# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/772a08d8-de8f-40a4-b6c2-1a55175f0209/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for LiCaAlF6 / P-31c (163) / materials id 6134](https://mdr.nims.go.jp/datasets/bb58da91-023d-4f48-ac36-cf6b40cc0aba) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 21:18:03]-------------------------Compiled with OpenMP support (max 48 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-31c (163)Number of symmetry operations in supercell: 96------------------------------ primitive cell ------------------------------Lattice vectors: a 4.993661822585763 0.000000000000000 0.000000000000000 b -2.496830911292882 4.324637996267771 0.000000000000000 c 0.000000000000000 0.000000000000000 9.599606310000000Atomic positions (fractional): *1 Li 0.33333333333333 0.66666666666667 0.75000000000000 6.941 2 Li 0.66666666666667 0.33333333333333 0.25000000000000 6.941 *3 F 0.97193444336646 0.62602623566736 0.85752568358988 18.998 4 F 0.34590820769910 0.37397376433264 0.35752568358988 18.998 5 F 0.02806555663354 0.65409179230090 0.35752568358988 18.998 6 F 0.62602623566736 0.97193444336646 0.35752568358988 18.998 7 F 0.37397376433264 0.02806555663354 0.64247431641012 18.998 8 F 0.65409179230090 0.02806555663354 0.85752568358988 18.998 9 F 0.37397376433264 0.34590820769910 0.85752568358988 18.998 10 F 0.97193444336646 0.34590820769910 0.64247431641012 18.998 11 F 0.34590820769910 0.97193444336646 0.14247431641013 18.998 12 F 0.65409179230090 0.62602623566736 0.64247431641012 18.998 13 F 0.02806555663354 0.37397376433264 0.14247431641013 18.998 14 F 0.62602623566736 0.65409179230090 0.14247431641013 18.998 *15 Al 0.66666666666667 0.33333333333333 0.75000000000000 26.982 16 Al 0.33333333333333 0.66666666666667 0.25000000000000 26.982 *17 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 18 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.993661822585763 0.000000000000000 0.000000000000000 b -2.496830911292882 4.324637996267771 0.000000000000000 c 0.000000000000000 0.000000000000000 9.599606310000000Atomic positions (fractional): *1 Li 0.33333333333333 0.66666666666667 0.75000000000000 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.25000000000000 6.941 > 2 *3 F 0.97193444336646 0.62602623566736 0.85752568358988 18.998 > 3 4 F 0.34590820769910 0.37397376433264 0.35752568358988 18.998 > 4 5 F 0.02806555663354 0.65409179230090 0.35752568358988 18.998 > 5 6 F 0.62602623566736 0.97193444336646 0.35752568358988 18.998 > 6 7 F 0.37397376433264 0.02806555663354 0.64247431641012 18.998 > 7 8 F 0.65409179230090 0.02806555663354 0.85752568358988 18.998 > 8 9 F 0.37397376433264 0.34590820769910 0.85752568358988 18.998 > 9 10 F 0.97193444336646 0.34590820769910 0.64247431641012 18.998 > 10 11 F 0.34590820769910 0.97193444336646 0.14247431641013 18.998 > 11 12 F 0.65409179230090 0.62602623566736 0.64247431641012 18.998 > 12 13 F 0.02806555663354 0.37397376433264 0.14247431641013 18.998 > 13 14 F 0.62602623566736 0.65409179230090 0.14247431641013 18.998 > 14 *15 Al 0.66666666666667 0.33333333333333 0.75000000000000 26.982 > 15 16 Al 0.33333333333333 0.66666666666667 0.25000000000000 26.982 > 16 *17 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 17 18 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 18-------------------------------- super cell --------------------------------Lattice vectors: a 9.987323645171527 0.000000000000000 0.000000000000000 b -4.993661822585764 8.649275992535541 0.000000000000000 c 0.000000000000000 0.000000000000000 19.199212620000001Atomic positions (fractional): *1 Li 0.16666666666667 0.33333333333333 0.37500000000000 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.37500000000000 6.941 > 1 3 Li 0.16666666666667 0.83333333333333 0.37500000000000 6.941 > 1 4 Li 0.66666666666667 0.83333333333333 0.37500000000000 6.941 > 1 5 Li 0.16666666666667 0.33333333333333 0.87500000000000 6.941 > 1 6 Li 0.66666666666667 0.33333333333333 0.87500000000000 6.941 > 1 7 Li 0.16666666666667 0.83333333333333 0.87500000000000 6.941 > 1 8 Li 0.66666666666667 0.83333333333333 0.87500000000000 6.941 > 1 9 Li 0.33333333333333 0.16666666666667 0.12500000000000 6.941 > 2 10 Li 0.83333333333333 0.16666666666667 0.12500000000000 6.941 > 2 11 Li 0.33333333333333 0.66666666666667 0.12500000000000 6.941 > 2 12 Li 0.83333333333333 0.66666666666667 0.12500000000000 6.941 > 2 13 Li 0.33333333333333 0.16666666666667 0.62500000000000 6.941 > 2 14 Li 0.83333333333333 0.16666666666667 0.62500000000000 6.941 > 2 15 Li 0.33333333333333 0.66666666666667 0.62500000000000 6.941 > 2 16 Li 0.83333333333333 0.66666666666667 0.62500000000000 6.941 > 2 *17 F 0.48596722168323 0.31301311783368 0.42876284179494 18.998 > 3 18 F 0.98596722168323 0.31301311783368 0.42876284179494 18.998 > 3 19 F 0.48596722168323 0.81301311783368 0.42876284179494 18.998 > 3 20 F 0.98596722168323 0.81301311783368 0.42876284179494 18.998 > 3 21 F 0.48596722168323 0.31301311783368 0.92876284179494 18.998 > 3 22 F 0.98596722168323 0.31301311783368 0.92876284179494 18.998 > 3 23 F 0.48596722168323 0.81301311783368 0.92876284179494 18.998 > 3 24 F 0.98596722168323 0.81301311783368 0.92876284179494 18.998 > 3 25 F 0.17295410384955 0.18698688216632 0.17876284179494 18.998 > 4 26 F 0.67295410384955 0.18698688216632 0.17876284179494 18.998 > 4 27 F 0.17295410384955 0.68698688216632 0.17876284179494 18.998 > 4 28 F 0.67295410384955 0.68698688216632 0.17876284179494 18.998 > 4 29 F 0.17295410384955 0.18698688216632 0.67876284179494 18.998 > 4 30 F 0.67295410384955 0.18698688216632 0.67876284179494 18.998 > 4 31 F 0.17295410384955 0.68698688216632 0.67876284179494 18.998 > 4 32 F 0.67295410384955 0.68698688216632 0.67876284179494 18.998 > 4 33 F 0.01403277831677 0.32704589615045 0.17876284179494 18.998 > 5 34 F 0.51403277831677 0.32704589615045 0.17876284179494 18.998 > 5 35 F 0.01403277831677 0.82704589615045 0.17876284179494 18.998 > 5 36 F 0.51403277831677 0.82704589615045 0.17876284179494 18.998 > 5 37 F 0.01403277831677 0.32704589615045 0.67876284179494 18.998 > 5 38 F 0.51403277831677 0.32704589615045 0.67876284179494 18.998 > 5 39 F 0.01403277831677 0.82704589615045 0.67876284179494 18.998 > 5 40 F 0.51403277831677 0.82704589615045 0.67876284179494 18.998 > 5 41 F 0.31301311783368 0.48596722168323 0.17876284179494 18.998 > 6 42 F 0.81301311783368 0.48596722168323 0.17876284179494 18.998 > 6 43 F 0.31301311783368 0.98596722168323 0.17876284179494 18.998 > 6 44 F 0.81301311783368 0.98596722168323 0.17876284179494 18.998 > 6 45 F 0.31301311783368 0.48596722168323 0.67876284179494 18.998 > 6 46 F 0.81301311783368 0.48596722168323 0.67876284179494 18.998 > 6 47 F 0.31301311783368 0.98596722168323 0.67876284179494 18.998 > 6 48 F 0.81301311783368 0.98596722168323 0.67876284179494 18.998 > 6 49 F 0.18698688216632 0.01403277831677 0.32123715820506 18.998 > 7 50 F 0.68698688216632 0.01403277831677 0.32123715820506 18.998 > 7 51 F 0.18698688216632 0.51403277831677 0.32123715820506 18.998 > 7 52 F 0.68698688216632 0.51403277831677 0.32123715820506 18.998 > 7 53 F 0.18698688216632 0.01403277831677 0.82123715820506 18.998 > 7 54 F 0.68698688216632 0.01403277831677 0.82123715820506 18.998 > 7 55 F 0.18698688216632 0.51403277831677 0.82123715820506 18.998 > 7 56 F 0.68698688216632 0.51403277831677 0.82123715820506 18.998 > 7 57 F 0.32704589615045 0.01403277831677 0.42876284179494 18.998 > 8 58 F 0.82704589615045 0.01403277831677 0.42876284179494 18.998 > 8 59 F 0.32704589615045 0.51403277831677 0.42876284179494 18.998 > 8 60 F 0.82704589615045 0.51403277831677 0.42876284179494 18.998 > 8 61 F 0.32704589615045 0.01403277831677 0.92876284179494 18.998 > 8 62 F 0.82704589615045 0.01403277831677 0.92876284179494 18.998 > 8 63 F 0.32704589615045 0.51403277831677 0.92876284179494 18.998 > 8 64 F 0.82704589615045 0.51403277831677 0.92876284179494 18.998 > 8 65 F 0.18698688216632 0.17295410384955 0.42876284179494 18.998 > 9 66 F 0.68698688216632 0.17295410384955 0.42876284179494 18.998 > 9 67 F 0.18698688216632 0.67295410384955 0.42876284179494 18.998 > 9 68 F 0.68698688216632 0.67295410384955 0.42876284179494 18.998 > 9 69 F 0.18698688216632 0.17295410384955 0.92876284179494 18.998 > 9 70 F 0.68698688216632 0.17295410384955 0.92876284179494 18.998 > 9 71 F 0.18698688216632 0.67295410384955 0.92876284179494 18.998 > 9 72 F 0.68698688216632 0.67295410384955 0.92876284179494 18.998 > 9 73 F 0.48596722168323 0.17295410384955 0.32123715820506 18.998 > 10 74 F 0.98596722168323 0.17295410384955 0.32123715820506 18.998 > 10 75 F 0.48596722168323 0.67295410384955 0.32123715820506 18.998 > 10 76 F 0.98596722168323 0.67295410384955 0.32123715820506 18.998 > 10 77 F 0.48596722168323 0.17295410384955 0.82123715820506 18.998 > 10 78 F 0.98596722168323 0.17295410384955 0.82123715820506 18.998 > 10 79 F 0.48596722168323 0.67295410384955 0.82123715820506 18.998 > 10 80 F 0.98596722168323 0.67295410384955 0.82123715820506 18.998 > 10 81 F 0.17295410384955 0.48596722168323 0.07123715820506 18.998 > 11 82 F 0.67295410384955 0.48596722168323 0.07123715820506 18.998 > 11 83 F 0.17295410384955 0.98596722168323 0.07123715820506 18.998 > 11 84 F 0.67295410384955 0.98596722168323 0.07123715820506 18.998 > 11 85 F 0.17295410384955 0.48596722168323 0.57123715820506 18.998 > 11 86 F 0.67295410384955 0.48596722168323 0.57123715820506 18.998 > 11 87 F 0.17295410384955 0.98596722168323 0.57123715820506 18.998 > 11 88 F 0.67295410384955 0.98596722168323 0.57123715820506 18.998 > 11 89 F 0.32704589615045 0.31301311783368 0.32123715820506 18.998 > 12 90 F 0.82704589615045 0.31301311783368 0.32123715820506 18.998 > 12 91 F 0.32704589615045 0.81301311783368 0.32123715820506 18.998 > 12 92 F 0.82704589615045 0.81301311783368 0.32123715820506 18.998 > 12 93 F 0.32704589615045 0.31301311783368 0.82123715820506 18.998 > 12 94 F 0.82704589615045 0.31301311783368 0.82123715820506 18.998 > 12 95 F 0.32704589615045 0.81301311783368 0.82123715820506 18.998 > 12 96 F 0.82704589615045 0.81301311783368 0.82123715820506 18.998 > 12 97 F 0.01403277831677 0.18698688216632 0.07123715820506 18.998 > 13 98 F 0.51403277831677 0.18698688216632 0.07123715820506 18.998 > 13 99 F 0.01403277831677 0.68698688216632 0.07123715820506 18.998 > 13 100 F 0.51403277831677 0.68698688216632 0.07123715820506 18.998 > 13 101 F 0.01403277831677 0.18698688216632 0.57123715820506 18.998 > 13 102 F 0.51403277831677 0.18698688216632 0.57123715820506 18.998 > 13 103 F 0.01403277831677 0.68698688216632 0.57123715820506 18.998 > 13 104 F 0.51403277831677 0.68698688216632 0.57123715820506 18.998 > 13 105 F 0.31301311783368 0.32704589615045 0.07123715820506 18.998 > 14 106 F 0.81301311783368 0.32704589615045 0.07123715820506 18.998 > 14 107 F 0.31301311783368 0.82704589615045 0.07123715820506 18.998 > 14 108 F 0.81301311783368 0.82704589615045 0.07123715820506 18.998 > 14 109 F 0.31301311783368 0.32704589615045 0.57123715820506 18.998 > 14 110 F 0.81301311783368 0.32704589615045 0.57123715820506 18.998 > 14 111 F 0.31301311783368 0.82704589615045 0.57123715820506 18.998 > 14 112 F 0.81301311783368 0.82704589615045 0.57123715820506 18.998 > 14 *113 Al 0.33333333333333 0.16666666666667 0.37500000000000 26.982 > 15 114 Al 0.83333333333333 0.16666666666667 0.37500000000000 26.982 > 15 115 Al 0.33333333333333 0.66666666666667 0.37500000000000 26.982 > 15 116 Al 0.83333333333333 0.66666666666667 0.37500000000000 26.982 > 15 117 Al 0.33333333333333 0.16666666666667 0.87500000000000 26.982 > 15 118 Al 0.83333333333333 0.16666666666667 0.87500000000000 26.982 > 15 119 Al 0.33333333333333 0.66666666666667 0.87500000000000 26.982 > 15 120 Al 0.83333333333333 0.66666666666667 0.87500000000000 26.982 > 15 121 Al 0.16666666666667 0.33333333333333 0.12500000000000 26.982 > 16 122 Al 0.66666666666667 0.33333333333333 0.12500000000000 26.982 > 16 123 Al 0.16666666666667 0.83333333333333 0.12500000000000 26.982 > 16 124 Al 0.66666666666667 0.83333333333333 0.12500000000000 26.982 > 16 125 Al 0.16666666666667 0.33333333333333 0.62500000000000 26.982 > 16 126 Al 0.66666666666667 0.33333333333333 0.62500000000000 26.982 > 16 127 Al 0.16666666666667 0.83333333333333 0.62500000000000 26.982 > 16 128 Al 0.66666666666667 0.83333333333333 0.62500000000000 26.982 > 16 *129 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 17 130 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 17 131 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 17 132 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 17 133 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 17 134 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 17 135 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 17 136 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 17 137 Ca 0.00000000000000 0.00000000000000 0.25000000000000 40.078 > 18 138 Ca 0.50000000000000 0.00000000000000 0.25000000000000 40.078 > 18 139 Ca 0.00000000000000 0.50000000000000 0.25000000000000 40.078 > 18 140 Ca 0.50000000000000 0.50000000000000 0.25000000000000 40.078 > 18 141 Ca 0.00000000000000 0.00000000000000 0.75000000000000 40.078 > 18 142 Ca 0.50000000000000 0.00000000000000 0.75000000000000 40.078 > 18 143 Ca 0.00000000000000 0.50000000000000 0.75000000000000 40.078 > 18 144 Ca 0.50000000000000 0.50000000000000 0.75000000000000 40.078 > 18----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.0787949 0.0000000 0.0000000 0.0000000 2.0787949 0.0000000 0.0000000 0.0000000 2.0833318-------------------------- Born effective charges -------------------------- 1 Li 1.1127284 -0.0000000 0.0000000 0.0000000 1.1127284 0.0000000 0.0000000 -0.0000000 0.9513715 2 Li 1.1127284 -0.0000000 0.0000000 0.0000000 1.1127284 0.0000000 0.0000000 -0.0000000 0.9513715 3 F -0.9347049 -0.0253654 0.0377543 -0.0417230 -1.1591343 -0.3241521 0.0283275 -0.3183518 -1.0392100 4 F -0.9347049 0.0253654 0.0377543 0.0417230 -1.1591343 0.3241521 0.0283275 0.3183518 -1.0392100 5 F -1.1320771 0.0722299 0.2618468 0.0885875 -0.9617622 -0.1947722 0.2615370 -0.1837082 -1.0392100 6 F -1.0739769 -0.1221317 -0.2996011 -0.1057741 -1.0198624 -0.1293798 -0.2898645 -0.1346436 -1.0392100 7 F -1.0739769 -0.1221317 -0.2996011 -0.1057741 -1.0198624 -0.1293798 -0.2898645 -0.1346436 -1.0392100 8 F -1.0739769 0.1221317 -0.2996011 0.1057741 -1.0198624 0.1293798 -0.2898645 0.1346436 -1.0392100 9 F -1.1320771 -0.0722299 0.2618468 -0.0885875 -0.9617622 0.1947722 0.2615370 0.1837082 -1.0392100 10 F -1.1320771 0.0722299 0.2618468 0.0885875 -0.9617622 -0.1947722 0.2615370 -0.1837082 -1.0392100 11 F -1.0739769 0.1221317 -0.2996011 0.1057741 -1.0198624 0.1293798 -0.2898645 0.1346436 -1.0392100 12 F -0.9347049 0.0253654 0.0377543 0.0417230 -1.1591343 0.3241521 0.0283275 0.3183518 -1.0392100 13 F -0.9347049 -0.0253654 0.0377543 -0.0417230 -1.1591343 -0.3241521 0.0283275 -0.3183518 -1.0392100 14 F -1.1320771 -0.0722299 0.2618468 -0.0885875 -0.9617622 0.1947722 0.2615370 0.1837082 -1.0392100 15 Al 2.8346339 -0.0000000 0.0000000 0.0000000 2.8346339 0.0000000 0.0000000 -0.0000000 2.7644270 16 Al 2.8346339 -0.0000000 0.0000000 0.0000000 2.8346339 0.0000000 0.0000000 -0.0000000 2.7644270 17 Ca 2.3341555 0.0529955 0.0000000 -0.0529955 2.3341555 0.0000000 0.0000000 -0.0000000 2.5194616 18 Ca 2.3341555 -0.0529955 0.0000000 0.0529955 2.3341555 0.0000000 0.0000000 -0.0000000 2.5194616----------------------------------------------------------------------------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: 432/432Permutation basis: 12204/12204Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1045Number of blocks in projector: 530Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 481Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 422Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 142Use standard eigh solver.Tree of FC basis block matrices:- (1045, 1029), data: False|-- (142, 138), data: True|-- (422, 418), data: True|-- (481, 473), data: True-----Solver_atoms: 1 -- 144 / 144Time (Solver_compr_matrix_reshape): 0.034Solver_block: 100 / 240 - Time: 0.555Solver_block: 200 / 240 - Time: 0.581Solver_block: 240 / 240 - Time: 0.305Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.490--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432Permutation basis: 12204/12204Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1045Number of blocks in projector: 530Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 481Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 422Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 142Use standard eigh solver.Tree of FC basis block matrices:- (1045, 1029), data: False|-- (142, 138), data: True|-- (422, 418), data: True|-- (481, 473), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 21:18:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 21:18:21]-------------------------Compiled with OpenMP support (max 48 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 2 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-31c (163)------------------------------ primitive cell ------------------------------Lattice vectors: a 4.993661822585763 0.000000000000000 0.000000000000000 b -2.496830911292882 4.324637996267771 0.000000000000000 c 0.000000000000000 0.000000000000000 9.599606310000000Atomic positions (fractional): 1 Li 0.33333333333333 0.66666666666667 0.75000000000000 6.941 2 Li 0.66666666666667 0.33333333333333 0.25000000000000 6.941 3 F 0.97193444336646 0.62602623566736 0.85752568358988 18.998 4 F 0.34590820769910 0.37397376433264 0.35752568358988 18.998 5 F 0.02806555663354 0.65409179230090 0.35752568358988 18.998 6 F 0.62602623566736 0.97193444336646 0.35752568358988 18.998 7 F 0.37397376433264 0.02806555663354 0.64247431641012 18.998 8 F 0.65409179230090 0.02806555663354 0.85752568358988 18.998 9 F 0.37397376433264 0.34590820769910 0.85752568358988 18.998 10 F 0.97193444336646 0.34590820769910 0.64247431641012 18.998 11 F 0.34590820769910 0.97193444336646 0.14247431641013 18.998 12 F 0.65409179230090 0.62602623566736 0.64247431641012 18.998 13 F 0.02806555663354 0.37397376433264 0.14247431641013 18.998 14 F 0.62602623566736 0.65409179230090 0.14247431641013 18.998 15 Al 0.66666666666667 0.33333333333333 0.75000000000000 26.982 16 Al 0.33333333333333 0.66666666666667 0.25000000000000 26.982 17 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 18 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078-------------------------------- supercell ---------------------------------Lattice vectors: a 9.987323645171527 0.000000000000000 0.000000000000000 b -4.993661822585764 8.649275992535541 0.000000000000000 c 0.000000000000000 0.000000000000000 19.199212620000001Atomic positions (fractional): 1 Li 0.16666666666667 0.33333333333333 0.37500000000000 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.37500000000000 6.941 > 1 3 Li 0.16666666666667 0.83333333333333 0.37500000000000 6.941 > 1 4 Li 0.66666666666667 0.83333333333333 0.37500000000000 6.941 > 1 5 Li 0.16666666666667 0.33333333333333 0.87500000000000 6.941 > 1 6 Li 0.66666666666667 0.33333333333333 0.87500000000000 6.941 > 1 7 Li 0.16666666666667 0.83333333333333 0.87500000000000 6.941 > 1 8 Li 0.66666666666667 0.83333333333333 0.87500000000000 6.941 > 1 9 Li 0.33333333333333 0.16666666666667 0.12500000000000 6.941 > 9 10 Li 0.83333333333333 0.16666666666667 0.12500000000000 6.941 > 9 11 Li 0.33333333333333 0.66666666666667 0.12500000000000 6.941 > 9 12 Li 0.83333333333333 0.66666666666667 0.12500000000000 6.941 > 9 13 Li 0.33333333333333 0.16666666666667 0.62500000000000 6.941 > 9 14 Li 0.83333333333333 0.16666666666667 0.62500000000000 6.941 > 9 15 Li 0.33333333333333 0.66666666666667 0.62500000000000 6.941 > 9 16 Li 0.83333333333333 0.66666666666667 0.62500000000000 6.941 > 9 17 F 0.48596722168323 0.31301311783368 0.42876284179494 18.998 > 17 18 F 0.98596722168323 0.31301311783368 0.42876284179494 18.998 > 17 19 F 0.48596722168323 0.81301311783368 0.42876284179494 18.998 > 17 20 F 0.98596722168323 0.81301311783368 0.42876284179494 18.998 > 17 21 F 0.48596722168323 0.31301311783368 0.92876284179494 18.998 > 17 22 F 0.98596722168323 0.31301311783368 0.92876284179494 18.998 > 17 23 F 0.48596722168323 0.81301311783368 0.92876284179494 18.998 > 17 24 F 0.98596722168323 0.81301311783368 0.92876284179494 18.998 > 17 25 F 0.17295410384955 0.18698688216632 0.17876284179494 18.998 > 25 26 F 0.67295410384955 0.18698688216632 0.17876284179494 18.998 > 25 27 F 0.17295410384955 0.68698688216632 0.17876284179494 18.998 > 25 28 F 0.67295410384955 0.68698688216632 0.17876284179494 18.998 > 25 29 F 0.17295410384955 0.18698688216632 0.67876284179494 18.998 > 25 30 F 0.67295410384955 0.18698688216632 0.67876284179494 18.998 > 25 31 F 0.17295410384955 0.68698688216632 0.67876284179494 18.998 > 25 32 F 0.67295410384955 0.68698688216632 0.67876284179494 18.998 > 25 33 F 0.01403277831677 0.32704589615045 0.17876284179494 18.998 > 33 34 F 0.51403277831677 0.32704589615045 0.17876284179494 18.998 > 33 35 F 0.01403277831677 0.82704589615045 0.17876284179494 18.998 > 33 36 F 0.51403277831677 0.82704589615045 0.17876284179494 18.998 > 33 37 F 0.01403277831677 0.32704589615045 0.67876284179494 18.998 > 33 38 F 0.51403277831677 0.32704589615045 0.67876284179494 18.998 > 33 39 F 0.01403277831677 0.82704589615045 0.67876284179494 18.998 > 33 40 F 0.51403277831677 0.82704589615045 0.67876284179494 18.998 > 33 41 F 0.31301311783368 0.48596722168323 0.17876284179494 18.998 > 41 42 F 0.81301311783368 0.48596722168323 0.17876284179494 18.998 > 41 43 F 0.31301311783368 0.98596722168323 0.17876284179494 18.998 > 41 44 F 0.81301311783368 0.98596722168323 0.17876284179494 18.998 > 41 45 F 0.31301311783368 0.48596722168323 0.67876284179494 18.998 > 41 46 F 0.81301311783368 0.48596722168323 0.67876284179494 18.998 > 41 47 F 0.31301311783368 0.98596722168323 0.67876284179494 18.998 > 41 48 F 0.81301311783368 0.98596722168323 0.67876284179494 18.998 > 41 49 F 0.18698688216632 0.01403277831677 0.32123715820506 18.998 > 49 50 F 0.68698688216632 0.01403277831677 0.32123715820506 18.998 > 49 51 F 0.18698688216632 0.51403277831677 0.32123715820506 18.998 > 49 52 F 0.68698688216632 0.51403277831677 0.32123715820506 18.998 > 49 53 F 0.18698688216632 0.01403277831677 0.82123715820506 18.998 > 49 54 F 0.68698688216632 0.01403277831677 0.82123715820506 18.998 > 49 55 F 0.18698688216632 0.51403277831677 0.82123715820506 18.998 > 49 56 F 0.68698688216632 0.51403277831677 0.82123715820506 18.998 > 49 57 F 0.32704589615045 0.01403277831677 0.42876284179494 18.998 > 57 58 F 0.82704589615045 0.01403277831677 0.42876284179494 18.998 > 57 59 F 0.32704589615045 0.51403277831677 0.42876284179494 18.998 > 57 60 F 0.82704589615045 0.51403277831677 0.42876284179494 18.998 > 57 61 F 0.32704589615045 0.01403277831677 0.92876284179494 18.998 > 57 62 F 0.82704589615045 0.01403277831677 0.92876284179494 18.998 > 57 63 F 0.32704589615045 0.51403277831677 0.92876284179494 18.998 > 57 64 F 0.82704589615045 0.51403277831677 0.92876284179494 18.998 > 57 65 F 0.18698688216632 0.17295410384955 0.42876284179494 18.998 > 65 66 F 0.68698688216632 0.17295410384955 0.42876284179494 18.998 > 65 67 F 0.18698688216632 0.67295410384955 0.42876284179494 18.998 > 65 68 F 0.68698688216632 0.67295410384955 0.42876284179494 18.998 > 65 69 F 0.18698688216632 0.17295410384955 0.92876284179494 18.998 > 65 70 F 0.68698688216632 0.17295410384955 0.92876284179494 18.998 > 65 71 F 0.18698688216632 0.67295410384955 0.92876284179494 18.998 > 65 72 F 0.68698688216632 0.67295410384955 0.92876284179494 18.998 > 65 73 F 0.48596722168323 0.17295410384955 0.32123715820506 18.998 > 73 74 F 0.98596722168323 0.17295410384955 0.32123715820506 18.998 > 73 75 F 0.48596722168323 0.67295410384955 0.32123715820506 18.998 > 73 76 F 0.98596722168323 0.67295410384955 0.32123715820506 18.998 > 73 77 F 0.48596722168323 0.17295410384955 0.82123715820506 18.998 > 73 78 F 0.98596722168323 0.17295410384955 0.82123715820506 18.998 > 73 79 F 0.48596722168323 0.67295410384955 0.82123715820506 18.998 > 73 80 F 0.98596722168323 0.67295410384955 0.82123715820506 18.998 > 73 81 F 0.17295410384955 0.48596722168323 0.07123715820506 18.998 > 81 82 F 0.67295410384955 0.48596722168323 0.07123715820506 18.998 > 81 83 F 0.17295410384955 0.98596722168323 0.07123715820506 18.998 > 81 84 F 0.67295410384955 0.98596722168323 0.07123715820506 18.998 > 81 85 F 0.17295410384955 0.48596722168323 0.57123715820506 18.998 > 81 86 F 0.67295410384955 0.48596722168323 0.57123715820506 18.998 > 81 87 F 0.17295410384955 0.98596722168323 0.57123715820506 18.998 > 81 88 F 0.67295410384955 0.98596722168323 0.57123715820506 18.998 > 81 89 F 0.32704589615045 0.31301311783368 0.32123715820506 18.998 > 89 90 F 0.82704589615045 0.31301311783368 0.32123715820506 18.998 > 89 91 F 0.32704589615045 0.81301311783368 0.32123715820506 18.998 > 89 92 F 0.82704589615045 0.81301311783368 0.32123715820506 18.998 > 89 93 F 0.32704589615045 0.31301311783368 0.82123715820506 18.998 > 89 94 F 0.82704589615045 0.31301311783368 0.82123715820506 18.998 > 89 95 F 0.32704589615045 0.81301311783368 0.82123715820506 18.998 > 89 96 F 0.82704589615045 0.81301311783368 0.82123715820506 18.998 > 89 97 F 0.01403277831677 0.18698688216632 0.07123715820506 18.998 > 97 98 F 0.51403277831677 0.18698688216632 0.07123715820506 18.998 > 97 99 F 0.01403277831677 0.68698688216632 0.07123715820506 18.998 > 97 100 F 0.51403277831677 0.68698688216632 0.07123715820506 18.998 > 97 101 F 0.01403277831677 0.18698688216632 0.57123715820506 18.998 > 97 102 F 0.51403277831677 0.18698688216632 0.57123715820506 18.998 > 97 103 F 0.01403277831677 0.68698688216632 0.57123715820506 18.998 > 97 104 F 0.51403277831677 0.68698688216632 0.57123715820506 18.998 > 97 105 F 0.31301311783368 0.32704589615045 0.07123715820506 18.998 > 105 106 F 0.81301311783368 0.32704589615045 0.07123715820506 18.998 > 105 107 F 0.31301311783368 0.82704589615045 0.07123715820506 18.998 > 105 108 F 0.81301311783368 0.82704589615045 