) 11.214 9.914 ( -2.000 -4.602 -2.867) 5.779 10.184 ( -0.733 -16.531 3.229) 16.860 10.211 ( -3.288 -10.706 5.238) 12.364 10.296 ( -1.996 -11.941 -2.166) 12.299 10.340 ( -4.066 -12.274 -3.035) 13.281 10.618 ( 5.097 2.255 11.938) 13.175 10.795 ( -11.273 -0.972 10.161) 15.207 10.810 ( 3.612 2.573 -3.877) 5.891 10.987 ( -10.270 -3.918 -2.741) 11.329 11.159 ( 6.413 1.954 10.950) 12.839 11.259 ( -1.244 -1.231 -1.295) 2.178 11.391 ( -0.665 -4.386 -0.913) 4.529 11.473 ( -7.965 -1.135 -4.943) 9.443 11.940 ( 2.620 1.182 -1.159) 3.100 12.002 ( 0.980 2.155 -4.067) 4.706 12.023 ( -2.773 1.717 -1.553) 3.613 12.089 ( -5.057 3.304 -6.148) 8.619 12.585 ( 3.792 -1.574 7.309) 8.383 12.665 ( -2.733 -1.434 6.997) 7.648 12.719 ( 2.264 0.098 -2.726) 3.545 12.809 ( -5.218 0.624 -3.804) 6.487 13.381 ( 3.545 -1.927 2.053) 4.527 13.403 ( 1.900 -0.273 4.229) 4.644 13.423 ( 6.891 1.282 -0.813) 7.056 13.549 ( -4.980 -0.111 -3.981) 6.377 13.727 ( 9.709 2.139 1.806) 10.104 13.875 ( 5.288 0.390 -8.444) 9.971 13.939 ( -9.455 2.136 1.844) 9.867 14.022 ( -7.090 1.488 -4.799) 8.690 14.350 ( 2.033 -1.191 4.754) 5.306 14.380 ( 2.186 -1.694 3.899) 4.780 14.419 ( -1.315 -4.300 1.285) 4.677 14.466 ( -2.730 -4.869 -1.283) 5.727 15.231 ( 3.713 -0.358 0.682) 3.792 15.287 ( 2.034 -0.928 -4.136) 4.701 15.379 ( -8.919 -2.156 3.003) 9.655 15.458 ( -12.284 -1.225 -2.786) 12.656 16.341 ( 4.849 6.261 1.829) 8.128 16.375 ( 2.733 8.497 -0.431) 8.936 16.416 ( -2.005 5.552 3.135) 6.683 16.480 ( -5.000 4.730 -2.048) 7.181 18.249 ( 3.765 6.039 2.480) 7.536 18.292 ( -0.496 4.254 1.773) 4.635 18.317 ( 2.330 5.921 -2.328) 6.776 18.352 ( -1.021 4.546 -2.360) 5.223 21.292 ( 10.203 10.675 2.628) 14.999 21.357 ( 9.500 10.047 -2.602) 14.070 21.483 ( -9.178 2.708 2.172) 9.813 21.537 ( -8.842 2.825 -2.143) 9.527 23.630 ( 4.366 -0.240 0.506) 4.402 23.643 ( 4.639 -1.030 -0.590) 4.788 23.670 ( 0.051 -1.176 1.058) 1.582 23.696 ( -0.671 -2.094 -1.059) 2.441 28.307 ( 1.870 8.396 0.289) 8.607 28.321 ( 3.089 7.747 -0.806) 8.379 28.348 ( -2.221 6.890 1.480) 7.389 28.384 ( -3.067 5.641 -1.426) 6.577 29.360 ( 4.197 11.708 3.270) 12.860 29.434 ( 4.811 9.047 -2.103) 10.461 29.464 ( -5.223 8.083 3.121) 10.117 29.550 ( -6.026 6.290 -3.229) 9.290 30.232 ( 2.995 -10.708 5.819) 12.550 30.251 ( 1.138 -7.301 6.246) 9.676 30.422 ( 1.483 -6.718 -7.961) 10.522 30.446 ( -0.979 -3.794 -7.886) 8.806 30.864 ( 6.295 -2.142 4.319) 7.929 30.950 ( 5.351 2.048 -2.454) 6.233 30.992 ( -5.537 -4.958 4.067) 8.472 31.092 ( -7.966 -3.661 -3.912) 9.600 34.062 ( 2.761 1.383 2.843) 4.197 34.126 ( 3.502 -3.539 0.656) 5.022 34.137 ( -0.851 -3.806 3.586) 5.298 34.293 ( -9.358 -9.354 -5.928) 14.499 ======================= Grid point 144 (56/60) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.067 ( 0.000 -1.678 8.389) 8.555 3.067 ( 0.000 1.678 8.389) 8.555 3.351 ( 0.000 -11.297 -15.994) 19.581 3.351 ( 0.000 11.297 -15.994) 19.582 3.519 ( 0.000 -4.319 5.543) 7.027 3.519 ( 0.000 4.319 5.543) 7.027 3.804 ( 0.000 -4.226 -16.886) 17.407 3.804 ( 0.000 4.226 -16.886) 17.407 4.224 ( 0.000 -0.538 19.134) 19.141 4.224 ( 0.000 0.538 19.134) 19.141 4.592 ( 0.000 -3.893 -9.840) 10.582 4.592 ( 0.000 3.893 -9.840) 10.582 5.602 ( 0.000 -4.853 27.906) 28.325 5.602 ( 0.000 4.853 27.906) 28.325 5.688 ( 0.000 -10.277 21.026) 23.403 5.688 ( 0.000 10.277 21.026) 23.403 6.168 ( 0.000 -15.302 -16.522) 22.519 6.168 ( 0.000 15.302 -16.522) 22.519 6.324 ( 0.000 -13.694 -26.201) 29.564 6.324 ( 0.000 13.694 -26.201) 29.564 7.272 ( 0.000 -14.294 7.650) 16.212 7.272 ( 0.000 