----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:19:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnna (52) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.197809800000002 0.000000000000000 0.000000000000000 b 0.000000000000000 10.493423070000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.018717179999999 Atomic positions (fractional): *1 N 0.48007829630941 0.40422925687174 0.67171081770460 14.007 2 N 0.48007829630941 0.09577074312826 0.82828918229540 14.007 3 N 0.01992170369059 0.59577074312826 0.67171081770460 14.007 4 N 0.01992170369059 0.90422925687174 0.82828918229540 14.007 5 N 0.51992170369059 0.59577074312826 0.32828918229540 14.007 6 N 0.51992170369059 0.90422925687174 0.17171081770460 14.007 7 N 0.98007829630941 0.40422925687174 0.32828918229540 14.007 8 N 0.98007829630941 0.09577074312826 0.17171081770460 14.007 *9 N 0.14074990037508 0.35284834115836 0.87210193273544 14.007 10 N 0.14074990037508 0.14715165884164 0.62789806726456 14.007 11 N 0.35925009962492 0.64715165884164 0.87210193273544 14.007 12 N 0.35925009962492 0.85284834115836 0.62789806726456 14.007 13 N 0.85925009962492 0.85284834115836 0.37210193273544 14.007 14 N 0.64074990037508 0.35284834115836 0.12789806726456 14.007 15 N 0.64074990037508 0.14715165884164 0.37210193273544 14.007 16 N 0.85925009962492 0.64715165884164 0.12789806726456 14.007 *17 Ga 0.83756530793815 0.25000000000000 0.25000000000000 69.723 18 Ga 0.66243469206185 0.75000000000000 0.25000000000000 69.723 19 Ga 0.16243469206185 0.75000000000000 0.75000000000000 69.723 20 Ga 0.33756530793815 0.25000000000000 0.75000000000000 69.723 *21 Ga 0.25000000000000 0.00000000000000 0.72971128203352 69.723 22 Ga 0.75000000000000 0.50000000000000 0.22971128203352 69.723 23 Ga 0.75000000000000 0.00000000000000 0.27028871796648 69.723 24 Ga 0.25000000000000 0.50000000000000 0.77028871796648 69.723 *25 Ba 0.25000000000000 0.50000000000000 0.09428011826402 137.327 26 Ba 0.25000000000000 0.00000000000000 0.40571988173598 137.327 27 Ba 0.75000000000000 0.50000000000000 0.90571988173598 137.327 28 Ba 0.75000000000000 0.00000000000000 0.59428011826402 137.327 *29 Ba 0.39064472959636 0.15468988450474 0.08766011201782 137.327 30 Ba 0.39064472959636 0.34531011549526 0.41233988798218 137.327 31 Ba 0.10935527040364 0.84531011549526 0.08766011201782 137.327 32 Ba 0.10935527040364 0.65468988450474 0.41233988798218 137.327 33 Ba 0.60935527040364 0.84531011549526 0.91233988798218 137.327 34 Ba 0.60935527040364 0.65468988450474 0.58766011201782 137.327 35 Ba 0.89064472959636 0.15468988450474 0.91233988798218 137.327 36 Ba 0.89064472959636 0.34531011549526 0.58766011201782 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.197809800000002 0.000000000000000 0.000000000000000 b 0.000000000000000 10.493423070000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.018717179999999 Atomic positions (fractional): *1 N 0.48007829630941 0.40422925687174 0.67171081770460 14.007 > 1 2 N 0.48007829630941 0.09577074312826 0.82828918229540 14.007 > 2 3 N 0.01992170369059 0.59577074312826 0.67171081770460 14.007 > 3 4 N 0.01992170369059 0.90422925687174 0.82828918229540 14.007 > 4 5 N 0.51992170369059 0.59577074312826 0.32828918229540 14.007 > 5 6 N 0.51992170369059 0.90422925687174 0.17171081770460 14.007 > 6 7 N 0.98007829630941 0.40422925687174 0.32828918229540 14.007 > 7 8 N 0.98007829630941 0.09577074312826 0.17171081770460 14.007 > 8 *9 N 0.14074990037508 0.35284834115836 0.87210193273544 14.007 > 9 10 N 0.14074990037508 0.14715165884164 0.62789806726456 14.007 > 10 11 N 0.35925009962492 0.64715165884164 0.87210193273544 14.007 > 11 12 N 0.35925009962492 0.85284834115836 0.62789806726456 14.007 > 12 13 N 0.85925009962492 0.85284834115836 0.37210193273544 14.007 > 13 14 N 0.64074990037508 0.35284834115836 0.12789806726456 14.007 > 14 15 N 0.64074990037508 0.14715165884164 0.37210193273544 14.007 > 15 16 N 0.85925009962492 0.64715165884164 0.12789806726456 14.007 > 16 *17 Ga 0.83756530793815 0.25000000000000 0.25000000000000 69.723 > 17 18 Ga 0.66243469206185 0.75000000000000 0.25000000000000 69.723 > 18 19 Ga 0.16243469206185 0.75000000000000 0.75000000000000 69.723 > 19 20 Ga 0.33756530793815 0.25000000000000 0.75000000000000 69.723 > 20 *21 Ga 0.25000000000000 0.00000000000000 0.72971128203352 69.723 > 21 22 Ga 0.75000000000000 0.50000000000000 0.22971128203352 69.723 > 22 23 Ga 0.75000000000000 0.00000000000000 0.27028871796648 69.723 > 23 24 Ga 0.25000000000000 0.50000000000000 0.77028871796648 69.723 > 24 *25 Ba 0.25000000000000 0.50000000000000 0.09428011826402 137.327 > 25 26 Ba 0.25000000000000 0.00000000000000 0.40571988173598 137.327 > 26 27 Ba 0.75000000000000 0.50000000000000 0.90571988173598 137.327 > 27 28 Ba 0.75000000000000 0.00000000000000 0.59428011826402 137.327 > 28 *29 Ba 0.39064472959636 0.15468988450474 0.08766011201782 137.327 > 29 30 Ba 0.39064472959636 0.34531011549526 0.41233988798218 137.327 > 30 31 Ba 0.10935527040364 0.84531011549526 0.08766011201782 137.327 > 31 32 Ba 0.10935527040364 0.65468988450474 0.41233988798218 137.327 > 32 33 Ba 0.60935527040364 0.84531011549526 0.91233988798218 137.327 > 33 34 Ba 0.60935527040364 0.65468988450474 0.58766011201782 137.327 > 34 35 Ba 0.89064472959636 0.15468988450474 0.91233988798218 137.327 > 35 36 Ba 0.89064472959636 0.34531011549526 0.58766011201782 137.327 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.395619600000003 0.000000000000000 0.000000000000000 b 0.000000000000000 10.493423070000002 0.000000000000000 c 0.000000000000000 0.000000000000000 20.037434359999999 Atomic positions (fractional): *1 N 0.24003914815471 0.40422925687174 0.33585540885230 14.007 > 1 2 N 0.74003914815471 0.40422925687174 0.33585540885230 14.007 > 1 3 N 0.24003914815471 0.40422925687174 0.83585540885230 14.007 > 1 4 N 0.74003914815471 0.40422925687174 0.83585540885230 14.007 > 1 5 N 0.24003914815471 0.09577074312826 0.41414459114770 14.007 > 2 6 N 0.74003914815471 0.09577074312826 0.41414459114770 14.007 > 2 7 N 0.24003914815471 0.09577074312826 0.91414459114770 14.007 > 2 8 N 0.74003914815471 0.09577074312826 0.91414459114770 14.007 > 2 9 N 0.00996085184529 0.59577074312826 0.33585540885230 14.007 > 3 10 N 0.50996085184529 0.59577074312826 0.33585540885230 14.007 > 3 11 N 0.00996085184529 0.59577074312826 0.83585540885230 14.007 > 3 12 N 0.50996085184529 0.59577074312826 0.83585540885230 14.007 > 3 13 N 0.00996085184529 0.90422925687174 0.41414459114770 14.007 > 4 14 N 0.50996085184529 0.90422925687174 0.41414459114770 14.007 > 4 15 N 0.00996085184529 0.90422925687174 0.91414459114770 14.007 > 4 16 N 0.50996085184529 0.90422925687174 0.91414459114770 14.007 > 4 17 N 0.25996085184529 0.59577074312826 0.16414459114770 14.007 > 5 18 N 0.75996085184529 0.59577074312826 0.16414459114770 14.007 > 5 19 N 0.25996085184529 0.59577074312826 0.66414459114770 14.007 > 5 20 N 0.75996085184529 0.59577074312826 0.66414459114770 14.007 > 5 21 N 0.25996085184529 0.90422925687174 0.08585540885230 14.007 > 6 22 N 0.75996085184529 0.90422925687174 0.08585540885230 14.007 > 6 23 N 0.25996085184529 0.90422925687174 0.58585540885230 14.007 > 6 24 N 0.75996085184529 0.90422925687174 0.58585540885230 14.007 > 6 25 N 0.49003914815471 0.40422925687174 0.16414459114770 14.007 > 7 26 N 0.99003914815471 0.40422925687174 0.16414459114770 14.007 > 7 27 N 0.49003914815471 0.40422925687174 0.66414459114770 14.007 > 7 28 N 0.99003914815471 0.40422925687174 0.66414459114770 14.007 > 7 29 N 0.49003914815471 0.09577074312826 0.08585540885230 14.007 > 8 30 N 0.99003914815471 0.09577074312826 0.08585540885230 14.007 > 8 31 N 0.49003914815471 0.09577074312826 0.58585540885230 14.007 > 8 32 N 0.99003914815471 0.09577074312826 0.58585540885230 14.007 > 8 *33 N 0.07037495018754 0.35284834115836 0.43605096636772 14.007 > 9 34 N 0.57037495018754 0.35284834115836 0.43605096636772 14.007 > 9 35 N 0.07037495018754 0.35284834115836 0.93605096636772 14.007 > 9 36 N 0.57037495018754 0.35284834115836 0.93605096636772 14.007 > 9 37 N 0.07037495018754 0.14715165884164 0.31394903363228 14.007 > 10 38 N 0.57037495018754 0.14715165884164 0.31394903363228 14.007 > 10 39 N 0.07037495018754 0.14715165884164 0.81394903363228 14.007 > 10 40 N 0.57037495018754 0.14715165884164 0.81394903363228 14.007 > 10 41 N 0.17962504981246 0.64715165884164 0.43605096636772 14.007 > 11 42 N 0.67962504981246 0.64715165884164 0.43605096636772 14.007 > 11 43 N 0.17962504981246 0.64715165884164 0.93605096636772 14.007 > 11 44 N 0.67962504981246 0.64715165884164 0.93605096636772 14.007 > 11 45 N 0.17962504981246 0.85284834115836 0.31394903363228 14.007 > 12 46 N 0.67962504981246 0.85284834115836 0.31394903363228 14.007 > 12 47 N 0.17962504981246 0.85284834115836 0.81394903363228 14.007 > 12 48 N 0.67962504981246 0.85284834115836 0.81394903363228 14.007 > 12 49 N 0.42962504981246 0.85284834115836 0.18605096636772 14.007 > 13 50 N 0.92962504981246 0.85284834115836 0.18605096636772 14.007 > 13 51 N 0.42962504981246 0.85284834115836 0.68605096636772 14.007 > 13 52 N 0.92962504981246 0.85284834115836 0.68605096636772 14.007 > 13 53 N 0.32037495018754 0.35284834115836 0.06394903363228 14.007 > 14 54 N 0.82037495018754 0.35284834115836 0.06394903363228 14.007 > 14 55 N 0.32037495018754 0.35284834115836 0.56394903363228 14.007 > 14 56 N 0.82037495018754 0.35284834115836 0.56394903363228 14.007 > 14 57 N 0.32037495018754 0.14715165884164 0.18605096636772 14.007 > 15 58 N 0.82037495018754 0.14715165884164 0.18605096636772 14.007 > 15 59 N 0.32037495018754 0.14715165884164 0.68605096636772 14.007 > 15 60 N 0.82037495018754 0.14715165884164 0.68605096636772 14.007 > 15 61 N 0.42962504981246 0.64715165884164 0.06394903363228 14.007 > 16 62 N 0.92962504981246 0.64715165884164 0.06394903363228 14.007 > 16 63 N 0.42962504981246 0.64715165884164 0.56394903363228 14.007 > 16 64 N 0.92962504981246 0.64715165884164 0.56394903363228 14.007 > 16 *65 Ga 0.41878265396908 0.25000000000000 0.12500000000000 69.723 > 17 66 Ga 0.91878265396908 0.25000000000000 0.12500000000000 69.723 > 17 67 Ga 0.41878265396908 0.25000000000000 0.62500000000000 69.723 > 17 68 Ga 0.91878265396908 0.25000000000000 0.62500000000000 69.723 > 17 69 Ga 0.33121734603092 0.75000000000000 0.12500000000000 69.723 > 18 70 Ga 0.83121734603092 0.75000000000000 0.12500000000000 69.723 > 18 71 Ga 0.33121734603092 0.75000000000000 0.62500000000000 69.723 > 18 72 Ga 0.83121734603092 0.75000000000000 0.62500000000000 69.723 > 18 73 Ga 0.08121734603092 0.75000000000000 0.37500000000000 69.723 > 19 74 Ga 0.58121734603092 0.75000000000000 0.37500000000000 69.723 > 19 75 Ga 0.08121734603092 0.75000000000000 0.87500000000000 69.723 > 19 76 Ga 0.58121734603092 0.75000000000000 0.87500000000000 69.723 > 19 77 Ga 0.16878265396908 0.25000000000000 0.37500000000000 69.723 > 20 78 Ga 0.66878265396908 0.25000000000000 0.37500000000000 69.723 > 20 79 Ga 0.16878265396908 0.25000000000000 0.87500000000000 69.723 > 20 80 Ga 0.66878265396908 0.25000000000000 0.87500000000000 69.723 > 20 *81 Ga 0.12500000000000 0.00000000000000 0.36485564101676 69.723 > 21 82 Ga 0.62500000000000 0.00000000000000 0.36485564101676 69.723 > 21 83 Ga 0.12500000000000 0.00000000000000 0.86485564101676 69.723 > 21 84 Ga 0.62500000000000 0.00000000000000 0.86485564101676 69.723 > 21 85 Ga 0.37500000000000 0.50000000000000 0.11485564101676 69.723 > 22 86 Ga 0.87500000000000 0.50000000000000 0.11485564101676 69.723 > 22 87 Ga 0.37500000000000 0.50000000000000 0.61485564101676 69.723 > 22 88 Ga 0.87500000000000 0.50000000000000 0.61485564101676 69.723 > 22 89 Ga 0.37500000000000 0.00000000000000 0.13514435898324 69.723 > 23 90 Ga 0.87500000000000 0.00000000000000 0.13514435898324 69.723 > 23 91 Ga 0.37500000000000 0.00000000000000 0.63514435898324 69.723 > 23 92 Ga 0.87500000000000 0.00000000000000 0.63514435898324 69.723 > 23 93 Ga 0.12500000000000 0.50000000000000 0.38514435898324 69.723 > 24 94 Ga 0.62500000000000 0.50000000000000 0.38514435898324 69.723 > 24 95 Ga 0.12500000000000 0.50000000000000 0.88514435898324 69.723 > 24 96 Ga 0.62500000000000 0.50000000000000 0.88514435898324 69.723 > 24 *97 Ba 0.12500000000000 0.50000000000000 0.04714005913201 137.327 > 25 98 Ba 0.62500000000000 0.50000000000000 0.04714005913201 137.327 > 25 99 Ba 0.12500000000000 0.50000000000000 0.54714005913201 137.327 > 25 100 Ba 0.62500000000000 0.50000000000000 0.54714005913201 137.327 > 25 101 Ba 0.12500000000000 0.00000000000000 0.20285994086799 137.327 > 26 102 Ba 0.62500000000000 0.00000000000000 0.20285994086799 137.327 > 26 103 Ba 0.12500000000000 0.00000000000000 0.70285994086799 137.327 > 26 104 Ba 0.62500000000000 0.00000000000000 0.70285994086799 137.327 > 26 105 Ba 0.37500000000000 0.50000000000000 0.45285994086799 137.327 > 27 106 Ba 0.87500000000000 0.50000000000000 0.45285994086799 137.327 > 27 107 Ba 0.37500000000000 0.50000000000000 0.95285994086799 137.327 > 27 108 Ba 0.87500000000000 0.50000000000000 0.95285994086799 137.327 > 27 109 Ba 0.37500000000000 0.00000000000000 0.29714005913201 137.327 > 28 110 Ba 0.87500000000000 0.00000000000000 0.29714005913201 137.327 > 28 111 Ba 0.37500000000000 0.00000000000000 0.79714005913201 137.327 > 28 112 Ba 0.87500000000000 0.00000000000000 0.79714005913201 137.327 > 28 *113 Ba 0.19532236479818 0.15468988450474 0.04383005600891 137.327 > 29 114 Ba 0.69532236479818 0.15468988450474 0.04383005600891 137.327 > 29 115 Ba 0.19532236479818 0.15468988450474 0.54383005600891 137.327 > 29 116 Ba 0.69532236479818 0.15468988450474 0.54383005600891 137.327 > 29 117 Ba 0.19532236479818 0.34531011549526 0.20616994399109 137.327 > 30 118 Ba 0.69532236479818 0.34531011549526 0.20616994399109 137.327 > 30 119 Ba 0.19532236479818 0.34531011549526 0.70616994399109 137.327 > 30 120 Ba 0.69532236479818 0.34531011549526 0.70616994399109 137.327 > 30 121 Ba 0.05467763520182 0.84531011549526 0.04383005600891 137.327 > 31 122 Ba 0.55467763520182 0.84531011549526 0.04383005600891 137.327 > 31 123 Ba 0.05467763520182 0.84531011549526 0.54383005600891 137.327 > 31 124 Ba 0.55467763520182 0.84531011549526 0.54383005600891 137.327 > 31 125 Ba 0.05467763520182 0.65468988450474 0.20616994399109 137.327 > 32 126 Ba 0.55467763520182 0.65468988450474 0.20616994399109 137.327 > 32 127 Ba 0.05467763520182 0.65468988450474 0.70616994399109 137.327 > 32 128 Ba 0.55467763520182 0.65468988450474 0.70616994399109 137.327 > 32 129 Ba 0.30467763520182 0.84531011549526 0.45616994399109 137.327 > 33 130 Ba 0.80467763520182 0.84531011549526 0.45616994399109 137.327 > 33 131 Ba 0.30467763520182 0.84531011549526 0.95616994399109 137.327 > 33 132 Ba 0.80467763520182 0.84531011549526 0.95616994399109 137.327 > 33 133 Ba 0.30467763520182 0.65468988450474 0.29383005600891 137.327 > 34 134 Ba 0.80467763520182 0.65468988450474 0.29383005600891 137.327 > 34 135 Ba 0.30467763520182 0.65468988450474 0.79383005600891 137.327 > 34 136 Ba 0.80467763520182 0.65468988450474 0.79383005600891 137.327 > 34 137 Ba 0.44532236479818 0.15468988450474 0.45616994399109 137.327 > 35 138 Ba 0.94532236479818 0.15468988450474 0.45616994399109 137.327 > 35 139 Ba 0.44532236479818 0.15468988450474 0.95616994399109 137.327 > 35 140 Ba 0.94532236479818 0.15468988450474 0.95616994399109 137.327 > 35 141 Ba 0.44532236479818 0.34531011549526 0.29383005600891 137.327 > 36 142 Ba 0.94532236479818 0.34531011549526 0.29383005600891 137.327 > 36 143 Ba 0.44532236479818 0.34531011549526 0.79383005600891 137.327 > 36 144 Ba 0.94532236479818 0.34531011549526 0.79383005600891 137.327 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.9524976 0.0000000 0.0000000 0.0000000 7.6527144 0.0000000 0.0000000 0.0000000 7.3436555 -------------------------- Born effective charges -------------------------- 1 N -3.1058344 -0.2165920 0.6120689 -0.0627883 -3.3408465 -0.0702618 0.4073552 -0.0993202 -3.0100485 2 N -3.1058344 0.2165920 -0.6120689 0.0627883 -3.3408465 -0.0702618 -0.4073552 -0.0993202 -3.0100485 3 N -3.1058344 -0.2165920 -0.6120689 -0.0627883 -3.3408465 0.0702618 -0.4073552 0.0993202 -3.0100485 4 N -3.1058344 0.2165920 0.6120689 0.0627883 -3.3408465 0.0702618 0.4073552 0.0993202 -3.0100485 5 N -3.1058344 -0.2165920 0.6120689 -0.0627883 -3.3408465 -0.0702618 0.4073552 -0.0993202 -3.0100485 6 N -3.1058344 0.2165920 -0.6120689 0.0627883 -3.3408465 -0.0702618 -0.4073552 -0.0993202 -3.0100485 7 N -3.1058344 -0.2165920 -0.6120689 -0.0627883 -3.3408465 0.0702618 -0.4073552 0.0993202 -3.0100485 8 N -3.1058344 0.2165920 0.6120689 0.0627883 -3.3408465 0.0702618 0.4073552 0.0993202 -3.0100485 9 N -2.8239230 -0.3139502 0.4257600 -0.1727757 -3.7546333 0.0121845 0.3777906 -0.0164457 -3.0110363 10 N -2.8239230 0.3139502 -0.4257600 0.1727757 -3.7546333 0.0121845 -0.3777906 -0.0164457 -3.0110363 11 N -2.8239230 -0.3139502 -0.4257600 -0.1727757 -3.7546333 -0.0121845 -0.3777906 0.0164457 -3.0110363 12 N -2.8239230 0.3139502 0.4257600 0.1727757 -3.7546333 -0.0121845 0.3777906 0.0164457 -3.0110363 13 N -2.8239230 0.3139502 -0.4257600 0.1727757 -3.7546333 0.0121845 -0.3777906 -0.0164457 -3.0110363 14 N -2.8239230 -0.3139502 -0.4257600 -0.1727757 -3.7546333 -0.0121845 -0.3777906 0.0164457 -3.0110363 15 N -2.8239230 0.3139502 0.4257600 0.1727757 -3.7546333 -0.0121845 0.3777906 0.0164457 -3.0110363 16 N -2.8239230 -0.3139502 0.4257600 -0.1727757 -3.7546333 0.0121845 0.3777906 -0.0164457 -3.0110363 17 Ga 1.7761299 0.0000000 0.0000000 0.0000000 3.2162948 -0.0519676 0.0000000 0.0057020 1.8104262 18 Ga 1.7761299 0.0000000 0.0000000 0.0000000 3.2162948 0.0519676 0.0000000 -0.0057020 1.8104262 19 Ga 1.7761299 0.0000000 0.0000000 0.0000000 3.2162948 -0.0519676 0.0000000 0.0057020 1.8104262 20 Ga 1.7761299 0.0000000 0.0000000 0.0000000 3.2162948 0.0519676 0.0000000 -0.0057020 1.8104262 21 Ga 1.8594995 0.1150450 0.0000000 0.2837112 3.0642591 0.0000000 0.0000000 0.0000000 1.6812291 22 Ga 1.8594995 -0.1150450 0.0000000 -0.2837112 3.0642591 0.0000000 0.0000000 0.0000000 1.6812291 23 Ga 1.8594995 0.1150450 0.0000000 0.2837112 3.0642591 0.0000000 0.0000000 0.0000000 1.6812291 24 Ga 1.8594995 -0.1150450 0.0000000 -0.2837112 3.0642591 0.0000000 0.0000000 0.0000000 1.6812291 25 Ba 3.0224965 -0.0456432 0.0000000 -0.1119941 2.4476214 0.0000000 0.0000000 0.0000000 3.1733587 26 Ba 3.0224965 0.0456432 0.0000000 0.1119941 2.4476214 0.0000000 0.0000000 0.0000000 3.1733587 27 Ba 3.0224965 -0.0456432 0.0000000 -0.1119941 2.4476214 0.0000000 0.0000000 0.0000000 3.1733587 28 Ba 3.0224965 0.0456432 0.0000000 0.1119941 2.4476214 0.0000000 0.0000000 0.0000000 3.1733587 29 Ba 2.6006944 0.3932723 0.2608422 0.4347173 2.7313923 -0.1226710 0.1529808 -0.1310993 2.6885778 30 Ba 2.6006944 -0.3932723 -0.2608422 -0.4347173 2.7313923 -0.1226710 -0.1529808 -0.1310993 2.6885778 31 Ba 2.6006944 0.3932723 -0.2608422 0.4347173 2.7313923 0.1226710 -0.1529808 0.1310993 2.6885778 32 Ba 2.6006944 -0.3932723 0.2608422 -0.4347173 2.7313923 0.1226710 0.1529808 0.1310993 2.6885778 33 Ba 2.6006944 0.3932723 0.2608422 0.4347173 2.7313923 -0.1226710 0.1529808 -0.1310993 2.6885778 34 Ba 2.6006944 -0.3932723 -0.2608422 -0.4347173 2.7313923 -0.1226710 -0.1529808 -0.1310993 2.6885778 35 Ba 2.6006944 0.3932723 -0.2608422 0.4347173 2.7313923 0.1226710 -0.1529808 0.1310993 2.6885778 36 Ba 2.6006944 -0.3932723 0.2608422 -0.4347173 2.7313923 0.1226710 0.1529808 0.1310993 2.6885778 ---------------------------------------------------------------------------- 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: 3061 Number of blocks in projector: 3061 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: 660 Use submatrix version of eigh solver. (1) Block: 500 / 660 (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: 660 / 660 (1) 152 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: 636 Use submatrix version of eigh solver. (1) Block: 500 / 636 (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: 636 / 636 (1) 130 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: 628 Use submatrix version of eigh solver. (1) Block: 500 / 628 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 628 / 628 (1) 124 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 379 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 379 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 379 Use standard eigh solver. Tree of FC basis block matrices: - (3061, 3019), data: False |-- (379, 373), data: True |-- (379, 373), data: True |-- (379, 373), data: True |-- (628, 622), data: False |-- (628, 4), data: (628, 10) @ (10, 4) |-- (128, 124), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (636, 628), data: False |-- (636, 6), data: (636, 14) @ (14, 6) |-- (136, 130), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (660, 650), data: False |-- (660, 8), data: (660, 18) @ (18, 8) |-- (160, 152), 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: 2.634 Solver_block: 200 / 560 - Time: 2.782 Solver_block: 300 / 560 - Time: 0.989 Solver_block: 400 / 560 - Time: 1.367 Solver_block: 500 / 560 - Time: 2.132 Solver_block: 560 / 560 - Time: 0.767 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 11.065 --------------------------------- 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: 3061 Number of blocks in projector: 3061 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: 660 Use submatrix version of eigh solver. (1) Block: 500 / 660 (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: 660 / 660 (1) 152 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: 636 Use submatrix version of eigh solver. (1) Block: 500 / 636 (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: 636 / 636 (1) 130 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: 628 Use submatrix version of eigh solver. (1) Block: 500 / 628 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 628 / 628 (1) 124 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 379 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 379 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 379 Use standard eigh solver. Tree of FC basis block matrices: - (3061, 3019), data: False |-- (379, 373), data: True |-- (379, 373), data: True |-- (379, 373), data: True |-- (628, 622), data: False |-- (628, 4), data: (628, 10) @ (10, 4) |-- (128, 124), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (636, 628), data: False |-- (636, 6), data: (636, 14) @ (14, 6) |-- (136, 130), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (660, 650), data: False |-- (660, 8), data: (660, 18) @ (18, 8) |-- (160, 152), 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 2026-01-08 04:20:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:20:28]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnna (52) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.197809800000002 0.000000000000000 0.000000000000000 b 0.000000000000000 10.493423070000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.018717179999999 Atomic positions (fractional): 1 N 0.48007829630941 0.40422925687174 0.67171081770460 14.007 2 N 0.48007829630941 0.09577074312826 0.82828918229540 14.007 3 N 0.01992170369059 0.59577074312826 0.67171081770460 14.007 4 N 0.01992170369059 0.90422925687174 0.82828918229540 14.007 5 N 0.51992170369059 0.59577074312826 0.32828918229540 14.007 6 N 0.51992170369059 0.90422925687174 0.17171081770460 14.007 7 N 0.98007829630941 0.40422925687174 0.32828918229540 14.007 8 N 0.98007829630941 0.09577074312826 0.17171081770460 14.007 9 N 0.14074990037508 0.35284834115836 0.87210193273544 14.007 10 N 0.14074990037508 0.14715165884164 0.62789806726456 14.007 11 N 0.35925009962492 0.64715165884164 0.87210193273544 14.007 12 N 0.35925009962492 0.85284834115836 0.62789806726456 14.007 13 N 0.85925009962492 0.85284834115836 0.37210193273544 14.007 14 N 0.64074990037508 0.35284834115836 0.12789806726456 14.007 15 N 0.64074990037508 0.14715165884164 0.37210193273544 14.007 16 N 0.85925009962492 0.64715165884164 0.12789806726456 14.007 17 Ga 0.83756530793815 0.25000000000000 0.25000000000000 69.723 18 Ga 0.66243469206185 0.75000000000000 0.25000000000000 69.723 19 Ga 0.16243469206185 0.75000000000000 0.75000000000000 69.723 20 Ga 0.33756530793815 0.25000000000000 0.75000000000000 69.723 21 Ga 0.25000000000000 0.00000000000000 0.72971128203352 69.723 22 Ga 0.75000000000000 0.50000000000000 0.22971128203352 69.723 23 Ga 0.75000000000000 0.00000000000000 0.27028871796648 69.723 24 Ga 0.25000000000000 0.50000000000000 0.77028871796648 69.723 25 Ba 0.25000000000000 0.50000000000000 0.09428011826402 137.327 26 Ba 0.25000000000000 0.00000000000000 0.40571988173598 137.327 27 Ba 0.75000000000000 0.50000000000000 0.90571988173598 137.327 28 Ba 0.75000000000000 0.00000000000000 0.59428011826402 137.327 29 Ba 0.39064472959636 0.15468988450474 0.08766011201782 137.327 30 Ba 0.39064472959636 0.34531011549526 0.41233988798218 137.327 31 Ba 0.10935527040364 0.84531011549526 0.08766011201782 137.327 32 Ba 0.10935527040364 0.65468988450474 0.41233988798218 137.327 33 Ba 0.60935527040364 0.84531011549526 0.91233988798218 137.327 34 Ba 0.60935527040364 0.65468988450474 0.58766011201782 137.327 35 Ba 0.89064472959636 0.15468988450474 0.91233988798218 137.327 36 Ba 0.89064472959636 0.34531011549526 0.58766011201782 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.395619600000003 0.000000000000000 0.000000000000000 b 0.000000000000000 10.493423070000002 0.000000000000000 c 0.000000000000000 0.000000000000000 20.037434359999999 Atomic positions (fractional): 1 N 0.24003914815471 0.40422925687174 0.33585540885230 14.007 > 1 2 N 0.74003914815471 0.40422925687174 0.33585540885230 14.007 > 1 3 N 0.24003914815471 0.40422925687174 0.83585540885230 14.007 > 1 4 N 0.74003914815471 0.40422925687174 0.83585540885230 14.007 > 1 5 N 0.24003914815471 0.09577074312826 0.41414459114770 14.007 > 5 6 N 0.74003914815471 0.09577074312826 0.41414459114770 14.007 > 5 7 N 0.24003914815471 0.09577074312826 0.91414459114770 14.007 > 5 8 N 0.74003914815471 0.09577074312826 0.91414459114770 14.007 > 5 9 N 0.00996085184529 0.59577074312826 0.33585540885230 14.007 > 9 10 N 0.50996085184529 0.59577074312826 0.33585540885230 14.007 > 9 11 N 0.00996085184529 0.59577074312826 0.83585540885230 14.007 > 9 12 N 0.50996085184529 0.59577074312826 0.83585540885230 14.007 > 9 13 N 0.00996085184529 0.90422925687174 0.41414459114770 14.007 > 13 14 N 0.50996085184529 0.90422925687174 0.41414459114770 14.007 > 13 15 N 0.00996085184529 0.90422925687174 0.91414459114770 14.007 > 13 16 N 0.50996085184529 0.90422925687174 0.91414459114770 14.007 > 13 17 N 0.25996085184529 0.59577074312826 0.16414459114770 14.007 > 17 18 N 0.75996085184529 0.59577074312826 0.16414459114770 14.007 > 17 19 N 0.25996085184529 0.59577074312826 0.66414459114770 14.007 > 17 20 N 0.75996085184529 0.59577074312826 0.66414459114770 14.007 > 17 21 N 0.25996085184529 0.90422925687174 0.08585540885230 14.007 > 21 22 N 0.75996085184529 0.90422925687174 0.08585540885230 14.007 > 21 23 N 0.25996085184529 0.90422925687174 0.58585540885230 14.007 > 21 24 N 0.75996085184529 0.90422925687174 0.58585540885230 14.007 > 21 25 N 0.49003914815471 0.40422925687174 0.16414459114770 14.007 > 25 26 N 0.99003914815471 0.40422925687174 0.16414459114770 14.007 > 25 27 N 0.49003914815471 0.40422925687174 0.66414459114770 14.007 > 25 28 N 0.99003914815471 0.40422925687174 0.66414459114770 14.007 > 25 29 N 0.49003914815471 0.09577074312826 0.08585540885230 14.007 > 29 30 N 0.99003914815471 0.09577074312826 0.08585540885230 14.007 > 29 31 N 0.49003914815471 0.09577074312826 0.58585540885230 14.007 > 29 32 N 0.99003914815471 0.09577074312826 0.58585540885230 14.007 > 29 33 N 0.07037495018754 0.35284834115836 0.43605096636772 14.007 > 33 34 N 0.57037495018754 0.35284834115836 0.43605096636772 14.007 > 33 35 N 0.07037495018754 0.35284834115836 0.93605096636772 14.007 > 33 36 N 0.57037495018754 0.35284834115836 0.93605096636772 14.007 > 33 37 N 0.07037495018754 0.14715165884164 0.31394903363228 14.007 > 37 38 N 0.57037495018754 0.14715165884164 0.31394903363228 14.007 > 37 39 N 0.07037495018754 0.14715165884164 0.81394903363228 14.007 > 37 40 N 0.57037495018754 0.14715165884164 0.81394903363228 14.007 > 37 41 N 0.17962504981246 0.64715165884164 0.43605096636772 14.007 > 41 42 N 0.67962504981246 0.64715165884164 0.43605096636772 14.007 > 41 43 N 0.17962504981246 0.64715165884164 0.93605096636772 14.007 > 41 44 N 0.67962504981246 0.64715165884164 0.93605096636772 14.007 > 41 45 N 0.17962504981246 0.85284834115836 0.31394903363228 14.007 > 45 46 N 0.67962504981246 0.85284834115836 0.31394903363228 14.007 > 45 47 N 0.17962504981246 0.85284834115836 0.81394903363228 14.007 > 45 48 N 0.67962504981246 0.85284834115836 0.81394903363228 14.007 > 45 49 N 0.42962504981246 0.85284834115836 0.18605096636772 14.007 > 49 50 N 0.92962504981246 0.85284834115836 0.18605096636772 14.007 > 49 51 N 0.42962504981246 0.85284834115836 0.68605096636772 14.007 > 49 52 N 0.92962504981246 0.85284834115836 0.68605096636772 14.007 > 49 53 N 0.32037495018754 0.35284834115836 0.06394903363228 14.007 > 53 54 N 0.82037495018754 0.35284834115836 0.06394903363228 14.007 > 53 55 N 0.32037495018754 0.35284834115836 0.56394903363228 14.007 > 53 56 N 0.82037495018754 0.35284834115836 0.56394903363228 14.007 > 53 57 N 0.32037495018754 0.14715165884164 0.18605096636772 14.007 > 57 58 N 0.82037495018754 0.14715165884164 0.18605096636772 14.007 > 57 59 N 0.32037495018754 0.14715165884164 0.68605096636772 