0.07123715820506 18.998 > 105 109 F 0.31301311783368 0.32704589615045 0.57123715820506 18.998 > 105 110 F 0.81301311783368 0.32704589615045 0.57123715820506 18.998 > 105 111 F 0.31301311783368 0.82704589615045 0.57123715820506 18.998 > 105 112 F 0.81301311783368 0.82704589615045 0.57123715820506 18.998 > 105 113 Al 0.33333333333333 0.16666666666667 0.37500000000000 26.982 > 113 114 Al 0.83333333333333 0.16666666666667 0.37500000000000 26.982 > 113 115 Al 0.33333333333333 0.66666666666667 0.37500000000000 26.982 > 113 116 Al 0.83333333333333 0.66666666666667 0.37500000000000 26.982 > 113 117 Al 0.33333333333333 0.16666666666667 0.87500000000000 26.982 > 113 118 Al 0.83333333333333 0.16666666666667 0.87500000000000 26.982 > 113 119 Al 0.33333333333333 0.66666666666667 0.87500000000000 26.982 > 113 120 Al 0.83333333333333 0.66666666666667 0.87500000000000 26.982 > 113 121 Al 0.16666666666667 0.33333333333333 0.12500000000000 26.982 > 121 122 Al 0.66666666666667 0.33333333333333 0.12500000000000 26.982 > 121 123 Al 0.16666666666667 0.83333333333333 0.12500000000000 26.982 > 121 124 Al 0.66666666666667 0.83333333333333 0.12500000000000 26.982 > 121 125 Al 0.16666666666667 0.33333333333333 0.62500000000000 26.982 > 121 126 Al 0.66666666666667 0.33333333333333 0.62500000000000 26.982 > 121 127 Al 0.16666666666667 0.83333333333333 0.62500000000000 26.982 > 121 128 Al 0.66666666666667 0.83333333333333 0.62500000000000 26.982 > 121 129 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 129 130 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 129 131 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 129 132 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 129 133 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 129 134 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 129 135 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 129 136 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 129 137 Ca 0.00000000000000 0.00000000000000 0.25000000000000 40.078 > 137 138 Ca 0.50000000000000 0.00000000000000 0.25000000000000 40.078 > 137 139 Ca 0.00000000000000 0.50000000000000 0.25000000000000 40.078 > 137 140 Ca 0.50000000000000 0.50000000000000 0.25000000000000 40.078 > 137 141 Ca 0.00000000000000 0.00000000000000 0.75000000000000 40.078 > 137 142 Ca 0.50000000000000 0.00000000000000 0.75000000000000 40.078 > 137 143 Ca 0.00000000000000 0.50000000000000 0.75000000000000 40.078 > 137 144 Ca 0.50000000000000 0.50000000000000 0.75000000000000 40.078 > 137----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.0787949 0.0000000 0.0000000 0.0000000 2.0787949 0.0000000 0.0000000 0.0000000 2.0833318-------------------------- Born effective charges -------------------------- 1 Li 1.1127284 -0.0000000 0.0000000 0.0000000 1.1127284 0.0000000 0.0000000 -0.0000000 0.9513715 2 Li 1.1127284 -0.0000000 0.0000000 0.0000000 1.1127284 0.0000000 0.0000000 -0.0000000 0.9513715 3 F -0.9347049 -0.0253654 0.0377543 -0.0417230 -1.1591343 -0.3241521 0.0283275 -0.3183518 -1.0392100 4 F -0.9347049 0.0253654 0.0377543 0.0417230 -1.1591343 0.3241521 0.0283275 0.3183518 -1.0392100 5 F -1.1320771 0.0722299 0.2618468 0.0885875 -0.9617622 -0.1947722 0.2615370 -0.1837082 -1.0392100 6 F -1.0739769 -0.1221317 -0.2996011 -0.1057741 -1.0198624 -0.1293798 -0.2898645 -0.1346436 -1.0392100 7 F -1.0739769 -0.1221317 -0.2996011 -0.1057741 -1.0198624 -0.1293798 -0.2898645 -0.1346436 -1.0392100 8 F -1.0739769 0.1221317 -0.2996011 0.1057741 -1.0198624 0.1293798 -0.2898645 0.1346436 -1.0392100 9 F -1.1320771 -0.0722299 0.2618468 -0.0885875 -0.9617622 0.1947722 0.2615370 0.1837082 -1.0392100 10 F -1.1320771 0.0722299 0.2618468 0.0885875 -0.9617622 -0.1947722 0.2615370 -0.1837082 -1.0392100 11 F -1.0739769 0.1221317 -0.2996011 0.1057741 -1.0198624 0.1293798 -0.2898645 0.1346436 -1.0392100 12 F -0.9347049 0.0253654 0.0377543 0.0417230 -1.1591343 0.3241521 0.0283275 0.3183518 -1.0392100 13 F -0.9347049 -0.0253654 0.0377543 -0.0417230 -1.1591343 -0.3241521 0.0283275 -0.3183518 -1.0392100 14 F -1.1320771 -0.0722299 0.2618468 -0.0885875 -0.9617622 0.1947722 0.2615370 0.1837082 -1.0392100 15 Al 2.8346339 -0.0000000 0.0000000 0.0000000 2.8346339 0.0000000 0.0000000 -0.0000000 2.7644270 16 Al 2.8346339 -0.0000000 0.0000000 0.0000000 2.8346339 0.0000000 0.0000000 -0.0000000 2.7644270 17 Ca 2.3341555 0.0529955 0.0000000 -0.0529955 2.3341555 0.0000000 0.0000000 -0.0000000 2.5194616 18 Ca 2.3341555 -0.0529955 0.0000000 0.0529955 2.3341555 0.0000000 0.0000000 -0.0000000 2.5194616----------------------------------------------------------------------------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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 17, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 129, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 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: 0.00000021 (xyx) 0.00000021 (xyx) 0.00000021 (xxy)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000019 (xy) -0.00000019 (xy) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 21:18:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 21:18:43]-------------------------Compiled with OpenMP support (max 48 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 2 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-31c (163)------------------------------ primitive cell ------------------------------Lattice vectors: a 4.993661822585763 0.000000000000000 0.000000000000000 b -2.496830911292882 4.324637996267771 0.000000000000000 c 0.000000000000000 0.000000000000000 9.599606310000000Atomic positions (fractional): 1 Li 0.33333333333333 0.66666666666667 0.75000000000000 6.941 2 Li 0.66666666666667 0.33333333333333 0.25000000000000 6.941 3 F 0.97193444336646 0.62602623566736 0.85752568358988 18.998 4 F 0.34590820769910 0.37397376433264 0.35752568358988 18.998 5 F 0.02806555663354 0.65409179230090 0.35752568358988 18.998 6 F 0.62602623566736 0.97193444336646 0.35752568358988 18.998 7 F 0.37397376433264 0.02806555663354 0.64247431641012 18.998 8 F 0.65409179230090 0.02806555663354 0.85752568358988 18.998 9 F 0.37397376433264 0.34590820769910 0.85752568358988 18.998 10 F 0.97193444336646 0.34590820769910 0.64247431641012 18.998 11 F 0.34590820769910 0.97193444336646 0.14247431641013 18.998 12 F 0.65409179230090 0.62602623566736 0.64247431641012 18.998 13 F 0.02806555663354 0.37397376433264 0.14247431641013 18.998 14 F 0.62602623566736 0.65409179230090 0.14247431641013 18.998 15 Al 0.66666666666667 0.33333333333333 0.75000000000000 26.982 16 Al 0.33333333333333 0.66666666666667 0.25000000000000 26.982 17 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 18 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078-------------------------------- supercell ---------------------------------Lattice vectors: a 9.987323645171527 0.000000000000000 0.000000000000000 b -4.993661822585764 8.649275992535541 0.000000000000000 c 0.000000000000000 0.000000000000000 19.199212620000001Atomic positions (fractional): 1 Li 0.16666666666667 0.33333333333333 0.37500000000000 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.37500000000000 6.941 > 1 3 Li 0.16666666666667 0.83333333333333 0.37500000000000 6.941 > 1 4 Li 0.66666666666667 0.83333333333333 0.37500000000000 6.941 > 1 5 Li 0.16666666666667 0.33333333333333 0.87500000000000 6.941 > 1 6 Li 0.66666666666667 0.33333333333333 0.87500000000000 6.941 > 1 7 Li 0.16666666666667 0.83333333333333 0.87500000000000 6.941 > 1 8 Li 0.66666666666667 0.83333333333333 0.87500000000000 6.941 > 1 9 Li 0.33333333333333 0.16666666666667 0.12500000000000 6.941 > 9 10 Li 0.83333333333333 0.16666666666667 0.12500000000000 6.941 > 9 11 Li 0.33333333333333 0.66666666666667 0.12500000000000 6.941 > 9 12 Li 0.83333333333333 0.66666666666667 0.12500000000000 6.941 > 9 13 Li 0.33333333333333 0.16666666666667 0.62500000000000 6.941 > 9 14 Li 0.83333333333333 0.16666666666667 0.62500000000000 6.941 > 9 15 Li 0.33333333333333 0.66666666666667 0.62500000000000 6.941 > 9 16 Li 0.83333333333333 0.66666666666667 0.62500000000000 6.941 > 9 17 F 0.48596722168323 0.31301311783368 0.42876284179494 18.998 > 17 18 F 0.98596722168323 0.31301311783368 0.42876284179494 18.998 > 17 19 F 0.48596722168323 0.81301311783368 0.42876284179494 18.998 > 17 20 F 0.98596722168323 0.81301311783368 0.42876284179494 18.998 > 17 21 F 0.48596722168323 0.31301311783368 0.92876284179494 18.998 > 17 22 F 0.98596722168323 0.31301311783368 0.92876284179494 18.998 > 17 23 F 0.48596722168323 0.81301311783368 0.92876284179494 18.998 > 17 24 F 0.98596722168323 0.81301311783368 0.92876284179494 18.998 > 17 25 F 0.17295410384955 0.18698688216632 0.17876284179494 18.998 > 25 26 F 0.67295410384955 0.18698688216632 0.17876284179494 18.998 > 25 27 F 0.17295410384955 0.68698688216632 0.17876284179494 18.998 > 25 28 F 0.67295410384955 0.68698688216632 0.17876284179494 18.998 > 25 29 F 0.17295410384955 0.18698688216632 0.67876284179494 18.998 > 25 30 F 0.67295410384955 0.18698688216632 0.67876284179494 18.998 > 25 31 F 0.17295410384955 0.68698688216632 0.67876284179494 18.998 > 25 32 F 0.67295410384955 0.68698688216632 0.67876284179494 18.998 > 25 33 F 0.01403277831677 0.32704589615045 0.17876284179494 18.998 > 33 34 F 0.51403277831677 0.32704589615045 0.17876284179494 18.998 > 33 35 F 0.01403277831677 0.82704589615045 0.17876284179494 18.998 > 33 36 F 0.51403277831677 0.82704589615045 0.17876284179494 18.998 > 33 37 F 0.01403277831677 0.32704589615045 0.67876284179494 18.998 > 33 38 F 0.51403277831677 0.32704589615045 0.67876284179494 18.998 > 33 39 F 0.01403277831677 0.82704589615045 0.67876284179494 18.998 > 33 40 F 0.51403277831677 0.82704589615045 0.67876284179494 18.998 > 33 41 F 0.31301311783368 0.48596722168323 0.17876284179494 18.998 > 41 42 F 0.81301311783368 0.48596722168323 0.17876284179494 18.998 > 41 43 F 0.31301311783368 0.98596722168323 0.17876284179494 18.998 > 41 44 F 0.81301311783368 0.98596722168323 0.17876284179494 18.998 > 41 45 F 0.31301311783368 0.48596722168323 0.67876284179494 18.998 > 41 46 F 0.81301311783368 0.48596722168323 0.67876284179494 18.998 > 41 47 F 0.31301311783368 0.98596722168323 0.67876284179494 18.998 > 41 48 F 0.81301311783368 0.98596722168323 0.67876284179494 18.998 > 41 49 F 0.18698688216632 0.01403277831677 0.32123715820506 18.998 > 49 50 F 0.68698688216632 0.01403277831677 0.32123715820506 18.998 > 49 51 F 0.18698688216632 0.51403277831677 0.32123715820506 18.998 > 49 52 F 0.68698688216632 0.51403277831677 0.32123715820506 18.998 > 49 53 F 0.18698688216632 0.01403277831677 0.82123715820506 18.998 > 49 54 F 0.68698688216632 0.01403277831677 0.82123715820506 18.998 > 49 55 F 0.18698688216632 0.51403277831677 0.82123715820506 18.998 > 49 56 F 0.68698688216632 0.51403277831677 0.82123715820506 18.998 > 49 57 F 0.32704589615045 0.01403277831677 0.42876284179494 18.998 > 57 58 F 0.82704589615045 0.01403277831677 0.42876284179494 18.998 > 57 59 F 0.32704589615045 0.51403277831677 0.42876284179494 18.998 > 57 60 F 0.82704589615045 0.51403277831677 0.42876284179494 18.998 > 57 61 F 0.32704589615045 0.01403277831677 0.92876284179494 18.998 > 57 62 F 0.82704589615045 0.01403277831677 0.92876284179494 18.998 > 57 63 F 0.32704589615045 0.51403277831677 0.92876284179494 18.998 > 57 64 F 0.82704589615045 0.51403277831677 0.92876284179494 18.998 > 57 65 F 0.18698688216632 0.17295410384955 0.42876284179494 18.998 > 65 66 F 0.68698688216632 0.17295410384955 0.42876284179494 18.998 > 65 67 F 0.18698688216632 0.67295410384955 0.42876284179494 18.998 > 65 68 F 0.68698688216632 0.67295410384955 0.42876284179494 18.998 > 65 69 F 0.18698688216632 0.17295410384955 0.92876284179494 18.998 > 65 70 F 0.68698688216632 0.17295410384955 0.92876284179494 18.998 > 65 71 F 0.18698688216632 0.67295410384955 0.92876284179494 18.998 > 65 72 F 0.68698688216632 0.67295410384955 0.92876284179494 18.998 > 65 73 F 0.48596722168323 0.17295410384955 0.32123715820506 18.998 > 73 74 F 0.98596722168323 0.17295410384955 0.32123715820506 18.998 > 73 75 F 0.48596722168323 0.67295410384955 0.32123715820506 18.998 > 73 76 F 0.98596722168323 0.67295410384955 0.32123715820506 18.998 > 73 77 F 0.48596722168323 0.17295410384955 0.82123715820506 18.998 > 73 78 F 0.98596722168323 0.17295410384955 0.82123715820506 18.998 > 73 79 F 0.48596722168323 0.67295410384955 0.82123715820506 18.998 > 73 80 F 0.98596722168323 0.67295410384955 0.82123715820506 18.998 > 73 81 F 0.17295410384955 0.48596722168323 0.07123715820506 18.998 > 81 82 F 0.67295410384955 0.48596722168323 0.07123715820506 18.998 > 81 83 F 0.17295410384955 0.98596722168323 0.07123715820506 18.998 > 81 84 F 0.67295410384955 0.98596722168323 0.07123715820506 18.998 > 81 85 F 0.17295410384955 0.48596722168323 0.57123715820506 18.998 > 81 86 F 0.67295410384955 0.48596722168323 0.57123715820506 18.998 > 81 87 F 0.17295410384955 0.98596722168323 0.57123715820506 18.998 > 81 88 F 0.67295410384955 0.98596722168323 0.57123715820506 18.998 > 81 89 F 0.32704589615045 0.31301311783368 0.32123715820506 18.998 > 89 90 F 0.82704589615045 0.31301311783368 0.32123715820506 18.998 > 89 91 F 0.32704589615045 0.81301311783368 0.32123715820506 18.998 > 89 92 F 0.82704589615045 0.81301311783368 0.32123715820506 18.998 > 89 93 F 0.32704589615045 0.31301311783368 0.82123715820506 18.998 > 89 94 F 0.82704589615045 0.31301311783368 0.82123715820506 18.998 > 89 95 F 0.32704589615045 0.81301311783368 0.82123715820506 18.998 > 89 96 F 0.82704589615045 0.81301311783368 0.82123715820506 18.998 > 89 97 F 0.01403277831677 0.18698688216632 0.07123715820506 18.998 > 97 98 F 0.51403277831677 0.18698688216632 0.07123715820506 18.998 > 97 99 F 0.01403277831677 0.68698688216632 0.07123715820506 18.998 > 97 100 F 0.51403277831677 0.68698688216632 0.07123715820506 18.998 > 97 101 F 0.01403277831677 0.18698688216632 0.57123715820506 18.998 > 97 102 F 0.51403277831677 0.18698688216632 0.57123715820506 18.998 > 97 103 F 0.01403277831677 0.68698688216632 0.57123715820506 18.998 > 97 104 F 0.51403277831677 0.68698688216632 0.57123715820506 18.998 > 97 105 F 0.31301311783368 0.32704589615045 0.07123715820506 18.998 > 105 106 F 0.81301311783368 0.32704589615045 0.07123715820506 18.998 > 105 107 F 0.31301311783368 0.82704589615045 0.07123715820506 18.998 > 105 108 F 0.81301311783368 0.82704589615045 0.07123715820506 18.998 > 105 109 F 0.31301311783368 0.32704589615045 0.57123715820506 18.998 > 105 110 F 0.81301311783368 0.32704589615045 0.57123715820506 18.998 > 105 111 F 0.31301311783368 0.82704589615045 0.57123715820506 18.998 > 105 112 F 0.81301311783368 0.82704589615045 0.57123715820506 18.998 > 105 113 Al 0.33333333333333 0.16666666666667 0.37500000000000 26.982 > 113 114 Al 0.83333333333333 0.16666666666667 0.37500000000000 26.982 > 113 115 Al 0.33333333333333 0.66666666666667 0.37500000000000 26.982 > 113 116 Al 0.83333333333333 0.66666666666667 0.37500000000000 26.982 > 113 117 Al 0.33333333333333 0.16666666666667 0.87500000000000 26.982 > 113 118 Al 0.83333333333333 0.16666666666667 0.87500000000000 26.982 > 113 119 Al 0.33333333333333 0.66666666666667 0.87500000000000 26.982 > 113 120 Al 0.83333333333333 0.66666666666667 0.87500000000000 26.982 > 113 121 Al 0.16666666666667 0.33333333333333 0.12500000000000 26.982 > 121 122 Al 0.66666666666667 0.33333333333333 0.12500000000000 26.982 > 121 123 Al 0.16666666666667 0.83333333333333 0.12500000000000 26.982 > 121 124 Al 0.66666666666667 0.83333333333333 0.12500000000000 26.982 > 121 125 Al 0.16666666666667 0.33333333333333 0.62500000000000 26.982 > 121 126 Al 0.66666666666667 0.33333333333333 0.62500000000000 26.982 > 121 127 Al 0.16666666666667 0.83333333333333 0.62500000000000 26.982 > 121 128 Al 0.66666666666667 0.83333333333333 0.62500000000000 26.982 > 121 129 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 129 130 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 129 131 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 129 132 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 129 133 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 129 134 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 129 135 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 129 136 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 129 137 Ca 0.00000000000000 0.00000000000000 0.25000000000000 40.078 > 137 138 Ca 0.50000000000000 0.00000000000000 0.25000000000000 40.078 > 137 139 Ca 0.00000000000000 0.50000000000000 0.25000000000000 40.078 > 137 140 Ca 0.50000000000000 0.50000000000000 0.25000000000000 40.078 > 137 141 Ca 0.00000000000000 0.00000000000000 0.75000000000000 40.078 > 137 142 Ca 0.50000000000000 0.00000000000000 0.75000000000000 40.078 > 137 143 Ca 0.00000000000000 0.50000000000000 0.75000000000000 40.078 > 137 144 Ca 0.50000000000000 0.50000000000000 0.75000000000000 40.078 > 137----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 2.0787949 0.0000000 0.0000000 0.0000000 2.0787949 0.0000000 0.0000000 0.0000000 2.0833318-------------------------- Born effective charges -------------------------- 1 Li 1.1127284 -0.0000000 0.0000000 0.0000000 1.1127284 0.0000000 0.0000000 -0.0000000 0.9513715 2 Li 1.1127284 -0.0000000 0.0000000 0.0000000 1.1127284 0.0000000 0.0000000 -0.0000000 0.9513715 3 F -0.9347049 -0.0253654 0.0377543 -0.0417230 -1.1591343 -0.3241521 0.0283275 -0.3183518 -1.0392100 4 F -0.9347049 0.0253654 0.0377543 0.0417230 -1.1591343 0.3241521 0.0283275 0.3183518 -1.0392100 5 F -1.1320771 0.0722299 0.2618468 0.0885875 -0.9617622 -0.1947722 0.2615370 -0.1837082 -1.0392100 6 F -1.0739769 -0.1221317 -0.2996011 -0.1057741 -1.0198624 -0.1293798 -0.2898645 -0.1346436 -1.0392100 7 F -1.0739769 -0.1221317 -0.2996011 -0.1057741 -1.0198624 -0.1293798 -0.2898645 -0.1346436 -1.0392100 8 F -1.0739769 0.1221317 -0.2996011 0.1057741 -1.0198624 0.1293798 -0.2898645 0.1346436 -1.0392100 9 F -1.1320771 -0.0722299 0.2618468 -0.0885875 -0.9617622 0.1947722 0.2615370 0.1837082 -1.0392100 10 F -1.1320771 0.0722299 0.2618468 0.0885875 -0.9617622 -0.1947722 0.2615370 -0.1837082 -1.0392100 11 F -1.0739769 0.1221317 -0.2996011 0.1057741 -1.0198624 0.1293798 -0.2898645 0.1346436 -1.0392100 12 F -0.9347049 0.0253654 0.0377543 0.0417230 -1.1591343 0.3241521 0.0283275 0.3183518 -1.0392100 13 F -0.9347049 -0.0253654 0.0377543 -0.0417230 -1.1591343 -0.3241521 0.0283275 -0.3183518 -1.0392100 14 F -1.1320771 -0.0722299 0.2618468 -0.0885875 -0.9617622 0.1947722 0.2615370 0.1837082 -1.0392100 15 Al 2.8346339 -0.0000000 0.0000000 0.0000000 2.8346339 0.0000000 0.0000000 -0.0000000 2.7644270 16 Al 2.8346339 -0.0000000 0.0000000 0.0000000 2.8346339 0.0000000 0.0000000 -0.0000000 2.7644270 17 Ca 2.3341555 0.0529955 0.0000000 -0.0529955 2.3341555 0.0000000 0.0000000 -0.0000000 2.5194616 18 Ca 2.3341555 -0.0529955 0.0000000 0.0529955 2.3341555 0.0000000 0.0000000 -0.0000000 2.5194616----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000021 (xyx) 0.00000021 (xyx) 0.00000021 (xxy)Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 12 12 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: 0.70, Number of G-points: 325, Lambda: 0.11Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/81) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 81Calculating Gamma of ph-isotope with tetrahedron methodFrequency 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 3.065 ( 0.000 0.000 0.000) 0.000 3.065 ( 0.000 0.000 0.000) 0.000 3.679 ( 0.000 0.000 0.000) 0.000 3.679 ( 0.000 0.000 0.000) 0.000 3.849 ( 0.000 0.000 0.000) 0.000 3.911 ( 0.000 0.000 0.000) 0.000 4.842 ( 0.000 0.000 0.000) 0.000 4.842 ( 0.000 0.000 0.000) 0.000 5.516 ( 0.000 0.000 0.000) 0.000 5.516 ( 0.000 0.000 0.000) 0.000 5.747 ( 0.000 0.000 0.000) 0.000 5.747 ( 0.000 0.000 0.000) 0.000 6.928 ( 0.000 0.000 0.000) 0.000 7.041 ( 0.000 0.000 0.000) 0.000 7.197 ( 0.000 0.000 0.000) 0.000 7.197 ( 0.000 0.000 0.000) 0.000 7.936 ( 0.000 0.000 0.000) 0.000 7.936 ( 0.000 0.000 0.000) 0.000 7.980 ( 0.000 0.000 0.000) 0.000 8.115 ( 0.000 0.000 0.000) 0.000 8.163 ( 0.000 0.000 0.000) 0.000 8.384 ( 0.000 0.000 0.000) 0.000 8.675 ( 0.000 0.000 0.000) 0.000 9.279 ( 0.000 0.000 0.000) 0.000 9.279 ( 0.000 0.000 0.000) 0.000 9.541 ( 0.000 0.000 0.000) 0.000 9.541 ( 0.000 0.000 0.000) 0.000 10.755 ( 0.000 0.000 0.000) 0.000 11.124 ( 0.000 0.000 0.000) 0.000 11.124 ( 0.000 0.000 0.000) 0.000 11.231 ( 0.000 0.000 0.000) 0.000 11.231 ( 0.000 0.000 0.000) 0.000 11.620 ( 0.000 0.000 0.000) 0.000 11.880 ( 0.000 0.000 0.000) 0.000 12.002 ( 0.000 0.000 0.000) 0.000 12.267 ( 0.000 0.000 0.000) 0.000 12.267 ( 0.000 0.000 0.000) 0.000 12.421 ( 0.000 0.000 0.000) 0.000 12.421 ( 0.000 0.000 0.000) 0.000 12.875 ( 0.000 0.000 0.000) 0.000 12.875 ( 0.000 0.000 0.000) 0.000 13.047 ( 0.000 0.000 0.000) 0.000 13.047 ( 0.000 0.000 0.000) 0.000 16.509 ( 0.000 0.000 0.000) 0.000 16.891 ( 0.000 0.000 0.000) 0.000 17.189 ( 0.000 0.000 0.000) 0.000 17.189 ( 0.000 0.000 0.000) 0.000 17.382 ( 0.000 0.000 0.000) 0.000 17.382 ( 0.000 0.000 0.000) 0.000 17.387 ( 0.000 0.000 0.000) 0.000 20.911 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/81) =======================q-point: ( 0.08 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.542 ( 23.821 13.753 0.000) 27.506 0.889 ( 39.169 22.614 0.000) 45.228 1.225 ( 54.250 31.321 0.000) 62.643 3.011 ( -4.673 -2.698 0.000) 5.395 3.124 ( 5.139 2.967 0.000) 5.934 3.568 ( -7.727 -4.461 0.000) 8.922 3.846 ( 4.560 2.633 0.000) 5.265 3.860 ( 1.107 0.639 0.000) 1.278 3.963 ( 2.385 1.377 0.000) 2.754 4.789 ( -4.179 -2.413 0.000) 4.825 4.795 ( -4.139 -2.389 0.000) 4.779 5.464 ( -9.770 -5.641 0.000) 11.281 5.640 ( 2.637 1.523 0.000) 3.045 5.689 ( 0.497 0.287 0.000) 0.574 6.155 ( 3.187 1.840 0.000) 3.680 6.643 ( -16.477 -9.513 0.000) 19.026 7.125 ( 4.121 2.379 0.000) 4.758 7.200 ( 2.847 1.644 0.000) 3.288 7.373 ( 7.410 4.278 0.000) 8.556 7.908 ( -2.793 -1.613 0.000) 3.225 7.913 ( -17.255 -9.962 0.000) 19.924 7.988 ( 1.228 0.709 0.000) 1.418 8.155 ( 3.270 1.888 0.000) 3.776 8.436 ( 4.347 2.510 0.000) 5.020 8.629 ( 5.337 3.082 0.000) 6.163 8.633 ( -3.205 -1.850 0.000) 3.701 9.275 ( -0.355 -0.205 0.000) 0.409 9.507 ( -1.173 -0.677 0.000) 1.354 9.532 ( -0.884 -0.510 0.000) 1.021 9.598 ( 2.104 1.215 0.000) 2.430 10.678 ( -6.631 -3.828 0.000) 7.657 10.937 ( -13.409 -7.742 0.000) 15.483 11.102 ( -2.079 -1.200 0.000) 2.400 11.212 ( -1.596 -0.922 0.000) 1.843 11.655 ( 2.787 1.609 0.000) 3.218 11.713 ( 5.483 3.166 0.000) 6.332 11.839 ( -3.946 -2.278 0.000) 4.556 11.853 ( -8.360 -4.827 0.000) 9.653 12.354 ( -1.714 -0.990 0.000) 1.979 12.414 ( -1.192 -0.688 0.000) 1.376 12.421 ( 6.329 3.654 0.000) 7.308 12.945 ( 6.907 3.988 0.000) 7.975 12.985 ( 8.688 5.016 0.000) 10.032 13.101 ( 5.314 3.068 0.000) 6.136 13.133 ( 7.389 4.266 0.000) 8.532 14.076 ( -1.369 -0.791 0.000) 1.581 16.542 ( 2.797 1.615 0.000) 3.230 16.859 ( -2.204 -1.272 0.000) 2.545 17.231 ( 3.732 2.155 0.000) 4.310 17.327 ( -3.175 -1.833 0.000) 3.666 17.438 ( 2.875 1.660 0.000) 3.320 17.489 ( 8.735 5.043 0.000) 10.086 20.443 ( -2.404 -1.388 0.000) 2.775 20.709 ( -17.688 -10.212 0.000) 20.425======================= Grid point 2 (3/81) =======================q-point: ( 0.17 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 199Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.047 ( 21.258 12.273 0.000) 24.546 1.721 ( 35.050 20.236 0.000) 40.472 2.392 ( 50.039 28.890 0.000) 57.780 2.873 ( -7.316 -4.224 0.000) 8.448 3.285 ( 9.143 5.279 0.000) 10.558 3.391 ( -7.625 -4.402 0.000) 8.805 3.905 ( 2.405 1.389 0.000) 2.777 3.962 ( -2.215 -1.279 0.000) 2.558 3.980 ( 7.182 4.146 0.000) 8.293 4.660 ( -7.924 -4.575 0.000) 9.150 4.682 ( -5.450 -3.147 0.000) 6.293 5.103 ( -18.670 -10.779 0.000) 21.558 5.707 ( 2.969 1.714 0.000) 3.428 5.791 ( 6.299 3.637 0.000) 7.274 6.163 ( -5.774 -3.334 0.000) 6.667 6.405 ( -1.038 -0.599 0.000) 1.199 7.112 ( -2.408 -1.390 0.000) 2.781 7.392 ( 10.523 6.075 0.000) 12.151 7.407 ( -6.637 -3.832 0.000) 7.663 7.529 ( -13.228 -7.637 0.000) 15.274 7.798 ( -7.211 -4.163 0.000) 8.326 8.057 ( 4.820 2.783 0.000) 5.566 8.218 ( 0.662 0.382 0.000) 0.764 8.520 ( 1.654 0.955 0.000) 1.910 8.621 ( 5.030 2.904 0.000) 5.809 8.675 ( -1.252 -0.723 0.000) 1.446 9.265 ( -0.437 -0.253 0.000) 0.505 9.493 ( -0.426 -0.246 0.000) 0.492 9.501 ( -1.921 -1.109 0.000) 2.219 9.621 ( -0.520 -0.300 0.000) 0.600 10.479 ( -10.748 -6.205 0.000) 12.411 10.625 ( -13.434 -7.756 0.000) 15.512 11.036 ( -3.546 -2.047 0.000) 4.095 11.163 ( -2.849 -1.645 0.000) 3.290 11.682 ( -5.858 -3.382 0.000) 6.765 11.730 ( 3.547 2.048 0.000) 4.096 11.741 ( -5.437 -3.139 0.000) 6.278 11.810 ( 3.194 1.844 0.000) 3.688 12.296 ( -1.331 -0.768 0.000) 1.537 12.382 ( -0.813 -0.469 0.000) 0.938 12.588 ( 7.180 4.145 0.000) 8.290 13.117 ( 5.867 3.387 0.000) 6.775 13.180 ( 7.841 4.527 0.000) 9.054 13.254 ( 8.925 5.153 0.000) 10.306 13.369 ( 13.102 7.564 0.000) 15.129 14.035 ( -2.225 -1.285 0.000) 2.570 16.622 ( 3.931 2.269 0.000) 4.539 16.823 ( -0.387 -0.224 0.000) 0.447 17.242 ( -4.333 -2.501 0.000) 5.003 17.346 ( 6.260 3.614 0.000) 7.228 17.519 ( 4.420 2.552 0.000) 5.104 17.732 ( 12.432 7.178 0.000) 14.356 20.159 ( -30.763 -17.761 0.000) 35.522 20.365 ( -4.513 -2.606 0.000) 5.212======================= Grid point 3 (4/81) =======================q-point: ( 0.25 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.479 ( 17.469 10.086 0.000) 20.172 2.415 ( 25.919 14.964 0.000) 29.929 2.700 ( -7.553 -4.361 0.000) 8.721 3.240 ( -5.756 -3.323 0.000) 6.646 3.386 ( 34.018 19.640 0.000) 39.281 3.541 ( 16.806 9.703 0.000) 19.405 3.782 ( -11.263 -6.503 0.000) 13.006 4.017 ( 2.122 1.225 0.000) 2.451 4.170 ( 10.774 6.220 0.000) 12.441 4.455 ( -9.637 -5.564 0.000) 11.128 4.492 ( -9.770 -5.641 0.000) 11.281 4.838 ( -1.926 -1.112 0.000) 2.225 5.749 ( 0.465 0.269 0.000) 0.537 5.927 ( 5.469 3.157 0.000) 6.315 6.026 ( -4.455 -2.572 0.000) 5.144 6.436 ( -0.205 -0.119 0.000) 0.237 7.047 ( -3.413 -1.970 0.000) 3.941 7.186 ( -5.205 -3.005 0.000) 6.010 7.346 ( -7.907 -4.565 0.000) 9.130 7.501 ( -7.993 -4.615 0.000) 9.230 7.678 ( 2.552 1.473 0.000) 2.947 8.157 ( -4.457 -2.573 0.000) 5.146 8.170 ( 4.383 2.530 0.000) 5.060 8.597 ( -4.832 -2.790 0.000) 5.580 8.612 ( 6.741 3.892 0.000) 7.784 8.778 ( 7.608 4.393 0.000) 8.785 9.253 ( -0.965 -0.557 0.000) 1.114 9.448 ( -5.096 -2.942 0.000) 5.885 9.454 ( -1.820 -1.051 0.000) 2.102 9.567 ( -3.817 -2.204 0.000) 4.408 10.230 ( -10.533 -6.081 0.000) 12.162 10.374 ( -8.816 -5.090 0.000) 10.179 10.961 ( -2.851 -1.646 0.000) 3.292 11.081 ( -4.632 -2.674 0.000) 5.349 11.587 ( -3.241 -1.871 0.000) 3.743 11.609 ( -5.779 -3.337 0.000) 6.673 11.801 ( 2.653 1.532 0.000) 3.064 11.857 ( 1.129 0.652 0.000) 1.304 12.325 ( 4.028 2.326 0.000) 4.651 12.404 ( 2.903 1.676 0.000) 3.352 12.728 ( 5.198 3.001 0.000) 6.002 13.183 ( 0.627 0.362 0.000) 0.724 13.342 ( 7.103 4.101 0.000) 8.202 13.459 ( 8.255 4.766 0.000) 9.532 13.663 ( 12.435 7.179 0.000) 14.359 13.983 ( -2.355 -1.360 0.000) 2.720 16.683 ( 1.154 0.667 0.000) 1.333 16.868 ( 4.445 2.566 0.000) 5.133 17.145 ( -4.035 -2.329 0.000) 4.659 17.496 ( 6.938 4.006 0.000) 8.012 17.630 ( 5.383 3.108 0.000) 6.216 18.016 ( 12.597 7.273 0.000) 14.546 19.393 ( -36.809 -21.252 0.000) 42.503 20.247 ( -5.961 -3.442 0.000) 6.883======================= Grid point 4 (5/81) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 199Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.832 ( 14.639 8.452 0.000) 16.904 2.456 ( -11.262 -6.502 0.000) 13.004 2.909 ( 12.975 7.491 0.000) 14.983 3.168 ( 1.761 1.017 0.000) 2.034 3.448 ( -18.085 -10.441 0.000) 20.882 3.764 ( 11.997 6.926 0.000) 13.853 3.868 ( -11.501 -6.640 0.000) 13.281 4.003 ( 11.047 6.378 0.000) 12.756 4.241 ( -5.446 -3.144 0.000) 6.289 4.492 ( 5.711 3.297 0.000) 6.595 4.590 ( 23.198 13.393 0.000) 26.786 4.983 ( 14.774 8.530 0.000) 17.059 5.733 ( -1.563 -0.903 0.000) 1.805 5.923 ( -5.232 -3.020 0.000) 6.041 6.020 ( 2.804 1.619 0.000) 3.237 6.420 ( 1.115 0.644 0.000) 1.288 6.949 ( -6.213 -3.587 0.000) 7.174 7.154 ( -8.654 -4.996 0.000) 9.993 7.212 ( -14.130 -8.158 0.000) 16.316 7.237 ( 7.515 4.339 0.000) 8.677 7.701 ( -3.264 -1.884 0.000) 3.769 8.114 ( 1.286 0.742 0.000) 1.485 8.197 ( -2.907 -1.678 0.000) 3.356 8.513 ( -1.809 -1.045 0.000) 2.089 8.785 ( 8.189 4.728 0.000) 9.456 8.932 ( 5.905 3.409 0.000) 6.819 9.205 ( -3.334 -1.925 0.000) 3.850 9.256 ( -10.621 -6.132 0.000) 12.264 9.445 ( 1.194 0.690 0.000) 1.379 9.453 ( -6.941 -4.008 0.000) 8.015 10.050 ( -5.284 -3.051 0.000) 6.102 10.234 ( -4.033 -2.329 0.000) 4.657 10.904 ( -3.785 -2.185 0.000) 4.371 10.970 ( -3.572 -2.062 0.000) 4.125 11.462 ( -6.124 -3.536 0.000) 7.072 11.563 ( -0.230 -0.133 0.000) 0.265 11.843 ( 1.063 0.614 0.000) 1.227 11.872 ( 0.568 0.328 0.000) 0.655 12.463 ( 7.810 4.509 0.000) 9.018 12.500 ( 5.321 3.072 0.000) 6.144 12.813 ( 2.385 1.377 0.000) 2.754 13.161 ( -2.276 -1.314 0.000) 2.629 13.505 ( 7.546 4.356 0.000) 8.713 13.606 ( 5.090 2.939 0.000) 5.878 13.898 ( 8.334 4.812 0.000) 9.623 13.931 ( -2.358 -1.361 0.000) 2.723 16.692 ( 0.124 0.071 0.000) 0.143 16.986 ( 5.375 3.103 0.000) 6.206 17.080 ( -1.410 -0.814 0.000) 1.628 17.641 ( 5.781 3.337 0.000) 6.675 17.746 ( 4.729 2.730 0.000) 5.461 18.275 ( 10.343 5.972 0.000) 11.943 18.577 ( -35.206 -20.326 0.000) 40.652 20.109 ( -6.159 -3.556 0.000) 7.112======================= Grid point 5 (6/81) =======================q-point: ( 0.42 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.142 ( 11.369 6.564 0.000) 13.128 2.194 ( -8.781 -5.070 0.000) 10.140 2.981 ( -5.233 -3.021 0.000) 6.043 3.049 ( -12.143 -7.011 0.000) 14.021 3.360 ( 9.696 5.598 0.000) 11.196 3.655 ( -7.007 -4.045 0.000) 8.091 3.943 ( 1.122 0.648 0.000) 1.295 4.090 ( 4.569 2.638 0.000) 5.276 4.254 ( 3.315 1.914 0.000) 3.828 4.582 ( 2.250 1.299 0.000) 2.598 4.976 ( 8.038 4.640 0.000) 9.281 5.431 ( 22.505 12.993 0.000) 25.986 5.729 ( 2.775 1.602 0.000) 3.204 5.849 ( -1.115 -0.644 0.000) 1.288 6.053 ( 0.357 0.206 0.000) 0.413 6.479 ( 2.868 1.656 0.000) 3.312 6.694 ( -16.493 -9.522 0.000) 19.045 6.993 ( -5.036 -2.907 0.000) 5.815 6.994 ( -4.775 -2.757 0.000) 5.513 7.434 ( 8.700 5.023 0.000) 10.046 7.594 ( -4.491 -2.593 0.000) 5.186 8.070 ( -6.895 -3.981 0.000) 7.962 8.163 ( 2.028 1.171 0.000) 2.342 8.494 ( -0.817 -0.472 0.000) 0.944 8.948 ( 5.687 3.284 0.000) 6.567 9.026 ( 1.988 1.148 0.000) 2.296 9.046 ( -7.167 -4.138 0.000) 8.275 9.137 ( -1.705 -0.985 0.000) 1.969 9.283 ( -6.879 -3.972 0.000) 7.943 9.490 ( 2.288 1.321 0.000) 2.642 9.984 ( -1.308 -0.755 0.000) 1.510 10.177 ( -1.395 -0.805 0.000) 1.611 10.770 ( -6.118 -3.532 0.000) 7.065 10.963 ( 1.308 0.755 0.000) 1.510 11.340 ( -4.485 -2.590 0.000) 5.179 11.571 ( 0.573 0.331 0.000) 0.662 11.851 ( -0.005 -0.003 0.000) 0.006 11.888 ( 0.630 0.364 0.000) 0.727 12.617 ( 4.626 2.671 0.000) 5.341 12.641 ( 7.497 4.328 0.000) 8.657 12.831 ( -0.764 -0.441 0.000) 0.882 13.098 ( -2.946 -1.701 0.000) 3.402 13.667 ( 6.390 3.689 0.000) 7.379 13.696 ( 3.154 1.821 0.000) 3.642 13.877 ( -2.385 -1.377 0.000) 2.754 14.028 ( 3.385 1.955 0.000) 3.909 16.694 ( 0.088 0.051 0.000) 0.102 17.086 ( 3.260 1.882 0.000) 3.764 17.105 ( 4.226 2.440 0.000) 4.880 17.710 ( -4.388 -2.533 0.000) 5.067 17.828 ( 2.445 1.411 0.000) 2.823 17.913 ( -18.677 -10.783 0.000) 21.566 18.462 ( 6.101 3.522 0.000) 7.045 19.989 ( -4.239 -2.447 0.000) 4.894======================= Grid point 6 (7/81) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 109Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.050 ( 0.000 0.000 0.000) 0.000 2.361 ( 0.000 0.000 0.000) 0.000 2.763 ( 0.000 0.000 0.000) 0.000 3.008 ( 0.000 0.000 0.000) 0.000 3.483 ( 0.000 0.000 0.000) 0.000 3.568 ( 0.000 0.000 0.000) 0.000 3.928 ( 0.000 0.000 0.000) 0.000 4.179 ( 0.000 0.000 0.000) 0.000 4.288 ( 0.000 0.000 0.000) 0.000 4.605 ( 0.000 0.000 0.000) 0.000 5.029 ( 0.000 0.000 0.000) 0.000 5.777 ( 0.000 0.000 0.000) 0.000 5.787 ( 0.000 0.000 0.000) 0.000 5.845 ( -0.000 -0.000 0.000) 0.000 6.056 ( -0.000 -0.000 0.000) 0.000 6.413 ( 0.000 0.000 0.000) 0.000 6.513 ( 0.000 0.000 0.000) 0.000 6.941 ( 0.000 0.000 0.000) 0.000 6.946 ( 0.000 0.000 0.000) 0.000 7.541 ( 0.000 0.000 0.000) 0.000 7.553 ( -0.000 -0.000 0.000) 0.000 7.971 ( 0.000 0.000 0.000) 0.000 8.186 ( 0.000 0.000 0.000) 0.000 8.479 ( 0.000 0.000 0.000) 0.000 8.962 ( 0.000 0.000 0.000) 0.000 9.020 ( -0.000 -0.000 0.000) 0.000 9.025 ( 0.000 0.000 0.000) 0.000 9.132 ( 0.000 0.000 0.000) 0.000 9.201 ( 0.000 0.000 0.000) 0.000 9.521 ( 0.000 0.000 0.000) 0.000 9.972 ( 0.000 0.000 0.000) 0.000 10.163 ( 0.000 0.000 0.000) 0.000 10.693 ( 0.000 0.000 0.000) 0.000 10.985 ( 0.000 0.000 0.000) 0.000 11.284 ( 0.000 0.000 0.000) 0.000 11.578 ( 0.000 0.000 0.000) 0.000 11.851 ( 0.000 0.000 0.000) 0.000 11.895 ( 0.000 0.000 0.000) 0.000 12.676 ( 0.000 0.000 0.000) 0.000 12.769 ( 0.000 0.000 0.000) 0.000 12.781 ( -0.000 -0.000 0.000) 0.000 13.058 ( 0.000 0.000 0.000) 0.000 13.738 ( 0.000 0.000 0.000) 0.000 13.748 ( 0.000 0.000 0.000) 0.000 13.842 ( -0.000 -0.000 0.000) 0.000 14.061 ( 0.000 0.000 0.000) 0.000 16.696 ( 0.000 0.000 0.000) 0.000 17.123 ( 0.000 0.000 0.000) 0.000 17.232 ( 0.000 0.000 0.000) 0.000 17.444 ( 0.000 0.000 0.000) 0.000 17.836 ( 0.000 0.000 0.000) 0.000 17.854 ( 0.000 0.000 0.000) 0.000 18.532 ( 0.000 0.000 0.000) 0.000 19.939 ( 0.000 0.000 0.000) 0.000======================= Grid point 14 (8/81) =======================q-point: ( 0.08 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.209 ( 17.937 31.067 17.145) 39.760 1.226 ( 16.415 28.432 17.590) 37.246 2.124 ( 29.892 51.775 -19.185) 62.787 2.965 ( -1.594 -2.761 -11.878) 12.299 3.148 ( -0.084 -0.146 20.349) 20.350 3.483 ( -1.906 -3.301 -10.059) 10.756 3.874 ( 2.190 3.793 -14.015) 14.684 3.951 ( 3.459 5.990 15.075) 16.586 3.969 ( -1.005 -1.741 0.718) 2.134 4.647 ( -4.992 -8.646 7.601) 12.548 4.770 ( -1.790 -3.101 -4.780) 5.972 5.234 ( -9.985 -17.294 -10.579) 22.599 5.658 ( 0.178 0.309 3.298) 3.317 5.743 ( 2.624 4.544 -0.756) 5.301 6.229 ( 2.685 4.651 -2.389) 5.878 6.387 ( -7.259 -12.574 -3.272) 14.883 7.197 ( 0.442 0.766 9.619) 9.660 7.262 ( 3.640 6.305 6.729) 9.914 7.447 ( 1.714 2.969 -7.710) 8.438 7.612 ( -10.693 -18.520 2.698) 21.555 7.854 ( -2.530 -4.382 -7.331) 8.907 8.029 ( 2.211 3.829 0.426) 4.442 8.203 ( 0.848 1.469 -1.462) 2.239 8.523 ( 3.394 5.878 -1.527) 6.957 8.557 ( -1.179 -2.042 -9.041) 9.343 8.708 ( 0.812 1.407 15.983) 16.066 9.272 ( -0.278 -0.481 -0.329) 0.646 9.430 ( -2.372 -4.108 0.265) 4.751 9.579 ( 0.627 1.086 -0.313) 1.292 9.602 ( 0.350 0.606 0.594) 0.918 10.544 ( -5.445 -9.431 0.551) 10.904 10.689 ( -8.639 -14.963 0.851) 17.298 11.088 ( -1.082 -1.874 -1.433) 2.595 11.167 ( -1.730 -2.996 0.724) 3.535 11.707 ( 1.942 3.364 -1.603) 4.202 11.712 ( -3.115 -5.395 0.662) 6.265 11.772 ( -2.770 -4.798 -0.158) 5.543 11.806 ( 1.710 2.961 0.757) 3.502 12.317 ( -1.488 -2.578 -3.055) 4.266 12.376 ( -1.358 -2.352 1.145) 2.947 12.550 ( 4.637 8.031 2.703) 9.659 13.023 ( 3.858 6.683 -9.284) 12.072 13.187 ( 2.881 4.991 -1.009) 5.850 13.191 ( 7.031 12.178 2.689) 14.317 13.299 ( 7.018 12.155 -0.517) 14.045 14.039 ( -1.641 -2.843 11.247) 11.716 16.600 ( 2.456 4.254 -0.197) 4.916 16.817 ( -1.280 -2.217 1.057) 2.769 17.269 ( -2.222 -3.849 0.208) 4.450 17.337 ( 4.370 7.570 -1.356) 8.845 17.477 ( 1.942 3.363 -1.596) 4.198 17.662 ( 6.665 11.544 -0.970) 13.365 20.334 ( -16.104 -27.892 0.537) 32.211 20.389 ( -2.396 -4.149 -1.548) 5.035======================= Grid point 15 (9/81) =======================q-point: ( 0.17 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.549 ( 0.072 33.211 12.989) 35.660 2.011 ( 36.912 12.825 13.663) 41.396 2.846 ( -8.185 3.757 -4.641) 10.131 3.094 ( 25.385 30.562 -7.249) 40.386 3.170 ( 10.024 -3.264 2.479) 10.830 3.458 ( 0.405 2.212 -2.187) 3.137 3.871 ( -6.317 -5.887 2.096) 8.885 4.014 ( 6.034 9.814 -12.499) 16.999 4.084 ( 6.030 5.878 9.788) 12.911 4.463 ( -5.632 -11.354 12.453) 17.768 4.675 ( -9.104 -0.856 -11.056) 14.348 4.883 ( -9.417 -11.894 -14.351) 20.882 5.656 ( 2.861 -6.240 0.868) 6.919 5.818 ( 3.939 -1.369 -0.468) 4.196 6.180 ( -8.579 5.200 -0.622) 10.051 6.360 ( 6.422 -3.821 -1.528) 7.628 7.152 ( -6.543 1.279 9.211) 11.371 7.250 ( -7.275 -7.332 2.189) 10.558 7.359 ( -0.871 -6.526 6.965) 9.584 7.540 ( 2.951 5.194 -2.421) 6.445 7.736 ( -6.381 -1.524 -6.964) 9.568 8.130 ( 3.924 4.385 -0.608) 5.916 8.152 ( -2.194 -7.421 -3.833) 8.636 8.592 ( 2.432 7.052 -0.317) 7.467 8.643 ( -0.567 -0.211 1.663) 1.770 8.694 ( 3.853 1.275 4.490) 6.052 9.247 ( -1.052 -2.250 -0.404) 2.516 9.354 ( -0.124 -8.072 -0.347) 8.080 9.582 ( -2.157 3.577 -1.097) 4.319 9.602 ( -1.596 -0.711 -0.078) 1.748 10.332 ( -9.471 -8.335 1.514) 12.707 10.419 ( -6.707 -12.206 0.842) 13.953 11.023 ( -4.457 -0.608 -2.421) 5.108 11.108 ( -2.037 -3.474 0.926) 4.132 11.621 ( -2.820 -2.355 0.303) 3.687 11.659 ( -4.493 -4.916 -0.195) 6.663 11.777 ( 2.377 2.490 -0.859) 3.549 11.859 ( 0.954 2.893 1.171) 3.264 12.297 ( 0.637 0.849 -2.518) 2.733 12.348 ( 2.056 -2.681 0.525) 3.419 12.697 ( 4.252 6.460 3.220) 8.377 13.176 ( 7.628 2.838 -9.164) 12.257 13.232 ( -2.031 3.851 0.734) 4.416 13.440 ( 10.273 6.188 2.686) 12.290 13.561 ( 7.776 14.642 -3.592) 16.963 13.983 ( -0.865 -3.415 11.907) 12.417 16.684 ( 1.540 3.868 -0.140) 4.166 16.801 ( 2.621 -1.573 1.733) 3.514 17.186 ( -3.293 -3.040 -1.119) 4.619 17.489 ( 3.217 10.161 -0.957) 10.701 17.579 ( 5.565 4.349 -1.338) 7.188 17.907 ( 9.591 10.165 -1.241) 14.031 19.679 ( -26.844 -30.970 1.715) 41.021 20.287 ( -4.174 -5.497 -2.014) 7.190======================= Grid point 16 (10/81) =======================q-point: ( 0.25 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.845 ( 2.477 24.062 8.404) 25.608 2.644 ( 10.547 11.476 2.461) 15.779 2.694 ( 1.269 3.316 4.683) 5.877 3.154 ( 0.469 -3.777 -1.213) 3.995 3.553 ( 10.917 -3.982 -0.634) 11.638 3.629 ( -11.023 -6.775 3.314) 13.356 3.781 ( 15.689 10.214 4.172) 19.180 4.123 ( -8.852 7.195 -4.732) 12.349 4.265 ( 1.354 -0.906 -1.727) 2.374 4.284 ( 1.201 -6.502 11.122) 12.939 4.590 ( 8.448 18.107 -24.356) 31.503 4.846 ( 7.980 1.010 -5.573) 9.785 5.629 ( 3.715 -10.210 -1.322) 10.945 5.861 ( 4.843 -5.310 1.337) 7.310 6.068 ( -8.648 -2.375 1.007) 9.024 6.403 ( 2.444 0.396 0.771) 2.593 7.047 ( -6.481 -1.819 4.105) 7.884 7.158 ( 3.097 -1.242 1.728) 3.758 7.278 ( -7.289 3.074 8.445) 11.572 7.430 ( -13.759 -2.089 -5.782) 15.070 7.737 ( -0.543 2.920 0.612) 3.033 8.043 ( 1.575 -8.203 -3.224) 8.954 8.232 ( 1.055 3.713 -1.627) 4.189 8.529 ( -4.149 -5.047 5.546) 8.570 8.725 ( 5.062 6.437 -0.021) 8.189 8.860 ( 7.597 5.008 -0.762) 9.130 9.197 ( -0.809 -5.146 -0.893) 5.285 9.260 ( -1.383 -8.970 -1.621) 9.220 9.517 ( -6.791 0.195 0.260) 6.799 9.572 ( -4.868 3.883 -1.211) 6.344 10.106 ( -7.351 -6.590 1.530) 9.991 10.242 ( -3.022 -8.244 0.515) 8.796 10.951 ( -3.558 -0.564 -3.349) 4.919 11.025 ( -4.172 -2.192 1.600) 4.977 11.527 ( -5.670 -3.839 0.660) 6.879 11.577 ( -1.432 -0.259 0.821) 1.671 11.833 ( 2.009 1.440 -0.055) 2.472 11.890 ( -0.888 3.339 -0.266) 3.465 12.352 ( 5.623 -0.877 0.815) 5.749 12.419 ( 7.236 1.301 -3.051) 7.960 12.807 ( 2.136 4.842 2.747) 5.962 13.191 ( -3.677 -1.067 2.940) 4.828 13.321 ( 8.528 -1.330 -7.246) 11.270 13.630 ( 7.377 2.288 2.417) 8.093 13.787 ( 2.798 9.429 0.180) 9.837 13.980 ( 2.506 3.406 3.469) 5.469 16.706 ( -1.060 1.558 0.349) 1.916 16.876 ( 6.521 -1.714 2.162) 7.081 17.119 ( -2.231 -0.149 -2.256) 3.176 17.638 ( 2.911 9.865 -0.581) 10.302 17.724 ( 4.528 6.953 -0.974) 8.354 18.158 ( 10.072 6.754 -2.730) 12.431 18.897 ( -30.486 -29.000 4.594) 42.326 20.151 ( -4.907 -6.522 -2.231) 8.461======================= Grid point 17 (11/81) =======================q-point: ( 0.33 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.107 ( 5.135 17.593 4.896) 18.970 2.442 ( -18.067 5.149 -4.257) 19.263 3.018 ( 2.616 5.787 0.791) 6.400 3.207 ( 7.049 1.324 0.804) 7.217 3.274 ( -13.433 -4.870 5.083) 15.166 3.683 ( 2.288 -6.589 -0.187) 6.977 3.901 ( 0.963 2.087 3.869) 4.500 4.094 ( -4.164 0.683 -7.976) 9.023 4.161 ( 6.574 -2.699 -2.002) 7.383 4.410 ( 11.037 -6.566 12.769) 18.110 5.009 ( 4.787 19.377 -5.574) 20.723 5.150 ( 23.508 7.239 -15.228) 28.930 5.609 ( 5.862 -7.695 -3.391) 10.251 5.793 ( -3.391 -9.818 5.073) 11.559 5.985 ( 5.610 -4.799 0.657) 7.412 6.453 ( 0.749 1.785 1.622) 2.525 6.874 ( -10.972 -4.434 -1.926) 11.990 7.126 ( -11.437 1.077 -1.972) 11.656 7.219 ( -12.896 9.593 8.317) 18.097 7.300 ( 8.845 2.001 0.980) 9.121 7.688 ( -4.901 1.161 -1.243) 5.188 8.038 ( 3.305 -6.729 -0.496) 7.513 8.203 ( -4.861 0.346 -0.435) 4.893 8.467 ( 1.123 -3.937 3.606) 5.455 8.877 ( 5.911 3.918 0.079) 7.092 8.998 ( 3.883 2.705 -1.339) 4.919 9.109 ( -3.501 -5.497 -0.681) 6.553 9.158 ( -2.586 -1.910 -3.131) 4.487 9.394 ( -8.192 -0.914 2.251) 8.545 9.515 ( -4.138 3.224 -0.702) 5.292 9.985 ( -1.524 -3.766 -0.282) 4.073 10.148 ( 0.059 -6.642 0.295) 6.648 10.857 ( -6.398 -1.603 -0.253) 6.600 10.980 ( -0.852 2.521 -0.362) 2.686 11.399 ( -5.583 -2.833 0.961) 6.334 11.568 ( -0.010 0.384 1.515) 1.563 11.871 ( 1.348 0.586 0.293) 1.499 11.898 ( -2.334 4.215 -1.213) 4.968 12.461 ( 9.210 -2.769 3.132) 10.115 12.586 ( 8.412 4.011 -6.741) 11.502 12.846 ( -1.419 1.054 1.197) 2.135 13.112 ( -1.937 -3.936 5.803) 7.275 13.441 ( 9.234 -4.320 -5.029) 11.368 13.719 ( 5.368 -7.180 1.041) 9.025 13.841 ( -2.216 6.763 7.683) 10.473 14.120 ( 1.718 12.966 -7.055) 14.861 16.698 ( -0.698 0.251 -0.377) 0.832 16.951 ( 6.239 -4.436 3.663) 8.487 17.127 ( 1.025 3.623 -3.505) 5.144 17.758 ( -0.162 7.450 -0.497) 7.468 17.846 ( 1.394 7.608 -0.418) 7.746 18.140 ( -22.993 -21.515 -6.326) 32.118 18.386 ( 5.765 3.750 9.884) 12.041 20.010 ( -3.839 -6.708 -2.386) 8.089======================= Grid point 18 (12/81) =======================q-point: ( 0.42 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.222 ( -13.207 9.973 -7.237) 18.063 2.357 ( 4.698 11.616 0.904) 12.562 2.915 ( -14.888 -0.205 5.275) 15.797 3.053 ( -2.254 4.925 -1.585) 5.644 3.454 ( 6.243 4.952 4.032) 8.930 3.592 ( -3.656 -2.297 0.010) 4.317 3.905 ( 0.509 -3.850 0.432) 3.908 4.115 ( 4.957 -1.735 -1.746) 5.534 4.234 ( 3.819 -3.847 -2.556) 5.993 4.509 ( 7.598 -6.209 5.166) 11.090 5.114 ( -4.083 7.114 -0.350) 8.210 5.486 ( 18.113 -15.526 -5.418) 24.464 5.665 ( 3.996 -13.800 11.213) 18.225 5.776 ( 8.969 8.400 -10.308) 16.039 6.081 ( 4.025 3.735 -2.298) 5.952 6.435 ( -0.554 -5.376 2.715) 6.048 6.606 ( -13.989 -0.146 -9.459) 16.888 7.015 ( -5.360 5.329 -0.906) 7.612 7.141 ( -10.665 14.368 9.973) 20.485 7.443 ( 6.195 -1.548 0.397) 6.397 7.656 ( -3.378 6.458 -0.877) 7.341 7.975 ( -1.999 -4.600 1.247) 5.168 8.164 ( 0.754 -1.838 -1.303) 2.375 8.447 ( 1.247 -4.292 2.793) 5.271 8.931 ( 0.809 -2.548 0.837) 2.801 9.034 ( -1.204 -1.005 -2.513) 2.962 9.064 ( 0.344 4.055 -1.744) 4.428 9.144 ( -1.026 2.368 -1.348) 2.912 9.263 ( -5.896 2.320 3.332) 7.159 9.505 ( 0.432 -0.537 -0.794) 1.052 9.954 ( 0.728 -2.326 -1.649) 2.943 10.107 ( 2.463 -6.406 0.089) 6.864 10.754 ( -5.144 2.382 2.561) 6.220 11.011 ( -0.402 4.116 -1.535) 4.411 11.301 ( -2.903 -1.497 0.492) 3.303 11.575 ( 0.357 -0.073 2.343) 2.371 11.889 ( 0.617 -0.130 0.244) 0.676 11.898 ( -2.793 4.762 -1.488) 5.718 12.588 ( 8.280 -2.897 5.941) 10.594 12.721 ( 3.276 -0.749 -9.369) 9.954 12.797 ( -1.454 -1.665 -3.069) 3.782 13.066 ( -0.533 -1.458 8.704) 8.842 13.544 ( 8.953 -6.650 -2.857) 11.513 13.685 ( 3.683 -12.548 0.167) 13.079 13.875 ( -2.366 6.719 8.463) 11.062 14.233 ( -4.391 14.043 -9.601) 17.569 16.691 ( 0.065 -0.517 -1.312) 1.411 17.015 ( 6.803 -5.889 2.828) 9.431 17.209 ( 4.192 4.705 -2.781) 6.888 17.538 ( -14.863 -11.906 0.795) 19.060 17.899 ( -2.627 6.766 1.331) 7.379 17.910 ( -2.327 6.860 -0.295) 7.250 18.503 ( 3.647 0.613 3.034) 4.783 19.913 ( -0.220 -5.305 -2.478) 5.860======================= Grid point 27 (13/81) =======================q-point: ( 0.17 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 199Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.073 ( 8.818 15.274 9.369) 19.971 2.362 ( 15.938 27.606 16.985) 36.119 2.970 ( 2.815 4.876 -9.874) 11.366 2.994 ( -1.832 -3.174 6.548) 7.504 3.422 ( -2.345 -4.062 1.578) 4.949 3.681 ( 11.452 19.835 -5.573) 23.572 3.713 ( -6.049 -10.477 5.045) 13.107 4.174 ( 2.120 3.672 17.741) 18.240 4.246 ( -6.228 -10.786 13.399) 18.294 4.349 ( 11.641 20.163 -27.357) 35.923 4.619 ( -6.442 -11.158 -23.098) 26.449 4.740 ( 4.979 8.625 -13.548) 16.815 5.538 ( -2.606 -4.514 4.584) 6.941 5.780 ( -0.933 -1.617 0.458) 1.922 6.156 ( -7.559 -13.092 1.139) 15.160 6.366 ( 4.263 7.384 0.287) 8.531 7.094 ( -0.627 -1.086 8.253) 8.348 7.122 ( -4.621 -8.004 -1.625) 9.384 7.383 ( 2.975 5.152 13.161) 14.443 7.535 ( -2.847 -4.931 -7.469) 9.392 7.780 ( 2.544 4.405 0.252) 5.093 7.956 ( -6.047 -10.473 -4.869) 13.036 8.238 ( 3.253 5.634 -2.030) 6.815 8.545 ( -4.798 -8.310 8.359) 12.726 8.725 ( 2.629 4.553 -1.158) 5.383 8.806 ( 5.886 10.195 -0.926) 11.808 9.179 ( -2.554 -4.424 -0.998) 5.205 9.211 ( -3.406 -5.899 -0.822) 6.860 9.593 ( -0.767 -1.328 -1.296) 2.008 9.628 ( 0.728 1.261 -1.657) 2.206 10.180 ( -6.334 -10.970 0.904) 12.700 10.181 ( -4.701 -8.143 2.379) 9.699 10.985 ( -1.677 -2.905 -4.869) 5.912 11.050 ( -1.514 -2.622 2.286) 3.794 11.561 ( -2.926 -5.069 1.311) 5.998 11.590 ( -0.640 -1.108 0.396) 1.340 11.820 ( 1.114 1.929 -0.363) 2.257 11.926 ( 2.291 3.969 0.746) 4.643 12.296 ( -0.710 -1.230 1.267) 1.903 12.344 ( 2.058 3.564 -5.112) 6.563 12.817 ( 3.256 5.639 3.836) 7.558 13.233 ( 0.087 0.151 -2.468) 2.474 13.252 ( -0.402 -0.697 -1.940) 2.100 13.520 ( 2.117 3.668 1.823) 4.611 13.874 ( 9.265 16.047 -7.909) 20.147 13.937 ( -0.347 -0.601 13.664) 13.682 16.755 ( 1.178 2.040 -0.021) 2.355 16.777 ( 0.015 0.025 2.476) 2.476 17.137 ( -0.919 -1.592 -1.922) 2.659 17.694 ( 4.754 8.234 -2.345) 9.793 17.699 ( 5.862 10.153 -0.063) 11.724 18.100 ( 5.404 9.361 -3.260) 11.290 19.014 ( -21.105 -36.555 5.621) 42.582 20.158 ( -4.424 -7.663 -3.248) 9.426======================= Grid point 28 (14/81) =======================q-point: ( 0.25 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.271 ( -0.566 17.868 6.252) 18.939 2.785 ( -5.700 6.377 3.509) 9.245 2.953 ( 8.971 19.741 4.538) 22.153 3.129 ( 3.234 1.624 -3.662) 5.149 3.419 ( 4.245 -5.969 0.304) 7.331 3.482 ( -2.554 -8.587 5.557) 10.542 3.914 ( 4.014 3.888 -2.146) 5.986 4.058 ( -3.419 -8.693 6.655) 11.469 4.212 ( 2.339 -4.773 10.884) 12.112 4.308 ( -15.486 5.651 -12.334) 20.588 4.729 ( 20.270 -11.206 -14.446) 27.297 5.138 ( 12.556 29.417 -22.682) 39.211 5.513 ( 1.625 1.793 6.956) 7.365 5.761 ( 0.150 -6.032 3.202) 6.830 5.846 ( -5.316 -16.758 3.401) 17.906 6.474 ( 0.503 3.017 0.654) 3.128 6.978 ( -5.849 -2.479 -1.189) 6.463 7.145 ( 5.317 -0.375 5.489) 7.651 7.390 ( -9.815 4.346 -6.344) 12.469 7.471 ( -3.474 7.501 9.367) 12.493 7.750 ( -4.273 -2.689 -2.818) 5.782 7.892 ( 5.620 -5.482 0.345) 7.858 8.288 ( -4.318 0.643 0.372) 4.382 8.394 ( -0.028 -8.195 5.182) 9.696 8.837 ( 4.723 6.372 -0.403) 7.942 8.953 ( 2.992 1.348 -1.920) 3.802 9.092 ( -1.976 -4.917 -1.305) 5.458 9.165 ( 1.258 1.596 -0.667) 2.139 9.523 ( -6.505 0.130 -0.389) 6.517 9.623 ( -3.228 0.527 -2.116) 3.896 9.981 ( -5.011 -6.384 1.075) 8.187 10.066 ( -0.306 -9.576 0.722) 9.608 10.935 ( -3.134 0.455 -3.331) 4.596 11.007 ( -0.635 -0.580 1.554) 1.776 11.463 ( -4.490 -2.768 2.584) 5.873 11.575 ( -0.469 -0.249 1.071) 1.196 11.852 ( 1.175 0.711 1.160) 1.798 11.997 ( -0.965 7.378 -1.230) 7.542 12.310 ( 4.510 -2.062 0.524) 4.986 12.454 ( 8.028 1.540 -6.417) 10.392 12.894 ( -0.587 3.687 2.612) 4.556 13.101 ( -4.358 -8.570 6.292) 11.491 13.315 ( 3.905 0.651 -4.465) 5.967 13.566 ( 3.331 -4.870 1.079) 5.998 13.935 ( -1.282 3.927 10.386) 11.177 14.175 ( 7.507 14.999 -10.065) 19.561 16.732 ( -2.873 0.709 0.280) 2.972 16.819 ( 4.486 -3.557 2.069) 6.087 17.138 ( 0.793 1.934 -2.346) 3.142 17.846 ( 1.355 10.988 -1.351) 11.154 17.888 ( 4.584 9.209 -0.203) 10.289 18.194 ( -5.537 -12.443 -17.983) 22.558 18.395 ( -9.591 -11.892 23.124) 27.715 20.001 ( -4.504 -8.763 -4.083) 10.665======================= Grid point 29 (15/81) =======================q-point: ( 0.33 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 362Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.435 ( 0.820 15.553 3.553) 15.974 2.633 ( -17.573 13.621 -9.843) 24.315 3.131 ( -10.171 -3.140 2.379) 10.907 3.158 ( -1.717 6.777 -2.415) 7.397 3.385 ( 10.131 11.279 11.292) 18.904 3.599 ( 3.101 -1.094 -0.640) 3.350 3.869 ( -3.245 -4.344 4.374) 6.967 4.034 ( 2.974 -4.173 -6.584) 8.343 4.150 ( -1.928 -1.952 -6.395) 6.959 4.271 ( 9.869 -7.313 7.969) 14.642 4.901 ( 19.019 -21.395 -5.621) 29.173 5.380 ( -7.306 8.826 -2.087) 11.646 5.510 ( -4.717 -15.752 9.454) 18.967 5.721 ( 11.601 15.998 -8.749) 21.611 5.943 ( 14.289 1.257 -0.814) 14.367 6.418 ( -4.291 -6.466 0.754) 7.797 6.842 ( -11.881 1.643 -6.020) 13.420 7.168 ( -3.349 1.272 0.870) 3.687 7.354 ( 1.591 5.598 -6.077) 8.415 7.459 ( -9.259 13.037 12.540) 20.321 7.738 ( 1.289 3.128 -2.169) 4.019 7.909 ( 3.060 -5.510 0.612) 6.332 8.162 ( -4.494 -4.921 0.327) 6.672 8.360 ( 2.148 -7.139 4.704) 8.815 8.911 ( -0.091 0.150 -0.660) 0.683 9.024 ( -1.079 -3.530 -1.341) 3.927 9.049 ( 6.277 5.004 -1.494) 8.165 9.217 ( -1.518 5.660 -0.566) 5.887 9.407 ( -7.574 1.823 1.245) 7.889 9.537 ( -5.069 -0.962 -1.375) 5.339 9.902 ( 1.116 -4.859 -0.886) 5.063 9.983 ( 1.857 -9.996 -0.472) 10.178 10.879 ( -5.450 3.898 2.195) 7.051 11.046 ( 2.379 4.299 -1.874) 5.259 11.358 ( -5.473 -1.358 2.077) 6.009 11.567 ( 0.055 -0.839 3.153) 3.264 11.872 ( 0.977 -0.151 2.009) 2.238 12.030 ( -4.373 9.031 -2.718) 10.396 12.402 ( 8.839 -2.674 0.676) 9.259 12.611 ( 8.716 -2.399 -9.672) 13.239 12.823 ( -5.287 -3.119 2.453) 6.611 13.021 ( 1.838 -5.279 7.420) 9.290 13.383 ( 4.741 -1.576 -2.032) 5.393 13.535 ( 1.453 -8.966 0.056) 9.083 13.955 ( -1.115 3.709 9.549) 10.304 14.399 ( 1.612 14.660 -12.025) 19.030 16.692 ( -1.337 -0.970 -1.317) 2.113 16.852 ( 4.983 -5.867 1.824) 7.911 17.191 ( 2.459 2.972 -1.896) 4.298 17.657 ( -15.661 -17.420 -0.496) 23.430 18.016 ( -0.727 10.044 -0.035) 10.071 18.028 ( -0.846 9.616 1.103) 9.716 18.434 ( 4.874 0.924 7.167) 8.716 19.858 ( -1.857 -8.736 -4.697) 10.091======================= Grid point 30 (16/81) =======================q-point: ( 0.42 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.535 ( -12.032 20.840 -13.033) 27.367 2.550 ( -4.985 8.634 0.426) 9.979 2.982 ( -3.089 5.350 7.405) 9.644 3.197 ( -4.921 8.524 -3.588) 10.476 3.556 ( 0.942 -1.631 -0.540) 1.959 3.593 ( -5.674 9.827 9.871) 15.040 3.817 ( 2.626 -4.548 2.300) 5.733 4.019 ( 3.746 -6.489 -1.613) 7.664 4.125 ( 3.693 -6.396 -4.966) 8.900 4.360 ( 6.014 -10.416 -0.766) 12.052 4.960 ( 13.875 -24.032 -1.383) 27.784 5.328 ( 10.233 -17.724 9.112) 22.403 5.380 ( -5.914 10.243 1.388) 11.908 5.955 ( -4.073 7.054 -0.757) 8.180 6.135 ( 0.068 -0.118 -5.008) 5.010 6.297 ( 4.716 -8.168 1.842) 9.609 6.691 ( -5.301 9.182 -14.638) 18.074 7.147 ( -3.421 5.926 1.732) 7.058 7.418 ( 0.086 -0.148 -6.065) 6.068 7.440 ( -8.776 15.201 12.009) 21.267 7.776 ( -2.967 5.138 0.587) 5.962 7.909 ( 1.652 -2.862 1.305) 3.553 8.091 ( 2.916 -5.051 -2.598) 6.385 8.335 ( 4.043 -7.002 4.897) 9.453 8.912 ( -0.260 0.450 0.346) 0.625 8.997 ( 0.972 -1.684 -1.324) 2.353 9.143 ( -1.929 3.341 -0.751) 3.931 9.219 ( -2.811 4.869 -0.576) 5.652 9.351 ( -3.242 5.616 1.654) 6.692 9.480 ( 0.545 -0.945 -1.562) 1.905 9.892 ( 2.411 -4.175 -2.320) 5.351 9.948 ( 5.382 -9.321 -0.186) 10.765 10.850 ( -3.795 6.574 3.809) 8.492 11.110 ( -3.066 5.310 -2.671) 6.688 11.287 ( -0.285 0.493 1.551) 1.652 11.563 ( 0.746 -1.293 4.472) 4.714 11.880 ( 0.420 -0.727 2.182) 2.338 12.035 ( -5.333 9.237 -3.065) 11.098 12.508 ( 3.821 -6.617 3.776) 8.523 12.606 ( 3.618 -6.266 -9.165) 11.677 12.798 ( 0.377 -0.653 -4.979) 5.036 13.007 ( 3.201 -5.544 9.828) 11.729 13.433 ( 2.812 -4.870 1.405) 5.796 13.480 ( 4.055 -7.023 -2.851) 8.596 13.964 ( -1.680 2.910 9.511) 10.087 14.488 ( -6.509 11.274 -12.729) 18.206 16.676 ( 0.520 -0.900 -2.444) 2.656 16.868 ( 5.008 -8.674 1.077) 10.074 17.263 ( -0.023 0.040 -1.878) 1.878 17.386 ( 1.471 -2.548 3.252) 4.385 18.060 ( -5.003 8.666 3.372) 10.559 18.074 ( -5.406 9.363 -0.891) 10.848 18.484 ( 1.420 -2.460 5.016) 5.764 19.796 ( 3.680 -6.374 -4.954) 8.873======================= Grid point 41 (17/81) =======================q-point: ( 0.25 