14.294 7.650) 16.212 7.569 ( 0.000 -19.912 -14.391) 24.568 7.569 ( 0.000 19.912 -14.391) 24.568 7.861 ( 0.000 -1.285 11.074) 11.148 7.861 ( 0.000 1.285 11.074) 11.148 8.198 ( 0.000 -1.464 -13.938) 14.015 8.198 ( 0.000 1.464 -13.938) 14.015 8.874 ( 0.000 -7.257 13.075) 14.954 8.874 ( 0.000 7.257 13.075) 14.954 9.054 ( 0.000 -10.553 -4.909) 11.639 9.054 ( 0.000 10.553 -4.909) 11.639 10.052 ( 0.000 -15.516 10.894) 18.959 10.052 ( 0.000 15.516 10.894) 18.959 10.308 ( 0.000 -15.713 1.789) 15.815 10.308 ( 0.000 15.713 1.789) 15.815 10.427 ( 0.000 -3.917 2.831) 4.833 10.427 ( 0.000 3.917 2.831) 4.833 10.700 ( 0.000 -4.112 -7.867) 8.877 10.700 ( 0.000 4.112 -7.867) 8.877 10.867 ( 0.000 -3.118 5.280) 6.132 10.867 ( 0.000 3.118 5.280) 6.132 11.075 ( 0.000 -2.444 -7.975) 8.341 11.075 ( 0.000 2.444 -7.975) 8.341 11.618 ( 0.000 -1.144 1.909) 2.226 11.618 ( 0.000 1.144 1.909) 2.226 11.693 ( 0.000 -0.445 -4.294) 4.317 11.693 ( 0.000 0.445 -4.294) 4.317 12.264 ( 0.000 -18.974 4.986) 19.618 12.264 ( 0.000 18.974 4.986) 19.618 12.436 ( 0.000 -13.411 -7.755) 15.491 12.436 ( 0.000 13.411 -7.755) 15.491 12.629 ( 0.000 -7.689 8.688) 11.602 12.629 ( 0.000 7.689 8.688) 11.602 12.765 ( 0.000 -2.231 1.347) 2.606 12.765 ( 0.000 2.231 1.347) 2.606 13.023 ( 0.000 -5.654 1.053) 5.751 13.023 ( 0.000 5.654 1.053) 5.751 13.255 ( 0.000 -0.471 -14.600) 14.607 13.255 ( 0.000 0.471 -14.600) 14.607 13.769 ( 0.000 -9.294 5.293) 10.695 13.769 ( 0.000 9.294 5.293) 10.695 13.810 ( 0.000 -1.818 3.570) 4.006 13.810 ( 0.000 1.818 3.570) 4.006 14.233 ( 0.000 -3.057 0.575) 3.110 14.233 ( 0.000 3.057 0.575) 3.110 14.273 ( 0.000 -0.554 -1.579) 1.673 14.273 ( 0.000 0.554 -1.579) 1.673 15.998 ( 0.000 -11.005 6.309) 12.685 15.998 ( 0.000 11.005 6.309) 12.685 16.173 ( 0.000 -8.853 -8.183) 12.056 16.173 ( 0.000 8.853 -8.183) 12.056 16.453 ( 0.000 -3.010 1.869) 3.543 16.453 ( 0.000 3.010 1.869) 3.543 16.467 ( 0.000 -2.468 0.253) 2.481 16.467 ( 0.000 2.468 0.253) 2.481 18.256 ( 0.000 -10.722 2.920) 11.112 18.256 ( 0.000 10.722 2.920) 11.112 18.328 ( 0.000 -10.217 -2.825) 10.600 18.328 ( 0.000 10.217 -2.825) 10.600 21.226 ( 0.000 -28.351 4.346) 28.682 21.226 ( 0.000 28.351 4.346) 28.682 21.331 ( 0.000 -27.193 -4.088) 27.498 21.331 ( 0.000 27.193 -4.088) 27.498 23.381 ( 0.000 -9.604 0.665) 9.627 23.381 ( 0.000 9.604 0.665) 9.627 23.403 ( 0.000 -7.186 -1.115) 7.272 23.403 ( 0.000 7.186 -1.115) 7.272 28.353 ( 0.000 -5.089 1.222) 5.234 28.353 ( 0.000 5.089 1.222) 5.234 28.389 ( 0.000 -3.760 -1.649) 4.106 28.389 ( 0.000 3.760 -1.649) 4.106 29.567 ( 0.000 -5.012 6.788) 8.438 29.567 ( 0.000 5.012 6.788) 8.438 29.710 ( 0.000 -4.095 -3.885) 5.644 29.710 ( 0.000 4.095 -3.885) 5.644 30.054 ( 0.000 -8.963 2.390) 9.276 30.054 ( 0.000 8.963 2.390) 9.276 30.187 ( 0.000 -11.504 -8.211) 14.134 30.187 ( 0.000 11.504 -8.211) 14.134 30.919 ( 0.000 -17.027 11.635) 20.622 30.919 ( 0.000 17.027 11.635) 20.622 31.180 ( 0.000 -19.243 -9.944) 21.661 31.180 ( 0.000 19.243 -9.944) 21.661 34.125 ( 0.000 -13.846 11.363) 17.912 34.125 ( 0.000 13.846 11.363) 17.912 34.386 ( 0.000 -20.742 -9.601) 22.856 34.386 ( 0.000 20.742 -9.601) 22.856 ======================= Grid point 146 (57/60) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.069 ( -6.219 -0.000 2.353) 6.649 3.127 ( 5.406 0.000 7.674) 9.387 3.140 ( -5.874 -0.000 6.959) 9.107 3.331 ( -7.227 0.000 -20.134) 21.392 3.383 ( 2.922 -0.000 -13.464) 13.778 3.434 ( -7.355 0.000 -16.575) 18.133 3.863 ( 0.594 -0.000 16.613) 16.623 4.016 ( 0.544 0.000 8.316) 8.334 4.331 ( 