14.007 > 57 60 N 0.82037495018754 0.14715165884164 0.68605096636772 14.007 > 57 61 N 0.42962504981246 0.64715165884164 0.06394903363228 14.007 > 61 62 N 0.92962504981246 0.64715165884164 0.06394903363228 14.007 > 61 63 N 0.42962504981246 0.64715165884164 0.56394903363228 14.007 > 61 64 N 0.92962504981246 0.64715165884164 0.56394903363228 14.007 > 61 65 Ga 0.41878265396908 0.25000000000000 0.12500000000000 69.723 > 65 66 Ga 0.91878265396908 0.25000000000000 0.12500000000000 69.723 > 65 67 Ga 0.41878265396908 0.25000000000000 0.62500000000000 69.723 > 65 68 Ga 0.91878265396908 0.25000000000000 0.62500000000000 69.723 > 65 69 Ga 0.33121734603092 0.75000000000000 0.12500000000000 69.723 > 69 70 Ga 0.83121734603092 0.75000000000000 0.12500000000000 69.723 > 69 71 Ga 0.33121734603092 0.75000000000000 0.62500000000000 69.723 > 69 72 Ga 0.83121734603092 0.75000000000000 0.62500000000000 69.723 > 69 73 Ga 0.08121734603092 0.75000000000000 0.37500000000000 69.723 > 73 74 Ga 0.58121734603092 0.75000000000000 0.37500000000000 69.723 > 73 75 Ga 0.08121734603092 0.75000000000000 0.87500000000000 69.723 > 73 76 Ga 0.58121734603092 0.75000000000000 0.87500000000000 69.723 > 73 77 Ga 0.16878265396908 0.25000000000000 0.37500000000000 69.723 > 77 78 Ga 0.66878265396908 0.25000000000000 0.37500000000000 69.723 > 77 79 Ga 0.16878265396908 0.25000000000000 0.87500000000000 69.723 > 77 80 Ga 0.66878265396908 0.25000000000000 0.87500000000000 69.723 > 77 81 Ga 0.12500000000000 0.00000000000000 0.36485564101676 69.723 > 81 82 Ga 0.62500000000000 0.00000000000000 0.36485564101676 69.723 > 81 83 Ga 0.12500000000000 0.00000000000000 0.86485564101676 69.723 > 81 84 Ga 0.62500000000000 0.00000000000000 0.86485564101676 69.723 > 81 85 Ga 0.37500000000000 0.50000000000000 0.11485564101676 69.723 > 85 86 Ga 0.87500000000000 0.50000000000000 0.11485564101676 69.723 > 85 87 Ga 0.37500000000000 0.50000000000000 0.61485564101676 69.723 > 85 88 Ga 0.87500000000000 0.50000000000000 0.61485564101676 69.723 > 85 89 Ga 0.37500000000000 0.00000000000000 0.13514435898324 69.723 > 89 90 Ga 0.87500000000000 0.00000000000000 0.13514435898324 69.723 > 89 91 Ga 0.37500000000000 0.00000000000000 0.63514435898324 69.723 > 89 92 Ga 0.87500000000000 0.00000000000000 0.63514435898324 69.723 > 89 93 Ga 0.12500000000000 0.50000000000000 0.38514435898324 69.723 > 93 94 Ga 0.62500000000000 0.50000000000000 0.38514435898324 69.723 > 93 95 Ga 0.12500000000000 0.50000000000000 0.88514435898324 69.723 > 93 96 Ga 0.62500000000000 0.50000000000000 0.88514435898324 69.723 > 93 97 Ba 0.12500000000000 0.50000000000000 0.04714005913201 137.327 > 97 98 Ba 0.62500000000000 0.50000000000000 0.04714005913201 137.327 > 97 99 Ba 0.12500000000000 0.50000000000000 0.54714005913201 137.327 > 97 100 Ba 0.62500000000000 0.50000000000000 0.54714005913201 137.327 > 97 101 Ba 0.12500000000000 0.00000000000000 0.20285994086799 137.327 > 101 102 Ba 0.62500000000000 0.00000000000000 0.20285994086799 137.327 > 101 103 Ba 0.12500000000000 0.00000000000000 0.70285994086799 137.327 > 101 104 Ba 0.62500000000000 0.00000000000000 0.70285994086799 137.327 > 101 105 Ba 0.37500000000000 0.50000000000000 0.45285994086799 137.327 > 105 106 Ba 0.87500000000000 0.50000000000000 0.45285994086799 137.327 > 105 107 Ba 0.37500000000000 0.50000000000000 0.95285994086799 137.327 > 105 108 Ba 0.87500000000000 0.50000000000000 0.95285994086799 137.327 > 105 109 Ba 0.37500000000000 0.00000000000000 0.29714005913201 137.327 > 109 110 Ba 0.87500000000000 0.00000000000000 0.29714005913201 137.327 > 109 111 Ba 0.37500000000000 0.00000000000000 0.79714005913201 137.327 > 109 112 Ba 0.87500000000000 0.00000000000000 0.79714005913201 137.327 > 109 113 Ba 0.19532236479818 0.15468988450474 0.04383005600891 137.327 > 113 114 Ba 0.69532236479818 0.15468988450474 0.04383005600891 137.327 > 113 115 Ba 0.19532236479818 0.15468988450474 0.54383005600891 137.327 > 113 116 Ba 0.69532236479818 0.15468988450474 0.54383005600891 137.327 > 113 117 Ba 0.19532236479818 0.34531011549526 0.20616994399109 137.327 > 117 118 Ba 0.69532236479818 0.34531011549526 0.20616994399109 137.327 > 117 119 Ba 0.19532236479818 0.34531011549526 0.70616994399109 137.327 > 117 120 Ba 0.69532236479818 0.34531011549526 0.70616994399109 137.327 > 117 121 Ba 0.05467763520182 0.84531011549526 0.04383005600891 137.327 > 121 122 Ba 0.55467763520182 0.84531011549526 0.04383005600891 137.327 > 121 123 Ba 0.05467763520182 0.84531011549526 0.54383005600891 137.327 > 121 124 Ba 0.55467763520182 0.84531011549526 0.54383005600891 137.327 > 121 125 Ba 0.05467763520182 0.65468988450474 0.20616994399109 137.327 > 125 126 Ba 0.55467763520182 0.65468988450474 0.20616994399109 137.327 > 125 127 Ba 0.05467763520182 0.65468988450474 0.70616994399109 137.327 > 125 128 Ba 0.55467763520182 0.65468988450474 0.70616994399109 137.327 > 125 129 Ba 0.30467763520182 0.84531011549526 0.45616994399109 137.327 > 129 130 Ba 0.80467763520182 0.84531011549526 0.45616994399109 137.327 > 129 131 Ba 0.30467763520182 0.84531011549526 0.95616994399109 137.327 > 129 132 Ba 0.80467763520182 0.84531011549526 0.95616994399109 137.327 > 129 133 Ba 0.30467763520182 0.65468988450474 0.29383005600891 137.327 > 133 134 Ba 0.80467763520182 0.65468988450474 0.29383005600891 137.327 > 133 135 Ba 0.30467763520182 0.65468988450474 0.79383005600891 137.327 > 133 136 Ba 0.80467763520182 0.65468988450474 0.79383005600891 137.327 > 133 137 Ba 0.44532236479818 0.15468988450474 0.45616994399109 137.327 > 137 138 Ba 0.94532236479818 0.15468988450474 0.45616994399109 137.327 > 137 139 Ba 0.44532236479818 0.15468988450474 0.95616994399109 137.327 > 137 140 Ba 0.94532236479818 0.15468988450474 0.95616994399109 137.327 > 137 141 Ba 0.44532236479818 0.34531011549526 0.29383005600891 137.327 > 141 142 Ba 0.94532236479818 0.34531011549526 0.29383005600891 137.327 > 141 143 Ba 0.44532236479818 0.34531011549526 0.79383005600891 137.327 > 141 144 Ba 0.94532236479818 0.34531011549526 0.79383005600891 137.327 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.9524976 0.0000000 0.0000000 0.0000000 7.6527144 0.0000000 0.0000000 0.0000000 7.3436555 -------------------------- Born effective charges -------------------------- 1 N -3.1058344 -0.2165920 0.6120689 -0.0627883 -3.3408465 -0.0702618 0.4073552 -0.0993202 -3.0100485 2 N -3.1058344 0.2165920 -0.6120689 0.0627883 -3.3408465 -0.0702618 -0.4073552 -0.0993202 -3.0100485 3 N -3.1058344 -0.2165920 -0.6120689 -0.0627883 -3.3408465 0.0702618 -0.4073552 0.0993202 -3.0100485 4 N -3.1058344 0.2165920 0.6120689 0.0627883 -3.3408465 0.0702618 0.4073552 0.0993202 -3.0100485 5 N -3.1058344 -0.2165920 0.6120689 -0.0627883 -3.3408465 -0.0702618 0.4073552 -0.0993202 -3.0100485 6 N -3.1058344 0.2165920 -0.6120689 0.0627883 -3.3408465 -0.0702618 -0.4073552 -0.0993202 -3.0100485 7 N -3.1058344 -0.2165920 -0.6120689 -0.0627883 -3.3408465 0.0702618 -0.4073552 0.0993202 -3.0100485 8 N -3.1058344 0.2165920 0.6120689 0.0627883 -3.3408465 0.0702618 0.4073552 0.0993202 -3.0100485 9 N -2.8239230 -0.3139502 0.4257600 -0.1727757 -3.7546333 0.0121845 0.3777906 -0.0164457 -3.0110363 10 N -2.8239230 0.3139502 -0.4257600 0.1727757 -3.7546333 0.0121845 -0.3777906 -0.0164457 -3.0110363 11 N -2.8239230 -0.3139502 -0.4257600 -0.1727757 -3.7546333 -0.0121845 -0.3777906 0.0164457 -3.0110363 12 N -2.8239230 0.3139502 0.4257600 0.1727757 -3.7546333 -0.0121845 0.3777906 0.0164457 -3.0110363 13 N -2.8239230 0.3139502 -0.4257600 0.1727757 -3.7546333 0.0121845 -0.3777906 -0.0164457 -3.0110363 14 N -2.8239230 -0.3139502 -0.4257600 -0.1727757 -3.7546333 -0.0121845 -0.3777906 0.0164457 -3.0110363 15 N -2.8239230 0.3139502 0.4257600 0.1727757 -3.7546333 -0.0121845 0.3777906 0.0164457 -3.0110363 16 N -2.8239230 -0.3139502 0.4257600 -0.1727757 -3.7546333 0.0121845 0.3777906 -0.0164457 -3.0110363 17 Ga 1.7761299 0.0000000 0.0000000 0.0000000 3.2162948 -0.0519676 0.0000000 0.0057020 1.8104262 18 Ga 1.7761299 0.0000000 0.0000000 0.0000000 3.2162948 0.0519676 0.0000000 -0.0057020 1.8104262 19 Ga 1.7761299 0.0000000 0.0000000 0.0000000 3.2162948 -0.0519676 0.0000000 0.0057020 1.8104262 20 Ga 1.7761299 0.0000000 0.0000000 0.0000000 3.2162948 0.0519676 0.0000000 -0.0057020 1.8104262 21 Ga 1.8594995 0.1150450 0.0000000 0.2837112 3.0642591 0.0000000 0.0000000 0.0000000 1.6812291 22 Ga 1.8594995 -0.1150450 0.0000000 -0.2837112 3.0642591 0.0000000 0.0000000 0.0000000 1.6812291 23 Ga 1.8594995 0.1150450 0.0000000 0.2837112 3.0642591 0.0000000 0.0000000 0.0000000 1.6812291 24 Ga 1.8594995 -0.1150450 0.0000000 -0.2837112 3.0642591 0.0000000 0.0000000 0.0000000 1.6812291 25 Ba 3.0224965 -0.0456432 0.0000000 -0.1119941 2.4476214 0.0000000 0.0000000 0.0000000 3.1733587 26 Ba 3.0224965 0.0456432 0.0000000 0.1119941 2.4476214 0.0000000 0.0000000 0.0000000 3.1733587 27 Ba 3.0224965 -0.0456432 0.0000000 -0.1119941 2.4476214 0.0000000 0.0000000 0.0000000 3.1733587 28 Ba 3.0224965 0.0456432 0.0000000 0.1119941 2.4476214 0.0000000 0.0000000 0.0000000 3.1733587 29 Ba 2.6006944 0.3932723 0.2608422 0.4347173 2.7313923 -0.1226710 0.1529808 -0.1310993 2.6885778 30 Ba 2.6006944 -0.3932723 -0.2608422 -0.4347173 2.7313923 -0.1226710 -0.1529808 -0.1310993 2.6885778 31 Ba 2.6006944 0.3932723 -0.2608422 0.4347173 2.7313923 0.1226710 -0.1529808 0.1310993 2.6885778 32 Ba 2.6006944 -0.3932723 0.2608422 -0.4347173 2.7313923 0.1226710 0.1529808 0.1310993 2.6885778 33 Ba 2.6006944 0.3932723 0.2608422 0.4347173 2.7313923 -0.1226710 0.1529808 -0.1310993 2.6885778 34 Ba 2.6006944 -0.3932723 -0.2608422 -0.4347173 2.7313923 -0.1226710 -0.1529808 -0.1310993 2.6885778 35 Ba 2.6006944 0.3932723 -0.2608422 0.4347173 2.7313923 0.1226710 -0.1529808 0.1310993 2.6885778 36 Ba 2.6006944 -0.3932723 0.2608422 -0.4347173 2.7313923 0.1226710 0.1529808 0.1310993 2.6885778 ---------------------------------------------------------------------------- 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:21:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:21:13]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnna (52) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.197809800000002 0.000000000000000 0.000000000000000 b 0.000000000000000 10.493423070000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.018717179999999 Atomic positions (fractional): 1 N 0.48007829630941 0.40422925687174 0.67171081770460 14.007 2 N 0.48007829630941 0.09577074312826 0.82828918229540 14.007 3 N 0.01992170369059 0.59577074312826 0.67171081770460 14.007 4 N 0.01992170369059 0.90422925687174 0.82828918229540 14.007 5 N 0.51992170369059 0.59577074312826 0.32828918229540 14.007 6 N 0.51992170369059 0.90422925687174 0.17171081770460 14.007 7 N 0.98007829630941 0.40422925687174 0.32828918229540 14.007 8 N 0.98007829630941 0.09577074312826 0.17171081770460 14.007 9 N 0.14074990037508 0.35284834115836 0.87210193273544 14.007 10 N 0.14074990037508 0.14715165884164 0.62789806726456 14.007 11 N 0.35925009962492 0.64715165884164 0.87210193273544 14.007 12 N 0.35925009962492 0.85284834115836 0.62789806726456 14.007 13 N 0.85925009962492 0.85284834115836 0.37210193273544 14.007 14 N 0.64074990037508 0.35284834115836 0.12789806726456 14.007 15 N 0.64074990037508 0.14715165884164 0.37210193273544 14.007 16 N 0.85925009962492 0.64715165884164 0.12789806726456 14.007 17 Ga 0.83756530793815 0.25000000000000 0.25000000000000 69.723 18 Ga 0.66243469206185 0.75000000000000 0.25000000000000 69.723 19 Ga 0.16243469206185 0.75000000000000 0.75000000000000 69.723 20 Ga 0.33756530793815 0.25000000000000 0.75000000000000 69.723 21 Ga 0.25000000000000 0.00000000000000 0.72971128203352 69.723 22 Ga 0.75000000000000 0.50000000000000 0.22971128203352 69.723 23 Ga 0.75000000000000 0.00000000000000 0.27028871796648 69.723 24 Ga 0.25000000000000 0.50000000000000 0.77028871796648 69.723 25 Ba 0.25000000000000 0.50000000000000 0.09428011826402 137.327 26 Ba 0.25000000000000 0.00000000000000 0.40571988173598 137.327 27 Ba 0.75000000000000 0.50000000000000 0.90571988173598 137.327 28 Ba 0.75000000000000 0.00000000000000 0.59428011826402 137.327 29 Ba 0.39064472959636 0.15468988450474 0.08766011201782 137.327 30 Ba 0.39064472959636 0.34531011549526 0.41233988798218 137.327 31 Ba 0.10935527040364 0.84531011549526 0.08766011201782 137.327 32 Ba 0.10935527040364 0.65468988450474 0.41233988798218 137.327 33 Ba 0.60935527040364 0.84531011549526 0.91233988798218 137.327 34 Ba 0.60935527040364 0.65468988450474 0.58766011201782 137.327 35 Ba 0.89064472959636 0.15468988450474 0.91233988798218 137.327 36 Ba 0.89064472959636 0.34531011549526 0.58766011201782 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.395619600000003 0.000000000000000 0.000000000000000 b 0.000000000000000 10.493423070000002 0.000000000000000 c 0.000000000000000 0.000000000000000 20.037434359999999 Atomic positions (fractional): 1 N 0.24003914815471 0.40422925687174 0.33585540885230 14.007 > 1 2 N 0.74003914815471 0.40422925687174 0.33585540885230 14.007 > 1 3 N 0.24003914815471 0.40422925687174 0.83585540885230 14.007 > 1 4 N 0.74003914815471 0.40422925687174 0.83585540885230 14.007 > 1 5 N 0.24003914815471 0.09577074312826 0.41414459114770 14.007 > 5 6 N 0.74003914815471 0.09577074312826 0.41414459114770 14.007 > 5 7 N 0.24003914815471 0.09577074312826 0.91414459114770 14.007 > 5 8 N 0.74003914815471 0.09577074312826 0.91414459114770 14.007 > 5 9 N 0.00996085184529 0.59577074312826 0.33585540885230 14.007 > 9 10 N 0.50996085184529 0.59577074312826 0.33585540885230 14.007 > 9 11 N 0.00996085184529 0.59577074312826 0.83585540885230 14.007 > 9 12 N 0.50996085184529 0.59577074312826 0.83585540885230 14.007 > 9 13 N 0.00996085184529 0.90422925687174 0.41414459114770 14.007 > 13 14 N 0.50996085184529 0.90422925687174 0.41414459114770 14.007 > 13 15 N 0.00996085184529 0.90422925687174 0.91414459114770 14.007 > 13 16 N 0.50996085184529 0.90422925687174 0.91414459114770 14.007 > 13 17 N 0.25996085184529 0.59577074312826 0.16414459114770 14.007 > 17 18 N 0.75996085184529 0.59577074312826 0.16414459114770 14.007 > 17 19 N 0.25996085184529 0.59577074312826 0.66414459114770 14.007 > 17 20 N 0.75996085184529 0.59577074312826 0.66414459114770 14.007 > 17 21 N 0.25996085184529 0.90422925687174 0.08585540885230 14.007 > 21 22 N 0.75996085184529 0.90422925687174 0.08585540885230 14.007 > 21 23 N 0.25996085184529 0.90422925687174 0.58585540885230 14.007 > 21 24 N 0.75996085184529 0.90422925687174 0.58585540885230 14.007 > 21 25 N 0.49003914815471 0.40422925687174 0.16414459114770 14.007 > 25 26 N 0.99003914815471 0.40422925687174 0.16414459114770 14.007 > 25 27 N 0.49003914815471 0.40422925687174 0.66414459114770 14.007 > 25 28 N 0.99003914815471 0.40422925687174 0.66414459114770 14.007 > 25 29 N 0.49003914815471 0.09577074312826 0.08585540885230 14.007 > 29 30 N 0.99003914815471 0.09577074312826 0.08585540885230 14.007 > 29 31 N 0.49003914815471 0.09577074312826 0.58585540885230 14.007 > 29 32 N 0.99003914815471 0.09577074312826 0.58585540885230 14.007 > 29 33 N 0.07037495018754 0.35284834115836 0.43605096636772 14.007 > 33 34 N 0.57037495018754 0.35284834115836 0.43605096636772 14.007 > 33 35 N 0.07037495018754 0.35284834115836 0.93605096636772 14.007 > 33 36 N 0.57037495018754 0.35284834115836 0.93605096636772 14.007 > 33 37 N 0.07037495018754 0.14715165884164 0.31394903363228 14.007 > 37 38 N 0.57037495018754 0.14715165884164 0.31394903363228 14.007 > 37 39 N 0.07037495018754 0.14715165884164 0.81394903363228 14.007 > 37 40 N 0.57037495018754 0.14715165884164 0.81394903363228 14.007 > 37 41 N 0.17962504981246 0.64715165884164 0.43605096636772 14.007 > 41 42 N 0.67962504981246 0.64715165884164 0.43605096636772 14.007 > 41 43 N 0.17962504981246 0.64715165884164 0.93605096636772 14.007 > 41 44 N 0.67962504981246 0.64715165884164 0.93605096636772 14.007 > 41 45 N 0.17962504981246 0.85284834115836 0.31394903363228 14.007 > 45 46 N 0.67962504981246 0.85284834115836 0.31394903363228 14.007 > 45 47 N 0.17962504981246 0.85284834115836 0.81394903363228 14.007 > 45 48 N 0.67962504981246 0.85284834115836 0.81394903363228 14.007 > 45 49 N 0.42962504981246 0.85284834115836 0.18605096636772 14.007 > 49 50 N 0.92962504981246 0.85284834115836 0.18605096636772 14.007 > 49 51 N 0.42962504981246 0.85284834115836 0.68605096636772 14.007 > 49 52 N 0.92962504981246 0.85284834115836 0.68605096636772 14.007 > 49 53 N 0.32037495018754 0.35284834115836 0.06394903363228 14.007 > 53 54 N 0.82037495018754 0.35284834115836 0.06394903363228 14.007 > 53 55 N 0.32037495018754 0.35284834115836 0.56394903363228 14.007 > 53 56 N 0.82037495018754 0.35284834115836 0.56394903363228 14.007 > 53 57 N 0.32037495018754 0.14715165884164 0.18605096636772 14.007 > 57 58 N 0.82037495018754 0.14715165884164 0.18605096636772 14.007 > 57 59 N 0.32037495018754 0.14715165884164 0.68605096636772 14.007 > 57 60 N 0.82037495018754 0.14715165884164 0.68605096636772 14.007 > 57 61 N 0.42962504981246 0.64715165884164 0.06394903363228 14.007 > 61 62 N 0.92962504981246 0.64715165884164 0.06394903363228 14.007 > 61 63 N 0.42962504981246 0.64715165884164 0.56394903363228 14.007 > 61 64 N 0.92962504981246 0.64715165884164 0.56394903363228 14.007 > 61 65 Ga 0.41878265396908 0.25000000000000 0.12500000000000 69.723 > 65 66 Ga 0.91878265396908 0.25000000000000 0.12500000000000 69.723 > 65 67 Ga 0.41878265396908 0.25000000000000 0.62500000000000 69.723 > 65 68 Ga 0.91878265396908 0.25000000000000 0.62500000000000 69.723 > 65 69 Ga 0.33121734603092 0.75000000000000 0.12500000000000 69.723 > 69 70 Ga 0.83121734603092 0.75000000000000 0.12500000000000 69.723 > 69 71 Ga 0.33121734603092 0.75000000000000 0.62500000000000 69.723 > 69 72 Ga 0.83121734603092 0.75000000000000 0.62500000000000 69.723 > 69 73 Ga 0.08121734603092 0.75000000000000 0.37500000000000 69.723 > 73 74 Ga 0.58121734603092 0.75000000000000 0.37500000000000 69.723 > 73 75 Ga 0.08121734603092 0.75000000000000 0.87500000000000 69.723 > 73 76 Ga 0.58121734603092 0.75000000000000 0.87500000000000 69.723 > 73 77 Ga 0.16878265396908 0.25000000000000 0.37500000000000 69.723 > 77 78 Ga 0.66878265396908 0.25000000000000 0.37500000000000 69.723 > 77 79 Ga 0.16878265396908 0.25000000000000 0.87500000000000 69.723 > 77 80 Ga 0.66878265396908 0.25000000000000 0.87500000000000 69.723 > 77 81 Ga 0.12500000000000 0.00000000000000 0.36485564101676 69.723 > 81 82 Ga 0.62500000000000 0.00000000000000 0.36485564101676 69.723 > 81 83 Ga 0.12500000000000 0.00000000000000 0.86485564101676 69.723 > 81 84 Ga 0.62500000000000 0.00000000000000 0.86485564101676 69.723 > 81 85 Ga 0.37500000000000 0.50000000000000 0.11485564101676 69.723 > 85 86 Ga 0.87500000000000 0.50000000000000 0.11485564101676 69.723 > 85 87 Ga 0.37500000000000 0.50000000000000 0.61485564101676 69.723 > 85 88 Ga 0.87500000000000 0.50000000000000 0.61485564101676 69.723 > 85 89 Ga 0.37500000000000 0.00000000000000 0.13514435898324 69.723 > 89 90 Ga 0.87500000000000 0.00000000000000 0.13514435898324 69.723 > 89 91 Ga 0.37500000000000 0.00000000000000 0.63514435898324 69.723 > 89 92 Ga 0.87500000000000 0.00000000000000 0.63514435898324 69.723 > 89 93 Ga 0.12500000000000 0.50000000000000 0.38514435898324 69.723 > 93 94 Ga 0.62500000000000 0.50000000000000 0.38514435898324 69.723 > 93 95 Ga 0.12500000000000 0.50000000000000 0.88514435898324 69.723 > 93 96 Ga 0.62500000000000 0.50000000000000 0.88514435898324 69.723 > 93 97 Ba 0.12500000000000 0.50000000000000 0.04714005913201 137.327 > 97 98 Ba 0.62500000000000 0.50000000000000 0.04714005913201 137.327 > 97 99 Ba 0.12500000000000 0.50000000000000 0.54714005913201 137.327 > 97 100 Ba 0.62500000000000 0.50000000000000 0.54714005913201 137.327 > 97 101 Ba 0.12500000000000 0.00000000000000 0.20285994086799 137.327 > 101 102 Ba 0.62500000000000 0.00000000000000 0.20285994086799 137.327 > 101 103 Ba 0.12500000000000 0.00000000000000 0.70285994086799 137.327 > 101 104 Ba 0.62500000000000 0.00000000000000 0.70285994086799 137.327 > 101 105 Ba 0.37500000000000 0.50000000000000 0.45285994086799 137.327 > 105 106 Ba 0.87500000000000 0.50000000000000 0.45285994086799 137.327 > 105 107 Ba 0.37500000000000 0.50000000000000 0.95285994086799 137.327 > 105 108 Ba 0.87500000000000 0.50000000000000 0.95285994086799 137.327 > 105 109 Ba 0.37500000000000 0.00000000000000 0.29714005913201 137.327 > 109 110 Ba 0.87500000000000 0.00000000000000 0.29714005913201 137.327 > 109 111 Ba 0.37500000000000 0.00000000000000 0.79714005913201 137.327 > 109 112 Ba 0.87500000000000 0.00000000000000 0.79714005913201 137.327 > 109 113 Ba 0.19532236479818 0.15468988450474 0.04383005600891 137.327 > 113 114 Ba 0.69532236479818 0.15468988450474 0.04383005600891 137.327 > 113 115 Ba 0.19532236479818 0.15468988450474 0.54383005600891 137.327 > 113 116 Ba 0.69532236479818 0.15468988450474 0.54383005600891 137.327 > 113 117 Ba 0.19532236479818 0.34531011549526 0.20616994399109 137.327 > 117 118 Ba 0.69532236479818 0.34531011549526 0.20616994399109 137.327 > 117 119 Ba 0.19532236479818 0.34531011549526 0.70616994399109 137.327 > 117 120 Ba 0.69532236479818 0.34531011549526 0.70616994399109 137.327 > 117 121 Ba 0.05467763520182 0.84531011549526 0.04383005600891 137.327 > 121 122 Ba 0.55467763520182 0.84531011549526 0.04383005600891 137.327 > 121 123 Ba 0.05467763520182 0.84531011549526 0.54383005600891 137.327 > 121 124 Ba 0.55467763520182 0.84531011549526 0.54383005600891 137.327 > 121 125 Ba 0.05467763520182 0.65468988450474 0.20616994399109 137.327 > 125 126 Ba 0.55467763520182 0.65468988450474 0.20616994399109 137.327 > 125 127 Ba 0.05467763520182 0.65468988450474 0.70616994399109 137.327 > 125 128 Ba 0.55467763520182 0.65468988450474 0.70616994399109 137.327 > 125 129 Ba 0.30467763520182 0.84531011549526 0.45616994399109 137.327 > 129 130 Ba 0.80467763520182 0.84531011549526 0.45616994399109 137.327 > 129 131 Ba 0.30467763520182 0.84531011549526 0.95616994399109 137.327 > 129 132 Ba 0.80467763520182 0.84531011549526 0.95616994399109 137.327 > 129 133 Ba 0.30467763520182 0.65468988450474 0.29383005600891 137.327 > 133 134 Ba 0.80467763520182 0.65468988450474 0.29383005600891 137.327 > 133 135 Ba 0.30467763520182 0.65468988450474 0.79383005600891 137.327 > 133 136 Ba 0.80467763520182 0.65468988450474 0.79383005600891 137.327 > 133 137 Ba 0.44532236479818 0.15468988450474 0.45616994399109 137.327 > 137 138 Ba 0.94532236479818 0.15468988450474 0.45616994399109 137.327 > 137 139 Ba 0.44532236479818 0.15468988450474 0.95616994399109 137.327 > 137 140 Ba 0.94532236479818 0.15468988450474 0.95616994399109 137.327 > 137 141 Ba 0.44532236479818 0.34531011549526 0.29383005600891 137.327 > 141 142 Ba 0.94532236479818 0.34531011549526 0.29383005600891 137.327 > 141 143 Ba 0.44532236479818 0.34531011549526 0.79383005600891 137.327 > 141 144 Ba 0.94532236479818 0.34531011549526 0.79383005600891 137.327 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.9524976 0.0000000 0.0000000 0.0000000 7.6527144 0.0000000 0.0000000 0.0000000 7.3436555 -------------------------- Born effective charges -------------------------- 1 N -3.1058344 -0.2165920 0.6120689 -0.0627883 -3.3408465 -0.0702618 0.4073552 -0.0993202 -3.0100485 2 N -3.1058344 0.2165920 -0.6120689 0.0627883 -3.3408465 -0.0702618 -0.4073552 -0.0993202 -3.0100485 3 N -3.1058344 -0.2165920 -0.6120689 -0.0627883 -3.3408465 0.0702618 -0.4073552 0.0993202 -3.0100485 4 N -3.1058344 0.2165920 0.6120689 0.0627883 -3.3408465 0.0702618 0.4073552 0.0993202 -3.0100485 5 N -3.1058344 -0.2165920 0.6120689 -0.0627883 -3.3408465 -0.0702618 0.4073552 -0.0993202 -3.0100485 6 N -3.1058344 0.2165920 -0.6120689 0.0627883 -3.3408465 -0.0702618 -0.4073552 -0.0993202 -3.0100485 7 N -3.1058344 -0.2165920 -0.6120689 -0.0627883 -3.3408465 0.0702618 -0.4073552 0.0993202 -3.0100485 8 N -3.1058344 0.2165920 0.6120689 0.0627883 -3.3408465 0.0702618 0.4073552 0.0993202 -3.0100485 9 N -2.8239230 -0.3139502 0.4257600 -0.1727757 -3.7546333 0.0121845 0.3777906 -0.0164457 -3.0110363 10 N -2.8239230 0.3139502 -0.4257600 0.1727757 -3.7546333 0.0121845 -0.3777906 -0.0164457 -3.0110363 11 N -2.8239230 -0.3139502 -0.4257600 -0.1727757 -3.7546333 -0.0121845 -0.3777906 0.0164457 -3.0110363 12 N -2.8239230 0.3139502 0.4257600 0.1727757 -3.7546333 -0.0121845 0.3777906 0.0164457 -3.0110363 13 N -2.8239230 0.3139502 -0.4257600 0.1727757 -3.7546333 0.0121845 -0.3777906 -0.0164457 -3.0110363 14 N -2.8239230 -0.3139502 -0.4257600 -0.1727757 -3.7546333 -0.0121845 -0.3777906 0.0164457 -3.0110363 15 N -2.8239230 0.3139502 0.4257600 0.1727757 -3.7546333 -0.0121845 0.3777906 0.0164457 -3.0110363 16 N -2.8239230 -0.3139502 0.4257600 -0.1727757 -3.7546333 0.0121845 0.3777906 -0.0164457 -3.0110363 17 Ga 1.7761299 0.0000000 0.0000000 0.0000000 3.2162948 -0.0519676 0.0000000 0.0057020 1.8104262 18 Ga 1.7761299 0.0000000 0.0000000 0.0000000 3.2162948 0.0519676 0.0000000 -0.0057020 1.8104262 19 Ga 1.7761299 0.0000000 0.0000000 0.0000000 3.2162948 -0.0519676 0.0000000 0.0057020 1.8104262 20 Ga 1.7761299 0.0000000 0.0000000 0.0000000 3.2162948 0.0519676 0.0000000 -0.0057020 1.8104262 21 Ga 1.8594995 0.1150450 0.0000000 0.2837112 3.0642591 0.0000000 0.0000000 0.0000000 1.6812291 22 Ga 1.8594995 -0.1150450 0.0000000 -0.2837112 3.0642591 0.0000000 0.0000000 0.0000000 1.6812291 23 Ga 1.8594995 0.1150450 0.0000000 0.2837112 3.0642591 0.0000000 0.0000000 0.0000000 1.6812291 24 Ga 1.8594995 -0.1150450 0.0000000 -0.2837112 3.0642591 0.0000000 0.0000000 0.0000000 1.6812291 25 Ba 3.0224965 -0.0456432 0.0000000 -0.1119941 2.4476214 0.0000000 0.0000000 0.0000000 3.1733587 26 Ba 3.0224965 0.0456432 0.0000000 0.1119941 2.4476214 0.0000000 0.0000000 0.0000000 3.1733587 27 Ba 3.0224965 -0.0456432 0.0000000 -0.1119941 2.4476214 0.0000000 0.0000000 0.0000000 3.1733587 28 Ba 3.0224965 0.0456432 0.0000000 0.1119941 2.4476214 0.0000000 0.0000000 0.0000000 3.1733587 29 Ba 2.6006944 0.3932723 0.2608422 0.4347173 2.7313923 -0.1226710 0.1529808 -0.1310993 2.6885778 30 Ba 2.6006944 -0.3932723 -0.2608422 -0.4347173 2.7313923 -0.1226710 -0.1529808 -0.1310993 2.6885778 31 Ba 2.6006944 0.3932723 -0.2608422 0.4347173 2.7313923 0.1226710 -0.1529808 0.1310993 2.6885778 32 Ba 2.6006944 -0.3932723 0.2608422 -0.4347173 2.7313923 0.1226710 0.1529808 0.1310993 2.6885778 33 Ba 2.6006944 0.3932723 0.2608422 0.4347173 2.7313923 -0.1226710 0.1529808 -0.1310993 2.6885778 34 Ba 2.6006944 -0.3932723 -0.2608422 -0.4347173 2.7313923 -0.1226710 -0.1529808 -0.1310993 2.6885778 35 Ba 2.6006944 0.3932723 -0.2608422 0.4347173 2.7313923 0.1226710 -0.1529808 0.1310993 2.6885778 36 Ba 2.6006944 -0.3932723 0.2608422 -0.4347173 2.7313923 0.1226710 0.1529808 0.1310993 2.6885778 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) Max drift of fc2: -0.00000000 (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 ... [ 8 5 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.48, Number of G-points: 291, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/45) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.898 ( 0.000 0.000 0.000) 0.000 0.925 ( 0.000 0.000 0.000) 0.000 1.376 ( 0.000 0.000 0.000) 0.000 1.406 ( 0.000 0.000 0.000) 0.000 1.650 ( 0.000 0.000 0.000) 0.000 1.703 ( 0.000 0.000 0.000) 0.000 1.704 ( 0.000 0.000 0.000) 0.000 1.964 ( 0.000 0.000 0.000) 0.000 1.988 ( 0.000 0.000 0.000) 0.000 1.995 ( 0.000 0.000 0.000) 0.000 2.103 ( 0.000 0.000 0.000) 0.000 2.214 ( 0.000 0.000 0.000) 0.000 2.266 ( 0.000 0.000 0.000) 0.000 2.292 ( 0.000 0.000 0.000) 0.000 2.411 ( 0.000 0.000 0.000) 0.000 2.581 ( 0.000 0.000 0.000) 0.000 2.633 ( 0.000 0.000 0.000) 0.000 2.662 ( 0.000 0.000 0.000) 0.000 2.761 ( 0.000 0.000 0.000) 0.000 2.815 ( 0.000 0.000 0.000) 0.000 2.923 ( 0.000 0.000 0.000) 0.000 2.962 ( 0.000 0.000 0.000) 0.000 3.095 ( 0.000 0.000 0.000) 0.000 3.108 ( 0.000 0.000 0.000) 0.000 3.145 ( 0.000 0.000 0.000) 0.000 3.370 ( 0.000 0.000 0.000) 0.000 3.469 ( 0.000 0.000 0.000) 0.000 3.481 ( 0.000 0.000 0.000) 0.000 3.582 ( 0.000 0.000 0.000) 0.000 3.636 ( 0.000 0.000 0.000) 0.000 3.687 ( 0.000 0.000 0.000) 0.000 3.809 ( 0.000 0.000 0.000) 0.000 3.873 ( 0.000 0.000 0.000) 0.000 3.917 ( 0.000 0.000 0.000) 0.000 4.078 ( 0.000 0.000 0.000) 0.000 4.282 ( 0.000 0.000 0.000) 0.000 4.306 ( 0.000 0.000 0.000) 0.000 4.326 ( 0.000 0.000 0.000) 0.000 4.359 ( 0.000 0.000 0.000) 0.000 4.372 ( 0.000 0.000 0.000) 0.000 4.484 ( 0.000 0.000 0.000) 0.000 4.551 ( 0.000 0.000 0.000) 0.000 4.616 ( 0.000 0.000 0.000) 0.000 5.190 ( 0.000 0.000 0.000) 0.000 5.307 ( 0.000 0.000 0.000) 0.000 5.372 ( 0.000 0.000 0.000) 0.000 5.372 ( 0.000 0.000 0.000) 0.000 5.416 ( 0.000 0.000 0.000) 0.000 5.428 ( 0.000 0.000 0.000) 0.000 5.445 ( 0.000 0.000 0.000) 0.000 5.487 ( 0.000 0.000 0.000) 0.000 5.626 ( 0.000 0.000 0.000) 0.000 5.961 ( 0.000 0.000 0.000) 0.000 6.550 ( 0.000 0.000 0.000) 0.000 6.577 ( 0.000 0.000 0.000) 0.000 6.620 ( 0.000 0.000 0.000) 0.000 6.696 ( 0.000 0.000 0.000) 0.000 6.819 ( 0.000 0.000 0.000) 0.000 6.848 ( 0.000 0.000 0.000) 0.000 7.428 ( 0.000 0.000 0.000) 0.000 8.096 ( 0.000 0.000 0.000) 0.000 8.132 ( 0.000 0.000 0.000) 0.000 8.187 ( 0.000 0.000 0.000) 0.000 8.299 ( 0.000 0.000 0.000) 0.000 8.479 ( 0.000 0.000 0.000) 0.000 8.828 ( 0.000 0.000 0.000) 0.000 9.171 ( 0.000 0.000 0.000) 0.000 9.429 ( 0.000 0.000 0.000) 0.000 9.483 ( 0.000 0.000 0.000) 0.000 9.504 ( 0.000 0.000 0.000) 0.000 9.506 ( 0.000 0.000 0.000) 0.000 9.561 ( 0.000 0.000 0.000) 0.000 10.082 ( 0.000 0.000 0.000) 0.000 11.378 ( 0.000 0.000 0.000) 0.000 11.491 ( 0.000 0.000 0.000) 