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.530 ( 5.910 10.237 3.070) 12.212 2.902 ( 2.180 3.776 -3.076) 5.336 3.175 ( 1.400 2.425 -3.253) 4.293 3.258 ( 4.535 7.854 -6.606) 11.220 3.305 ( -3.651 -6.323 6.955) 10.084 3.533 ( 10.493 18.175 9.574) 23.068 3.897 ( -4.041 -7.000 5.439) 9.742 3.953 ( 0.033 0.058 -7.170) 7.170 4.110 ( -3.177 -5.502 0.367) 6.364 4.376 ( -2.735 -4.737 -5.537) 7.783 4.440 ( -5.169 -8.953 -1.523) 10.449 5.435 ( -11.709 -20.280 6.150) 24.211 5.661 ( 9.308 16.122 -0.570) 18.625 5.695 ( -0.631 -1.092 1.389) 1.876 5.701 ( 10.889 18.860 -8.866) 23.513 6.426 ( -4.508 -7.807 0.062) 9.015 6.993 ( 1.333 2.308 -1.944) 3.299 7.113 ( -1.786 -3.094 0.421) 3.597 7.484 ( 2.575 4.461 -10.030) 11.275 7.616 ( 3.730 6.460 10.421) 12.815 7.671 ( -0.765 -1.324 -3.609) 3.920 7.856 ( 0.020 0.034 4.419) 4.419 8.188 ( -5.272 -9.132 1.795) 10.697 8.286 ( -2.303 -3.989 4.364) 6.346 8.926 ( -0.513 -0.888 -1.765) 2.041 8.996 ( 4.202 7.278 -2.263) 8.704 9.020 ( -0.327 -0.566 0.482) 0.812 9.263 ( 2.771 4.799 0.172) 5.544 9.499 ( -1.563 -2.707 -0.275) 3.137 9.587 ( -2.303 -3.988 -1.883) 4.975 9.865 ( -3.002 -5.199 -0.218) 6.008 9.898 ( -4.158 -7.202 -0.294) 8.322 10.983 ( -0.330 -0.571 2.416) 2.504 11.008 ( 3.406 5.900 -2.567) 7.280 11.414 ( -1.527 -2.645 3.807) 4.881 11.559 ( -0.914 -1.583 1.939) 2.665 11.863 ( 0.261 0.452 4.020) 4.054 12.146 ( 4.019 6.962 -3.218) 8.659 12.307 ( 1.277 2.212 -1.947) 3.212 12.475 ( 0.652 1.130 -8.335) 8.436 12.895 ( -5.681 -9.841 7.622) 13.683 12.937 ( -0.446 -0.772 1.103) 1.418 13.341 ( 1.023 1.772 -1.963) 2.836 13.478 ( -2.506 -4.341 1.243) 5.165 13.982 ( 0.824 1.428 9.941) 10.077 14.456 ( 7.509 13.006 -12.750) 19.701 16.714 ( -1.476 -2.557 0.284) 2.966 16.764 ( -1.150 -1.991 -0.255) 2.313 17.185 ( 1.566 2.713 -1.431) 3.444 17.707 ( -12.632 -21.879 -1.384) 25.301 18.080 ( 6.072 10.518 -2.795) 12.462 18.086 ( 4.241 7.345 2.466) 8.833 18.390 ( 1.172 2.031 10.556) 10.813 19.828 ( -5.028 -8.708 -5.700) 11.559======================= Grid point 42 (18/81) =======================q-point: ( 0.33 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.692 ( 0.442 11.334 1.775) 11.481 2.907 ( -7.232 9.552 -10.165) 15.712 3.101 ( -9.236 4.341 3.987) 10.956 3.325 ( 1.489 10.695 -5.694) 12.208 3.445 ( 9.770 -4.299 -0.554) 10.689 3.769 ( -3.389 2.209 6.215) 7.416 3.811 ( -1.520 9.558 3.013) 10.137 3.939 ( -0.590 -6.290 -8.767) 10.806 4.039 ( 6.269 -9.532 -9.477) 14.831 4.154 ( -6.548 -2.129 4.757) 8.369 4.502 ( 16.434 -16.166 9.147) 24.801 5.072 ( -4.234 -21.484 7.897) 23.278 5.634 ( -8.885 12.222 1.762) 15.213 5.951 ( 13.950 3.186 5.708) 15.406 6.081 ( 7.798 14.017 -8.371) 18.093 6.221 ( -6.688 -12.721 0.869) 14.398 6.912 ( -11.582 4.602 -11.440) 16.918 7.123 ( 6.082 -5.549 -2.308) 8.550 7.524 ( -5.255 10.791 -8.869) 14.924 7.688 ( -4.357 10.156 12.646) 16.794 7.772 ( 9.319 0.547 -4.759) 10.478 7.864 ( -0.170 0.341 4.887) 4.902 8.018 ( -2.941 -9.458 -2.127) 10.130 8.206 ( 0.870 -8.015 6.751) 10.516 8.933 ( -0.039 2.107 -0.363) 2.139 8.986 ( -0.415 -0.390 -0.572) 0.807 9.172 ( 3.848 6.607 -0.027) 7.646 9.299 ( -1.850 1.836 -0.124) 2.609 9.446 ( -2.980 1.898 0.642) 3.591 9.497 ( -3.440 -2.321 -1.597) 4.446 9.792 ( 1.265 -7.066 -0.639) 7.207 9.806 ( 1.389 -6.315 -1.597) 6.660 10.963 ( -2.716 3.370 2.136) 4.827 11.161 ( 4.466 7.649 -1.888) 9.056 11.348 ( -5.148 0.498 3.408) 6.194 11.523 ( 0.585 -4.074 4.407) 6.030 11.869 ( 0.243 -0.092 6.072) 6.077 12.231 ( -4.105 10.959 -4.964) 12.713 12.372 ( 3.842 -0.301 -3.403) 5.142 12.498 ( 4.159 -7.166 -8.757) 12.055 12.770 ( 0.068 -1.947 3.639) 4.128 12.887 ( 0.280 -8.991 2.809) 9.423 13.373 ( 1.469 0.177 0.190) 1.491 13.410 ( -0.540 -3.804 0.824) 3.929 13.998 ( -0.271 1.176 9.873) 9.947 14.641 ( 0.646 9.571 -13.887) 16.878 16.667 ( -1.092 -1.315 -1.752) 2.448 16.727 ( 1.936 -6.442 -0.701) 6.763 17.241 ( 2.388 2.251 -0.139) 3.285 17.390 ( -6.293 -9.154 2.512) 11.389 18.201 ( -0.601 8.471 4.147) 9.451 18.228 ( -1.024 9.342 -1.066) 9.458 18.420 ( 2.629 -2.444 7.340) 8.170 19.695 ( -0.516 -7.269 -6.931) 10.057======================= Grid point 54 (19/81) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 81Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.876 ( -3.697 -6.404 0.671) 7.425 2.876 ( 3.697 6.404 0.671) 7.425 3.310 ( -5.024 -8.702 0.668) 10.070 3.310 ( 5.024 8.702 0.668) 10.070 3.616 ( -9.669 -16.747 -17.363) 25.989 3.616 ( 9.669 16.747 -17.363) 25.989 3.746 ( -0.000 -0.000 3.072) 3.072 3.885 ( -0.000 -0.000 -9.661) 9.661 4.044 ( -0.000 -0.000 -1.560) 1.560 4.276 ( -5.506 -9.536 17.215) 20.435 4.276 ( 5.506 9.536 17.215) 20.435 4.799 ( 0.000 0.000 7.087) 7.087 5.826 ( 0.000 0.000 -0.431) 0.431 5.997 ( -2.831 -4.904 2.972) 6.395 5.997 ( 2.831 4.904 2.972) 6.395 6.249 ( -0.000 -0.000 1.356) 1.356 7.004 ( -2.717 -4.705 -11.599) 12.808 7.004 ( 2.717 4.705 -11.599) 12.808 7.720 ( -3.520 -6.098 -4.058) 8.127 7.720 ( 3.520 6.098 -4.058) 8.127 7.850 ( -0.000 -0.000 -9.754) 9.754 7.862 ( -1.954 -3.384 10.314) 11.030 7.862 ( 1.954 3.384 10.314) 11.030 8.106 ( -0.000 -0.000 7.100) 7.100 8.961 ( -0.000 -0.000 -0.002) 0.002 8.989 ( -0.000 -0.000 -0.210) 0.210 9.276 ( -1.876 -3.250 0.388) 3.773 9.276 ( 1.876 3.250 0.388) 3.773 9.471 ( -0.344 -0.595 -0.756) 1.022 9.471 ( 0.344 0.595 -0.756) 1.022 9.725 ( -0.613 -1.061 -1.050) 1.614 9.725 ( 0.613 1.061 -1.050) 1.614 10.994 ( -0.000 -0.000 1.031) 1.031 11.258 ( -0.000 -0.000 -2.370) 2.370 11.412 ( -3.200 -5.543 4.935) 8.083 11.412 ( 3.200 5.543 4.935) 8.083 11.869 ( -0.000 -0.000 8.855) 8.855 12.362 ( -1.199 -2.077 -7.684) 8.049 12.362 ( 1.199 2.077 -7.684) 8.049 12.445 ( 0.000 0.000 -6.192) 6.192 12.751 ( -0.381 -0.660 3.178) 3.268 12.751 ( 0.381 0.660 3.178) 3.268 13.377 ( -0.059 -0.103 1.013) 1.020 13.377 ( 0.059 0.103 1.013) 1.020 14.008 ( -0.000 -0.000 10.019) 10.019 14.738 ( -0.000 -0.000 -14.486) 14.486 16.653 ( -0.139 -0.241 -1.614) 1.638 16.653 ( 0.139 0.241 -1.614) 1.638 17.285 ( -1.444 -2.501 1.823) 3.415 17.285 ( 1.444 2.501 1.823) 3.415 18.327 ( -0.236 -0.410 -0.505) 0.692 18.327 ( 0.236 0.410 -0.505) 0.692 18.352 ( -0.000 -0.000 12.876) 12.876 19.617 ( -0.000 -0.000 -8.117) 8.117======================= Grid point 157 (20/81) =======================q-point: ( 0.00 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 81Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.857 ( 0.000 0.000 40.202) 40.202 0.857 ( 0.000 -0.000 40.202) 40.202 1.237 ( 0.000 0.000 57.596) 57.596 2.841 ( -0.000 -0.000 -18.973) 18.973 2.841 ( 0.000 -0.000 -18.973) 18.973 3.743 ( 0.000 0.000 -16.253) 16.253 3.822 ( -0.000 -0.000 11.196) 11.196 3.822 ( 0.000 0.000 11.196) 11.196 4.616 ( 0.000 -0.000 10.331) 10.331 4.685 ( 0.000 -0.000 -12.818) 12.818 4.685 ( 0.000 0.000 -12.818) 12.818 5.582 ( 0.000 -0.000 4.789) 4.789 5.582 ( 0.000 0.000 4.789) 4.789 5.752 ( -0.000 -0.000 0.137) 0.137 5.752 ( 0.000 0.000 0.137) 0.137 6.255 ( -0.000 -0.000 -37.443) 37.443 7.276 ( 0.000 0.000 7.260) 7.260 7.276 ( 0.000 0.000 7.260) 7.260 7.451 ( -0.000 -0.000 15.517) 15.517 7.874 ( 0.000 0.000 -5.873) 5.873 7.874 ( 0.000 0.000 -5.873) 5.873 7.982 ( 0.000 0.000 1.316) 1.316 8.065 ( 0.000 0.000 -5.875) 5.875 8.167 ( 0.000 0.000 -1.115) 1.115 8.703 ( 0.000 -0.000 26.266) 26.266 9.306 ( -0.000 0.000 2.483) 2.483 9.306 ( 0.000 -0.000 2.483) 2.483 9.518 ( 0.000 0.000 -2.167) 2.167 9.518 ( 0.000 0.000 -2.167) 2.167 10.427 ( 0.000 0.000 -21.264) 21.264 11.133 ( 0.000 0.000 0.819) 0.819 11.133 ( 0.000 0.000 0.819) 0.819 11.138 ( 0.000 0.000 11.819) 11.819 11.219 ( -0.000 -0.000 -1.080) 1.080 11.219 ( 0.000 -0.000 -1.080) 1.080 11.591 ( -0.000 -0.000 -2.872) 2.872 11.985 ( 0.000 0.000 0.215) 0.215 12.001 ( 0.000 -0.000 -0.126) 0.126 12.282 ( 0.000 0.000 1.382) 1.382 12.282 ( 0.000 -0.000 1.382) 1.382 12.408 ( -0.000 -0.000 -1.264) 1.264 12.408 ( 0.000 0.000 -1.264) 1.264 12.891 ( 0.000 -0.000 1.534) 1.534 12.891 ( 0.000 0.000 1.534) 1.534 13.031 ( 0.000 -0.000 -1.450) 1.450 13.031 ( 0.000 0.000 -1.450) 1.450 16.546 ( 0.000 0.000 3.419) 3.419 16.855 ( 0.000 0.000 -3.359) 3.359 17.208 ( -0.000 -0.000 1.752) 1.752 17.208 ( 0.000 0.000 1.752) 1.752 17.364 ( 0.000 0.000 -1.683) 1.683 17.364 ( 0.000 0.000 -1.683) 1.683 20.927 ( 0.000 -0.000 1.500) 1.500 21.051 ( -0.000 -0.000 -1.217) 1.217======================= Grid point 158 (21/81) =======================q-point: ( 0.08 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.875 ( 19.187 16.899 17.540) 31.006 1.085 ( -2.039 31.180 37.539) 48.842 1.847 ( 48.014 6.165 39.663) 62.582 2.694 ( -4.096 -4.462 -22.809) 23.599 3.040 ( 7.074 7.201 -14.391) 17.578 3.599 ( -5.156 -8.196 -1.313) 9.772 3.784 ( -4.077 2.734 5.346) 7.258 3.918 ( 4.046 0.011 0.581) 4.087 4.330 ( -8.661 -5.584 19.579) 22.126 4.603 ( -9.436 3.343 -10.138) 14.247 4.678 ( -0.334 -5.186 -12.626) 13.654 5.497 ( -4.925 -13.081 1.075) 14.019 5.672 ( -1.477 2.530 0.164) 2.934 5.718 ( 3.112 4.243 3.274) 6.198 6.002 ( 15.511 5.709 -7.071) 17.977 6.350 ( 3.193 0.000 -21.446) 21.682 7.145 ( -2.769 -3.376 2.165) 4.874 7.291 ( -6.879 8.197 10.921) 15.289 7.536 ( 6.869 -1.818 9.945) 12.223 7.771 ( -8.852 -6.055 -9.981) 14.651 7.887 ( -2.600 -8.065 -3.447) 9.148 7.996 ( 1.450 0.945 1.540) 2.317 8.095 ( 3.613 4.255 -5.073) 7.543 8.272 ( 7.830 7.810 -6.694) 12.928 8.682 ( -1.018 -1.046 19.598) 19.652 9.172 ( -15.569 -6.714 10.618) 20.006 9.304 ( -0.068 -0.581 2.705) 2.768 9.507 ( -0.249 -1.817 -2.293) 2.936 9.538 ( 0.252 0.527 -0.369) 0.691 9.755 ( -22.867 -8.591 9.553) 26.229 10.669 ( -8.523 -4.805 1.585) 9.912 10.923 ( -14.961 -7.283 -1.331) 16.693 11.112 ( -1.177 -2.425 0.950) 2.858 11.200 ( -2.000 -0.243 -1.058) 2.275 11.636 ( 7.035 0.961 -0.988) 7.169 11.697 ( 4.768 5.084 -1.358) 7.101 11.861 ( -7.829 -5.116 1.006) 9.406 11.873 ( -4.323 -2.410 1.967) 5.326 12.329 ( -0.769 -5.706 -2.012) 6.099 12.375 ( 0.217 1.025 -1.954) 2.218 12.464 ( 4.207 8.219 2.567) 9.584 12.853 ( 14.560 -9.267 -7.550) 18.838 13.034 ( 8.058 5.319 2.202) 9.903 13.088 ( 9.504 3.626 -0.562) 10.188 13.140 ( 6.476 5.690 0.171) 8.623 13.373 ( 27.567 34.558 -30.069) 53.463 16.569 ( 2.205 1.081 2.636) 3.602 16.825 ( -2.433 -0.496 -3.023) 3.912 17.249 ( 4.722 0.385 1.526) 4.978 17.314 ( 3.346 4.301 0.760) 5.502 17.402 ( 4.389 1.623 -2.048) 5.108 17.472 ( 9.441 3.356 -1.770) 10.175 20.698 ( -19.124 -12.488 9.494) 24.735 20.725 ( -17.784 -9.892 1.424) 20.400======================= Grid point 159 (22/81) =======================q-point: ( 0.17 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 362Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.375 ( 6.419 25.014 25.603) 36.365 1.593 ( 26.469 34.812 -2.992) 43.834 2.608 ( -1.613 -3.458 -20.940) 21.285 2.703 ( 44.226 5.676 22.680) 50.025 3.152 ( 1.057 0.016 -14.499) 14.538 3.500 ( -0.393 0.191 7.113) 7.127 3.793 ( 3.354 2.090 -2.188) 4.517 3.925 ( -3.042 -0.669 -1.015) 3.275 4.224 ( -5.736 -2.534 2.058) 6.600 4.487 ( -5.488 5.250 3.986) 8.577 4.610 ( 1.890 -8.804 -11.042) 14.249 5.271 ( -5.578 -12.912 9.855) 17.174 5.727 ( 2.531 3.523 1.764) 4.683 5.821 ( 5.823 1.455 1.704) 6.239 6.162 ( -4.518 -5.451 -0.022) 7.080 6.304 ( 3.859 -0.902 -7.471) 8.457 7.190 ( -3.361 9.275 -4.213) 10.727 7.254 ( -0.314 6.143 4.130) 7.409 7.420 ( -17.751 -6.641 -5.615) 19.766 7.598 ( 0.002 -2.520 8.611) 8.972 7.770 ( -0.273 -12.893 -3.820) 13.450 8.065 ( 4.643 2.918 1.653) 5.727 8.188 ( 2.753 1.221 -2.610) 3.985 8.455 ( 4.749 6.197 -7.906) 11.111 8.651 ( -3.397 -2.765 9.091) 10.091 8.827 ( -11.294 -2.419 6.440) 13.225 9.292 ( -0.455 -0.720 2.370) 2.519 9.477 ( -0.816 -2.631 -2.076) 3.449 9.517 ( -1.337 -0.081 1.921) 2.342 9.620 ( -1.927 0.025 -0.235) 1.942 10.458 ( -11.364 -5.393 -0.965) 12.616 10.601 ( -14.124 -6.692 -2.164) 15.779 11.050 ( -2.404 -3.685 1.220) 4.566 11.150 ( -3.375 -0.944 -1.179) 3.698 11.698 ( -4.914 -2.421 1.387) 5.651 11.728 ( 2.377 -1.165 0.702) 2.738 11.776 ( -2.404 -1.040 1.659) 3.100 11.803 ( 1.238 2.534 -0.590) 2.881 12.268 ( 0.236 -3.955 -1.966) 4.423 12.358 ( -1.054 0.530 -2.195) 2.492 12.629 ( 4.400 8.336 3.671) 10.116 13.017 ( 13.276 -5.902 -7.351) 16.283 13.197 ( 8.938 0.504 1.963) 9.165 13.295 ( 6.019 8.257 1.817) 10.378 13.390 ( 15.513 6.427 1.944) 16.903 13.834 ( 2.411 19.042 -14.636) 24.137 16.634 ( 3.562 1.569 1.221) 4.080 16.793 ( -1.251 1.399 -2.454) 3.090 17.325 ( -1.905 0.619 5.394) 5.754 17.371 ( 6.646 0.976 2.820) 7.285 17.507 ( 5.898 1.224 -0.971) 6.101 17.701 ( 11.985 5.171 -2.948) 13.382 20.187 ( -30.137 -15.912 2.540) 34.175 20.363 ( -10.018 -8.402 -0.691) 13.093======================= Grid point 160 (23/81) =======================q-point: ( 0.25 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.706 ( 7.174 19.858 19.574) 28.792 2.348 ( 24.574 28.070 -5.922) 37.774 2.553 ( -1.577 -1.499 -12.126) 12.320 3.079 ( -1.591 -4.403 -12.794) 13.623 3.404 ( 27.330 5.228 0.366) 27.828 3.577 ( 3.738 6.372 6.159) 9.618 3.788 ( -7.763 -2.179 0.302) 8.069 3.929 ( 2.847 5.778 -8.894) 10.981 4.049 ( -3.447 -7.265 -6.518) 10.351 4.505 ( 2.245 -2.608 -5.211) 6.245 4.654 ( 6.574 -2.631 17.280) 18.674 5.075 ( 0.436 -9.424 21.524) 23.501 5.779 ( 2.077 -3.245 2.738) 4.726 5.929 ( 3.428 3.934 -0.416) 5.234 5.988 ( -4.970 -2.997 -3.598) 6.828 6.357 ( -1.317 -0.834 -6.981) 7.153 7.094 ( -7.630 2.839 -0.832) 8.184 7.176 ( -8.510 3.696 2.573) 9.628 7.345 ( -4.181 3.340 -0.356) 5.363 7.549 ( -3.085 -5.919 4.662) 8.141 7.653 ( 1.640 -4.528 -2.509) 5.430 8.158 ( -3.048 -5.572 1.299) 6.482 8.173 ( 3.407 0.106 0.195) 3.415 8.447 ( -8.512 2.942 -9.748) 13.272 8.643 ( 6.820 3.483 1.047) 7.729 8.807 ( 3.743 1.581 0.571) 4.103 9.278 ( -0.293 -1.200 2.141) 2.472 9.433 ( -1.775 -1.421 -1.713) 2.846 9.459 ( -4.021 -5.963 0.888) 7.246 9.560 ( -4.797 -0.840 -0.873) 4.947 10.214 ( -10.786 -4.144 -0.644) 11.573 10.352 ( -8.965 -4.455 -1.994) 10.208 10.976 ( -1.573 -3.976 1.251) 4.455 11.068 ( -4.942 -1.616 -1.135) 5.322 11.611 ( -3.181 -1.836 2.180) 4.271 11.649 ( -5.150 -2.131 3.101) 6.378 11.806 ( 2.252 1.136 0.419) 2.557 11.850 ( 1.550 0.882 -0.720) 1.923 12.277 ( 3.138 -0.033 -3.231) 4.504 12.381 ( 2.937 1.443 -2.484) 4.108 12.764 ( 3.057 6.963 3.516) 8.379 13.140 ( 5.071 -1.331 -4.860) 7.149 13.348 ( 11.455 -4.385 2.353) 12.489 13.470 ( 4.146 10.080 0.406) 10.907 13.693 ( 14.491 2.877 2.499) 14.983 13.955 ( -3.740 11.809 -2.851) 12.711 16.689 ( 1.179 0.907 0.807) 1.692 16.830 ( 2.700 3.688 -2.790) 5.355 17.249 ( -3.717 -3.611 8.543) 9.992 17.516 ( 7.148 3.240 1.750) 8.040 17.625 ( 6.330 1.756 -0.512) 6.590 17.932 ( 9.090 3.606 -7.546) 12.352 19.482 ( -33.397 -15.877 7.980) 37.830 20.157 ( -6.628 -6.895 -8.080) 12.520======================= Grid point 161 (24/81) =======================q-point: ( 0.33 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 362Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.995 ( 7.986 14.190 14.353) 21.706 2.479 ( -2.059 -5.754 2.633) 6.654 2.895 ( 9.983 10.785 -2.057) 14.839 3.048 ( 5.218 3.811 -11.157) 12.892 3.447 ( -13.804 -3.030 2.708) 14.390 3.676 ( -3.884 -0.981 -7.815) 8.781 3.839 ( 8.623 6.230 4.622) 11.599 4.043 ( 8.283 13.849 -22.891) 28.007 4.142 ( 11.206 1.436 1.878) 11.453 4.480 ( -8.059 -13.036 16.942) 22.846 4.547 ( 6.428 -6.392 -6.915) 11.401 5.327 ( 23.558 3.236 23.352) 33.328 5.713 ( -4.236 -7.055 -4.207) 9.242 5.892 ( -4.180 0.706 -1.348) 4.449 6.011 ( 2.297 1.895 -0.976) 3.134 6.341 ( 0.883 3.837 -6.796) 7.854 7.017 ( -5.603 -2.695 3.565) 7.167 7.091 ( -8.703 -0.706 -0.918) 8.779 7.272 ( -3.319 5.305 7.392) 9.685 7.380 ( -5.123 -4.319 6.919) 9.632 7.677 ( -1.906 -1.921 -1.927) 3.322 8.057 ( -0.127 -2.119 -5.106) 5.530 8.145 ( -4.040 -3.909 -4.586) 7.255 8.411 ( -1.700 3.331 -6.660) 7.638 8.807 ( 7.241 4.928 0.889) 8.804 8.916 ( 6.035 2.137 -1.841) 6.662 9.235 ( -2.730 -4.919 2.388) 6.112 9.269 ( -7.690 -7.597 1.366) 10.896 9.414 ( 0.859 -2.105 -2.519) 3.393 9.438 ( -8.920 0.749 -1.439) 9.066 10.060 ( -3.900 -2.037 1.255) 4.576 10.217 ( -4.126 -1.543 -1.590) 4.683 10.922 ( -1.381 -4.818 1.290) 5.176 10.965 ( -4.527 -0.095 -0.398) 4.546 11.500 ( -6.177 -3.187 3.313) 7.700 11.599 ( -1.501 1.248 2.873) 3.473 11.844 ( 1.145 0.772 0.070) 1.382 11.871 ( 1.126 -0.731 -0.157) 1.352 12.354 ( 3.392 3.340 -6.244) 7.852 12.483 ( 7.562 0.720 -4.028) 8.598 12.866 ( 2.470 4.620 4.936) 7.198 13.167 ( -1.618 1.790 -0.244) 2.425 13.489 ( 11.223 -6.127 0.015) 12.786 13.619 ( 1.690 10.529 -0.480) 10.675 13.911 ( 5.401 5.359 2.049) 7.880 13.979 ( 1.751 0.001 3.089) 3.551 16.704 ( 0.300 0.236 1.351) 1.404 16.919 ( 2.015 4.741 -4.240) 6.672 17.172 ( -0.137 -3.873 6.814) 7.838 17.656 ( 5.626 3.111 1.298) 6.559 17.741 ( 5.217 1.584 -0.562) 5.481 17.991 ( -5.004 -4.682 -17.371) 18.673 18.888 ( -20.216 -6.001 19.978) 29.049 19.997 ( -5.048 -6.187 -10.400) 13.112======================= Grid point 162 (25/81) =======================q-point: ( 0.42 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.252 ( 8.982 9.344 9.187) 15.887 2.364 ( -1.974 -9.061 15.225) 17.827 2.957 ( 1.004 -0.970 -2.703) 3.042 3.092 ( -10.531 -3.523 3.253) 11.571 3.384 ( 4.741 10.886 4.338) 12.641 3.555 ( -5.287 -3.292 -6.636) 9.101 3.980 ( -0.848 1.412 -0.415) 1.699 4.184 ( 4.976 0.155 -1.616) 5.235 4.287 ( 3.030 -1.979 9.527) 10.191 4.420 ( -0.907 14.661 -10.032) 17.788 4.687 ( 15.082 -5.414 -18.637) 24.579 5.462 ( -5.672 -1.099 -8.505) 10.282 5.763 ( 13.752 -7.348 5.491) 16.530 5.919 ( 3.603 8.058 6.336) 10.865 6.052 ( 3.666 -1.600 1.128) 4.156 6.414 ( 0.686 4.417 -4.209) 6.140 6.784 ( -8.697 -14.154 6.555) 17.859 6.985 ( -3.358 0.965 1.939) 3.996 7.151 ( -11.369 4.917 10.025) 15.935 7.469 ( 4.460 7.038 2.361) 8.660 7.580 ( -0.726 -5.833 0.053) 5.878 8.002 ( -7.135 -1.703 -5.367) 9.089 8.110 ( 3.968 -0.911 -5.172) 6.582 8.392 ( -3.469 1.684 -8.186) 9.049 8.951 ( 2.879 4.199 -0.134) 5.093 9.007 ( 2.997 -1.228 -1.181) 3.448 9.070 ( -3.928 -4.791 2.005) 6.512 9.173 ( 0.510 -6.590 1.909) 6.880 9.282 ( -8.323 2.287 0.421) 8.642 9.446 ( 1.665 0.779 -3.390) 3.857 10.023 ( 0.673 -1.681 3.110) 3.599 10.166 ( -1.594 0.032 -0.977) 1.870 10.810 ( -5.973 -1.395 3.293) 6.962 10.956 ( 1.812 -0.783 -0.731) 2.105 11.376 ( -4.813 -2.309 3.468) 6.366 11.594 ( -1.268 2.062 1.564) 2.882 11.857 ( 0.856 -1.197 0.536) 1.566 11.884 ( 0.675 0.323 -0.276) 0.798 12.432 ( 1.034 4.340 -9.070) 10.107 12.617 ( 8.289 -2.481 -7.028) 11.147 12.940 ( 2.680 2.154 8.303) 8.987 13.135 ( -4.900 3.547 2.990) 6.748 13.594 ( 7.799 -5.411 -2.828) 9.905 13.730 ( -0.098 9.573 -2.150) 9.811 13.926 ( -7.912 10.110 5.739) 14.062 14.074 ( 12.155 -11.586 3.407) 17.135 16.708 ( 0.663 -1.077 1.405) 1.890 16.984 ( 0.256 6.105 -5.919) 8.507 17.179 ( 4.426 -3.263 3.738) 6.649 17.659 ( -15.303 -9.027 -8.629) 19.752 17.777 ( 0.635 2.127 -3.742) 4.351 17.821 ( 2.453 0.699 -0.784) 2.669 18.726 ( -2.450 3.128 19.643) 20.041 19.877 ( -2.605 -4.872 -10.473) 11.841======================= Grid point 163 (26/81) =======================q-point: (-0.50 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 199Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.293 ( 4.321 -7.484 19.768) 21.575 2.409 ( 0.035 -0.060 4.408) 4.409 2.888 ( -3.431 5.944 10.653) 12.672 3.020 ( 1.220 -2.113 2.367) 3.399 3.479 ( -0.055 0.096 -7.039) 7.040 3.497 ( -2.587 4.481 2.484) 5.740 3.940 ( -0.183 0.316 -2.127) 2.158 4.270 ( 0.945 -1.637 8.724) 8.926 4.306 ( 1.718 -2.975 1.532) 3.762 4.471 ( -4.876 8.445 -10.901) 14.626 4.798 ( 2.787 -4.828 -19.569) 20.347 5.424 ( -2.696 4.670 -20.361) 21.063 5.814 ( 4.579 -7.931 2.765) 9.566 6.000 ( -3.773 6.535 0.182) 7.548 6.130 ( 5.654 -9.794 8.797) 14.328 6.415 ( -0.501 0.868 -1.297) 1.640 6.617 ( 4.248 -7.358 10.013) 13.132 6.969 ( -0.016 0.027 1.717) 1.717 7.073 ( -6.325 10.955 10.215) 16.259 7.493 ( -1.205 2.087 -3.589) 4.323 7.617 ( 1.747 -3.026 5.832) 6.799 7.910 ( -0.944 1.635 -4.680) 5.046 8.145 ( 1.115 -1.931 -4.205) 4.760 8.361 ( -1.589 2.752 -9.802) 10.304 8.952 ( -1.412 2.445 -0.323) 2.842 9.021 ( 1.477 -2.558 -0.575) 3.009 9.047 ( 1.675 -2.902 1.648) 3.734 9.150 ( 0.909 -1.574 -0.130) 1.822 9.229 ( -2.025 3.508 3.571) 5.400 9.468 ( 0.326 -0.565 -4.057) 4.109 10.024 ( 1.232 -2.135 3.958) 4.663 10.154 ( -0.313 0.542 -0.710) 0.946 10.746 ( -1.752 3.034 4.580) 5.766 10.973 ( 1.059 -1.834 -1.154) 2.411 11.320 ( -0.066 0.114 3.448) 3.451 11.593 ( -1.374 2.379 0.728) 2.842 11.858 ( 0.887 -1.536 0.635) 1.883 11.893 ( -0.094 0.163 -0.166) 0.251 12.463 ( -1.880 3.256 -10.284) 10.950 12.678 ( 3.678 -6.371 -8.801) 11.470 12.984 ( 1.232 -2.134 11.077) 11.348 13.099 ( -4.214 7.298 3.489) 9.121 13.635 ( 3.424 -5.930 -4.085) 7.973 13.782 ( -3.086 5.345 -4.945) 7.908 13.901 ( -7.076 12.255 8.578) 16.548 14.121 ( 8.741 -15.139 3.987) 17.930 16.708 ( 1.020 -1.767 1.217) 2.376 17.033 ( -2.596 4.496 -8.052) 9.581 17.226 ( 2.939 -5.091 0.463) 5.897 17.410 ( -1.387 2.402 -3.076) 4.141 17.811 ( -1.082 1.875 -1.286) 2.518 17.843 ( 0.607 -1.051 -0.910) 1.517 18.734 ( -1.598 2.767 16.745) 17.047 19.829 ( 1.467 -2.542 -10.232) 10.645======================= Grid point 171 (27/81) =======================q-point: ( 0.08 0.08 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.443 ( 19.674 34.076 0.627) 39.352 1.730 ( 15.600 27.020 29.705) 43.079 2.167 ( 17.979 31.140 24.652) 43.597 2.621 ( -1.054 -1.825 -20.508) 20.616 3.133 ( -0.969 -1.679 -23.888) 23.967 3.512 ( 1.257 2.177 13.486) 13.718 3.767 ( -0.673 -1.166 2.152) 2.538 3.942 ( 0.247 0.427 -2.106) 2.163 4.299 ( 1.218 2.110 13.320) 13.540 4.497 ( -6.586 -11.407 -17.372) 21.801 4.608 ( -2.070 -3.585 -4.791) 6.332 5.241 ( -7.217 -12.501 6.482) 15.823 5.741 ( -0.151 -0.262 3.538) 3.551 5.748 ( 2.763 4.786 0.549) 5.553 6.158 ( 4.784 8.286 -2.859) 9.986 6.273 ( -4.470 -7.743 -6.392) 10.991 7.202 ( 5.325 9.223 -9.420) 14.218 7.438 ( 2.330 4.036 12.836) 13.656 7.448 ( -3.251 -5.631 4.242) 7.764 7.625 ( -8.558 -14.823 -1.551) 17.186 7.673 ( -3.243 -5.618 -7.782) 10.131 8.043 ( 2.237 3.875 1.814) 4.829 8.172 ( 1.698 2.940 -1.775) 3.831 8.435 ( 4.141 7.172 -4.777) 9.561 8.661 ( -0.332 -0.575 12.199) 12.217 8.945 ( -8.283 -14.346 5.393) 17.421 9.293 ( -0.582 -1.007 2.144) 2.439 9.420 ( -2.715 -4.702 -1.481) 5.628 9.568 ( 0.540 0.935 -0.607) 1.238 9.644 ( -1.362 -2.360 2.556) 3.736 10.533 ( -5.079 -8.797 -0.691) 10.182 10.686 ( -8.436 -14.611 -1.181) 16.913 11.068 ( -1.889 -3.271 -0.276) 3.787 11.173 ( -1.259 -2.180 -0.173) 2.523 11.678 ( 1.719 2.977 -0.779) 3.525 11.736 ( -3.362 -5.823 1.621) 6.917 11.803 ( -2.478 -4.292 2.303) 5.465 11.814 ( 2.737 4.741 -0.067) 5.475 12.240 ( -1.792 -3.104 -3.513) 5.019 12.385 ( -0.617 -1.068 -0.137) 1.241 12.635 ( 5.163 8.943 5.594) 11.744 12.812 ( 2.599 4.502 -10.102) 11.361 13.165 ( 3.420 5.923 -1.143) 6.934 13.243 ( 7.045 12.203 1.982) 14.229 13.299 ( 5.728 9.921 0.246) 11.458 13.919 ( 10.373 17.967 -15.681) 26.006 16.611 ( 1.896 3.284 1.273) 4.000 16.810 ( -0.419 -0.726 -1.771) 1.960 17.329 ( 4.079 7.065 0.650) 8.184 17.344 ( -0.984 -1.705 5.932) 6.250 17.455 ( 2.302 3.987 -0.565) 4.639 17.614 ( 6.024 10.434 -3.453) 12.533 20.366 ( -15.171 -26.277 2.441) 30.440 20.410 ( -8.085 -14.004 1.906) 16.282======================= Grid point 172 (28/81) =======================q-point: ( 0.17 0.08 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.924 ( 0.532 27.932 17.768) 33.108 2.257 ( 18.600 29.572 8.921) 36.056 2.600 ( 0.290 3.065 -15.800) 16.097 2.938 ( 33.836 21.434 0.441) 40.056 3.034 ( -0.678 -8.933 -19.980) 21.896 3.591 ( 0.936 4.091 13.159) 13.812 3.808 ( 3.801 0.758 -2.861) 4.818 3.912 ( -1.474 -1.530 0.241) 2.139 4.182 ( -14.342 -3.053 -15.809) 21.563 4.447 ( 7.104 -5.690 -9.125) 12.888 4.540 ( 0.803 1.291 13.754) 13.837 5.008 ( -5.777 -14.294 18.842) 24.346 5.721 ( -0.329 -2.713 4.589) 5.341 5.827 ( 4.038 -1.951 1.009) 4.597 6.135 ( -6.450 4.938 -3.675) 8.916 6.296 ( 5.657 -1.981 -3.982) 7.196 7.243 ( -10.569 -5.839 -3.352) 12.531 7.335 ( -7.206 -5.333 5.573) 10.556 7.406 ( 2.624 7.126 -8.716) 11.560 7.542 ( 0.002 0.941 7.466) 7.526 7.600 ( 1.455 -0.945 -2.854) 3.340 8.132 ( 3.338 3.543 1.404) 5.066 8.148 ( -3.325 -6.535 3.282) 8.033 8.578 ( 4.050 6.830 -4.578) 9.165 8.625 ( -6.648 0.736 0.642) 6.719 8.747 ( 1.556 -5.283 -0.871) 5.576 9.257 ( -1.066 -3.441 1.262) 3.817 9.333 ( -0.631 -8.665 -1.190) 8.769 9.567 ( -2.578 2.501 -0.366) 3.610 9.615 ( -1.749 -0.300 1.191) 2.137 10.339 ( -9.250 -6.722 -0.513) 11.446 10.415 ( -7.632 -11.392 -1.264) 13.770 10.986 ( -3.320 -3.685 -0.709) 5.011 11.121 ( -2.771 -1.537 0.331) 3.186 11.645 ( -2.909 -2.337 1.845) 4.162 11.688 ( -2.563 -3.008 2.365) 4.606 11.770 ( 2.530 1.153 0.068) 2.781 11.872 ( -0.383 3.373 -0.024) 3.395 12.221 ( 1.815 -0.695 -3.425) 3.938 12.359 ( 0.255 -1.199 0.089) 1.229 12.789 ( 3.295 7.751 5.651) 10.143 12.968 ( 10.213 1.778 -10.074) 14.455 13.255 ( 1.484 4.080 1.486) 4.589 13.481 ( 9.936 5.282 0.935) 11.291 13.505 ( 7.087 10.163 -1.744) 12.512 14.110 ( -0.474 8.872 -0.129) 8.885 16.683 ( 2.072 3.389 0.069) 3.973 16.812 ( 1.362 0.469 -0.757) 1.627 17.267 ( -3.496 -4.921 8.419) 10.359 17.488 ( 4.541 9.469 0.787) 10.531 17.557 ( 5.258 4.168 -0.720) 6.748 17.828 ( 8.197 7.017 -5.904) 12.300 19.769 ( -24.164 -26.096 6.511) 36.157 20.181 ( -6.165 -9.845 -7.461) 13.806======================= Grid point 173 (29/81) =======================q-point: ( 0.25 0.08 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.133 ( -2.017 21.230 17.297) 27.459 2.555 ( -5.772 5.914 -8.265) 11.688 2.835 ( 13.784 17.029 4.721) 22.411 2.987 ( 3.822 -2.829 -14.111) 14.890 3.589 ( -2.592 -3.674 5.952) 7.460 3.599 ( 13.501 8.346 -6.062) 16.990 3.811 ( 7.334 4.702 -6.571) 10.912 3.898 ( 1.725 -5.085 -5.145) 7.437 4.079 ( 2.434 10.856 -12.592) 16.803 4.409 ( -0.896 -6.506 -9.704) 11.718 4.566 ( -7.099 -6.208 21.280) 23.276 4.959 ( 18.701 -3.862 19.424) 27.239 5.677 ( -1.069 -3.741 4.203) 5.727 5.877 ( 5.075 -3.493 0.456) 6.178 6.051 ( -8.285 -1.318 -2.717) 8.819 6.356 ( 3.043 3.352 -5.110) 6.827 7.056 ( -5.720 -7.589 -4.081) 10.343 7.229 ( -4.244 1.640 3.861) 5.967 7.338 ( -5.053 -2.986 2.314) 6.309 7.522 ( -6.521 6.046 8.998) 12.651 7.709 ( 0.370 5.420 -3.854) 6.660 8.000 ( -1.182 -8.598 0.508) 8.694 8.183 ( -1.313 0.766 -2.660) 3.064 8.470 ( -4.757 -1.544 -9.069) 10.357 8.754 ( 5.494 5.916 1.225) 8.166 8.833 ( 7.023 3.281 -1.909) 7.983 9.191 ( -1.201 -6.484 0.361) 6.604 9.231 ( -0.593 -9.901 -0.469) 9.930 9.514 ( -6.798 3.401 -0.483) 7.617 9.569 ( -4.612 1.088 0.937) 4.831 10.121 ( -7.880 -5.805 0.084) 9.788 10.238 ( -3.401 -7.005 -0.979) 7.848 10.906 ( -1.891 -3.151 -0.791) 3.759 11.052 ( -4.502 -0.042 0.966) 4.605 11.562 ( -4.919 -2.723 2.156) 6.022 11.629 ( -1.254 -0.680 3.615) 3.886 11.832 ( 2.483 1.482 -0.146) 2.895 11.880 ( -1.737 2.813 -0.553) 3.352 12.285 ( 5.546 0.781 -5.000) 7.508 12.389 ( 4.461 -1.220 -0.709) 4.679 12.889 ( 1.003 5.403 4.903) 7.364 13.139 ( 7.271 1.566 -7.832) 10.801 13.302 ( 3.379 -1.170 5.270) 6.369 13.652 ( 7.079 0.389 -0.435) 7.103 13.719 ( 7.303 8.268 -4.271) 11.829 14.134 ( -4.179 6.204 7.451) 10.558 16.719 ( -0.843 1.802 0.883) 2.176 16.878 ( 5.280 0.815 -2.031) 5.715 17.161 ( -3.130 -4.330 6.515) 8.426 17.641 ( 3.440 8.294 0.860) 9.020 17.704 ( 4.954 7.409 -1.037) 8.973 17.967 ( 2.842 -1.156 -12.388) 12.762 19.144 ( -22.106 -17.427 16.172) 32.464 20.000 ( -4.669 -9.236 -11.655) 15.587======================= Grid point 174 (30/81) =======================q-point: ( 0.33 0.08 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.293 ( 0.602 14.888 11.513) 18.830 2.447 ( -10.948 2.554 5.092) 12.341 2.953 ( 0.470 2.110 -8.212) 8.492 3.168 ( 1.933 2.488 -1.986) 3.725 3.486 ( -4.736 8.797 14.137) 17.311 3.586 ( -1.575 -6.213 -6.444) 9.089 3.919 ( 5.513 0.778 -2.584) 6.138 4.104 ( 8.692 -5.195 -3.953) 10.870 4.218 ( -5.587 -7.265 12.804) 15.746 4.394 ( 13.090 0.017 -15.516) 20.300 4.549 ( 6.198 19.648 -14.722) 25.322 5.292 ( 22.595 -8.729 14.544) 28.254 5.579 ( -5.939 -4.497 -3.694) 8.315 5.872 ( 0.398 -3.680 4.033) 5.474 5.994 ( 5.050 -1.776 0.553) 5.381 6.441 ( 1.072 4.389 -2.764) 5.296 6.841 ( -10.848 -10.009 -1.242) 14.812 7.096 ( -8.472 0.626 1.623) 8.648 7.390 ( 6.862 2.232 7.621) 10.495 7.455 ( -10.756 10.721 9.290) 17.802 7.629 ( -6.290 -1.026 -3.202) 7.132 7.999 ( 3.344 -4.779 -2.801) 6.470 8.114 ( -4.990 0.874 -7.919) 9.401 8.426 ( -0.394 -1.972 -6.674) 6.971 8.903 ( 5.959 4.024 1.861) 7.427 8.958 ( 3.681 1.602 -2.082) 4.523 9.110 ( -2.318 -6.858 0.744) 7.277 9.124 ( -2.292 -1.368 -0.000) 2.669 9.433 ( -6.800 1.203 1.080) 6.990 9.487 ( -5.228 2.891 -1.272) 6.108 9.995 ( -1.421 -4.460 1.079) 4.803 10.152 ( -0.104 -5.508 0.047) 5.509 10.864 ( -1.420 -0.448 0.591) 1.602 10.984 ( -3.853 1.803 0.804) 4.330 11.441 ( -5.914 -2.706 2.792) 7.077 11.621 ( -0.115 0.586 2.689) 2.754 11.874 ( 0.306 1.429 -0.330) 1.498 11.878 ( -1.180 2.932 -0.114) 3.163 12.405 ( 6.733 1.212 -8.070) 10.579 12.465 ( 6.017 -2.083 -2.814) 6.962 12.928 ( 0.104 1.185 6.041) 6.157 13.209 ( -0.489 2.073 0.070) 2.131 13.386 ( 9.813 -4.569 2.092) 11.025 13.719 ( 5.353 -8.166 -1.005) 9.816 13.895 ( 3.638 9.250 -5.236) 11.234 14.120 ( -4.522 6.593 8.824) 11.907 16.703 ( -1.318 -0.583 0.914) 1.706 16.975 ( 5.691 -0.790 -2.672) 6.337 17.101 ( -0.307 -1.302 2.663) 2.981 17.735 ( -2.757 0.001 -3.545) 4.491 17.834 ( 0.020 6.578 -4.419) 7.924 17.863 ( -5.049 -1.711 -7.217) 8.973 18.806 ( -6.630 -2.595 22.651) 23.743 19.849 ( -2.547 -9.076 -12.592) 15.730======================= Grid point 175 (31/81) =======================q-point: ( 0.42 0.08 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.290 ( -7.217 2.185 12.909) 14.950 2.436 ( 0.505 8.813 6.252) 10.818 2.993 ( -0.235 4.367 -3.374) 5.524 3.079 ( -7.602 2.211 7.548) 10.939 3.494 ( -2.328 -1.719 -6.430) 7.051 3.597 ( -1.191 11.088 10.014) 14.988 3.918 ( -1.049 -6.429 -2.992) 7.168 4.141 ( 9.525 -3.438 2.487) 10.428 4.227 ( 3.112 -5.838 3.781) 7.620 4.454 ( 5.535 -8.042 -6.403) 11.675 4.860 ( -0.657 16.916 -22.110) 27.847 5.484 ( 4.700 -0.571 -8.164) 9.438 5.510 ( 9.679 -12.212 -1.555) 15.660 5.876 ( 8.649 -11.611 6.985) 16.075 6.090 ( 1.619 5.817 3.056) 6.767 6.444 ( -2.642 -2.834 -3.261) 5.064 6.556 ( -6.975 -7.675 6.444) 12.210 7.025 ( -3.864 4.527 1.532) 6.146 7.378 ( -11.929 15.334 11.044) 22.347 7.481 ( 4.252 -4.831 1.581) 6.627 7.615 ( -0.653 7.356 -1.587) 7.553 7.943 ( -2.297 -3.177 -3.219) 5.073 8.091 ( 1.325 -2.220 -6.034) 6.564 8.394 ( -1.039 -1.166 -6.777) 6.955 8.952 ( 1.640 -2.559 1.151) 3.250 9.010 ( -2.392 -2.286 -0.265) 3.319 9.042 ( 0.639 5.137 -0.083) 5.178 9.134 ( 0.253 2.300 0.432) 2.354 9.333 ( -5.540 3.406 2.686) 7.036 9.461 ( -0.754 0.038 -2.488) 2.600 9.965 ( 1.878 -3.986 1.969) 4.826 10.116 ( 1.908 -5.315 0.862) 5.712 10.838 ( -3.665 4.238 4.823) 7.393 10.971 ( -0.739 2.257 -2.207) 3.243 11.337 ( -3.107 -1.586 2.853) 4.507 11.627 ( -0.327 1.038 1.418) 1.787 11.874 ( -1.850 3.050 -0.794) 3.654 11.896 ( -0.011 1.099 1.011) 1.493 12.496 ( 1.839 1.684 -9.375) 9.701 12.535 ( 5.966 -5.283 -7.317) 10.818 12.927 ( 1.490 -3.326 9.914) 10.563 13.205 ( -2.015 2.801 3.803) 5.135 13.501 ( 7.664 -4.031 -1.099) 8.729 13.689 ( 5.859 -15.168 0.358) 16.264 14.017 ( 0.005 9.021 -6.581) 11.166 14.104 ( -5.385 6.682 8.714) 12.230 16.677 ( 0.094 -1.998 -0.054) 2.001 17.036 ( 4.709 -5.059 -1.251) 7.023 17.129 ( 2.267 2.214 -3.652) 4.835 17.491 ( -9.351 -7.020 -4.194) 12.422 17.880 ( -1.287 7.430 -1.543) 7.697 17.907 ( -3.180 8.235 -0.220) 8.830 18.766 ( -0.307 0.873 18.952) 18.974 19.754 ( 1.334 -7.762 -12.361) 14.657======================= Grid point 184 (32/81) =======================q-point: ( 0.17 0.17 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 199Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.310 ( 6.610 11.449 12.289) 18.050 2.707 ( 4.348 7.531 -14.765) 17.135 2.761 ( 14.060 24.353 19.483) 34.210 2.890 ( -2.672 -4.628 -16.727) 17.560 3.483 ( 16.535 28.640 -14.383) 36.063 3.545 ( -3.985 -6.902 10.947) 13.541 3.787 ( -6.086 -10.542 -0.231) 12.175 3.884 ( 3.550 6.148 -12.963) 14.780 4.162 ( 0.980 1.698 -9.353) 9.556 4.373 ( -0.697 -1.207 -18.634) 18.686 4.638 ( 4.843 8.388 23.700) 25.602 4.711 ( -8.878 -15.378 22.053) 28.313 5.698 ( 0.381 0.660 9.257) 9.288 5.780 ( -0.757 -1.311 -0.570) 1.618 6.140 ( -6.448 -11.169 -2.622) 13.161 6.325 ( 5.286 9.156 -3.966) 11.292 7.069 ( -5.944 -10.295 -5.693) 13.181 7.260 ( 0.207 0.358 6.359) 6.372 7.382 ( -3.295 -5.707 -3.817) 7.615 7.607 ( 0.526 0.911 7.850) 7.920 7.743 ( 6.147 10.648 -5.845) 13.614 7.964 ( -5.965 -10.332 5.844) 13.284 8.198 ( 1.933 3.348 -0.517) 3.901 8.519 ( -5.539 -9.595 -11.366) 15.872 8.731 ( 2.630 4.556 1.840) 5.573 8.780 ( 5.897 10.214 -1.468) 11.886 9.168 ( -2.986 -5.173 -0.083) 5.973 9.182 ( -3.510 -6.079 -0.737) 7.058 9.602 ( -0.782 -1.355 2.023) 2.557 9.606 ( 0.628 1.087 -0.293) 1.289 10.183 ( -6.427 -11.133 -0.755) 12.877 10.211 ( -4.324 -7.490 0.225) 8.652 10.911 ( -1.961 -3.397 -1.807) 4.319 11.092 ( -0.970 -1.681 1.739) 2.606 11.609 ( -1.051 -1.820 1.178) 2.409 11.619 ( -2.199 -3.808 3.339) 5.521 11.816 ( 1.889 3.272 -0.025) 3.779 11.925 ( 1.294 2.241 -0.798) 2.708 12.239 ( 1.386 2.401 -3.948) 4.824 12.324 ( -0.786 -1.362 1.432) 2.127 12.913 ( 2.791 4.835 5.144) 7.591 13.067 ( 4.091 7.087 -9.053) 12.203 13.295 ( -0.486 -0.842 2.233) 2.435 13.539 ( 1.429 2.476 -0.060) 2.859 13.734 ( 6.909 11.967 -5.454) 14.856 14.199 ( 0.866 1.500 9.687) 9.841 16.751 ( 1.625 2.814 -0.567) 3.298 16.814 ( 0.123 0.213 0.865) 0.899 17.170 ( -2.602 -4.507 5.705) 7.723 17.664 ( 4.243 7.349 -0.466) 8.499 17.699 ( 6.421 11.122 -0.247) 12.845 17.927 ( 1.083 1.877 -10.842) 11.056 19.249 ( -14.741 -25.533 14.900) 33.034 19.991 ( -5.653 -9.792 -12.092) 16.555======================= Grid point 185 (33/81) =======================q-point: ( 0.25 0.17 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.453 ( -0.847 12.159 10.656) 16.190 2.725 ( -12.245 10.193 -6.769) 17.311 2.938 ( 5.979 2.471 -12.582) 14.148 3.124 ( 7.179 6.410 6.709) 11.732 3.460 ( 4.220 -7.653 -0.469) 8.752 3.619 ( -2.771 3.179 12.179) 12.889 3.831 ( 9.472 -1.133 -4.312) 10.469 3.944 ( -2.024 -1.352 -18.354) 18.515 4.212 ( 0.349 -4.566 4.882) 6.693 4.391 ( -9.778 2.076 6.313) 11.823 4.587 ( 12.439 19.588 -20.708) 31.100 4.855 ( 16.762 -6.328 18.516) 25.765 5.677 ( -7.062 1.983 3.428) 8.097 5.839 ( 9.213 0.188 6.599) 11.334 5.870 ( -7.537 -14.563 -0.893) 16.422 6.464 ( 1.448 4.135 -1.904) 4.777 6.908 ( -5.074 -4.970 -6.238) 9.453 7.253 ( -7.574 0.669 -2.385) 7.968 7.309 ( 2.465 -0.705 9.431) 9.773 7.562 ( -0.246 -4.465 -4.309) 6.210 7.789 ( -7.542 4.210 7.904) 11.708 7.916 ( 3.743 0.222 0.353) 3.766 8.220 ( -5.933 2.168 -6.648) 9.170 8.364 ( 1.479 -8.136 -7.548) 11.196 8.855 ( 5.311 6.247 2.094) 8.462 8.917 ( 2.429 1.435 -1.000) 2.993 9.077 ( -1.692 -4.910 -0.242) 5.199 9.147 ( 1.373 3.301 -0.310) 3.588 9.546 ( -5.002 0.085 2.262) 5.490 9.595 ( -3.552 0.612 -0.330) 3.620 9.991 ( -4.662 -7.290 -0.154) 8.655 10.085 ( -1.358 -8.662 0.802) 8.805 10.880 ( -0.098 1.085 -1.659) 1.985 11.053 ( -2.464 -0.158 2.427) 3.462 11.520 ( -5.674 -1.576 2.075) 6.244 11.599 ( 1.553 -2.443 0.983) 3.057 11.880 ( 1.357 3.580 1.590) 4.146 11.959 ( -1.561 5.140 -2.216) 5.811 12.300 ( 3.767 0.488 -3.874) 5.425 12.342 ( 5.692 -2.661 -0.390) 6.295 12.963 ( -1.389 2.192 3.557) 4.403 13.200 ( 4.005 3.948 -5.851) 8.115 13.240 ( 0.632 -6.441 5.899) 8.757 13.567 ( 2.633 -4.961 -1.027) 5.710 13.952 ( 4.707 12.564 -9.026) 16.171 14.207 ( -1.193 2.081 12.555) 12.782 16.745 ( -3.620 0.602 0.855) 3.768 16.848 ( 4.907 -3.913 0.272) 6.283 17.116 ( -0.837 0.010 1.017) 1.317 17.797 ( -2.348 3.421 -5.730) 7.075 17.859 ( 0.551 -2.614 -10.887) 11.210 17.909 ( 3.500 9.886 1.543) 10.600 18.877 ( -8.024 -9.316 22.886) 25.979 19.807 ( -4.434 -10.675 -14.052) 18.195======================= Grid point 186 (34/81) =======================q-point: ( 0.33 0.17 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 362Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.527 ( -7.976 9.852 2.649) 12.950 2.581 ( -9.808 10.637 7.770) 16.423 3.035 ( 2.015 6.124 -8.857) 10.956 3.176 ( -2.374 0.351 2.152) 3.223 3.471 ( 4.355 -4.501 -5.146) 8.106 3.731 ( 0.341 10.322 11.106) 15.166 3.846 ( -0.078 -7.385 -10.467) 12.810 3.964 ( 6.584 -5.248 -0.548) 8.438 4.095 ( 2.895 -6.360 7.900) 10.547 4.326 ( -1.896 -2.963 3.386) 4.883 4.945 ( 10.701 -0.918 -10.339) 14.908 5.154 ( 14.370 13.523 -0.459) 19.738 5.518 ( -4.823 -7.311 -6.067) 10.655 5.703 ( 0.703 -6.209 2.680) 6.799 6.033 ( 9.702 3.845 7.570) 12.892 6.432 ( -3.151 -5.995 -0.555) 6.795 6.718 ( -14.838 -2.816 -3.855) 15.587 7.157 ( -4.832 4.458 -0.814) 6.624 7.332 ( 5.131 -6.154 1.810) 8.215 7.612 ( 4.426 3.832 -4.806) 7.575 7.727 ( -8.355 10.397 8.964) 16.070 7.924 ( -0.983 -2.018 0.168) 2.251 8.098 ( -4.165 -3.703 -6.529) 8.584 8.364 ( 1.877 -3.392 -3.737) 5.385 8.914 ( 0.842 -0.335 1.017) 1.362 9.013 ( 0.005 -2.875 0.566) 2.930 9.046 ( 4.695 7.247 0.996) 8.692 9.204 ( -2.026 6.288 -0.520) 6.626 9.455 ( -5.741 1.204 2.574) 6.405 9.514 ( -5.023 -0.405 -0.517) 5.066 9.899 ( 0.323 -5.113 0.550) 5.152 10.004 ( 2.050 -9.270 2.207) 9.747 10.919 ( -0.328 5.764 0.633) 5.808 11.023 ( -1.515 2.092 0.417) 2.617 11.401 ( -6.350 -1.324 1.709) 6.708 11.611 ( 1.976 -1.668 -0.122) 2.588 11.923 ( -0.504 3.760 3.474) 5.143 11.972 ( -3.581 6.754 -2.613) 8.079 12.376 ( 6.709 -3.308 -3.999) 8.482 12.429 ( 6.183 -2.274 -5.066) 8.311 12.907 ( -3.557 -3.012 5.023) 6.853 13.186 ( 3.458 -7.711 6.811) 10.854 13.323 ( 6.429 -0.097 -2.906) 7.056 13.525 ( 0.245 -8.069 -1.078) 8.144 14.120 ( 1.034 11.481 -9.747) 15.096 14.210 ( -1.669 3.226 10.050) 10.687 16.678 ( -2.796 -1.894 -0.076) 3.378 16.874 ( 5.030 -7.809 0.536) 9.305 17.141 ( 1.179 3.610 -2.655) 4.633 17.562 ( -9.314 -10.894 -6.837) 15.880 17.983 ( 1.108 11.199 -1.795) 11.396 18.045 ( -0.935 11.233 0.846) 11.304 18.770 ( -0.887 -1.586 20.993) 21.072 19.652 ( -0.845 -11.069 -14.479) 18.245======================= Grid point 187 (35/81) =======================q-point: ( 0.42 0.17 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.445 ( -7.661 13.269 5.249) 16.196 2.606 ( -5.247 9.088 4.830) 11.552 3.097 ( -3.460 5.992 -6.044) 9.187 3.146 ( -2.028 3.512 6.923) 8.024 3.470 ( 0.571 -0.990 -6.527) 6.626 3.766 ( 5.425 -9.396 -10.932) 15.402 3.804 ( -3.746 6.488 7.796) 10.812 4.034 ( 5.810 -10.063 4.429) 12.435 4.108 ( -0.282 0.488 6.342) 6.367 4.277 ( 5.053 -8.751 -0.624) 10.124 5.019 ( 3.658 -6.336 -4.223) 8.447 5.354 ( -3.831 6.635 1.739) 7.856 5.405 ( 8.259 -14.305 -3.531) 16.891 5.777 ( -2.609 4.519 -10.986) 12.163 6.165 ( -0.611 1.058 5.247) 5.388 6.329 ( 4.710 -8.158 -1.098) 9.484 6.508 ( -2.199 3.808 0.964) 4.502 7.151 ( -3.423 5.929 -0.902) 6.905 7.353 ( 4.312 -7.469 -1.874) 8.825 7.669 ( -7.975 13.813 7.646) 17.687 7.727 ( -1.706 2.956 -3.885) 5.171 7.890 ( 1.702 -2.948 -1.246) 3.625 8.045 ( 0.384 -0.666 -2.256) 2.383 8.356 ( 1.610 -2.789 -2.372) 4.000 8.929 ( 0.099 -0.171 1.219) 1.235 8.985 ( 0.130 -0.226 0.155) 0.303 9.148 ( -2.852 4.940 1.161) 5.822 9.205 ( -2.564 4.440 -0.643) 5.167 9.417 ( -2.653 4.595 3.292) 6.244 9.453 ( 0.057 -0.098 -0.571) 0.582 9.881 ( 2.523 -4.370 0.920) 5.130 9.976 ( 4.862 -8.421 2.898) 10.146 10.942 ( -3.053 5.288 4.761) 7.743 11.039 ( -2.570 4.451 -4.010) 6.519 11.326 ( -0.569 0.985 1.844) 2.166 11.622 ( 1.066 -1.846 -0.557) 2.204 11.936 ( -1.887 3.268 4.381) 5.782 11.974 ( -4.162 7.208 -2.633) 8.730 12.428 ( 3.184 -5.515 -7.618) 9.929 12.472 ( 2.800 -4.849 -4.679) 7.297 12.850 ( 1.855 -3.213 7.256) 8.150 13.181 ( 4.668 -8.086 6.427) 11.335 13.409 ( 4.335 -7.508 -3.317) 9.282 13.451 ( 1.574 -2.726 0.284) 3.161 14.198 ( -4.727 8.187 -14.242) 17.094 14.201 ( -2.135 3.698 12.947) 13.633 16.641 ( 0.783 -1.357 -0.907) 1.810 16.876 ( 5.341 -9.251 0.338) 10.687 17.187 ( -1.324 2.294 -4.974) 5.635 17.407 ( 1.161 -2.011 -1.012) 2.533 18.055 ( -5.708 9.886 -0.966) 11.456 18.088 ( -5.462 9.460 0.199) 10.925 18.762 ( 0.652 -1.130 18.969) 19.013 19.588 ( 5.172 -8.957 -14.435) 17.758======================= Grid point 194 (36/81) =======================q-point: (-0.08 0.17 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.144 ( -13.018 22.548 11.396) 28.421 1.146 ( -11.111 19.246 14.780) 26.689 2.654 ( -23.558 40.803 27.973) 54.794 2.667 ( 0.684 -1.185 -25.669) 25.706 3.098 ( -1.859 3.220 -1.086) 3.874 3.557 ( 2.683 -4.647 -4.147) 6.782 3.745 ( -1.338 2.318 -2.681) 3.788 3.936 ( 1.336 -2.314 -0.357) 2.695 4.297 ( -1.724 2.987 22.962) 23.219 4.375 ( 6.745 -11.683 -14.305) 19.663 4.708 ( -0.185 0.320 -10.117) 10.124 5.440 ( 3.878 -6.717 3.672) 8.581 5.658 ( -0.654 1.133 3.223) 3.478 5.790 ( -3.253 5.635 3.105) 7.210 6.219 ( -5.282 9.148 -2.613) 10.882 6.345 ( 3.453 -5.981 -7.970) 10.546 7.075 ( 2.955 -5.119 -1.281) 6.048 7.192 ( -0.967 1.675 3.299) 3.824 7.502 ( 11.307 -19.584 -8.239) 24.068 7.619 ( -0.450 0.779 9.374) 9.418 7.939 ( 0.160 -0.277 0.684) 0.755 8.038 ( -2.156 3.734 2.017) 4.760 8.158 ( -3.149 5.454 -8.106) 10.265 8.368 ( -3.053 5.288 -11.464) 12.988 8.685 ( -0.518 0.897 10.744) 10.794 8.848 ( 10.076 -17.452 13.512) 24.263 9.305 ( 0.485 -0.840 2.590) 2.765 9.430 ( 3.098 -5.366 0.016) 6.196 9.584 ( -1.309 2.267 0.391) 2.646 9.606 ( 0.210 -0.363 0.411) 0.587 10.520 ( 5.812 -10.067 -0.613) 11.640 10.656 ( 8.938 -15.481 -2.147) 18.004 11.117 ( 0.505 -0.875 1.261) 1.615 11.143 ( 2.058 -3.564 -1.516) 4.386 11.707 ( 1.430 -2.476 -0.071) 2.860 11.736 ( -2.362 4.090 1.450) 4.941 11.790 ( 0.319 -0.553 -0.411) 0.760 11.802 ( 2.548 -4.414 1.581) 5.336 12.334 ( 1.526 -2.642 -2.821) 4.155 12.355 ( 0.689 -1.194 0.736) 1.563 12.520 ( -3.648 6.319 -0.228) 7.300 13.143 ( -6.376 11.043 -1.658) 12.859 13.172 ( -4.873 8.440 3.740) 10.438 13.211 ( -2.631 4.558 1.891) 5.592 13.331 ( -9.708 16.815 2.766) 19.613 13.550 ( -5.312 9.201 -26.252) 28.320 16.621 ( -2.204 3.817 1.805) 4.763 16.774 ( 1.499 -2.596 -2.761) 4.075 17.308 ( 0.115 -0.199 2.778) 2.788 17.375 ( -4.272 7.400 2.070) 8.792 17.498 ( -2.901 5.025 -0.057) 5.803 17.650 ( -6.397 11.080 -2.075) 12.961 20.345 ( 16.135 -27.947 1.485) 32.304 20.456 ( 6.932 -12.007 2.885) 14.161======================= Grid point 198 (37/81) =======================q-point: ( 0.25 0.25 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.638 ( 4.422 7.660 6.684) 11.086 2.837 ( -0.326 -0.564 -3.702) 3.759 3.087 ( -0.799 -1.385 -2.738) 3.171 3.103 ( 6.557 11.357 -7.509) 15.111 3.359 ( -1.508 -2.612 -0.830) 3.128 3.786 ( -6.290 -10.894 -18.924) 22.724 3.806 ( -1.034 -1.791 -6.736) 7.047 3.842 ( 8.110 14.047 16.753) 23.319 4.058 ( -5.368 -9.298 11.444) 15.691 4.437 ( 1.101 1.907 9.584) 9.834 4.686 ( -2.096 -3.631 8.508) 9.485 5.167 ( 16.441 28.476 -19.371) 38.163 5.518 ( -9.589 -16.608 -0.599) 19.187 5.697 ( -0.828 -1.434 -1.628) 2.322 5.938 ( 4.704 8.148 12.371) 15.542 6.433 ( -4.082 -7.070 -0.367) 8.172 6.877 ( -0.380 -0.658 -7.609) 7.646 7.155 ( -7.913 -13.706 1.663) 15.913 7.314 ( 2.764 4.788 -5.034) 7.477 7.536 ( 2.227 3.857 -3.477) 5.650 7.867 ( 1.956 3.387 8.747) 9.582 7.950 ( 1.336 2.315 3.557) 4.449 8.114 ( -6.137 -10.629 -8.429) 14.890 8.311 ( 0.310 0.538 -1.902) 2.001 8.912 ( 0.277 0.480 0.659) 0.861 8.982 ( 1.260 2.182 0.998) 2.710 9.047 ( 3.198 5.540 1.801) 6.646 9.261 ( 3.011 5.216 -0.220) 6.027 9.524 ( -1.424 -2.467 2.409) 3.730 9.560 ( -2.396 -4.150 -0.674) 4.840 9.869 ( -2.709 -4.692 0.568) 5.447 9.926 ( -4.034 -6.987 2.632) 8.487 10.955 ( 3.643 6.310 -2.566) 7.725 11.041 ( -0.494 -0.855 3.121) 3.274 11.485 ( -1.829 -3.168 2.265) 4.303 11.553 ( -0.750 -1.299 -2.851) 3.222 11.958 ( 2.344 4.060 4.770) 6.688 12.064 ( 2.918 5.055 -4.565) 7.410 12.288 ( -0.250 -0.433 0.847) 0.983 12.332 ( 0.569 0.985 -4.450) 4.593 12.965 ( -1.619 -2.804 1.050) 3.404 13.052 ( -5.724 -9.914 6.940) 13.387 13.287 ( 2.383 4.127 -3.345) 5.823 13.489 ( -1.989 -3.446 -0.096) 3.980 14.173 ( 5.690 9.856 -13.561) 17.703 14.234 ( 0.550 0.952 13.631) 13.675 16.733 ( -1.752 -3.035 1.626) 3.864 16.751 ( -2.394 -4.147 -0.976) 4.887 17.149 ( 1.673 2.897 -1.784) 3.791 17.588 ( -7.461 -12.923 -7.933) 16.899 18.030 ( 6.320 10.947 -1.838) 12.773 18.114 ( 5.396 9.346 1.462) 10.890 18.770 ( -1.705 -2.953 21.861) 22.125 19.600 ( -5.908 -10.233 -15.558) 19.536======================= Grid point 199 (38/81) =======================q-point: ( 0.33 0.25 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.730 ( -6.805 10.769 -1.343) 12.810 2.775 ( -4.918 8.196 2.956) 10.005 3.143 ( 3.497 4.487 -4.684) 7.369 3.250 ( -2.829 7.957 1.711) 8.617 3.409 ( 7.786 -2.254 -2.150) 8.386 3.573 ( -1.096 -14.657 -17.804) 23.087 3.775 ( 1.601 -6.170 -5.718) 8.563 3.872 ( 0.044 -8.475 6.205) 10.504 4.111 ( 6.995 4.793 8.936) 12.319 4.363 ( -13.762 10.041 14.139) 22.138 4.761 ( 14.814 -8.741 9.760) 19.776 5.161 ( -3.681 -19.940 0.283) 20.279 5.602 ( -6.178 17.997 -5.533) 19.816 5.817 ( 13.726 14.014 -11.878) 22.932 6.103 ( 6.863 3.669 6.745) 10.299 6.239 ( -6.104 -12.595 -0.496) 14.005 6.700 ( -17.063 0.232 -6.278) 18.183 7.016 ( 8.958 -16.118 -6.439) 19.532 7.401 ( -2.898 10.819 -3.834) 11.839 7.662 ( 8.804 1.689 -3.948) 9.795 7.851 ( -6.207 -8.159 -5.005) 11.409 7.928 ( -5.097 9.591 9.064) 14.146 8.046 ( 2.466 0.721 3.170) 4.081 8.295 ( 0.573 -4.219 1.524) 4.522 8.939 ( 0.441 2.506 0.896) 2.698 8.987 ( 0.007 0.114 0.721) 0.730 9.198 ( 3.384 7.362 2.221) 8.402 9.297 ( -2.890 2.697 -0.201) 3.958 9.464 ( -2.491 -0.945 0.251) 2.676 9.482 ( -1.915 -2.014 0.654) 2.854 9.812 ( 0.473 -3.634 2.000) 4.175 9.837 ( 1.354 -6.737 4.739) 8.348 11.019 ( -1.701 2.208 3.096) 4.166 11.098 ( 2.893 6.815 -3.753) 8.300 11.395 ( -5.923 0.878 0.264) 5.993 11.552 ( 3.049 -4.547 -2.633) 6.074 12.017 ( -1.463 5.791 7.727) 9.766 12.128 ( -3.301 8.757 -4.676) 10.462 12.315 ( 4.740 -2.788 -2.269) 5.949 12.349 ( 3.373 -5.783 -3.286) 7.458 12.837 ( -4.552 -3.403 2.834) 6.352 12.959 ( 4.948 -12.544 3.328) 13.889 13.354 ( 1.920 2.037 -1.614) 3.231 13.429 ( -1.258 -2.845 0.590) 3.166 14.245 ( -0.444 1.452 13.395) 13.481 14.313 ( 0.439 7.083 -16.303) 17.781 16.641 ( -2.940 -1.586 -0.614) 3.396 16.720 ( 3.193 -7.098 0.380) 7.792 17.213 ( 1.524 3.798 -2.461) 4.775 17.392 ( -3.764 -6.728 -1.992) 7.962 18.206 ( 0.929 10.597 -0.916) 10.677 18.240 ( -1.235 8.183 0.968) 8.332 18.735 ( 0.133 -1.991 19.826) 19.927 19.444 ( -0.096 -9.607 -16.595) 19.175======================= Grid point 205 (39/81) =======================q-point: (-0.17 0.25 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.501 ( -9.840 19.863 9.234) 24.013 1.791 ( -36.354 12.920 -5.159) 38.925 2.651 ( 3.415 4.951 -18.431) 19.387 3.097 ( -2.769 0.408 1.928) 3.399 3.378 ( -14.212 24.768 9.567) 30.116 3.471 ( -0.482 -3.259 -1.004) 3.444 3.829 ( 5.232 -6.681 -1.146) 8.563 3.842 ( -4.906 2.915 -7.415) 9.357 4.145 ( 7.207 -7.125 -11.110) 15.038 4.494 ( -9.788 12.674 17.050) 23.391 4.715 ( 0.533 5.017 -1.572) 5.285 5.277 ( 11.180 -1.385 16.580) 20.045 5.700 ( -5.742 -4.206 4.048) 8.188 5.859 ( -0.982 -2.492 3.760) 4.617 6.157 ( 10.100 3.055 -3.123) 11.005 6.336 ( -2.300 -3.564 -3.859) 5.735 7.007 ( 0.092 -6.723 -4.001) 7.824 7.165 ( 6.725 -9.573 -6.156) 13.220 7.265 ( -3.603 -0.518 -1.137) 3.814 7.589 ( 1.593 -1.189 5.112) 5.485 7.855 ( 9.803 1.525 3.017) 10.369 8.149 ( -4.404 5.923 1.631) 7.559 8.231 ( 1.068 1.003 -0.911) 1.725 8.368 ( 0.962 -10.152 -13.024) 16.541 8.652 ( 1.563 4.526 3.671) 6.034 8.747 ( -4.719 -0.586 3.465) 5.884 9.268 ( 1.284 -2.748 1.368) 3.327 9.349 ( -0.771 -8.350 -0.600) 8.407 9.606 ( 1.949 4.810 0.952) 5.277 9.609 ( 2.580 0.922 0.278) 2.754 10.294 ( 9.630 -9.051 -1.235) 13.273 10.388 ( 6.260 -12.189 -1.929) 13.838 11.053 ( 4.131 -1.053 -0.377) 4.280 11.095 ( 2.051 -1.963 0.378) 2.864 11.637 ( 2.425 -2.511 1.835) 3.944 11.692 ( 4.558 -4.902 2.145) 7.029 11.801 ( -0.855 2.645 0.901) 2.922 11.830 ( -2.649 2.216 -1.228) 3.665 12.286 ( 1.140 -0.638 -2.369) 2.705 12.359 ( -1.551 1.408 0.430) 2.139 12.654 ( -6.110 3.759 -0.713) 7.209 13.202 ( 3.726 4.617 -2.792) 6.557 13.328 ( -5.992 2.883 4.047) 7.784 13.394 ( -9.135 6.288 -0.168) 11.091 13.614 ( -4.665 9.206 -3.308) 10.838 13.747 ( -13.211 5.728 -3.123) 14.734 16.691 ( -0.596 3.218 0.686) 3.343 16.756 ( -3.001 -1.507 -2.177) 4.002 17.279 ( 1.770 -2.730 6.452) 7.226 17.520 ( -3.085 9.315 1.709) 9.960 17.606 ( -4.275 5.948 1.035) 7.397 17.869 ( -7.440 8.684 -4.924) 12.451 19.704 ( 24.865 -30.666 3.950) 39.677 20.254 ( 6.997 -6.528 -4.810) 10.710======================= Grid point 211 (40/81) =======================q-point: ( 0.33 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 81Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.860 ( -0.027 -0.047 -1.909) 1.909 2.860 ( 0.027 0.047 -1.909) 1.909 3.287 ( -5.680 -9.838 -6.831) 13.255 3.287 ( 5.680 9.838 -6.831) 13.255 3.384 ( -1.677 -2.905 -0.199) 3.360 3.384 ( 1.677 2.905 -0.199) 3.360 3.686 ( -0.000 -0.000 -8.789) 8.789 3.769 ( -0.000 -0.000 2.410) 2.410 4.139 ( -0.000 -0.000 7.096) 7.096 4.624 ( -5.059 -8.763 14.755) 17.891 4.624 ( 5.059 8.763 14.755) 17.891 4.870 ( 0.000 0.000 -0.450) 0.450 5.837 ( 0.000 0.000 1.679) 1.679 6.010 ( -2.828 -4.898 -3.490) 6.646 6.010 ( 2.828 4.898 -3.490) 6.646 6.197 ( -0.000 -0.000 -5.991) 5.991 6.746 ( -3.696 -6.401 -8.767) 11.467 6.746 ( 3.696 6.401 -8.767) 11.467 7.621 ( -5.059 -8.763 -5.307) 11.426 7.621 ( 5.059 8.763 -5.307) 11.426 7.710 ( -0.000 -0.000 -3.226) 3.226 8.058 ( -1.039 -1.800 7.192) 7.486 8.058 ( 1.039 1.800 7.192) 7.486 8.228 ( 0.000 0.000 4.218) 4.218 8.973 ( -0.000 -0.000 0.955) 0.955 8.995 ( -0.000 -0.000 0.787) 0.787 9.298 ( -1.299 -2.249 1.250) 2.882 9.298 ( 1.299 2.249 1.250) 2.882 9.451 ( -0.353 -0.612 -0.933) 1.170 9.451 ( 0.353 0.612 -0.933) 1.170 9.773 ( -0.049 -0.085 5.207) 5.208 9.773 ( 0.049 0.085 5.207) 5.208 11.034 ( -0.000 -0.000 2.749) 2.749 11.186 ( -0.000 -0.000 -3.976) 3.976 11.450 ( -2.487 -4.307 -2.206) 5.441 11.450 ( 2.487 4.307 -2.206) 5.441 12.106 ( 0.000 0.000 12.619) 12.619 12.248 ( -0.266 -0.460 -1.803) 1.880 12.248 ( 0.266 0.460 -1.803) 1.880 12.283 ( -0.000 -0.000 -9.063) 9.063 12.806 ( -0.755 -1.307 1.835) 2.376 12.806 ( 0.755 1.307 1.835) 2.376 13.389 ( -0.849 -1.471 0.034) 1.699 13.389 ( 0.849 1.471 0.034) 1.699 14.258 ( -0.000 -0.000 13.588) 13.588 14.385 ( -0.000 -0.000 -17.880) 17.880 16.635 ( -0.765 -1.325 0.017) 1.530 16.635 ( 0.765 1.325 0.017) 1.530 17.290 ( -2.154 -3.731 -1.392) 4.528 17.290 ( 2.154 3.731 -1.392) 4.528 18.325 ( -0.199 -0.345 0.317) 0.509 18.325 ( 0.199 0.345 0.317) 0.509 18.710 ( -0.000 -0.000 20.023) 20.023 19.338 ( -0.000 -0.000 -18.149) 18.149======================= Grid point 218 (41/81) =======================q-point: (-0.25 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.836 ( -9.489 15.803 7.704) 19.978 2.487 ( -31.691 6.411 -8.588) 33.454 2.657 ( 4.111 12.229 -1.448) 12.982 3.082 ( 3.578 0.617 -6.623) 7.553 3.469 ( -2.904 -5.201 -4.701) 7.589 3.626 ( 4.558 -9.131 0.874) 10.243 3.751 ( -7.847 8.278 0.578) 11.421 3.917 ( -0.764 -0.323 -13.028) 13.054 4.074 ( -5.674 -0.743 -2.188) 6.126 4.700 ( 0.869 14.712 -11.180) 18.499 4.742 ( 14.022 3.049 26.248) 29.914 5.240 ( -12.558 11.740 25.883) 31.072 5.743 ( -5.488 -8.308 7.571) 12.508 5.800 ( 0.663 -7.653 -5.232) 9.294 6.017 ( 8.250 -6.083 -3.502) 10.831 6.311 ( -1.413 1.619 -7.933) 8.219 6.980 ( -1.702 -1.619 -1.776) 2.946 7.112 ( -0.669 2.464 -3.466) 4.305 7.213 ( 3.094 -7.737 5.287) 9.868 7.550 ( 7.870 -0.101 2.819) 8.360 7.720 ( 4.549 3.051 0.034) 5.477 8.099 ( 5.376 -7.502 0.723) 9.258 8.219 ( 3.365 0.712 -5.351) 6.361 8.323 ( -3.783 -2.957 -7.161) 8.622 8.744 ( -4.600 5.630 0.635) 7.298 8.865 ( -6.463 4.740 -0.486) 8.030 9.216 ( 0.213 -6.422 0.523) 6.447 9.283 ( -0.741 -7.978 0.494) 8.028 9.518 ( 8.902 1.188 0.382) 8.989 9.587 ( 7.524 5.795 -0.247) 9.500 10.082 ( 5.006 -6.388 0.090) 8.116 10.217 ( 2.629 -8.170 -1.822) 8.774 10.983 ( 2.930 -2.286 -1.983) 4.212 11.024 ( 5.067 1.076 2.698) 5.840 11.553 ( 5.534 -5.407 2.928) 8.273 11.589 ( 1.303 -1.460 1.660) 2.567 11.836 ( -1.077 1.434 0.244) 1.811 11.889 ( -0.967 3.339 -0.337) 3.493 12.295 ( -2.599 -0.400 -3.679) 4.522 12.445 ( -5.408 4.304 -1.153) 7.007 12.785 ( -5.220 3.232 0.952) 6.212 13.154 ( 2.403 -3.013 -0.978) 3.976 13.442 ( -7.086 -2.008 3.235) 8.044 13.572 ( -5.473 5.225 -1.671) 7.749 13.706 ( -4.876 -3.400 -4.470) 7.437 14.040 ( -7.104 16.221 6.072) 18.721 16.706 ( 0.087 1.183 0.501) 1.287 16.823 ( -4.690 -1.304 -2.257) 5.365 17.218 ( 1.995 -1.372 6.766) 7.186 17.658 ( -2.445 9.416 1.048) 9.785 17.742 ( -3.513 7.721 0.690) 8.511 18.019 ( -1.985 1.720 -13.598) 13.850 19.011 ( 21.528 -25.986 13.110) 36.202 20.087 ( 6.517 -5.028 -8.058) 