23.109 0.000 -1.574) 23.162 4.408 ( 5.152 0.000 15.292) 16.136 4.552 ( 2.662 -0.000 -11.910) 12.204 4.650 ( 0.801 0.000 -4.152) 4.229 5.188 ( -13.108 -0.000 20.518) 24.348 5.753 ( 10.507 0.000 19.961) 22.558 5.782 ( 6.517 -0.000 18.612) 19.720 5.832 ( -19.202 0.000 -28.667) 34.504 6.020 ( 16.298 -0.000 12.244) 20.385 6.317 ( 5.003 0.000 -24.496) 25.002 6.384 ( 18.628 0.000 1.600) 18.696 6.756 ( 22.934 -0.000 -11.576) 25.690 7.070 ( -12.144 0.000 5.588) 13.368 7.316 ( 2.328 0.000 9.813) 10.085 7.408 ( -16.764 0.000 -18.393) 24.887 7.494 ( -0.519 -0.000 -1.510) 1.597 7.885 ( 9.537 0.000 7.879) 12.370 8.123 ( 12.413 0.000 1.152) 12.467 8.207 ( 4.054 0.000 -14.937) 15.477 8.336 ( 9.101 0.000 -12.407) 15.387 8.753 ( -4.354 0.000 10.445) 11.316 8.992 ( -1.857 -0.000 -10.436) 10.600 9.059 ( 10.266 -0.000 13.160) 16.691 9.143 ( 4.669 0.000 0.986) 4.772 9.958 ( -5.598 0.000 9.906) 11.378 10.038 ( -6.331 -0.000 10.239) 12.038 10.232 ( -8.022 0.000 -11.872) 14.329 10.241 ( -4.409 -0.000 9.743) 10.694 10.355 ( -3.253 0.000 15.341) 15.682 10.504 ( -0.361 -0.000 -8.730) 8.737 10.628 ( -1.984 -0.000 4.348) 4.779 10.682 ( -4.211 0.000 -10.043) 10.890 10.686 ( -11.066 -0.000 -0.324) 11.070 10.897 ( -0.394 0.000 13.637) 13.642 10.980 ( -5.655 -0.000 -14.108) 15.199 11.175 ( 2.894 0.000 -7.799) 8.319 11.584 ( -5.613 -0.000 2.493) 6.141 11.591 ( -2.170 0.000 3.067) 3.757 11.657 ( -4.404 0.000 -2.263) 4.951 11.674 ( -1.565 -0.000 -3.933) 4.233 12.155 ( -12.665 0.000 -0.258) 12.668 12.196 ( -3.771 0.000 3.629) 5.234 12.207 ( -6.514 -0.000 -5.017) 8.222 12.356 ( -11.698 0.000 -4.333) 12.475 12.673 ( -0.367 0.000 5.845) 5.857 12.683 ( 3.143 -0.000 11.689) 12.104 12.779 ( 6.664 0.000 -3.160) 7.375 12.927 ( 2.398 0.000 -9.553) 9.849 13.010 ( 4.118 -0.000 9.113) 10.001 13.047 ( 2.576 0.000 4.813) 5.459 13.281 ( 2.639 -0.000 -13.029) 13.293 13.302 ( 3.771 0.000 -14.502) 14.985 13.727 ( -2.271 0.000 3.906) 4.518 13.745 ( -1.130 -0.000 1.705) 2.046 13.849 ( 5.090 -0.000 7.458) 9.029 13.915 ( 5.743 0.000 4.433) 7.255 14.223 ( 1.168 0.000 -0.683) 1.353 14.274 ( 1.311 -0.000 -2.505) 2.827 14.289 ( 3.116 0.000 0.646) 3.182 14.313 ( 2.957 0.000 -0.637) 3.025 15.844 ( -11.740 0.000 3.637) 12.290 15.993 ( -13.477 -0.000 -8.635) 16.006 16.015 ( -2.287 0.000 9.220) 9.500 16.224 ( -1.234 -0.000 -8.290) 8.381 16.347 ( -6.227 0.000 4.835) 7.884 16.432 ( -2.819 0.000 -2.774) 3.955 16.472 ( 1.108 -0.000 2.627) 2.851 16.504 ( 1.731 -0.000 -0.126) 1.735 18.243 ( -0.785 0.000 3.106) 3.203 18.245 ( -0.710 -0.000 2.999) 3.082 18.319 ( -0.465 0.000 -2.920) 2.957 18.320 ( -0.412 -0.000 -3.014) 3.042 21.257 ( 3.914 -0.000 3.492) 5.246 21.292 ( 5.001 0.000 4.391) 6.655 21.355 ( 3.088 -0.000 -4.275) 5.273 21.389 ( 4.196 0.000 -3.330) 5.357 23.404 ( 2.543 -0.000 0.416) 2.577 23.411 ( 2.935 0.000 0.607) 2.997 23.421 ( 2.071 -0.000 -0.933) 2.271 23.429 ( 2.460 0.000 -0.751) 2.572 28.348 ( 0.160 0.000 0.793) 0.809 28.372 ( 1.177 -0.000 1.565) 1.958 28.380 ( -0.079 -0.000 -1.846) 1.847 28.408 ( 1.103 -0.000 -1.284) 1.693 29.547 ( -0.862 -0.000 4.447) 4.529 29.577 ( -0.137 0.000 7.962) 7.964 29.634 ( -3.311 0.000 -3.039) 4.494 29.793 ( 3.178 -0.000 -7.936) 8.549 29.904 ( -6.331 -0.000 6.596) 9.143 30.140 ( -0.220 -0.000 -11.524) 11.526 30.170 ( 4.263 0.000 5.105) 6.651 30.308 ( 6.957 0.000 -6.918) 9.811 30.845 ( -3.550 0.000 10.279) 10.875 30.979 ( 2.161 -0.000 11.448) 11.651 31.101 ( -4.649 0.000 -10.901) 11.851 31.210 ( 0.009 -0.000 -7.678) 7.678 34.106 ( -1.221 -0.000 10.369) 10.440 34.128 ( -0.327 0.000 10.742) 10.747 34.352 ( -2.870 -0.000 -9.318) 9.750 34.370 ( -2.129 0.000 -8.699) 8.956 ======================= Grid point 148 (58/60) ======================= q-point: ( 0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.918 ( -2.055 0.000 0.318) 2.080 3.163 ( -4.106 0.000 -18.525) 18.975 3.224 ( 7.058 0.000 3.708) 7.973 3.265 ( 7.978 -0.000 4.733) 9.276 3.434 ( 1.884 -0.000 -14.716) 14.836 3.455 ( 3.608 0.000 -10.747) 11.336 3.728 ( -6.184 -0.000 21.753) 22.615 4.007 ( -4.106 0.000 -0.023) 4.106 4.402 ( -12.613 0.001 19.341) 23.090 4.415 ( -3.581 -0.000 14.409) 14.848 4.622 ( -3.350 0.000 -3.957) 5.185 4.719 ( 5.072 0.000 -7.487) 9.043 5.305 ( 18.081 -0.000 -2.097) 18.202 5.555 ( -3.813 0.000 -15.879) 16.331 5.966 ( 14.182 0.000 4.488) 14.875 6.072 ( 18.138 -0.000 15.990) 24.180 6.306 ( 7.780 0.000 11.845) 14.171 6.375 ( 1.319 -0.000 -24.646) 24.681 6.521 ( -0.779 0.000 10.335) 10.364 6.970 ( -12.419 0.000 -10.150) 16.039 7.155 ( 20.906 0.000 0.347) 20.909 7.282 ( 18.861 -0.000 -6.535) 19.961 7.443 ( 10.487 -0.000 11.470) 15.542 7.601 ( 11.589 -0.000 -0.053) 11.589 8.057 ( 6.159 -0.000 0.718) 6.201 8.300 ( 4.144 -0.000 -14.890) 15.456 8.301 ( 5.400 0.000 2.517) 5.957 8.517 ( 8.273 0.000 -13.168) 15.552 8.703 ( -0.671 0.000 7.652) 7.681 8.997 ( 2.710 -0.000 -16.330) 16.554 9.221 ( 4.060 0.000 12.111) 12.773 9.247 ( 6.294 0.000 9.562) 11.448 9.812 ( -14.104 0.000 4.970) 14.954 9.844 ( -6.033 -0.000 8.880) 10.736 10.062 ( -8.628 0.000 -9.117) 12.553 10.113 ( -10.148 -0.000 -1.572) 10.269 10.242 ( -8.039 -0.000 13.711) 15.894 10.383 ( -8.451 0.000 -3.961) 9.333 10.483 ( -9.851 0.000 -2.845) 10.254 10.542 ( -9.965 0.000 -6.227) 11.751 10.665 ( 1.446 -0.000 10.349) 10.450 10.874 ( -2.077 0.000 -8.118) 8.380 10.885 ( -0.453 -0.000 8.884) 8.895 11.161 ( -4.480 0.000 -9.768) 10.746 11.378 ( -13.184 -0.000 12.486) 18.158 11.477 ( -9.329 0.000 2.457) 9.647 11.541 ( -7.620 0.000 -2.821) 8.126 11.636 ( -2.291 -0.000 -5.305) 5.779 11.997 ( -3.513 0.000 -1.616) 3.867 12.078 ( -6.360 0.000 -7.650) 9.949 12.150 ( -2.935 -0.000 -2.182) 3.657 12.201 ( -0.714 0.000 -4.055) 4.117 12.633 ( -3.930 0.000 9.226) 10.028 12.717 ( 0.113 -0.000 10.488) 10.489 12.795 ( -3.910 0.000 -4.693) 6.108 12.903 ( -1.525 0.000 -3.436) 3.760 13.150 ( 7.316 -0.000 3.844) 8.265 13.164 ( 8.218 0.000 5.819) 10.069 13.329 ( 1.864 0.000 -9.128) 9.316 13.407 ( 7.133 0.000 -13.146) 14.956 13.682 ( -2.368 0.000 3.939) 4.596 13.748 ( 0.876 0.000 -2.420) 2.574 13.955 ( 5.223 -0.000 7.987) 9.543 14.023 ( 4.940 0.000 4.730) 6.839 14.272 ( 3.338 0.000 -1.201) 3.548 14.322 ( 3.222 0.000 -2.649) 4.171 14.340 ( 1.919 -0.000 1.569) 2.479 14.377 ( 2.985 -0.000 -1.070) 3.171 15.559 ( -16.240 0.000 0.455) 16.246 15.672 ( -17.719 0.000 -8.657) 19.721 15.884 ( -11.588 0.000 10.360) 15.544 16.040 ( -14.363 -0.000 -0.397) 14.369 16.307 ( -0.009 0.000 0.466) 0.466 16.403 ( 0.895 -0.000 -5.418) 5.491 16.495 ( 0.706 0.000 3.439) 3.511 16.537 ( 1.485 -0.000 -0.189) 1.497 18.245 ( 1.268 0.001 3.233) 3.473 18.246 ( 1.033 -0.001 3.082) 3.250 18.323 ( 1.055 0.000 -3.145) 3.317 18.327 ( 1.195 -0.000 -3.208) 3.423 21.350 ( 4.790 -0.000 2.573) 5.437 21.390 ( 4.390 0.000 3.656) 5.713 21.428 ( 3.769 -0.000 -3.654) 5.250 21.468 ( 3.422 0.000 -2.582) 4.287 23.476 ( 4.514 0.000 0.043) 4.514 23.483 ( 4.144 0.000 -0.547) 4.180 23.490 ( 4.825 0.000 0.390) 4.840 23.497 ( 4.324 -0.000 -0.152) 4.327 28.359 ( 0.929 0.000 0.434) 1.025 28.385 ( 0.556 0.000 -1.745) 1.832 28.396 ( 1.100 -0.000 1.612) 1.951 