0.000 12.076 ( 0.000 0.000 0.000) 0.000 12.181 ( 0.000 0.000 0.000) 0.000 12.189 ( 0.000 0.000 0.000) 0.000 12.329 ( 0.000 0.000 0.000) 0.000 12.362 ( 0.000 0.000 0.000) 0.000 12.511 ( 0.000 0.000 0.000) 0.000 12.709 ( 0.000 0.000 0.000) 0.000 12.975 ( 0.000 0.000 0.000) 0.000 13.127 ( 0.000 0.000 0.000) 0.000 13.464 ( 0.000 0.000 0.000) 0.000 13.473 ( 0.000 0.000 0.000) 0.000 13.518 ( 0.000 0.000 0.000) 0.000 13.921 ( 0.000 0.000 0.000) 0.000 14.236 ( 0.000 0.000 0.000) 0.000 14.549 ( 0.000 0.000 0.000) 0.000 14.785 ( 0.000 0.000 0.000) 0.000 15.286 ( 0.000 0.000 0.000) 0.000 15.334 ( 0.000 0.000 0.000) 0.000 15.361 ( 0.000 0.000 0.000) 0.000 15.622 ( 0.000 0.000 0.000) 0.000 16.015 ( 0.000 0.000 0.000) 0.000 16.359 ( 0.000 0.000 0.000) 0.000 16.450 ( 0.000 0.000 0.000) 0.000 16.549 ( 0.000 0.000 0.000) 0.000 16.568 ( 0.000 0.000 0.000) 0.000 16.911 ( 0.000 0.000 0.000) 0.000 17.553 ( 0.000 0.000 0.000) 0.000 17.653 ( 0.000 0.000 0.000) 0.000 17.739 ( 0.000 0.000 0.000) 0.000 17.883 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/45) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.384 ( 17.923 0.000 0.000) 17.923 0.458 ( 22.428 0.000 0.000) 22.428 0.930 ( 45.203 0.000 0.000) 45.203 0.964 ( 3.541 0.000 0.000) 3.541 1.051 ( 13.063 0.000 0.000) 13.063 1.400 ( 2.372 0.000 0.000) 2.372 1.440 ( -1.084 0.000 0.000) 1.084 1.638 ( -0.097 0.000 0.000) 0.097 1.706 ( 0.018 0.000 0.000) 0.018 1.721 ( 1.611 0.000 0.000) 1.611 1.952 ( -3.592 0.000 0.000) 3.592 2.011 ( -4.708 0.000 0.000) 4.708 2.019 ( 3.279 0.000 0.000) 3.279 2.094 ( -0.744 0.000 0.000) 0.744 2.223 ( 0.263 0.000 0.000) 0.263 2.336 ( 3.527 0.000 0.000) 3.527 2.356 ( 7.298 0.000 0.000) 7.298 2.446 ( 2.968 0.000 0.000) 2.968 2.586 ( 0.743 0.000 0.000) 0.743 2.627 ( -0.559 0.000 0.000) 0.559 2.662 ( -0.215 0.000 0.000) 0.215 2.783 ( -11.001 0.000 0.000) 11.001 2.839 ( 0.240 0.000 0.000) 0.240 2.898 ( -2.828 0.000 0.000) 2.828 2.900 ( 2.162 0.000 0.000) 2.162 3.046 ( -3.964 0.000 0.000) 3.964 3.107 ( 1.200 0.000 0.000) 1.200 3.300 ( 8.988 0.000 0.000) 8.988 3.350 ( -2.198 0.000 0.000) 2.198 3.405 ( -4.801 0.000 0.000) 4.801 3.407 ( -10.773 0.000 0.000) 10.773 3.507 ( 1.125 0.000 0.000) 1.125 3.615 ( -1.744 0.000 0.000) 1.744 3.738 ( -10.674 0.000 0.000) 10.674 3.789 ( 5.794 0.000 0.000) 5.794 3.883 ( -3.579 0.000 0.000) 3.579 3.883 ( 5.136 0.000 0.000) 5.136 4.067 ( -4.517 0.000 0.000) 4.517 4.277 ( -2.253 0.000 0.000) 2.253 4.305 ( 1.244 0.000 0.000) 1.244 4.306 ( -4.881 0.000 0.000) 4.881 4.445 ( 4.587 0.000 0.000) 4.587 4.495 ( 1.159 0.000 0.000) 1.159 4.522 ( -2.623 0.000 0.000) 2.623 4.611 ( -1.769 0.000 0.000) 1.769 4.905 ( -1.853 0.000 0.000) 1.853 5.187 ( -0.209 0.000 0.000) 0.209 5.280 ( -1.993 0.000 0.000) 1.993 5.354 ( -0.976 0.000 0.000) 0.976 5.414 ( 3.655 0.000 0.000) 3.655 5.442 ( 1.272 0.000 0.000) 1.272 5.459 ( 3.443 0.000 0.000) 3.443 5.489 ( 0.033 0.000 0.000) 0.033 5.631 ( 0.461 0.000 0.000) 0.461 5.747 ( -4.222 0.000 0.000) 4.222 5.906 ( -5.038 0.000 0.000) 5.038 6.559 ( 0.754 0.000 0.000) 0.754 6.614 ( -0.736 0.000 0.000) 0.736 6.638 ( 3.358 0.000 0.000) 3.358 6.694 ( 0.074 0.000 0.000) 0.074 6.838 ( 1.836 0.000 0.000) 1.836 6.942 ( 0.748 0.000 0.000) 0.748 7.451 ( 2.179 0.000 0.000) 2.179 7.975 ( -10.954 0.000 0.000) 10.954 8.054 ( -18.292 0.000 0.000) 18.292 8.135 ( 3.762 0.000 0.000) 3.762 8.227 ( -0.583 0.000 0.000) 0.583 8.576 ( 4.274 0.000 0.000) 4.274 8.826 ( -0.165 0.000 0.000) 0.165 9.107 ( -5.833 0.000 0.000) 5.833 9.446 ( 1.703 0.000 0.000) 1.703 9.497 ( -0.913 0.000 0.000) 0.913 9.497 ( -0.649 0.000 0.000) 0.649 9.586 ( 2.532 0.000 0.000) 2.532 9.911 ( -1.042 0.000 0.000) 1.042 10.013 ( -5.542 0.000 0.000) 5.542 11.507 ( 11.087 0.000 0.000) 11.087 11.545 ( 5.097 0.000 0.000) 5.097 12.177 ( -0.990 0.000 0.000) 0.990 12.194 ( 0.415 0.000 0.000) 0.415 12.292 ( -5.628 0.000 0.000) 5.628 12.389 ( 5.601 0.000 0.000) 5.601 12.622 ( 10.038 0.000 0.000) 10.038 12.710 ( 0.332 0.000 0.000) 0.332 12.811 ( -7.046 0.000 0.000) 7.046 13.036 ( 4.218 0.000 0.000) 4.218 13.117 ( -0.791 0.000 0.000) 0.791 13.465 ( 5.090 0.000 0.000) 5.090 13.540 ( 2.119 0.000 0.000) 2.119 13.653 ( 11.998 0.000 0.000) 11.998 14.173 ( -5.842 0.000 0.000) 5.842 14.443 ( -9.407 0.000 0.000) 9.407 14.586 ( -18.338 0.000 0.000) 18.338 15.199 ( -9.059 0.000 0.000) 9.059 15.332 ( 0.341 0.000 0.000) 0.341 15.431 ( 6.763 0.000 0.000) 6.763 15.565 ( -4.006 0.000 0.000) 4.006 15.700 ( -3.784 0.000 0.000) 3.784 15.838 ( -31.325 0.000 0.000) 31.325 16.452 ( 0.058 0.000 0.000) 0.058 16.546 ( 2.189 0.000 0.000) 2.189 16.666 ( 8.898 0.000 0.000) 8.898 16.869 ( -6.304 0.000 0.000) 6.304 16.932 ( 18.281 0.000 0.000) 18.281 17.581 ( 2.544 0.000 0.000) 2.544 17.647 ( -0.614 0.000 0.000) 0.614 17.718 ( -2.025 0.000 0.000) 2.025 17.886 ( 0.133 0.000 0.000) 0.133 ======================= Grid point 2 (3/45) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 14.167 0.000 0.000) 14.167 0.888 ( 18.698 0.000 0.000) 18.698 1.060 ( 6.798 0.000 0.000) 6.798 1.327 ( 12.746 0.000 0.000) 12.746 1.424 ( 0.076 0.000 0.000) 0.076 1.466 ( 3.902 0.000 0.000) 3.902 1.690 ( 5.003 0.000 0.000) 5.003 1.690 ( -1.712 0.000 0.000) 1.712 1.762 ( 2.140 0.000 0.000) 2.140 1.797 ( 38.258 0.000 0.000) 38.258 1.885 ( -1.919 0.000 0.000) 1.919 1.920 ( -3.166 0.000 0.000) 3.166 2.075 ( -1.360 0.000 0.000) 1.360 2.130 ( 7.652 0.000 0.000) 7.652 2.222 ( -0.155 0.000 0.000) 0.155 2.410 ( 3.744 0.000 0.000) 3.744 2.486 ( -1.078 0.000 0.000) 1.078 2.523 ( 9.168 0.000 0.000) 9.168 2.573 ( -4.554 0.000 0.000) 4.554 2.589 ( -2.663 0.000 0.000) 2.663 2.616 ( -3.286 0.000 0.000) 3.286 2.673 ( 0.737 0.000 0.000) 0.737 2.773 ( -3.069 0.000 0.000) 3.069 2.819 ( -4.531 0.000 0.000) 4.531 2.942 ( 1.388 0.000 0.000) 1.388 3.029 ( 0.919 0.000 0.000) 0.919 3.141 ( 2.124 0.000 0.000) 2.124 3.220 ( -7.127 0.000 0.000) 7.127 3.274 ( -5.183 0.000 0.000) 5.183 3.289 ( -6.332 0.000 0.000) 6.332 3.408 ( -1.968 0.000 0.000) 1.968 3.528 ( -6.411 0.000 0.000) 6.411 3.545 ( 3.325 0.000 0.000) 3.325 3.584 ( -0.841 0.000 0.000) 0.841 3.764 ( -8.392 0.000 0.000) 8.392 3.891 ( -11.112 0.000 0.000) 11.112 3.909 ( 5.003 0.000 0.000) 5.003 3.968 ( 3.668 0.000 0.000) 3.668 4.193 ( -5.352 0.000 0.000) 5.352 4.254 ( -0.036 0.000 0.000) 0.036 4.343 ( 1.412 0.000 0.000) 1.412 4.435 ( -6.488 0.000 0.000) 6.488 4.507 ( -8.376 0.000 0.000) 8.376 4.531 ( 2.397 0.000 0.000) 2.397 4.532 ( 3.836 0.000 0.000) 3.836 4.844 ( -4.411 0.000 0.000) 4.411 5.184 ( -0.084 0.000 0.000) 0.084 5.241 ( -1.758 0.000 0.000) 1.758 5.362 ( 1.893 0.000 0.000) 1.893 5.468 ( 1.016 0.000 0.000) 1.016 5.486 ( -0.234 0.000 0.000) 0.234 5.491 ( 3.229 0.000 0.000) 3.229 5.525 ( 2.358 0.000 0.000) 2.358 5.644 ( 1.045 0.000 0.000) 1.045 5.645 ( -5.193 0.000 0.000) 5.193 5.790 ( -5.465 0.000 0.000) 5.465 6.575 ( 0.736 0.000 0.000) 0.736 6.592 ( -1.158 0.000 0.000) 1.158 6.713 ( 2.053 0.000 0.000) 2.053 6.730 ( 5.475 0.000 0.000) 5.475 6.885 ( 2.465 0.000 0.000) 2.465 6.979 ( 3.114 0.000 0.000) 3.114 7.510 ( 3.629 0.000 0.000) 3.629 7.645 ( -21.053 0.000 0.000) 21.053 7.728 ( -13.084 0.000 0.000) 13.084 8.137 ( -8.011 0.000 0.000) 8.011 8.240 ( 6.355 0.000 0.000) 6.355 8.618 ( 0.166 0.000 0.000) 0.166 8.822 ( -0.177 0.000 0.000) 0.177 8.977 ( -5.942 0.000 0.000) 5.942 9.472 ( -1.292 0.000 0.000) 1.292 9.477 ( -1.241 0.000 0.000) 1.241 9.499 ( 3.388 0.000 0.000) 3.388 9.654 ( 3.513 0.000 0.000) 3.513 9.884 ( -1.538 0.000 0.000) 1.538 9.911 ( -3.988 0.000 0.000) 3.988 11.678 ( 7.452 0.000 0.000) 7.452 11.730 ( 9.082 0.000 0.000) 9.082 12.148 ( -1.235 0.000 0.000) 1.235 12.157 ( -6.467 0.000 0.000) 6.467 12.197 ( -0.321 0.000 0.000) 0.321 12.593 ( 14.643 0.000 0.000) 14.643 12.634 ( -10.115 0.000 0.000) 10.115 12.734 ( 2.317 0.000 0.000) 2.317 12.841 ( 10.096 0.000 0.000) 10.096 13.101 ( -0.634 0.000 0.000) 0.634 13.119 ( 3.443 0.000 0.000) 3.443 13.605 ( 4.516 0.000 0.000) 4.516 13.677 ( 15.539 0.000 0.000) 15.539 13.890 ( 9.822 0.000 0.000) 9.822 14.028 ( -7.427 0.000 0.000) 7.427 14.122 ( -25.638 0.000 0.000) 25.638 14.237 ( -9.348 0.000 0.000) 9.348 14.916 ( -18.520 0.000 0.000) 18.520 15.214 ( -29.548 0.000 0.000) 29.548 15.368 ( 3.750 0.000 0.000) 3.750 15.448 ( -11.272 0.000 0.000) 11.272 15.591 ( -3.183 0.000 0.000) 3.183 15.638 ( 13.661 0.000 0.000) 13.661 16.445 ( -0.768 0.000 0.000) 0.768 16.579 ( 0.099 0.000 0.000) 0.099 16.711 ( -8.516 0.000 0.000) 8.516 16.881 ( 11.387 0.000 0.000) 11.387 17.206 ( 8.987 0.000 0.000) 8.987 17.628 ( -1.253 0.000 0.000) 1.253 17.645 ( 3.539 0.000 0.000) 3.539 17.661 ( -3.312 0.000 0.000) 3.312 17.878 ( -1.113 0.000 0.000) 1.113 ======================= Grid point 3 (4/45) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 9.445 0.000 0.000) 9.445 1.079 ( 2.987 0.000 0.000) 2.987 1.341 ( 17.181 0.000 0.000) 17.181 1.446 ( 2.114 0.000 0.000) 2.114 1.536 ( 1.662 0.000 0.000) 1.662 1.548 ( 8.749 0.000 0.000) 8.749 1.654 ( -0.335 0.000 0.000) 0.335 1.760 ( 1.006 0.000 0.000) 1.006 1.789 ( 0.054 0.000 0.000) 0.054 1.819 ( -4.979 0.000 0.000) 4.979 1.907 ( 3.010 0.000 0.000) 3.010 2.026 ( -3.427 0.000 0.000) 3.427 2.215 ( 1.234 0.000 0.000) 1.234 2.297 ( 6.446 0.000 0.000) 6.446 2.438 ( 16.511 0.000 0.000) 16.511 2.438 ( -1.393 0.000 0.000) 1.393 2.454 ( -2.674 0.000 0.000) 2.674 2.467 ( -4.999 0.000 0.000) 4.999 2.508 ( 1.831 0.000 0.000) 1.831 2.586 ( -2.836 0.000 0.000) 2.836 2.680 ( 0.890 0.000 0.000) 0.890 2.761 ( -0.454 0.000 0.000) 0.454 2.769 ( 16.667 0.000 0.000) 16.667 2.816 ( 5.422 0.000 0.000) 5.422 2.952 ( 0.925 0.000 0.000) 0.925 3.035 ( -0.951 0.000 0.000) 0.951 3.125 ( -1.718 0.000 0.000) 1.718 3.162 ( -4.524 0.000 0.000) 4.524 3.170 ( -4.626 0.000 0.000) 4.626 3.194 ( 2.708 0.000 0.000) 2.708 3.235 ( -9.525 0.000 0.000) 9.525 3.448 ( -6.924 0.000 0.000) 6.924 3.568 ( -8.844 0.000 0.000) 8.844 3.591 ( 1.493 0.000 0.000) 1.493 3.662 ( 8.250 0.000 0.000) 8.250 3.706 ( -5.518 0.000 0.000) 5.518 3.924 ( -5.318 0.000 0.000) 5.318 3.985 ( -5.426 0.000 0.000) 5.426 4.115 ( -2.186 0.000 0.000) 2.186 4.261 ( -10.037 0.000 0.000) 10.037 4.271 ( 1.575 0.000 0.000) 1.575 4.345 ( -1.079 0.000 0.000) 1.079 4.384 ( 1.523 0.000 0.000) 1.523 4.583 ( 2.322 0.000 0.000) 2.322 4.593 ( 2.079 0.000 0.000) 2.079 4.720 ( -7.909 0.000 0.000) 7.909 5.184 ( 0.133 0.000 0.000) 0.133 5.210 ( -1.265 0.000 0.000) 1.265 5.419 ( 3.301 0.000 0.000) 3.301 5.479 ( 0.141 0.000 0.000) 0.141 5.484 ( -0.022 0.000 0.000) 0.022 5.524 ( 0.149 0.000 0.000) 0.149 5.540 ( -0.554 0.000 0.000) 0.554 5.555 ( -3.670 0.000 0.000) 3.670 5.677 ( 1.890 0.000 0.000) 1.890 5.719 ( -1.386 0.000 0.000) 1.386 6.578 ( -0.122 0.000 0.000) 0.122 6.585 ( 0.176 0.000 0.000) 0.176 6.785 ( 5.414 0.000 0.000) 5.414 6.843 ( 5.203 0.000 0.000) 5.203 6.925 ( 1.193 0.000 0.000) 1.193 7.073 ( 6.337 0.000 0.000) 6.337 7.245 ( -17.802 0.000 0.000) 17.802 7.466 ( -12.515 0.000 0.000) 12.515 7.600 ( 5.527 0.000 0.000) 5.527 7.939 ( -10.613 0.000 0.000) 10.613 8.378 ( 6.949 0.000 0.000) 6.949 8.590 ( -2.811 0.000 0.000) 2.811 8.822 ( 0.321 0.000 0.000) 0.321 8.885 ( -3.257 0.000 0.000) 3.257 9.448 ( -0.926 0.000 0.000) 0.926 9.452 ( -1.091 0.000 0.000) 1.091 9.581 ( 4.452 0.000 0.000) 4.452 9.698 ( 0.360 0.000 0.000) 0.360 9.855 ( -1.194 0.000 0.000) 1.194 9.855 ( -1.615 0.000 0.000) 1.615 11.813 ( 5.215 0.000 0.000) 5.215 11.848 ( 3.047 0.000 0.000) 3.047 12.077 ( -0.856 0.000 0.000) 0.856 12.153 ( 2.196 0.000 0.000) 2.196 12.172 ( -2.287 0.000 0.000) 2.287 12.423 ( -10.205 0.000 0.000) 10.205 12.812 ( 5.426 0.000 0.000) 5.426 12.905 ( 11.683 0.000 0.000) 11.683 13.007 ( 6.455 0.000 0.000) 6.455 13.106 ( 2.876 0.000 0.000) 2.876 13.153 ( -0.332 0.000 0.000) 0.332 13.631 ( -21.421 0.000 0.000) 21.421 13.727 ( 7.414 0.000 0.000) 7.414 13.945 ( 1.602 0.000 0.000) 1.602 13.948 ( 2.292 0.000 0.000) 2.292 14.118 ( 20.711 0.000 0.000) 20.711 14.121 ( -1.059 0.000 0.000) 1.059 14.509 ( -19.796 0.000 0.000) 19.796 14.658 ( -25.729 0.000 0.000) 25.729 15.091 ( -22.167 0.000 0.000) 22.167 15.482 ( 6.750 0.000 0.000) 6.750 15.594 ( 1.437 0.000 0.000) 1.437 15.957 ( 16.917 0.000 0.000) 16.917 16.429 ( -0.350 0.000 0.000) 0.350 16.488 ( -8.890 0.000 0.000) 8.890 16.576 ( -5.307 0.000 0.000) 5.307 17.098 ( 9.601 0.000 0.000) 9.601 17.302 ( 0.840 0.000 0.000) 0.840 17.599 ( -1.421 0.000 0.000) 1.421 17.601 ( -2.273 0.000 0.000) 2.273 17.716 ( 3.413 0.000 0.000) 3.413 17.840 ( -2.544 0.000 0.000) 2.544 ======================= Grid point 4 (5/45) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -3.155 0.000 0.000) 3.155 1.079 ( 3.155 0.000 0.000) 3.155 1.503 ( -3.253 0.000 0.000) 3.253 1.503 ( 3.253 0.000 0.000) 3.253 1.607 ( -6.326 0.000 0.000) 6.326 1.607 ( 6.326 0.000 0.000) 6.326 1.716 ( -4.987 0.000 0.000) 4.987 1.716 ( 4.987 0.000 0.000) 4.987 1.763 ( -1.419 0.000 0.000) 1.419 1.763 ( 1.419 0.000 0.000) 1.419 1.960 ( -2.684 0.000 0.000) 2.684 1.960 ( 2.684 0.000 0.000) 2.684 2.269 ( -4.264 0.000 0.000) 4.264 2.269 ( 4.264 0.000 0.000) 4.264 2.424 ( -0.388 0.000 0.000) 0.388 2.424 ( 0.388 0.000 0.000) 0.388 2.520 ( -4.024 0.000 0.000) 4.024 2.520 ( 4.024 0.000 0.000) 4.024 2.535 ( -1.022 0.000 0.000) 1.022 2.535 ( 1.022 0.000 0.000) 1.022 2.737 ( -3.203 0.000 0.000) 3.203 2.737 ( 3.203 0.000 0.000) 3.203 2.913 ( -1.239 0.000 0.000) 1.239 2.913 ( 1.239 0.000 0.000) 1.239 2.996 ( -0.262 0.000 0.000) 0.262 2.996 ( 0.262 0.000 0.000) 0.262 3.114 ( -1.302 0.000 0.000) 1.302 3.114 ( 1.302 0.000 0.000) 1.302 3.155 ( -1.634 0.000 0.000) 1.634 3.155 ( 1.634 0.000 0.000) 1.634 3.288 ( -6.863 0.000 0.000) 6.863 3.288 ( 6.863 0.000 0.000) 6.863 3.617 ( -16.876 0.000 0.000) 16.876 3.617 ( 16.876 0.000 0.000) 16.876 3.636 ( -2.662 0.000 0.000) 2.662 3.636 ( 2.662 0.000 0.000) 2.662 3.853 ( -9.188 0.000 0.000) 9.188 3.853 ( 9.188 0.000 0.000) 9.188 4.115 ( -2.937 0.000 0.000) 2.937 4.115 ( 2.937 0.000 0.000) 2.937 4.310 ( -2.090 0.000 0.000) 2.090 4.310 ( 2.090 0.000 0.000) 2.090 4.534 ( -9.877 0.000 0.000) 9.877 4.534 ( 9.877 0.000 0.000) 9.877 4.611 ( -0.314 0.000 0.000) 0.314 4.611 ( 0.314 0.000 0.000) 0.314 5.191 ( -0.631 0.000 0.000) 0.631 5.191 ( 0.631 0.000 0.000) 0.631 5.477 ( -0.982 0.000 0.000) 0.982 5.477 ( 0.982 0.000 0.000) 0.982 5.491 ( -2.197 0.000 0.000) 2.197 5.491 ( 2.197 0.000 0.000) 2.197 5.525 ( -0.475 0.000 0.000) 0.475 5.525 ( 0.475 0.000 0.000) 0.475 5.705 ( -0.780 0.000 0.000) 0.780 5.705 ( 0.780 0.000 0.000) 0.780 6.583 ( -0.338 0.000 0.000) 0.338 6.583 ( 0.338 0.000 0.000) 0.338 6.919 ( -2.024 0.000 0.000) 2.024 6.919 ( 2.024 0.000 0.000) 2.024 6.949 ( -11.287 0.000 0.000) 11.287 6.949 ( 11.287 0.000 0.000) 11.287 7.237 ( -9.900 0.000 0.000) 9.900 7.237 ( 9.900 0.000 0.000) 9.900 7.741 ( -8.528 0.000 0.000) 8.528 7.741 ( 8.528 0.000 0.000) 8.528 8.506 ( -5.468 0.000 0.000) 5.468 8.506 ( 5.468 0.000 0.000) 5.468 8.839 ( -1.457 0.000 0.000) 1.457 8.839 ( 1.457 0.000 0.000) 1.457 9.439 ( -0.134 0.000 0.000) 0.134 9.439 ( 0.134 0.000 0.000) 0.134 9.665 ( -3.355 0.000 0.000) 3.355 9.665 ( 3.355 0.000 0.000) 3.355 9.841 ( -0.081 0.000 0.000) 0.081 9.841 ( 0.081 0.000 0.000) 0.081 11.872 ( -0.638 0.000 0.000) 0.638 11.872 ( 0.638 0.000 0.000) 0.638 12.111 ( -3.259 0.000 0.000) 3.259 12.111 ( 3.259 0.000 0.000) 3.259 12.245 ( -6.956 0.000 0.000) 6.956 12.245 ( 6.956 0.000 0.000) 6.956 12.930 ( -5.043 0.000 0.000) 5.043 12.930 ( 5.043 0.000 0.000) 5.043 13.109 ( -3.770 0.000 0.000) 3.770 13.109 ( 3.770 0.000 0.000) 3.770 13.290 ( -12.868 0.000 0.000) 12.868 13.290 ( 12.868 0.000 0.000) 12.868 13.879 ( -6.734 0.000 0.000) 6.734 13.879 ( 6.734 0.000 0.000) 6.734 14.152 ( -16.856 0.000 0.000) 16.856 14.152 ( 16.856 0.000 0.000) 16.856 14.229 ( -13.048 0.000 0.000) 13.048 14.229 ( 13.048 0.000 0.000) 13.048 14.603 ( -25.225 0.000 0.000) 25.225 14.603 ( 25.225 0.000 0.000) 25.225 15.590 ( -2.831 0.000 0.000) 2.831 15.590 ( 2.831 0.000 0.000) 2.831 16.271 ( -13.162 0.000 0.000) 13.162 16.271 ( 13.162 0.000 0.000) 13.162 16.463 ( -4.399 0.000 0.000) 4.399 16.463 ( 4.399 0.000 0.000) 4.399 17.253 ( -5.435 0.000 0.000) 5.435 17.253 ( 5.435 0.000 0.000) 5.435 17.580 ( -0.202 0.000 0.000) 0.202 17.580 ( 0.202 0.000 0.000) 0.202 17.782 ( -3.119 0.000 0.000) 3.119 17.782 ( 3.119 0.000 0.000) 3.119 ======================= Grid point 9 (6/45) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.363 ( 0.000 19.016 0.000) 19.016 0.407 ( 0.000 20.625 0.000) 20.625 0.985 ( 0.000 32.322 0.000) 32.322 1.043 ( 0.000 9.374 0.000) 9.374 1.070 ( 0.000 19.372 0.000) 19.372 1.304 ( 0.000 -6.642 0.000) 6.642 1.444 ( 0.000 3.919 0.000) 3.919 1.696 ( 0.000 -2.735 0.000) 2.735 1.737 ( 0.000 2.836 0.000) 2.836 1.916 ( 0.000 -3.995 0.000) 3.995 1.979 ( 0.000 23.279 0.000) 23.279 1.982 ( 0.000 1.865 0.000) 1.865 2.068 ( 0.000 -2.161 0.000) 2.161 2.121 ( 0.000 -7.883 0.000) 7.883 2.186 ( 0.000 -2.601 0.000) 2.601 2.299 ( 0.000 -0.038 0.000) 0.038 2.430 ( 0.000 6.629 0.000) 6.629 2.456 ( 0.000 3.363 0.000) 3.363 2.605 ( 0.000 2.419 0.000) 2.419 2.641 ( 0.000 -1.670 0.000) 1.670 2.686 ( 0.000 -4.533 0.000) 4.533 2.853 ( 0.000 1.366 0.000) 1.366 2.916 ( 0.000 -0.669 0.000) 0.669 2.969 ( 0.000 0.705 0.000) 0.705 3.038 ( 0.000 -4.028 0.000) 4.028 3.151 ( 0.000 2.926 0.000) 2.926 3.156 ( 0.000 11.458 0.000) 11.458 3.166 ( 0.000 5.595 0.000) 5.595 3.231 ( 0.000 -17.341 0.000) 17.341 3.421 ( 0.000 1.503 0.000) 1.503 3.532 ( 0.000 7.502 0.000) 7.502 3.535 ( 0.000 -4.373 0.000) 4.373 3.627 ( 0.000 -5.471 0.000) 5.471 3.726 ( 0.000 -3.498 0.000) 3.498 3.730 ( 0.000 4.822 0.000) 4.822 3.899 ( 0.000 -1.648 0.000) 1.648 3.974 ( 0.000 5.966 0.000) 5.966 4.112 ( 0.000 2.978 0.000) 2.978 4.193 ( 0.000 -7.216 0.000) 7.216 4.223 ( 0.000 -5.461 0.000) 5.461 4.282 ( 0.000 -2.391 0.000) 2.391 4.381 ( 0.000 -0.918 0.000) 0.918 4.395 ( 0.000 -5.063 0.000) 5.063 4.474 ( 0.000 -8.678 0.000) 8.678 4.483 ( 0.000 7.552 0.000) 7.552 4.752 ( 0.000 9.684 0.000) 9.684 5.196 ( 0.000 0.351 0.000) 0.351 5.320 ( 0.000 -1.254 0.000) 1.254 5.323 ( 0.000 0.903 0.000) 0.903 5.434 ( 0.000 0.484 0.000) 0.484 5.451 ( 0.000 -1.293 0.000) 1.293 5.486 ( 0.000 -1.130 0.000) 1.130 5.508 ( 0.000 6.584 0.000) 6.584 5.523 ( 0.000 9.698 0.000) 9.698 5.682 ( 0.000 2.372 0.000) 2.372 5.953 ( 0.000 -35.178 0.000) 35.178 5.980 ( 0.000 -31.078 0.000) 31.078 6.008 ( 0.000 6.593 0.000) 6.593 6.344 ( 0.000 -16.387 0.000) 16.387 6.918 ( 0.000 12.307 0.000) 12.307 7.371 ( 0.000 22.010 0.000) 22.010 7.383 ( 0.000 -4.297 0.000) 4.297 7.468 ( 0.000 35.744 0.000) 35.744 7.660 ( 0.000 -21.914 0.000) 21.914 8.184 ( 0.000 7.991 0.000) 7.991 8.198 ( 0.000 6.472 0.000) 6.472 8.518 ( 0.000 3.274 0.000) 3.274 8.657 ( 0.000 11.128 0.000) 11.128 8.871 ( 0.000 4.500 0.000) 4.500 9.183 ( 0.000 2.943 0.000) 2.943 9.359 ( 0.000 -6.948 0.000) 6.948 9.382 ( 0.000 -9.918 0.000) 9.918 9.390 ( 0.000 -11.515 0.000) 11.515 9.392 ( 0.000 -10.409 0.000) 10.409 9.523 ( 0.000 -2.672 0.000) 2.672 10.021 ( 0.000 -6.544 0.000) 6.544 11.488 ( 0.000 10.596 0.000) 10.596 11.835 ( 0.000 1.838 0.000) 1.838 12.045 ( 0.000 -3.137 0.000) 3.137 12.129 ( 0.000 -5.503 0.000) 5.503 12.253 ( 0.000 -3.853 0.000) 3.853 12.333 ( 0.000 -2.820 0.000) 2.820 12.667 ( 0.000 11.800 0.000) 11.800 12.754 ( 0.000 4.350 0.000) 4.350 12.974 ( 0.000 -0.481 0.000) 0.481 13.117 ( 0.000 -1.346 0.000) 1.346 13.464 ( 0.000 -0.015 0.000) 0.015 13.475 ( 0.000 0.150 0.000) 0.150 13.551 ( 0.000 3.464 0.000) 3.464 13.877 ( 0.000 -4.327 0.000) 4.327 14.268 ( 0.000 3.292 0.000) 3.292 14.526 ( 0.000 -2.466 0.000) 2.466 14.839 ( 0.000 5.137 0.000) 5.137 15.003 ( 0.000 2.550 0.000) 2.550 15.320 ( 0.000 -1.293 0.000) 1.293 15.338 ( 0.000 -2.127 0.000) 2.127 15.587 ( 0.000 -0.981 0.000) 0.981 15.768 ( 0.000 5.302 0.000) 5.302 15.998 ( 0.000 -1.913 0.000) 1.913 16.175 ( 0.000 -15.150 0.000) 15.150 16.476 ( 0.000 2.554 0.000) 2.554 16.572 ( 0.000 0.293 0.000) 0.293 17.067 ( 0.000 12.606 0.000) 12.606 17.555 ( 0.000 0.186 0.000) 0.186 17.634 ( 0.000 -1.806 0.000) 1.806 17.668 ( 0.000 -6.168 0.000) 6.168 17.835 ( 0.000 1.468 0.000) 1.468 17.879 ( 0.000 -0.401 0.000) 0.401 ======================= Grid point 10 (7/45) ======================= q-point: ( 0.12 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 17.487 11.483 0.000) 20.921 0.754 ( 17.687 18.121 0.000) 25.321 1.068 ( 2.372 8.965 0.000) 9.273 1.124 ( 13.292 7.612 0.000) 15.318 1.251 ( 21.149 28.110 0.000) 35.178 1.339 ( 3.405 -6.068 0.000) 6.958 1.449 ( 0.242 3.400 0.000) 3.409 1.670 ( -2.856 2.237 0.000) 3.628 1.670 ( -2.147 -1.611 0.000) 2.685 1.918 ( 1.050 -6.280 0.000) 6.367 1.971 ( -2.629 4.897 0.000) 5.558 2.011 ( 2.356 21.490 0.000) 21.619 2.090 ( 1.834 -1.139 0.000) 2.158 2.119 ( -0.524 -9.201 0.000) 9.215 2.154 ( -2.555 1.203 0.000) 2.824 2.326 ( 3.758 -0.935 0.000) 3.872 2.429 ( 3.144 8.710 0.000) 9.260 2.446 ( -1.110 -0.345 0.000) 1.162 2.583 ( -2.367 0.716 0.000) 2.473 2.679 ( 0.952 2.589 0.000) 2.758 2.762 ( 4.949 -10.714 0.000) 11.802 2.806 ( -5.654 1.306 0.000) 5.803 2.877 ( -10.247 18.899 0.000) 21.498 2.882 ( -5.699 0.516 0.000) 5.722 2.903 ( -0.716 2.645 0.000) 2.741 3.083 ( -1.698 5.134 0.000) 5.407 3.084 ( 1.481 -1.785 0.000) 2.320 3.230 ( -0.372 -14.092 0.000) 14.097 3.303 ( 5.390 1.441 0.000) 5.580 3.394 ( -5.886 -1.300 0.000) 6.028 3.419 ( -3.088 5.906 0.000) 6.664 3.510 ( 1.003 1.801 0.000) 2.062 3.700 ( -3.623 4.284 0.000) 5.611 3.741 ( 3.006 -3.305 0.000) 4.468 3.743 ( -0.614 -1.052 0.000) 1.218 3.874 ( -2.562 -0.721 0.000) 2.661 3.902 ( -0.566 2.663 0.000) 2.723 4.079 ( -6.337 0.537 0.000) 6.360 4.184 ( -2.326 -4.179 0.000) 4.782 4.299 ( 2.518 -0.630 0.000) 2.596 4.336 ( 1.775 -5.207 0.000) 5.501 4.407 ( 0.897 -4.469 0.000) 4.558 4.459 ( -1.572 -7.625 0.000) 7.785 4.480 ( 0.677 6.010 0.000) 6.048 4.587 ( 9.692 -20.677 0.000) 22.836 4.739 ( -1.801 9.426 0.000) 9.596 5.194 ( -0.046 0.543 0.000) 0.545 5.299 ( -1.817 0.884 0.000) 2.020 5.313 ( -0.159 -1.537 0.000) 1.546 5.416 ( -0.100 -2.867 0.000) 2.869 5.479 ( -0.408 0.316 0.000) 0.517 5.523 ( 3.164 5.792 0.000) 6.600 5.546 ( 3.000 -6.603 0.000) 7.253 5.563 ( 3.294 8.258 0.000) 8.891 5.679 ( -0.333 1.652 0.000) 1.686 5.947 ( -4.753 1.315 0.000) 4.932 5.998 ( 0.681 -26.191 0.000) 26.200 6.032 ( 3.794 -30.189 0.000) 30.427 6.387 ( 3.509 -18.167 0.000) 18.503 6.953 ( 2.896 11.388 0.000) 11.750 7.366 ( -1.132 12.916 0.000) 12.966 7.403 ( 1.975 -4.200 0.000) 4.641 7.469 ( 0.181 35.671 0.000) 35.672 7.563 ( -8.224 -10.516 0.000) 13.350 8.130 ( -7.134 6.443 0.000) 9.613 8.222 ( 3.666 8.010 0.000) 8.809 8.437 ( -7.788 7.630 0.000) 10.903 8.659 ( 0.295 5.441 0.000) 5.449 8.867 ( -0.238 4.446 0.000) 4.452 9.132 ( -4.788 4.201 0.000) 6.370 9.374 ( 1.206 -7.707 0.000) 7.801 9.382 ( -0.434 -10.731 0.000) 10.740 9.391 ( -0.088 -9.775 0.000) 9.776 9.522 ( 8.563 -20.401 0.000) 22.125 9.534 ( 1.498 -4.574 0.000) 4.813 9.943 ( -6.344 -7.288 0.000) 9.663 11.612 ( 10.678 10.192 0.000) 14.761 11.798 ( -0.349 9.436 0.000) 9.442 12.130 ( 5.498 -4.789 0.000) 7.291 12.145 ( 0.339 -2.646 0.000) 2.667 12.283 ( -3.965 -1.103 0.000) 4.115 12.346 ( 8.634 -4.689 0.000) 9.825 12.682 ( 2.310 6.399 0.000) 6.803 12.725 ( -2.835 3.500 0.000) 4.504 12.892 ( -7.693 1.135 0.000) 7.776 13.097 ( -1.591 -2.638 0.000) 3.081 13.441 ( -19.654 20.492 0.000) 28.393 13.493 ( 6.643 2.858 0.000) 7.231 13.561 ( 0.039 2.423 0.000) 2.423 13.648 ( 11.792 -0.684 0.000) 11.812 14.209 ( -5.357 3.576 0.000) 6.441 14.430 ( -8.349 -1.390 0.000) 8.464 14.658 ( -16.385 7.090 0.000) 17.853 15.097 ( -2.168 -6.366 0.000) 6.725 15.324 ( 0.940 -0.661 0.000) 1.149 15.399 ( 6.024 -2.905 0.000) 6.688 15.519 ( -7.357 -4.022 0.000) 8.384 15.684 ( -8.551 3.561 0.000) 9.263 15.903 ( -16.646 0.271 0.000) 16.648 16.225 ( 11.027 -17.078 0.000) 20.328 16.481 ( 0.359 2.881 0.000) 2.903 16.658 ( 7.611 -1.028 0.000) 7.680 16.919 ( -11.591 12.481 0.000) 17.033 17.437 ( -11.136 12.138 0.000) 16.473 17.581 ( 2.369 0.076 0.000) 2.370 17.636 ( 0.250 -1.052 0.000) 1.081 17.722 ( -2.151 3.858 0.000) 4.417 17.892 ( 0.822 0.280 0.000) 0.868 ======================= Grid point 11 (8/45) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 18.245 6.633 0.000) 19.413 0.990 ( 8.295 21.854 0.000) 23.376 1.134 ( 4.430 7.465 0.000) 8.680 1.397 ( 10.694 6.086 0.000) 12.305 1.435 ( 5.990 -3.938 0.000) 7.169 1.450 ( 2.400 3.109 0.000) 3.928 1.626 ( -2.092 -0.697 0.000) 2.205 1.657 ( 3.458 -1.977 0.000) 3.983 1.828 ( 22.253 2.105 0.000) 22.353 1.905 ( -1.295 5.675 0.000) 5.821 1.956 ( 1.579 -6.362 0.000) 6.555 2.049 ( 1.148 13.724 0.000) 13.772 2.114 ( 1.098 -6.380 0.000) 6.473 2.145 ( 4.250 1.990 0.000) 4.693 2.182 ( 8.050 11.395 0.000) 13.952 2.415 ( 3.744 0.259 0.000) 3.753 2.422 ( -0.572 -7.507 0.000) 7.529 2.498 ( -5.223 -0.055 0.000) 5.224 2.506 ( 4.266 -0.229 0.000) 4.272 2.628 ( -5.630 2.278 0.000) 6.073 2.654 ( -10.016 -1.421 0.000) 10.116 2.749 ( -1.692 8.527 0.000) 8.693 2.787 ( -1.872 2.816 0.000) 3.382 2.863 ( 2.959 -1.487 0.000) 3.311 2.899 ( 0.991 6.877 0.000) 6.948 3.085 ( 0.382 5.762 0.000) 5.775 3.115 ( 0.493 -3.596 0.000) 3.630 3.230 ( 0.792 -5.509 0.000) 5.565 3.246 ( -4.878 2.198 0.000) 5.350 3.343 ( -3.756 6.297 0.000) 7.332 3.400 ( -2.609 -0.860 0.000) 2.748 3.547 ( 2.705 -0.754 0.000) 2.808 3.590 ( -5.954 5.577 0.000) 8.158 3.614 ( -4.172 3.376 0.000) 5.367 3.791 ( -5.428 2.365 0.000) 5.921 3.856 ( -0.800 -4.784 0.000) 4.850 3.886 ( -5.223 -1.962 0.000) 5.580 3.968 ( 3.744 0.907 0.000) 3.853 4.133 ( -2.434 -1.848 0.000) 3.057 4.334 ( -1.400 -2.321 0.000) 2.710 4.343 ( -0.028 2.441 0.000) 2.442 4.393 ( -2.978 -2.881 0.000) 4.143 4.425 ( -0.872 -3.610 0.000) 3.713 4.511 ( 1.698 0.462 0.000) 1.760 4.654 ( -0.576 -17.015 0.000) 17.024 4.667 ( -4.595 9.318 0.000) 10.389 5.197 ( 0.330 1.189 0.000) 1.234 5.263 ( -1.680 0.790 0.000) 1.857 5.334 ( 2.219 -1.783 0.000) 2.847 5.405 ( -0.944 -6.038 0.000) 6.111 5.468 ( -0.660 0.517 0.000) 0.838 5.583 ( 0.577 -5.064 0.000) 5.096 5.597 ( 3.893 5.492 0.000) 6.732 5.638 ( 3.742 7.340 0.000) 8.239 5.669 ( -0.605 3.284 0.000) 3.339 5.823 ( -6.635 5.783 0.000) 8.801 6.022 ( 1.478 -31.517 0.000) 31.552 6.063 ( 0.258 -25.760 0.000) 25.761 6.464 ( 4.133 -17.558 0.000) 18.038 7.029 ( 4.869 11.470 0.000) 12.461 7.239 ( -12.219 -23.700 0.000) 26.665 7.445 ( 1.253 10.738 0.000) 10.810 7.451 ( -1.251 29.983 0.000) 30.009 7.493 ( 3.159 20.400 0.000) 20.643 7.912 ( -13.704 8.839 0.000) 16.307 8.228 ( -12.201 5.839 0.000) 13.526 8.322 ( 5.955 7.604 0.000) 9.658 8.662 ( -0.307 2.862 0.000) 2.879 8.863 ( -0.084 4.356 0.000) 4.357 9.020 ( -5.491 5.257 0.000) 7.602 9.361 ( -0.985 -10.584 0.000) 10.630 9.383 ( -0.750 -8.519 0.000) 8.551 9.422 ( 3.045 -7.909 0.000) 8.475 9.585 ( 2.960 -6.645 0.000) 7.274 9.641 ( 3.497 -19.515 0.000) 19.826 9.819 ( -5.211 -9.249 0.000) 10.616 11.827 ( 8.754 9.166 0.000) 12.675 11.851 ( 4.833 11.634 0.000) 12.598 12.120 ( -2.863 -1.049 0.000) 3.049 12.207 ( -2.013 3.372 0.000) 3.928 12.215 ( 2.470 -0.029 0.000) 2.471 12.579 ( 13.951 -2.721 0.000) 14.214 12.622 ( -8.063 1.151 0.000) 8.145 12.757 ( -3.063 1.306 0.000) 3.330 12.775 ( 6.183 -3.769 0.000) 7.242 13.071 ( -0.768 -4.236 0.000) 4.305 13.216 ( -5.973 8.206 0.000) 10.150 13.553 ( -1.891 -4.244 0.000) 4.646 13.705 ( 12.968 2.823 0.000) 13.272 13.873 ( 8.564 -1.513 0.000) 8.697 14.096 ( -3.638 6.123 0.000) 7.122 14.258 ( -6.843 1.879 0.000) 7.096 14.265 ( -19.858 12.649 0.000) 23.545 14.876 ( -17.773 -4.258 0.000) 18.276 15.186 ( -23.766 -0.896 0.000) 23.783 15.376 ( 4.532 0.806 0.000) 4.603 15.447 ( -12.845 -1.318 0.000) 12.913 15.588 ( 12.605 -4.821 0.000) 13.495 15.690 ( -4.761 8.738 0.000) 9.950 16.400 ( 4.997 -18.215 0.000) 18.888 16.483 ( -0.246 3.894 0.000) 3.902 16.714 ( -8.712 8.224 0.000) 11.980 16.837 ( 9.142 -4.506 0.000) 10.192 17.307 ( -4.811 0.560 0.000) 4.844 17.626 ( 1.183 0.346 0.000) 1.232 17.658 ( 2.673 0.703 0.000) 2.764 17.700 ( -0.389 5.930 0.000) 5.943 17.895 ( -0.770 1.100 0.000) 1.343 ======================= Grid point 12 (9/45) ======================= q-point: ( 0.38 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 5.120 15.434 0.000) 16.261 1.166 ( 3.210 8.602 0.000) 9.181 1.351 ( 14.605 1.496 0.000) 14.682 1.463 ( 2.143 2.563 0.000) 3.341 1.571 ( 3.300 -3.988 0.000) 5.176 1.590 ( 2.626 4.989 0.000) 5.638 1.599 ( 5.007 4.923 0.000) 7.022 1.720 ( 3.269 -2.142 0.000) 3.908 1.841 ( -2.249 4.879 0.000) 5.373 1.929 ( -4.056 1.825 0.000) 4.448 2.071 ( 0.793 0.401 0.000) 0.889 2.074 ( 3.188 2.986 0.000) 4.368 2.188 ( 5.791 -8.609 0.000) 10.375 2.244 ( 3.750 2.589 0.000) 4.557 2.331 ( -0.989 3.881 0.000) 4.005 2.411 ( -3.697 -2.858 0.000) 4.673 2.459 ( -2.009 -4.127 0.000) 4.591 2.471 ( 1.222 -3.359 0.000) 3.574 2.476 ( -4.341 -3.275 0.000) 5.437 2.620 ( 11.297 9.298 0.000) 14.631 2.682 ( 3.491 -0.087 0.000) 3.492 2.718 ( 7.761 0.693 0.000) 7.792 2.781 ( 0.634 5.299 0.000) 5.337 2.913 ( 3.285 -0.014 0.000) 3.285 2.924 ( -0.531 6.516 0.000) 6.537 3.051 ( -3.966 2.061 0.000) 4.470 3.100 ( -1.709 -2.845 0.000) 3.319 3.158 ( -3.733 2.210 0.000) 4.338 3.196 ( -3.005 -0.592 0.000) 3.063 3.268 ( -5.277 2.717 0.000) 5.935 3.351 ( 4.140 10.119 0.000) 10.933 3.518 ( -5.761 5.752 0.000) 8.141 3.518 ( -4.173 -0.139 0.000) 4.176 3.628 ( 2.444 -1.394 0.000) 2.814 3.650 ( -7.248 -3.999 0.000) 8.278 3.734 ( 4.066 7.819 0.000) 8.813 3.951 ( -2.159 2.519 0.000) 3.318 4.001 ( -0.098 -1.966 0.000) 1.968 4.094 ( -1.510 -0.272 0.000) 1.535 4.190 ( -10.246 -4.938 0.000) 11.374 4.346 ( -1.606 -1.367 0.000) 2.109 4.352 ( 0.796 5.428 0.000) 5.486 4.400 ( -0.706 2.453 0.000) 2.553 4.504 ( -3.041 -10.176 0.000) 10.621 4.615 ( -0.185 4.495 0.000) 4.498 4.634 ( -0.507 -5.139 0.000) 5.164 5.206 ( 0.472 1.925 0.000) 1.982 5.234 ( -1.149 1.108 0.000) 1.596 