11.519======================= Grid point 219 (42/81) =======================q-point: (-0.17 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 199Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.955 ( -10.876 18.837 -1.088) 21.779 2.108 ( -13.997 24.244 -6.528) 28.745 2.794 ( -5.347 9.261 -9.396) 14.235 3.120 ( -1.854 3.212 5.114) 6.317 3.360 ( 2.903 -5.029 -5.261) 7.835 3.647 ( 6.513 -11.281 -0.411) 13.033 3.729 ( -5.571 9.649 -2.645) 11.452 3.932 ( -3.166 5.483 -3.133) 7.064 3.994 ( 4.035 -6.989 -9.552) 12.505 4.788 ( -5.395 9.344 -8.689) 13.853 4.933 ( -11.834 20.497 24.959) 34.397 5.158 ( 6.685 -11.579 23.894) 27.381 5.608 ( 1.206 -2.088 11.057) 11.317 5.760 ( 2.866 -4.964 -1.090) 5.835 6.084 ( 10.737 -18.596 -5.932) 22.278 6.301 ( -4.295 7.439 -6.142) 10.559 6.954 ( -1.060 1.835 -5.257) 5.668 7.134 ( -2.293 3.972 -8.149) 9.351 7.197 ( 3.676 -6.367 6.019) 9.501 7.587 ( -0.278 0.481 -0.973) 1.121 7.836 ( 1.511 -2.617 4.913) 5.768 8.079 ( 7.147 -12.379 2.109) 14.449 8.262 ( -2.293 3.971 0.273) 4.594 8.266 ( 1.703 -2.949 -13.223) 13.655 8.749 ( -1.760 3.048 0.523) 3.558 8.817 ( -5.533 9.584 0.157) 11.068 9.201 ( 3.444 -5.965 -1.226) 6.996 9.202 ( 2.253 -3.902 0.988) 4.612 9.630 ( 0.241 -0.417 1.507) 1.582 9.667 ( -0.979 1.695 1.840) 2.686 10.129 ( 4.839 -8.381 -2.041) 9.890 10.158 ( 5.894 -10.209 -0.866) 11.820 10.999 ( 1.846 -3.198 -2.589) 4.510 11.079 ( 0.612 -1.061 3.458) 3.669 11.575 ( 4.000 -6.928 2.236) 8.307 11.598 ( 1.052 -1.822 1.151) 2.398 11.834 ( -0.318 0.550 1.062) 1.238 11.897 ( -2.954 5.116 -1.919) 6.212 12.270 ( 0.066 -0.114 -1.286) 1.292 12.415 ( -2.509 4.345 1.189) 5.157 12.761 ( -3.728 6.458 -1.321) 7.573 13.172 ( 3.980 -6.893 -3.524) 8.705 13.368 ( -0.570 0.988 4.760) 4.895 13.468 ( -2.398 4.153 -3.036) 5.676 13.709 ( -2.452 4.247 -7.199) 8.710 14.055 ( -10.589 18.341 9.050) 23.031 16.727 ( -0.188 0.326 -1.924) 1.960 16.761 ( -0.999 1.731 0.655) 2.104 17.226 ( 1.336 -2.315 6.251) 6.798 17.700 ( -4.987 8.637 -0.156) 9.974 17.749 ( -5.147 8.915 2.396) 10.569 18.002 ( -2.288 3.963 -11.642) 12.509 19.070 ( 18.894 -32.726 9.992) 39.087 20.117 ( 4.390 -7.604 -6.933) 11.188======================= Grid point 231 (43/81) =======================q-point: (-0.33 0.42 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.129 ( -9.400 12.969 7.171) 17.550 2.612 ( 10.249 12.242 11.520) 19.689 2.980 ( -6.864 6.141 -2.382) 9.513 3.108 ( -10.656 3.641 -7.937) 13.777 3.250 ( 11.404 -9.062 2.486) 14.777 3.597 ( 1.054 -3.176 -5.356) 6.315 3.881 ( -6.013 -2.806 -1.976) 6.924 4.018 ( -13.258 -1.580 -17.061) 21.665 4.207 ( -8.446 -0.863 1.554) 8.631 4.435 ( 15.391 -1.661 21.388) 26.402 4.852 ( 0.867 18.187 -13.645) 22.754 5.510 ( 6.009 -6.008 0.058) 8.497 5.680 ( -11.083 -11.282 3.362) 16.168 5.771 ( -5.873 -0.457 8.333) 10.205 5.982 ( -9.091 0.124 2.296) 9.378 6.382 ( -0.882 4.721 -4.703) 6.722 6.968 ( 4.277 -1.092 6.497) 7.854 7.018 ( 6.854 0.904 -4.452) 8.223 7.194 ( 4.077 -1.300 1.296) 4.471 7.405 ( 2.627 4.063 7.532) 8.952 7.689 ( 4.133 1.844 -0.369) 4.540 7.992 ( 1.017 -5.971 -5.193) 7.978 8.150 ( 2.646 0.531 -4.743) 5.457 8.332 ( -1.472 -5.497 -6.987) 9.011 8.885 ( -4.969 3.545 0.412) 6.118 9.008 ( -3.845 5.077 -0.356) 6.379 9.131 ( 2.486 -4.164 1.120) 4.977 9.223 ( 0.105 -6.088 1.640) 6.306 9.362 ( 10.898 2.249 0.098) 11.129 9.498 ( 6.352 4.267 -1.966) 7.901 10.017 ( -1.295 -2.700 2.671) 4.013 10.133 ( -0.118 -5.686 -1.363) 5.848 10.870 ( 6.532 -3.217 0.506) 7.299 11.000 ( 1.416 4.297 1.418) 4.741 11.416 ( 4.581 -4.702 2.824) 7.146 11.562 ( 0.167 -2.049 0.516) 2.120 11.863 ( -1.339 -0.119 -0.360) 1.392 11.922 ( 1.959 5.323 0.980) 5.756 12.349 ( -4.029 -0.728 -6.150) 7.388 12.608 ( -7.356 5.831 -4.909) 10.593 12.880 ( -3.465 1.022 4.225) 5.559 13.081 ( 0.657 -6.003 2.933) 6.714 13.529 ( -8.106 -5.834 2.441) 10.281 13.676 ( -3.925 -0.293 -2.270) 4.543 13.727 ( -1.742 -3.148 -2.919) 4.633 14.275 ( -1.097 17.884 6.673) 19.120 16.720 ( -0.270 1.284 1.851) 2.269 16.867 ( -4.154 -3.904 -3.914) 6.915 17.209 ( -0.619 1.520 4.434) 4.728 17.766 ( 1.137 6.077 -0.005) 6.183 17.841 ( 8.806 -6.024 -13.764) 17.415 17.864 ( 4.438 2.902 -4.554) 6.990 18.654 ( 0.428 -8.819 20.267) 22.106 19.943 ( 4.997 -4.266 -8.563) 10.793======================= Grid point 232 (44/81) =======================q-point: (-0.25 0.42 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.213 ( -1.310 20.313 1.183) 20.390 2.631 ( -22.853 9.675 -6.937) 25.768 2.980 ( -0.258 19.244 4.204) 19.699 3.130 ( 6.388 5.215 -3.027) 8.785 3.370 ( 5.396 -6.190 -3.272) 8.840 3.449 ( -9.534 -6.426 2.425) 11.750 3.802 ( -1.122 -2.439 -13.613) 13.875 3.879 ( 0.855 -3.992 -8.235) 9.191 4.068 ( -7.015 1.382 3.278) 7.865 4.749 ( 22.866 -1.335 23.917) 33.116 5.003 ( -4.659 12.780 -4.226) 14.244 5.257 ( -13.583 -14.342 8.931) 21.678 5.624 ( 13.123 -14.167 -10.241) 21.858 5.694 ( -3.174 1.088 3.679) 4.979 5.812 ( -10.146 1.463 10.590) 14.739 6.426 ( -1.280 5.687 -4.447) 7.332 7.020 ( 1.668 2.195 1.107) 2.971 7.075 ( -0.066 -3.338 -1.139) 3.527 7.228 ( -0.759 7.731 -4.400) 8.927 7.561 ( 5.309 1.815 3.214) 6.466 7.768 ( 5.689 1.708 0.606) 5.971 7.916 ( -1.852 -9.335 -0.794) 9.550 8.186 ( 2.979 -3.305 -6.277) 7.694 8.270 ( 0.732 -4.510 -5.049) 6.810 8.857 ( -4.555 6.982 1.187) 8.421 8.984 ( -3.690 3.836 0.965) 5.409 9.118 ( 1.296 -1.723 0.021) 2.156 9.158 ( -2.007 -3.097 -0.346) 3.706 9.552 ( 8.563 1.108 1.901) 8.842 9.661 ( 5.022 1.182 0.875) 5.233 9.967 ( 3.045 -5.232 0.276) 6.060 10.051 ( -1.609 -8.561 -0.903) 8.758 10.939 ( 3.455 -1.195 -2.106) 4.219 11.054 ( 1.194 1.021 4.352) 4.627 11.440 ( 4.351 -5.713 0.755) 7.221 11.560 ( 1.451 -2.042 -0.331) 2.527 11.837 ( -0.584 -1.036 -0.034) 1.190 12.004 ( -1.285 8.293 -0.528) 8.408 12.295 ( -2.368 0.996 -1.093) 2.791 12.526 ( -6.061 3.830 -0.460) 7.185 12.870 ( -1.456 4.545 0.567) 4.806 13.020 ( 1.796 -10.253 -0.477) 10.420 13.391 ( -2.673 -2.063 3.129) 4.603 13.523 ( -3.783 -4.312 -3.022) 6.484 13.775 ( -0.331 4.435 -4.797) 6.541 14.376 ( -6.918 17.043 8.298) 20.179 16.734 ( 0.569 1.424 0.428) 1.592 16.781 ( -2.217 -2.807 -1.202) 3.774 17.206 ( -0.300 0.119 4.370) 4.382 17.844 ( -1.565 8.420 -0.970) 8.619 17.913 ( 3.309 0.358 -9.670) 10.227 17.938 ( 2.369 -1.806 -9.579) 10.032 18.590 ( 6.120 -14.577 19.950) 25.454 19.968 ( 4.693 -7.077 -7.127) 11.086======================= Grid point 244 (45/81) =======================q-point: (-0.42 0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.395 ( -7.188 10.575 5.700) 14.000 2.546 ( 11.634 14.784 18.263) 26.219 2.902 ( 11.396 -5.347 4.581) 13.396 3.095 ( 0.812 8.333 4.247) 9.388 3.388 ( -9.099 1.144 -1.950) 9.375 3.507 ( 4.486 -1.840 -6.030) 7.738 3.879 ( -2.575 -8.110 -6.664) 10.808 4.216 ( -6.020 -9.327 -4.838) 12.109 4.265 ( -5.802 2.341 3.764) 7.301 4.340 ( -1.884 -1.062 2.908) 3.624 4.962 ( 5.113 13.209 -13.159) 19.333 5.324 ( 0.071 -10.493 -17.232) 20.176 5.703 ( -10.717 -18.749 9.412) 23.558 5.873 ( -5.397 -2.270 -0.848) 5.916 6.205 ( -6.120 7.273 7.712) 12.241 6.394 ( 0.647 -1.594 -1.788) 2.482 6.836 ( 9.364 5.753 11.601) 15.980 6.997 ( 2.356 4.949 -2.735) 6.125 7.049 ( 7.348 1.344 0.628) 7.496 7.484 ( -1.402 3.657 3.399) 5.186 7.674 ( 0.956 5.280 2.685) 6.000 7.899 ( 2.713 -4.553 -4.640) 7.044 8.155 ( -0.894 0.591 -2.444) 2.669 8.292 ( -1.628 -6.204 -10.483) 12.290 8.919 ( 0.148 -1.730 -0.126) 1.740 9.074 ( -0.507 1.058 0.579) 1.308 9.107 ( 0.876 3.254 2.118) 3.980 9.141 ( 3.337 -2.365 -2.661) 4.879 9.273 ( 4.081 5.717 4.838) 8.529 9.477 ( 0.530 1.369 -2.963) 3.307 10.031 ( -1.643 -1.001 4.718) 5.095 10.099 ( -2.106 -5.417 -0.941) 5.888 10.749 ( 4.258 -0.747 2.034) 4.778 11.032 ( 1.305 5.371 0.328) 5.537 11.324 ( 1.844 -2.422 2.977) 4.257 11.544 ( -1.092 -3.081 -0.965) 3.408 11.878 ( -1.125 -1.154 -0.779) 1.790 11.932 ( 3.363 6.147 1.640) 7.196 12.397 ( -2.608 -1.529 -8.730) 9.239 12.756 ( -2.275 5.444 -8.945) 10.716 12.927 ( -5.126 -5.419 6.347) 9.794 13.023 ( 1.145 -2.733 8.017) 8.548 13.606 ( -9.413 -8.643 1.896) 12.919 13.674 ( -3.839 -12.135 -0.212) 12.730 13.737 ( 2.124 5.316 -4.745) 7.436 14.410 ( 5.379 16.867 6.411) 18.829 16.734 ( 0.202 1.222 2.884) 3.139 16.911 ( -5.673 -4.674 -6.864) 10.057 17.253 ( -2.532 2.159 1.822) 3.794 17.440 ( 11.634 -11.448 -7.686) 18.041 17.841 ( 1.693 6.224 -2.124) 6.791 17.919 ( 2.622 7.757 0.244) 8.191 18.654 ( -3.976 -4.156 14.735) 15.818 19.852 ( 1.510 -2.663 -8.203) 8.756======================= Grid point 245 (46/81) =======================q-point: (-0.33 0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 362Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.429 ( -3.585 16.264 3.277) 16.974 2.884 ( 6.929 12.886 10.229) 17.852 3.082 ( 12.922 -4.415 -1.127) 13.701 3.169 ( -4.363 11.558 -0.726) 12.375 3.239 ( -9.733 10.303 -1.424) 14.245 3.571 ( 1.625 -0.165 -1.337) 2.111 3.754 ( -0.149 -7.916 -11.167) 13.689 3.974 ( -14.225 -3.052 -10.807) 18.123 4.175 ( -5.711 -1.661 5.301) 7.968 4.394 ( 13.108 -3.693 16.181) 21.149 5.158 ( -3.557 -0.139 4.772) 5.953 5.243 ( 2.481 -22.246 -11.610) 25.216 5.282 ( -0.619 -7.289 -3.081) 7.937 5.761 ( -7.905 0.265 -3.487) 8.644 6.109 ( -10.901 6.929 9.521) 16.046 6.412 ( 3.980 -4.003 -0.167) 5.647 6.956 ( 2.405 2.060 4.410) 5.429 7.107 ( 3.011 3.831 -6.013) 7.739 7.251 ( 7.264 7.808 -4.080) 11.418 7.533 ( 1.127 8.699 7.648) 11.638 7.735 ( 0.824 2.544 0.076) 2.676 7.887 ( -0.104 -3.753 -1.576) 4.072 8.140 ( -0.260 -1.467 -1.515) 2.125 8.195 ( -0.611 -8.357 -8.959) 12.267 8.927 ( 1.235 1.067 0.806) 1.821 9.037 ( -1.110 -2.445 -0.033) 2.685 9.112 ( -2.966 2.357 3.498) 5.156 9.214 ( 0.366 5.350 -1.090) 5.472 9.420 ( 7.710 2.580 2.190) 8.420 9.548 ( 6.660 0.640 -0.541) 6.712 9.940 ( -4.098 -5.048 2.466) 6.954 10.010 ( -1.816 -6.788 1.477) 7.181 10.852 ( 6.419 1.854 -0.250) 6.686 11.088 ( -1.561 4.546 1.981) 5.199 11.333 ( 2.964 -3.574 0.161) 4.645 11.510 ( 1.059 -3.606 -2.198) 4.354 11.837 ( -1.288 -2.168 -0.874) 2.669 12.076 ( 3.597 10.363 1.552) 11.078 12.354 ( -2.652 1.511 -3.439) 4.598 12.682 ( -8.377 1.394 -6.225) 10.530 12.839 ( 0.356 -6.878 5.606) 8.880 12.986 ( -2.294 -2.832 5.034) 6.215 13.406 ( -3.321 -5.688 0.602) 6.614 13.520 ( -3.546 -7.699 -1.620) 8.630 13.806 ( 0.999 3.397 -4.585) 5.793 14.602 ( -1.122 15.191 6.461) 16.546 16.734 ( -0.681 -0.711 2.544) 2.728 16.795 ( -2.713 -2.974 -3.258) 5.179 17.228 ( -1.527 0.525 1.968) 2.545 17.526 ( 13.684 -16.149 -11.805) 24.236 17.950 ( 1.070 9.233 -1.994) 9.507 18.051 ( 1.476 11.053 1.398) 11.239 18.530 ( -4.910 -5.112 12.935) 14.749 19.839 ( 2.493 -6.271 -6.441) 9.329======================= Grid point 246 (47/81) =======================q-point: (-0.25 0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.521 ( -6.535 11.318 2.196) 13.253 2.887 ( -8.652 14.986 -5.179) 18.062 3.172 ( 2.525 -4.373 -2.786) 5.767 3.227 ( -1.579 2.735 -0.108) 3.160 3.355 ( -3.053 5.287 2.398) 6.559 3.491 ( -8.700 15.068 7.528) 18.958 3.753 ( 0.127 -0.221 -20.949) 20.951 3.787 ( 2.229 -3.861 -4.919) 6.639 4.107 ( -1.091 1.889 5.698) 6.101 4.653 ( 7.594 -13.152 18.427) 23.879 4.786 ( 9.465 -16.394 19.763) 27.367 5.203 ( 10.494 -18.176 -14.656) 25.599 5.425 ( -7.366 12.758 -11.761) 18.851 5.640 ( 0.169 -0.292 -4.068) 4.082 6.045 ( -6.405 11.095 11.682) 17.337 6.429 ( 3.646 -6.316 -0.483) 7.309 6.986 ( -0.021 0.037 -1.052) 1.053 7.145 ( -2.219 3.843 -0.509) 4.467 7.362 ( -3.015 5.223 -7.653) 9.744 7.620 ( -1.888 3.271 0.841) 3.869 7.754 ( 0.333 -0.576 1.109) 1.294 7.839 ( -0.465 0.806 4.249) 4.349 8.128 ( 1.222 -2.117 -0.980) 2.634 8.147 ( 4.238 -7.341 -8.271) 11.843 8.966 ( 0.881 -1.526 1.884) 2.580 8.995 ( -2.147 3.719 -0.896) 4.386 9.094 ( -1.392 2.411 5.298) 5.985 9.241 ( -3.393 5.876 -2.076) 7.096 9.522 ( 2.445 -4.236 1.294) 5.059 9.625 ( 2.576 -4.461 1.221) 5.294 9.887 ( 2.063 -3.573 2.175) 4.664 9.923 ( 2.055 -3.560 1.181) 4.277 10.940 ( -0.274 0.475 -1.774) 1.857 11.074 ( -1.354 2.344 3.878) 4.730 11.348 ( 2.209 -3.826 -2.308) 4.985 11.503 ( 2.230 -3.862 -2.623) 5.174 11.813 ( 0.663 -1.148 -0.311) 1.361 12.183 ( -5.279 9.143 0.024) 10.557 12.340 ( -2.069 3.584 0.689) 4.196 12.593 ( -2.103 3.642 -0.742) 4.270 12.794 ( 6.089 -10.547 1.135) 12.231 12.945 ( -0.591 1.024 2.281) 2.569 13.379 ( -0.047 0.082 1.904) 1.907 13.433 ( 2.686 -4.652 -3.158) 6.231 13.832 ( -0.929 1.610 -4.417) 4.792 14.665 ( -7.217 12.499 6.334) 15.762 16.715 ( 1.368 -2.369 0.217) 2.744 16.765 ( -0.180 0.312 0.123) 0.381 17.217 ( -0.477 0.827 2.141) 2.345 17.565 ( 11.187 -19.377 -13.454) 26.108 18.011 ( -4.209 7.290 -2.060) 8.666 18.135 ( -5.603 9.704 2.149) 11.409 18.444 ( 1.750 -3.031 12.218) 12.710 19.827 ( 4.066 -7.043 -5.671) 9.914======================= Grid point 256 (48/81) =======================q-point: (-0.42 0.58 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.589 ( 4.494 7.784 4.173) 9.909 2.847 ( 7.085 12.272 9.927) 17.302 2.903 ( 4.488 7.774 1.432) 9.090 3.325 ( 8.048 13.939 13.091) 20.747 3.437 ( 2.688 4.655 -4.388) 6.939 3.483 ( -0.247 -0.428 -6.287) 6.307 3.693 ( -5.434 -9.412 -12.088) 16.255 4.053 ( -3.763 -6.518 -3.366) 8.245 4.242 ( -2.837 -4.913 5.393) 7.828 4.299 ( -1.601 -2.773 4.166) 5.255 5.064 ( -8.499 -14.721 -15.478) 22.989 5.171 ( -7.167 -12.414 10.523) 17.782 5.275 ( -0.896 -1.551 -4.627) 4.962 5.879 ( 1.117 1.935 -5.880) 6.290 6.257 ( -0.933 -1.616 4.433) 4.809 6.294 ( -4.290 -7.431 1.438) 8.700 6.976 ( 4.236 7.338 10.110) 13.191 7.055 ( 1.179 2.041 -7.059) 7.442 7.226 ( 7.404 12.824 -7.095) 16.420 7.597 ( 3.725 6.451 6.715) 10.029 7.753 ( 1.570 2.719 3.068) 4.389 7.852 ( -0.056 -0.096 -2.583) 2.586 8.140 ( -1.038 -1.798 1.477) 2.548 8.159 ( -4.250 -7.362 -10.925) 13.842 8.917 ( 0.816 1.414 0.919) 1.873 9.014 ( -1.469 -2.545 -0.123) 2.941 9.168 ( 1.469 2.545 1.328) 3.225 9.220 ( 3.375 5.845 -0.475) 6.766 9.379 ( 2.659 4.606 3.535) 6.386 9.494 ( 0.519 0.899 -0.394) 1.111 9.968 ( -4.165 -7.214 1.040) 8.395 9.978 ( -2.765 -4.788 5.172) 7.571 10.800 ( 3.377 5.849 -0.367) 6.764 11.142 ( 3.059 5.298 0.275) 6.124 11.283 ( -1.047 -1.814 1.608) 2.641 11.477 ( -2.115 -3.663 -3.644) 5.583 11.838 ( -1.510 -2.615 -1.217) 3.256 12.093 ( 6.017 10.422 2.372) 12.265 12.388 ( 0.294 0.509 -5.773) 5.803 12.748 ( -4.462 -7.728 -4.924) 10.192 12.832 ( -0.605 -1.047 2.341) 2.635 12.980 ( -2.622 -4.541 10.191) 11.461 13.401 ( -4.878 -8.449 -1.520) 9.873 13.512 ( -3.738 -6.474 0.086) 7.476 13.813 ( 1.581 2.739 -4.752) 5.708 14.688 ( 6.578 11.394 5.452) 14.242 16.742 ( -0.291 -0.504 3.894) 3.937 16.804 ( -3.427 -5.936 -5.064) 8.522 17.278 ( -0.624 -1.082 0.417) 1.317 17.278 ( -1.690 -2.928 -6.588) 7.404 17.986 ( 4.679 8.104 -1.882) 9.545 18.091 ( 5.366 9.295 0.654) 10.752 18.557 ( -3.490 -6.045 9.967) 12.168 19.784 ( -2.275 -3.941 -6.011) 7.540======================= Grid point 258 (49/81) =======================q-point: (-0.33 0.58 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.698 ( -1.980 11.083 2.513) 11.536 2.988 ( 6.149 -5.049 -0.304) 7.962 3.065 ( 1.934 7.819 -2.782) 8.522 3.388 ( -3.820 -4.864 -5.873) 8.529 3.481 ( -8.844 18.286 -0.066) 20.312 3.669 ( 6.120 16.006 8.802) 19.265 3.687 ( 7.791 4.129 -8.417) 12.190 3.943 ( -10.148 0.900 -8.598) 13.332 4.139 ( -3.150 -2.570 5.649) 6.960 4.281 ( 12.021 -7.598 13.743) 19.777 4.647 ( -13.748 -30.106 16.865) 37.145 4.845 ( 4.551 -20.526 -12.942) 24.688 5.552 ( 9.188 17.231 -5.650) 20.328 5.832 ( -14.850 6.032 -5.649) 16.995 6.161 ( -0.171 -2.486 0.640) 2.573 6.230 ( 4.078 -12.020 1.058) 12.737 7.037 ( -2.403 4.754 -3.255) 6.243 7.133 ( 4.755 -0.633 0.072) 4.797 7.437 ( 2.865 10.001 -9.802) 14.294 7.670 ( -1.041 2.239 -2.640) 3.614 7.800 ( 0.347 5.650 7.638) 9.507 7.866 ( -0.646 1.169 4.673) 4.861 8.033 ( -0.725 -7.571 -8.706) 11.560 8.103 ( -0.409 -2.233 4.761) 5.275 8.953 ( 0.801 1.792 1.471) 2.453 8.999 ( 0.532 -0.667 0.309) 0.908 9.198 ( -2.087 5.079 2.126) 5.889 9.301 ( 0.601 2.347 -0.093) 2.425 9.446 ( 2.731 0.405 0.401) 2.790 9.526 ( 3.358 -2.368 0.677) 4.164 9.850 ( -1.801 -3.695 4.340) 5.977 9.879 ( -1.681 -6.148 4.695) 7.916 10.933 ( 3.861 5.332 -0.642) 6.614 11.174 ( -5.216 4.744 -0.023) 7.051 11.284 ( 3.001 -1.513 -2.522) 4.202 11.419 ( 1.216 -5.767 -4.652) 7.508 11.798 ( -0.415 -1.473 0.008) 1.530 12.309 ( 3.694 13.138 2.089) 13.807 12.407 ( -0.272 3.924 -0.749) 4.004 12.627 ( 0.156 -7.753 -3.082) 8.344 12.715 ( -10.181 -2.832 4.254) 11.392 12.893 ( 2.569 -8.464 3.630) 9.561 13.343 ( 1.852 -0.833 -2.046) 2.883 13.406 ( -2.823 -3.898 0.150) 4.815 13.847 ( 0.348 1.105 -4.288) 4.442 14.837 ( -0.501 8.786 3.864) 9.611 16.697 ( -2.142 -1.931 0.209) 2.892 16.742 ( 1.156 -3.339 1.142) 3.714 17.232 ( -0.844 -0.023 -0.717) 1.108 17.291 ( 4.688 -7.219 -5.889) 10.429 18.121 ( 0.614 8.294 -0.761) 8.351 18.250 ( 2.792 8.487 1.013) 8.992 18.429 ( -4.212 -5.573 5.905) 9.147 19.721 ( 0.713 -5.259 -4.438) 6.918======================= Grid point 271 (50/81) =======================q-point: (-0.33 -0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 81Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.870 ( -3.672 -6.360 1.032) 7.416 2.870 ( 3.672 6.360 1.032) 7.416 3.227 ( -4.492 -7.780 -7.904) 11.966 3.227 ( 4.492 7.780 -7.904) 11.966 3.618 ( 0.000 0.000 -6.905) 6.905 3.946 ( -4.833 -8.372 -12.047) 15.446 3.946 ( 4.833 8.372 -12.047) 15.446 4.060 ( -10.239 -17.734 22.344) 30.308 4.060 ( 10.239 17.734 22.344) 30.308 4.062 ( -0.000 -0.000 6.572) 6.572 4.227 ( 0.000 0.000 13.486) 13.486 4.589 ( -0.000 -0.000 -12.465) 12.465 5.852 ( 0.000 0.000 2.070) 2.070 5.925 ( -3.507 -6.074 -3.837) 7.995 5.925 ( 3.507 6.074 -3.837) 7.995 6.160 ( 0.000 0.000 -6.318) 6.318 7.104 ( -1.080 -1.871 -2.694) 3.453 7.104 ( 1.080 1.871 -2.694) 3.453 7.608 ( -3.546 -6.142 -9.504) 11.858 7.608 ( 3.546 6.142 -9.504) 11.858 7.889 ( -0.322 -0.557 8.914) 8.937 7.889 ( 0.322 0.557 8.914) 8.937 7.949 ( 0.000 0.000 -7.621) 7.621 8.068 ( 0.000 0.000 9.862) 9.862 8.976 ( 0.000 0.000 1.369) 1.369 8.999 ( 0.000 0.000 0.527) 0.527 9.283 ( -1.710 -2.961 0.797) 3.511 9.283 ( 1.710 2.961 0.797) 3.511 9.475 ( -1.334 -2.310 -0.507) 2.715 9.475 ( 1.334 2.310 -0.507) 2.715 9.812 ( -0.026 -0.045 6.410) 6.410 9.812 ( 0.026 0.045 6.410) 6.410 10.994 ( 0.000 0.000 1.052) 1.052 11.259 ( -0.000 -0.000 -2.369) 2.369 11.296 ( -2.950 -5.110 -5.060) 7.773 11.296 ( 2.950 5.110 -5.060) 7.773 11.785 ( 0.000 0.000 1.187) 1.187 12.481 ( -2.683 -4.647 1.309) 5.523 12.481 ( 2.683 4.647 1.309) 5.523 12.529 ( -0.000 -0.000 1.590) 1.590 12.712 ( -2.538 -4.396 1.051) 5.184 12.712 ( 2.538 4.396 1.051) 5.184 13.356 ( -0.850 -1.473 -0.696) 1.838 13.356 ( 0.850 1.473 -0.696) 1.838 13.857 ( 0.000 0.000 -4.079) 4.079 14.925 ( 0.000 0.000 2.305) 2.305 16.688 ( -0.674 -1.168 1.237) 1.830 16.688 ( 0.674 1.168 1.237) 1.830 17.231 ( -0.047 -0.081 -2.672) 2.674 17.231 ( 0.047 0.081 -2.672) 2.674 18.235 ( -0.000 -0.000 2.680) 2.680 18.340 ( -0.577 -0.999 0.562) 1.283 18.340 ( 0.577 0.999 0.562) 1.283 19.665 ( 0.000 0.000 -3.501) 3.501======================= Grid point 314 (51/81) =======================q-point: ( 0.00 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 81Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.655 ( 0.000 -0.000 35.992) 35.992 1.655 ( 0.000 0.000 35.992) 35.992 2.336 ( 0.000 0.000 -28.902) 28.902 2.336 ( 0.000 -0.000 -28.902) 28.902 2.358 ( 0.000 -0.000 48.844) 48.844 3.225 ( 0.000 0.000 -33.567) 33.567 4.086 ( 0.000 -0.000 13.687) 13.687 4.086 ( 0.000 0.000 13.687) 13.687 4.386 ( -0.000 -0.000 -14.890) 14.890 4.386 ( 0.000 -0.000 -14.890) 14.890 4.944 ( -0.000 0.000 21.351) 21.351 5.508 ( -0.000 0.000 -32.487) 32.487 5.675 ( -0.000 0.000 3.849) 3.849 5.675 ( 0.000 0.000 3.849) 3.849 5.736 ( 0.000 0.000 -1.846) 1.846 5.736 ( 0.000 0.000 -1.846) 1.846 7.475 ( -0.000 0.000 11.052) 11.052 7.475 ( 0.000 -0.000 11.052) 11.052 7.703 ( 0.000 0.000 -10.150) 10.150 7.703 ( 0.000 0.000 -10.150) 10.150 7.711 ( -0.000 -0.000 10.665) 10.665 7.913 ( 0.000 0.000 -8.631) 8.631 8.039 ( 0.000 0.000 3.682) 3.682 8.117 ( 0.000 -0.000 -3.434) 3.434 9.319 ( 0.000 -0.000 30.528) 30.528 9.375 ( 0.000 0.000 3.863) 3.863 9.375 ( 0.000 0.000 3.863) 3.863 9.456 ( 0.000 0.000 -3.665) 3.665 9.456 ( 0.000 -0.000 -3.665) 3.665 9.923 ( 0.000 0.000 -26.905) 26.905 11.157 ( 0.000 0.000 1.438) 1.438 11.157 ( 0.000 -0.000 1.438) 1.438 11.190 ( -0.000 -0.000 -1.596) 1.596 11.190 ( 0.000 -0.000 -1.596) 1.596 11.351 ( 0.000 0.000 8.668) 8.668 11.501 ( 0.000 0.000 -5.726) 5.726 11.991 ( 0.000 0.000 0.308) 0.308 11.997 ( 0.000 0.000 -0.254) 0.254 12.321 ( 0.000 0.000 2.293) 2.293 12.321 ( 0.000 -0.000 2.293) 2.293 12.370 ( 0.000 0.000 -2.249) 2.249 12.370 ( 0.000 -0.000 -2.249) 2.249 12.935 ( 0.000 0.000 2.542) 2.542 12.935 ( -0.000 0.000 2.542) 2.542 12.989 ( 0.000 0.000 -2.464) 2.464 12.989 ( 0.000 0.000 -2.464) 2.464 16.642 ( 0.000 0.000 5.483) 5.483 16.760 ( 0.000 0.000 -5.446) 5.446 17.257 ( 0.000 0.000 2.797) 2.797 17.257 ( 0.000 -0.000 2.797) 2.797 17.316 ( -0.000 -0.000 -2.755) 2.755 17.316 ( 0.000 0.000 -2.755) 2.755 20.968 ( 0.000 0.000 2.276) 2.276 21.015 ( -0.000 -0.000 -2.101) 2.101======================= Grid point 315 (52/81) =======================q-point: ( 0.08 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.463 ( 0.988 -3.922 33.139) 33.385 1.880 ( -2.601 22.316 36.841) 43.151 2.137 ( -6.601 -1.436 -30.166) 30.913 2.574 ( 12.892 -2.753 -28.795) 31.669 2.658 ( 28.881 2.624 36.196) 46.381 3.301 ( 4.528 8.598 -24.489) 26.347 3.993 ( -8.337 -3.015 12.758) 15.536 4.071 ( -1.725 -1.153 11.301) 11.490 4.271 ( -9.572 -3.409 -12.777) 16.325 4.367 ( 0.059 -5.415 -15.433) 16.356 4.841 ( -5.191 1.192 22.596) 23.215 5.316 ( -4.795 -7.523 -19.765) 21.685 5.703 ( 3.234 -0.067 3.101) 4.481 5.752 ( 1.685 3.086 -0.702) 3.585 5.933 ( 14.434 9.104 0.111) 17.066 6.010 ( 14.345 7.481 -8.513) 18.281 7.280 ( -8.867 -8.434 9.947) 15.771 7.507 ( -10.436 -3.530 -5.422) 12.279 7.559 ( -6.025 4.991 5.414) 9.514 7.746 ( 4.239 -3.556 3.593) 6.597 7.772 ( 2.209 -5.867 -2.052) 6.596 7.953 ( 3.105 7.013 -8.447) 11.409 8.060 ( 2.403 1.168 4.267) 5.034 8.160 ( 3.697 3.911 -5.041) 7.375 9.094 ( -13.972 -6.134 16.555) 22.515 9.264 ( -12.430 -7.667 -0.336) 14.608 9.377 ( -0.246 -1.090 3.686) 3.852 9.444 ( 0.207 -1.838 -3.342) 3.820 9.544 ( 3.567 0.863 3.054) 4.774 9.717 ( -12.323 -3.753 -10.115) 16.379 10.771 ( -15.923 -9.696 6.259) 19.666 10.875 ( -17.075 -8.342 -3.492) 19.322 11.138 ( -0.855 -2.540 1.500) 3.072 11.172 ( -2.361 0.297 -1.599) 2.867 11.634 ( 9.589 1.271 0.797) 9.706 11.663 ( 5.383 6.848 -1.751) 8.884 11.884 ( -6.389 -4.511 1.074) 7.895 11.897 ( -5.453 -2.286 0.097) 5.914 12.304 ( 0.422 -7.137 0.163) 7.152 12.332 ( -3.637 2.840 -2.037) 5.044 12.536 ( 6.866 13.529 4.599) 15.853 12.667 ( 20.126 -3.711 -8.184) 22.041 13.048 ( 10.227 3.122 0.052) 10.694 13.080 ( 11.615 17.595 -4.066) 21.472 13.107 ( 12.224 5.993 1.742) 13.725 13.137 ( 9.995 7.739 -1.010) 12.682 16.645 ( 0.742 -0.052 4.449) 4.511 16.743 ( -1.441 0.042 -4.618) 4.837 17.293 ( 4.746 0.218 2.569) 5.401 17.345 ( 2.068 4.771 -1.076) 5.310 17.364 ( 6.636 4.509 1.234) 8.117 17.422 ( 9.136 2.434 -2.903) 9.890 20.761 ( -17.970 -9.653 1.719) 20.471 20.781 ( -18.065 -11.506 0.402) 21.422======================= Grid point 316 (53/81) =======================q-point: ( 0.17 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 362Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.672 ( 16.316 14.394 15.389) 26.650 2.050 ( -4.273 26.290 30.536) 40.520 2.116 ( 4.028 2.146 -22.796) 23.249 2.691 ( 10.925 -12.583 -27.667) 32.298 3.178 ( 28.985 -2.319 20.644) 35.660 3.513 ( 3.718 16.718 -9.672) 19.669 3.824 ( -6.162 -2.160 6.941) 9.529 3.976 ( -8.752 -1.870 0.062) 8.950 4.075 ( -5.993 -5.335 -1.582) 8.178 4.295 ( -1.510 -6.659 -14.872) 16.364 4.896 ( 7.834 5.670 23.022) 24.970 5.287 ( 5.424 -1.111 -10.844) 12.175 5.775 ( 2.984 3.900 2.864) 5.684 5.826 ( 5.115 0.221 -1.419) 5.312 6.161 ( -2.769 -2.871 0.433) 4.012 6.194 ( 6.924 2.737 -2.521) 7.861 7.097 ( -3.095 -1.824 0.821) 3.685 7.222 ( -14.664 -4.635 -9.143) 17.892 7.469 ( -10.801 7.139 9.216) 15.892 7.645 ( 0.519 -14.157 -7.489) 16.024 7.841 ( 3.528 -2.170 13.537) 14.156 8.083 ( 2.314 6.691 -7.496) 10.311 8.141 ( 4.551 2.836 4.295) 6.870 8.278 ( 2.757 4.937 -8.462) 10.177 8.828 ( -11.436 -5.487 6.473) 14.240 8.896 ( -12.974 -9.714 0.046) 16.208 9.354 ( -1.215 -0.615 3.344) 3.611 9.422 ( -0.574 -2.216 -3.075) 3.833 9.559 ( -0.766 -1.700 2.081) 2.795 9.601 ( -3.258 0.351 -1.656) 3.671 10.474 ( -12.167 -6.742 2.498) 14.132 10.541 ( -13.827 -6.680 -3.404) 15.728 11.081 ( -2.159 -3.725 1.689) 4.625 11.118 ( -3.909 -0.402 -1.752) 4.302 11.733 ( 0.798 -1.338 1.861) 2.427 11.757 ( 0.242 -0.397 1.662) 1.726 11.772 ( 0.059 2.088 -1.142) 2.380 11.796 ( -3.679 -1.528 -0.938) 4.092 12.252 ( 0.535 -4.249 0.952) 4.387 12.300 ( -1.969 1.554 -3.075) 3.968 12.729 ( 1.774 12.647 5.733) 13.999 12.862 ( 13.775 -7.643 -7.053) 17.260 13.256 ( 11.466 0.461 3.309) 11.942 13.306 ( 6.393 7.542 -0.933) 9.931 13.445 ( 19.758 3.341 3.529) 20.347 13.571 ( 10.246 23.938 -9.383) 27.678 16.674 ( 2.550 0.132 2.500) 3.574 16.733 ( -0.469 2.006 -3.050) 3.681 17.401 ( 5.163 3.749 2.747) 6.946 17.440 ( 4.473 3.059 0.229) 5.423 17.511 ( 5.842 1.488 3.563) 7.003 17.615 ( 8.994 3.349 -5.051) 10.845 20.254 ( -27.052 -13.019 3.666) 30.244 20.325 ( -18.704 -13.945 -2.835) 23.502======================= Grid point 317 (54/81) =======================q-point: ( 0.25 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.140 ( 11.518 18.293 13.020) 25.235 2.296 ( 9.236 21.279 -1.361) 23.237 2.297 ( 13.366 8.991 1.667) 16.195 2.726 ( 7.476 -11.596 -20.979) 25.109 3.475 ( 9.194 -2.904 6.821) 11.810 3.643 ( -4.703 7.239 -6.837) 11.012 3.789 ( 2.870 -0.472 4.546) 5.396 3.856 ( -4.510 0.860 2.040) 5.024 3.994 ( 3.529 -0.788 1.854) 4.063 4.214 ( 0.293 -5.526 -15.619) 16.571 5.143 ( 10.535 2.217 22.384) 24.839 5.409 ( 8.970 -0.534 2.798) 9.412 5.865 ( 2.466 0.649 4.723) 5.368 5.894 ( -7.774 0.778 0.786) 7.852 5.931 ( -0.517 -7.324 0.032) 7.342 6.151 ( -8.922 -2.009 -12.744) 15.686 7.062 ( 0.294 0.477 0.840) 1.010 7.151 ( -1.342 7.808 -6.179) 10.047 7.384 ( -4.293 4.312 5.937) 8.501 7.533 ( 1.518 -10.420 -7.290) 12.807 7.784 ( -6.907 -2.840 15.337) 17.058 8.095 ( -7.064 -0.546 -11.366) 13.394 8.220 ( -1.539 -1.281 3.365) 