28.428 ( 0.798 0.000 -0.904) 1.206 29.538 ( -0.098 -0.000 2.432) 2.434 29.564 ( -1.020 0.000 6.418) 6.499 29.582 ( -2.031 0.000 -1.885) 2.771 29.733 ( -5.881 0.000 -4.865) 7.632 29.920 ( 4.710 -0.000 5.655) 7.360 30.171 ( 3.053 -0.000 -13.033) 13.386 30.221 ( 0.973 0.000 8.634) 8.689 30.427 ( 4.442 0.000 -8.623) 9.700 30.793 ( -1.408 0.000 8.718) 8.831 30.999 ( -0.113 -0.000 10.092) 10.093 31.015 ( -3.605 0.000 -9.889) 10.526 31.182 ( -2.626 -0.000 -5.060) 5.700 34.082 ( -1.048 -0.000 8.066) 8.134 34.114 ( -0.979 0.000 8.657) 8.712 34.281 ( -4.164 -0.000 -7.767) 8.812 34.307 ( -4.051 0.000 -6.879) 7.983 ======================= Grid point 150 (59/60) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.989 ( 7.872 0.000 1.451) 8.005 3.190 ( 6.721 0.000 -11.454) 13.280 3.384 ( 2.213 0.004 1.389) 2.613 3.385 ( 7.754 -0.004 -4.091) 8.768 3.477 ( -1.407 -0.000 -5.175) 5.363 3.482 ( 4.551 0.001 -10.463) 11.410 3.703 ( 2.302 -0.000 17.565) 17.715 3.935 ( -1.766 0.000 2.918) 3.411 4.147 ( -10.006 0.000 12.710) 16.176 4.306 ( -6.888 -0.000 13.684) 15.320 4.531 ( -5.768 0.000 -6.323) 8.559 4.586 ( -15.093 -0.000 -20.999) 25.860 5.354 ( -2.344 0.000 20.193) 20.329 5.883 ( 18.163 0.000 -22.823) 29.168 5.940 ( -20.699 -0.000 26.302) 33.470 6.333 ( 21.245 0.000 -1.777) 21.319 6.492 ( -5.039 0.001 -14.945) 15.772 6.508 ( 17.321 -0.001 -13.444) 21.926 6.690 ( 15.882 0.000 7.660) 17.633 6.895 ( 16.344 -0.000 -1.261) 16.392 7.599 ( 18.550 0.000 8.132) 20.254 7.680 ( 16.722 -0.000 -0.174) 16.723 7.686 ( 13.290 -0.000 10.625) 17.015 7.887 ( 14.515 -0.000 -4.647) 15.241 8.120 ( 3.211 -0.000 1.796) 3.680 8.335 ( -1.625 0.000 8.886) 9.033 8.343 ( 0.517 -0.000 -15.375) 15.384 8.612 ( 0.381 0.000 -13.429) 13.435 8.718 ( 1.308 0.000 7.563) 7.675 9.097 ( 7.096 -0.000 -22.123) 23.233 9.167 ( -12.459 0.000 25.303) 28.204 9.320 ( 3.341 0.000 10.727) 11.235 9.651 ( -0.358 0.000 -9.963) 9.970 9.707 ( -8.510 -0.000 11.030) 13.931 9.829 ( -17.472 0.000 -20.765) 27.138 9.910 ( -6.732 -0.000 -7.607) 10.158 10.092 ( -5.429 -0.000 9.468) 10.914 10.235 ( -6.351 0.000 3.568) 7.285 10.302 ( -8.296 0.000 -0.813) 8.336 10.323 ( -10.990 0.000 -5.519) 12.298 10.633 ( -1.915 0.000 17.324) 17.429 10.865 ( -2.621 -0.000 1.417) 2.980 10.944 ( 5.475 0.000 -8.003) 9.697 10.999 ( -9.956 0.000 -6.573) 11.931 11.203 ( -3.612 -0.000 20.834) 21.145 11.275 ( -9.462 0.000 4.995) 10.699 11.390 ( -6.132 -0.000 -5.240) 8.065 11.574 ( -4.504 -0.000 -6.676) 8.053 11.971 ( -1.967 0.000 -6.854) 7.131 11.981 ( -0.677 0.000 -4.543) 4.593 12.116 ( -1.462 0.000 0.876) 1.705 12.213 ( -0.926 0.000 -7.328) 7.386 12.551 ( -2.922 0.000 9.225) 9.676 12.696 ( -1.999 -0.000 10.882) 11.064 12.712 ( -2.609 0.000 -5.111) 5.739 12.873 ( -2.100 -0.000 -2.630) 3.366 13.282 ( 6.102 -0.000 1.482) 6.280 13.319 ( 6.696 0.000 7.135) 9.785 13.358 ( 1.690 0.000 -4.591) 4.892 13.571 ( 8.709 0.000 -12.381) 15.137 13.628 ( -2.740 0.000 5.369) 6.028 13.778 ( 2.691 0.000 -7.107) 7.600 14.029 ( 1.351 -0.000 5.458) 5.623 14.089 ( 1.128 0.000 2.242) 2.509 14.330 ( 2.183 0.000 1.009) 2.405 14.358 ( -0.064 0.000 3.038) 3.038 14.367 ( 0.344 -0.000 -0.587) 0.680 14.413 ( 0.579 -0.000 -1.241) 1.369 15.278 ( -9.970 0.000 -1.055) 10.025 15.375 ( -10.902 0.000 -8.804) 14.012 15.607 ( -14.692 0.000 8.754) 17.102 15.736 ( -15.925 -0.000 -0.793) 15.945 16.336 ( 3.068 0.000 2.387) 3.887 16.442 ( 2.280 -0.000 -5.086) 5.574 16.495 ( -0.628 0.000 4.202) 4.249 16.550 ( -0.365 0.000 -0.658) 0.753 18.282 ( 2.336 0.000 2.785) 3.635 18.286 ( 2.466 -0.000 2.945) 3.842 18.355 ( 1.951 0.000 -3.065) 3.633 18.361 ( 1.955 -0.000 -2.982) 3.566 21.426 ( 2.769 0.000 2.140) 3.500 21.452 ( 1.886 -0.000 2.862) 3.427 21.488 ( 2.276 0.000 -2.861) 3.656 21.515 ( 1.380 -0.000 -2.169) 2.571 23.567 ( 4.391 0.000 0.020) 4.391 23.573 ( 4.555 0.000 -0.451) 4.578 23.582 ( 4.110 -0.000 0.350) 4.125 23.587 ( 4.401 -0.000 -0.008) 4.401 28.382 ( 1.322 -0.000 0.173) 1.333 28.399 ( 0.781 -0.000 -1.295) 1.512 28.412 ( 0.585 0.000 1.232) 1.364 28.437 ( 0.047 0.000 -0.606) 0.607 29.539 ( -0.080 -0.000 1.027) 1.030 29.545 ( -0.792 -0.000 3.904) 3.983 29.556 ( -0.423 0.000 -0.519) 0.670 29.637 ( -3.733 0.000 -1.918) 4.197 30.014 ( 4.696 0.000 5.211) 7.015 30.212 ( -1.629 -0.000 9.548) 9.686 30.246 ( 4.294 0.000 -12.919) 13.614 30.464 ( -0.734 -0.000 -11.583) 11.607 30.797 ( 1.795 0.000 8.484) 8.671 30.975 ( -0.441 -0.000 -7.132) 7.146 30.976 ( -2.137 0.000 8.578) 8.840 31.117 ( -3.753 -0.000 -3.207) 4.937 34.070 ( -0.017 -0.000 5.029) 5.029 34.096 ( -0.649 0.000 5.564) 5.601 34.198 ( -4.022 -0.000 -5.140) 6.526 34.221 ( -4.526 0.000 -4.419) 6.326 ======================= Grid point 152 (60/60) ======================= q-point: ( 0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.164 ( 9.037 -0.000 4.468) 10.081 3.324 ( -6.804 0.000 3.487) 7.646 3.391 ( 11.972 0.000 -4.474) 12.781 3.451 ( 1.306 0.001 -3.285) 3.535 3.457 ( -0.517 -0.001 -5.152) 5.178 3.629 ( -10.235 -0.000 12.027) 15.792 3.706 ( 16.468 0.000 -12.867) 20.899 3.988 ( 1.272 0.000 -5.459) 5.605 4.033 ( -3.589 0.000 6.050) 7.035 4.160 ( -7.765 -0.000 11.818) 14.141 4.319 ( -4.847 0.000 -15.916) 16.637 4.400 ( -7.399 -0.000 -8.506) 11.274 5.368 ( 4.825 0.000 30.598) 30.976 5.568 ( -15.527 -0.000 30.947) 34.624 6.077 ( 6.630 0.000 -30.590) 31.300 6.251 ( -11.756 -0.000 -27.178) 29.612 6.812 ( 24.246 0.000 2.350) 24.360 6.919 ( 18.400 0.000 -5.923) 19.330 7.027 ( 8.078 -0.000 5.970) 10.045 7.122 ( -0.585 -0.000 -2.085) 2.166 7.786 ( 6.392 0.000 13.733) 15.148 7.904 ( 7.207 0.001 2.706) 7.698 7.905 ( 6.759 -0.001 7.575) 10.152 7.986 ( -7.280 0.000 3.810) 8.216 8.274 ( 8.073 0.000 -2.244) 8.380 8.320 ( 1.843 -0.000 3.577) 4.023 8.378 ( 4.803 0.000 -12.416) 13.313 8.521 ( -8.315 -0.000 -11.033) 13.815 8.742 ( 2.505 0.000 13.665) 13.893 8.888 ( -12.495 0.000 20.140) 23.701 9.258 ( 9.332 -0.000 -26.403) 28.003 9.395 ( 4.236 0.000 11.463) 12.221 9.494 ( -14.110 0.000 -24.021) 27.858 9.529 ( -8.390 -0.000 14.464) 16.721 9.708 ( 3.699 0.000 -11.465) 12.047 9.795 ( -5.185 -0.000 -8.691) 10.120 10.056 ( 1.029 -0.000 4.262) 4.385 10.121 ( -5.359 0.000 4.056) 6.720 10.175 ( -3.000 -0.000 -4.451) 5.367 10.186 ( -3.187 0.000 -1.654) 3.591 10.653 ( 4.115 0.000 16.308) 16.819 10.768 ( -6.479 0.000 8.230) 10.475 10.870 ( -2.026 -0.000 -1.113) 2.311 10.925 ( -5.974 0.000 -4.877) 7.711 11.205 ( 2.461 0.000 9.342) 9.660 11.233 ( 1.974 -0.000 1.965) 2.785 11.327 ( 1.625 -0.000 -2.332) 2.842 11.453 ( -7.600 -0.000 -5.319) 9.276 11.956 ( 2.117 0.000 -1.252) 2.460 12.033 ( 4.479 0.000 -8.016) 9.183 12.043 ( -5.549 0.000 1.353) 5.712 12.139 ( -5.664 0.000 -7.439) 9.350 12.557 ( 3.265 0.000 9.033) 9.605 12.638 ( -3.987 -0.000 10.220) 10.970 12.728 ( 3.594 0.000 -5.905) 6.913 12.811 ( -4.138 -0.000 -4.149) 5.860 13.363 ( 2.334 0.000 2.576) 3.476 13.390 ( 0.346 0.000 6.624) 6.633 13.434 ( 5.797 0.000 -1.910) 6.103 13.543 ( -4.877 0.000 -1.272) 5.040 13.770 ( 10.508 0.000 -2.957) 10.916 13.881 ( 7.829 0.000 -8.632) 11.653 13.966 ( -7.927 0.000 0.800) 7.968 14.038 ( -6.506 0.000 -3.946) 