5.383 ( 1.864 -3.873 0.000) 4.298 5.391 ( -0.192 -6.454 0.000) 6.457 5.465 ( 0.955 1.930 0.000) 2.153 5.566 ( -1.911 0.684 0.000) 2.029 5.651 ( -1.027 2.198 0.000) 2.426 5.672 ( 3.129 5.503 0.000) 6.330 5.699 ( 2.004 4.920 0.000) 5.313 5.706 ( -4.521 6.686 0.000) 8.071 6.052 ( 1.329 -31.703 0.000) 31.731 6.068 ( 0.323 -27.057 0.000) 27.059 6.564 ( 6.175 -16.825 0.000) 17.923 6.965 ( -13.471 -21.416 0.000) 25.301 7.157 ( 7.971 11.343 0.000) 13.864 7.449 ( 0.141 31.224 0.000) 31.224 7.456 ( 0.232 24.432 0.000) 24.433 7.594 ( 6.548 6.235 0.000) 9.042 7.621 ( -14.146 9.562 0.000) 17.075 7.976 ( -12.129 3.614 0.000) 12.656 8.448 ( 6.243 6.465 0.000) 8.987 8.636 ( -2.438 3.431 0.000) 4.209 8.866 ( 0.425 4.348 0.000) 4.368 8.930 ( -3.279 4.879 0.000) 5.879 9.346 ( -0.427 -9.406 0.000) 9.416 9.364 ( -1.047 -7.826 0.000) 7.896 9.495 ( 4.058 -8.958 0.000) 9.834 9.620 ( -0.164 -7.796 0.000) 7.798 9.686 ( 1.473 -15.145 0.000) 15.217 9.741 ( -2.485 -11.199 0.000) 11.471 11.946 ( 3.516 8.657 0.000) 9.343 11.950 ( 3.953 11.008 0.000) 11.696 12.084 ( 0.636 0.876 0.000) 1.083 12.206 ( 1.624 5.718 0.000) 5.944 12.217 ( -2.230 3.894 0.000) 4.487 12.436 ( -9.236 1.983 0.000) 9.446 12.771 ( 3.647 -3.824 0.000) 5.284 12.869 ( 12.525 -5.545 0.000) 13.697 12.879 ( 2.839 -7.396 0.000) 7.922 13.082 ( 2.756 -4.855 0.000) 5.583 13.119 ( -4.448 -2.211 0.000) 4.967 13.435 ( -10.085 -10.359 0.000) 14.457 13.876 ( 2.855 -1.427 0.000) 3.192 13.980 ( -6.772 14.717 0.000) 16.200 13.984 ( 4.648 -0.882 0.000) 4.731 14.198 ( 4.220 7.385 0.000) 8.506 14.225 ( 14.253 8.570 0.000) 16.631 14.476 ( -19.434 -3.650 0.000) 19.774 14.711 ( -22.476 6.059 0.000) 23.278 15.104 ( -20.749 0.193 0.000) 20.749 15.504 ( 7.473 2.393 0.000) 7.847 15.658 ( -0.019 6.666 0.000) 6.666 15.887 ( 16.091 -6.915 0.000) 17.514 16.394 ( -6.047 -13.578 0.000) 14.864 16.475 ( -0.217 4.814 0.000) 4.819 16.574 ( -4.878 5.838 0.000) 7.608 17.000 ( 6.768 -8.973 0.000) 11.239 17.205 ( -5.025 -9.190 0.000) 10.474 17.644 ( 1.041 3.653 0.000) 3.798 17.693 ( -0.616 7.435 0.000) 7.461 17.725 ( 3.522 0.757 0.000) 3.603 17.859 ( -2.667 1.395 0.000) 3.009 ======================= Grid point 13 (10/45) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -0.412 10.371 0.000) 10.379 1.189 ( 0.412 10.371 0.000) 10.379 1.514 ( -1.882 1.874 0.000) 2.656 1.514 ( 1.882 1.874 0.000) 2.656 1.578 ( -3.939 -0.564 0.000) 3.979 1.578 ( 3.939 -0.564 0.000) 3.979 1.752 ( -5.259 3.366 0.000) 6.244 1.752 ( 5.259 3.366 0.000) 6.244 1.827 ( -2.818 3.792 0.000) 4.724 1.827 ( 2.818 3.792 0.000) 4.724 2.084 ( -0.043 0.058 0.000) 0.073 2.084 ( 0.043 0.058 0.000) 0.073 2.265 ( -0.564 -0.009 0.000) 0.564 2.265 ( 0.564 -0.009 0.000) 0.564 2.323 ( -1.672 -2.267 0.000) 2.817 2.323 ( 1.672 -2.267 0.000) 2.817 2.438 ( -0.206 -1.523 0.000) 1.537 2.438 ( 0.206 -1.523 0.000) 1.537 2.600 ( -1.998 -0.931 0.000) 2.204 2.600 ( 1.998 -0.931 0.000) 2.204 2.777 ( -0.955 9.442 0.000) 9.490 2.777 ( 0.955 9.442 0.000) 9.490 2.854 ( -1.578 -4.543 0.000) 4.810 2.854 ( 1.578 -4.543 0.000) 4.810 2.964 ( -1.417 -2.299 0.000) 2.701 2.964 ( 1.417 -2.299 0.000) 2.701 3.139 ( -0.019 2.739 0.000) 2.739 3.139 ( 0.019 2.739 0.000) 2.739 3.201 ( -2.913 1.152 0.000) 3.133 3.201 ( 2.913 1.152 0.000) 3.133 3.392 ( -0.316 7.146 0.000) 7.153 3.392 ( 0.316 7.146 0.000) 7.153 3.552 ( -4.733 0.487 0.000) 4.758 3.552 ( 4.733 0.487 0.000) 4.759 3.736 ( -10.623 3.261 0.000) 11.112 3.736 ( 10.623 3.261 0.000) 11.112 3.920 ( -10.568 6.428 0.000) 12.369 3.920 ( 10.568 6.428 0.000) 12.369 4.069 ( -0.156 -3.271 0.000) 3.275 4.069 ( 0.156 -3.271 0.000) 3.275 4.365 ( -0.004 3.155 0.000) 3.155 4.365 ( 0.004 3.155 0.000) 3.155 4.416 ( -1.145 -8.601 0.000) 8.677 4.416 ( 1.145 -8.601 0.000) 8.677 4.626 ( -0.046 1.169 0.000) 1.170 4.626 ( 0.046 1.169 0.000) 1.170 5.216 ( -0.231 1.849 0.000) 1.863 5.216 ( 0.231 1.849 0.000) 1.863 5.394 ( -0.006 -5.732 0.000) 5.732 5.394 ( 0.006 -5.732 0.000) 5.732 5.513 ( -1.224 2.763 0.000) 3.022 5.513 ( 1.224 2.763 0.000) 3.022 5.647 ( -0.147 3.240 0.000) 3.243 5.647 ( 0.147 3.240 0.000) 3.243 5.713 ( -0.081 5.621 0.000) 5.622 5.713 ( 0.081 5.621 0.000) 5.622 6.069 ( -0.047 -29.679 0.000) 29.679 6.069 ( 0.047 -29.679 0.000) 29.679 6.725 ( -4.364 -17.843 0.000) 18.368 6.725 ( 4.364 -17.843 0.000) 18.368 7.352 ( -9.562 12.728 0.000) 15.920 7.352 ( 9.562 12.728 0.000) 15.920 7.460 ( -0.067 25.547 0.000) 25.547 7.460 ( 0.067 25.547 0.000) 25.547 7.756 ( -8.975 3.896 0.000) 9.784 7.756 ( 8.975 3.896 0.000) 9.784 8.562 ( -2.987 4.898 0.000) 5.737 8.562 ( 2.987 4.898 0.000) 5.737 8.884 ( -1.442 4.406 0.000) 4.636 8.884 ( 1.442 4.406 0.000) 4.636 9.347 ( -0.372 -8.228 0.000) 8.236 9.347 ( 0.372 -8.228 0.000) 8.236 9.576 ( -1.562 -9.210 0.000) 9.342 9.576 ( 1.562 -9.210 0.000) 9.342 9.710 ( -0.078 -12.234 0.000) 12.234 9.710 ( 0.078 -12.234 0.000) 12.234 11.986 ( -0.042 9.673 0.000) 9.673 11.986 ( 0.042 9.673 0.000) 9.673 12.144 ( -2.912 3.229 0.000) 4.348 12.144 ( 2.912 3.229 0.000) 4.348 12.279 ( -5.808 4.143 0.000) 7.135 12.279 ( 5.808 4.143 0.000) 7.135 12.862 ( -1.865 -6.735 0.000) 6.988 12.862 ( 1.865 -6.735 0.000) 6.988 13.027 ( -2.249 -6.027 0.000) 6.433 13.027 ( 2.249 -6.027 0.000) 6.433 13.219 ( -8.641 -7.232 0.000) 11.268 13.219 ( 8.641 -7.232 0.000) 11.268 13.922 ( -0.179 3.750 0.000) 3.755 13.922 ( 0.179 3.750 0.000) 3.755 14.152 ( -9.027 -2.149 0.000) 9.280 14.152 ( 9.027 -2.149 0.000) 9.280 14.329 ( -10.635 11.133 0.000) 15.396 14.329 ( 10.635 11.133 0.000) 15.396 14.650 ( -23.122 3.719 0.000) 23.419 14.650 ( 23.122 3.719 0.000) 23.419 15.629 ( -1.935 4.221 0.000) 4.644 15.629 ( 1.935 4.221 0.000) 4.644 16.192 ( -10.482 -8.690 0.000) 13.616 16.192 ( 10.482 -8.690 0.000) 13.616 16.497 ( -2.731 4.557 0.000) 5.313 16.497 ( 2.731 4.557 0.000) 5.313 17.111 ( -3.724 -11.841 0.000) 12.413 17.111 ( 3.724 -11.841 0.000) 12.413 17.671 ( -0.680 6.534 0.000) 6.570 17.671 ( 0.680 6.534 0.000) 6.570 17.796 ( -2.369 1.120 0.000) 2.620 17.796 ( 2.369 1.120 0.000) 2.620 ======================= Grid point 18 (11/45) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 0.000 18.036 0.000) 18.036 0.765 ( 0.000 16.150 0.000) 16.150 0.991 ( 0.000 -7.014 0.000) 7.014 1.028 ( 0.000 -13.038 0.000) 13.038 1.325 ( 0.000 10.709 0.000) 10.709 1.546 ( 0.000 -11.269 0.000) 11.269 1.553 ( 0.000 7.400 0.000) 7.400 1.703 ( 0.000 -5.684 0.000) 5.684 1.875 ( 0.000 36.239 0.000) 36.239 1.925 ( 0.000 3.370 0.000) 3.370 1.995 ( 0.000 -3.664 0.000) 3.664 2.029 ( 0.000 2.704 0.000) 2.704 2.056 ( 0.000 0.491 0.000) 0.491 2.163 ( 0.000 1.799 0.000) 1.799 2.254 ( 0.000 -4.903 0.000) 4.903 2.410 ( 0.000 15.571 0.000) 15.571 2.413 ( 0.000 -19.132 0.000) 19.132 2.519 ( 0.000 2.290 0.000) 2.290 2.573 ( 0.000 9.433 0.000) 9.433 2.647 ( 0.000 1.862 0.000) 1.862 2.744 ( 0.000 3.584 0.000) 3.584 2.748 ( 0.000 -8.279 0.000) 8.279 2.870 ( 0.000 -15.649 0.000) 15.649 2.917 ( 0.000 -7.616 0.000) 7.616 2.970 ( 0.000 3.059 0.000) 3.059 2.986 ( 0.000 0.783 0.000) 0.783 3.260 ( 0.000 5.505 0.000) 5.505 3.282 ( 0.000 4.422 0.000) 4.422 3.364 ( 0.000 7.557 0.000) 7.557 3.438 ( 0.000 -0.838 0.000) 0.838 3.455 ( 0.000 -2.014 0.000) 2.014 3.517 ( 0.000 -6.049 0.000) 6.049 3.775 ( 0.000 13.695 0.000) 13.695 3.783 ( 0.000 13.365 0.000) 13.365 3.797 ( 0.000 2.652 0.000) 2.652 3.872 ( 0.000 1.077 0.000) 1.077 4.043 ( 0.000 -8.491 0.000) 8.491 4.079 ( 0.000 5.070 0.000) 5.070 4.146 ( 0.000 -3.045 0.000) 3.045 4.162 ( 0.000 -16.439 0.000) 16.439 4.176 ( 0.000 2.208 0.000) 2.208 4.276 ( 0.000 -2.052 0.000) 2.052 4.305 ( 0.000 -7.395 0.000) 7.395 4.315 ( 0.000 -3.521 0.000) 3.521 4.664 ( 0.000 13.158 0.000) 13.158 4.948 ( 0.000 11.115 0.000) 11.115 5.065 ( 0.000 -27.903 0.000) 27.903 5.158 ( 0.000 -7.421 0.000) 7.421 5.306 ( 0.000 -0.262 0.000) 0.262 5.353 ( 0.000 -8.614 0.000) 8.614 5.407 ( 0.000 1.592 0.000) 1.592 5.434 ( 0.000 -0.729 0.000) 0.729 5.622 ( 0.000 2.882 0.000) 2.882 5.638 ( 0.000 -1.297 0.000) 1.297 5.644 ( 0.000 1.996 0.000) 1.996 5.660 ( 0.000 -2.756 0.000) 2.756 5.783 ( 0.000 9.974 0.000) 9.974 6.036 ( 0.000 -15.416 0.000) 15.416 6.310 ( 0.000 25.528 0.000) 25.528 6.906 ( 0.000 -34.802 0.000) 34.802 7.125 ( 0.000 9.322 0.000) 9.322 7.277 ( 0.000 -6.748 0.000) 6.748 8.049 ( 0.000 26.357 0.000) 26.357 8.070 ( 0.000 25.403 0.000) 25.403 8.313 ( 0.000 1.174 0.000) 1.174 8.322 ( 0.000 1.768 0.000) 1.768 8.549 ( 0.000 0.304 0.000) 0.304 8.656 ( 0.000 -7.391 0.000) 7.391 8.994 ( 0.000 8.019 0.000) 8.019 9.152 ( 0.000 -8.963 0.000) 8.963 9.158 ( 0.000 -11.043 0.000) 11.043 9.195 ( 0.000 -9.240 0.000) 9.240 9.209 ( 0.000 -5.102 0.000) 5.102 9.220 ( 0.000 -2.421 0.000) 2.421 9.588 ( 0.000 11.279 0.000) 11.279 9.836 ( 0.000 -12.395 0.000) 12.395 11.732 ( 0.000 13.695 0.000) 13.695 11.888 ( 0.000 3.719 0.000) 3.719 11.969 ( 0.000 -4.441 0.000) 4.441 11.972 ( 0.000 -10.813 0.000) 10.813 12.226 ( 0.000 0.868 0.000) 0.868 12.270 ( 0.000 -3.305 0.000) 3.305 12.853 ( 0.000 5.443 0.000) 5.443 12.890 ( 0.000 10.793 0.000) 10.793 12.940 ( 0.000 -3.295 0.000) 3.295 13.053 ( 0.000 -5.901 0.000) 5.901 13.467 ( 0.000 0.378 0.000) 0.378 13.475 ( 0.000 -0.286 0.000) 0.286 13.646 ( 0.000 6.189 0.000) 6.189 13.771 ( 0.000 -6.482 0.000) 6.482 14.354 ( 0.000 5.401 0.000) 5.401 14.456 ( 0.000 -4.807 0.000) 4.807 14.951 ( 0.000 5.753 0.000) 5.753 15.026 ( 0.000 -1.296 0.000) 1.296 15.296 ( 0.000 -0.842 0.000) 0.842 15.300 ( 0.000 -1.326 0.000) 1.326 15.641 ( 0.000 7.558 0.000) 7.558 15.864 ( 0.000 -14.396 0.000) 14.396 15.869 ( 0.000 5.089 0.000) 5.089 15.956 ( 0.000 -4.232 0.000) 4.232 16.532 ( 0.000 2.761 0.000) 2.761 16.568 ( 0.000 -0.969 0.000) 0.969 17.310 ( 0.000 12.177 0.000) 12.177 17.518 ( 0.000 -9.481 0.000) 9.481 17.565 ( 0.000 1.000 0.000) 1.000 17.595 ( 0.000 -2.046 0.000) 2.046 17.856 ( 0.000 0.819 0.000) 0.819 17.869 ( 0.000 -0.597 0.000) 0.597 ======================= Grid point 19 (12/45) ======================= q-point: ( 0.12 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 11.023 14.510 0.000) 18.222 1.019 ( 20.136 11.128 0.000) 23.006 1.097 ( 6.501 -10.639 0.000) 12.468 1.161 ( 15.094 -3.058 0.000) 15.401 1.335 ( 1.064 10.168 0.000) 10.223 1.518 ( -2.269 6.652 0.000) 7.028 1.552 ( 0.699 -10.725 0.000) 10.748 1.644 ( -3.490 -3.841 0.000) 5.190 1.872 ( -1.808 20.094 0.000) 20.175 1.888 ( -2.348 4.091 0.000) 4.717 1.988 ( -5.472 -2.242 0.000) 5.913 2.005 ( 0.326 -6.526 0.000) 6.534 2.093 ( -1.292 6.293 0.000) 6.424 2.148 ( 7.640 1.898 0.000) 7.873 2.308 ( 5.139 0.862 0.000) 5.211 2.379 ( -2.529 11.993 0.000) 12.257 2.477 ( -3.987 1.819 0.000) 4.382 2.500 ( 4.542 -12.494 0.000) 13.294 2.586 ( 1.197 5.882 0.000) 6.003 2.598 ( -4.384 2.105 0.000) 4.864 2.715 ( -4.588 -7.897 0.000) 9.133 2.761 ( 1.207 -0.591 0.000) 1.344 2.864 ( 1.039 -7.102 0.000) 7.178 2.947 ( -1.595 4.154 0.000) 4.450 2.965 ( -0.037 2.086 0.000) 2.086 2.985 ( 5.064 -9.721 0.000) 10.961 3.249 ( -0.107 9.051 0.000) 9.052 3.294 ( -4.419 12.619 0.000) 13.370 3.324 ( 0.434 -0.732 0.000) 0.851 3.400 ( -0.636 4.880 0.000) 4.921 3.445 ( -0.874 -4.210 0.000) 4.300 3.589 ( 4.394 -10.505 0.000) 11.387 3.703 ( -4.626 16.717 0.000) 17.345 3.767 ( -3.171 3.030 0.000) 4.386 3.848 ( 1.791 12.286 0.000) 12.416 3.863 ( -0.853 1.531 0.000) 1.753 3.980 ( -4.668 5.038 0.000) 6.868 4.054 ( -8.749 -3.732 0.000) 9.512 4.106 ( 3.603 -14.004 0.000) 14.459 4.179 ( 0.525 2.421 0.000) 2.478 4.189 ( 2.003 -16.413 0.000) 16.535 4.323 ( 3.455 -0.133 0.000) 3.458 4.323 ( 1.514 -9.962 0.000) 10.077 4.351 ( 2.244 -2.025 0.000) 3.023 4.667 ( 0.173 13.668 0.000) 13.669 4.938 ( -1.169 11.814 0.000) 11.872 5.058 ( -0.692 -25.933 0.000) 25.943 5.164 ( 0.608 -7.276 0.000) 7.301 5.298 ( -0.362 -0.212 0.000) 0.420 5.353 ( -0.029 -9.947 0.000) 9.947 5.390 ( -1.168 1.901 0.000) 2.231 5.431 ( 0.277 -2.545 0.000) 2.560 5.640 ( -0.556 0.127 0.000) 0.570 5.646 ( 2.681 4.770 0.000) 5.472 5.663 ( 0.331 -1.943 0.000) 1.971 5.717 ( 4.517 -3.690 0.000) 5.832 5.803 ( 1.922 9.570 0.000) 9.761 6.062 ( 2.480 -15.868 0.000) 16.061 6.267 ( -3.923 25.551 0.000) 25.850 6.848 ( -5.568 -33.357 0.000) 33.819 7.148 ( 2.271 9.002 0.000) 9.284 7.296 ( 1.986 -6.683 0.000) 6.972 8.031 ( -1.815 24.990 0.000) 25.056 8.082 ( 0.969 26.341 0.000) 26.358 8.259 ( -6.290 3.144 0.000) 7.032 8.347 ( 3.126 0.388 0.000) 3.150 8.494 ( -6.037 1.156 0.000) 6.146 8.630 ( -1.780 -8.528 0.000) 8.712 8.988 ( -0.517 7.743 0.000) 7.760 9.157 ( 0.672 -7.274 0.000) 7.305 9.176 ( 1.020 -13.115 0.000) 13.155 9.211 ( 0.034 -0.965 0.000) 0.966 9.225 ( 3.215 -10.218 0.000) 10.712 9.239 ( 1.404 -2.755 0.000) 3.092 9.520 ( -5.155 7.423 0.000) 9.038 9.746 ( -7.609 -12.709 0.000) 14.813 11.846 ( 9.559 13.043 0.000) 16.171 11.924 ( 3.675 5.526 0.000) 6.636 12.030 ( 5.356 -5.551 0.000) 7.714 12.059 ( 5.694 -7.954 0.000) 9.782 12.253 ( 0.565 -1.601 0.000) 1.697 12.261 ( 3.586 -2.276 0.000) 4.248 12.810 ( -4.098 4.683 0.000) 6.223 12.840 ( -3.642 9.196 0.000) 9.891 12.881 ( -5.457 -2.298 0.000) 5.921 13.002 ( -3.776 -7.220 0.000) 8.148 13.561 ( 9.322 3.737 0.000) 10.043 13.601 ( -5.317 3.181 0.000) 6.196 13.620 ( 10.982 -2.316 0.000) 11.224 13.631 ( -10.962 1.233 0.000) 11.031 14.297 ( -4.875 5.149 0.000) 7.091 14.384 ( -6.087 -3.592 0.000) 7.067 14.823 ( -11.825 9.219 0.000) 14.995 14.981 ( -5.899 -6.905 0.000) 9.082 15.316 ( 2.369 0.178 0.000) 2.376 15.342 ( 4.234 -2.516 0.000) 4.925 15.526 ( -10.753 5.131 0.000) 11.914 15.670 ( -14.465 -7.112 0.000) 16.119 15.904 ( -0.975 2.993 0.000) 3.148 16.003 ( 4.869 -7.117 0.000) 8.623 16.551 ( 1.732 4.084 0.000) 4.436 16.621 ( 4.555 -2.949 0.000) 5.426 17.176 ( -11.621 13.196 0.000) 17.583 17.396 ( -10.097 -9.267 0.000) 13.705 17.589 ( 2.199 0.828 0.000) 2.350 17.611 ( 1.637 -1.419 0.000) 2.167 17.837 ( -0.727 4.561 0.000) 4.618 17.886 ( 1.162 -1.113 0.000) 1.609 ======================= Grid point 20 (13/45) ======================= q-point: ( 0.25 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 14.643 8.813 0.000) 17.091 1.259 ( 8.342 -2.738 0.000) 8.780 1.359 ( 9.256 14.546 0.000) 17.241 1.379 ( 4.014 6.438 0.000) 7.587 1.490 ( 4.624 -0.030 0.000) 4.624 1.526 ( 13.462 6.367 0.000) 14.892 1.577 ( 1.746 -8.460 0.000) 8.638 1.639 ( 4.008 -1.065 0.000) 4.147 1.830 ( 0.069 -1.841 0.000) 1.843 1.865 ( 0.355 2.684 0.000) 2.708 1.876 ( -3.482 -9.352 0.000) 9.979 2.005 ( -0.106 -8.999 0.000) 9.000 2.097 ( 0.083 10.426 0.000) 10.427 2.290 ( 4.277 -6.772 0.000) 8.010 2.335 ( -1.336 6.499 0.000) 6.635 2.377 ( -5.070 1.144 0.000) 5.197 2.465 ( 9.009 6.159 0.000) 10.913 2.496 ( -4.976 0.626 0.000) 5.015 2.507 ( -2.103 0.576 0.000) 2.181 2.565 ( -8.625 -5.739 0.000) 10.360 2.634 ( 4.195 3.463 0.000) 5.440 2.806 ( 3.534 -3.407 0.000) 4.909 2.914 ( 2.582 1.091 0.000) 2.803 2.948 ( 1.782 8.968 0.000) 9.144 3.002 ( 3.030 2.676 0.000) 4.042 3.074 ( 2.295 -9.649 0.000) 9.918 3.228 ( -2.939 6.765 0.000) 7.376 3.229 ( -1.470 14.075 0.000) 14.152 3.278 ( -3.824 0.469 0.000) 3.852 3.412 ( -0.784 -4.707 0.000) 4.771 3.420 ( -0.036 7.444 0.000) 7.444 3.618 ( -3.788 12.198 0.000) 12.773 3.682 ( 4.150 -12.501 0.000) 13.171 3.687 ( -4.325 2.951 0.000) 5.235 3.713 ( -8.055 5.582 0.000) 9.800 3.824 ( -12.582 -4.718 0.000) 13.438 3.847 ( -0.266 6.122 0.000) 6.128 4.034 ( 3.594 6.412 0.000) 7.350 4.139 ( -0.235 -9.873 0.000) 9.876 4.202 ( -1.538 -9.891 0.000) 10.009 4.205 ( 1.952 -2.923 0.000) 3.514 4.355 ( 1.478 -10.728 0.000) 10.830 4.372 ( 0.756 0.469 0.000) 0.890 4.391 ( 1.773 -0.972 0.000) 2.021 4.672 ( 0.553 14.123 0.000) 14.134 4.891 ( -3.541 14.651 0.000) 15.073 5.043 ( -0.492 -22.676 0.000) 22.682 5.179 ( 0.386 -8.350 0.000) 8.359 5.304 ( 0.814 -0.867 0.000) 1.189 5.367 ( 2.203 -10.860 0.000) 11.082 5.371 ( -0.598 2.960 0.000) 3.020 5.449 ( 1.251 -5.588 0.000) 5.726 5.622 ( -0.998 -1.405 0.000) 1.723 5.664 ( -0.387 -2.769 0.000) 2.796 5.691 ( 1.014 4.368 0.000) 4.485 5.772 ( 1.013 -3.744 0.000) 3.879 5.849 ( 2.465 10.506 0.000) 10.791 6.130 ( 4.104 -16.767 0.000) 17.262 6.170 ( -5.244 24.663 0.000) 25.214 6.699 ( -8.680 -29.465 0.000) 30.717 7.216 ( 4.560 8.483 0.000) 9.631 7.358 ( 4.097 -6.449 0.000) 7.641 7.964 ( -5.665 17.339 0.000) 18.241 8.071 ( -11.793 5.412 0.000) 12.976 8.102 ( 0.965 28.108 0.000) 28.124 8.325 ( -9.040 8.994 0.000) 12.752 8.425 ( 4.196 -2.425 0.000) 4.847 8.601 ( -1.122 -11.837 0.000) 11.890 8.976 ( -0.535 7.269 0.000) 7.288 9.180 ( 1.343 -3.813 0.000) 4.042 9.180 ( -3.624 8.986 0.000) 9.689 9.200 ( 1.866 -13.722 0.000) 13.848 9.261 ( 0.710 -1.908 0.000) 2.035 9.309 ( 4.602 -12.887 0.000) 13.684 9.454 ( -0.789 -3.650 0.000) 3.734 9.589 ( -7.022 -13.404 0.000) 15.132 12.011 ( 5.083 8.050 0.000) 9.520 12.027 ( 5.953 7.460 0.000) 9.544 12.099 ( -0.683 -1.887 0.000) 2.007 12.154 ( 6.123 -5.676 0.000) 8.349 12.295 ( 5.194 6.557 0.000) 8.365 12.455 ( 12.240 -9.009 0.000) 15.198 12.692 ( -7.388 4.705 0.000) 8.759 12.757 ( -5.620 -1.643 0.000) 5.856 12.795 ( 0.016 5.445 0.000) 5.445 12.940 ( -1.915 -8.522 0.000) 8.735 13.364 ( -12.950 6.573 0.000) 14.522 13.468 ( -9.351 -4.678 0.000) 10.456 13.770 ( 9.444 3.591 0.000) 10.104 13.832 ( 8.220 -2.801 0.000) 8.684 14.219 ( -0.619 5.612 0.000) 5.646 14.280 ( -2.140 -0.548 0.000) 2.209 14.524 ( -16.377 13.261 0.000) 21.072 14.744 ( -17.010 -9.519 0.000) 19.493 15.234 ( -17.128 5.855 0.000) 18.101 15.369 ( -14.444 -6.727 0.000) 15.934 15.405 ( 6.714 2.609 0.000) 7.203 15.483 ( 9.838 -5.365 0.000) 11.205 15.872 ( -1.807 10.032 0.000) 10.193 16.088 ( 2.922 -13.450 0.000) 13.764 16.587 ( 1.495 6.661 0.000) 6.827 16.722 ( 4.825 -7.054 0.000) 8.546 16.934 ( -10.999 13.365 0.000) 17.309 17.180 ( -10.577 -11.339 0.000) 15.506 17.643 ( 2.949 1.161 0.000) 3.169 17.661 ( 3.209 -0.502 0.000) 3.248 17.833 ( -0.143 5.741 0.000) 5.743 17.897 ( -0.320 -1.280 0.000) 1.320 ======================= Grid point 21 (14/45) ======================= q-point: ( 0.38 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 5.784 8.870 0.000) 10.589 1.409 ( 9.647 4.092 0.000) 10.479 1.427 ( 0.429 13.494 0.000) 13.501 1.511 ( 6.942 -0.819 0.000) 6.990 1.524 ( 1.700 2.085 0.000) 2.690 1.634 ( 4.971 -5.341 0.000) 7.297 1.670 ( -0.668 2.320 0.000) 2.415 1.759 ( 3.540 5.062 0.000) 6.177 1.857 ( 3.356 -6.501 0.000) 7.316 1.882 ( 0.452 1.659 0.000) 1.719 1.957 ( 5.755 -9.229 0.000) 10.877 1.998 ( -0.986 -6.127 0.000) 6.206 2.107 ( 2.311 6.393 0.000) 6.798 2.273 ( -3.298 -0.213 0.000) 3.305 2.300 ( -2.166 -11.286 0.000) 11.492 2.322 ( -4.369 -4.380 0.000) 6.186 2.445 ( 3.147 1.202 0.000) 3.369 2.461 ( -0.076 -0.578 0.000) 0.583 2.468 ( 0.373 6.080 0.000) 6.091 2.587 ( 4.404 -6.389 0.000) 7.760 2.800 ( -2.275 8.279 0.000) 8.586 2.844 ( 9.095 5.138 0.000) 10.446 2.991 ( -0.869 7.754 0.000) 7.802 3.001 ( 7.046 -1.142 0.000) 7.138 3.016 ( -3.952 3.104 0.000) 5.025 3.041 ( -2.334 -4.934 0.000) 5.458 3.132 ( -5.081 6.903 0.000) 8.571 3.185 ( -2.324 0.411 0.000) 2.360 3.232 ( 0.272 14.166 0.000) 14.169 3.354 ( -5.674 10.608 0.000) 12.030 3.471 ( 3.784 -7.314 0.000) 8.235 3.553 ( -0.229 9.178 0.000) 9.180 3.579 ( -10.726 -3.363 0.000) 11.240 3.618 ( -0.524 2.874 0.000) 2.921 3.623 ( -0.895 1.230 0.000) 1.521 3.785 ( 3.886 -16.652 0.000) 17.100 3.871 ( 2.939 7.557 0.000) 8.109 4.033 ( -4.179 4.889 0.000) 6.432 4.105 ( -3.060 -8.753 0.000) 9.273 4.122 ( -5.464 -3.838 0.000) 6.677 4.249 ( 2.407 -1.041 0.000) 2.622 4.356 ( -2.070 2.699 0.000) 3.402 4.379 ( 0.961 -6.322 0.000) 6.394 4.410 ( 0.076 -1.802 0.000) 1.804 4.699 ( 2.123 13.006 0.000) 13.178 4.812 ( -3.692 16.402 0.000) 16.812 5.050 ( 1.335 -20.278 0.000) 20.322 5.158 ( -2.429 -13.671 0.000) 13.885 5.329 ( 1.610 1.662 0.000) 2.314 5.364 ( -0.234 4.002 0.000) 4.009 5.439 ( 3.797 -8.924 0.000) 9.699 5.473 ( 1.006 -7.486 0.000) 7.553 5.606 ( -0.479 -1.402 0.000) 1.481 5.664 ( 1.094 -4.451 0.000) 4.584 5.676 ( -2.238 3.701 0.000) 4.325 5.763 ( -1.749 -6.112 0.000) 6.357 5.908 ( 3.420 14.554 0.000) 14.950 6.069 ( -4.601 21.464 0.000) 21.952 6.225 ( 5.389 -17.899 0.000) 18.693 6.517 ( -8.896 -24.503 0.000) 26.068 7.336 ( 7.495 7.894 0.000) 10.885 7.464 ( 6.505 -5.472 0.000) 8.500 7.770 ( -12.695 6.846 0.000) 14.423 7.833 ( -11.129 3.127 0.000) 11.560 8.121 ( 0.929 28.906 0.000) 28.921 8.192 ( -3.900 22.449 0.000) 22.786 8.503 ( 3.316 -7.062 0.000) 7.801 8.581 ( -0.985 -13.101 0.000) 13.138 8.976 ( 0.732 8.377 0.000) 8.409 9.090 ( -4.576 12.033 0.000) 12.874 9.207 ( 1.442 -5.878 0.000) 6.053 9.259 ( 3.754 -8.956 0.000) 9.711 9.263 ( -0.589 -1.788 0.000) 1.882 9.397 ( 3.896 -13.135 0.000) 13.701 9.431 ( -3.409 -9.626 0.000) 10.212 9.491 ( -1.914 -12.256 0.000) 12.404 12.078 ( 2.450 3.724 0.000) 4.457 12.103 ( 2.296 0.479 0.000) 2.346 12.129 ( 3.082 7.322 0.000) 7.944 12.234 ( 0.766 -3.221 0.000) 3.311 12.397 ( 3.822 13.834 0.000) 14.352 12.545 ( -6.248 8.536 0.000) 10.579 12.659 ( 6.189 -12.433 0.000) 13.888 12.684 ( -1.138 -5.529 0.000) 5.645 12.850 ( 4.990 1.172 0.000) 5.126 12.941 ( 2.386 -7.890 0.000) 8.243 13.124 ( -10.360 3.632 0.000) 10.978 13.252 ( -11.179 -8.842 0.000) 14.253 13.890 ( 3.869 2.267 0.000) 4.485 13.943 ( 4.485 -2.867 0.000) 5.323 14.217 ( -13.169 10.071 0.000) 16.579 14.337 ( 9.086 5.291 0.000) 10.515 14.355 ( 11.679 3.619 0.000) 12.227 14.375 ( -17.514 -6.750 0.000) 18.769 14.880 ( -17.427 10.435 0.000) 20.312 15.051 ( -17.459 -6.294 0.000) 18.559 15.580 ( 9.833 5.777 0.000) 11.405 15.725 ( 13.355 -8.979 0.000) 16.093 15.838 ( -2.007 11.866 0.000) 12.034 16.100 ( -2.375 -15.380 0.000) 15.562 16.608 ( 0.839 8.935 0.000) 8.974 16.748 ( -7.389 11.578 0.000) 13.735 16.802 ( 3.146 -10.954 0.000) 11.397 16.988 ( -8.054 -12.828 0.000) 15.147 17.706 ( 3.344 2.485 0.000) 4.166 17.733 ( 3.756 -0.306 0.000) 3.769 17.817 ( -1.502 4.837 0.000) 5.065 17.869 ( -2.379 -0.767 0.000) 2.500 ======================= Grid point 22 (15/45) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -0.311 11.596 0.000) 11.600 1.416 ( 0.311 11.596 0.000) 11.600 1.540 ( -0.328 -1.115 0.000) 1.162 1.540 ( 0.328 -1.115 0.000) 1.162 1.613 ( -1.991 4.622 0.000) 5.033 1.613 ( 1.991 4.622 0.000) 5.033 1.762 ( -1.255 -6.803 0.000) 6.917 1.762 ( 1.255 -6.803 0.000) 6.917 1.886 ( -0.071 3.778 0.000) 3.778 1.886 ( 0.071 3.778 0.000) 3.778 1.974 ( -0.008 -3.135 0.000) 3.135 1.974 ( 0.008 -3.135 0.000) 3.135 2.198 ( -4.103 -1.721 0.000) 4.449 2.198 ( 4.103 -1.721 0.000) 4.449 2.266 ( -0.037 -7.319 0.000) 7.319 2.266 ( 0.037 -7.319 0.000) 7.319 2.492 ( -0.166 5.464 0.000) 5.467 2.492 ( 0.166 5.464 0.000) 5.467 2.586 ( -3.802 -3.311 0.000) 5.041 2.586 ( 3.802 -3.311 0.000) 5.041 2.824 ( -5.513 2.549 0.000) 6.074 2.824 ( 5.513 2.549 0.000) 6.074 2.904 ( -3.913 -4.199 0.000) 5.740 2.904 ( 3.913 -4.199 0.000) 5.740 3.103 ( -0.787 15.000 0.000) 15.021 3.103 ( 0.787 15.000 0.000) 15.021 3.169 ( -1.610 0.181 0.000) 1.620 3.169 ( 1.610 0.181 0.000) 1.620 3.234 ( -2.384 8.419 0.000) 8.750 3.234 ( 2.384 8.419 0.000) 8.750 3.447 ( -0.021 -2.692 0.000) 2.692 3.447 ( 0.021 -2.692 0.000) 2.692 3.622 ( -0.004 4.132 0.000) 4.132 3.622 ( 0.004 4.132 0.000) 4.132 3.726 ( -9.890 -5.345 0.000) 11.242 3.726 ( 9.890 -5.345 0.000) 11.242 3.960 ( -1.604 0.517 0.000) 1.685 3.960 ( 1.604 0.517 0.000) 1.685 4.039 ( -0.083 -4.498 0.000) 4.499 4.039 ( 0.083 -4.498 0.000) 4.499 4.303 ( -0.680 3.368 0.000) 3.436 4.303 ( 0.680 3.368 0.000) 3.436 4.399 ( -0.170 -3.063 0.000) 3.068 4.399 ( 0.170 -3.063 0.000) 3.068 4.749 ( -1.543 13.897 0.000) 13.983 4.749 ( 1.543 13.897 0.000) 13.983 5.097 ( -2.939 -17.837 0.000) 18.078 5.097 ( 2.939 -17.837 0.000) 18.078 5.355 ( -0.261 4.042 0.000) 4.050 5.355 ( 0.261 4.042 0.000) 4.050 5.483 ( -0.050 -8.674 0.000) 8.674 5.483 ( 0.050 -8.674 0.000) 8.674 5.622 ( -0.721 2.819 0.000) 2.910 5.622 ( 0.721 2.819 0.000) 2.910 5.712 ( -1.265 -6.905 0.000) 7.019 5.712 ( 1.265 -6.905 0.000) 7.019 5.983 ( -0.738 17.516 0.000) 17.531 5.983 ( 0.738 17.516 0.000) 17.531 6.352 ( -2.401 -20.310 0.000) 20.451 6.352 ( 2.401 -20.310 0.000) 20.451 7.523 ( -7.850 7.105 0.000) 10.588 7.523 ( 7.850 7.105 0.000) 10.588 7.623 ( -8.652 -2.887 0.000) 9.121 7.623 ( 8.652 -2.887 0.000) 9.121 8.144 ( -0.898 27.799 0.000) 27.813 8.144 ( 0.898 27.799 0.000) 27.813 8.554 ( -0.372 -11.361 0.000) 11.367 8.554 ( 0.372 -11.361 0.000) 11.367 9.012 ( -0.776 10.707 0.000) 10.735 9.012 ( 0.776 10.707 0.000) 10.735 9.239 ( -1.568 -4.020 0.000) 4.315 9.239 ( 1.568 -4.020 0.000) 4.315 9.344 ( -3.758 -9.245 0.000) 9.979 9.344 ( 3.758 -9.245 0.000) 9.979 9.459 ( -0.248 -12.303 0.000) 12.306 9.459 ( 0.248 -12.303 0.000) 12.306 12.130 ( -0.549 4.833 0.000) 4.864 12.130 ( 0.549 4.833 0.000) 4.864 12.183 ( -1.861 -0.479 0.000) 1.921 12.183 ( 1.861 -0.479 0.000) 1.921 12.458 ( -1.530 13.690 0.000) 13.776 12.458 ( 1.530 13.690 0.000) 13.776 12.698 ( -0.231 -10.373 0.000) 10.375 12.698 ( 0.231 -10.373 0.000) 10.375 12.960 ( -4.235 0.118 0.000) 4.237 12.960 ( 4.235 0.118 0.000) 4.237 13.051 ( -7.643 -8.636 0.000) 11.533 13.051 ( 7.643 -8.636 0.000) 11.533 14.003 ( -5.063 4.500 0.000) 6.773 14.003 ( 5.063 4.500 0.000) 6.773 14.087 ( -8.510 -4.156 0.000) 9.470 14.087 ( 8.510 -4.156 0.000) 9.470 14.558 ( -13.546 10.623 0.000) 17.215 14.558 ( 13.546 10.623 0.000) 17.215 14.682 ( -17.617 -1.876 0.000) 17.716 14.682 ( 17.617 -1.876 0.000) 17.717 15.757 ( -2.857 9.315 0.000) 9.743 15.757 ( 2.857 9.315 0.000) 9.743 15.974 ( -5.220 -12.645 0.000) 13.680 15.974 ( 5.220 -12.645 0.000) 13.680 16.641 ( -2.336 10.181 0.000) 10.446 16.641 ( 2.336 10.181 0.000) 10.446 16.867 ( -2.839 -12.942 0.000) 13.250 16.867 ( 2.839 -12.942 0.000) 13.250 17.772 ( -1.521 3.637 0.000) 3.943 17.772 ( 1.521 3.637 0.000) 3.943 17.808 ( -2.024 -0.301 0.000) 2.046 17.808 ( 2.024 -0.301 0.000) 2.046 ======================= Grid point 45 (16/45) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.393 ( 0.000 0.000 18.811) 18.811 0.430 ( 0.000 0.000 20.986) 20.986 0.869 ( 0.000 0.000 42.529) 42.529 0.996 ( 0.000 0.000 8.460) 8.460 1.004 ( 0.000 0.000 6.034) 6.034 1.385 ( 0.000 0.000 -1.513) 1.513 1.482 ( 0.000 0.000 10.173) 10.173 1.513 ( 0.000 0.000 -8.476) 8.476 1.610 ( 0.000 0.000 -6.762) 6.762 1.816 ( 0.000 0.000 -8.164) 8.164 1.824 ( 0.000 0.000 5.059) 5.059 2.010 ( 0.000 0.000 -2.802) 2.802 2.089 ( 0.000 0.000 4.605) 4.605 2.158 ( 0.000 0.000 7.901) 7.901 2.211 ( 0.000 0.000 -0.782) 0.782 2.284 ( 0.000 0.000 -1.122) 1.122 2.299 ( 0.000 0.000 2.747) 2.747 2.417 ( 0.000 0.000 -7.024) 7.024 2.485 ( 0.000 0.000 1.877) 1.877 2.698 ( 0.000 0.000 4.513) 4.513 2.750 ( 0.000 0.000 -4.433) 4.433 2.764 ( 0.000 0.000 -2.112) 2.112 2.843 ( 0.000 0.000 -11.003) 11.003 2.849 ( 0.000 0.000 8.959) 8.959 2.880 ( 0.000 0.000 -3.988) 3.988 2.927 ( 0.000 0.000 -7.690) 7.690 3.086 ( 0.000 0.000 -3.827) 3.827 3.160 ( 0.000 0.000 -16.104) 16.104 3.214 ( 0.000 0.000 3.758) 3.758 3.405 ( 0.000 0.000 -21.133) 21.133 3.454 ( 0.000 0.000 -2.684) 2.684 3.467 ( 0.000 0.000 -3.040) 3.040 3.613 ( 0.000 0.000 2.667) 2.667 3.713 ( 0.000 0.000 2.007) 2.007 3.820 ( 0.000 0.000 -4.211) 4.211 3.873 ( 0.000 0.000 -3.710) 3.710 3.895 ( 0.000 0.000 8.759) 8.759 4.179 ( 0.000 0.000 0.390) 0.390 4.334 ( 0.000 0.000 4.081) 4.081 4.353 ( 0.000 0.000 2.430) 2.430 4.405 ( 0.000 0.000 4.230) 4.230 4.476 ( 0.000 0.000 -0.500) 0.500 4.542 ( 0.000 0.000 -0.969) 0.969 4.584 ( 0.000 0.000 15.156) 15.156 4.636 ( 0.000 0.000 1.697) 1.697 5.022 ( 0.000 0.000 -0.184) 0.184 5.291 ( 0.000 0.000 -1.320) 1.320 5.326 ( 0.000 0.000 -3.831) 3.831 5.379 ( 0.000 0.000 -3.689) 3.689 5.388 ( 0.000 0.000 1.642) 1.642 5.410 ( 0.000 0.000 -1.972) 1.972 5.450 ( 0.000 0.000 0.246) 0.246 5.475 ( 0.000 0.000 -1.178) 1.178 5.581 ( 0.000 0.000 -3.932) 3.932 5.622 ( 0.000 0.000 0.271) 0.271 5.820 ( 0.000 0.000 -8.556) 8.556 6.585 ( 0.000 0.000 0.193) 0.193 6.616 ( 0.000 0.000 -0.480) 0.480 6.792 ( 0.000 0.000 6.178) 6.178 6.819 ( 0.000 0.000 0.001) 0.001 6.846 ( 0.000 0.000 13.952) 13.952 6.931 ( 0.000 0.000 16.894) 16.894 7.488 ( 0.000 0.000 3.695) 3.695 7.961 ( 0.000 0.000 -9.134) 9.134 8.151 ( 0.000 0.000 1.700) 1.700 8.280 ( 0.000 0.000 -2.500) 2.500 8.298 ( 0.000 0.000 5.852) 5.852 8.459 ( 0.000 0.000 -1.814) 1.814 8.851 ( 0.000 0.000 2.932) 2.932 9.177 ( 0.000 0.000 1.183) 1.183 9.373 ( 0.000 0.000 -5.759) 5.759 9.452 ( 0.000 0.000 -3.095) 3.095 9.499 ( 0.000 0.000 -0.358) 0.358 9.502 ( 0.000 0.000 -0.339) 0.339 10.099 ( 0.000 0.000 1.736) 1.736 10.371 ( 0.000 0.000 -4.083) 4.083 11.386 ( 0.000 0.000 0.835) 0.835 11.482 ( 0.000 0.000 -0.948) 0.948 12.075 ( 0.000 0.000 -0.028) 0.028 12.137 ( 0.000 0.000 -2.302) 2.302 12.232 ( 0.000 0.000 2.343) 2.343 12.326 ( 0.000 0.000 -0.392) 0.392 12.526 ( 0.000 0.000 1.635) 1.635 12.710 ( 0.000 0.000 0.173) 0.173 12.779 ( 0.000 0.000 -1.528) 1.528 12.883 ( 0.000 0.000 -7.855) 7.855 13.472 ( 0.000 0.000 -0.091) 0.091 13.484 ( 0.000 0.000 2.060) 2.060 13.492 ( 0.000 0.000 -1.272) 1.272 13.819 ( 0.000 0.000 -7.758) 7.758 13.938 ( 0.000 0.000 12.854) 12.854 14.354 ( 0.000 0.000 9.427) 9.427 14.707 ( 0.000 0.000 -7.552) 7.552 15.046 ( 0.000 0.000 -13.151) 13.151 15.370 ( 0.000 0.000 3.239) 3.239 15.595 ( 0.000 0.000 -2.523) 2.523 15.602 ( 0.000 0.000 12.896) 12.896 16.002 ( 0.000 0.000 -1.456) 1.456 16.145 ( 0.000 0.000 3.031) 3.031 16.342 ( 0.000 0.000 -1.657) 1.657 16.465 ( 0.000 0.000 1.562) 1.562 16.562 ( 0.000 0.000 1.362) 1.362 16.564 ( 0.000 0.000 -0.453) 0.453 16.857 ( 0.000 0.000 -5.085) 5.085 17.577 ( 0.000 0.000 1.006) 1.006 17.647 ( 0.000 0.000 -0.579) 0.579 17.747 ( 0.000 0.000 0.874) 0.874 17.862 ( 0.000 0.000 -1.939) 1.939 ======================= Grid point 46 (17/45) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 12.148 0.000 13.058) 17.834 0.598 ( 15.576 0.000 14.639) 21.375 1.015 ( 4.817 0.000 5.995) 7.691 1.107 ( 9.170 0.000 5.434) 10.659 1.297 ( 30.181 0.000 26.099) 39.900 1.391 ( 0.341 0.000 -2.048) 2.077 1.503 ( 3.262 0.000 1.422) 3.558 1.562 ( 3.737 0.000 3.173) 4.903 1.645 ( 2.990 0.000 -6.021) 6.722 1.781 ( -3.122 0.000 0.778) 3.217 1.823 ( 0.689 0.000 -4.960) 5.007 2.008 ( -0.993 0.000 -2.836) 3.005 2.071 ( -1.655 0.000 2.217) 2.766 2.145 ( -0.663 0.000 7.339) 7.369 2.221 ( -0.521 0.000 -0.655) 0.837 2.338 ( 4.224 0.000 -1.229) 4.399 2.344 ( 5.350 0.000 0.909) 5.426 2.416 ( 0.086 0.000 -7.101) 7.101 2.513 ( 2.715 0.000 3.193) 4.191 2.689 ( -0.705 0.000 3.926) 3.989 2.707 ( -6.977 0.000 -5.365) 8.802 2.769 ( 0.105 0.000 -4.492) 4.493 2.815 ( -3.613 0.000 5.021) 6.186 2.846 ( 1.964 0.000 -5.346) 5.696 2.884 ( 0.116 0.000 -1.400) 1.405 2.924 ( 0.894 0.000 -4.339) 4.430 3.166 ( 5.707 0.000 -8.586) 10.310 3.170 ( 0.833 0.000 -6.502) 6.555 3.186 ( -1.651 0.000 -3.936) 4.269 3.351 ( -4.706 0.000 -5.712) 7.401 3.412 ( -4.075 0.000 -7.468) 8.507 3.492 ( -2.756 0.000 -3.365) 4.350 3.570 ( 2.340 0.000 -7.055) 7.433 3.705 ( -2.139 0.000 3.002) 3.686 3.713 ( -5.832 0.000 -5.687) 8.146 3.773 ( -9.121 0.000 2.116) 9.363 3.931 ( 2.721 0.000 4.010) 4.846 4.109 ( -7.067 0.000 0.149) 7.069 4.253 ( -1.754 0.000 2.948) 3.431 4.316 ( -4.093 0.000 2.159) 4.627 4.441 ( -1.211 0.000 1.492) 1.922 4.445 ( -2.569 0.000 0.139) 2.573 4.512 ( 3.301 0.000 1.470) 3.614 4.605 ( -3.337 0.000 2.511) 4.176 4.703 ( 4.805 0.000 11.233) 12.217 4.992 ( -2.823 0.000 3.043) 4.151 5.263 ( -5.105 0.000 4.567) 6.849 5.273 ( -1.428 0.000 -0.525) 1.521 5.365 ( -1.359 0.000 0.773) 1.564 5.377 ( 3.357 0.000 -3.069) 4.549 5.428 ( 3.924 0.000 -2.686) 4.755 5.435 ( 1.756 0.000 -0.851) 1.952 5.489 ( 1.097 0.000 -0.094) 1.101 5.630 ( 0.673 0.000 0.294) 0.735 5.705 ( 0.410 0.000 -4.034) 4.055 5.803 ( -1.766 0.000 -7.508) 7.713 6.553 ( -1.599 0.000 1.053) 1.914 6.611 ( -0.534 0.000 -0.617) 0.816 6.806 ( 1.190 0.000 6.607) 6.713 6.822 ( -1.564 0.000 10.656) 10.770 6.842 ( 1.596 0.000 1.769) 2.383 6.975 ( 2.573 0.000 10.549) 10.858 7.476 ( -0.573 0.000 1.270) 1.394 7.879 ( -8.003 0.000 -8.059) 11.357 8.075 ( -15.441 0.000 2.614) 15.660 8.144 ( 0.317 0.000 1.517) 1.550 8.313 ( 0.276 0.000 5.467) 5.474 8.542 ( 4.428 0.000 -3.395) 5.579 8.845 ( -0.305 0.000 2.418) 2.437 9.105 ( -6.201 0.000 0.182) 6.204 9.398 ( 2.133 0.000 -4.894) 5.339 9.450 ( 0.582 0.000 -5.928) 5.956 9.489 ( -1.093 0.000 -0.590) 1.242 9.492 ( -0.414 0.000 -0.836) 0.933 10.031 ( -5.430 0.000 1.909) 5.756 10.135 ( -10.963 0.000 7.858) 13.488 11.506 ( 10.511 0.000 -0.010) 10.511 11.537 ( 5.186 0.000 -0.687) 5.231 12.144 ( -0.315 0.000 -1.197) 1.238 12.179 ( 1.444 0.000 -5.441) 5.629 12.240 ( 0.270 0.000 2.199) 2.215 12.362 ( 3.552 0.000 -2.308) 4.236 12.597 ( 6.531 0.000 -1.315) 6.662 12.732 ( 2.828 0.000 1.552) 3.226 12.784 ( -5.638 0.000 -3.284) 6.525 12.864 ( 5.154 0.000 -5.411) 7.473 13.472 ( 4.362 0.000 0.774) 4.430 13.476 ( -7.636 0.000 14.168) 16.095 13.537 ( -0.802 0.000 1.959) 2.116 13.642 ( 10.231 0.000 -0.825) 10.264 14.089 ( -1.728 0.000 -5.656) 5.914 14.462 ( 0.598 0.000 5.330) 5.364 14.520 ( -16.685 0.000 -6.526) 17.916 15.048 ( -1.798 0.000 -10.332) 10.488 15.349 ( -1.618 0.000 1.814) 2.431 15.550 ( -3.893 0.000 -2.326) 4.535 15.602 ( 0.561 0.000 11.813) 11.826 15.710 ( -12.846 0.000 1.774) 12.968 15.838 ( -29.430 0.000 -0.148) 29.430 16.201 ( 7.821 0.000 -12.621) 14.848 16.468 ( -0.390 0.000 1.791) 1.833 16.760 ( -3.652 0.000 -3.677) 5.182 16.918 ( 10.712 0.000 2.910) 11.100 16.932 ( 18.225 0.000 0.065) 18.225 17.603 ( 2.347 0.000 1.507) 2.789 17.646 ( -0.307 0.000 -0.140) 0.338 17.727 ( -1.987 0.000 1.007) 2.228 17.865 ( 0.191 0.000 -1.974) 1.984 ======================= Grid point 47 (18/45) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 12.344 0.000 8.267) 14.857 0.955 ( 17.354 0.000 7.440) 18.882 1.125 ( 6.675 0.000 5.872) 8.890 1.287 ( 7.939 0.000 0.256) 7.943 1.382 ( 0.462 0.000 -3.870) 3.898 1.610 ( 4.941 0.000 -2.946) 5.753 1.646 ( 4.424 0.000 9.865) 10.811 1.705 ( 4.000 0.000 -5.276) 6.621 1.730 ( -0.540 0.000 -0.150) 0.561 1.865 ( 3.778 0.000 -0.575) 3.821 1.934 ( 6.579 0.000 5.403) 8.514 2.008 ( 20.675 0.000 12.373) 24.095 2.035 ( -2.003 0.000 -2.240) 3.005 2.162 ( 2.921 0.000 3.165) 4.307 2.210 ( 1.218 0.000 -0.270) 1.247 2.381 ( -2.307 0.000 -10.203) 10.461 2.444 ( 4.044 0.000 2.671) 4.847 2.483 ( 4.588 0.000 1.159) 4.732 2.521 ( -0.172 0.000 -1.837) 1.846 2.631 ( 1.501 0.000 2.262) 2.714 2.656 ( -4.652 0.000 -0.955) 4.749 2.691 ( -3.802 0.000 0.240) 3.809 2.778 ( -0.016 0.000 2.198) 2.198 2.789 ( -5.305 0.000 -4.976) 7.273 2.941 ( 3.032 0.000 0.960) 3.181 2.965 ( 2.094 0.000 -3.742) 4.289 3.145 ( -2.218 0.000 -2.806) 3.577 3.193 ( 0.827 0.000 -1.063) 1.346 3.195 ( -3.503 0.000 -8.774) 9.447 3.279 ( -6.727 0.000 0.907) 6.788 3.333 ( -0.131 0.000 -10.894) 10.895 3.386 ( -3.640 0.000 -3.747) 5.224 3.546 ( -9.674 0.000 -7.953) 12.523 3.604 ( -2.215 0.000 0.808) 2.358 3.670 ( -1.311 0.000 3.828) 4.046 3.754 ( 9.029 0.000 -13.776) 16.472 3.903 ( -11.982 0.000 -0.896) 12.016 3.968 ( 0.693 0.000 -0.014) 0.693 4.227 ( -2.019 0.000 4.711) 5.126 4.238 ( -2.770 0.000 0.779) 2.878 4.405 ( -3.508 0.000 -1.428) 3.788 4.419 ( -0.836 0.000 0.909) 1.235 4.493 ( -6.691 0.000 2.831) 7.266 4.569 ( 2.597 0.000 1.718) 3.114 4.746 ( -0.473 0.000 11.764) 11.774 4.906 ( -6.090 0.000 4.984) 7.869 5.207 ( -1.456 0.000 2.134) 2.583 5.240 ( -1.739 0.000 0.024) 1.739 5.355 ( 0.350 0.000 -0.588) 0.684 5.414 ( -0.141 0.000 -3.610) 3.613 5.476 ( -0.005 0.000 -0.220) 0.220 5.507 ( 4.795 0.000 0.575) 4.829 5.547 ( 4.881 0.000 1.257) 5.040 5.642 ( -4.623 0.000 -0.785) 4.689 5.648 ( 1.208 0.000 0.415) 1.277 5.753 ( -2.507 0.000 -3.039) 3.939 6.538 ( 0.057 0.000 -1.158) 1.159 6.595 ( -0.974 0.000 -0.674) 1.184 6.789 ( -1.018 0.000 7.795) 7.862 6.837 ( 1.931 0.000 5.212) 5.558 6.887 ( 2.486 0.000 0.274) 2.501 7.017 ( 1.569 0.000 5.326) 5.553 7.451 ( -3.247 0.000 -3.829) 5.021 7.676 ( -11.128 0.000 -4.915) 12.165 7.769 ( -12.102 0.000 10.202) 15.829 8.113 ( -5.365 0.000 -0.579) 5.396 8.325 ( 2.582 0.000 5.761) 6.313 8.593 ( 0.682 0.000 -2.584) 2.673 8.843 ( 0.116 0.000 2.287) 2.290 8.978 ( -5.393 0.000 0.215) 5.398 9.450 ( 3.004 0.000 -4.880) 5.730 9.464 ( -0.327 0.000 -2.849) 2.867 9.467 ( -1.044 0.000 -0.466) 1.143 9.506 ( 2.416 0.000 -7.699) 8.069 9.929 ( -4.100 0.000 1.961) 4.545 9.994 ( -4.533 0.000 5.510) 7.135 11.670 ( 7.212 0.000 -0.585) 7.236 11.724 ( 9.152 0.000 -0.708) 9.179 12.116 ( -5.390 0.000 -2.713) 6.034 12.118 ( -1.675 0.000 -1.248) 2.089 12.228 ( -1.518 0.000 1.034) 1.837 12.427 ( -0.831 0.000 -9.425) 9.462 12.721 ( 5.538 0.000 -0.704) 5.583 12.731 ( 5.132 0.000 3.114) 6.004 12.852 ( 7.923 0.000 0.906) 7.974 12.972 ( 4.288 0.000 -4.379) 6.129 13.339 ( -4.825 0.000 11.575) 12.540 13.607 ( 5.526 0.000 0.469) 5.546 13.637 ( 9.393 0.000 -3.346) 9.971 13.818 ( 5.832 0.000 -5.280) 7.867 14.000 ( -5.351 0.000 -1.966) 5.701 14.135 ( -17.422 0.000 -0.524) 17.430 14.323 ( -10.402 0.000 8.086) 13.175 14.910 ( -12.267 0.000 -2.413) 12.502 15.144 ( -25.220 0.000 -2.785) 25.373 15.415 ( -12.148 0.000 -3.412) 12.618 15.423 ( -1.717 0.000 3.537) 3.932 15.562 ( -1.832 0.000 -2.196) 2.860 15.728 ( 10.771 0.000 8.069) 13.458 16.385 ( 8.901 0.000 -13.371) 16.063 16.454 ( -1.059 0.000 0.953) 1.425 16.626 ( -7.815 0.000 -3.918) 8.742 17.070 ( 5.100 0.000 8.895) 10.253 17.204 ( 8.798 0.000 -0.191) 8.800 17.630 ( -1.246 0.000 0.206) 1.263 17.646 ( -0.122 0.000 -0.137) 0.183 17.684 ( -0.181 0.000 2.380) 2.387 17.860 ( -0.883 0.000 -1.746) 1.957 ======================= Grid point 48 (19/45) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 8.646 0.000 6.135) 10.601 1.145 ( 2.562 0.000 6.269) 6.773 1.343 ( 9.458 0.000 -0.968) 9.508 1.430 ( 5.572 0.000 -2.420) 6.075 1.461 ( 10.724 0.000 2.667) 11.050 1.619 ( -0.801 0.000 -2.050) 2.201 1.729 ( 3.514 0.000 6.723) 7.586 1.762 ( 0.628 0.000 -1.804) 1.910 1.795 ( 3.530 0.000 3.730) 5.136 1.866 ( -4.469 0.000 3.442) 5.641 1.949 ( 3.019 0.000 3.596) 4.695 1.990 ( -2.105 0.000 -3.976) 4.499 2.197 ( 1.717 0.000 -1.029) 2.002 2.229 ( 0.151 0.000 -5.031) 5.033 2.324 ( 1.345 0.000 -8.553) 8.658 2.408 ( -0.688 0.000 -1.184) 1.370 2.454 ( 1.722 0.000 0.081) 1.723 2.486 ( -6.446 0.000 -0.219) 6.450 2.554 ( 2.453 0.000 2.777) 3.706 2.602 ( -1.411 0.000 -0.868) 1.656 2.672 ( 1.306 0.000 -0.726) 1.494 2.723 ( 3.756 0.000 0.337) 3.771 2.817 ( 3.532 0.000 -0.720) 3.605 2.820 ( 14.451 0.000 1.760) 14.558 2.975 ( 1.261 0.000 1.463) 1.931 2.989 ( 0.269 0.000 -3.310) 3.321 3.103 ( -1.554 0.000 -1.965) 2.506 3.127 ( -1.885 0.000 -3.122) 3.647 3.164 ( -3.791 0.000 1.152) 3.962 3.196 ( -7.167 0.000 -5.750) 9.188 3.210 ( 0.924 0.000 0.876) 1.273 3.368 ( -3.727 0.000 -4.377) 5.749 3.422 ( -2.376 0.000 -8.117) 8.457 3.584 ( 0.662 0.000 -0.474) 0.815 3.680 ( -2.508 0.000 -1.038) 2.714 3.715 ( 0.956 0.000 3.319) 3.454 3.883 ( -2.549 0.000 -6.464) 6.949 3.962 ( -1.375 0.000 -3.637) 3.888 4.174 ( -2.651 0.000 4.715) 5.410 4.181 ( -3.247 0.000 1.136) 3.440 4.302 ( -1.254 0.000 -3.675) 3.883 4.397 ( -1.510 0.000 0.994) 1.808 4.407 ( -1.834 0.000 6.414) 6.671 4.619 ( 2.294 0.000 1.166) 2.574 4.707 ( -2.524 0.000 7.333) 7.756 4.734 ( -10.897 0.000 3.196) 11.356 5.189 ( -0.427 0.000 0.506) 0.662 5.208 ( -1.310 0.000 -0.086) 1.312 5.369 ( 0.736 0.000 -3.132) 3.218 5.393 ( -1.275 0.000 -4.508) 4.685 5.464 ( -0.492 0.000 -0.020) 0.492 5.529 ( -3.108 0.000 -0.508) 3.149 5.625 ( 3.193 0.000 3.983) 5.105 5.634 ( 3.070 0.000 5.264) 6.094 5.679 ( 1.761 0.000 0.274) 1.783 5.719 ( -0.957 0.000 -0.058) 0.959 6.549 ( 0.767 0.000 -2.569) 2.681 6.576 ( -0.786 0.000 -0.947) 1.231 6.799 ( 2.304 0.000 1.924) 3.001 6.881 ( 2.168 0.000 2.680) 3.447 6.929 ( 1.289 0.000 0.253) 1.313 7.014 ( -3.037 0.000 -4.154) 5.146 7.329 ( -5.359 0.000 6.002) 8.047 7.464 ( -9.231 0.000 -0.181) 9.232 7.675 ( 1.612 0.000 7.290) 7.466 7.947 ( -9.540 0.000 0.845) 9.577 8.412 ( 5.145 0.000 2.934) 5.923 8.576 ( -2.195 0.000 -1.372) 2.589 8.850 ( 0.546 0.000 2.659) 2.714 8.900 ( -2.503 0.000 1.505) 2.921 9.449 ( -0.659 0.000 0.086) 0.665 9.450 ( -0.688 0.000 -0.417) 0.804 9.513 ( 2.997 0.000 -6.443) 7.106 9.554 ( 1.608 0.000 -10.283) 10.408 9.873 ( -1.347 0.000 1.763) 2.219 9.920 ( -2.986 0.000 3.288) 4.441 11.798 ( 4.876 0.000 -1.187) 5.019 11.842 ( 2.704 0.000 -0.562) 2.762 12.040 ( -0.953 0.000 -2.898) 3.051 12.103 ( 0.472 0.000 -2.535) 2.578 12.176 ( -3.455 0.000 -1.887) 3.937 12.312 ( -7.759 0.000 -8.607) 11.588 12.850 ( 7.149 0.000 3.565) 7.988 12.958 ( 9.633 0.000 3.038) 10.100 12.996 ( 6.279 0.000 -0.846) 6.335 13.038 ( 5.057 0.000 -2.631) 5.701 13.265 ( -2.992 0.000 6.540) 7.192 13.536 ( -14.416 0.000 -6.374) 15.762 13.739 ( 6.627 0.000 1.068) 6.713 13.934 ( 0.887 0.000 -0.410) 0.978 13.947 ( -3.400 0.000 -3.459) 4.850 14.080 ( 17.520 0.000 -1.366) 17.573 14.173 ( -1.952 0.000 5.083) 5.445 14.588 ( -18.121 0.000 -0.253) 18.123 14.633 ( -21.949 0.000 4.170) 22.342 15.065 ( -21.275 0.000 -2.779) 21.456 15.495 ( 5.961 0.000 1.149) 6.070 15.582 ( 2.098 0.000 -1.122) 2.379 16.009 ( 15.259 0.000 4.930) 16.036 16.433 ( -0.537 0.000 0.426) 0.686 16.453 ( -7.299 0.000 -4.839) 8.757 16.510 ( 0.491 0.000 -3.673) 3.706 17.161 ( 4.580 0.000 4.824) 6.652 17.297 ( 0.813 0.000 -0.503) 0.956 17.599 ( -1.588 0.000 -0.025) 1.589 17.599 ( -2.242 0.000 -0.100) 2.245 17.728 ( 2.694 0.000 1.165) 2.935 17.829 ( -2.128 0.000 -1.118) 2.404 ======================= Grid point 49 (20/45) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -2.910 0.000 5.301) 6.047 1.137 ( 2.910 0.000 5.301) 6.047 1.448 ( -3.068 0.000 -3.583) 4.717 1.448 ( 3.068 0.000 -3.583) 4.717 1.673 ( -1.548 0.000 2.462) 2.908 1.673 ( 1.548 0.000 2.462) 2.908 1.740 ( -4.305 0.000 4.954) 6.563 1.740 ( 4.305 0.000 4.954) 6.563 1.801 ( -1.465 0.000 3.346) 3.653 1.801 ( 1.465 0.000 3.346) 3.653 1.968 ( -0.001 0.000 -0.288) 0.288 1.968 ( 0.001 0.000 -0.288) 0.288 2.228 ( -0.011 0.000 -3.898) 3.898 2.228 ( 0.011 0.000 -3.898) 3.898 2.368 ( -0.029 0.000 -4.196) 4.196 2.368 ( 0.029 0.000 -4.196) 4.196 2.398 ( -0.314 0.000 -6.066) 6.074 2.398 ( 0.314 0.000 -6.066) 6.074 2.610 ( -0.110 0.000 1.447) 1.451 2.610 ( 0.110 0.000 1.447) 1.451 2.729 ( -1.572 0.000 -0.568) 1.671 2.729 ( 1.572 0.000 -0.568) 1.671 2.893 ( -1.212 0.000 -2.567) 2.839 2.893 ( 1.212 0.000 -2.567) 2.839 2.991 ( -0.296 0.000 -0.546) 0.621 2.991 ( 0.296 0.000 -0.546) 0.621 3.090 ( -0.045 0.000 -3.038) 3.038 3.090 ( 0.045 0.000 -3.038) 3.038 3.144 ( -1.027 0.000 -0.481) 1.134 3.144 ( 1.027 0.000 -0.481) 1.134 3.272 ( -4.191 0.000 -0.577) 4.231 3.272 ( 4.191 0.000 -0.577) 4.231 3.577 ( -7.650 0.000 -2.259) 7.977 3.577 ( 7.650 0.000 -2.259) 7.977 3.647 ( -2.676 0.000 1.791) 3.220 3.647 ( 2.676 0.000 1.791) 3.220 3.856 ( -7.658 0.000 0.318) 7.664 3.856 ( 7.658 0.000 0.318) 7.664 4.144 ( -0.084 0.000 2.729) 2.730 4.144 ( 0.084 0.000 2.729) 2.730 4.358 ( -1.454 0.000 -0.833) 1.676 4.358 ( 1.454 0.000 -0.833) 1.676 4.495 ( -10.430 0.000 1.614) 10.554 4.495 ( 10.430 0.000 1.614) 10.554 4.662 ( -1.602 0.000 2.581) 3.038 4.662 ( 1.602 0.000 2.581) 3.038 5.190 ( -0.139 0.000 -0.048) 0.147 5.190 ( 0.139 0.000 -0.048) 0.147 5.378 ( -0.014 0.000 -4.693) 4.693 5.378 ( 0.014 0.000 -4.693) 4.693 5.475 ( -0.788 0.000 -0.209) 0.815 5.475 ( 0.788 0.000 -0.209) 0.815 5.664 ( -0.002 0.000 6.940) 6.940 5.664 ( 0.002 0.000 6.940) 6.940 5.706 ( -0.089 0.000 0.080) 0.120 5.706 ( 0.089 0.000 0.080) 0.120 6.563 ( -0.022 0.000 -2.060) 2.060 6.563 ( 0.022 0.000 -2.060) 2.060 6.881 ( -0.826 0.000 -3.398) 3.497 6.881 ( 0.826 0.000 -3.398) 3.497 6.936 ( -0.009 0.000 0.100) 0.100 6.936 ( 0.009 0.000 0.100) 0.100 7.325 ( -0.729 0.000 6.704) 6.744 7.325 ( 0.729 0.000 6.704) 6.744 7.771 ( -7.220 0.000 2.899) 7.781 7.771 ( 7.220 0.000 2.899) 7.781 8.510 ( -3.351 0.000 0.355) 3.369 8.510 ( 3.351 0.000 0.355) 3.369 8.866 ( -0.576 0.000 2.534) 2.599 8.866 ( 0.576 0.000 2.534) 2.599 9.442 ( -0.002 0.000 0.227) 0.227 9.442 ( 0.002 0.000 0.227) 0.227 9.559 ( -0.841 0.000 -8.858) 8.898 9.559 ( 0.841 0.000 -8.858) 8.898 9.874 ( -0.304 0.000 2.134) 2.156 9.874 ( 0.304 0.000 2.134) 2.156 11.856 ( -0.355 0.000 -1.336) 1.382 11.856 ( 0.355 0.000 -1.336) 1.382 12.076 ( -2.584 0.000 -2.760) 3.781 12.076 ( 2.584 0.000 -2.760) 3.781 12.176 ( -4.752 0.000 -5.938) 7.606 12.176 ( 4.752 0.000 -5.938) 7.606 12.971 ( -1.725 0.000 2.389) 2.946 12.971 ( 1.725 0.000 2.389) 2.946 13.113 ( -2.513 0.000 1.685) 3.026 13.113 ( 2.513 0.000 1.685) 3.026 13.295 ( -7.712 0.000 0.476) 7.726 13.295 ( 7.712 0.000 0.476) 7.726 13.852 ( -2.197 0.000 -2.634) 3.430 13.852 ( 2.197 0.000 -2.634) 3.430 14.108 ( -11.899 0.000 -4.389) 12.682 14.108 ( 11.899 0.000 -4.389) 12.682 14.287 ( -10.133 0.000 6.147) 11.852 14.287 ( 10.133 0.000 6.147) 11.852 14.611 ( -21.573 0.000 -0.005) 21.573 14.611 ( 21.573 0.000 -0.005) 21.573 15.590 ( -1.133 0.000 0.028) 1.133 15.590 ( 1.133 0.000 0.028) 1.133 16.277 ( -9.354 0.000 0.534) 9.370 16.277 ( 9.354 0.000 0.534) 9.370 16.463 ( -3.266 0.000 0.003) 3.266 16.463 ( 3.266 0.000 0.003) 3.266 17.256 ( -3.538 0.000 0.282) 3.549 17.256 ( 3.538 0.000 0.282) 3.549 17.578 ( -0.020 0.000 -0.148) 0.149 17.578 ( 0.020 0.000 -0.148) 0.149 17.781 ( -1.755 0.000 -0.098) 1.758 17.781 ( 1.755 0.000 -0.098) 1.758 ======================= Grid point 54 (21/45) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 0.000 13.426 14.652) 19.873 0.787 ( 0.000 12.680 22.007) 25.399 1.069 ( 0.000 6.256 10.451) 12.181 1.130 ( 0.000 9.798 7.352) 12.249 1.174 ( 0.000 33.093 13.742) 35.832 1.397 ( 0.000 -2.948 4.851) 5.677 1.452 ( 0.000 1.385 5.109) 5.294 1.580 ( 0.000 5.838 -8.356) 10.193 1.769 ( 0.000 -6.573 -1.064) 6.658 1.817 ( 0.000 16.182 -8.885) 18.461 1.907 ( 0.000 3.982 -1.021) 4.110 1.991 ( 0.000 -2.072 -4.833) 5.258 2.103 ( 0.000 -1.698 -0.370) 1.738 2.143 ( 0.000 7.756 6.557) 10.156 2.184 ( 0.000 -5.619 5.041) 7.549 2.301 ( 0.000 0.508 0.018) 0.508 2.379 ( 0.000 6.035 -2.483) 6.526 2.490 ( 0.000 4.515 1.927) 4.909 2.593 ( 0.000 9.622 -5.151) 10.914 2.638 ( 0.000 -7.040 -2.658) 7.524 2.699 ( 0.000 -0.649 -0.859) 1.076 2.822 ( 0.000 2.780 -0.193) 2.786 2.845 ( 0.000 1.088 -8.985) 9.051 2.882 ( 0.000 -2.077 -1.285) 2.443 2.917 ( 0.000 0.900 -7.904) 7.955 2.981 ( 0.000 11.935 1.154) 11.991 3.076 ( 0.000 0.218 -4.263) 4.268 3.196 ( 0.000 2.323 -18.644) 18.788 3.216 ( 0.000 0.126 2.310) 2.313 3.293 ( 0.000 -9.416 -0.659) 9.439 3.438 ( 0.000 -1.663 -13.672) 13.773 3.484 ( 0.000 2.178 -4.267) 4.790 3.588 ( 0.000 -1.441 1.167) 1.854 3.620 ( 0.000 -3.327 -5.918) 6.789 3.809 ( 0.000 -4.516 -3.368) 5.634 3.847 ( 0.000 -3.082 8.292) 8.846 3.936 ( 0.000 6.415 -2.037) 6.730 4.170 ( 0.000 -0.954 0.585) 1.119 4.267 ( 0.000 -5.123 4.453) 6.788 4.277 ( 0.000 -5.389 4.669) 7.130 4.437 ( 0.000 -2.534 2.735) 3.729 4.470 ( 0.000 -7.172 0.533) 7.192 4.489 ( 0.000 3.631 4.177) 5.535 4.549 ( 0.000 -3.431 13.473) 13.903 4.743 ( 0.000 8.535 -0.895) 8.582 4.814 ( 0.000 -15.388 14.464) 21.119 5.266 ( 0.000 -5.302 4.468) 6.934 5.292 ( 0.000 -0.259 -2.207) 2.222 5.332 ( 0.000 0.632 0.306) 0.702 5.423 ( 0.000 1.370 -2.647) 2.980 5.453 ( 0.000 -0.250 0.211) 0.327 5.477 ( 0.000 4.233 -0.785) 4.305 5.500 ( 0.000 -1.155 0.737) 1.371 5.500 ( 0.000 8.279 -1.839) 8.481 5.660 ( 0.000 1.531 -1.410) 2.081 5.811 ( 0.000 -2.022 -9.095) 9.317 5.972 ( 0.000 -32.984 -0.144) 32.984 5.994 ( 0.000 -31.769 0.642) 31.776 6.631 ( 0.000 -10.032 19.839) 22.231 7.093 ( 0.000 9.964 15.637) 18.542 7.321 ( 0.000 11.562 -1.761) 11.695 7.465 ( 0.000 35.520 -0.171) 35.520 7.507 ( 0.000 8.343 7.099) 10.954 7.624 ( 0.000 -18.443 -3.352) 18.745 8.206 ( 0.000 5.922 2.097) 6.282 8.219 ( 0.000 6.627 1.873) 6.886 8.507 ( 0.000 4.321 -0.740) 4.384 8.669 ( 0.000 13.938 0.035) 13.939 8.889 ( 0.000 4.148 2.213) 4.702 9.157 ( 0.000 -0.198 -1.645) 1.657 9.310 ( 0.000 -6.297 -4.443) 7.706 9.357 ( 0.000 -9.419 -2.587) 9.768 9.385 ( 0.000 -11.447 -0.253) 11.449 9.395 ( 0.000 -9.739 -0.260) 9.743 9.764 ( 0.000 -22.768 14.467) 26.976 10.006 ( 0.000 -9.007 -1.293) 9.100 11.502 ( 0.000 10.835 1.494) 10.937 11.767 ( 0.000 7.069 -5.835) 9.166 12.039 ( 0.000 -3.547 -0.410) 3.571 12.107 ( 0.000 -5.001 -2.170) 5.452 12.271 ( 0.000 -2.531 1.642) 3.017 12.312 ( 0.000 1.586 -0.876) 1.812 12.660 ( 0.000 9.602 -0.421) 9.611 12.764 ( 0.000 5.906 1.062) 6.000 12.875 ( 0.000 1.043 -7.541) 7.613 13.039 ( 0.000 8.567 -7.310) 11.262 13.473 ( 0.000 -0.367 1.226) 1.280 13.473 ( 0.000 0.119 -0.118) 0.168 13.532 ( 0.000 3.281 -1.818) 3.751 13.793 ( 0.000 -2.727 -6.779) 7.307 14.236 ( 0.000 18.466 -5.899) 19.385 14.357 ( 0.000 0.915 7.025) 7.084 14.784 ( 0.000 7.227 -4.940) 8.754 15.061 ( 0.000 1.858 -8.031) 8.243 15.349 ( 0.000 -2.135 2.645) 3.399 15.414 ( 0.000 -13.525 9.364) 16.450 15.612 ( 0.000 0.662 2.997) 3.069 15.884 ( 0.000 -3.365 7.908) 8.595 15.984 ( 0.000 -2.157 -1.630) 2.703 16.154 ( 0.000 -14.794 -2.112) 14.944 16.490 ( 0.000 2.326 1.336) 2.683 16.570 ( 0.000 0.458 -0.247) 0.520 17.023 ( 0.000 13.030 -3.999) 13.630 17.220 ( 0.000 26.863 -26.027) 37.404 17.574 ( 0.000 -0.211 0.589) 0.626 17.630 ( 0.000 -1.644 -0.426) 1.698 17.726 ( 0.000 -1.464 0.198) 1.477 17.849 ( 0.000 -1.338 -2.641) 2.961 ======================= Grid point 55 (22/45) ======================= q-point: ( 0.12 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 11.721 9.718 11.868) 19.304 0.904 ( 7.343 19.102 9.057) 22.379 1.137 ( 2.121 10.529 5.742) 12.179 1.178 ( 7.557 4.853 5.753) 10.666 1.374 ( 8.427 4.688 4.496) 10.640 1.476 ( 6.562 -2.235 10.206) 12.337 1.485 ( 13.351 13.113 10.319) 21.370 1.587 ( 2.007 4.443 -1.920) 5.240 1.735 ( -2.478 0.539 1.541) 2.967 1.809 ( 0.313 4.222 -7.187) 8.342 1.936 ( 1.664 7.258 -3.395) 8.184 1.994 ( -0.193 0.508 -4.423) 4.456 2.108 ( 1.123 -0.377 0.396) 1.249 2.146 ( -0.337 7.500 3.921) 8.470 2.162 ( -1.242 -6.811 4.439) 8.224 2.332 ( 2.993 -0.719 0.227) 3.087 2.398 ( 0.091 2.278 -3.506) 4.182 2.476 ( 0.921 3.993 1.604) 4.401 2.571 ( -1.626 7.720 -2.191) 8.188 2.679 ( -0.246 0.997 -3.125) 3.289 2.709 ( 0.896 -5.914 -4.977) 7.781 2.741 ( -5.637 1.126 -0.708) 5.792 2.838 ( -0.478 0.445 -2.217) 2.311 2.862 ( -2.142 0.817 1.152) 2.566 2.896 ( -1.179 5.392 -4.855) 7.351 3.014 ( 2.459 8.369 -0.341) 8.729 3.092 ( 1.035 -3.305 -3.893) 5.211 3.211 ( 2.044 -1.002 -9.519) 9.787 3.235 ( 0.547 4.526 -4.655) 6.515 3.276 ( -1.605 -5.192 -1.367) 5.604 3.408 ( -4.166 -3.365 -3.926) 6.640 3.445 ( -3.211 1.783 -7.747) 8.573 3.531 ( 2.854 -3.872 -12.840) 13.711 3.648 ( -3.063 -0.137 -2.308) 3.838 3.736 ( -2.586 0.510 -0.613) 2.706 3.841 ( -4.485 2.834 3.381) 6.291 3.936 ( 0.977 0.977 1.006) 1.709 4.103 ( -7.134 -0.887 0.035) 7.189 4.184 ( -1.837 -3.249 3.148) 4.882 4.358 ( -2.918 -1.033 0.222) 3.103 4.378 ( -0.210 -5.776 3.033) 6.528 4.442 ( 1.717 -3.352 2.486) 4.513 4.497 ( 0.291 3.143 3.152) 4.461 4.618 ( 1.896 -5.008 11.557) 12.737 4.726 ( -1.416 6.782 -0.934) 6.991 4.828 ( -0.228 -13.540 11.544) 17.794 5.234 ( -1.942 -1.429 2.923) 3.789 5.285 ( -0.585 -0.557 -1.346) 1.570 5.325 ( -0.739 -0.186 1.221) 1.439 5.401 ( -0.167 -2.117 -1.485) 2.591 5.479 ( 0.038 2.877 -0.762) 2.977 5.494 ( 3.261 5.793 -2.509) 7.106 5.545 ( 3.020 3.982 -0.638) 5.038 5.556 ( 3.358 -5.143 0.439) 6.157 5.663 ( 0.259 0.930 -1.001) 1.391 5.796 ( -1.429 -0.448 -8.007) 8.146 5.989 ( 1.014 -32.046 -0.251) 32.063 6.044 ( 3.274 -29.048 -0.982) 29.248 6.612 ( -1.690 -11.227 17.070) 20.501 7.092 ( -0.171 9.684 11.978) 15.404 7.326 ( -0.034 5.025 -1.186) 5.164 7.465 ( -0.148 33.648 0.257) 33.650 7.506 ( -0.091 14.226 4.580) 14.946 7.542 ( -6.482 -13.945 -0.659) 15.392 8.140 ( -7.225 6.851 1.046) 10.011 8.242 ( 2.521 7.053 2.145) 7.791 8.464 ( -5.525 6.804 2.089) 9.010 8.642 ( -0.707 7.994 -1.774) 8.219 8.885 ( -0.219 4.320 2.045) 4.785 9.105 ( -4.594 1.547 -1.970) 5.232 9.330 ( 1.650 -6.758 -3.897) 7.974 9.363 ( 0.739 -9.356 -4.989) 10.629 9.374 ( -0.685 -10.634 -1.408) 10.749 9.394 ( -0.031 -9.158 -0.447) 9.169 9.783 ( 1.182 -20.551 11.156) 23.414 9.938 ( -5.549 -9.171 -0.317) 10.724 11.616 ( 9.903 10.358 0.481) 14.338 11.759 ( 1.066 10.451 -3.484) 11.068 12.111 ( 4.097 -4.613 -1.508) 6.351 12.134 ( 0.707 -1.956 -1.110) 2.357 12.287 ( -1.074 1.607 0.503) 1.997 12.336 ( 6.405 -3.222 -0.561) 7.191 12.640 ( -1.790 5.124 -2.832) 6.122 12.737 ( -1.351 2.870 0.009) 3.172 12.844 ( -4.019 2.646 -3.621) 6.022 13.014 ( -0.284 7.314 -5.274) 9.022 13.450 ( -0.252 2.061 0.611) 2.164 13.544 ( 1.148 1.678 -1.132) 2.327 13.589 ( -8.639 4.684 5.751) 11.386 13.636 ( 10.063 -0.621 -0.761) 10.111 14.164 ( -4.249 7.196 -2.988) 8.875 14.456 ( -0.904 -0.343 4.338) 4.444 14.618 ( -14.603 8.884 -3.732) 17.495 15.052 ( -2.530 0.601 -6.054) 6.589 15.310 ( -3.494 -4.813 -0.658) 5.984 15.411 ( -0.066 -9.169 2.550) 9.517 15.567 ( -2.906 -0.305 3.782) 4.779 15.732 ( -10.702 0.681 3.939) 11.424 15.888 ( -18.163 0.868 -1.370) 18.236 16.119 ( 6.877 -8.085 -7.272) 12.866 16.496 ( -0.376 2.020 1.155) 2.358 16.674 ( 9.219 -5.055 0.785) 10.544 16.879 ( -7.326 11.673 -3.363) 14.186 17.322 ( 3.523 13.754 -7.343) 15.984 17.598 ( 2.000 -0.446 1.169) 2.360 17.640 ( 0.950 -0.612 0.250) 1.158 17.705 ( -1.372 -0.174 -0.477) 1.462 17.868 ( 1.264 -0.117 -2.113) 2.465 ======================= Grid point 56 (23/45) ======================= q-point: ( 0.25 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 17.103 6.733 5.636) 19.226 1.049 ( 7.015 16.458 4.676) 18.492 1.197 ( 3.465 7.821 5.670) 10.262 1.315 ( 6.427 2.587 -1.031) 7.004 1.429 ( 1.695 3.203 -1.302) 3.851 1.593 ( 2.056 0.220 -2.613) 3.333 1.628 ( 6.764 -2.344 8.169) 10.862 1.718 ( 2.095 2.844 4.795) 5.956 1.820 ( 0.238 6.084 -4.800) 7.753 1.953 ( 0.502 -4.877 -1.684) 5.184 1.957 ( 12.871 1.287 7.637) 15.022 2.033 ( 7.285 4.561 0.096) 8.595 2.122 ( -0.678 2.000 2.705) 3.432 2.154 ( 2.354 1.930 1.078) 3.229 2.200 ( 8.908 6.751 2.013) 11.357 2.364 ( -1.099 -4.855 -3.317) 5.982 2.424 ( 5.484 -0.429 -1.729) 5.767 2.512 ( -1.959 -2.328 1.918) 3.597 2.537 ( 1.221 8.554 -0.971) 8.695 2.572 ( -7.325 0.245 -1.389) 7.460 2.645 ( -4.756 -3.872 1.088) 6.229 2.691 ( -1.946 3.604 -4.081) 5.782 2.806 ( -3.083 2.177 -0.710) 3.840 2.866 ( 2.827 0.589 1.784) 3.395 2.906 ( 1.564 4.755 -3.689) 6.218 3.044 ( 0.075 4.987 -0.133) 4.989 3.109 ( -0.220 -3.326 -2.806) 4.357 3.182 ( -2.446 1.316 -4.800) 5.545 3.251 ( -2.278 -0.221 -4.802) 5.320 3.262 ( 1.302 1.921 -2.945) 3.749 3.370 ( -3.496 0.668 -7.617) 8.407 3.383 ( 1.329 1.722 -3.734) 4.322 3.492 ( -8.808 0.598 -5.083) 10.187 3.652 ( 4.831 -1.244 -10.906) 11.993 3.689 ( -3.284 3.131 1.795) 4.880 3.777 ( 2.597 2.322 -4.126) 5.400 3.900 ( -11.389 0.378 0.740) 11.419 3.971 ( 1.074 0.001 -0.139) 1.083 4.155 ( -1.214 -3.130 2.282) 4.059 4.283 ( -3.724 -0.919 1.601) 4.157 4.386 ( -0.029 -1.189 0.383) 1.249 4.471 ( -1.071 -1.417 3.731) 4.132 4.489 ( -1.085 5.656 1.446) 5.938 4.590 ( -2.815 -2.314 4.913) 6.117 4.699 ( -1.610 0.550 4.464) 4.777 4.782 ( -4.095 -10.856 10.084) 15.372 5.208 ( -0.666 0.439 0.867) 1.178 5.263 ( -1.548 0.202 0.038) 1.562 5.325 ( 0.769 -1.104 -0.742) 1.536 5.400 ( -0.152 -4.811 -0.412) 4.831 5.474 ( -0.322 0.806 0.642) 1.080 5.565 ( 2.003 7.393 -3.270) 8.328 5.581 ( 0.655 -3.274 -0.657) 3.403 5.614 ( 2.252 0.007 -0.329) 2.276 5.689 ( 2.663 4.006 0.920) 4.897 5.767 ( -0.710 2.727 -3.405) 4.420 6.010 ( 0.975 -31.603 -0.289) 31.619 6.076 ( 0.263 -26.458 -0.859) 26.473 6.577 ( -1.438 -13.830 9.792) 17.006 7.074 ( -2.768 3.261 2.212) 4.815 7.261 ( -5.806 -13.269 3.647) 14.936 7.450 ( -0.697 31.085 -0.194) 31.093 7.459 ( 0.099 23.870 0.914) 23.887 7.535 ( 2.287 6.841 3.463) 8.001 7.933 ( -12.277 8.835 2.520) 15.335 8.227 ( -8.820 8.175 0.900) 12.060 8.371 ( 1.884 3.860 3.526) 5.557 8.643 ( -0.061 3.872 -1.998) 4.357 8.883 ( 0.122 4.099 2.123) 4.618 9.006 ( -4.438 3.784 -0.987) 5.915 9.354 ( -0.686 -10.669 -0.719) 10.715 9.362 ( 1.054 -8.030 -2.883) 8.597 9.398 ( 0.847 -7.684 -1.909) 7.962 9.409 ( 3.006 -8.781 -8.840) 12.817 9.787 ( -1.532 -15.282 5.300) 16.247 9.837 ( -3.205 -10.629 2.610) 11.404 11.800 ( 5.870 8.555 -2.096) 10.585 11.847 ( 7.558 11.464 -0.814) 13.755 12.087 ( -3.837 -1.588 -2.834) 5.027 12.154 ( 0.256 1.775 -0.980) 2.043 12.272 ( -0.966 3.610 1.208) 3.928 12.480 ( 0.135 5.016 -6.774) 8.430 12.609 ( 5.081 -5.959 -1.140) 7.914 12.756 ( 3.043 -4.636 0.088) 5.546 12.810 ( 3.060 2.152 1.820) 4.160 13.027 ( 0.954 0.975 -2.064) 2.474 13.326 ( -7.677 0.100 7.396) 10.660 13.549 ( -1.411 -4.304 -0.354) 4.543 13.658 ( 8.730 2.380 -3.877) 9.844 13.817 ( 6.214 -0.746 -4.402) 7.652 14.082 ( -2.821 7.300 -0.912) 7.879 14.286 ( -13.575 13.305 0.683) 19.020 14.326 ( -9.945 0.195 6.640) 11.960 14.905 ( -12.419 -1.477 1.435) 12.589 15.085 ( -20.253 -3.391 -6.730) 21.610 15.376 ( -4.903 -2.286 -1.451) 5.601 15.469 ( -7.032 1.565 2.382) 7.588 15.613 ( 3.619 0.448 -0.107) 3.648 15.711 ( 2.220 2.418 4.326) 5.430 16.271 ( 6.928 -11.322 -9.770) 16.481 16.487 ( -0.574 3.316 0.335) 3.382 16.682 ( -6.658 6.779 -2.265) 9.768 16.906 ( 7.215 -7.931 3.930) 11.419 17.319 ( -3.439 0.002 0.926) 3.561 17.631 ( 0.935 0.513 0.426) 1.149 17.675 ( 2.452 1.117 1.267) 2.977 17.691 ( 0.099 4.283 -0.491) 4.312 17.880 ( -0.390 1.192 -1.407) 1.885 ======================= Grid point 57 (24/45) ======================= q-point: ( 0.38 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 4.642 12.545 3.965) 13.951 1.224 ( 2.467 8.269 5.144) 10.046 1.340 ( 10.303 1.749 -0.961) 10.495 1.467 ( 4.356 1.330 -0.104) 4.556 1.489 ( 9.152 3.547 -0.928) 9.859 1.600 ( 0.587 -0.193 2.292) 2.373 1.750 ( 3.340 -1.684 2.338) 4.411 1.777 ( 2.410 4.985 4.445) 7.100 1.819 ( 0.318 4.521 2.129) 5.008 1.921 ( -2.439 -1.390 -1.431) 3.151 2.057 ( -2.989 7.044 0.921) 7.707 2.081 ( 3.533 -7.231 -0.788) 8.087 2.179 ( 4.798 5.313 -1.132) 7.248 2.250 ( 4.337 4.094 -0.559) 5.990 2.288 ( -0.785 -5.541 -3.004) 6.351 2.372 ( -2.422 -0.900 -4.441) 5.138 2.410 ( -3.520 -5.049 -0.960) 6.229 2.438 ( -3.527 -0.316 -0.806) 3.632 2.549 ( -4.499 -1.983 3.316) 5.931 2.618 ( 7.524 4.444 -1.326) 8.838 2.642 ( 3.747 1.633 -4.408) 6.011 2.671 ( -0.667 -0.028 -0.856) 1.085 2.826 ( 7.910 1.573 1.938) 8.294 2.920 ( -0.078 4.693 -3.261) 5.715 2.934 ( 2.602 -0.456 0.197) 2.649 3.008 ( -3.359 1.605 -1.454) 3.996 3.079 ( 0.465 -1.760 -1.486) 2.349 3.156 ( -0.807 2.083 -2.061) 3.040 3.175 ( -5.941 1.433 0.285) 6.118 3.233 ( -1.347 4.035 -2.677) 5.026 3.319 ( -2.063 3.929 -5.425) 7.009 3.402 ( 3.331 5.291 -2.085) 6.591 3.435 ( 1.194 2.001 -5.243) 5.737 3.630 ( -2.446 -0.686 -2.898) 3.854 3.671 ( -7.988 2.549 2.338) 8.705 3.744 ( 5.585 5.506 0.544) 7.861 3.902 ( 2.064 0.812 -6.089) 6.481 3.968 ( -0.011 -0.875 -2.807) 2.940 4.135 ( -1.357 -4.411 2.135) 5.085 4.191 ( -4.867 0.511 4.121) 6.398 4.333 ( -4.955 1.390 0.145) 5.148 4.413 ( -1.178 2.731 1.984) 3.575 4.460 ( -1.696 6.155 2.809) 6.975 4.556 ( -3.074 -9.522 3.486) 10.595 4.646 ( -2.547 0.203 4.000) 4.746 4.698 ( -3.057 -3.953 5.686) 7.570 5.201 ( -0.143 1.284 -0.501) 1.386 5.234 ( -1.074 0.988 0.117) 1.464 5.334 ( -0.126 -1.961 -2.465) 3.152 5.408 ( 1.169 -3.206 -0.588) 3.462 5.469 ( -0.209 -0.061 0.840) 0.868 5.542 ( -2.312 3.268 -2.537) 4.739 5.607 ( 1.034 3.523 -0.419) 3.695 5.644 ( 0.506 -1.452 -1.366) 2.057 5.723 ( 0.714 -0.289 1.638) 1.810 5.804 ( 3.441 9.279 4.837) 11.015 6.030 ( 1.042 -29.505 -1.319) 29.553 6.076 ( -0.046 -29.380 -0.255) 29.381 6.564 ( 0.227 -16.628 -0.084) 16.629 6.939 ( -8.459 -14.753 -1.009) 17.036 7.231 ( 2.565 6.999 4.833) 8.884 7.426 ( -2.230 28.006 -1.574) 28.139 7.485 ( 1.589 28.073 2.692) 28.247 7.600 ( 2.684 10.754 0.771) 11.110 7.707 ( -7.076 4.916 7.502) 11.425 7.997 ( -11.720 4.443 2.013) 12.694 8.456 ( 4.699 3.912 0.727) 6.157 8.624 ( -1.838 4.142 -1.225) 4.694 8.890 ( 0.521 3.814 2.311) 4.489 8.938 ( -2.331 3.951 0.917) 4.678 9.346 ( -0.112 -9.233 -0.059) 9.234 9.363 ( -0.483 -7.912 -0.179) 7.929 9.433 ( 2.129 -8.771 -6.023) 10.851 9.467 ( 2.213 -7.982 -9.472) 12.583 9.730 ( -2.790 -13.287 1.872) 13.706 9.811 ( -0.555 -10.714 4.161) 11.507 11.887 ( 2.904 6.342 -3.931) 8.007 11.962 ( 3.153 11.136 -0.032) 11.574 12.032 ( -0.279 -0.281 -4.387) 4.405 12.161 ( 0.168 4.774 -2.030) 5.191 12.226 ( -2.796 5.477 -1.640) 6.364 12.357 ( -7.298 5.499 -5.763) 10.804 12.785 ( 6.727 -5.494 2.241) 8.970 12.864 ( 6.096 -8.813 -0.465) 10.726 12.941 ( 8.251 -2.088 4.257) 9.517 13.056 ( 2.901 -2.458 -1.188) 3.984 13.190 ( -5.682 -5.827 4.437) 9.269 13.434 ( -9.447 -7.947 -0.147) 12.346 13.787 ( 3.064 3.182 -5.016) 6.684 13.893 ( 3.253 -0.614 -3.671) 4.943 14.037 ( -3.055 6.503 -3.640) 8.054 14.166 ( -3.416 -0.018 1.169) 3.610 14.259 ( 11.344 12.792 2.964) 17.353 14.598 ( -15.261 -1.572 9.231) 17.905 14.671 ( -18.403 6.994 -3.697) 20.032 15.082 ( -19.731 0.602 -2.158) 19.858 15.514 ( 5.729 2.075 0.837) 6.150 15.649 ( 1.856 6.792 -0.775) 7.084 15.928 ( 13.858 -7.972 3.753) 16.422 16.339 ( -1.520 -11.501 -4.885) 12.587 16.478 ( 0.016 4.420 0.254) 4.427 16.561 ( -4.434 6.606 -0.989) 8.018 17.026 ( 4.598 -10.874 1.869) 11.953 17.216 ( -5.723 -8.810 0.951) 10.548 17.644 ( 0.559 3.531 0.001) 3.575 17.691 ( -0.125 7.487 -0.164) 7.490 17.732 ( 2.712 0.361 0.566) 2.794 17.852 ( -2.125 1.702 -0.619) 2.792 ======================= Grid point 58 (25/45) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 0.000 8.523 3.885) 9.366 1.238 ( 0.000 9.139 3.590) 9.819 1.461 ( 0.000 2.656 -3.107) 4.088 1.468 ( -0.000 2.675 -2.613) 3.740 1.626 ( 0.000 -1.831 3.625) 4.061 1.689 ( -0.000 -0.233 7.503) 7.507 1.756 ( -0.000 5.604 -1.082) 5.707 1.763 ( 0.000 0.673 2.799) 2.879 1.853 ( 0.000 2.125 4.216) 4.721 1.885 ( 0.000 2.191 2.298) 3.175 1.993 ( 0.000 4.476 -2.782) 5.270 2.149 ( 0.000 -7.282 -2.451) 7.684 2.215 ( 0.000 -4.836 -2.783) 5.580 2.249 ( 0.000 13.049 2.441) 13.275 2.286 ( 0.000 -4.412 -4.265) 6.136 2.315 ( 0.000 3.476 -1.939) 3.980 2.411 ( 0.000 -3.641 -1.486) 3.933 2.413 ( 0.000 0.357 -2.827) 2.849 2.511 ( -0.000 -0.091 -4.261) 4.262 2.638 ( 0.000 -3.709 -0.612) 3.759 2.688 ( 0.000 3.333 -4.700) 5.762 2.764 ( -0.000 4.823 -4.074) 6.313 2.802 ( 0.000 -3.166 -4.723) 5.686 2.893 ( -0.000 -3.249 1.871) 3.749 2.965 ( 0.000 -2.159 1.397) 2.572 2.966 ( -0.000 1.965 -3.285) 3.828 3.071 ( 0.000 -0.312 -1.095) 1.139 3.176 ( -0.000 5.664 0.009) 5.664 3.186 ( 0.000 1.856 0.520) 1.927 3.232 ( 0.000 4.799 -0.068) 4.800 3.273 ( 0.000 0.613 -4.965) 5.002 3.452 ( 0.000 13.619 1.655) 13.719 3.495 ( 0.000 -1.736 -2.784) 3.281 3.546 ( 0.000 -1.676 0.672) 1.806 3.675 ( 0.000 2.676 -3.881) 4.714 3.773 ( 0.000 5.151 2.858) 5.891 3.901 ( 0.000 5.621 -1.096) 5.726 3.925 ( -0.000 4.308 -0.266) 4.316 4.118 ( -0.000 -2.798 4.273) 5.107 4.142 ( 0.000 -1.150 4.372) 4.521 4.300 ( 0.000 -7.902 -4.808) 9.249 4.422 ( 0.000 3.170 -4.180) 5.246 4.439 ( 0.000 0.854 6.383) 6.440 4.465 ( -0.000 -0.763 6.139) 6.186 4.635 ( -0.000 -1.988 4.174) 4.623 4.666 ( 0.000 0.233 0.531) 0.580 5.199 ( 0.000 1.249 -1.118) 1.677 5.224 ( 0.000 1.853 0.315) 1.880 5.330 ( 0.000 -2.203 -2.753) 3.526 5.430 ( 0.000 -2.966 -0.837) 3.082 5.463 ( 0.000 0.739 -1.980) 2.114 5.511 ( 0.000 3.998 -0.741) 4.066 5.621 ( 0.000 4.757 1.722) 5.059 5.642 ( 0.000 -4.078 -1.287) 4.277 5.732 ( 0.000 -0.149 2.046) 2.051 5.846 ( 0.000 10.349 7.423) 12.736 6.043 ( 0.000 -27.922 -1.676) 27.972 6.075 ( 0.000 -31.833 -0.338) 31.835 6.573 ( 0.000 -18.501 -7.720) 20.047 6.836 ( 0.000 -15.870 4.110) 16.394 7.296 ( 0.000 9.362 -2.632) 9.725 7.369 ( -0.000 26.854 0.585) 26.861 7.508 ( 0.000 30.341 3.578) 30.552 7.561 ( 0.000 12.963 8.209) 15.344 7.768 ( 0.000 0.636 2.279) 2.366 7.800 ( -0.000 4.690 3.014) 5.575 8.522 ( 0.000 2.076 -1.646) 2.649 8.588 ( -0.000 5.981 0.423) 5.996 8.902 ( -0.000 5.177 1.432) 5.371 8.909 ( 0.000 2.198 2.704) 3.485 9.347 ( 0.000 -7.695 0.125) 7.696 9.355 ( 0.000 -8.587 0.608) 8.608 9.460 ( 0.000 -9.302 -8.178) 12.386 9.489 ( 0.000 -7.225 -8.774) 11.366 9.699 ( 0.000 -14.322 2.061) 14.470 9.805 ( 0.000 -9.579 3.575) 10.225 11.916 ( 0.000 5.158 -5.134) 7.278 11.988 ( 0.000 10.483 -0.538) 10.496 12.059 ( 0.000 -0.301 -6.739) 6.745 12.132 ( 0.000 4.545 -1.805) 4.891 12.227 ( 0.000 4.645 -4.534) 6.491 12.252 ( -0.000 9.319 -1.664) 9.467 12.855 ( 0.000 -7.361 0.918) 7.418 12.950 ( 0.000 -6.097 4.966) 7.864 13.008 ( 0.000 -5.773 1.621) 5.996 13.086 ( 0.000 -4.554 2.444) 5.168 13.200 ( 0.000 -7.476 -0.135) 7.478 13.263 ( 0.000 -5.915 2.490) 6.418 13.813 ( 0.000 2.378 -4.195) 4.822 13.941 ( 0.000 3.282 -2.437) 4.088 14.036 ( 0.000 -2.477 -7.060) 7.482 14.137 ( 0.000 -3.117 -5.185) 6.050 14.380 ( 0.000 13.038 7.979) 15.285 14.419 ( 0.000 8.535 4.884) 9.834 14.648 ( 0.000 2.776 -0.272) 2.790 14.673 ( 0.000 5.489 0.934) 5.568 15.590 ( 0.000 1.917 -1.547) 2.464 15.672 ( 0.000 6.725 1.851) 6.975 16.136 ( 0.000 -12.097 -2.089) 12.276 16.257 ( -0.000 -5.249 2.841) 5.969 16.498 ( -1.765 3.919 0.193) 4.302 16.498 ( 1.765 5.004 0.085) 5.307 17.092 ( -0.000 -12.634 -0.704) 12.653 17.132 ( 0.000 -11.344 0.878) 11.378 17.652 ( 0.000 5.624 -0.858) 5.689 17.686 ( 0.000 7.389 0.598) 7.414 17.772 ( 0.000 0.202 -1.087) 1.106 17.816 ( 0.000 1.947 0.787) 2.100 ======================= Grid point 63 (26/45) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 0.000 12.725 7.903) 14.980 0.963 ( 0.000 5.988 14.052) 15.275 1.077 ( 0.000 -1.021 13.214) 13.253 1.199 ( 0.000 -7.319 14.487) 16.230 1.384 ( 0.000 8.233 5.846) 10.098 1.546 ( 0.000 6.663 -0.260) 6.668 1.581 ( 0.000 -10.809 2.718) 11.146 1.634 ( 0.000 1.145 -5.648) 5.763 1.822 ( 0.000 13.082 -2.176) 13.262 1.929 ( 0.000 -3.658 -4.943) 6.150 2.012 ( 0.000 4.501 -3.544) 5.729 2.015 ( 0.000 15.286 2.739) 15.529 2.082 ( 0.000 1.882 1.670) 2.517 2.150 ( 0.000 4.026 3.044) 5.047 2.248 ( 0.000 -5.885 -0.160) 5.887 2.398 ( 0.000 11.777 -1.049) 11.823 2.458 ( 0.000 -12.459 2.698) 12.747 2.492 ( 0.000 4.323 -4.165) 6.003 2.587 ( 0.000 6.976 2.966) 7.581 2.661 ( 0.000 -0.935 0.008) 0.935 2.693 ( 0.000 -2.258 -1.568) 2.749 2.750 ( 0.000 -9.545 -3.189) 10.063 2.831 ( 0.000 -1.906 0.726) 2.040 2.846 ( 0.000 -2.095 -6.851) 7.164 2.934 ( 0.000 2.518 -3.811) 4.568 2.998 ( 0.000 -5.386 0.499) 5.409 3.210 ( 0.000 5.689 -10.351) 11.811 3.222 ( 0.000 0.586 -3.799) 3.844 3.225 ( 0.000 1.153 -5.153) 5.281 3.236 ( 0.000 0.534 -18.980) 18.987 3.439 ( 0.000 1.476 -3.556) 3.850 3.480 ( 0.000 -2.772 0.065) 2.773 3.666 ( 0.000 7.564 -6.382) 9.897 3.683 ( 0.000 5.818 -7.980) 9.875 3.831 ( 0.000 13.334 0.632) 13.349 3.841 ( 0.000 6.414 3.909) 7.511 4.030 ( 0.000 1.977 -1.508) 2.487 4.139 ( 0.000 -4.683 -0.737) 4.741 4.158 ( 0.000 -6.383 5.245) 8.262 4.171 ( 0.000 -11.508 2.732) 11.828 4.247 ( 0.000 -5.374 5.752) 7.872 4.345 ( 0.000 -8.294 3.899) 9.165 4.489 ( 0.000 -1.666 11.247) 11.370 4.500 ( 0.000 -2.322 10.980) 11.223 4.745 ( 0.000 7.839 6.282) 10.045 4.920 ( 0.000 8.645 -2.391) 8.969 5.085 ( 0.000 -21.997 1.462) 22.045 5.171 ( 0.000 -10.185 0.695) 10.209 5.316 ( 0.000 -0.188 1.002) 1.020 5.356 ( 0.000 -7.433 0.526) 7.452 5.405 ( 0.000 0.948 -0.215) 0.972 5.427 ( 0.000 -0.787 -0.985) 1.261 5.605 ( 0.000 4.830 -1.850) 5.172 5.619 ( 0.000 1.719 -1.440) 2.242 5.659 ( 0.000 0.293 0.980) 1.023 5.671 ( 0.000 -2.011 0.805) 2.167 5.707 ( 0.000 3.765 -5.252) 6.462 5.808 ( 0.000 -3.176 -12.449) 12.848 6.587 ( 0.000 9.043 17.448) 19.652 6.969 ( 0.000 -27.325 4.562) 27.703 7.255 ( 0.000 7.166 11.436) 13.495 7.372 ( 0.000 -5.369 8.250) 9.843 8.048 ( 0.000 24.685 -0.087) 24.685 8.058 ( 0.000 24.095 -0.971) 24.115 8.318 ( 0.000 1.713 0.665) 1.838 8.339 ( 0.000 1.575 1.233) 2.000 8.578 ( 0.000 3.339 3.291) 4.688 8.707 ( 0.000 -6.960 4.674) 8.384 9.003 ( 0.000 6.936 1.157) 7.032 9.139 ( 0.000 -8.276 -1.480) 8.407 9.141 ( 0.000 -10.334 -1.672) 10.469 9.171 ( 0.000 -6.980 -1.460) 7.131 9.208 ( 0.000 -0.668 -2.021) 2.129 9.217 ( 0.000 -6.191 -0.501) 6.212 9.583 ( 0.000 3.793 -0.050) 3.793 9.787 ( 0.000 -13.127 -4.786) 13.972 11.739 ( 0.000 12.725 0.760) 12.748 11.862 ( 0.000 4.256 -2.305) 4.840 11.956 ( 0.000 -4.708 -0.937) 4.800 11.963 ( 0.000 -9.576 -0.776) 9.607 12.261 ( 0.000 1.212 3.183) 3.406 12.298 ( 0.000 -2.014 2.437) 3.161 12.799 ( 0.000 5.212 -3.678) 6.379 12.868 ( 0.000 -1.963 -5.725) 6.052 12.930 ( 0.000 9.572 2.522) 9.899 13.066 ( 0.000 -3.829 0.197) 3.834 13.470 ( 0.000 0.048 0.548) 0.550 13.473 ( 0.000 -0.163 -0.005) 0.164 13.615 ( 0.000 5.230 -2.970) 6.014 13.717 ( 0.000 -5.038 -4.738) 6.916 14.397 ( 0.000 2.802 3.398) 4.404 14.421 ( 0.000 2.136 -1.708) 2.734 14.947 ( 0.000 9.178 -0.180) 9.180 15.090 ( 0.000 -2.679 3.857) 4.696 15.235 ( 0.000 -2.071 -4.125) 4.615 15.290 ( 0.000 -3.949 -0.383) 3.968 15.661 ( 0.000 5.489 1.483) 5.685 15.840 ( 0.000 -12.446 -2.437) 12.683 15.902 ( 0.000 2.942 2.760) 4.034 15.966 ( 0.000 -3.853 0.798) 3.935 16.539 ( 0.000 2.446 0.770) 2.564 16.571 ( 0.000 -0.702 0.173) 0.723 17.264 ( 0.000 11.255 -4.300) 12.048 17.415 ( 0.000 -2.649 -10.535) 10.863 17.572 ( 0.000 0.418 0.553) 0.693 17.595 ( 0.000 -1.770 -0.010) 1.770 17.745 ( 0.000 3.536 -5.615) 6.636 17.810 ( 0.000 -2.772 -4.677) 5.437 ======================= Grid point 64 (27/45) ======================= q-point: ( 0.12 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 7.276 11.754 7.213) 15.592 1.064 ( 6.737 -2.255 2.474) 7.523 1.233 ( 13.007 4.054 13.626) 19.268 1.314 ( 8.893 -0.414 8.724) 12.464 1.396 ( 1.573 6.486 5.968) 8.953 1.509 ( -0.622 5.206 2.204) 5.687 1.588 ( -0.868 -5.183 1.312) 5.417 1.631 ( 2.017 -5.305 0.434) 5.692 1.849 ( 1.263 6.267 -1.462) 6.558 1.928 ( -3.961 11.915 1.940) 12.705 1.953 ( 1.099 -4.419 -4.068) 6.107 2.028 ( -3.568 -3.010 2.075) 5.108 2.059 ( -2.306 5.872 -1.671) 6.526 2.127 ( 4.200 -0.020 -0.705) 4.259 2.328 ( 5.417 3.915 2.359) 7.087 2.396 ( -0.918 11.833 -0.310) 11.873 2.478 ( -1.954 2.642 -4.747) 5.773 2.517 ( -3.524 3.979 4.418) 6.911 2.542 ( 3.183 -8.756 -0.745) 9.346 2.660 ( -0.148 1.057 1.877) 2.159 2.669 ( -1.539 -3.463 -1.645) 4.132 2.747 ( -1.146 -2.814 -1.936) 3.603 2.786 ( -1.066 -4.976 -3.844) 6.378 2.862 ( 0.886 -4.919 -6.699) 8.358 2.952 ( 1.548 4.235 -1.349) 4.707 3.018 ( 1.817 -3.851 0.132) 4.260 3.180 ( -2.080 4.768 -5.045) 7.246 3.227 ( 0.234 1.394 -7.278) 7.414 3.268 ( 4.168 4.528 -8.513) 10.504 3.316 ( 4.025 1.195 -10.315) 11.137 3.371 ( -4.437 1.665 -1.503) 4.972 3.460 ( -0.761 -4.639 -7.988) 9.269 3.624 ( -2.052 13.027 -5.702) 14.367 3.690 ( -2.018 6.846 -5.077) 8.758 3.825 ( -0.057 3.924 1.400) 4.166 3.853 ( -1.318 9.484 1.834) 9.749 3.996 ( -2.621 4.299 -0.652) 5.077 4.062 ( -7.240 -3.695 0.241) 8.132 4.095 ( -2.616 -11.310 0.495) 11.619 4.197 ( 0.825 -15.153 0.677) 15.191 4.271 ( 1.885 0.171 7.102) 7.350 4.368 ( 2.035 -5.359 5.117) 7.685 4.504 ( 1.303 -1.439 10.733) 10.907 4.532 ( 2.388 -5.133 9.904) 11.408 4.733 ( -1.278 8.825 5.586) 10.522 4.910 ( -1.164 10.121 -2.348) 10.455 5.072 ( -1.057 -21.592 1.173) 21.649 5.167 ( -0.220 -9.905 0.008) 9.907 5.309 ( -0.366 -0.184 1.012) 1.092 5.355 ( -0.155 -8.069 0.224) 8.073 5.392 ( -0.758 1.097 0.205) 1.349 5.427 ( 0.415 -2.729 -0.492) 2.804 5.620 ( 1.485 4.999 -1.787) 5.512 5.654 ( 1.920 3.352 -0.562) 3.904 5.671 ( -0.128 -1.917 0.883) 2.114 5.699 ( 2.662 -1.070 -1.351) 3.171 5.741 ( 3.124 1.479 -4.005) 5.290 5.830 ( 2.406 -2.123 -11.982) 12.404 6.541 ( -4.286 7.828 16.310) 18.592 6.902 ( -6.243 -25.978 4.020) 27.018 7.267 ( 1.180 6.803 10.446) 12.522 7.381 ( 1.087 -5.184 7.332) 9.046 8.036 ( -1.334 24.366 0.527) 24.408 8.070 ( 1.031 24.874 -0.961) 24.913 8.278 ( -5.853 3.964 1.649) 7.259 8.347 ( 2.294 -0.081 0.037) 2.296 8.528 ( -5.798 1.899 3.372) 6.971 8.657 ( -3.358 -7.098 2.499) 8.240 8.994 ( -0.881 6.349 0.807) 6.461 9.143 ( 0.432 -8.244 -1.900) 8.471 9.149 ( 0.893 -9.602 -1.700) 9.792 9.182 ( 0.662 -3.320 -2.313) 4.100 9.198 ( -0.458 -1.541 -2.301) 2.806 9.235 ( 1.284 -4.617 -1.726) 5.094 9.552 ( -1.992 -0.988 2.763) 3.547 9.716 ( -5.917 -12.917 -2.845) 14.490 11.844 ( 8.485 12.191 -0.154) 14.854 11.900 ( 3.769 6.072 -1.976) 7.415 12.010 ( 4.024 -5.770 -1.345) 7.162 12.048 ( 6.830 -7.852 -1.183) 10.474 12.282 ( 3.276 -0.719 2.072) 3.943 12.291 ( 0.211 -0.959 3.050) 3.204 12.750 ( -4.667 4.980 -4.144) 7.984 12.796 ( -5.026 0.949 -4.203) 6.619 12.905 ( -3.020 5.101 1.770) 6.186 13.018 ( -3.578 -4.831 0.829) 6.069 13.524 ( 3.879 4.379 -2.503) 6.364 13.577 ( -1.601 0.521 -2.471) 2.990 13.607 ( 5.339 -0.469 -0.833) 5.424 13.631 ( -3.398 -0.883 -0.597) 3.562 14.313 ( -4.983 7.397 1.398) 9.028 14.423 ( -3.244 -3.717 3.923) 6.303 14.821 ( -11.154 11.479 -0.400) 16.010 15.016 ( -7.254 -7.210 2.789) 10.601 15.229 ( -1.113 0.927 -7.936) 8.067 15.301 ( 1.246 -4.544 -1.228) 4.869 15.581 ( -6.260 2.581 3.229) 7.502 15.677 ( -12.666 -6.337 0.347) 14.167 15.906 ( -2.676 2.853 0.199) 3.916 15.985 ( 2.806 -5.225 -1.554) 6.131 16.550 ( 1.147 3.461 -0.054) 3.647 16.613 ( 4.294 -2.917 -0.627) 5.229 17.135 ( -9.785 13.427 -3.508) 16.980 17.349 ( -6.556 -7.771 -4.088) 10.958 17.598 ( 2.313 0.662 0.789) 2.532 17.618 ( 2.107 -1.344 0.621) 2.575 17.776 ( 2.386 5.256 -4.263) 7.175 17.848 ( 2.524 -2.237 -3.153) 4.617 ======================= Grid point 65 (28/45) ======================= q-point: ( 0.25 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 13.559 7.353 2.810) 15.679 1.233 ( 9.758 -1.140 -0.431) 9.834 1.384 ( 2.115 7.094 1.355) 7.525 1.429 ( 3.478 11.961 4.105) 13.115 1.461 ( 2.795 -0.204 -1.655) 3.255 1.591 ( 1.733 -3.026 1.801) 3.925 1.623 ( 8.711 3.063 5.831) 10.921 1.740 ( 7.843 -4.665 7.466) 11.790 1.840 ( 0.340 1.778 -1.404) 2.291 1.894 ( -2.658 -0.414 4.276) 5.052 1.951 ( 1.700 -6.391 7.776) 10.208 1.973 ( -0.406 -5.893 -2.377) 6.368 2.071 ( 2.604 6.799 -1.228) 7.383 2.226 ( 4.360 -6.113 -4.324) 8.664 2.330 ( -5.273 3.548 -3.988) 7.504 2.352 ( -2.366 5.828 1.462) 6.457 2.429 ( -4.332 -1.126 -3.977) 5.988 2.464 ( -4.044 -6.006 -1.782) 7.457 2.596 ( 8.812 8.546 6.613) 13.944 2.631 ( -3.194 1.275 6.495) 7.349 2.663 ( -0.487 2.591 0.472) 2.678 2.748 ( 1.230 4.029 -6.140) 7.447 2.818 ( 3.364 -4.456 -3.867) 6.792 2.898 ( 1.362 -5.411 -8.195) 9.914 2.984 ( 1.985 5.689 -1.940) 6.330 3.056 ( 2.267 -1.420 -1.312) 2.980 3.154 ( -0.655 5.457 -3.690) 6.620 3.215 ( -2.382 -1.870 -8.810) 9.316 3.274 ( -1.228 6.851 0.475) 6.977 3.313 ( -2.180 1.082 -2.357) 3.388 3.393 ( 4.447 4.402 -3.501) 7.170 3.499 ( 0.234 3.180 -10.950) 11.404 3.565 ( -7.337 5.065 -5.494) 10.473 3.616 ( 2.073 2.025 -4.230) 5.128 3.757 ( -5.724 5.371 -2.644) 8.282 3.834 ( -0.599 6.023 4.006) 7.259 3.896 ( -6.767 -2.317 3.884) 8.139 3.992 ( 1.006 3.699 -2.198) 4.419 4.051 ( -2.200 -9.985 -2.697) 10.574 4.205 ( -0.650 -16.124 -1.796) 16.237 4.302 ( 1.164 3.563 6.862) 7.819 4.408 ( 1.604 -3.432 5.746) 6.882 4.510 ( -1.137 -0.037 9.307) 9.376 4.576 ( 1.137 -7.553 10.284) 12.810 4.699 ( -1.440 13.030 2.903) 13.427 4.867 ( -2.993 13.650 -1.894) 14.102 5.052 ( -0.610 -20.839 0.935) 20.869 5.168 ( 0.123 -10.368 -1.170) 10.434 5.312 ( 0.651 -0.539 0.668) 1.077 5.359 ( 0.967 -6.308 -0.679) 6.418 5.381 ( -0.265 -1.125 0.941) 1.491 5.444 ( 1.087 -4.961 -0.408) 5.095 5.630 ( -0.366 0.172 0.003) 0.405 5.654 ( -1.594 -1.375 -0.456) 2.154 5.697 ( 0.939 1.128 0.568) 1.574 5.735 ( 1.585 2.421 -3.517) 4.555 5.799 ( 2.231 2.490 -3.779) 5.046 5.906 ( 4.928 0.127 -9.170) 10.412 6.431 ( -6.198 3.932 12.721) 14.686 6.739 ( -9.255 -23.266 3.123) 25.233 7.307 ( 2.945 6.980 7.898) 10.943 7.423 ( 3.145 -5.065 5.531) 8.132 7.983 ( -4.457 18.764 2.013) 19.391 8.088 ( -3.293 16.158 0.676) 16.504 8.103 ( -6.918 17.037 1.134) 18.423 8.350 ( -9.786 7.998 2.310) 12.848 8.409 ( 3.196 -3.809 -1.367) 5.156 8.613 ( -1.199 -10.895 0.855) 10.994 8.971 ( -1.173 5.567 -0.182) 5.692 9.144 ( -2.413 4.139 -3.401) 5.875 9.156 ( 0.328 -6.333 -2.443) 6.796 9.181 ( 1.953 -5.557 -1.415) 6.057 9.234 ( 2.708 -5.872 -2.600) 6.970 9.262 ( 1.416 -4.436 -2.411) 5.244 9.527 ( -1.152 -8.498 4.113) 9.512 9.598 ( -4.574 -12.628 1.159) 13.481 11.947 ( 2.789 6.302 -3.601) 7.776 12.031 ( 2.317 0.619 -4.469) 5.072 12.061 ( 4.324 4.753 0.377) 6.437 12.156 ( 3.825 -2.136 0.075) 4.381 12.343 ( 4.733 4.212 2.860) 6.951 12.450 ( 11.885 -6.699 -0.009) 13.643 12.634 ( -6.065 6.077 -4.278) 9.593 12.707 ( -3.217 -1.445 -2.260) 4.189 12.850 ( -0.829 2.997 2.422) 3.942 12.955 ( -2.297 -6.841 1.127) 7.304 13.377 ( -11.637 4.446 0.989) 12.497 13.465 ( -8.127 -4.543 -0.238) 9.314 13.721 ( 7.766 3.775 -4.048) 9.536 13.785 ( 6.878 -2.624 -3.972) 8.365 14.226 ( -3.182 6.676 0.727) 7.431 14.311 ( -6.527 -2.179 3.264) 7.616 14.559 ( -12.513 13.902 2.390) 18.856 14.792 ( -14.214 -9.999 3.874) 17.805 15.124 ( -10.404 7.131 -8.025) 14.950 15.286 ( -6.726 -7.812 -4.447) 11.227 15.489 ( -1.338 1.364 4.376) 4.775 15.541 ( 4.969 -4.189 4.012) 7.638 15.850 ( -1.808 9.089 -1.846) 9.449 16.041 ( 2.720 -11.228 -4.293) 12.325 16.581 ( 1.556 6.288 -0.434) 6.492 16.710 ( 4.210 -6.273 -0.880) 7.606 16.940 ( -8.927 12.072 0.366) 15.019 17.183 ( -9.220 -11.673 0.264) 14.877 17.650 ( 2.708 1.308 0.672) 3.082 17.672 ( 3.006 -0.736 0.982) 3.247 17.814 ( 1.053 5.681 -1.587) 5.992 17.881 ( 0.461 -1.452 -1.442) 2.097 ======================= Grid point 66 (29/45) ======================= q-point: ( 0.38 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 5.908 7.242 0.314) 9.351 1.418 ( 6.621 6.535 1.062) 9.363 1.455 ( 5.348 3.925 -0.320) 6.642 1.475 ( 2.922 5.948 1.547) 6.805 1.527 ( 5.009 0.594 -0.219) 5.049 1.639 ( 3.160 -0.018 2.257) 3.884 1.741 ( 3.455 1.682 3.743) 5.364 1.826 ( 0.388 -3.617 -1.110) 3.804 1.848 ( -0.699 -4.201 4.336) 6.078 1.892 ( 2.404 3.748 2.338) 5.029 1.945 ( -1.164 -2.884 -3.445) 4.641 2.027 ( 1.057 -8.239 5.138) 9.767 2.140 ( 3.136 4.482 1.783) 5.753 2.262 ( -0.168 -1.848 -1.417) 2.335 2.274 ( -5.251 -5.437 -1.884) 7.790 2.295 ( 1.470 -6.968 -3.525) 7.946 2.362 ( 2.422 3.716 -2.846) 5.270 2.419 ( -0.636 -2.646 -1.263) 3.000 2.558 ( -4.092 3.491 4.265) 6.864 2.631 ( -0.465 -2.846 2.221) 3.640 2.705 ( -1.580 5.485 -8.143) 9.944 2.809 ( 2.099 -0.764 -5.900) 6.309 2.881 ( 2.459 3.682 -6.847) 8.154 2.927 ( 3.800 0.247 -2.450) 4.528 3.049 ( -0.040 3.438 1.174) 3.634 3.076 ( -0.365 9.190 -3.560) 9.862 3.096 ( -2.783 -0.955 -1.039) 3.121 3.171 ( 1.281 0.931 -0.302) 1.612 3.260 ( -1.306 7.609 0.286) 7.725 3.304 ( -0.168 3.833 -3.489) 5.185 3.402 ( -3.955 4.874 -2.792) 6.869 3.462 ( 1.659 4.477 -0.660) 4.820 3.506 ( 1.650 3.776 -4.812) 6.335 3.654 ( -2.754 3.600 -1.237) 4.698 3.716 ( 1.193 -0.714 0.368) 1.439 3.789 ( 2.768 -8.652 0.675) 9.109 3.883 ( 2.656 2.991 2.698) 4.825 3.953 ( -5.174 0.937 -2.788) 5.952 4.023 ( -1.241 -4.022 -3.326) 5.365 4.149 ( -5.059 -13.234 -0.921) 14.198 4.311 ( -0.459 6.015 4.452) 7.498 4.429 ( 0.541 -2.342 5.835) 6.311 4.468 ( -2.276 1.746 7.112) 7.669 4.551 ( -2.715 -4.801 9.526) 11.007 4.702 ( 1.220 13.856 0.332) 13.914 4.804 ( -2.837 15.747 -0.686) 16.016 5.059 ( 1.370 -19.383 0.929) 19.453 5.154 ( -1.681 -13.736 -0.552) 13.849 5.327 ( 0.770 1.452 -0.291) 1.669 5.367 ( -0.062 2.612 0.303) 2.630 5.418 ( 3.134 -8.447 -1.648) 9.159 5.462 ( 0.602 -6.692 -0.911) 6.781 5.600 ( -2.340 -2.168 -0.770) 3.282 5.639 ( 0.359 -2.871 -1.918) 3.472 5.681 ( -1.534 1.685 0.225) 2.290 5.755 ( -0.188 -4.008 -0.330) 4.026 5.841 ( 2.054 11.863 -4.798) 12.961 6.021 ( 6.304 2.933 -4.082) 8.062 6.305 ( -6.142 -3.073 5.627) 8.879 6.560 ( -7.575 -20.727 3.498) 22.344 7.392 ( 5.536 7.899 4.632) 10.701 7.512 ( 5.785 -4.365 4.149) 8.351 7.823 ( -10.991 6.316 5.199) 13.701 7.869 ( -10.226 5.059 3.550) 11.949 8.115 ( 1.002 27.652 -0.489) 27.675 8.199 ( -4.492 21.472 0.485) 21.942 8.468 ( 2.298 -7.164 -2.488) 7.924 8.599 ( -0.338 -12.942 0.916) 12.978 8.951 ( -0.736 6.343 -1.795) 6.633 9.094 ( -2.027 11.850 0.023) 12.022 9.171 ( 0.867 -11.561 -3.821) 12.207 9.214 ( 0.796 -4.651 -1.873) 5.077 9.290 ( 3.074 -2.364 0.132) 3.881 9.298 ( 2.000 -7.681 -5.186) 9.481 9.462 ( -4.500 -10.014 1.875) 11.138 9.565 ( 0.017 -13.208 4.194) 13.858 11.983 ( 1.063 3.563 -6.635) 7.606 12.025 ( 0.376 -0.934 -6.366) 6.446 12.140 ( 1.266 5.871 -1.018) 6.092 12.204 ( 0.202 -0.913 -2.004) 2.211 12.417 ( 1.999 14.071 0.465) 14.220 12.530 ( -3.212 10.362 -0.345) 10.854 12.666 ( 7.026 -8.803 0.813) 11.293 12.693 ( 2.196 -8.091 1.568) 8.529 12.898 ( 4.485 -1.292 3.248) 5.686 12.945 ( 2.238 -6.522 0.382) 6.906 13.151 ( -9.989 2.696 2.065) 10.550 13.271 ( -10.335 -8.605 1.554) 13.538 13.842 ( 4.231 2.818 -4.196) 6.592 13.886 ( 4.252 -1.367 -4.730) 6.505 14.135 ( -7.960 3.665 -4.817) 10.000 14.174 ( -6.621 -0.210 -6.265) 9.118 14.466 ( 5.334 7.925 6.390) 11.493 14.560 ( -5.469 -2.630 8.815) 10.702 14.860 ( -14.150 11.359 -1.460) 18.204 15.038 ( -15.665 -6.021 -1.076) 16.817 15.581 ( 7.051 5.325 0.036) 8.836 15.724 ( 10.592 -8.373 0.021) 13.502 15.846 ( 0.903 9.916 0.567) 9.973 16.085 ( 1.006 -13.769 -1.419) 13.879 16.605 ( 0.895 8.568 -0.251) 8.618 16.730 ( -3.981 7.375 -1.090) 8.452 16.822 ( -0.595 -6.718 1.286) 6.866 16.999 ( -8.344 -12.914 0.929) 15.403 17.705 ( 2.597 2.473 -0.154) 3.590 17.733 ( 2.909 -0.513 0.018) 2.954 17.816 ( -0.760 4.807 -0.150) 4.869 17.867 ( -1.660 -0.656 -0.253) 1.803 ======================= Grid point 67 (30/45) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 0.000 8.745 0.834) 8.785 1.457 ( 0.000 12.632 1.290) 12.697 1.505 ( 0.000 -1.189 -1.555) 1.958 1.543 ( -0.000 3.905 -0.132) 3.907 1.616 ( 0.000 0.402 2.373) 2.407 1.730 ( 0.000 5.440 7.449) 9.224 1.730 ( -0.000 -7.990 0.808) 8.031 1.842 ( 0.000 -0.837 0.888) 1.220 1.847 ( -0.000 0.201 -1.822) 1.833 1.897 ( 0.000 3.528 2.560) 4.359 1.954 ( -0.000 -6.686 -2.111) 7.012 1.977 ( 0.000 -6.760 0.480) 6.777 2.190 ( 0.000 -1.143 -2.012) 2.314 2.197 ( -0.000 3.996 1.145) 4.157 2.273 ( 0.000 -8.103 2.482) 8.474 2.304 ( 0.000 -5.866 0.949) 5.943 2.417 ( 0.000 3.606 -4.425) 5.709 2.474 ( -0.000 5.864 -3.719) 6.944 2.486 ( 0.000 -2.561 -6.172) 6.682 2.579 ( 0.000 -4.544 -3.825) 5.939 2.754 ( 0.000 2.605 -4.246) 4.982 2.823 ( 0.000 -2.857 -6.406) 7.014 2.862 ( -0.000 0.477 1.426) 1.504 2.872 ( -0.000 1.801 -3.581) 4.008 3.050 ( 0.000 5.850 -3.795) 6.973 3.078 ( 0.000 0.924 -3.697) 3.811 3.111 ( 0.000 13.843 -0.585) 13.855 3.219 ( 0.000 -1.958 0.930) 2.168 3.269 ( 0.000 10.494 3.957) 11.215 3.285 ( 0.000 6.479 1.773) 6.717 3.350 ( 0.000 3.093 -2.805) 4.176 3.477 ( 0.000 -5.426 0.578) 5.457 3.518 ( 0.000 7.150 -4.194) 8.289 3.706 ( -0.000 2.998 -0.304) 3.013 3.719 ( -0.000 7.442 0.246) 7.447 3.774 ( 0.000 -8.953 4.525) 10.032 3.930 ( 0.000 -4.843 -5.305) 7.183 3.948 ( 0.000 -10.456 2.544) 10.761 3.981 ( 0.000 2.023 -0.549) 2.096 4.048 ( 0.000 -6.295 -2.343) 6.717 4.298 ( 0.000 8.630 2.479) 8.979 4.437 ( -0.000 3.442 8.134) 8.833 4.439 ( 0.000 -4.042 4.062) 5.731 4.519 ( 0.000 -3.238 7.848) 8.489 4.719 ( 0.000 16.429 -1.524) 16.500 4.770 ( 0.000 13.302 0.913) 13.333 5.098 ( 0.000 -15.498 0.303) 15.501 5.112 ( 0.000 -18.993 1.023) 19.020 5.335 ( 0.000 4.207 -1.228) 4.383 5.370 ( 0.000 1.885 0.788) 2.043 5.448 ( 0.000 -6.011 -2.141) 6.381 5.478 ( 0.000 -9.302 -1.692) 9.454 5.568 ( 0.000 0.230 -2.518) 2.528 5.650 ( 0.000 -8.571 -3.836) 9.391 5.660 ( 0.000 3.546 1.771) 3.963 5.746 ( 0.000 -4.993 1.525) 5.221 5.866 ( 0.000 15.256 -4.721) 15.969 6.125 ( 0.000 16.342 6.415) 17.556 6.206 ( 0.000 -19.352 -7.390) 20.715 6.475 ( 0.000 -19.755 5.128) 20.410 7.490 ( 0.000 9.759 -0.265) 9.762 7.642 ( 0.000 6.581 7.945) 10.316 7.646 ( -0.000 -6.024 2.884) 6.679 7.708 ( -0.000 0.008 6.940) 6.940 8.131 ( 0.000 26.264 -0.568) 26.270 8.152 ( 0.000 27.987 0.161) 27.988 8.493 ( 0.000 -9.192 -2.998) 9.669 8.596 ( 0.000 -13.109 1.136) 13.158 8.944 ( 0.000 7.349 -2.987) 7.933 9.072 ( 0.000 12.525 2.146) 12.707 9.183 ( 0.000 -13.533 -5.070) 14.451 9.217 ( 0.000 -2.339 -1.178) 2.619 9.321 ( 0.000 -8.833 -6.654) 11.059 9.355 ( -0.000 5.627 1.292) 5.774 9.383 ( 0.000 -17.092 2.145) 17.226 9.566 ( 0.000 -13.690 3.957) 14.250 11.996 ( 0.000 3.288 -8.776) 9.372 12.044 ( 0.000 -1.623 -9.390) 9.529 12.135 ( 0.000 4.831 -1.621) 5.095 12.191 ( 0.000 -0.501 -1.545) 1.624 12.435 ( 0.000 16.858 -1.092) 16.894 12.505 ( 0.000 14.313 2.896) 14.603 12.714 ( 0.000 -7.926 2.527) 8.319 12.750 ( 0.000 -14.370 2.579) 14.599 12.956 ( -0.000 1.682 1.380) 2.176 13.018 ( 0.000 -1.351 2.933) 3.229 13.059 ( -0.000 -5.611 1.937) 5.936 13.089 ( 0.000 -10.624 2.341) 10.879 13.897 ( 0.000 5.086 -5.644) 7.597 13.982 ( 0.000 -3.604 -6.673) 7.584 13.998 ( 0.000 3.177 -2.990) 4.363 14.066 ( 0.000 -3.842 -4.115) 5.630 14.580 ( 0.000 7.431 2.099) 7.722 14.633 ( -0.000 11.167 5.855) 12.609 14.669 ( 0.000 -1.489 -0.095) 1.492 14.745 ( -0.000 -0.061 3.892) 3.892 15.672 ( 0.000 7.173 -3.541) 7.999 15.847 ( 0.000 11.378 3.892) 12.025 15.874 ( 0.000 -13.528 -4.142) 14.148 16.080 ( 0.000 -12.069 4.635) 12.929 16.625 ( -0.000 9.443 -0.680) 9.467 16.657 ( 0.000 10.800 0.613) 10.817 16.841 ( 0.000 -12.846 -1.065) 12.890 16.891 ( 0.000 -13.104 0.940) 13.137 17.740 ( 0.000 3.193 -1.462) 3.512 17.773 ( 0.000 -0.504 -1.568) 1.648 17.799 ( 0.000 4.017 1.075) 4.159 17.837 ( 0.000 -0.124 1.162) 1.168 ======================= Grid point 90 (31/45) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 0.000 0.000 14.175) 14.175 0.804 ( 0.000 0.000 13.311) 13.311 1.047 ( 0.000 0.000 -1.281) 1.281 1.141 ( 0.000 0.000 0.824) 0.824 1.334 ( 0.000 0.000 -5.506) 5.506 1.376 ( 0.000 0.000 -2.026) 2.026 1.533 ( 0.000 0.000 2.813) 2.813 1.648 ( 0.000 0.000 31.796) 31.796 1.667 ( 0.000 0.000 -7.049) 7.049 1.740 ( 0.000 0.000 13.599) 13.599 1.867 ( 0.000 0.000 0.141) 0.141 1.911 ( 0.000 0.000 -4.531) 4.531 2.136 ( 0.000 0.000 -6.478) 6.478 2.216 ( 0.000 0.000 5.580) 5.580 2.223 ( 0.000 0.000 -6.534) 6.534 2.266 ( 0.000 0.000 1.239) 1.239 2.355 ( 0.000 0.000 4.093) 4.093 2.410 ( 0.000 0.000 7.186) 7.186 2.536 ( 0.000 0.000 2.778) 2.778 2.608 ( 0.000 0.000 -18.268) 18.268 2.613 ( 0.000 0.000 -11.197) 11.197 2.619 ( 0.000 0.000 -7.758) 7.758 2.748 ( 0.000 0.000 4.850) 4.850 2.779 ( 0.000 0.000 -3.597) 3.597 2.791 ( 0.000 0.000 -3.900) 3.900 2.987 ( 0.000 0.000 -17.447) 17.447 3.021 ( 0.000 0.000 5.142) 5.142 3.039 ( 0.000 0.000 9.962) 9.962 3.061 ( 0.000 0.000 0.139) 0.139 3.282 ( 0.000 0.000 3.908) 3.908 3.298 ( 0.000 0.000 -12.761) 12.761 3.376 ( 0.000 0.000 -4.874) 4.874 3.672 ( 0.000 0.000 3.120) 3.120 3.739 ( 0.000 0.000 -3.664) 3.664 3.769 ( 0.000 0.000 2.584) 2.584 3.813 ( 0.000 0.000 -2.196) 2.196 4.053 ( 0.000 0.000 6.879) 6.879 4.158 ( 0.000 0.000 -3.218) 3.218 4.402 ( 0.000 0.000 1.776) 1.776 4.403 ( 0.000 0.000 2.021) 2.021 4.478 ( 0.000 0.000 1.013) 1.013 4.512 ( 0.000 0.000 -1.894) 1.894 4.515 ( 0.000 0.000 6.102) 6.102 4.614 ( 0.000 0.000 -3.104) 3.104 4.880 ( 0.000 0.000 11.377) 11.377 5.007 ( 0.000 0.000 -2.160) 2.160 5.261 ( 0.000 0.000 -1.555) 1.555 5.277 ( 0.000 0.000 0.759) 0.759 5.289 ( 0.000 0.000 -4.070) 4.070 5.341 ( 0.000 0.000 -4.649) 4.649 5.435 ( 0.000 0.000 2.852) 2.852 5.452 ( 0.000 0.000 0.008) 0.008 5.456 ( 0.000 0.000 -0.517) 0.517 5.499 ( 0.000 0.000 -3.696) 3.696 5.645 ( 0.000 0.000 1.863) 1.863 5.699 ( 0.000 0.000 -3.887) 3.887 6.592 ( 0.000 0.000 0.495) 0.495 6.604 ( 0.000 0.000 -0.670) 0.670 6.818 ( 0.000 0.000 0.098) 0.098 6.819 ( 0.000 0.000 -0.029) 0.029 7.182 ( 0.000 0.000 17.539) 17.539 7.371 ( 0.000 0.000 21.690) 21.690 7.459 ( 0.000 0.000 -8.268) 8.268 7.734 ( 0.000 0.000 -14.352) 14.352 8.192 ( 0.000 0.000 2.265) 2.265 8.234 ( 0.000 0.000 -1.954) 1.954 8.378 ( 0.000 0.000 2.405) 2.405 8.418 ( 0.000 0.000 -2.028) 2.028 8.976 ( 0.000 0.000 9.770) 9.770 9.200 ( 0.000 0.000 -11.090) 11.090 9.242 ( 0.000 0.000 5.266) 5.266 9.361 ( 0.000 0.000 -5.834) 5.834 9.494 ( 0.000 0.000 -0.126) 0.126 9.495 ( 0.000 0.000 -0.287) 0.287 10.159 ( 0.000 0.000 4.396) 4.396 10.266 ( 0.000 0.000 -5.879) 5.879 11.413 ( 0.000 0.000 1.811) 1.811 11.452 ( 0.000 0.000 -1.939) 1.939 12.079 ( 0.000 0.000 0.464) 0.464 12.098 ( 0.000 0.000 -1.504) 1.504 12.277 ( 0.000 0.000 2.055) 2.055 12.310 ( 0.000 0.000 -1.215) 1.215 12.587 ( 0.000 0.000 4.732) 4.732 12.715 ( 0.000 0.000 -7.796) 7.796 12.719 ( 0.000 0.000 0.843) 0.843 12.745 ( 0.000 0.000 -1.803) 1.803 13.472 ( 0.000 0.000 0.145) 0.145 13.477 ( 0.000 0.000 -0.417) 0.417 13.550 ( 0.000 0.000 4.544) 4.544 13.666 ( 0.000 0.000 -7.014) 7.014 14.223 ( 0.000 0.000 14.793) 14.793 14.501 ( 0.000 0.000 -12.566) 12.566 14.563 ( 0.000 0.000 11.134) 11.134 14.794 ( 0.000 0.000 -12.057) 12.057 15.448 ( 0.000 0.000 4.217) 4.217 15.529 ( 0.000 0.000 -3.835) 3.835 15.823 ( 0.000 0.000 8.824) 8.824 15.950 ( 0.000 0.000 -4.088) 4.088 16.219 ( 0.000 0.000 3.996) 3.996 16.293 ( 0.000 0.000 -3.226) 3.226 16.509 ( 0.000 0.000 2.454) 2.454 16.547 ( 0.000 0.000 -1.301) 1.301 16.612 ( 0.000 0.000 4.106) 4.106 16.729 ( 0.000 0.000 -6.986) 6.986 17.602 ( 0.000 0.000 1.454) 1.454 17.630 ( 0.000 0.000 -1.173) 1.173 17.773 ( 0.000 0.000 1.745) 1.745 17.816 ( 0.000 0.000 -2.408) 2.408 ======================= Grid point 91 (32/45) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 7.597 0.000 12.798) 14.883 0.928 ( 11.275 0.000 12.135) 16.565 1.068 ( 2.350 0.000 0.885) 2.512 1.236 ( 7.826 0.000 4.087) 8.829 1.337 ( 1.980 0.000 -9.872) 10.068 1.375 ( 0.455 0.000 -0.679) 0.817 1.503 ( 0.388 0.000 0.567) 0.687 1.629 ( -2.589 0.000 -7.396) 7.836 1.830 ( 3.561 0.000 6.598) 7.498 1.853 ( 1.954 0.000 9.213) 9.418 1.885 ( 7.416 0.000 6.265) 9.708 1.934 ( 11.473 0.000 11.348) 16.136 2.141 ( 0.499 0.000 0.805) 0.947 2.206 ( -1.033 0.000 2.163) 2.397 2.244 ( -1.490 0.000 -0.129) 1.496 2.278 ( 1.261 0.000 -1.553) 2.001 2.339 ( 0.730 0.000 -1.529) 1.695 2.367 ( 1.997 0.000 -0.841) 2.167 2.565 ( 3.278 0.000 2.513) 4.130 2.639 ( -1.313 0.000 -2.588) 2.902 2.641 ( 1.939 0.000 -6.315) 6.606 2.706 ( 4.005 0.000 -8.907) 9.766 2.739 ( -0.763 0.000 0.830) 1.128 