7.609 14.345 ( -1.059 0.000 3.928) 4.069 14.346 ( -0.792 -0.000 4.589) 4.657 14.366 ( 1.863 0.000 1.657) 2.494 14.402 ( -1.489 -0.000 -0.058) 1.490 15.228 ( 4.000 0.000 -0.391) 4.019 15.284 ( 1.920 0.000 -5.073) 5.424 15.363 ( -9.643 0.000 4.310) 10.562 15.446 ( -12.931 -0.000 -1.897) 13.070 16.411 ( 3.953 -0.000 2.695) 4.784 16.471 ( -1.973 0.000 3.318) 3.861 16.482 ( 1.936 -0.000 -2.782) 3.390 16.523 ( -2.133 0.000 -1.069) 2.386 18.321 ( 1.279 0.000 2.507) 2.815 18.324 ( 1.043 -0.000 2.579) 2.782 18.388 ( 1.059 0.000 -2.783) 2.978 18.390 ( 0.804 -0.000 -2.712) 2.829 21.461 ( 1.012 0.000 2.196) 2.418 21.470 ( 0.120 -0.000 2.433) 2.436 21.519 ( 0.941 0.000 -2.416) 2.593 21.527 ( 0.031 -0.000 -2.188) 2.188 23.633 ( 2.056 0.000 0.270) 2.073 23.639 ( 1.439 -0.000 0.422) 1.499 23.642 ( 2.146 0.000 -0.468) 2.196 23.648 ( 1.580 -0.000 -0.293) 1.607 28.407 ( 1.137 -0.000 -0.018) 1.137 28.413 ( 0.676 -0.000 -0.563) 0.880 28.418 ( -0.062 0.000 0.482) 0.486 28.430 ( -0.735 0.000 -0.382) 0.828 29.533 ( -0.197 -0.000 1.180) 1.196 29.534 ( -0.293 -0.000 2.173) 2.193 29.563 ( 0.762 0.000 -0.315) 0.825 29.585 ( -1.718 0.000 -0.814) 1.901 30.099 ( 3.886 0.000 6.432) 7.515 30.166 ( -2.952 -0.000 8.184) 8.700 30.332 ( 4.414 0.000 -12.653) 13.401 30.414 ( -3.753 -0.000 -12.556) 13.105 30.852 ( 3.432 0.000 8.035) 8.738 30.921 ( -3.362 0.000 7.855) 8.545 30.992 ( 1.998 -0.000 -4.460) 4.887 31.046 ( -3.316 0.000 -2.995) 4.468 34.086 ( 1.624 -0.000 1.806) 2.428 34.096 ( 0.675 0.000 2.011) 2.121 34.132 ( -2.557 -0.000 -1.843) 3.152 34.140 ( -3.434 0.000 -1.564) 3.773 =================== 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 3/29160 10.0 3849.848 2155.123 1518.532 0.000 0.000 0.000 3/29160 20.0 950.126 904.438 531.536 0.000 0.000 0.000 3/29160 30.0 371.677 383.588 243.034 0.000 0.000 0.000 3/29160 40.0 199.307 212.604 141.236 0.000 0.000 0.000 3/29160 50.0 125.497 136.596 92.964 0.000 0.000 0.000 3/29160 60.0 86.702 95.855 65.851 0.000 0.000 -0.000 3/29160 70.0 63.593 71.266 49.038 0.000 0.000 -0.000 3/29160 80.0 48.684 55.222 37.929 0.000 0.000 -0.000 3/29160 90.0 38.545 44.187 30.259 0.000 0.000 -0.000 3/29160 100.0 31.382 36.301 24.782 0.000 0.000 -0.000 3/29160 110.0 26.165 30.493 20.758 0.000 0.000 -0.000 3/29160 120.0 22.264 26.108 17.728 0.000 0.000 -0.000 3/29160 130.0 19.280 22.722 15.395 0.000 0.000 -0.000 3/29160 140.0 16.950 20.055 13.562 0.000 0.000 -0.000 3/29160 150.0 15.095 17.919 12.096 0.000 0.000 -0.000 3/29160 160.0 13.593 16.179 10.903 0.000 0.000 -0.000 3/29160 170.0 12.359 14.741 9.918 0.000 0.000 -0.000 3/29160 180.0 11.331 13.539 9.094 0.000 0.000 -0.000 3/29160 190.0 10.464 12.521 8.397 0.000 0.000 -0.000 3/29160 200.0 9.724 11.650 7.800 0.000 0.000 -0.000 3/29160 210.0 9.086 10.898 7.284 0.000 0.000 -0.000 3/29160 220.0 8.532 10.242 6.835 0.000 0.000 -0.000 3/29160 230.0 8.046 9.666 6.440 0.000 0.000 -0.000 3/29160 240.0 7.617 9.157 6.090 0.000 0.000 -0.000 3/29160 250.0 7.234 8.704 5.779 0.000 0.000 -0.000 3/29160 260.0 6.892 8.297 5.500 0.000 0.000 -0.000 3/29160 270.0 6.584 7.931 5.248 0.000 0.000 -0.000 3/29160 280.0 6.306 7.600 5.021 0.000 0.000 -0.000 3/29160 290.0 6.052 7.298 4.814 0.000 0.000 -0.000 3/29160 300.0 5.820 7.022 4.625 0.000 0.000 -0.000 3/29160 310.0 5.607 6.769 4.452 0.000 0.000 -0.000 3/29160 320.0 5.412 6.535 4.292 0.000 0.000 -0.000 3/29160 330.0 5.230 6.320 4.145 0.000 0.000 -0.000 3/29160 340.0 5.062 6.119 4.008 0.000 0.000 -0.000 3/29160 350.0 4.906 5.933 3.881 0.000 0.000 -0.000 3/29160 