2.796 ( -0.845 0.000 1.102) 1.388 2.830 ( 4.930 0.000 -3.551) 6.076 2.919 ( 0.407 0.000 -13.893) 13.899 3.005 ( -1.871 0.000 3.738) 4.180 3.065 ( 1.938 0.000 -1.519) 2.463 3.068 ( -0.251 0.000 -2.060) 2.075 3.190 ( -5.258 0.000 -9.362) 10.738 3.306 ( 0.174 0.000 2.959) 2.964 3.399 ( -2.440 0.000 -5.307) 5.841 3.574 ( -5.799 0.000 2.638) 6.371 3.633 ( -6.383 0.000 -3.276) 7.175 3.785 ( -2.113 0.000 2.894) 3.584 3.804 ( -3.934 0.000 0.624) 3.983 4.005 ( -3.754 0.000 3.664) 5.246 4.076 ( -7.752 0.000 -3.030) 8.324 4.319 ( -2.944 0.000 2.392) 3.793 4.340 ( -5.204 0.000 0.139) 5.206 4.451 ( -2.205 0.000 0.350) 2.233 4.453 ( -1.973 0.000 0.196) 1.983 4.555 ( 1.307 0.000 3.092) 3.357 4.610 ( -2.071 0.000 -1.639) 2.641 4.929 ( 2.657 0.000 8.626) 9.025 5.013 ( -0.162 0.000 -0.731) 0.748 5.273 ( -0.586 0.000 0.973) 1.136 5.295 ( -0.534 0.000 -0.671) 0.857 5.332 ( 1.614 0.000 -1.112) 1.960 5.344 ( 3.139 0.000 -2.637) 4.100 5.399 ( 1.000 0.000 0.317) 1.049 5.412 ( 1.483 0.000 -1.087) 1.838 5.509 ( 2.419 0.000 2.598) 3.550 5.597 ( 3.485 0.000 -5.872) 6.829 5.649 ( 0.370 0.000 1.592) 1.634 5.695 ( -0.333 0.000 -3.279) 3.296 6.575 ( -1.527 0.000 0.981) 1.815 6.594 ( -0.966 0.000 -0.953) 1.357 6.837 ( 1.703 0.000 0.094) 1.705 6.838 ( 1.814 0.000 -0.071) 1.816 7.122 ( -5.446 0.000 15.334) 16.273 7.291 ( -7.099 0.000 9.485) 11.848 7.447 ( -1.173 0.000 0.533) 1.288 7.676 ( -5.329 0.000 -12.475) 13.565 8.153 ( -7.234 0.000 3.758) 8.152 8.178 ( -1.659 0.000 1.101) 1.991 8.394 ( 1.217 0.000 2.868) 3.116 8.459 ( 3.240 0.000 -4.121) 5.242 8.948 ( -2.042 0.000 8.036) 8.292 9.098 ( -6.738 0.000 -3.481) 7.584 9.290 ( 2.322 0.000 -2.630) 3.508 9.341 ( -1.358 0.000 -5.160) 5.335 9.479 ( -1.227 0.000 -0.328) 1.270 9.479 ( -0.948 0.000 -0.404) 1.030 10.092 ( -5.334 0.000 4.048) 6.696 10.168 ( -7.162 0.000 -2.563) 7.607 11.509 ( 8.556 0.000 0.335) 8.563 11.521 ( 6.232 0.000 -0.829) 6.287 12.128 ( 2.009 0.000 -0.429) 2.054 12.132 ( 1.382 0.000 -0.346) 1.425 12.269 ( -1.045 0.000 1.184) 1.579 12.308 ( -0.516 0.000 -2.714) 2.762 12.606 ( 2.813 0.000 2.528) 3.782 12.687 ( -1.249 0.000 -5.168) 5.317 12.763 ( 4.341 0.000 1.555) 4.611 12.798 ( 5.032 0.000 -2.114) 5.458 13.494 ( 3.399 0.000 1.196) 3.603 13.512 ( 3.432 0.000 -0.574) 3.479 13.636 ( 5.727 0.000 0.617) 5.760 13.655 ( -2.795 0.000 0.509) 2.841 14.117 ( -7.246 0.000 9.021) 11.570 14.339 ( -13.356 0.000 -11.102) 17.368 14.627 ( 1.949 0.000 10.003) 10.191 14.837 ( 1.513 0.000 -10.685) 10.792 15.405 ( -3.828 0.000 3.577) 5.240 15.482 ( -4.075 0.000 -3.938) 5.667 15.760 ( -21.276 0.000 2.659) 21.441 15.789 ( -17.738 0.000 2.149) 17.868 15.861 ( -8.190 0.000 6.554) 10.489 16.021 ( 2.933 0.000 -7.635) 8.179 16.530 ( -1.990 0.000 4.534) 4.952 16.645 ( -4.145 0.000 -6.550) 7.751 16.935 ( 18.098 0.000 0.297) 18.101 16.940 ( 17.188 0.000 0.027) 17.188 17.628 ( 1.864 0.000 0.943) 2.089 17.641 ( 0.597 0.000 -0.380) 0.708 17.761 ( -1.101 0.000 2.362) 2.606 17.815 ( -0.054 0.000 -2.853) 2.854 ======================= Grid point 92 (33/45) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 9.225 0.000 10.167) 13.728 1.149 ( 5.612 0.000 1.031) 5.706 1.215 ( 16.303 0.000 8.736) 18.496 1.351 ( 4.472 0.000 4.232) 6.157 1.359 ( -2.032 0.000 4.659) 5.083 1.497 ( 11.764 0.000 -9.285) 14.987 1.578 ( 6.250 0.000 -6.306) 8.878 1.580 ( -1.843 0.000 -7.871) 8.084 1.815 ( 0.087 0.000 2.318) 2.319 1.884 ( -1.017 0.000 -5.101) 5.202 1.981 ( 5.187 0.000 10.359) 11.585 2.067 ( -3.093 0.000 2.155) 3.769 2.169 ( -0.147 0.000 1.071) 1.081 2.221 ( -1.206 0.000 -3.517) 3.718 2.249 ( -1.282 0.000 3.958) 4.161 2.354 ( 8.703 0.000 3.159) 9.258 2.476 ( 15.985 0.000 5.311) 16.844 2.488 ( 5.708 0.000 1.717) 5.960 2.541 ( -3.646 0.000 2.893) 4.655 2.638 ( -1.065 0.000 -4.070) 4.207 2.644 ( -5.693 0.000 -0.807) 5.750 2.666 ( -1.286 0.000 -2.818) 3.098 2.718 ( 0.525 0.000 4.845) 4.873 2.766 ( -0.510 0.000 -1.917) 1.984 2.958 ( -1.298 0.000 1.654) 2.103 2.960 ( 7.153 0.000 -2.186) 7.480 3.003 ( -4.345 0.000 -4.735) 6.427 3.076 ( 4.862 0.000 -5.200) 7.119 3.122 ( 7.225 0.000 -7.851) 10.669 3.157 ( -0.656 0.000 -5.786) 5.823 3.262 ( -3.336 0.000 0.835) 3.439 3.313 ( -2.919 0.000 -3.358) 4.449 3.476 ( -9.171 0.000 -1.094) 9.236 3.490 ( -2.068 0.000 -4.014) 4.516 3.686 ( -4.920 0.000 2.422) 5.483 3.717 ( -3.272 0.000 0.228) 3.280 3.893 ( -8.751 0.000 0.880) 8.795 3.938 ( -2.793 0.000 -2.674) 3.866 4.284 ( -0.288 0.000 2.816) 2.831 4.306 ( -0.538 0.000 1.714) 1.796 4.393 ( -4.786 0.000 -0.011) 4.786 4.405 ( -2.256 0.000 -1.205) 2.557 4.544 ( -3.414 0.000 1.705) 3.816 4.567 ( 0.217 0.000 -0.963) 0.987 4.934 ( -2.688 0.000 5.935) 6.516 4.974 ( -4.293 0.000 1.219) 4.463 5.245 ( -2.728 0.000 1.049) 2.923 5.246 ( -1.971 0.000 0.511) 2.037 5.345 ( -0.806 0.000 -0.256) 0.846 5.356 ( -0.559 0.000 -1.750) 1.838 5.490 ( 1.892 0.000 1.625) 2.494 5.512 ( 5.932 0.000 -0.167) 5.934 5.563 ( 5.599 0.000 0.677) 5.640 5.602 ( -1.329 0.000 -2.940) 3.226 5.662 ( 1.153 0.000 1.071) 1.574 5.695 ( 0.552 0.000 -2.340) 2.404 6.540 ( -1.620 0.000 0.967) 1.886 6.568 ( -1.507 0.000 -1.620) 2.212 6.879 ( 2.278 0.000 0.469) 2.326 6.883 ( 2.246 0.000 0.048) 2.246 6.990 ( -6.836 0.000 9.849) 11.989 7.117 ( -9.524 0.000 -0.321) 9.530 7.424 ( -0.668 0.000 3.304) 3.371 7.551 ( -6.153 0.000 -7.177) 9.454 7.985 ( -8.373 0.000 9.547) 12.699 8.101 ( -6.263 0.000 -2.085) 6.601 8.426 ( 2.148 0.000 4.433) 4.926 8.517 ( 2.036 0.000 -4.643) 5.070 8.919 ( -0.608 0.000 4.974) 5.011 8.984 ( -3.901 0.000 -0.492) 3.932 9.331 ( 0.846 0.000 -5.129) 5.198 9.331 ( 1.537 0.000 -5.131) 5.357 9.459 ( -0.631 0.000 -0.129) 0.644 9.465 ( -0.514 0.000 -0.656) 0.833 9.988 ( -4.512 0.000 3.526) 5.726 10.039 ( -5.367 0.000 -0.787) 5.425 11.669 ( 7.434 0.000 0.754) 7.472 11.698 ( 8.685 0.000 -1.795) 8.868 12.095 ( -4.617 0.000 0.745) 4.677 12.110 ( -2.905 0.000 -0.052) 2.905 12.222 ( -3.799 0.000 -0.616) 3.848 12.269 ( -3.891 0.000 -5.660) 6.869 12.726 ( 8.962 0.000 1.165) 9.038 12.750 ( 8.665 0.000 -0.720) 8.695 12.875 ( 5.801 0.000 1.450) 5.979 12.911 ( 5.054 0.000 -2.203) 5.513 13.513 ( -7.481 0.000 5.035) 9.018 13.574 ( -0.233 0.000 -2.556) 2.567 13.639 ( 6.718 0.000 3.091) 7.395 13.718 ( 5.160 0.000 -4.517) 6.857 13.996 ( -4.578 0.000 2.373) 5.156 14.078 ( -9.560 0.000 -4.569) 10.596 14.528 ( -11.136 0.000 11.698) 16.151 14.762 ( -10.534 0.000 -10.956) 15.198 15.189 ( -18.427 0.000 5.737) 19.299 15.315 ( -13.523 0.000 -6.170) 14.864 15.483 ( -2.933 0.000 2.436) 3.813 15.523 ( -2.135 0.000 -1.753) 2.762 15.922 ( 8.157 0.000 10.716) 13.467 16.142 ( 8.601 0.000 -11.289) 14.192 16.486 ( -2.265 0.000 2.287) 3.219 16.547 ( -4.896 0.000 -3.742) 6.162 17.176 ( 6.633 0.000 2.462) 7.075 17.199 ( 8.135 0.000 -0.399) 8.144 17.635 ( -1.265 0.000 0.289) 1.297 17.641 ( -1.196 0.000 -0.285) 1.229 17.746 ( 0.094 0.000 3.438) 3.440 17.812 ( -0.381 0.000 -3.010) 3.034 ======================= Grid point 93 (34/45) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 6.501 0.000 7.115) 9.638 1.274 ( 6.140 0.000 -2.441) 6.608 1.309 ( -2.451 0.000 5.951) 6.436 1.418 ( 0.542 0.000 -1.489) 1.585 1.561 ( 16.974 0.000 6.279) 18.098 1.587 ( 4.176 0.000 0.666) 4.228 1.710 ( 5.971 0.000 -3.966) 7.168 1.737 ( 10.424 0.000 -4.727) 11.446 1.865 ( 4.968 0.000 0.344) 4.979 1.871 ( -0.321 0.000 -2.422) 2.443 1.969 ( -5.649 0.000 3.452) 6.620 2.010 ( -2.099 0.000 0.728) 2.222 2.148 ( -6.390 0.000 -0.797) 6.439 2.177 ( 0.346 0.000 -1.614) 1.651 2.265 ( 2.025 0.000 4.397) 4.840 2.395 ( -3.864 0.000 -4.108) 5.640 2.426 ( -6.428 0.000 0.374) 6.439 2.465 ( -6.955 0.000 -1.592) 7.135 2.568 ( -1.083 0.000 -1.406) 1.775 2.575 ( -1.622 0.000 -1.468) 2.188 2.678 ( 3.413 0.000 2.515) 4.240 2.710 ( 2.194 0.000 -1.018) 2.419 2.775 ( 1.980 0.000 -2.374) 3.092 2.808 ( 4.723 0.000 -4.192) 6.315 2.948 ( 0.224 0.000 -0.509) 0.557 2.961 ( 0.387 0.000 -1.879) 1.918 3.077 ( -1.507 0.000 0.120) 1.512 3.082 ( -2.184 0.000 -0.177) 2.191 3.164 ( 2.682 0.000 2.720) 3.820 3.190 ( -3.403 0.000 0.546) 3.447 3.232 ( 1.953 0.000 1.906) 2.729 3.294 ( 2.400 0.000 -4.359) 4.976 3.386 ( 3.733 0.000 5.326) 6.504 3.552 ( 3.987 0.000 -5.627) 6.896 3.649 ( -2.780 0.000 -1.461) 3.140 3.673 ( 5.586 0.000 -7.960) 9.724 3.803 ( 0.514 0.000 4.797) 4.825 3.892 ( -2.004 0.000 -3.867) 4.355 4.247 ( -4.510 0.000 1.853) 4.875 4.253 ( -7.584 0.000 1.492) 7.729 4.292 ( 0.233 0.000 4.125) 4.132 4.374 ( -1.746 0.000 -2.672) 3.192 4.505 ( -0.178 0.000 3.580) 3.585 4.576 ( 0.770 0.000 -3.767) 3.845 4.820 ( -7.659 0.000 3.220) 8.308 4.821 ( -10.205 0.000 3.041) 10.649 5.201 ( -1.355 0.000 0.599) 1.482 5.208 ( -1.450 0.000 -0.063) 1.451 5.328 ( -0.749 0.000 -0.921) 1.187 5.333 ( -1.215 0.000 -1.522) 1.947 5.478 ( -1.177 0.000 1.286) 1.744 5.508 ( -2.725 0.000 -1.488) 3.105 5.678 ( 4.625 0.000 1.267) 4.796 5.683 ( 2.781 0.000 0.333) 2.801 5.708 ( 4.518 0.000 1.624) 4.801 5.718 ( 2.100 0.000 0.003) 2.100 6.515 ( -0.754 0.000 -0.368) 0.839 6.537 ( -1.460 0.000 -2.213) 2.651 6.861 ( -4.054 0.000 3.708) 5.494 6.921 ( 1.580 0.000 1.014) 1.878 6.932 ( 1.180 0.000 -0.010) 1.180 6.935 ( -7.571 0.000 -3.552) 8.363 7.426 ( 0.655 0.000 3.182) 3.248 7.459 ( -2.625 0.000 -0.520) 2.675 7.850 ( -4.303 0.000 8.335) 9.380 7.951 ( -7.546 0.000 -1.572) 7.708 8.475 ( 2.452 0.000 3.192) 4.025 8.536 ( -0.118 0.000 -2.671) 2.674 8.919 ( 0.364 0.000 3.531) 3.550 8.939 ( -1.007 0.000 1.647) 1.930 9.354 ( 1.357 0.000 -6.115) 6.264 9.363 ( 1.175 0.000 -6.456) 6.562 9.452 ( -0.122 0.000 0.146) 0.190 9.457 ( -0.279 0.000 -0.421) 0.505 9.919 ( -2.170 0.000 2.416) 3.247 9.950 ( -3.444 0.000 -0.300) 3.457 11.789 ( 4.096 0.000 0.749) 4.164 11.821 ( 3.215 0.000 -1.730) 3.651 12.006 ( -2.694 0.000 0.474) 2.736 12.056 ( -1.836 0.000 -3.081) 3.586 12.124 ( -5.251 0.000 -1.125) 5.370 12.165 ( -5.510 0.000 -5.019) 7.453 12.935 ( 7.922 0.000 4.118) 8.928 12.976 ( 2.666 0.000 -0.538) 2.720 12.984 ( 7.814 0.000 -0.095) 7.815 13.008 ( 13.426 0.000 -1.527) 13.512 13.372 ( -5.692 0.000 3.972) 6.941 13.438 ( -8.491 0.000 -3.452) 9.166 13.769 ( 3.248 0.000 2.208) 3.928 13.842 ( 0.126 0.000 -5.150) 5.152 13.961 ( 1.955 0.000 3.367) 3.893 14.040 ( 7.061 0.000 -3.494) 7.878 14.308 ( -5.826 0.000 7.922) 9.833 14.470 ( -13.219 0.000 -7.771) 15.334 14.812 ( -18.684 0.000 9.412) 20.921 14.973 ( -19.687 0.000 -6.436) 20.713 15.523 ( 4.533 0.000 1.561) 4.795 15.554 ( 3.299 0.000 -1.548) 3.645 16.139 ( 10.982 0.000 7.720) 13.424 16.304 ( 4.401 0.000 -8.502) 9.573 16.446 ( -1.074 0.000 0.906) 1.405 16.469 ( -1.602 0.000 -1.403) 2.130 17.243 ( 0.997 0.000 2.950) 3.114 17.282 ( 0.642 0.000 -1.170) 1.334 17.598 ( -2.165 0.000 -0.030) 2.166 17.598 ( -1.934 0.000 -0.058) 1.935 17.760 ( 0.946 0.000 1.882) 2.106 17.798 ( -0.896 0.000 -1.849) 2.055 ======================= Grid point 94 (35/45) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -3.200 0.000 5.163) 6.074 1.254 ( 3.200 0.000 5.163) 6.074 1.378 ( -3.615 0.000 -3.310) 4.901 1.378 ( 3.615 0.000 -3.310) 4.901 1.712 ( -4.833 0.000 2.635) 5.505 1.712 ( 4.833 0.000 2.635) 5.505 1.851 ( -0.006 0.000 1.010) 1.010 1.851 ( 0.006 0.000 1.010) 1.010 1.883 ( -7.014 0.000 2.496) 7.444 1.883 ( 7.014 0.000 2.496) 7.444 1.938 ( -5.109 0.000 3.147) 6.001 1.938 ( 5.109 0.000 3.147) 6.001 2.102 ( -6.849 0.000 -8.452) 10.879 2.102 ( 6.849 0.000 -8.452) 10.879 2.306 ( -0.934 0.000 -2.206) 2.396 2.306 ( 0.934 0.000 -2.206) 2.396 2.351 ( -0.960 0.000 2.235) 2.432 2.351 ( 0.960 0.000 2.235) 2.432 2.573 ( -0.097 0.000 -4.547) 4.548 2.573 ( 0.097 0.000 -4.547) 4.548 2.727 ( -0.019 0.000 0.985) 0.985 2.727 ( 0.019 0.000 0.985) 0.985 2.820 ( -0.288 0.000 -3.487) 3.499 2.820 ( 0.288 0.000 -3.487) 3.499 2.975 ( -0.766 0.000 -0.833) 1.131 2.975 ( 0.766 0.000 -0.833) 1.131 3.024 ( -0.299 0.000 -1.556) 1.585 3.024 ( 0.299 0.000 -1.556) 1.585 3.158 ( -0.006 0.000 0.841) 0.841 3.158 ( 0.006 0.000 0.841) 0.841 3.277 ( -1.477 0.000 0.425) 1.537 3.277 ( 1.477 0.000 0.425) 1.537 3.557 ( -1.331 0.000 0.105) 1.335 3.557 ( 1.331 0.000 0.105) 1.335 3.702 ( -3.947 0.000 2.486) 4.664 3.702 ( 3.947 0.000 2.486) 4.664 3.852 ( -1.230 0.000 -0.833) 1.485 3.852 ( 1.230 0.000 -0.833) 1.485 4.177 ( -0.171 0.000 0.050) 0.178 4.177 ( 0.171 0.000 0.050) 0.178 4.313 ( -2.909 0.000 -0.762) 3.007 4.313 ( 2.909 0.000 -0.762) 3.007 4.551 ( -4.257 0.000 1.511) 4.517 4.551 ( 4.257 0.000 1.511) 4.517 4.699 ( -0.700 0.000 1.155) 1.351 4.699 ( 0.700 0.000 1.155) 1.351 5.191 ( -0.017 0.000 0.139) 0.140 5.191 ( 0.017 0.000 0.139) 0.140 5.319 ( -0.000 0.000 -1.330) 1.330 5.319 ( 0.000 0.000 -1.330) 1.330 5.471 ( -0.110 0.000 -0.141) 0.179 5.471 ( 0.110 0.000 -0.141) 0.179 5.708 ( -0.006 0.000 0.118) 0.118 5.708 ( 0.006 0.000 0.118) 0.118 5.763 ( -0.002 0.000 2.633) 2.633 5.763 ( 0.002 0.000 2.633) 2.633 6.514 ( -0.026 0.000 -1.958) 1.958 6.514 ( 0.026 0.000 -1.958) 1.958 6.833 ( -0.151 0.000 -1.136) 1.146 6.833 ( 0.151 0.000 -1.136) 1.146 6.943 ( -0.003 0.000 0.288) 0.288 6.943 ( 0.003 0.000 0.288) 0.288 7.436 ( -0.003 0.000 3.356) 3.356 7.436 ( 0.003 0.000 3.356) 3.356 7.835 ( -3.007 0.000 2.459) 3.884 7.835 ( 3.007 0.000 2.459) 3.884 8.517 ( -0.567 0.000 0.278) 0.631 8.517 ( 0.567 0.000 0.278) 0.631 8.927 ( -0.030 0.000 2.808) 2.808 8.927 ( 0.030 0.000 2.808) 2.808 9.373 ( -0.032 0.000 -6.738) 6.739 9.373 ( 0.032 0.000 -6.738) 6.739 9.453 ( -0.015 0.000 0.018) 0.023 9.453 ( 0.015 0.000 0.018) 0.023 9.905 ( -0.112 0.000 0.829) 0.837 9.905 ( 0.113 0.000 0.829) 0.837 11.837 ( -0.148 0.000 -0.273) 0.311 11.837 ( 0.148 0.000 -0.273) 0.311 12.012 ( -0.607 0.000 -3.209) 3.266 12.012 ( 0.607 0.000 -3.209) 3.266 12.081 ( -0.761 0.000 -2.151) 2.282 12.081 ( 0.761 0.000 -2.151) 2.282 12.988 ( -0.035 0.000 0.027) 0.044 12.988 ( 0.035 0.000 0.027) 0.044 13.179 ( -1.808 0.000 3.039) 3.536 13.179 ( 1.808 0.000 3.039) 3.536 13.304 ( -1.131 0.000 0.248) 1.158 13.304 ( 1.131 0.000 0.248) 1.158 13.798 ( -0.382 0.000 -1.850) 1.889 13.798 ( 0.382 0.000 -1.850) 1.889 14.025 ( -2.876 0.000 -2.764) 3.989 14.025 ( 2.876 0.000 -2.764) 3.989 14.423 ( -11.557 0.000 5.840) 12.949 14.423 ( 11.557 0.000 5.840) 12.949 14.582 ( -14.277 0.000 -2.607) 14.513 14.582 ( 14.277 0.000 -2.607) 14.513 15.590 ( -0.116 0.000 0.004) 0.116 15.590 ( 0.116 0.000 0.004) 0.116 16.286 ( -1.742 0.000 0.284) 1.765 16.286 ( 1.742 0.000 0.284) 1.765 16.464 ( -0.582 0.000 0.005) 0.582 16.464 ( 0.582 0.000 0.005) 0.582 17.261 ( -0.520 0.000 0.154) 0.543 17.261 ( 0.520 0.000 0.154) 0.543 17.575 ( -0.002 0.000 -0.104) 0.104 17.575 ( 0.002 0.000 -0.104) 0.104 17.779 ( -0.217 0.000 -0.060) 0.225 17.779 ( 0.217 0.000 -0.060) 0.225 ======================= Grid point 99 (36/45) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 0.000 7.228 13.725) 15.512 1.002 ( 0.000 12.341 3.393) 12.799 1.246 ( 0.000 12.957 2.786) 13.253 1.276 ( 0.000 15.738 7.166) 17.293 1.386 ( 0.000 5.131 -6.715) 8.451 1.417 ( 0.000 4.583 0.265) 4.590 1.642 ( 0.000 0.345 13.727) 13.732 1.648 ( 0.000 12.106 -4.856) 13.043 1.684 ( 0.000 2.745 0.640) 2.818 1.709 ( 0.000 -2.889 12.616) 12.943 1.900 ( 0.000 -1.377 -2.201) 2.596 1.971 ( 0.000 7.923 4.376) 9.051 2.094 ( 0.000 -3.785 1.299) 4.002 2.215 ( 0.000 2.697 -0.809) 2.816 2.298 ( 0.000 -2.353 -1.250) 2.664 2.319 ( 0.000 -0.870 4.650) 4.730 2.324 ( 0.000 3.951 2.727) 4.800 2.456 ( 0.000 9.468 -1.871) 9.651 2.492 ( 0.000 -3.831 -11.698) 12.309 2.606 ( 0.000 1.958 -12.017) 12.176 2.627 ( 0.000 4.856 7.656) 9.066 2.721 ( 0.000 1.958 -3.206) 3.756 2.739 ( 0.000 0.523 -13.206) 13.216 2.780 ( 0.000 3.236 -5.689) 6.545 2.822 ( 0.000 0.929 1.379) 1.663 2.978 ( 0.000 -3.575 -8.106) 8.859 3.010 ( 0.000 -2.451 5.764) 6.264 3.050 ( 0.000 2.706 2.108) 3.430 3.129 ( 0.000 7.908 -0.318) 7.914 3.266 ( 0.000 -1.610 1.622) 2.285 3.328 ( 0.000 4.736 -9.564) 10.672 3.362 ( 0.000 -1.401 -2.913) 3.232 3.539 ( 0.000 -10.268 -1.128) 10.329 3.556 ( 0.000 -9.744 -2.119) 9.972 3.812 ( 0.000 0.174 2.330) 2.337 3.864 ( 0.000 2.019 -2.629) 3.315 4.037 ( 0.000 -0.433 7.539) 7.551 4.147 ( 0.000 -1.180 -3.197) 3.407 4.349 ( 0.000 -4.372 2.287) 4.934 4.351 ( 0.000 -3.475 2.544) 4.306 4.469 ( 0.000 -1.659 0.551) 1.748 4.471 ( 0.000 -4.965 0.041) 4.965 4.591 ( 0.000 5.414 5.439) 7.675 4.684 ( 0.000 4.647 -3.053) 5.560 4.810 ( 0.000 -4.841 8.707) 9.963 4.909 ( 0.000 -8.655 -1.041) 8.717 5.250 ( 0.000 -0.153 -1.127) 1.137 5.273 ( 0.000 -2.147 -2.760) 3.497 5.335 ( 0.000 2.934 0.289) 2.948 5.355 ( 0.000 3.224 -1.982) 3.784 5.466 ( 0.000 1.771 1.235) 2.159 5.478 ( 0.000 2.602 -0.127) 2.605 5.479 ( 0.000 1.908 -0.104) 1.911 5.499 ( 0.000 -0.848 -1.223) 1.489 5.653 ( 0.000 0.448 0.938) 1.040 5.694 ( 0.000 -0.620 -3.322) 3.380 5.976 ( 0.000 -33.710 0.556) 33.715 5.991 ( 0.000 -32.315 -0.731) 32.324 7.012 ( 0.000 -9.053 16.972) 19.236 7.255 ( 0.000 -0.205 -6.636) 6.640 7.415 ( 0.000 7.448 11.179) 13.433 7.481 ( 0.000 29.962 4.447) 30.291 7.507 ( 0.000 17.522 -4.601) 18.116 7.610 ( 0.000 -2.647 -1.471) 3.028 8.250 ( 0.000 4.225 1.726) 4.564 8.256 ( 0.000 5.786 1.237) 5.916 8.516 ( 0.000 9.292 2.599) 9.648 8.613 ( 0.000 16.465 -5.571) 17.382 8.988 ( 0.000 1.329 8.216) 8.323 9.175 ( 0.000 -6.100 3.872) 7.225 9.177 ( 0.000 -2.368 -8.967) 9.274 9.277 ( 0.000 -8.137 -5.188) 9.650 9.381 ( 0.000 -11.124 -0.081) 11.124 9.385 ( 0.000 -10.491 -0.465) 10.502 9.940 ( 0.000 -23.053 3.934) 23.386 9.980 ( 0.000 -15.617 -1.201) 15.663 11.552 ( 0.000 11.493 3.607) 12.046 11.645 ( 0.000 11.476 -5.651) 12.792 12.037 ( 0.000 -3.957 0.437) 3.981 12.061 ( 0.000 -4.109 -1.944) 4.546 12.304 ( 0.000 0.371 1.219) 1.274 12.312 ( 0.000 2.587 0.280) 2.602 12.667 ( 0.000 4.919 1.665) 5.193 12.739 ( 0.000 1.562 -5.486) 5.704 12.802 ( 0.000 9.020 2.988) 9.502 12.892 ( 0.000 11.881 -6.222) 13.412 13.474 ( 0.000 0.237 0.265) 0.356 13.484 ( 0.000 0.694 -0.624) 0.933 13.546 ( 0.000 -0.262 3.897) 3.906 13.654 ( 0.000 -1.364 -6.579) 6.719 14.308 ( 0.000 7.334 8.522) 11.244 14.445 ( 0.000 -1.565 -1.736) 2.337 14.719 ( 0.000 11.556 1.978) 11.724 14.862 ( 0.000 7.124 -9.928) 12.220 15.413 ( 0.000 -3.893 3.408) 5.174 15.471 ( 0.000 -7.238 -1.837) 7.467 15.765 ( 0.000 -5.698 9.592) 11.157 15.918 ( 0.000 -4.309 -5.333) 6.856 16.014 ( 0.000 -8.214 5.056) 9.646 16.097 ( 0.000 -12.244 -3.447) 12.720 16.526 ( 0.000 1.633 2.052) 2.622 16.559 ( 0.000 0.917 -1.046) 1.391 16.936 ( 0.000 20.458 -5.045) 21.071 16.937 ( 0.000 14.943 -3.554) 15.360 17.595 ( 0.000 -0.697 1.193) 1.382 17.617 ( 0.000 -1.219 -0.924) 1.529 17.746 ( 0.000 -2.593 1.676) 3.088 17.791 ( 0.000 -2.500 -2.778) 3.737 ======================= Grid point 100 (37/45) ======================= q-point: ( 0.12 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 7.962 6.502 13.221) 16.747 1.051 ( 4.319 9.777 6.052) 12.283 1.217 ( -0.005 11.083 0.856) 11.116 1.329 ( -1.053 5.448 -0.690) 5.591 1.351 ( 6.058 9.800 1.569) 11.628 1.449 ( 0.136 4.808 -0.254) 4.816 1.602 ( -0.537 4.641 -5.685) 7.359 1.669 ( 0.017 6.649 -3.243) 7.398 1.808 ( 9.615 0.150 9.397) 13.445 1.863 ( 5.666 1.912 4.769) 7.649 1.908 ( 0.338 -0.848 -2.705) 2.855 1.994 ( 8.670 5.018 13.482) 16.796 2.111 ( 1.236 -4.315 2.051) 4.935 2.214 ( -0.487 3.095 -0.944) 3.272 2.264 ( -2.090 -2.607 2.548) 4.202 2.281 ( 0.750 1.585 -0.867) 1.956 2.380 ( 3.075 3.815 4.549) 6.685 2.436 ( -1.483 8.308 -2.989) 8.953 2.565 ( -0.428 -3.661 -6.868) 7.794 2.588 ( 1.233 1.124 1.957) 2.572 2.653 ( 4.816 1.429 -2.562) 5.639 2.727 ( -0.037 1.510 -1.875) 2.408 2.742 ( -1.732 -0.170 -8.221) 8.403 2.781 ( -0.361 3.374 -5.410) 6.386 2.902 ( 7.888 2.642 -6.870) 10.789 2.950 ( -4.136 -1.569 3.101) 5.403 2.993 ( 0.788 0.164 -5.145) 5.208 3.054 ( 1.782 1.596 0.609) 2.469 3.141 ( -0.574 5.466 -2.809) 6.173 3.210 ( -4.196 3.622 -6.471) 8.521 3.296 ( 0.140 0.181 0.589) 0.632 3.358 ( -5.592 -6.311 -1.373) 8.543 3.432 ( -1.395 -4.595 -2.665) 5.492 3.606 ( -2.216 -6.945 -1.258) 7.397 3.758 ( -1.590 3.371 1.185) 3.911 3.892 ( -4.674 4.672 0.774) 6.654 3.973 ( -2.392 -4.072 2.877) 5.530 4.084 ( -6.137 0.495 -1.560) 6.351 4.236 ( -4.096 -4.194 1.302) 6.005 4.356 ( -4.376 -2.935 -0.063) 5.270 4.433 ( -1.816 -1.872 1.960) 3.262 4.475 ( 2.854 -1.204 0.678) 3.171 4.571 ( -2.259 6.094 3.570) 7.416 4.687 ( -1.326 5.509 -2.160) 6.064 4.823 ( 0.875 -8.882 6.445) 11.009 4.938 ( 1.326 -7.421 1.401) 7.667 5.249 ( -0.900 -0.921 -0.717) 1.474 5.260 ( -0.355 -2.621 -1.090) 2.861 5.358 ( 2.175 -0.025 -0.792) 2.315 5.367 ( -1.343 1.072 1.056) 2.017 5.453 ( 0.944 4.622 -0.958) 4.814 5.459 ( 2.063 3.931 -0.619) 4.483 5.544 ( 3.031 0.821 0.106) 3.142 5.554 ( 3.481 -1.830 -0.669) 3.990 5.656 ( 0.077 -0.034 0.360) 0.370 5.696 ( 0.332 -0.160 -2.554) 2.580 5.983 ( 1.314 -33.227 -0.261) 33.254 6.022 ( 1.592 -29.677 -0.779) 29.730 6.941 ( -6.710 -9.955 13.820) 18.306 7.199 ( -5.338 -4.837 -4.412) 8.448 7.414 ( -0.194 8.826 7.814) 11.790 7.475 ( -2.702 20.713 -2.333) 21.018 7.482 ( 0.214 29.453 3.725) 29.688 7.589 ( -1.823 0.327 -1.225) 2.221 8.169 ( -6.461 6.544 1.345) 9.294 8.298 ( 2.314 4.956 2.580) 6.048 8.503 ( -3.210 8.513 1.925) 9.300 8.582 ( -1.410 11.460 -4.004) 12.221 8.962 ( -1.848 1.696 5.787) 6.307 9.082 ( -4.936 -1.361 -1.461) 5.325 9.234 ( 2.153 -5.164 -3.606) 6.657 9.265 ( -0.715 -7.345 -4.439) 8.612 9.357 ( -1.364 -11.270 -0.615) 11.369 9.383 ( -0.471 -9.875 -0.386) 9.894 9.914 ( -2.738 -18.615 2.146) 18.938 9.942 ( -2.675 -14.900 0.820) 15.161 11.636 ( 7.449 10.886 1.632) 13.292 11.685 ( 3.969 11.301 -3.314) 12.427 12.084 ( 1.321 -3.364 -0.755) 3.693 12.121 ( 5.095 -2.860 -0.253) 5.849 12.281 ( -0.878 1.585 -0.687) 1.938 12.342 ( 2.581 1.493 0.566) 3.035 12.600 ( -5.189 2.761 -0.836) 5.937 12.716 ( -0.281 -0.528 -1.433) 1.553 12.794 ( -0.754 7.278 -1.057) 7.393 12.941 ( 3.829 8.685 -1.868) 9.674 13.464 ( 1.828 -1.302 0.631) 2.331 13.529 ( 1.655 0.919 -0.348) 1.925 13.621 ( 3.341 -1.392 0.321) 3.634 13.642 ( -0.322 -1.403 -0.728) 1.613 14.177 ( -6.645 6.695 3.364) 10.015 14.474 ( -7.262 10.266 -4.151) 13.242 14.631 ( -2.669 1.426 6.393) 7.073 14.894 ( 0.230 6.040 -7.808) 9.874 15.319 ( -8.939 -9.389 0.833) 12.990 15.434 ( -2.677 -4.435 -0.098) 5.181 15.662 ( -9.592 -3.451 4.118) 10.995 15.797 ( -12.164 -6.650 1.185) 13.914 15.875 ( -11.971 2.859 1.443) 12.392 15.996 ( 2.242 -2.169 -4.890) 5.800 16.521 ( -1.740 0.198 1.015) 2.024 16.674 ( 6.630 -4.326 -0.587) 7.938 16.820 ( 0.604 9.486 -1.799) 9.674 17.224 ( 11.946 11.330 -2.351) 16.631 17.616 ( 1.569 -0.708 0.500) 1.793 17.644 ( 2.149 -0.046 0.088) 2.151 17.711 ( -1.871 -3.138 0.666) 3.714 17.824 ( 1.939 -0.228 -1.681) 2.576 ======================= Grid point 101 (38/45) ======================= q-point: ( 0.25 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 5.376 7.836 4.048) 10.329 1.188 ( 11.095 3.843 11.412) 16.374 1.284 ( 6.235 9.344 -0.337) 11.238 1.347 ( 2.120 2.011 3.909) 4.880 1.438 ( 1.057 4.355 1.697) 4.792 1.512 ( 8.262 3.574 -4.231) 9.947 1.606 ( 0.890 0.812 -6.670) 6.778 1.693 ( 2.703 9.235 -3.485) 10.234 1.872 ( -0.324 3.062 0.753) 3.170 1.891 ( -0.945 -0.732 -2.732) 2.983 2.007 ( 9.324 3.212 6.342) 11.725 2.138 ( 1.408 -2.341 3.476) 4.421 2.185 ( -0.867 4.309 1.401) 4.614 2.217 ( -0.781 1.140 1.410) 1.974 2.249 ( 1.183 -0.232 -0.441) 1.283 2.305 ( 3.593 -3.202 3.187) 5.772 2.434 ( -0.957 -3.021 -0.645) 3.234 2.481 ( 2.443 -2.247 -4.286) 5.421 2.544 ( 3.988 0.417 3.902) 5.595 2.605 ( -2.339 4.313 5.201) 7.150 2.650 ( -0.804 -0.048 2.315) 2.451 2.675 ( -0.422 6.968 -1.219) 7.087 2.765 ( 1.249 -1.318 -6.230) 6.490 2.823 ( -2.722 2.142 3.932) 5.240 2.865 ( 1.886 -4.653 -3.604) 6.181 3.015 ( -1.411 -0.116 -9.355) 9.461 3.017 ( -0.806 2.071 -1.452) 2.654 3.102 ( 5.354 2.979 -1.930) 6.424 3.125 ( 3.179 4.802 -3.148) 6.563 3.224 ( 2.087 2.677 -3.375) 4.787 3.265 ( -0.193 0.753 -2.382) 2.506 3.321 ( 2.861 1.909 -2.176) 4.070 3.407 ( -3.023 -1.039 -2.895) 4.313 3.488 ( -5.019 -2.893 -1.600) 6.010 3.703 ( -8.817 0.856 -0.166) 8.860 3.762 ( 1.083 4.737 0.526) 4.888 3.917 ( -9.631 3.229 0.890) 10.197 3.960 ( -0.777 0.701 -0.826) 1.334 4.201 ( -0.069 -5.286 2.103) 5.690 4.315 ( -0.452 -3.069 -0.555) 3.151 4.385 ( -2.866 -0.618 0.629) 2.999 4.492 ( -5.103 5.507 0.490) 7.523 4.530 ( 1.650 3.280 1.081) 3.827 4.638 ( -2.921 5.479 0.863) 6.269 4.808 ( -2.927 -9.938 3.756) 11.020 4.925 ( -3.067 -6.186 3.566) 7.771 5.218 ( -1.608 -0.724 0.034) 1.763 5.257 ( -0.671 -2.929 -0.622) 3.069 5.323 ( -1.794 1.415 0.663) 2.379 5.393 ( 0.308 -2.393 -0.251) 2.426 5.492 ( 3.034 2.979 0.445) 4.276 5.513 ( 1.645 3.628 -0.548) 4.021 5.558 ( -0.675 -2.855 -1.546) 3.316 5.614 ( 0.244 -2.693 0.013) 2.704 5.703 ( 5.314 4.670 0.574) 7.097 5.722 ( 3.393 2.250 -1.214) 4.248 6.012 ( 0.748 -31.390 0.535) 31.403 6.038 ( 0.529 -29.009 -2.008) 29.083 6.765 ( -10.096 -12.349 6.767) 17.327 7.065 ( -7.170 -9.012 -1.896) 11.672 7.367 ( -4.222 5.517 4.051) 8.042 7.443 ( -0.867 34.210 -0.356) 34.223 7.497 ( 1.641 19.687 3.389) 20.044 7.563 ( 0.055 8.934 -1.518) 9.062 8.010 ( -8.373 5.951 3.615) 10.890 8.266 ( -8.937 10.499 2.159) 13.956 8.427 ( 0.700 -0.045 1.740) 1.876 8.587 ( 0.727 5.951 -2.805) 6.619 8.937 ( -0.612 2.908 2.185) 3.688 9.006 ( -2.233 1.576 1.384) 3.063 9.257 ( 0.493 -6.897 -4.938) 8.497 9.279 ( 1.844 -5.425 -4.338) 7.187 9.340 ( -0.215 -10.397 -0.529) 10.412 9.374 ( -0.326 -9.254 -0.565) 9.277 9.838 ( -4.104 -14.075 1.332) 14.721 9.898 ( -1.903 -12.636 1.653) 12.885 11.767 ( 4.732 7.466 -0.830) 8.878 11.818 ( 7.573 10.304 -1.485) 12.873 12.053 ( -3.479 -1.720 -0.455) 3.907 12.162 ( -0.988 2.147 1.404) 2.749 12.245 ( -3.283 3.864 -2.881) 5.832 12.375 ( -3.522 9.110 -2.925) 10.196 12.606 ( 9.877 -7.044 0.511) 12.142 12.757 ( 4.079 -5.636 0.014) 6.957 12.828 ( 5.023 3.014 0.154) 5.860 13.004 ( 2.107 2.779 -0.477) 3.519 13.441 ( -9.220 -6.151 3.463) 11.611 13.536 ( -2.064 -3.486 -0.968) 4.165 13.597 ( 6.067 1.223 -1.441) 6.355 13.741 ( 4.018 -0.252 -2.374) 4.674 14.077 ( -4.456 7.621 0.349) 8.835 14.276 ( -6.924 16.080 -1.064) 17.539 14.489 ( -12.921 -3.858 7.920) 15.639 14.819 ( -8.444 6.045 -7.659) 12.903 15.060 ( -15.333 -9.844 2.213) 18.355 15.334 ( -10.124 -1.457 -1.883) 10.400 15.516 ( -3.418 2.196 1.829) 4.456 15.582 ( -1.809 5.325 -1.668) 5.866 15.850 ( 5.202 -6.212 7.674) 11.159 16.080 ( 6.594 -5.897 -8.479) 12.253 16.495 ( -0.905 2.158 0.297) 2.359 16.642 ( -4.886 8.162 -1.292) 9.600 16.954 ( 7.113 -10.024 1.050) 12.336 17.332 ( -1.115 -0.598 0.337) 1.309 17.640 ( 0.681 0.733 0.345) 1.058 17.671 ( 0.780 4.454 -0.537) 4.554 17.713 ( 1.685 -1.425 1.315) 2.568 17.849 ( 0.306 1.792 -1.221) 2.190 ======================= Grid point 102 (39/45) ======================= q-point: ( 0.38 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 4.483 6.153 2.860) 8.132 1.329 ( 2.495 6.126 0.559) 6.638 1.347 ( 1.264 5.552 5.866) 8.175 1.437 ( 1.708 2.500 -2.465) 3.904 1.559 ( 12.456 0.156 6.316) 13.966 1.643 ( 4.966 3.162 0.975) 5.968 1.712 ( 8.984 2.190 -4.798) 10.418 1.761 ( 3.725 1.978 -2.411) 4.858 1.871 ( -0.891 -0.092 -1.534) 1.776 1.897 ( 2.000 0.178 -0.768) 2.150 2.106 ( -3.921 6.452 2.362) 7.911 2.118 ( -4.952 -2.423 5.319) 7.661 2.165 ( 5.424 6.232 0.384) 8.271 2.211 ( 0.508 4.084 -3.360) 5.313 2.243 ( -1.505 1.800 2.014) 3.093 2.316 ( -2.226 -6.468 -2.674) 7.344 2.391 ( -0.453 -5.258 -1.312) 5.438 2.466 ( -5.570 2.107 -0.103) 5.956 2.507 ( -3.218 -1.666 -0.579) 3.670 2.569 ( 0.059 3.076 -3.719) 4.826 2.647 ( -3.803 -4.639 1.447) 6.171 2.654 ( 0.636 -2.320 -0.194) 2.413 2.733 ( -5.672 -1.998 -6.319) 8.723 2.848 ( 4.224 5.773 -3.280) 7.869 2.940 ( 1.947 -1.911 0.268) 2.741 2.993 ( 2.300 -0.795 -0.027) 2.434 3.095 ( 0.929 1.744 2.162) 2.929 3.131 ( -0.988 5.559 -1.456) 5.831 3.145 ( 3.157 2.392 1.170) 4.130 3.201 ( -3.040 1.834 -3.818) 5.214 3.293 ( -0.609 1.524 2.671) 3.135 3.367 ( 2.662 4.055 -1.041) 4.961 3.433 ( 9.682 5.244 4.277) 11.812 3.552 ( 3.211 -0.640 -4.621) 5.664 3.649 ( 7.503 0.547 -8.335) 11.228 3.703 ( -9.120 5.084 0.758) 10.469 3.835 ( 4.446 3.982 1.207) 6.089 3.937 ( -1.807 2.699 -1.189) 3.459 4.202 ( -0.514 -6.922 3.469) 7.760 4.268 ( -4.904 0.832 2.720) 5.669 4.320 ( -4.114 -3.476 -2.322) 5.865 4.383 ( -4.273 8.497 -1.228) 9.590 4.545 ( -0.146 4.177 3.043) 5.170 4.594 ( -1.040 2.597 0.289) 2.812 4.707 ( -6.060 -6.849 1.873) 9.335 4.813 ( -7.172 -3.850 3.682) 8.934 5.191 ( -1.034 -0.411 -0.359) 1.169 5.236 ( -0.807 0.488 -0.049) 0.944 5.302 ( -0.641 0.115 -0.638) 0.912 5.389 ( -0.104 1.198 -0.732) 1.407 5.480 ( -2.934 0.703 0.105) 3.019 5.525 ( -0.056 1.121 0.499) 1.228 5.603 ( 3.480 -1.009 -0.175) 3.628 5.618 ( 0.804 -3.206 -1.009) 3.456 5.754 ( 1.700 1.576 1.159) 2.592 5.867 ( 7.438 7.766 1.402) 10.845 6.010 ( -0.247 -29.792 -0.488) 29.797 6.053 ( 0.589 -31.513 -1.374) 31.548 6.562 ( -9.100 -16.084 -0.016) 18.480 6.938 ( -4.823 -11.377 0.392) 12.363 7.290 ( -2.983 7.858 1.016) 8.466 7.407 ( -2.049 32.167 -0.259) 32.233 7.547 ( 1.953 27.424 2.623) 27.618 7.610 ( 5.242 8.480 -0.014) 9.969 7.868 ( -5.056 3.069 6.359) 8.684 8.034 ( -11.971 6.102 0.926) 13.468 8.474 ( 2.426 0.083 0.928) 2.598 8.592 ( -0.229 4.794 -1.522) 5.035 8.931 ( -0.090 3.746 1.081) 3.900 8.985 ( -0.211 1.534 3.550) 3.873 9.272 ( 0.861 -7.755 -6.598) 10.218 9.315 ( 1.496 -5.144 -5.044) 7.358 9.344 ( 0.417 -8.467 -0.138) 8.478 9.369 ( -0.198 -8.799 -0.104) 8.802 9.765 ( -2.930 -13.650 1.217) 14.014 9.864 ( -1.338 -9.760 1.181) 9.922 11.829 ( 1.300 3.160 -1.212) 3.626 11.915 ( 1.551 2.796 -3.697) 4.888 11.990 ( -1.571 4.999 0.313) 5.250 12.132 ( -1.699 4.580 -0.349) 4.897 12.167 ( -3.407 6.494 -3.304) 8.044 12.277 ( -4.193 10.880 -1.814) 11.800 12.834 ( 4.519 -6.523 1.411) 8.060 12.870 ( 11.281 -7.163 1.002) 13.400 12.999 ( 9.658 -1.568 1.579) 9.911 13.034 ( 2.511 -1.385 -1.052) 3.055 13.250 ( -7.828 -7.763 1.325) 11.104 13.433 ( -7.076 -4.042 0.108) 8.150 13.746 ( 4.464 -0.134 0.917) 4.559 13.807 ( 5.251 -2.171 -4.558) 7.285 13.968 ( -5.824 5.382 -1.516) 8.074 14.195 ( -13.216 -3.393 0.730) 13.664 14.313 ( 9.802 12.735 1.883) 16.180 14.593 ( -10.316 9.653 -2.942) 14.431 14.767 ( -13.670 -2.563 6.108) 15.190 15.025 ( -18.738 2.882 -2.868) 19.174 15.530 ( 2.896 1.314 0.503) 3.219 15.635 ( 4.766 7.433 -0.465) 8.842 16.015 ( 8.532 -11.744 4.010) 15.059 16.233 ( 6.651 -6.995 -4.590) 10.687 16.483 ( 0.177 3.998 0.142) 4.005 16.545 ( -4.103 7.465 -0.473) 8.531 17.053 ( 2.930 -12.659 0.679) 13.011 17.234 ( -6.751 -8.546 0.628) 10.910 17.643 ( -0.217 3.347 -0.040) 3.354 17.688 ( 0.629 7.560 -0.092) 7.586 17.743 ( 1.154 -0.579 0.437) 1.363 17.839 ( -0.965 2.461 -0.475) 2.686 ======================= Grid point 103 (40/45) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -0.000 5.319 2.834) 6.026 1.317 ( 0.000 6.655 4.400) 7.978 1.406 ( 0.000 4.295 -2.319) 4.881 1.421 ( -0.000 3.657 -1.999) 4.168 1.692 ( 0.000 -0.985 2.720) 2.893 1.761 ( -0.000 3.262 2.142) 3.902 1.814 ( 0.000 0.083 0.595) 0.601 1.851 ( -0.000 -1.192 7.563) 7.657 1.869 ( 0.000 0.808 -3.651) 3.739 1.892 ( -0.000 -0.553 -0.790) 0.965 2.016 ( 0.000 1.722 4.178) 4.519 2.057 ( 0.000 0.279 -5.458) 5.465 2.177 ( 0.000 3.201 -0.878) 3.319 2.217 ( 0.000 5.483 1.706) 5.742 2.248 ( 0.000 1.425 -4.112) 4.352 2.338 ( -0.000 7.329 -2.606) 7.778 2.352 ( 0.000 1.588 1.043) 1.899 2.373 ( 0.000 0.788 0.158) 0.804 2.482 ( 0.000 -7.447 2.406) 7.826 2.542 ( 0.000 -3.478 -6.907) 7.733 2.611 ( 0.000 -6.311 -4.606) 7.814 2.657 ( 0.000 -1.304 -6.114) 6.251 2.707 ( 0.000 -2.137 -0.512) 2.198 2.885 ( 0.000 5.930 -2.707) 6.519 2.938 ( 0.000 -3.549 1.686) 3.929 3.028 ( 0.000 0.734 4.525) 4.584 3.034 ( 0.000 -0.591 -2.180) 2.259 3.128 ( 0.000 6.795 -4.269) 8.025 3.156 ( 0.000 3.496 -2.877) 4.527 3.224 ( 0.000 4.457 2.028) 4.896 3.292 ( 0.000 1.463 1.837) 2.349 3.476 ( 0.000 -4.348 0.427) 4.369 3.487 ( -0.000 15.949 2.147) 16.093 3.570 ( 0.000 0.082 -2.286) 2.287 3.637 ( 0.000 -1.223 2.665) 2.932 3.826 ( -0.000 6.736 1.577) 6.918 3.860 ( 0.000 0.899 -2.572) 2.724 3.915 ( 0.000 3.811 -0.521) 3.846 4.192 ( -0.000 2.248 2.370) 3.267 4.198 ( 0.000 -7.840 1.227) 7.935 4.236 ( 0.000 -7.167 -1.501) 7.322 4.337 ( 0.000 10.442 -2.670) 10.778 4.560 ( 0.000 1.111 2.656) 2.879 4.561 ( -0.000 1.711 4.808) 5.103 4.646 ( -0.000 -1.576 -2.163) 2.676 4.714 ( 0.000 -1.418 2.450) 2.830 5.179 ( 0.000 -0.326 -0.637) 0.716 5.230 ( 0.000 1.844 0.208) 1.856 5.294 ( 0.000 -0.137 -0.831) 0.842 5.394 ( 0.000 3.658 -1.268) 3.872 5.439 ( 0.000 -0.672 -0.537) 0.861 5.524 ( 0.000 1.776 0.789) 1.943 5.622 ( 0.000 -4.416 -0.559) 4.452 5.649 ( 0.000 -1.202 0.708) 1.395 5.772 ( 0.000 1.646 1.500) 2.226 5.957 ( 0.000 8.419 3.315) 9.048 6.010 ( 0.000 -26.645 -1.398) 26.681 6.058 ( 0.000 -33.158 -1.000) 33.173 6.454 ( 0.000 -19.939 -3.410) 20.228 6.887 ( 0.000 -12.346 1.145) 12.399 7.258 ( 0.000 8.600 -0.975) 8.655 7.383 ( 0.000 31.627 0.542) 31.632 7.565 ( 0.000 30.714 1.653) 30.759 7.721 ( 0.000 13.618 5.879) 14.833 7.823 ( 0.000 -2.301 2.227) 3.203 7.851 ( 0.000 2.679 1.262) 2.961 8.502 ( 0.000 -0.057 -0.391) 0.396 8.587 ( 0.000 4.873 -0.205) 4.878 8.930 ( 0.000 3.964 1.074) 4.107 8.985 ( 0.000 1.007 4.160) 4.280 9.283 ( 0.000 -8.285 -7.692) 11.305 9.331 ( 0.000 -5.033 -5.262) 7.282 9.350 ( 0.000 -7.152 0.076) 7.153 9.367 ( 0.000 -8.624 0.383) 8.632 9.733 ( 0.000 -14.015 0.993) 14.050 9.849 ( 0.000 -8.712 1.039) 8.774 11.837 ( 0.000 1.206 -1.651) 2.045 11.917 ( 0.000 -3.430 -5.575) 6.545 11.984 ( 0.000 9.845 0.220) 9.848 12.103 ( 0.000 6.159 -0.573) 6.186 12.134 ( 0.000 6.129 -3.655) 7.136 12.236 ( 0.000 13.893 -0.178) 13.894 12.872 ( 0.000 -6.169 0.510) 6.190 13.008 ( 0.000 -4.956 0.853) 5.029 13.058 ( 0.000 -6.562 2.046) 6.874 13.141 ( 0.000 -6.760 2.567) 7.231 13.199 ( 0.000 -5.163 -0.253) 5.169 13.306 ( 0.000 -5.025 1.392) 5.214 13.777 ( 0.000 1.717 0.221) 1.731 13.894 ( 0.000 4.154 -1.194) 4.323 13.905 ( 0.000 -4.234 -4.833) 6.425 14.028 ( -0.000 -3.131 -4.072) 5.136 14.507 ( -0.000 6.465 3.334) 7.275 14.546 ( 0.000 9.731 7.298) 12.164 14.627 ( 0.000 3.021 -1.549) 3.395 14.657 ( -0.000 8.663 -2.896) 9.134 15.570 ( 0.000 0.675 -0.515) 0.848 15.697 ( 0.000 8.282 0.674) 8.310 16.109 ( 0.000 -14.213 -0.623) 14.227 16.295 ( -0.000 -3.127 0.940) 3.265 16.498 ( 0.000 5.818 -0.010) 5.818 16.504 ( 0.000 2.831 0.231) 2.841 17.084 ( 0.000 -13.221 -0.182) 13.222 17.144 ( 0.000 -11.170 0.298) 11.174 17.639 ( 0.000 5.065 -0.372) 5.079 17.694 ( 0.000 7.857 0.176) 7.859 17.756 ( 0.000 -0.399 -0.437) 0.591 17.826 ( 0.000 2.402 0.256) 2.415 ======================= Grid point 108 (41/45) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 0.000 6.054 8.020) 10.049 1.089 ( 0.000 -0.049 2.282) 2.283 1.404 ( 0.000 5.490 3.917) 6.744 1.463 ( 0.000 0.947 8.949) 8.999 1.515 ( 0.000 7.250 2.681) 7.730 1.535 ( 0.000 6.325 5.468) 8.361 1.625 ( 0.000 -2.314 -0.472) 2.362 1.636 ( 0.000 -4.839 9.386) 10.560 1.790 ( 0.000 4.212 -0.219) 4.217 1.852 ( 0.000 -2.391 -0.122) 2.394 1.871 ( 0.000 7.006 -8.620) 11.108 1.981 ( 0.000 -5.237 -4.878) 7.157 2.188 ( 0.000 7.454 7.751) 10.753 2.246 ( 0.000 -2.483 -0.190) 2.490 2.287 ( 0.000 8.944 9.527) 13.068 2.373 ( 0.000 5.379 -5.222) 7.497 2.382 ( 0.000 6.348 -1.676) 6.565 2.451 ( 0.000 -2.741 -2.554) 3.747 2.565 ( 0.000 0.918 -6.691) 6.754 2.662 ( 0.000 -5.698 -13.600) 14.745 2.719 ( 0.000 5.277 8.432) 9.947 2.720 ( 0.000 3.915 4.044) 5.628 2.758 ( 0.000 -2.628 -0.458) 2.668 2.766 ( 0.000 -6.725 -5.358) 8.599 2.844 ( 0.000 4.109 -4.898) 6.393 2.921 ( 0.000 0.061 -6.018) 6.018 2.973 ( 0.000 -0.773 0.289) 0.826 3.045 ( 0.000 -3.934 -5.667) 6.899 3.175 ( 0.000 -3.497 -0.059) 3.498 3.195 ( 0.000 -5.158 0.052) 5.158 3.348 ( 0.000 0.692 -3.477) 3.545 3.387 ( 0.000 -4.020 -7.301) 8.335 3.597 ( 0.000 15.803 -0.721) 15.819 3.600 ( 0.000 14.681 -0.969) 14.713 3.873 ( 0.000 9.573 2.318) 9.850 3.897 ( 0.000 5.417 0.468) 5.437 4.045 ( 0.000 0.490 3.160) 3.198 4.109 ( 0.000 -2.818 -2.450) 3.734 4.209 ( 0.000 -16.203 1.367) 16.260 4.219 ( 0.000 -12.069 0.871) 12.100 4.364 ( 0.000 -1.572 4.272) 4.552 4.397 ( 0.000 -4.447 0.793) 4.517 4.648 ( 0.000 -0.716 4.513) 4.569 4.658 ( 0.000 -3.234 4.376) 5.441 4.829 ( 0.000 4.006 2.023) 4.488 4.867 ( 0.000 7.435 -2.506) 7.846 5.116 ( 0.000 -15.929 1.843) 16.035 5.158 ( 0.000 -13.487 -1.944) 13.626 5.338 ( 0.000 -0.848 1.076) 1.370 5.365 ( 0.000 -5.021 -0.888) 5.099 5.398 ( 0.000 0.253 -0.628) 0.677 5.400 ( 0.000 -0.686 -0.176) 0.708 5.562 ( 0.000 5.760 -1.169) 5.877 5.577 ( 0.000 5.015 -2.416) 5.567 5.642 ( 0.000 -2.020 -0.993) 2.251 5.651 ( 0.000 -3.705 -2.388) 4.408 5.683 ( 0.000 -0.403 0.498) 0.641 5.688 ( 0.000 -1.569 0.261) 1.591 6.885 ( 0.000 -1.238 11.297) 11.365 7.013 ( 0.000 -13.612 -1.466) 13.691 7.476 ( 0.000 2.414 8.011) 8.367 7.517 ( 0.000 -2.065 3.921) 4.432 8.044 ( 0.000 22.239 -0.211) 22.240 8.046 ( 0.000 21.951 -0.162) 21.951 8.340 ( 0.000 2.476 1.216) 2.758 8.353 ( 0.000 1.797 0.021) 1.797 8.697 ( 0.000 7.459 8.327) 11.179 8.802 ( 0.000 -1.230 1.946) 2.303 9.031 ( 0.000 2.192 0.232) 2.204 9.087 ( 0.000 -0.791 -0.483) 0.927 9.089 ( 0.000 -7.740 -3.915) 8.673 9.134 ( 0.000 -3.310 -2.611) 4.216 9.168 ( 0.000 -5.829 -0.657) 5.866 9.183 ( 0.000 -6.895 -2.083) 7.203 9.601 ( 0.000 -9.445 2.031) 9.661 9.674 ( 0.000 -13.981 -5.357) 14.973 11.765 ( 0.000 9.970 1.856) 10.141 11.810 ( 0.000 6.543 -2.611) 7.045 11.943 ( 0.000 -5.530 -0.244) 5.536 11.948 ( 0.000 -7.228 -0.628) 7.255 12.329 ( 0.000 1.636 2.769) 3.216 12.344 ( 0.000 0.423 1.373) 1.436 12.736 ( 0.000 2.507 -1.745) 3.054 12.759 ( 0.000 0.145 -4.098) 4.100 12.985 ( 0.000 7.743 3.006) 8.306 13.043 ( 0.000 2.409 -2.406) 3.405 13.481 ( 0.000 0.528 0.904) 1.047 13.492 ( 0.000 -0.300 0.985) 1.030 13.558 ( 0.000 2.090 -1.107) 2.365 13.612 ( 0.000 -2.917 -5.045) 5.828 14.424 ( 0.000 3.517 1.576) 3.854 14.444 ( 0.000 0.518 0.514) 0.729 14.967 ( 0.000 14.079 2.717) 14.339 15.054 ( 0.000 12.079 -5.309) 13.194 15.247 ( 0.000 -14.341 2.986) 14.649 15.283 ( 0.000 -9.995 -0.682) 10.018 15.701 ( 0.000 0.100 2.827) 2.829 15.773 ( 0.000 -7.467 -3.916) 8.432 15.955 ( 0.000 -0.161 2.067) 2.073 15.976 ( 0.000 -2.370 -0.084) 2.371 16.559 ( 0.000 1.441 1.004) 1.757 16.572 ( 0.000 0.158 -0.201) 0.256 17.178 ( 0.000 8.856 -2.728) 9.267 17.211 ( 0.000 6.710 -6.765) 9.528 17.584 ( 0.000 -0.187 0.584) 0.613 17.593 ( 0.000 -1.042 -0.252) 1.072 17.700 ( 0.000 -1.090 0.065) 1.092 17.730 ( 0.000 -3.411 -2.864) 4.454 ======================= Grid point 109 (42/45) ======================= q-point: ( 0.12 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 5.738 4.935 9.187) 11.903 1.131 ( 3.869 0.604 2.944) 4.899 1.333 ( -1.419 4.670 -4.537) 6.663 1.418 ( -1.131 -2.198 3.441) 4.237 1.521 ( -1.133 7.341 4.825) 8.858 1.608 ( 0.152 1.533 -1.243) 1.980 1.631 ( 4.007 8.957 6.347) 11.686 1.759 ( 7.435 -3.023 9.226) 12.229 1.830 ( 1.616 2.987 3.430) 4.826 1.877 ( 2.790 -2.112 -2.688) 4.412 1.902 ( 4.137 1.949 -3.825) 5.962 1.991 ( 0.581 -6.358 -3.553) 7.306 2.105 ( -2.452 4.248 4.481) 6.643 2.172 ( -1.981 -3.537 0.318) 4.066 2.345 ( -1.243 7.346 -5.128) 9.044 2.389 ( 1.311 6.164 0.923) 6.369 2.417 ( 1.979 4.698 7.233) 8.849 2.487 ( -1.571 -3.378 -1.460) 4.001 2.590 ( 1.461 1.751 -6.678) 7.057 2.633 ( -0.360 5.065 4.339) 6.680 2.655 ( -2.950 -3.773 -4.561) 6.614 2.706 ( 2.541 3.058 -1.694) 4.321 2.775 ( 1.842 -3.973 0.725) 4.438 2.811 ( 1.659 -7.742 1.002) 7.981 2.875 ( 0.978 5.156 -5.968) 7.947 2.947 ( -1.662 -2.618 -4.890) 5.790 3.015 ( 6.835 4.293 -3.882) 8.956 3.066 ( 1.663 -0.009 -6.040) 6.265 3.148 ( -0.757 -3.316 -2.715) 4.352 3.194 ( 0.172 -5.253 -2.637) 5.880 3.329 ( -1.950 1.684 -1.679) 3.075 3.350 ( -1.352 -0.201 -3.221) 3.499 3.578 ( -1.776 14.220 0.248) 14.333 3.610 ( -0.573 14.111 -2.478) 14.338 3.875 ( -2.215 0.593 2.166) 3.155 3.898 ( -1.852 8.792 1.450) 9.101 3.977 ( -3.168 4.408 -0.538) 5.455 4.061 ( -4.072 -2.887 -0.301) 5.001 4.111 ( -4.807 -12.726 0.677) 13.620 4.207 ( -2.337 -13.313 0.300) 13.520 4.396 ( 1.675 -0.287 4.090) 4.429 4.435 ( 2.937 -2.898 1.275) 4.319 4.657 ( 0.899 -1.752 4.310) 4.738 4.671 ( 0.883 -4.596 3.841) 6.055 4.799 ( -2.355 7.627 -0.180) 7.984 4.878 ( 0.225 5.730 -0.062) 5.735 5.099 ( -1.314 -16.016 1.383) 16.129 5.151 ( -0.747 -13.402 -1.376) 13.493 5.327 ( -0.634 -1.239 0.551) 1.497 5.351 ( -0.982 -4.061 -0.667) 4.231 5.401 ( 0.650 -0.914 0.303) 1.162 5.415 ( 0.842 -3.006 -0.194) 3.127 5.586 ( 2.008 5.677 -0.738) 6.067 5.608 ( 2.222 5.366 -2.333) 6.259 5.665 ( 2.918 -0.076 -2.349) 3.747 5.681 ( 1.552 -1.960 -1.324) 2.829 5.701 ( 1.137 -1.635 0.699) 2.111 5.709 ( 2.114 -4.103 -0.497) 4.642 6.810 ( -7.088 -0.906 9.399) 11.807 6.946 ( -6.273 -13.809 -0.519) 15.176 7.468 ( -0.761 2.518 7.148) 7.617 7.510 ( -0.405 -1.868 3.527) 4.012 8.045 ( 0.466 22.793 -0.091) 22.798 8.062 ( 0.741 24.243 0.578) 24.261 8.314 ( -4.424 4.990 1.506) 6.837 8.347 ( 0.853 -1.384 -0.091) 1.629 8.627 ( -7.292 2.837 5.944) 9.825 8.701 ( -7.228 -2.734 0.328) 7.735 9.025 ( -0.935 2.905 1.827) 3.557 9.080 ( -0.565 2.259 -3.727) 4.395 9.105 ( 0.454 -7.019 -1.289) 7.151 9.132 ( 0.509 -4.115 -2.731) 4.965 9.164 ( 0.206 -5.552 -0.419) 5.572 9.185 ( 0.576 -6.178 -2.404) 6.654 9.602 ( -0.250 -10.059 1.860) 10.232 9.654 ( -1.555 -13.092 -2.595) 13.437 11.845 ( 5.887 10.053 0.352) 11.655 11.863 ( 4.190 7.682 -1.494) 8.877 11.994 ( 3.460 -5.845 -0.088) 6.793 12.020 ( 7.694 -7.390 -1.261) 10.742 12.322 ( 0.221 2.203 1.359) 2.598 12.350 ( 1.244 -0.531 2.010) 2.423 12.679 ( -5.096 3.848 -2.221) 6.761 12.719 ( -3.025 -0.287 -2.588) 3.991 12.933 ( -3.972 6.859 0.870) 7.974 13.023 ( -2.080 -1.136 -0.223) 2.381 13.485 ( 0.739 3.380 -1.077) 3.623 13.538 ( -1.758 -0.677 -1.051) 2.157 13.592 ( 5.092 -1.081 -0.262) 5.212 13.606 ( 0.598 -1.957 -1.458) 2.513 14.347 ( -3.775 9.824 1.478) 10.627 14.504 ( 0.167 -5.568 2.835) 6.250 14.809 ( -11.651 14.320 -0.353) 18.464 15.053 ( -4.119 4.266 -0.389) 5.942 15.097 ( -8.603 -6.783 -3.077) 11.380 15.293 ( -1.440 -10.794 0.164) 10.891 15.631 ( -5.055 -0.015 1.932) 5.411 15.670 ( -8.026 -4.626 -1.061) 9.325 15.914 ( -5.155 1.881 0.594) 5.520 15.954 ( -1.237 -2.193 -1.272) 2.820 16.549 ( 0.054 2.485 -0.055) 2.486 16.602 ( 4.160 -2.982 -0.358) 5.131 17.071 ( -5.855 13.689 -2.048) 15.029 17.276 ( -0.435 -5.995 -2.259) 6.421 17.613 ( 2.451 0.465 0.497) 2.543 17.631 ( 3.113 -1.215 0.424) 3.369 17.716 ( 2.996 3.820 -1.453) 5.067 17.792 ( 3.963 -3.141 -1.765) 5.356 ======================= Grid point 110 (43/45) ======================= q-point: ( 0.25 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 6.606 4.042 3.765) 8.612 1.270 ( 10.160 0.320 4.495) 11.114 1.378 ( 4.303 3.251 -2.869) 6.109 1.452 ( 3.688 -3.188 0.587) 4.910 1.509 ( 0.857 9.569 3.967) 10.394 1.616 ( 1.354 -0.246 -0.433) 1.443 1.672 ( 1.226 12.067 -1.243) 12.192 1.817 ( 1.332 -1.365 -0.098) 1.910 1.846 ( -0.427 -0.879 2.958) 3.115 1.899 ( -3.040 -0.798 -2.173) 3.821 2.023 ( 8.145 -0.497 5.243) 9.699 2.051 ( 3.445 -6.153 0.168) 7.054 2.129 ( 3.241 -0.217 3.469) 4.753 2.185 ( 1.547 -4.287 0.462) 4.581 2.282 ( -4.792 4.420 0.235) 6.524 2.354 ( -4.668 -1.594 -1.578) 5.179 2.392 ( -1.691 3.067 3.534) 4.975 2.448 ( -1.331 -3.794 -0.385) 4.039 2.556 ( -3.791 1.205 -5.193) 6.542 2.616 ( -1.051 -4.900 -8.110) 9.533 2.717 ( -0.921 4.625 1.298) 4.891 2.751 ( 5.403 3.539 4.061) 7.630 2.794 ( 0.672 -0.657 5.543) 5.622 2.823 ( 1.488 1.223 -1.055) 2.196 2.893 ( 1.224 4.993 -4.295) 6.700 2.971 ( 2.206 -3.477 -7.690) 8.723 3.074 ( 0.686 3.139 -1.998) 3.783 3.124 ( 0.199 -2.574 0.995) 2.767 3.206 ( 9.381 4.549 -7.643) 12.926 3.259 ( 6.070 0.322 -6.743) 9.078 3.307 ( 0.017 1.692 -0.140) 1.698 3.351 ( 0.483 -2.496 -0.917) 2.703 3.496 ( -5.045 8.927 -1.371) 10.345 3.577 ( -1.885 14.010 -0.458) 14.144 3.713 ( -8.450 3.472 -1.133) 9.205 3.898 ( 0.984 9.125 1.710) 9.336 3.960 ( -5.528 -0.966 1.908) 5.928 3.966 ( -0.099 1.338 -0.534) 1.444 4.046 ( -2.427 -11.683 0.894) 11.966 4.166 ( -1.620 -12.487 -1.549) 12.687 4.409 ( -0.309 3.837 3.093) 4.938 4.492 ( 2.422 -2.584 2.188) 4.163 4.646 ( -2.796 -2.490 3.386) 5.049 4.700 ( 1.975 -0.811 3.334) 3.959 4.755 ( -1.868 9.112 0.176) 9.303 4.850 ( -3.123 7.921 0.857) 8.558 5.080 ( -0.320 -17.304 1.611) 17.382 5.134 ( -0.671 -12.794 -1.874) 12.948 5.323 ( -0.073 -1.282 0.377) 1.338 5.338 ( 0.209 -3.294 -1.164) 3.500 5.408 ( -0.251 -3.534 1.356) 3.793 5.438 ( 1.392 -4.815 -0.180) 5.016 5.611 ( 0.030 3.337 -0.973) 3.476 5.642 ( -0.269 2.844 -1.513) 3.233 5.688 ( -0.120 0.289 0.553) 0.635 5.711 ( 1.687 0.637 0.175) 1.811 5.733 ( 1.593 -3.899 -2.392) 4.843 5.793 ( 6.375 -1.538 -2.500) 7.018 6.622 ( -10.977 0.077 5.526) 12.290 6.786 ( -8.865 -14.954 1.071) 17.417 7.455 ( -0.203 4.303 4.934) 6.550 7.518 ( 1.625 -2.114 2.714) 3.805 8.037 ( -2.013 23.064 2.835) 23.324 8.077 ( 0.710 25.800 -1.120) 25.834 8.163 ( -9.493 7.113 3.147) 12.273 8.378 ( -0.571 -7.070 -1.247) 7.202 8.404 ( -9.715 5.108 2.282) 11.210 8.618 ( -1.738 -8.505 -0.397) 8.689 8.981 ( -2.826 0.389 1.044) 3.038 9.078 ( 0.071 5.360 -2.323) 5.842 9.099 ( -0.517 -4.048 -2.199) 4.635 9.162 ( 1.903 -5.376 -1.344) 5.859 9.177 ( 1.178 -6.888 -1.543) 7.157 9.221 ( 2.900 -2.288 -1.387) 3.946 9.570 ( -3.004 -9.553 0.667) 10.036 9.633 ( -0.524 -12.817 1.393) 12.903 11.893 ( 0.535 5.191 -1.483) 5.425 11.950 ( -0.265 0.593 -2.617) 2.696 12.063 ( 4.310 4.476 -0.152) 6.216 12.155 ( 3.263 -3.276 -0.055) 4.625 12.362 ( 3.197 6.910 -0.397) 7.624 12.468 ( 11.031 -4.191 1.021) 11.844 12.575 ( -4.053 7.124 -1.247) 8.291 12.677 ( -0.130 -3.506 -0.725) 3.583 12.878 ( -0.291 3.269 0.523) 3.323 12.972 ( -2.403 -5.310 0.450) 5.846 13.392 ( -9.584 1.531 0.425) 9.715 13.460 ( -6.210 -4.428 -0.209) 7.630 13.651 ( 5.333 3.720 -2.124) 6.841 13.714 ( 4.762 -2.517 -2.227) 5.829 14.243 ( -7.579 8.724 0.670) 11.575 14.388 ( -11.812 -6.371 3.176) 13.791 14.587 ( -7.686 15.334 0.406) 17.157 14.850 ( -11.058 -12.205 0.885) 16.493 14.995 ( -5.367 11.922 -3.368) 13.501 15.226 ( -6.159 -10.211 -1.486) 12.017 15.552 ( -1.575 1.895 1.830) 3.069 15.604 ( 2.862 -3.357 1.744) 4.743 15.824 ( -1.910 5.026 -0.315) 5.386 15.950 ( 2.284 -7.164 -3.671) 8.367 16.574 ( 1.727 5.847 -0.208) 6.100 16.697 ( 3.804 -5.604 -0.347) 6.782 16.944 ( -6.546 11.023 0.105) 12.821 17.187 ( -7.318 -12.076 0.136) 14.121 17.663 ( 2.298 1.548 0.441) 2.805 17.691 ( 2.612 -1.207 0.670) 2.954 17.785 ( 2.664 5.499 -0.966) 6.186 17.853 ( 1.690 -1.591 -0.969) 2.516 ======================= Grid point 111 (44/45) ======================= q-point: ( 0.38 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 6.808 6.582 -0.079) 9.469 1.437 ( 2.194 2.781 0.972) 3.673 1.470 ( 5.131 1.218 1.471) 5.475 1.516 ( 2.654 3.671 1.016) 4.643 1.567 ( 5.384 5.023 4.226) 8.490 1.690 ( 6.304 0.961 2.101) 6.714 1.758 ( 6.968 2.925 -3.429) 8.299 1.801 ( -1.276 -4.028 -1.173) 4.385 1.846 ( -0.863 1.607 -0.548) 1.905 1.868 ( -0.200 -2.203 -1.557) 2.705 2.044 ( -3.555 -1.391 6.109) 7.204 2.106 ( -1.518 -5.437 0.046) 5.645 2.165 ( -0.944 -1.989 2.948) 3.680 2.210 ( 1.923 -1.271 -1.698) 2.863 2.229 ( 0.506 0.585 1.011) 1.273 2.283 ( -0.406 -2.554 -0.074) 2.588 2.357 ( -1.165 1.118 0.817) 1.809 2.415 ( -2.119 -4.543 -0.233) 5.018 2.482 ( -3.897 0.673 -7.425) 8.413 2.534 ( -5.399 -4.807 -9.483) 11.924 2.702 ( -1.211 4.611 4.998) 6.907 2.747 ( -3.520 0.379 3.831) 5.216 2.803 ( 0.087 9.541 -3.217) 10.069 2.897 ( 1.463 -2.001 -2.036) 3.208 2.938 ( 1.604 3.193 -6.179) 7.138 2.979 ( 2.912 -0.587 -4.793) 5.639 3.131 ( 3.255 2.414 2.506) 4.764 3.184 ( 3.229 -2.051 0.587) 3.870 3.260 ( -0.788 6.135 0.081) 6.186 3.265 ( -2.058 3.636 -1.331) 4.385 3.396 ( 3.066 8.045 1.259) 8.701 3.431 ( 6.119 6.152 -2.016) 8.908 3.492 ( 4.141 0.583 2.006) 4.638 3.596 ( -3.403 7.874 -2.365) 8.898 3.617 ( 8.126 -2.485 -5.540) 10.144 3.845 ( -4.368 3.709 2.033) 6.080 3.932 ( 1.833 3.867 1.775) 4.633 3.955 ( -2.438 0.179 0.753) 2.558 3.995 ( -1.912 -11.971 -0.147) 12.124 4.113 ( -4.487 -11.660 -1.593) 12.595 4.383 ( -2.147 7.271 2.114) 7.870 4.524 ( 0.266 -5.042 2.796) 5.771 4.575 ( -2.732 4.946 2.589) 6.215 4.696 ( -4.115 -2.250 4.035) 6.187 4.715 ( -1.082 10.875 0.770) 10.956 4.794 ( -1.067 15.138 -0.170) 15.177 5.088 ( 0.944 -16.240 1.904) 16.378 5.130 ( 0.098 -14.870 -1.877) 14.989 5.317 ( -0.303 0.877 -0.453) 1.033 5.364 ( 1.764 -2.500 -0.717) 3.142 5.404 ( 0.241 -5.360 0.386) 5.380 5.448 ( -0.651 -5.865 -0.293) 5.908 5.580 ( -3.064 -1.702 -0.620) 3.559 5.598 ( -1.954 -5.385 -1.754) 5.991 5.699 ( 0.666 3.679 1.871) 4.180 5.755 ( 2.072 6.800 -3.614) 7.975 5.762 ( 1.499 -1.922 0.737) 2.547 5.942 ( 8.240 -5.365 -2.830) 10.232 6.390 ( -11.430 2.782 2.360) 11.998 6.621 ( -6.688 -17.334 1.849) 18.671 7.468 ( 1.463 8.783 2.117) 9.152 7.588 ( 5.471 -3.145 2.474) 6.778 7.942 ( -7.152 6.960 4.752) 11.053 7.954 ( -9.327 9.247 3.633) 13.627 8.108 ( 0.944 24.501 0.092) 24.519 8.199 ( -5.796 18.599 -0.609) 19.491 8.429 ( 1.795 -7.562 -1.075) 7.846 8.601 ( -0.291 -11.403 -0.484) 11.417 8.931 ( -1.879 -0.083 0.062) 1.882 9.074 ( -0.345 -7.705 -3.193) 8.348 9.094 ( -0.081 8.711 -0.980) 8.766 9.195 ( 1.218 -5.299 -0.545) 5.465 9.205 ( 1.342 -5.350 -2.522) 6.064 9.296 ( 4.356 -0.508 -0.030) 4.386 9.493 ( -4.351 -8.677 0.982) 9.756 9.623 ( -0.493 -13.648 1.475) 13.737 11.876 ( -1.636 1.773 -2.969) 3.826 11.903 ( -2.541 -1.211 -4.353) 5.183 12.111 ( 0.154 4.834 -1.088) 4.958 12.173 ( -0.727 -1.199 -0.883) 1.657 12.408 ( 1.057 17.047 -0.617) 17.090 12.534 ( 0.550 13.093 0.285) 13.107 12.700 ( 8.557 -10.827 1.605) 13.894 12.721 ( 3.591 -6.909 0.888) 7.837 12.944 ( 4.530 -3.022 1.198) 5.576 12.952 ( 2.952 -4.371 0.185) 5.278 13.184 ( -9.471 1.862 0.909) 9.695 13.298 ( -9.115 -8.503 0.869) 12.495 13.769 ( 5.359 2.018 -1.963) 6.053 13.797 ( 4.001 -0.472 -3.256) 5.180 14.055 ( -9.260 3.352 -2.120) 10.074 14.113 ( -12.301 -3.437 -1.123) 12.821 14.552 ( 3.480 9.872 2.061) 10.668 14.675 ( -5.754 -3.177 2.369) 6.986 14.849 ( -8.379 11.372 0.526) 14.136 15.018 ( -13.282 -4.583 -0.678) 14.067 15.581 ( 3.176 4.617 -0.033) 5.604 15.727 ( 7.256 -8.161 0.119) 10.921 15.855 ( 3.629 6.947 0.246) 7.842 16.056 ( 6.917 -10.891 -1.042) 12.944 16.601 ( 0.965 8.144 -0.117) 8.202 16.715 ( -2.549 5.809 -0.343) 6.353 16.840 ( -2.441 -5.019 0.490) 5.603 17.015 ( -8.759 -13.121 0.517) 15.784 17.702 ( 1.479 2.475 -0.111) 2.885 17.733 ( 1.557 -0.870 0.003) 1.783 17.813 ( 0.360 4.759 -0.104) 4.774 17.862 ( -0.484 -0.471 -0.163) 0.695 ======================= Grid point 112 (45/45) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 0.000 4.960 2.653) 5.625 1.469 ( 0.000 10.951 0.310) 10.956 1.481 ( -0.000 1.202 -1.072) 1.611 1.544 ( 0.000 8.325 -0.097) 8.326 1.666 ( 0.000 -2.353 2.116) 3.165 1.772 ( 0.000 -9.439 1.900) 9.628 1.820 ( 0.000 2.760 -0.215) 2.769 1.824 ( 0.000 0.107 -0.559) 0.570 1.852 ( -0.000 -0.141 -0.375) 0.401 1.909 ( 0.000 -8.583 -1.518) 8.716 1.917 ( -0.000 6.090 3.790) 7.173 2.073 ( 0.000 -4.052 5.217) 6.606 2.138 ( 0.000 -0.664 -1.352) 1.506 2.227 ( 0.000 4.385 1.608) 4.670 2.270 ( 0.000 -9.152 -4.817) 10.342 2.302 ( -0.000 -2.092 -0.838) 2.254 2.362 ( 0.000 -0.058 -0.709) 0.712 2.390 ( -0.000 2.829 -3.103) 4.199 2.397 ( 0.000 -2.856 -1.064) 3.048 2.464 ( 0.000 -4.352 -5.395) 6.932 2.674 ( 0.000 2.457 -2.932) 3.825 2.699 ( 0.000 2.150 -4.272) 4.783 2.813 ( 0.000 7.673 -1.496) 7.817 2.888 ( 0.000 -2.042 0.959) 2.256 2.983 ( 0.000 3.835 -2.088) 4.366 3.018 ( 0.000 -0.466 -2.135) 2.185 3.119 ( 0.000 5.914 1.441) 6.087 3.184 ( 0.000 -0.748 -2.326) 2.444 3.278 ( 0.000 6.782 -1.818) 7.022 3.356 ( 0.000 10.873 3.665) 11.474 3.369 ( -0.000 -0.506 2.480) 2.532 3.467 ( 0.000 16.282 -1.326) 16.336 3.521 ( 0.000 -2.945 2.296) 3.734 3.627 ( 0.000 0.986 -2.240) 2.448 3.749 ( 0.000 -6.123 -1.264) 6.252 3.841 ( 0.000 7.890 -1.869) 8.108 3.873 ( 0.000 -11.755 4.652) 12.643 3.964 ( 0.000 1.008 -1.732) 2.004 3.984 ( 0.000 -5.353 -2.443) 5.884 4.013 ( -0.000 -9.181 2.104) 9.419 4.350 ( 0.000 9.293 1.748) 9.456 4.510 ( 0.000 -6.629 2.153) 6.970 4.560 ( 0.000 5.910 3.190) 6.716 4.643 ( 0.000 -1.721 3.984) 4.340 4.696 ( 0.000 15.913 -0.897) 15.938 4.788 ( 0.000 15.763 0.681) 15.778 5.102 ( -0.000 -11.338 0.045) 11.338 5.131 ( 0.000 -20.089 0.646) 20.099 5.313 ( 0.000 2.621 -0.614) 2.692 5.391 ( 0.000 -1.649 1.422) 2.177 5.411 ( -0.000 -5.630 -1.202) 5.757 5.431 ( 0.000 -6.010 -2.482) 6.503 5.541 ( 0.000 -3.791 0.075) 3.792 5.575 ( 0.000 -8.519 -3.098) 9.064 5.707 ( 0.000 3.572 2.922) 4.615 5.773 ( 0.000 -0.061 -0.331) 0.337 5.787 ( 0.000 8.147 -2.139) 8.423 6.082 ( 0.000 -18.493 -4.003) 18.921 6.216 ( -0.000 15.297 2.420) 15.488 6.547 ( 0.000 -19.040 1.901) 19.135 7.491 ( 0.000 12.870 0.140) 12.871 7.706 ( 0.000 -8.936 2.193) 9.202 7.791 ( -0.000 8.819 5.160) 10.218 7.854 ( 0.000 0.727 5.590) 5.637 8.121 ( 0.000 24.629 -0.409) 24.632 8.148 ( 0.000 27.925 -0.486) 27.930 8.448 ( 0.000 -8.539 -1.190) 8.622 8.599 ( 0.000 -11.944 -0.485) 11.953 8.911 ( 0.000 -0.204 -0.037) 0.207 9.070 ( 0.000 -12.067 -4.818) 12.993 9.093 ( 0.000 12.415 0.264) 12.418 9.208 ( 0.000 -4.678 -0.161) 4.680 9.221 ( 0.000 -4.927 -2.619) 5.580 9.374 ( 0.000 9.476 0.528) 9.491 9.415 ( 0.000 -17.783 0.930) 17.807 9.617 ( 0.000 -14.118 1.199) 14.169 11.855 ( 0.000 0.906 -3.785) 3.892 11.876 ( 0.000 -1.373 -5.748) 5.910 12.104 ( 0.000 4.303 -0.929) 4.402 12.158 ( 0.000 -0.736 -1.123) 1.342 12.416 ( 0.000 19.869 -0.590) 19.878 12.553 ( 0.000 16.381 1.487) 16.449 12.762 ( 0.000 -6.220 1.591) 6.420 12.780 ( 0.000 -16.959 0.623) 16.971 12.989 ( 0.000 0.824 1.246) 1.494 13.062 ( 0.000 -1.100 1.277) 1.685 13.098 ( 0.000 -4.412 1.246) 4.584 13.128 ( 0.000 -11.709 1.184) 11.769 13.825 ( 0.000 2.623 -0.999) 2.807 13.864 ( 0.000 -1.411 -4.361) 4.584 13.942 ( 0.000 1.592 -1.415) 2.130 13.975 ( 0.000 -2.138 -3.628) 4.212 14.619 ( 0.000 4.551 1.400) 4.761 14.663 ( 0.000 0.069 -0.543) 0.547 14.738 ( 0.000 8.938 3.552) 9.618 14.802 ( -0.000 3.341 1.323) 3.593 15.623 ( 0.000 5.666 -1.285) 5.810 15.816 ( 0.000 -14.380 -1.527) 14.460 15.901 ( 0.000 12.621 1.429) 12.702 16.145 ( 0.000 -11.715 1.687) 11.836 16.616 ( 0.000 8.898 -0.190) 8.900 16.665 ( 0.000 11.138 0.181) 11.139 16.827 ( 0.000 -12.827 -0.346) 12.832 16.903 ( 0.000 -13.225 0.300) 13.229 17.718 ( 0.000 2.908 -0.599) 2.969 17.750 ( 0.000 -0.646 -0.631) 0.903 17.813 ( 0.000 4.227 0.338) 4.240 17.852 ( 0.000 -0.043 0.378) 0.380 =================== 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 3/21600 10.0 230.412 211.934 248.197 0.000 0.000 -0.000 3/21600 20.0 39.269 35.868 37.121 0.000 0.000 -0.000 3/21600 30.0 17.450 16.849 15.933 0.000 0.000 -0.000 3/21600 40.0 10.766 11.000 9.787 0.000 0.000 -0.000 3/21600 50.0 7.735 8.415 7.046 0.000 0.000 -0.000 3/21600 60.0 6.043 7.043 5.519 0.000 0.000 -0.000 3/21600 70.0 4.971 6.208 4.548 0.000 0.000 -0.000 3/21600 80.0 4.232 5.635 3.875 0.000 0.000 -0.000 3/21600 90.0 3.692 5.201 3.379 0.000 0.000 -0.000 3/21600 100.0 3.279 4.846 2.999 0.000 0.000 -0.000 3/21600 110.0 2.953 4.542 2.696 0.000 0.000 -0.000 3/21600 120.0 2.688 4.273 2.450 0.000 0.000 -0.000 3/21600 130.0 2.469 4.033 2.245 0.000 0.000 -0.000 3/21600 140.0 2.284 3.816 2.072 0.000 0.000 -0.000 3/21600 150.0 2.127 3.619 1.924 0.000 0.000 -0.000 3/21600 160.0 1.990 3.439 1.796 0.000 0.000 -0.000 3/21600 170.0 1.871 3.274 1.684 0.000 0.000 -0.000 3/21600 180.0 1.766 3.123 1.585 0.000 0.000 -0.000 3/21600 190.0 1.672 2.984 1.497 0.000 0.000 -0.000 3/21600 200.0 1.588 2.856 1.419 0.000 0.000 -0.000 3/21600 210.0 1.513 2.738 1.348 0.000 0.000 -0.000 3/21600 220.0 1.444 2.628 1.284 0.000 0.000 -0.000 3/21600 230.0 1.382 2.527 1.226 0.000 0.000 -0.000 3/21600 240.0 1.324 2.432 1.173 0.000 0.000 -0.000 3/21600 250.0 1.272 2.344 1.125 0.000 0.000 -0.000 3/21600 260.0 1.224 2.262 1.080 0.000 0.000 -0.000 3/21600 270.0 1.179 2.185 1.039 0.000 0.000 -0.000 3/21600 280.0 1.137 2.113 1.001 0.000 0.000 -0.000 3/21600 290.0 1.098 2.046 0.965 0.000 0.000 -0.000 3/21600 300.0 1.062 1.982 0.932 0.000 0.000 -0.000 3/21600 310.0 1.028 1.923 0.901 0.000 0.000 -0.000 3/21600 320.0 0.997 1.866 0.873 0.000 0.000 -0.000 3/21600 330.0 0.967 1.813 0.846 0.000 0.000 -0.000 3/21600 340.0 0.939 1.763 0.820 0.000 0.000 -0.000 3/21600 350.0 0.912 1.715 0.796 0.000 0.000 -0.000 3/21600 360.0 0.887 1.670 0.774 0.000 0.000 -0.000 3/21600 370.0 0.864 1.627 0.752 0.000 0.000 -0.000 3/21600 380.0 0.841 1.586 0.732 0.000 0.000 -0.000 3/21600 390.0 0.820 1.547 0.713 0.000 0.000 -0.000 3/21600 400.0 0.800 1.510 0.695 0.000 0.000 -0.000 3/21600 410.0 0.780 1.475 0.678 0.000 0.000 -0.000 3/21600 420.0 0.762 1.441 0.662 0.000 0.000 -0.000 3/21600 430.0 0.744 1.409 0.646 0.000 0.000 -0.000 3/21600 440.0 0.728 1.378 0.631 0.000 0.000 -0.000 3/21600 450.0 0.712 1.348 0.617 0.000 0.000 -0.000 3/21600 460.0 0.696 1.320 0.603 0.000 0.000 -0.000 3/21600 470.0 0.682 1.293 0.590 0.000 0.000 -0.000 3/21600 480.0 0.668 1.267 0.578 0.000 0.000 -0.000 3/21600 490.0 0.654 1.241 0.566 0.000 0.000 -0.000 3/21600 500.0 0.641 1.217 0.555 0.000 0.000 -0.000 3/21600 510.0 0.629 1.194 0.544 0.000 0.000 -0.000 3/21600 520.0 0.617 1.172 0.533 0.000 0.000 -0.000 3/21600 530.0 0.605 1.150 0.523 0.000 0.000 -0.000 3/21600 540.0 0.594 1.129 0.513 0.000 0.000 -0.000 3/21600 550.0 0.583 1.109 0.504 0.000 0.000 -0.000 3/21600 560.0 0.573 1.090 0.495 0.000 0.000 -0.000 3/21600 570.0 0.563 1.071 0.486 0.000 0.000 -0.000 3/21600 580.0 0.554 1.053 0.478 0.000 0.000 -0.000 3/21600 590.0 0.544 1.036 0.469 0.000 0.000 -0.000 3/21600 600.0 0.535 1.019 0.461 0.000 0.000 -0.000 3/21600 610.0 0.526 1.003 0.454 0.000 0.000 -0.000 3/21600 620.0 0.518 0.987 0.446 0.000 0.000 -0.000 3/21600 630.0 0.510 0.971 0.439 0.000 0.000 -0.000 3/21600 640.0 0.502 0.956 0.432 0.000 0.000 -0.000 3/21600 650.0 0.494 0.942 0.426 0.000 0.000 -0.000 3/21600 660.0 0.487 0.928 0.419 0.000 0.000 -0.000 3/21600 670.0 0.480 0.914 0.413 0.000 0.000 -0.000 3/21600 680.0 0.473 0.901 0.407 0.000 0.000 -0.000 3/21600 690.0 0.466 0.888 0.401 0.000 0.000 -0.000 3/21600 700.0 0.459 0.876 0.395 0.000 0.000 -0.000 3/21600 710.0 0.453 0.864 0.390 0.000 0.000 -0.000 3/21600 720.0 0.447 0.852 0.384 0.000 0.000 -0.000 3/21600 730.0 0.440 0.840 0.379 0.000 0.000 -0.000 3/21600 740.0 0.435 0.829 0.374 0.000 0.000 -0.000 3/21600 750.0 0.429 0.818 0.369 0.000 0.000 -0.000 3/21600 760.0 0.423 0.808 0.364 0.000 0.000 -0.000 3/21600 770.0 0.418 0.797 0.359 0.000 0.000 -0.000 3/21600 780.0 0.412 0.787 0.355 0.000 0.000 -0.000 3/21600 790.0 0.407 0.777 0.350 0.000 0.000 -0.000 3/21600 800.0 0.402 0.768 0.346 0.000 0.000 -0.000 3/21600 810.0 0.397 0.759 0.341 0.000 0.000 -0.000 3/21600 820.0 0.392 0.749 0.337 0.000 0.000 -0.000 3/21600 830.0 0.388 0.740 0.333 0.000 0.000 -0.000 3/21600 840.0 0.383 0.732 0.329 0.000 0.000 -0.000 3/21600 850.0 0.379 0.723 0.325 0.000 0.000 -0.000 3/21600 860.0 0.374 0.715 0.321 0.000 0.000 -0.000 3/21600 870.0 0.370 0.707 0.318 0.000 0.000 -0.000 3/21600 880.0 0.366 0.699 0.314 0.000 0.000 -0.000 3/21600 890.0 0.362 0.691 0.311 0.000 0.000 -0.000 3/21600 900.0 0.358 0.684 0.307 0.000 0.000 -0.000 3/21600 910.0 0.354 0.676 0.304 0.000 0.000 -0.000 3/21600 920.0 0.350 0.669 0.300 0.000 0.000 -0.000 3/21600 930.0 0.346 0.662 0.297 0.000 0.000 -0.000 3/21600 940.0 0.342 0.655 0.294 0.000 0.000 -0.000 3/21600 950.0 0.339 0.648 0.291 0.000 0.000 -0.000 3/21600 960.0 0.335 0.641 0.288 0.000 0.000 -0.000 3/21600 970.0 0.332 0.635 0.285 0.000 0.000 -0.000 3/21600 980.0 0.329 0.628 0.282 0.000 0.000 -0.000 3/21600 990.0 0.325 0.622 0.279 0.000 0.000 -0.000 3/21600 1000.0 0.322 0.616 0.276 0.000 0.000 -0.000 3/21600 Thermal conductivity related properties were written into "kappa-m855.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:31:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|