360.0 4.760 5.759 3.763 0.000 0.000 -0.000 3/29160 370.0 4.624 5.596 3.653 0.000 0.000 -0.000 3/29160 380.0 4.496 5.443 3.549 0.000 0.000 -0.000 3/29160 390.0 4.375 5.300 3.452 0.000 0.000 -0.000 3/29160 400.0 4.262 5.164 3.360 0.000 0.000 -0.000 3/29160 410.0 4.155 5.036 3.274 0.000 0.000 -0.000 3/29160 420.0 4.054 4.915 3.192 0.000 0.000 -0.000 3/29160 430.0 3.958 4.800 3.115 0.000 0.000 -0.000 3/29160 440.0 3.866 4.691 3.042 0.000 0.000 -0.000 3/29160 450.0 3.780 4.587 2.973 0.000 0.000 -0.000 3/29160 460.0 3.697 4.488 2.906 0.000 0.000 -0.000 3/29160 470.0 3.618 4.394 2.843 0.000 0.000 -0.000 3/29160 480.0 3.543 4.304 2.783 0.000 0.000 -0.000 3/29160 490.0 3.471 4.218 2.726 0.000 0.000 -0.000 3/29160 500.0 3.402 4.135 2.671 0.000 0.000 -0.000 3/29160 510.0 3.336 4.056 2.618 0.000 0.000 -0.000 3/29160 520.0 3.273 3.980 2.568 0.000 0.000 -0.000 3/29160 530.0 3.212 3.907 2.520 0.000 0.000 -0.000 3/29160 540.0 3.154 3.836 2.473 0.000 0.000 -0.000 3/29160 550.0 3.098 3.769 2.428 0.000 0.000 -0.000 3/29160 560.0 3.043 3.703 2.385 0.000 0.000 -0.000 3/29160 570.0 2.991 3.640 2.344 0.000 0.000 -0.000 3/29160 580.0 2.941 3.580 2.304 0.000 0.000 -0.000 3/29160 590.0 2.892 3.521 2.266 0.000 0.000 -0.000 3/29160 600.0 2.845 3.464 2.228 0.000 0.000 -0.000 3/29160 610.0 2.800 3.410 2.192 0.000 0.000 -0.000 3/29160 620.0 2.756 3.357 2.158 0.000 0.000 -0.000 3/29160 630.0 2.713 3.305 2.124 0.000 0.000 -0.000 3/29160 640.0 2.672 3.256 2.091 0.000 0.000 -0.000 3/29160 650.0 2.632 3.207 2.060 0.000 0.000 -0.000 3/29160 660.0 2.593 3.161 2.029 0.000 0.000 -0.000 3/29160 670.0 2.556 3.115 2.000 0.000 0.000 -0.000 3/29160 680.0 2.519 3.071 1.971 0.000 0.000 -0.000 3/29160 690.0 2.484 3.028 1.943 0.000 0.000 -0.000 3/29160 700.0 2.449 2.987 1.916 0.000 0.000 -0.000 3/29160 710.0 2.416 2.946 1.890 0.000 0.000 -0.000 3/29160 720.0 2.383 2.907 1.864 0.000 0.000 -0.000 3/29160 730.0 2.352 2.868 1.839 0.000 0.000 -0.000 3/29160 740.0 2.321 2.831 1.815 0.000 0.000 -0.000 3/29160 750.0 2.291 2.795 1.791 0.000 0.000 -0.000 3/29160 760.0 2.262 2.759 1.768 0.000 0.000 -0.000 3/29160 770.0 2.233 2.725 1.746 0.000 0.000 -0.000 3/29160 780.0 2.205 2.691 1.724 0.000 0.000 -0.000 3/29160 790.0 2.178 2.658 1.703 0.000 0.000 -0.000 3/29160 800.0 2.152 2.626 1.682 0.000 0.000 -0.000 3/29160 810.0 2.126 2.595 1.662 0.000 0.000 -0.000 3/29160 820.0 2.101 2.564 1.642 0.000 0.000 -0.000 3/29160 830.0 2.076 2.535 1.623 0.000 0.000 -0.000 3/29160 840.0 2.052 2.506 1.604 0.000 0.000 -0.000 3/29160 850.0 2.029 2.477 1.586 0.000 0.000 -0.000 3/29160 860.0 2.006 2.449 1.568 0.000 0.000 -0.000 3/29160 870.0 1.983 2.422 1.550 0.000 0.000 -0.000 3/29160 880.0 1.962 2.395 1.533 0.000 0.000 -0.000 3/29160 890.0 1.940 2.369 1.516 0.000 0.000 -0.000 3/29160 900.0 1.919 2.344 1.500 0.000 0.000 -0.000 3/29160 910.0 1.899 2.319 1.484 0.000 0.000 -0.000 3/29160 920.0 1.879 2.295 1.468 0.000 0.000 -0.000 3/29160 930.0 1.859 2.271 1.452 0.000 0.000 -0.000 3/29160 940.0 1.840 2.247 1.437 0.000 0.000 -0.000 3/29160 950.0 1.821 2.224 1.423 0.000 0.000 -0.000 3/29160 960.0 1.802 2.202 1.408 0.000 0.000 -0.000 3/29160 970.0 1.784 2.180 1.394 0.000 0.000 -0.000 3/29160 980.0 1.767 2.158 1.380 0.000 0.000 -0.000 3/29160 990.0 1.749 2.137 1.366 0.000 0.000 -0.000 3/29160 1000.0 1.732 2.117 1.353 0.000 0.000 -0.000 3/29160 Thermal conductivity related properties were written into "kappa-m9103.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:50:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|