3.916 8.277 ( -0.584 -0.002 -3.603) 3.650 8.687 ( 2.515 0.836 3.513) 4.401 8.772 ( 0.781 -0.601 -3.639) 3.770 9.331 ( -0.714 -0.868 2.807) 3.024 9.389 ( -1.005 -1.805 -2.514) 3.254 9.485 ( -4.155 -6.270 1.704) 7.713 9.527 ( -6.645 0.194 -2.113) 6.976 10.233 ( -9.198 -4.398 2.438) 10.483 10.296 ( -8.737 -4.451 -3.175) 10.306 11.006 ( -1.850 -4.380 1.511) 4.989 11.038 ( -4.928 -0.439 -1.597) 5.199 11.669 ( -2.797 -2.305 2.912) 4.649 11.698 ( -4.094 -0.874 0.767) 4.256 11.811 ( 1.651 1.304 0.099) 2.106 11.826 ( 2.518 0.735 -1.395) 2.971 12.247 ( 1.593 -0.612 1.078) 2.018 12.308 ( 1.472 1.190 -3.942) 4.373 12.867 ( 2.249 9.753 6.111) 11.727 13.007 ( 9.819 -3.341 -7.021) 12.524 13.421 ( 7.946 -0.160 3.427) 8.655 13.466 ( 4.729 6.276 -0.955) 7.916 13.762 ( 17.173 -2.393 4.279) 17.859 13.866 ( 1.644 18.368 -5.230) 19.169 16.720 ( 2.019 0.860 2.059) 3.009 16.771 ( 2.017 2.736 -2.760) 4.378 17.455 ( -2.961 -0.119 10.116) 10.541 17.554 ( 6.341 2.358 1.063) 6.849 17.612 ( 6.478 0.384 0.022) 6.490 17.734 ( 1.658 0.856 -10.324) 10.491 19.694 ( -24.722 -9.370 11.645) 28.889 19.943 ( -11.869 -11.604 -11.728) 20.324======================= Grid point 318 (55/81) =======================q-point: ( 0.33 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 362Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.356 ( 1.921 12.283 18.674) 22.433 2.593 ( 16.919 -0.176 8.671) 19.013 2.723 ( 4.031 -5.430 -15.433) 16.850 2.810 ( 15.729 22.190 -10.238) 29.063 3.518 ( -3.173 3.923 1.987) 5.423 3.630 ( 0.465 2.990 -4.847) 5.714 3.706 ( -5.412 -1.045 2.707) 6.141 3.885 ( 2.646 -0.854 -3.662) 4.598 4.151 ( 11.797 0.389 0.575) 11.818 4.251 ( 7.092 0.429 -10.965) 13.066 5.009 ( -13.465 -14.299 25.131) 31.896 5.473 ( -14.680 -5.676 -18.001) 23.911 5.755 ( 12.883 -2.816 15.228) 20.144 5.906 ( 0.614 2.025 -0.089) 2.117 5.998 ( 5.239 3.295 2.109) 6.538 6.161 ( 5.365 7.951 -10.028) 13.877 7.068 ( 0.668 -8.341 2.645) 8.776 7.107 ( -9.982 5.320 -0.043) 11.311 7.420 ( 3.958 2.734 4.442) 6.548 7.504 ( -6.092 1.231 1.552) 6.406 7.646 ( -2.480 -1.113 4.733) 5.458 7.884 ( -7.191 -5.793 -11.945) 15.098 8.129 ( -3.887 -3.768 5.211) 7.514 8.277 ( -2.670 -0.244 -7.004) 7.500 8.822 ( 6.784 5.417 1.071) 8.747 8.863 ( 7.296 2.066 -2.691) 8.046 9.284 ( -5.585 -4.303 2.182) 7.380 9.305 ( -4.431 -7.822 1.156) 9.064 9.367 ( -0.804 -3.343 -1.050) 3.596 9.395 ( -8.111 3.217 -2.494) 9.075 10.107 ( -2.188 -2.355 3.007) 4.401 10.170 ( -3.746 -0.599 -2.793) 4.711 10.944 ( -0.141 -5.602 0.719) 5.650 10.955 ( -4.991 1.843 -0.485) 5.342 11.582 ( -4.199 -3.463 4.083) 6.804 11.637 ( -3.580 0.892 -0.319) 3.703 11.848 ( 1.110 1.460 0.364) 1.870 11.861 ( 1.909 -1.019 -0.775) 2.298 12.285 ( 1.567 2.267 0.632) 2.827 12.366 ( 4.296 0.231 -5.961) 7.351 12.994 ( 3.489 6.492 6.750) 9.994 13.119 ( 5.235 0.107 -4.549) 6.936 13.520 ( 5.099 -1.423 2.628) 5.910 13.580 ( 2.227 5.187 -2.735) 6.273 13.971 ( 7.994 1.942 3.134) 8.803 14.014 ( 3.367 5.574 -0.306) 6.519 16.754 ( 1.247 0.263 3.297) 3.535 16.832 ( 1.398 2.856 -4.032) 5.135 17.355 ( -4.057 -4.880 10.974) 12.676 17.623 ( -4.749 -2.641 -12.941) 14.035 17.703 ( 3.361 0.137 0.006) 3.363 17.731 ( 2.871 2.845 -1.921) 4.475 19.310 ( -14.109 -1.866 20.008) 24.553 19.703 ( -5.602 -8.736 -17.117) 20.018======================= Grid point 319 (56/81) =======================q-point: ( 0.42 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.476 ( 2.507 4.937 11.179) 12.475 2.632 ( -0.869 -4.767 1.445) 5.056 2.959 ( 18.520 0.809 8.589) 20.431 3.118 ( 4.201 6.341 -2.042) 7.876 3.471 ( -4.288 -6.192 1.984) 7.789 3.612 ( -4.741 15.884 15.827) 22.919 3.739 ( -5.532 8.801 -19.786) 22.351 3.969 ( 13.364 -3.135 -14.499) 19.967 4.325 ( 5.774 1.166 0.406) 5.905 4.389 ( 7.332 -1.431 -7.495) 10.582 4.674 ( -8.503 -9.690 21.468) 25.041 5.127 ( -15.060 -3.447 -20.642) 25.783 5.873 ( 7.263 -8.790 4.553) 12.278 5.950 ( -3.184 8.344 -2.541) 9.285 6.185 ( 12.709 -1.351 8.511) 15.356 6.324 ( 2.621 7.689 -4.949) 9.512 6.925 ( -2.642 -12.064 6.111) 13.779 7.003 ( -6.240 2.829 -1.111) 6.940 7.352 ( -11.654 5.913 7.433) 15.034 7.451 ( -2.359 -3.501 -3.126) 5.253 7.673 ( 7.294 0.976 7.892) 10.790 7.874 ( 2.258 2.490 -9.097) 9.699 8.029 ( -2.159 -4.327 2.616) 5.498 8.195 ( -5.833 -0.347 -10.175) 11.733 8.955 ( 1.739 4.178 0.754) 4.588 8.980 ( 4.361 -0.793 -1.409) 4.651 9.120 ( -3.685 -5.059 2.559) 6.762 9.169 ( -4.646 -3.338 -1.865) 6.017 9.319 ( -1.670 0.693 2.632) 3.193 9.377 ( 0.184 0.744 -3.013) 3.109 10.089 ( 1.838 -2.289 2.923) 4.142 10.138 ( -1.546 1.812 -1.780) 2.973 10.880 ( -3.768 1.060 3.041) 4.957 10.930 ( 1.307 -2.429 -1.754) 3.268 11.479 ( -3.792 -2.851 5.969) 7.624 11.587 ( -3.317 1.006 -3.156) 4.688 11.871 ( 1.443 -1.472 0.594) 2.145 11.879 ( 0.322 1.261 -0.252) 1.325 12.330 ( 0.019 3.736 0.529) 3.773 12.439 ( 4.980 -2.254 -8.431) 10.048 13.103 ( 3.301 3.789 6.474) 8.196 13.178 ( 0.775 1.456 -0.215) 1.664 13.570 ( 3.860 -3.408 1.097) 5.265 13.642 ( -0.579 5.069 -4.930) 7.094 14.056 ( -7.418 16.762 5.391) 19.106 14.118 ( 13.702 -14.966 -0.171) 20.292 16.760 ( 1.014 -2.629 3.749) 4.690 16.860 ( -1.869 3.984 -5.640) 7.154 17.273 ( 0.528 -5.204 5.799) 7.809 17.435 ( -9.921 -2.176 -9.914) 14.193 17.773 ( 1.918 2.491 1.092) 3.328 17.799 ( 2.598 0.238 -1.235) 2.887 19.162 ( -5.686 2.813 21.110) 22.042 19.575 ( -1.251 -6.369 -17.825) 18.970======================= Grid point 320 (57/81) =======================q-point: (-0.50 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 199Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.526 ( -0.048 0.083 6.071) 6.072 2.592 ( 1.418 -2.456 3.194) 4.271 3.156 ( -1.741 3.016 10.530) 11.091 3.213 ( 6.674 -11.560 21.287) 25.126 3.324 ( 0.250 -0.432 -7.366) 7.383 3.674 ( -6.918 11.982 16.436) 21.484 3.708 ( -4.265 7.387 -20.273) 21.994 4.134 ( 0.966 -1.673 -23.169) 23.250 4.344 ( 2.123 -3.678 2.128) 4.750 4.414 ( 0.853 -1.477 -5.645) 5.897 4.588 ( 2.034 -3.524 14.828) 15.376 4.986 ( -2.278 3.946 -21.021) 21.509 5.887 ( 4.959 -8.589 3.802) 10.621 5.960 ( -4.079 7.066 -2.984) 8.687 6.291 ( 3.890 -6.738 5.870) 9.746 6.375 ( -2.225 3.854 -2.605) 5.157 6.836 ( 4.880 -8.452 9.313) 13.490 6.965 ( -2.269 3.930 -2.839) 5.353 7.280 ( -6.256 10.836 7.932) 14.814 7.402 ( 1.931 -3.345 -4.843) 6.194 7.797 ( 1.817 -3.147 9.908) 10.553 7.852 ( -1.433 2.482 0.582) 2.924 8.022 ( 2.617 -4.533 -5.655) 7.706 8.122 ( -2.782 4.819 -12.119) 13.336 8.963 ( -1.743 3.019 1.306) 3.723 8.996 ( 1.767 -3.060 -1.609) 3.883 9.085 ( 2.064 -3.576 1.906) 4.548 9.124 ( -1.667 2.887 -1.767) 3.774 9.313 ( 0.229 -0.397 3.728) 3.756 9.386 ( -0.169 0.293 -3.568) 3.584 10.098 ( 1.792 -3.105 2.704) 4.490 10.136 ( -1.267 2.194 -1.122) 2.771 10.852 ( -2.256 3.908 4.904) 6.664 10.933 ( 1.897 -3.286 -2.802) 4.717 11.428 ( 0.375 -0.649 6.714) 6.756 11.561 ( -1.303 2.257 -4.599) 5.286 11.875 ( 1.418 -2.456 0.876) 2.968 11.889 ( -1.023 1.771 -0.354) 2.076 12.349 ( -1.948 3.375 0.648) 3.950 12.472 ( 2.773 -4.803 -9.520) 11.018 13.165 ( 1.296 -2.245 5.122) 5.741 13.176 ( -2.784 4.822 2.958) 6.305 13.586 ( 2.795 -4.841 0.252) 5.596 13.661 ( -2.662 4.611 -5.925) 7.966 14.073 ( -9.304 16.115 7.052) 19.899 14.162 ( 10.489 -18.168 -0.980) 21.002 16.752 ( 2.186 -3.786 3.336) 5.499 16.860 ( -2.918 5.054 -7.183) 9.255 17.259 ( 3.300 -5.716 2.662) 7.117 17.331 ( -2.674 4.631 -4.015) 6.687 17.803 ( -1.461 2.530 0.416) 2.951 17.821 ( 1.209 -2.094 -1.138) 2.672 19.134 ( -2.493 4.318 20.183) 20.790 19.534 ( 2.427 -4.203 -17.422) 18.085======================= Grid point 328 (58/81) =======================q-point: ( 0.08 0.08 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.601 ( 10.414 18.037 16.878) 26.807 2.127 ( 1.014 1.756 -25.221) 25.303 2.354 ( 12.264 21.242 28.585) 37.666 2.501 ( -1.967 -3.407 -35.458) 35.676 2.783 ( 6.980 12.089 28.725) 31.937 3.562 ( 9.264 16.046 -10.201) 21.151 3.877 ( -4.088 -7.081 7.297) 10.959 4.040 ( -1.594 -2.760 12.432) 12.834 4.135 ( -7.209 -12.486 -15.323) 21.039 4.237 ( -2.637 -4.567 -10.064) 11.362 4.880 ( 1.962 3.399 22.151) 22.496 5.223 ( 0.068 0.117 -11.291) 11.291 5.750 ( 3.074 5.325 0.066) 6.149 5.795 ( 0.871 1.508 1.769) 2.483 6.131 ( 5.106 8.844 0.143) 10.213 6.174 ( 2.230 3.862 -2.448) 5.087 7.109 ( -3.125 -5.413 2.446) 6.712 7.352 ( -6.488 -11.238 -10.375) 16.614 7.541 ( -7.118 -12.328 -6.259) 15.551 7.702 ( 2.864 4.960 11.291) 12.661 7.705 ( -1.188 -2.058 8.382) 8.712 8.091 ( 3.870 6.703 -6.838) 10.328 8.114 ( 2.442 4.230 4.605) 6.713 8.282 ( 3.895 6.747 -9.790) 12.512 8.913 ( -5.952 -10.309 9.855) 15.453 8.970 ( -11.532 -19.974 -1.890) 23.142 9.351 ( -1.260 -2.182 3.160) 4.042 9.387 ( -1.917 -3.320 -1.318) 4.054 9.565 ( 0.536 0.929 0.617) 1.238 9.657 ( -0.942 -1.631 -1.475) 2.392 10.548 ( -6.709 -11.620 2.092) 13.579 10.636 ( -8.249 -14.288 -3.593) 16.885 11.078 ( -2.233 -3.867 1.079) 4.594 11.162 ( -0.780 -1.352 -0.809) 1.758 11.678 ( 1.837 3.182 0.696) 3.740 11.775 ( -2.951 -5.112 1.890) 6.198 11.802 ( 3.008 5.209 -1.007) 6.099 11.828 ( -2.575 -4.460 -0.405) 5.166 12.209 ( -1.546 -2.678 0.972) 3.242 12.375 ( -0.085 -0.147 -0.652) 0.673 12.635 ( 1.880 3.256 -6.493) 7.503 12.790 ( 6.066 10.507 9.408) 15.353 13.141 ( 4.247 7.357 -1.076) 8.563 13.265 ( 6.215 10.765 0.212) 12.432 13.301 ( 5.681 9.839 -0.280) 11.365 13.615 ( 15.495 26.838 -11.949) 33.214 16.652 ( 0.575 0.995 2.499) 2.751 16.750 ( 0.532 0.922 -3.599) 3.753 17.357 ( 3.500 6.062 1.597) 7.180 17.442 ( 2.839 4.918 -0.854) 5.743 17.471 ( 2.521 4.367 5.839) 7.715 17.533 ( 5.076 8.792 -3.805) 10.842 20.422 ( -13.015 -22.543 -0.834) 26.043 20.425 ( -13.558 -23.483 2.924) 27.273======================= Grid point 329 (59/81) =======================q-point: ( 0.17 0.08 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.045 ( 15.768 19.389 -3.180) 25.193 2.241 ( 5.043 13.412 -12.475) 18.999 2.489 ( 7.302 -7.028 -29.250) 30.956 2.612 ( -6.983 29.693 20.714) 36.871 3.129 ( 24.345 -1.710 13.606) 27.941 3.780 ( -1.820 -0.404 4.024) 4.435 3.828 ( -3.682 8.136 -11.768) 14.773 3.884 ( -1.530 -4.103 -5.037) 6.674 3.960 ( -3.220 -4.462 14.288) 15.311 4.160 ( 0.102 -6.991 -12.435) 14.266 5.006 ( 8.150 5.543 23.112) 25.126 5.290 ( 4.359 0.387 2.914) 5.258 5.833 ( 2.134 1.441 5.192) 5.795 5.849 ( 1.717 -0.381 1.060) 2.053 6.072 ( -8.507 -1.810 0.693) 8.725 6.206 ( -1.239 -3.186 -4.876) 5.955 7.101 ( -7.284 -7.455 -7.628) 12.915 7.172 ( 4.914 7.889 -10.844) 14.282 7.372 ( -0.218 -9.061 -2.409) 9.378 7.600 ( -7.927 2.778 7.249) 11.095 7.793 ( 2.028 -2.007 10.591) 10.969 8.173 ( -1.029 2.964 -2.732) 4.160 8.206 ( 3.069 2.551 2.347) 4.630 8.320 ( -5.241 -4.280 -14.289) 15.810 8.671 ( -2.399 -4.547 3.591) 6.271 8.772 ( -2.167 -3.079 1.860) 4.200 9.290 ( -1.159 -5.781 1.658) 6.124 9.316 ( -0.440 -7.128 -0.499) 7.159 9.569 ( -2.590 2.569 0.714) 3.717 9.636 ( -2.651 2.005 0.460) 3.356 10.331 ( -8.521 -7.708 0.136) 11.491 10.368 ( -8.202 -10.487 -3.084) 13.666 10.992 ( -2.599 -4.917 1.102) 5.670 11.122 ( -3.247 0.286 -0.266) 3.271 11.690 ( -2.721 -2.966 2.081) 4.531 11.733 ( -1.447 -1.623 1.525) 2.656 11.759 ( 2.284 0.086 -1.407) 2.684 11.862 ( -0.610 3.619 -0.827) 3.763 12.191 ( 1.078 -1.068 0.747) 1.691 12.353 ( -1.670 1.868 -0.419) 2.540 12.782 ( 11.404 0.489 -7.212) 13.502 12.930 ( 1.389 7.472 7.616) 10.759 13.292 ( 6.775 3.110 2.090) 7.743 13.473 ( 5.949 8.326 -0.645) 10.253 13.488 ( 9.572 2.693 -0.900) 9.984 14.019 ( 5.935 19.687 -7.301) 21.820 16.687 ( 2.223 1.388 0.402) 2.651 16.778 ( 0.783 2.329 -2.206) 3.302 17.483 ( -1.465 -1.563 9.615) 9.851 17.505 ( 5.222 6.094 0.854) 8.071 17.549 ( 3.700 4.971 0.323) 6.205 17.693 ( 4.944 4.178 -5.977) 8.810 19.931 ( -18.800 -19.005 8.645) 28.096 20.005 ( -12.185 -17.598 -8.842) 23.159======================= Grid point 330 (60/81) =======================q-point: ( 0.25 0.08 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.381 ( 11.473 8.090 -6.432) 15.442 2.478 ( 2.526 12.511 10.264) 16.379 2.589 ( 6.989 -0.324 -16.521) 17.941 2.866 ( 5.225 27.433 -3.233) 28.113 3.467 ( 14.147 3.315 -2.972) 14.831 3.637 ( -4.997 -7.338 -6.570) 11.045 3.788 ( -1.023 0.801 5.681) 5.827 3.863 ( 1.069 -0.468 4.800) 4.940 3.960 ( 0.377 -2.554 -4.483) 5.173 4.202 ( 6.348 5.271 -3.400) 8.924 5.077 ( -8.310 -9.307 24.769) 27.734 5.357 ( 13.218 -4.911 12.657) 18.949 5.719 ( -7.869 -7.588 -0.683) 10.953 5.915 ( 2.975 4.607 4.508) 7.099 5.969 ( -5.250 -3.006 -4.722) 7.674 6.194 ( 3.158 8.560 -9.891) 13.457 6.963 ( 0.036 -10.415 -3.034) 10.848 7.289 ( -4.565 4.261 -2.447) 6.707 7.362 ( 3.758 1.104 1.473) 4.185 7.576 ( 1.254 8.651 -3.714) 9.498 7.712 ( -6.323 -5.841 7.169) 11.203 8.012 ( -13.297 -6.156 -8.877) 17.132 8.142 ( -3.210 -4.599 4.345) 7.094 8.280 ( 1.331 -1.237 -5.260) 5.565 8.774 ( 6.702 7.288 0.008) 9.901 8.795 ( 4.043 3.714 -0.294) 5.498 9.205 ( -0.688 -8.204 0.750) 8.267 9.245 ( 0.700 -8.648 1.401) 8.788 9.513 ( -8.007 4.751 0.462) 9.322 9.582 ( -7.101 2.895 -0.041) 7.668 10.127 ( -5.732 -6.823 0.724) 8.940 10.199 ( -3.235 -5.398 -2.587) 6.804 10.910 ( -1.615 -4.161 0.944) 4.562 11.065 ( -4.714 2.000 0.273) 5.128 11.606 ( -3.542 -3.708 1.741) 5.416 11.677 ( -1.562 -2.480 -0.100) 2.932 11.829 ( 2.549 2.621 0.239) 3.664 11.872 ( -1.075 2.348 -0.173) 2.589 12.218 ( 3.163 -0.416 -0.990) 3.340 12.372 ( 0.842 2.635 -0.348) 2.788 12.970 ( 8.316 0.693 -4.939) 9.697 13.013 ( 3.351 4.667 3.615) 6.788 13.410 ( 5.766 -0.607 4.202) 7.161 13.618 ( 3.237 5.471 -1.891) 6.632 13.651 ( 10.607 -3.808 -2.289) 11.500 14.218 ( -1.019 14.963 0.357) 15.002 16.738 ( 1.539 1.077 0.674) 1.995 16.820 ( 2.084 1.800 -2.810) 3.934 17.370 ( -4.968 -7.303 12.981) 15.701 17.622 ( 1.415 -0.447 -9.289) 9.407 17.664 ( 3.535 6.613 0.988) 7.563 17.769 ( 0.970 4.986 -3.292) 6.053 19.501 ( -14.581 -9.818 17.310) 24.671 19.698 ( -6.868 -13.180 -16.490) 22.200======================= Grid point 331 (61/81) =======================q-point: ( 0.33 0.08 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.539 ( -0.755 6.649 12.129) 13.853 2.629 ( 1.563 5.019 4.796) 7.116 2.726 ( 11.042 4.807 -6.289) 13.586 3.129 ( 2.727 9.554 -3.444) 10.515 3.489 ( -3.646 -6.483 -0.972) 7.501 3.691 ( 10.799 -6.969 -18.230) 22.305 3.803 ( -2.030 8.561 10.941) 14.040 3.901 ( -0.850 14.110 -16.753) 21.920 4.090 ( 15.594 -1.251 2.793) 15.891 4.360 ( 4.016 6.099 2.349) 7.671 4.743 ( -11.962 -12.330 21.999) 27.912 5.354 ( -15.602 -5.673 -16.863) 23.664 5.583 ( 12.166 -11.496 11.482) 20.298 5.936 ( 5.475 -8.405 -0.336) 10.037 6.059 ( 4.486 9.686 6.594) 12.547 6.349 ( 3.444 7.462 -5.508) 9.893 6.852 ( -2.057 -9.905 2.199) 10.353 7.164 ( -9.247 0.164 3.748) 9.979 7.438 ( -0.711 -0.997 -6.069) 6.191 7.559 ( 0.212 -4.659 2.343) 5.219 7.666 ( -6.609 10.428 5.729) 13.611 7.862 ( 0.253 3.056 -10.594) 11.028 8.032 ( -3.648 -5.520 3.787) 7.624 8.255 ( -1.995 -1.661 -8.249) 8.648 8.923 ( 3.878 3.235 -1.402) 5.241 8.942 ( 5.440 6.461 2.044) 8.690 9.132 ( 0.393 -6.436 1.052) 6.533 9.148 ( -3.777 -4.302 2.099) 6.097 9.436 ( -5.990 4.337 -0.545) 7.415 9.467 ( -8.584 3.169 -0.950) 9.200 10.029 ( 0.451 -5.263 2.125) 5.694 10.141 ( 0.473 -2.995 -1.295) 3.297 10.871 ( 0.385 -1.460 0.055) 1.511 11.008 ( -5.028 3.250 1.167) 6.100 11.504 ( -3.791 -4.342 2.871) 6.439 11.625 ( -1.695 -2.737 -2.930) 4.353 11.864 ( -0.674 1.529 -0.333) 1.704 11.902 ( 0.584 4.429 1.912) 4.860 12.285 ( 5.025 -0.614 -3.116) 5.944 12.409 ( 0.364 2.006 -0.996) 2.269 13.048 ( 3.762 -1.155 3.328) 5.154 13.149 ( 5.447 3.376 -2.829) 7.005 13.476 ( 4.124 -2.583 4.011) 6.307 13.682 ( 3.760 -3.662 -2.020) 5.624 13.774 ( 7.790 -2.816 -4.918) 9.633 14.300 ( -4.196 12.213 6.535) 14.473 16.737 ( -0.983 -1.941 2.194) 3.090 16.884 ( 2.918 2.007 -4.974) 6.106 17.222 ( -3.069 -7.756 8.602) 11.982 17.528 ( -5.894 -6.027 -11.084) 13.926 17.775 ( 1.796 6.887 -0.266) 7.123 17.857 ( -0.431 9.481 0.555) 9.507 19.269 ( -6.821 -2.410 21.303) 22.498 19.513 ( -1.737 -10.820 -18.882) 21.832======================= Grid point 332 (62/81) =======================q-point: ( 0.42 0.08 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.575 ( -1.705 6.061 8.875) 10.882 2.620 ( -4.391 3.294 7.300) 9.134 2.974 ( 11.908 -0.110 7.995) 14.343 3.202 ( 0.397 3.253 4.593) 5.642 3.354 ( -4.994 -4.735 -5.741) 8.962 3.695 ( 4.086 -11.146 -15.120) 19.223 3.883 ( -1.699 9.544 12.407) 15.745 4.095 ( 4.449 12.217 -18.053) 22.247 4.267 ( 4.090 -2.518 0.210) 4.808 4.409 ( -0.671 -1.712 2.533) 3.130 4.575 ( -1.631 1.251 8.494) 8.739 5.098 ( -8.722 1.040 -20.618) 22.411 5.661 ( 9.035 -10.891 7.628) 16.076 5.932 ( 6.650 -12.581 -0.836) 14.255 6.202 ( 2.236 5.707 6.296) 8.787 6.402 ( -0.153 -1.576 -1.351) 2.082 6.729 ( -0.924 -6.649 9.015) 11.240 7.056 ( -4.663 2.832 1.075) 5.561 7.378 ( -0.116 -3.201 -9.921) 10.425 7.523 ( -7.969 9.320 1.692) 12.379 7.720 ( 3.899 2.249 9.831) 10.812 7.916 ( -2.080 1.399 -2.247) 3.366 7.944 ( 0.750 -2.376 -2.570) 3.580 8.209 ( -2.910 1.945 -9.959) 10.556 8.960 ( 1.114 -0.498 -0.885) 1.507 9.020 ( -2.491 -4.179 1.632) 5.131 9.057 ( -0.623 6.022 1.151) 6.163 9.150 ( 0.823 1.478 0.570) 1.785 9.370 ( -4.456 4.057 1.316) 6.168 9.419 ( -2.423 2.426 -1.712) 3.832 10.014 ( 2.917 -5.047 2.469) 6.330 10.134 ( 1.416 -2.507 0.443) 2.913 10.891 ( 1.494 1.401 -2.095) 2.930 10.960 ( -4.772 3.867 3.038) 6.852 11.415 ( -1.471 -3.389 4.445) 5.780 11.580 ( -0.557 -1.877 -5.847) 6.166 11.864 ( -0.737 1.267 -0.151) 1.473 11.943 ( -1.491 5.017 2.412) 5.763 12.358 ( 4.654 -1.912 -5.211) 7.244 12.413 ( -1.376 0.639 -0.793) 1.712 13.088 ( 3.825 -4.163 3.882) 6.858 13.234 ( 0.817 3.096 -0.452) 3.233 13.504 ( 2.606 -3.039 1.600) 4.311 13.689 ( 5.216 -9.422 -0.744) 10.795 13.848 ( 4.496 -3.572 -7.136) 9.159 14.328 ( -5.546 10.799 9.795) 15.599 16.694 ( 0.097 -3.640 1.909) 4.112 16.936 ( 0.074 2.850 -6.414) 7.019 17.136 ( 1.661 -7.288 3.539) 8.271 17.398 ( -3.463 -1.928 -4.294) 5.844 17.849 ( -1.329 6.986 -1.383) 7.245 17.909 ( -3.790 8.789 0.401) 9.580 19.193 ( -2.058 0.411 20.696) 20.802 19.426 ( 2.666 -9.107 -18.353) 20.661======================= Grid point 341 (63/81) =======================q-point: ( 0.17 0.17 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 199Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.348 ( 8.569 14.842 -14.164) 22.234 2.440 ( 1.796 3.111 -22.428) 22.714 2.571 ( 7.428 12.865 6.959) 16.405 3.108 ( 8.113 14.051 11.712) 20.011 3.210 ( 10.521 18.223 -7.471) 22.329 3.640 ( -7.207 -12.483 -4.604) 15.132 3.763 ( -0.676 -1.171 -1.488) 2.010 3.870 ( -0.683 -1.182 11.185) 11.268 4.013 ( -3.506 -6.073 -14.626) 16.220 4.144 ( 7.307 12.657 6.744) 16.096 5.115 ( 3.018 5.228 20.332) 21.209 5.191 ( -7.372 -12.769 21.081) 25.725 5.742 ( -2.707 -4.688 -3.137) 6.257 5.902 ( 3.265 5.656 10.208) 12.118 6.038 ( -7.430 -12.868 -7.516) 16.652 6.202 ( 5.694 9.862 -7.952) 13.889 6.903 ( -5.355 -9.275 -7.190) 12.899 7.334 ( 1.880 3.256 1.229) 3.956 7.344 ( 2.518 4.361 -6.071) 7.888 7.618 ( 2.125 3.681 0.873) 4.339 7.733 ( -4.123 -7.141 3.292) 8.879 8.097 ( -6.675 -11.561 -1.517) 13.435 8.187 ( -2.214 -3.835 -10.067) 10.998 8.227 ( -0.046 -0.079 2.173) 2.175 8.751 ( 5.237 9.071 -1.003) 10.523 8.780 ( 2.425 4.200 2.309) 5.371 9.171 ( -3.429 -5.940 0.291) 6.865 9.191 ( -2.815 -4.877 1.076) 5.733 9.616 ( 0.699 1.211 1.140) 1.804 9.656 ( -0.117 -0.203 2.558) 2.568 10.150 ( -6.145 -10.643 -2.135) 12.474 10.192 ( -4.224 -7.317 -1.730) 8.624 10.907 ( -2.081 -3.605 1.091) 4.303 11.120 ( -0.346 -0.599 0.803) 1.060 11.630 ( -2.162 -3.745 0.554) 4.360 11.661 ( -2.373 -4.110 0.126) 4.748 11.822 ( 2.776 4.808 0.847) 5.616 11.898 ( 0.390 0.675 -1.634) 1.811 12.206 ( 1.092 1.891 0.660) 2.281 12.358 ( -0.054 -0.093 1.884) 1.887 12.887 ( 5.056 8.758 -7.579) 12.638 13.019 ( 1.260 2.182 4.742) 5.370 13.344 ( 0.925 1.603 2.502) 3.112 13.515 ( 0.827 1.432 -2.306) 2.838 13.649 ( 4.781 8.282 -2.540) 9.894 14.302 ( 5.757 9.972 0.128) 11.516 16.728 ( 1.529 2.649 -1.439) 3.380 16.811 ( 0.464 0.804 -1.025) 1.383 17.378 ( -4.513 -7.817 13.561) 16.290 17.608 ( 0.928 1.607 -9.919) 10.091 17.671 ( 4.024 6.971 0.840) 8.093 17.783 ( 3.823 6.622 -1.121) 7.729 19.580 ( -9.336 -16.171 16.094) 24.651 19.690 ( -8.450 -14.636 -16.033) 23.296======================= Grid point 342 (64/81) =======================q-point: ( 0.25 0.17 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.552 ( 5.137 8.205 -7.759) 12.406 2.647 ( 7.759 11.188 -12.035) 18.172 2.709 ( 1.498 8.211 11.256) 14.013 3.227 ( -2.873 8.319 1.375) 8.908 3.417 ( -2.473 -13.365 -0.106) 13.593 3.558 ( 4.149 0.146 -15.037) 15.600 3.771 ( 6.347 -3.067 -1.285) 7.165 3.944 ( 5.221 10.040 9.705) 14.908 4.004 ( 4.868 12.260 -18.209) 22.485 4.364 ( 4.655 9.464 10.281) 14.729 4.838 ( -13.991 -13.635 22.256) 29.614 5.231 ( 10.397 -6.700 14.887) 19.354 5.607 ( -13.861 -4.752 -8.824) 17.105 5.792 ( -0.116 -13.665 -5.869) 14.873 6.053 ( 5.514 8.027 11.226) 14.862 6.361 ( 2.645 5.380 -8.358) 10.286 6.805 ( -0.079 -3.085 -1.059) 3.263 7.289 ( -6.351 -2.495 4.168) 7.996 7.418 ( 0.961 -1.542 -5.552) 5.841 7.512 ( -3.924 -9.636 4.619) 11.383 7.783 ( 4.323 11.092 -7.724) 14.191 7.952 ( -4.682 0.001 -1.592) 4.945 8.058 ( -6.239 -4.838 -2.061) 8.160 8.230 ( 1.667 -2.477 -3.482) 4.587 8.904 ( 3.089 4.442 -0.700) 5.456 8.917 ( 5.638 8.227 3.552) 10.587 9.077 ( -1.093 -5.108 0.125) 5.225 9.157 ( 0.815 1.354 0.889) 1.813 9.585 ( -6.123 1.798 0.950) 6.452 9.615 ( -5.182 0.280 2.000) 5.561 9.984 ( -2.486 -7.167 -0.202) 7.589 10.082 ( -0.302 -6.652 -1.317) 6.788 10.867 ( -0.330 -0.017 0.403) 0.521 11.098 ( -2.451 1.210 1.682) 3.209 11.533 ( -4.384 -3.958 -0.811) 5.962 11.596 ( -0.400 -5.358 -1.462) 5.568 11.903 ( -0.597 2.943 -2.071) 3.647 11.928 ( 2.623 5.460 1.988) 6.375 12.243 ( 0.746 2.575 -0.523) 2.732 12.380 ( 3.163 -1.284 3.058) 4.583 13.010 ( -0.703 1.044 -1.119) 1.684 13.080 ( 6.741 3.910 -3.421) 8.511 13.355 ( 3.442 -6.128 4.882) 8.558 13.527 ( 1.599 -3.937 -2.763) 5.069 13.790 ( 2.683 7.953 -5.809) 10.207 14.427 ( 0.257 7.053 7.266) 10.129 16.756 ( -2.022 0.545 0.044) 2.095 16.824 ( 3.234 -1.712 -2.248) 4.295 17.221 ( -4.532 -6.941 9.582) 12.670 17.545 ( -3.854 -6.185 -12.015) 14.052 17.813 ( 3.672 8.937 0.181) 9.664 17.942 ( 3.208 11.116 1.341) 11.647 19.336 ( -6.370 -7.174 20.691) 22.807 19.447 ( -4.787 -12.734 -19.560) 23.826======================= Grid point 343 (65/81) =======================q-point: ( 0.33 0.17 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 362Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.666 ( -0.947 7.171 10.049) 12.381 2.790 ( -5.746 10.770 -0.231) 12.209 2.835 ( 7.082 5.124 1.850) 8.935 3.231 ( -0.068 2.453 2.982) 3.861 3.366 ( 1.763 -3.603 -3.404) 5.261 3.468 ( 2.291 -12.886 -17.148) 21.572 3.834 ( 6.915 -4.687 -0.861) 8.398 4.153 ( 7.349 6.869 10.157) 14.295 4.254 ( -2.959 8.784 -11.749) 14.965 4.424 ( -0.385 1.708 10.978) 11.117 4.632 ( -2.105 5.243 3.342) 6.564 5.267 ( -7.669 -4.243 -12.318) 15.118 5.404 ( 8.184 -4.188 8.859) 12.767 5.701 ( 2.632 -13.440 -2.969) 14.014 6.208 ( 4.603 5.089 7.990) 10.533 6.371 ( -0.943 -5.305 -3.884) 6.642 6.752 ( -5.952 -1.801 6.006) 8.645 7.147 ( -4.260 -3.164 -0.755) 5.360 7.294 ( 1.011 -8.307 -5.513) 10.021 7.581 ( 4.749 3.461 2.115) 6.245 7.825 ( -8.461 3.119 0.813) 9.054 7.946 ( 0.421 5.260 -7.101) 8.847 7.965 ( -1.356 0.717 4.041) 4.322 8.243 ( 0.527 0.988 -6.818) 6.909 8.939 ( 0.640 0.122 1.034) 1.222 9.025 ( -1.297 -2.532 0.254) 2.856 9.093 ( 4.577 7.764 3.183) 9.558 9.196 ( -1.981 5.677 -0.360) 6.023 9.491 ( -5.400 1.038 0.661) 5.539 9.512 ( -6.186 1.217 0.093) 6.305 9.926 ( 1.424 -4.651 1.901) 5.223 10.049 ( 3.018 -6.132 1.327) 6.962 10.897 ( 1.244 4.059 -1.889) 4.647 11.065 ( -3.456 2.398 2.738) 5.019 11.422 ( -3.791 -4.046 0.198) 5.548 11.544 ( 0.533 -5.197 -5.350) 7.478 11.915 ( -1.710 3.792 -3.022) 5.141 12.021 ( 0.151 7.719 4.844) 9.115 12.283 ( 2.178 0.402 -2.415) 3.277 12.414 ( 1.844 -1.290 2.147) 3.110 12.987 ( 1.544 -4.822 1.546) 5.294 13.213 ( 4.528 1.673 -2.948) 5.656 13.352 ( 7.234 -12.112 4.370) 14.769 13.493 ( 0.127 -5.321 -1.783) 5.614 13.889 ( 0.188 7.162 -9.341) 11.773 14.469 ( -2.058 5.727 11.492) 13.004 16.687 ( -3.161 -2.858 0.947) 4.366 16.869 ( 4.742 -4.609 -1.545) 6.791 17.120 ( -2.684 -1.171 2.095) 3.601 17.419 ( -3.438 -5.126 -6.351) 8.856 17.953 ( 0.901 11.281 -1.034) 11.364 18.065 ( -2.053 11.284 0.805) 11.498 19.217 ( -2.484 -2.981 20.606) 20.968 19.288 ( 0.426 -12.474 -19.388) 23.058======================= Grid point 344 (66/81) =======================q-point: ( 0.42 0.17 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.707 ( -3.415 5.915 15.252) 16.711 2.739 ( -5.198 9.004 7.438) 12.784 2.966 ( -0.141 0.244 -3.053) 3.066 3.263 ( -1.862 3.225 4.575) 5.899 3.290 ( 1.588 -2.750 -12.330) 12.732 3.479 ( 5.389 -9.334 -10.448) 15.010 3.893 ( 4.262 -7.382 2.891) 9.001 4.179 ( 1.675 -2.902 2.659) 4.278 4.306 ( 2.690 -4.658 1.979) 5.732 4.381 ( -6.267 10.855 15.245) 19.736 4.694 ( -3.857 6.681 -16.956) 18.629 5.169 ( -2.500 4.330 -14.931) 15.746 5.526 ( 1.306 -2.263 10.561) 10.879 5.629 ( 7.928 -13.731 -5.183) 16.681 6.280 ( -0.422 0.732 4.759) 4.834 6.307 ( 4.041 -7.000 0.150) 8.084 6.655 ( 0.471 -0.815 10.019) 10.063 7.113 ( 0.524 -0.907 -2.784) 2.975 7.273 ( 2.406 -4.168 -5.347) 7.194 7.669 ( -1.951 3.379 -4.205) 5.736 7.725 ( 0.225 -0.390 4.856) 4.877 7.968 ( -2.794 4.838 5.829) 8.074 7.977 ( -2.752 4.766 -4.250) 6.954 8.253 ( -1.139 1.973 -7.075) 7.433 8.960 ( 0.392 -0.680 1.718) 1.889 8.982 ( -0.682 1.182 -0.911) 1.641 9.179 ( -3.488 6.041 1.522) 7.140 9.197 ( -1.762 3.052 -0.113) 3.526 9.456 ( -0.740 1.282 0.361) 1.523 9.460 ( -2.504 4.336 0.933) 5.093 9.918 ( 2.366 -4.098 2.397) 5.304 10.046 ( 3.464 -5.999 2.887) 7.505 10.945 ( -2.116 3.666 -4.927) 6.496 11.040 ( -2.298 3.981 4.474) 6.414 11.361 ( 1.114 -1.929 1.734) 2.823 11.522 ( 2.313 -4.006 -7.682) 8.967 11.919 ( -2.492 4.316 -3.004) 5.819 12.063 ( -4.080 7.067 5.988) 10.121 12.308 ( 1.368 -2.370 -3.362) 4.335 12.419 ( 0.379 -0.657 1.051) 1.296 12.978 ( 3.767 -6.525 3.357) 8.249 13.252 ( 2.980 -5.161 -0.246) 5.965 13.367 ( 7.364 -12.755 -0.360) 14.733 13.456 ( 1.276 -2.210 0.678) 2.641 13.926 ( -3.130 5.421 -10.942) 12.606 14.479 ( -2.991 5.180 12.781) 14.112 16.640 ( 0.872 -1.511 1.031) 2.026 16.885 ( 4.327 -7.495 -0.327) 8.661 17.098 ( -1.674 2.900 -2.093) 3.949 17.361 ( 1.094 -1.895 -2.883) 3.619 18.029 ( -6.050 10.479 -1.644) 12.211 18.093 ( -5.518 9.557 0.345) 11.041 19.184 ( 0.666 -1.154 20.144) 20.188 19.230 ( 6.264 -10.849 -18.912) 22.685======================= Grid point 351 (67/81) =======================q-point: (-0.08 0.17 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.565 ( -4.672 8.092 25.218) 26.893 1.731 ( -0.904 1.566 36.110) 36.155 2.105 ( -2.159 3.740 -26.796) 27.142 2.866 ( -8.057 13.956 -19.300) 25.143 3.201 ( -15.960 27.643 22.765) 39.206 3.297 ( -0.447 0.773 -19.620) 19.640 3.849 ( 4.443 -7.696 10.681) 13.895 3.988 ( 4.046 -7.008 2.144) 8.371 4.130 ( 4.414 -7.646 -6.175) 10.774 4.370 ( 1.115 -1.931 -16.115) 16.268 4.829 ( -3.741 6.480 22.949) 24.138 5.310 ( -0.509 0.882 -15.906) 15.938 5.733 ( -1.638 2.837 2.551) 4.152 5.819 ( -2.750 4.764 -0.435) 5.518 6.166 ( -6.649 11.516 -1.551) 13.388 6.175 ( -2.940 5.091 -5.112) 7.791 7.146 ( 5.770 -9.993 7.200) 13.601 7.284 ( 9.309 -16.123 -11.120) 21.685 7.364 ( 4.346 -7.528 10.162) 13.373 7.852 ( -0.808 1.400 8.898) 9.043 7.896 ( -2.867 4.966 -1.331) 5.887 7.919 ( -0.569 0.985 -11.797) 11.852 8.114 ( -2.205 3.820 5.485) 7.038 8.220 ( -2.575 4.460 -5.348) 7.424 8.879 ( 6.234 -10.798 6.988) 14.293 9.009 ( 9.635 -16.689 1.366) 19.319 9.358 ( 1.448 -2.508 1.941) 3.486 9.410 ( 2.485 -4.305 -2.101) 5.396 9.595 ( 0.668 -1.156 -1.634) 2.110 9.609 ( -1.555 2.693 2.206) 3.813 10.553 ( 7.173 -12.424 3.599) 14.791 10.603 ( 8.562 -14.830 -2.811) 17.353 11.108 ( 2.230 -3.862 -1.712) 4.777 11.141 ( 0.475 -0.822 1.079) 1.437 11.697 ( -1.171 2.028 -0.874) 2.500 11.770 ( -2.711 4.695 1.671) 5.673 11.801 ( 2.530 -4.382 1.417) 5.255 11.810 ( 2.438 -4.223 -0.848) 4.950 12.264 ( 1.328 -2.300 -3.562) 4.443 12.363 ( 0.076 -0.132 0.400) 0.428 12.543 ( -2.253 3.902 2.560) 5.182 13.038 ( -5.613 9.723 -14.312) 18.190 13.127 ( -5.356 9.276 0.082) 10.712 13.266 ( -6.846 11.857 -0.489) 13.700 13.276 ( -5.112 8.854 1.825) 10.385 13.425 ( -13.273 22.990 6.549) 27.342 16.675 ( -1.423 2.464 3.324) 4.375 16.711 ( 0.798 -1.383 -3.106) 3.493 17.362 ( -1.902 3.295 1.749) 4.188 17.415 ( -3.686 6.384 1.657) 7.555 17.487 ( -4.538 7.859 0.035) 9.075 17.580 ( -5.034 8.720 -4.470) 11.016 20.387 ( 15.187 -26.305 2.225) 30.455 20.473 ( 11.209 -19.415 -1.160) 22.448======================= Grid point 355 (68/81) =======================q-point: ( 0.25 0.25 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.730 ( 5.586 9.675 -5.854) 12.612 2.767 ( 2.263 3.920 4.063) 6.082 2.994 ( 9.544 16.530 -1.019) 19.114 3.126 ( -6.430 -11.137 6.188) 14.271 3.343 ( 1.832 3.173 0.435) 3.690 3.436 ( -5.611 -9.719 -13.417) 17.492 3.712 ( -1.295 -2.243 -2.367) 3.509 4.114 ( 3.846 6.662 8.055) 11.138 4.376 ( -6.438 -11.150 18.329) 22.399 4.385 ( 11.056 19.150 -26.757) 34.712 4.724 ( 2.208 3.824 16.900) 17.467 5.156 ( -0.420 -0.727 5.853) 5.913 5.459 ( -5.988 -10.372 -3.054) 12.360 5.594 ( -1.188 -2.057 -9.238) 9.539 6.183 ( 2.750 4.762 10.755) 12.079 6.351 ( -3.376 -5.847 -6.972) 9.705 6.820 ( 0.797 1.380 3.656) 3.988 7.116 ( -10.526 -18.232 -5.025) 21.643 7.273 ( 0.747 1.293 0.790) 1.690 7.548 ( 2.477 4.290 3.224) 5.910 7.923 ( -4.966 -8.601 -4.546) 10.923 7.960 ( 3.956 6.853 -3.651) 8.714 7.996 ( 2.308 3.998 1.281) 4.791 8.234 ( 1.332 2.307 -4.263) 5.027 8.941 ( 0.577 0.999 1.682) 2.039 9.008 ( -0.713 -1.235 0.739) 1.606 9.101 ( 5.310 9.197 3.462) 11.170 9.247 ( 2.865 4.962 -1.401) 5.899 9.553 ( -2.818 -4.881 -0.231) 5.641 9.581 ( -2.280 -3.950 2.624) 5.262 9.890 ( -1.257 -2.178 1.453) 2.904 9.975 ( -2.014 -3.488 1.045) 4.161 10.911 ( 2.517 4.359 -1.299) 5.198 11.107 ( -0.159 -0.276 2.880) 2.897 11.452 ( -2.566 -4.444 -6.056) 7.938 11.492 ( -2.865 -4.963 -1.191) 5.853 11.957 ( 1.769 3.063 -5.477) 6.520 12.060 ( 4.199 7.273 4.897) 9.722 12.298 ( 1.359 2.354 0.637) 2.792 12.352 ( -0.449 -0.777 5.034) 5.113 12.963 ( -2.828 -4.898 -1.538) 5.861 13.135 ( -2.118 -3.669 -2.060) 4.710 13.247 ( 0.301 0.521 2.744) 2.809 13.473 ( -1.354 -2.345 -1.464) 3.078 13.925 ( 3.343 5.790 -9.508) 11.623 14.513 ( 1.442 2.498 12.079) 12.419 16.730 ( -2.529 -4.380 -0.804) 5.121 16.771 ( -1.162 -2.013 1.423) 2.725 17.142 ( -0.591 -1.024 2.343) 2.625 17.422 ( -3.480 -6.028 -7.518) 10.245 18.004 ( 6.017 10.421 -0.771) 12.058 18.147 ( 5.296 9.173 1.354) 10.678 19.214 ( -6.451 -11.173 -20.551) 24.265 19.224 ( -2.629 -4.554 20.811) 21.465======================= Grid point 356 (69/81) =======================q-point: ( 0.33 0.25 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.800 ( -2.206 5.780 7.876) 10.016 2.884 ( -0.837 -0.105 6.498) 6.552 2.979 ( 0.930 7.341 -8.060) 10.942 3.238 ( -3.389 -9.486 -13.040) 16.477 3.312 ( 5.418 8.676 2.246) 10.472 3.409 ( -0.584 6.010 2.803) 6.657 3.706 ( 6.307 -7.929 -0.258) 10.135 4.083 ( -2.690 -13.177 12.356) 18.263 4.253 ( 1.474 0.919 4.512) 4.835 4.586 ( -3.355 9.216 -1.950) 10.000 4.773 ( -1.420 4.013 -4.600) 6.267 5.081 ( 3.564 -15.577 -5.432) 16.878 5.527 ( 5.227 16.687 -0.538) 17.495 5.625 ( -1.725 8.077 -5.799) 10.092 6.180 ( -2.953 -13.434 -1.545) 13.841 6.225 ( 2.571 -4.877 2.421) 6.022 6.721 ( -9.373 -1.325 6.848) 11.684 6.923 ( 6.621 -14.135 -0.688) 15.624 7.335 ( -0.933 8.279 -2.294) 8.641 7.622 ( 4.145 -0.415 -1.397) 4.394 7.759 ( -4.819 -5.773 -0.664) 7.549 8.060 ( 0.117 6.453 1.199) 6.565 8.072 ( -0.612 6.222 0.307) 6.260 8.271 ( 0.532 0.978 -3.411) 3.588 8.964 ( 0.268 2.134 1.290) 2.508 9.003 ( -0.184 0.311 0.376) 0.522 9.242 ( 1.424 6.469 1.517) 6.795 9.287 ( -2.403 3.073 -0.571) 3.943 9.462 ( -1.710 -3.124 -0.198) 3.567 9.503 ( -1.299 -2.575 0.994) 3.051 9.877 ( 0.233 -0.237 3.611) 3.626 9.944 ( 1.737 -3.790 3.965) 5.753 11.010 ( 1.276 6.939 -3.807) 8.017 11.096 ( -1.188 0.828 3.548) 3.832 11.356 ( -3.597 -2.490 -3.318) 5.491 11.431 ( 2.091 -6.309 -7.059) 9.696 12.010 ( -1.146 5.663 -6.931) 9.023 12.183 ( 0.620 8.350 7.619) 11.320 12.294 ( -2.315 0.541 2.136) 3.196 12.377 ( 3.313 -2.051 3.427) 5.189 12.873 ( 0.116 -6.194 0.136) 6.197 13.012 ( 2.730 -14.779 1.353) 15.090 13.316 ( 1.921 3.307 -1.615) 4.152 13.429 ( -0.780 -2.648 -0.542) 2.814 14.004 ( -0.011 4.434 -12.185) 12.967 14.540 ( -0.512 2.052 14.051) 14.210 16.644 ( -2.721 -1.224 0.853) 3.103 16.745 ( 2.840 -6.515 1.738) 7.317 17.158 ( -0.405 3.835 -2.045) 4.365 17.328 ( -1.117 -4.479 -3.591) 5.848 18.187 ( 1.731 11.966 -1.091) 12.140 18.258 ( -2.744 7.947 0.710) 8.437 19.044 ( 0.768 -11.979 -20.515) 23.768 19.161 ( -0.558 -2.610 19.844) 20.023======================= Grid point 362 (70/81) =======================q-point: (-0.17 0.25 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.846 ( -18.711 10.810 9.940) 23.786 1.884 ( -13.050 1.133 25.103) 28.316 2.294 ( -8.407 15.782 -12.781) 21.979 2.996 ( 8.940 14.047 -13.431) 21.392 3.371 ( -11.362 -8.452 -7.284) 15.925 3.581 ( -3.238 10.905 9.064) 14.545 3.791 ( -2.810 4.133 3.310) 5.994 3.848 ( 3.740 -6.418 -0.194) 7.431 3.992 ( 2.908 -6.223 -0.466) 6.884 4.329 ( 3.166 3.146 -17.687) 18.241 5.074 ( -11.275 13.811 20.233) 26.967 5.376 ( -4.825 3.188 -8.862) 10.582 5.798 ( -2.230 1.952 4.845) 5.679 5.923 ( -3.005 4.741 -0.992) 5.700 6.104 ( 10.652 -5.036 1.737) 11.910 6.211 ( 7.206 -6.545 -8.078) 12.650 6.991 ( -0.479 -8.832 2.772) 9.269 7.061 ( 0.758 -3.789 -1.609) 4.186 7.300 ( -1.793 -1.856 3.573) 4.407 7.772 ( 8.850 1.418 -0.708) 8.991 7.844 ( 7.521 -1.190 7.125) 10.428 8.024 ( -5.705 -5.150 -7.981) 11.080 8.205 ( -3.206 3.881 2.968) 5.844 8.279 ( -0.206 -0.396 -2.897) 2.931 8.719 ( 4.253 -2.473 0.794) 4.984 8.783 ( 2.180 -3.738 0.418) 4.347 9.294 ( 1.394 -4.998 0.988) 5.282 9.329 ( -0.364 -7.807 -1.291) 7.921 9.594 ( 2.557 2.984 -1.290) 4.136 9.630 ( 3.179 3.940 0.890) 5.140 10.305 ( 8.844 -9.663 2.306) 13.301 10.349 ( 6.993 -10.565 -1.513) 12.760 11.024 ( 2.776 -4.366 -1.752) 5.462 11.111 ( 3.161 0.924 0.715) 3.370 11.692 ( 2.131 -2.714 3.024) 4.588 11.719 ( 2.984 -4.049 0.125) 5.031 11.779 ( -2.031 2.022 -1.928) 3.454 11.840 ( -0.810 2.908 1.174) 3.239 12.232 ( 0.714 -0.901 -2.543) 2.791 12.354 ( 1.174 3.374 -0.522) 3.610 12.676 ( -9.480 0.902 2.968) 9.975 13.092 ( 2.416 6.307 -7.303) 9.947 13.334 ( -8.073 2.613 -1.468) 8.611 13.448 ( -7.205 4.664 2.791) 9.025 13.491 ( -10.348 2.286 -3.307) 11.101 13.851 ( -10.198 21.519 7.940) 25.103 16.700 ( -0.855 -0.324 -0.543) 1.064 16.736 ( -2.362 2.691 1.130) 3.754 17.420 ( -1.786 -0.011 6.426) 6.670 17.547 ( -3.842 7.037 0.549) 8.036 17.622 ( -3.271 6.976 1.029) 7.774 17.714 ( -2.854 3.067 -9.525) 10.406 19.829 ( 19.175 -25.368 7.662) 32.709 20.112 ( 12.594 -11.875 -8.248) 19.175======================= Grid point 368 (71/81) =======================q-point: ( 0.33 0.33 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 81Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.865 ( -0.690 -1.195 3.676) 3.926 2.865 ( 0.690 1.195 3.676) 3.926 3.095 ( -2.889 -5.004 -9.003) 10.698 3.095 ( 2.889 5.004 -9.003) 10.698 3.509 ( -1.079 -1.869 8.792) 9.053 3.509 ( 1.079 1.869 8.792) 9.053 3.544 ( 0.000 0.000 -4.372) 4.372 3.902 ( -0.000 -0.000 9.904) 9.904 4.261 ( -0.000 -0.000 4.125) 4.125 4.776 ( -0.000 -0.000 -8.598) 8.598 4.797 ( -0.368 -0.638 -1.164) 1.377 4.797 ( 0.368 0.638 -1.164) 1.377 5.861 ( -1.157 -2.003 -6.694) 7.082 5.861 ( 1.157 2.003 -6.694) 7.082 5.901 ( -0.000 -0.000 4.462) 4.462 6.044 ( -0.000 -0.000 -7.466) 7.466 6.741 ( -2.243 -3.884 6.944) 8.266 6.741 ( 2.243 3.884 6.944) 8.266 7.515 ( -4.580 -7.933 -4.122) 10.045 7.515 ( 4.580 7.933 -4.122) 10.045 7.709 ( -0.000 -0.000 2.696) 2.696 8.138 ( -0.106 -0.184 0.247) 0.326 8.138 ( 0.106 0.184 0.247) 0.326 8.273 ( 0.000 0.000 0.050) 0.050 8.994 ( -0.000 -0.000 0.871) 0.871 9.013 ( -0.000 -0.000 0.554) 0.554 9.310 ( -0.034 -0.060 -0.111) 0.131 9.310 ( 0.034 0.060 -0.111) 0.131 9.442 ( -1.028 -1.780 0.161) 2.062 9.442 ( 1.028 1.780 0.161) 2.062 9.898 ( -0.855 -1.482 5.116) 5.394 9.898 ( 0.855 1.482 5.116) 5.394 11.103 ( -0.000 -0.000 3.691) 3.691 11.104 ( -0.000 -0.000 -3.757) 3.757 11.338 ( -0.744 -1.288 -6.779) 6.940 11.338 ( 0.744 1.288 -6.779) 6.940 12.082 ( -0.000 -0.000 -9.881) 9.881 12.293 ( -0.830 -1.438 5.054) 5.320 12.293 ( 0.830 1.438 5.054) 5.320 12.351 ( -0.000 -0.000 10.050) 10.050 12.821 ( -1.601 -2.773 -0.554) 3.250 12.821 ( 1.601 2.773 -0.554) 3.250 13.377 ( -1.433 -2.483 -1.066) 3.059 13.377 ( 1.433 2.483 -1.066) 3.059 14.049 ( -0.000 -0.000 -13.366) 13.366 14.559 ( -0.000 -0.000 14.734) 14.734 16.654 ( -1.301 -2.253 1.702) 3.109 16.654 ( 1.301 2.253 1.702) 3.109 17.241 ( -2.259 -3.913 -2.680) 5.253 17.241 ( 2.259 3.913 -2.680) 5.253 18.337 ( -0.543 -0.941 0.621) 1.251 18.337 ( 0.543 0.941 0.621) 1.251 18.899 ( -0.000 -0.000 -22.642) 22.642 19.133 ( -0.000 -0.000 19.468) 19.468======================= Grid point 375 (72/81) =======================q-point: (-0.25 0.33 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.130 ( -12.871 4.177 18.991) 23.319 2.350 ( -28.039 8.169 -3.173) 29.376 2.641 ( -10.091 21.050 -0.272) 23.346 2.919 ( 11.262 8.249 -8.478) 16.333 3.426 ( -3.903 -6.212 0.967) 7.400 3.628 ( 1.009 -0.407 -4.204) 4.342 3.725 ( 3.723 -7.968 5.110) 10.171 3.842 ( -2.088 0.159 0.803) 2.243 4.042 ( -8.594 1.945 -1.913) 9.017 4.372 ( 0.897 13.729 -17.078) 21.931 5.241 ( 8.965 1.499 19.470) 21.487 5.504 ( -2.448 -3.292 -12.221) 12.891 5.755 ( 4.132 -4.185 6.822) 9.007 5.835 ( -0.737 -10.216 1.443) 10.344 5.982 ( 3.191 2.010 2.272) 4.403 6.115 ( -4.512 8.061 -8.430) 12.506 6.948 ( -3.845 -9.885 -1.150) 10.669 7.147 ( -3.863 6.939 6.663) 10.367 7.345 ( -2.407 -1.014 4.054) 4.822 7.639 ( 8.374 -7.815 8.854) 14.478 7.659 ( 6.939 4.493 -6.462) 10.492 7.973 ( 4.254 -6.135 -7.356) 10.480 8.185 ( 4.850 -2.552 1.911) 5.804 8.269 ( 0.139 -1.912 -2.365) 3.045 8.752 ( -4.967 5.387 0.653) 7.357 8.834 ( -4.930 5.682 -2.327) 7.874 9.217 ( 0.243 -8.166 -0.310) 8.175 9.275 ( -1.840 -8.016 -1.193) 8.310 9.525 ( 9.585 3.790 -0.156) 10.309 9.576 ( 8.990 5.504 -0.054) 10.541 10.117 ( 3.194 -6.585 2.576) 7.759 10.176 ( 3.375 -6.736 -1.558) 7.694 10.940 ( 2.349 -3.815 -1.888) 4.861 11.060 ( 4.795 2.853 0.816) 5.639 11.615 ( 3.148 -5.448 1.474) 6.462 11.633 ( 2.419 -2.704 2.842) 4.608 11.839 ( -1.050 2.664 -0.206) 2.871 11.878 ( -1.413 2.465 -0.664) 2.917 12.230 ( -1.257 -0.242 -1.941) 2.325 12.396 ( -1.054 4.958 -2.515) 5.659 12.848 ( -9.167 1.508 4.849) 10.479 13.112 ( -1.122 0.613 -3.648) 3.866 13.455 ( -5.056 0.532 -0.598) 5.119 13.591 ( -4.082 4.767 1.939) 6.568 13.636 ( -10.450 -7.899 -1.991) 13.250 14.164 ( -3.845 19.294 4.960) 20.289 16.729 ( -2.360 0.391 1.455) 2.800 16.792 ( -1.772 0.837 -0.485) 2.018 17.395 ( 2.116 -3.487 10.037) 10.834 17.662 ( 0.161 4.128 -4.850) 6.370 17.697 ( 1.055 -1.820 -9.980) 10.199 17.757 ( -2.155 8.314 -1.164) 8.667 19.340 ( 12.072 -18.555 17.230) 28.052 19.842 ( 9.563 -5.863 -14.722) 18.509======================= Grid point 376 (73/81) =======================q-point: (-0.17 0.33 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 199Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.064 ( -8.080 13.996 12.092) 20.184 2.109 ( -10.568 18.304 6.606) 22.143 2.664 ( -11.576 20.050 -3.407) 23.401 3.201 ( -1.728 2.994 1.860) 3.925 3.222 ( 0.479 -0.830 -6.342) 6.414 3.627 ( 1.250 -2.165 -4.064) 4.772 3.710 ( 4.731 -8.194 5.472) 10.930 3.861 ( 3.114 -5.394 -2.123) 6.581 3.954 ( -4.585 7.942 1.392) 9.276 4.459 ( -6.016 10.419 -19.305) 22.747 5.344 ( -5.613 9.722 10.799) 15.577 5.404 ( 0.026 -0.044 -4.188) 4.188 5.760 ( 7.202 -12.473 -4.169) 14.994 5.831 ( 8.203 -14.208 10.085) 19.257 6.014 ( 2.030 -3.515 6.486) 7.651 6.121 ( -4.490 7.776 -10.320) 13.680 6.854 ( 1.450 -2.512 -2.741) 3.991 7.142 ( -5.364 9.291 8.098) 13.441 7.321 ( -0.523 0.906 3.346) 3.506 7.644 ( 4.903 -8.491 8.477) 12.962 7.828 ( 3.844 -6.659 -15.668) 17.453 7.920 ( 1.437 -2.489 3.637) 4.635 8.241 ( 1.026 -1.776 -2.724) 3.409 8.241 ( 1.855 -3.213 1.471) 3.991 8.746 ( -2.958 5.123 -0.378) 5.927 8.812 ( -3.896 6.748 -0.713) 7.824 9.180 ( 3.653 -6.328 -0.677) 7.338 9.209 ( 2.236 -3.872 -0.402) 4.489 9.640 ( -0.412 0.713 -0.641) 1.044 9.688 ( -0.733 1.270 -0.222) 1.483 10.114 ( 5.452 -9.444 0.773) 10.932 10.158 ( 5.034 -8.719 1.022) 10.120 10.945 ( 2.035 -3.524 -2.396) 4.722 11.121 ( 0.024 -0.042 0.768) 0.770 11.621 ( 3.547 -6.144 1.501) 7.252 11.634 ( 1.936 -3.353 2.023) 4.368 11.854 ( -3.149 5.454 -2.004) 6.608 11.863 ( 0.008 -0.014 1.628) 1.628 12.239 ( -0.646 1.119 -1.783) 2.201 12.400 ( -1.422 2.464 -1.938) 3.442 12.774 ( -4.631 8.021 2.923) 9.713 13.103 ( 1.819 -3.151 -3.357) 4.951 13.402 ( -1.954 3.384 -3.085) 4.978 13.451 ( -0.351 0.607 3.514) 3.583 13.631 ( -3.849 6.666 -0.936) 7.754 14.226 ( -9.601 16.630 6.660) 20.325 16.708 ( -0.772 1.337 0.169) 1.553 16.783 ( -0.827 1.433 1.390) 2.161 17.392 ( 1.609 -2.788 9.556) 10.084 17.687 ( -2.926 5.068 -3.754) 6.952 17.699 ( 1.689 -2.925 -13.155) 13.582 17.780 ( -5.263 9.116 0.469) 10.536 19.352 ( 12.860 -22.274 15.714) 30.140 19.895 ( 5.907 -10.231 -13.575) 17.996======================= Grid point 388 (74/81) =======================q-point: (-0.33 0.42 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.372 ( -9.552 6.380 14.739) 18.686 2.778 ( 3.795 4.815 -5.855) 8.477 2.899 ( -17.849 8.947 -6.610) 21.031 2.987 ( -7.188 16.749 5.052) 18.913 3.378 ( 0.016 -9.401 9.618) 13.449 3.574 ( 2.053 -1.201 1.347) 2.734 3.620 ( 1.570 -5.652 -6.413) 8.691 3.945 ( -8.963 0.903 -0.868) 9.050 4.210 ( -8.830 1.662 -2.760) 9.399 4.522 ( 1.097 16.623 -14.771) 22.265 4.919 ( 19.776 -4.012 23.198) 30.746 5.208 ( 13.928 -15.324 -20.580) 29.195 5.762 ( -6.792 -7.644 -4.934) 11.354 5.869 ( -7.971 -11.419 5.623) 15.019 6.123 ( -7.258 11.445 5.514) 14.631 6.282 ( -4.334 8.402 -2.970) 9.909 6.916 ( -0.942 -5.292 -3.666) 6.506 7.162 ( 7.898 4.082 6.454) 10.986 7.279 ( 4.511 -11.404 6.998) 14.120 7.515 ( 1.315 4.426 3.653) 5.888 7.687 ( -1.734 4.438 0.916) 4.852 7.866 ( 2.188 0.581 -6.936) 7.296 8.080 ( 3.725 -3.424 0.451) 5.080 8.206 ( 2.892 -4.387 -5.066) 7.299 8.897 ( -4.257 3.874 0.949) 5.834 8.985 ( -4.192 6.825 -1.807) 8.211 9.144 ( -0.063 -4.783 0.009) 4.783 9.201 ( 2.917 -7.147 -2.619) 8.151 9.403 ( 7.804 5.008 2.572) 9.623 9.463 ( 8.452 4.282 -0.910) 9.518 10.066 ( -2.217 -4.713 0.123) 5.210 10.107 ( -0.252 -2.618 0.536) 2.684 10.872 ( 2.204 -2.689 -0.120) 3.479 11.020 ( 3.915 4.612 0.198) 6.053 11.504 ( 2.835 -5.935 4.519) 7.979 11.568 ( 1.862 -3.753 0.048) 4.190 11.860 ( -0.496 0.119 0.047) 0.513 11.930 ( 0.609 5.711 -0.461) 5.762 12.262 ( -2.476 -0.393 -1.359) 2.852 12.471 ( -1.844 4.773 -6.260) 8.085 12.991 ( -6.792 -0.399 5.659) 8.850 13.145 ( -2.887 -0.805 1.147) 3.209 13.525 ( -4.370 -1.908 -1.526) 5.006 13.667 ( 1.256 5.934 -0.190) 6.069 13.704 ( -11.698 -15.480 1.553) 19.465 14.361 ( 1.164 17.343 0.881) 17.404 16.773 ( -1.709 0.291 1.584) 2.348 16.804 ( -0.796 -1.808 -0.499) 2.038 17.323 ( 2.373 -2.372 6.361) 7.191 17.483 ( 8.428 -10.066 -14.239) 19.368 17.773 ( -0.900 6.562 0.088) 6.624 17.864 ( 0.521 9.614 -0.083) 9.628 19.090 ( 1.534 -11.280 21.102) 23.977 19.673 ( 5.961 -2.652 -16.796) 18.018======================= Grid point 389 (75/81) =======================q-point: (-0.25 0.42 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.331 ( -6.919 14.875 9.825) 19.122 2.551 ( -21.861 12.283 -0.644) 25.084 2.935 ( -2.162 7.332 -9.055) 11.850 3.160 ( 6.240 16.498 5.893) 18.597 3.351 ( -0.913 -2.147 2.672) 3.547 3.538 ( 2.298 -8.484 -7.940) 11.845 3.602 ( -4.640 -0.734 11.665) 12.576 3.792 ( -1.823 -4.403 -1.960) 5.153 4.106 ( -6.414 4.242 -1.085) 7.766 4.685 ( -2.867 16.761 -18.627) 25.221 5.214 ( 18.159 -3.788 17.879) 25.764 5.285 ( 13.436 -16.516 -18.171) 27.992 5.538 ( -6.515 -15.901 0.771) 17.201 5.629 ( -2.505 -10.640 4.009) 11.643 6.122 ( -5.428 8.526 12.565) 16.126 6.284 ( -4.574 7.679 -8.541) 12.363 6.879 ( -2.310 2.783 -7.341) 8.183 7.227 ( 5.537 -9.810 10.670) 15.516 7.299 ( -0.500 5.183 5.545) 7.607 7.565 ( 0.595 0.706 -0.960) 1.332 7.711 ( 1.552 1.639 -4.296) 4.853 7.893 ( 0.262 -0.917 1.199) 1.532 8.124 ( 6.085 -4.526 -3.638) 8.411 8.193 ( 0.670 -4.422 -0.184) 4.476 8.883 ( -4.083 6.906 1.211) 8.114 8.981 ( -4.921 8.495 -1.765) 9.974 9.088 ( 0.062 -4.355 -1.333) 4.555 9.167 ( -0.585 -2.167 0.156) 2.249 9.585 ( 7.740 1.301 0.973) 7.909 9.653 ( 7.331 1.896 -1.368) 7.695 9.984 ( 0.286 -6.161 0.365) 6.179 10.045 ( -1.028 -6.741 1.188) 6.922 10.893 ( 1.721 -0.812 -1.986) 2.751 11.111 ( 2.088 2.110 0.818) 3.079 11.488 ( 3.768 -7.591 3.090) 9.020 11.565 ( 2.097 -4.214 0.924) 4.797 11.856 ( 0.158 -0.400 1.823) 1.873 11.977 ( -3.193 7.718 -2.040) 8.598 12.263 ( 0.294 3.134 -1.745) 3.599 12.461 ( -2.872 1.873 -4.343) 5.534 12.922 ( -3.088 5.094 4.300) 7.347 13.052 ( -3.508 -5.889 1.828) 7.094 13.447 ( -3.916 -4.220 -3.973) 6.995 13.459 ( -1.662 -3.573 3.342) 5.167 13.728 ( -0.973 5.232 0.198) 5.325 14.486 ( -4.160 13.754 1.610) 14.459 16.747 ( -1.670 1.302 0.755) 2.249 16.781 ( 0.193 -1.998 1.287) 2.384 17.332 ( 1.876 -2.790 7.810) 8.503 17.512 ( 7.696 -11.849 -17.211) 22.268 17.827 ( -2.701 8.556 -0.892) 9.017 17.954 ( -3.027 11.252 0.330) 11.656 19.019 ( 5.560 -14.380 20.940) 26.004 19.723 ( 5.178 -6.327 -15.792) 17.783======================= Grid point 401 (76/81) =======================q-point: (-0.42 0.50 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.550 ( -2.556 7.384 8.096) 11.252 2.711 ( 6.839 6.915 -2.793) 10.119 3.094 ( -0.128 -3.076 8.416) 8.962 3.262 ( -7.941 11.308 1.816) 13.937 3.409 ( -13.036 -7.343 1.040) 14.998 3.516 ( 7.297 2.313 6.997) 10.371 3.544 ( 0.125 -5.116 -4.365) 6.726 4.085 ( -5.636 -2.365 -4.316) 7.482 4.342 ( -5.184 1.338 0.420) 5.371 4.524 ( 8.320 0.676 -2.797) 8.803 4.727 ( 6.972 11.620 5.464) 14.611 4.928 ( 2.947 -9.793 -19.716) 22.210 5.800 ( -5.761 -6.945 -5.458) 10.546 5.865 ( -6.917 -13.337 5.556) 16.018 6.299 ( -4.374 3.584 -1.217) 5.785 6.367 ( 0.836 1.794 1.177) 2.303 6.895 ( -1.385 -1.741 -6.079) 6.473 7.047 ( 9.992 5.538 3.105) 11.839 7.141 ( -1.008 -6.458 10.785) 12.611 7.518 ( 4.426 5.943 0.560) 7.431 7.785 ( -3.601 4.754 4.713) 7.601 7.877 ( 1.330 1.325 2.576) 3.187 8.021 ( -1.376 -3.255 -8.500) 9.205 8.116 ( 3.809 -0.858 -4.218) 5.747 8.932 ( 0.082 -0.655 1.298) 1.456 9.063 ( -0.833 -3.788 -1.763) 4.261 9.085 ( 4.112 4.428 -1.911) 6.337 9.143 ( 0.570 2.470 1.205) 2.807 9.369 ( 2.907 4.464 3.433) 6.337 9.411 ( 2.287 3.011 -2.749) 4.674 10.062 ( -2.815 -5.103 -2.047) 6.177 10.116 ( -1.427 -0.533 2.449) 2.884 10.819 ( 1.361 -1.286 4.008) 4.424 11.018 ( 2.705 5.496 -1.786) 6.381 11.428 ( 0.566 -3.176 6.618) 7.363 11.507 ( -0.232 -4.855 -2.957) 5.689 11.865 ( -0.615 -0.788 -0.280) 1.038 11.959 ( 3.090 6.708 0.675) 7.416 12.292 ( -1.686 -1.052 -0.592) 2.073 12.532 ( -0.461 3.039 -10.069) 10.527 13.061 ( -4.623 -4.615 5.259) 8.386 13.182 ( -1.057 0.698 5.390) 5.536 13.567 ( -3.725 -3.645 -3.802) 6.451 13.676 ( 0.534 0.348 -0.663) 0.920 13.733 ( -8.843 -13.854 4.333) 16.997 14.461 ( 5.620 15.038 -2.149) 16.197 16.769 ( -1.724 -4.508 -5.373) 7.222 16.816 ( 0.668 2.406 4.702) 5.324 17.246 ( 1.014 -7.483 -5.642) 9.427 17.329 ( 1.959 -0.967 1.276) 2.530 17.828 ( 1.865 6.212 0.492) 6.504 17.918 ( 3.455 8.561 -0.304) 9.237 19.024 ( -3.445 -8.178 19.426) 21.357 19.588 ( 2.218 -0.624 -16.486) 16.647======================= Grid point 402 (77/81) =======================q-point: (-0.33 0.50 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 362Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.571 ( -5.627 12.670 9.924) 17.049 2.877 ( -0.141 5.264 -8.374) 9.892 3.081 ( -10.931 10.330 -8.652) 17.351 3.166 ( 5.474 -6.970 9.482) 12.979 3.286 ( -0.929 7.782 0.117) 7.838 3.430 ( -0.353 -9.017 -11.948) 14.973 3.720 ( 1.217 10.618 14.520) 18.029 3.919 ( -11.441 0.043 4.476) 12.286 4.242 ( -6.686 0.872 0.501) 6.761 4.681 ( 13.115 -4.819 -0.165) 13.973 4.900 ( 9.631 -15.319 -12.457) 21.968 5.011 ( 8.171 15.782 -2.557) 17.955 5.503 ( -10.267 -22.191 7.696) 25.634 5.656 ( -7.462 -3.255 -4.582) 9.342 6.249 ( -4.015 0.704 4.299) 5.925 6.377 ( -0.703 0.073 -3.702) 3.769 6.911 ( 3.125 1.495 -8.428) 9.112 7.067 ( -0.016 -6.808 5.059) 8.482 7.247 ( 7.176 2.817 0.013) 7.709 7.596 ( -0.541 3.009 0.331) 3.075 7.800 ( -2.488 7.270 5.679) 9.555 7.902 ( -0.057 2.860 -1.351) 3.164 7.998 ( 2.526 -4.336 -3.222) 5.963 8.154 ( 1.207 -0.041 0.814) 1.456 8.944 ( 0.667 1.520 0.596) 1.763 9.031 ( 0.102 -2.724 -0.394) 2.754 9.150 ( -2.316 5.081 -1.119) 5.694 9.188 ( 0.620 5.066 -0.147) 5.106 9.472 ( 5.443 1.615 2.177) 6.080 9.526 ( 7.576 1.961 -1.145) 7.909 9.963 ( -2.706 -4.615 -0.952) 5.434 10.043 ( -4.017 -4.369 1.634) 6.156 10.863 ( 2.859 1.969 1.168) 3.662 11.107 ( 1.705 3.927 -0.685) 4.336 11.380 ( 0.127 -6.461 3.975) 7.587 11.479 ( 2.461 -5.506 -0.272) 6.037 11.853 ( -0.111 -0.231 2.332) 2.346 12.085 ( 1.159 10.099 -1.036) 10.218 12.287 ( 0.321 2.767 -2.291) 3.607 12.518 ( -2.576 0.054 -7.456) 7.889 12.952 ( -2.951 -4.376 4.351) 6.840 13.125 ( -6.218 -1.692 6.056) 8.843 13.413 ( -3.651 -12.334 -0.677) 12.881 13.477 ( -3.216 -3.451 -1.327) 4.901 13.771 ( 1.126 4.419 1.641) 4.847 14.635 ( 0.419 10.971 -3.543) 11.537 16.722 ( 0.882 -3.558 -2.494) 4.434 16.808 ( -2.505 0.072 3.582) 4.371 17.239 ( 5.893 -6.587 -6.140) 10.761 17.325 ( 1.149 -4.434 -0.147) 4.583 17.939 ( 0.364 10.163 0.334) 10.175 18.071 ( 2.429 11.163 0.330) 11.429 18.875 ( -2.233 -11.241 19.056) 22.237 19.604 ( 2.730 -4.255 -15.547) 16.348======================= Grid point 403 (78/81) =======================q-point: (-0.25 0.50 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.608 ( -7.006 12.134 5.568) 15.077 2.801 ( -6.708 11.618 -1.763) 13.531 3.077 ( -5.623 9.739 -6.395) 12.937 3.248 ( 4.360 -7.552 4.528) 9.826 3.331 ( 5.186 -8.982 -9.651) 14.167 3.390 ( -4.285 7.423 -7.137) 11.154 3.710 ( 1.575 -2.728 -2.084) 3.777 3.844 ( -11.329 19.622 23.393) 32.567 4.182 ( -1.923 3.330 0.862) 3.941 4.780 ( 8.146 -14.110 -18.879) 24.937 5.033 ( 9.459 -16.384 15.529) 24.476 5.060 ( 3.891 -6.739 -11.272) 13.698 5.325 ( -2.660 4.607 12.481) 13.568 5.523 ( -0.475 0.823 -6.722) 6.789 6.214 ( -0.123 0.213 6.154) 6.159 6.365 ( 0.229 -0.397 -6.151) 6.168 6.979 ( -2.814 4.875 -10.223) 11.671 7.008 ( 5.776 -10.003 3.803) 12.161 7.323 ( 0.981 -1.698 -2.340) 3.053 7.596 ( -0.827 1.433 -1.480) 2.220 7.817 ( -5.258 9.107 7.212) 12.751 7.920 ( -0.375 0.649 -0.560) 0.936 8.001 ( 2.719 -4.709 -2.231) 5.877 8.162 ( -0.435 0.754 2.905) 3.033 8.973 ( -1.136 1.968 -1.295) 2.615 9.001 ( 0.885 -1.533 1.269) 2.178 9.179 ( -4.630 8.019 -3.642) 9.950 9.194 ( -2.257 3.910 3.810) 5.908 9.543 ( 2.981 -5.164 0.760) 6.011 9.624 ( 2.851 -4.938 -1.302) 5.849 9.922 ( 0.416 -0.721 -1.236) 1.490 9.950 ( 1.006 -1.742 3.061) 3.663 10.909 ( -1.217 2.107 -1.003) 2.632 11.138 ( -0.516 0.894 0.838) 1.329 11.344 ( 3.742 -6.482 2.958) 8.048 11.473 ( 3.136 -5.431 -0.070) 6.272 11.854 ( -0.231 0.399 3.919) 3.946 12.148 ( -5.415 9.380 -3.204) 11.295 12.328 ( -1.791 3.102 -1.578) 3.914 12.481 ( -0.279 0.484 -6.884) 6.906 12.893 ( 3.769 -6.528 5.120) 9.113 13.032 ( -1.242 2.151 5.552) 6.082 13.347 ( 2.532 -4.385 -4.956) 7.085 13.427 ( 0.666 -1.153 2.660) 2.975 13.803 ( -1.554 2.692 1.993) 3.693 14.691 ( -4.407 7.633 -4.079) 9.712 16.720 ( 1.858 -3.219 0.291) 3.728 16.776 ( -0.342 0.592 0.658) 0.949 17.285 ( 5.702 -9.875 -11.271) 16.033 17.290 ( 1.103 -1.911 4.963) 5.431 17.996 ( -5.092 8.820 0.023) 10.185 18.161 ( -5.292 9.165 0.215) 10.585 18.787 ( 5.655 -9.795 19.456) 22.505 19.605 ( 3.228 -5.591 -15.111) 16.432======================= Grid point 413 (79/81) =======================q-point: (-0.42 0.58 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.712 ( 4.422 7.660 6.951) 11.249 2.884 ( 5.433 9.410 -5.376) 12.123 3.012 ( -1.703 -2.950 11.190) 11.697 3.270 ( -5.783 -10.016 -21.626) 24.525 3.371 ( 1.495 2.589 -7.533) 8.104 3.382 ( -0.212 -0.367 0.564) 0.706 3.823 ( 10.269 17.787 27.997) 34.722 3.960 ( -4.686 -8.116 -3.722) 10.083 4.325 ( -2.460 -4.260 2.110) 5.353 4.499 ( -0.187 -0.324 7.670) 7.679 4.729 ( -6.153 -10.657 -14.770) 19.224 5.040 ( 10.423 18.053 -6.539) 21.847 5.477 ( -13.277 -22.996 10.293) 28.479 5.728 ( -0.405 -0.702 -8.551) 8.589 6.309 ( -2.957 -5.122 0.753) 5.962 6.327 ( -2.230 -3.862 0.496) 4.487 6.871 ( -0.149 -0.259 -10.103) 10.108 7.058 ( -0.918 -1.590 1.249) 2.221 7.197 ( 4.186 7.250 2.138) 8.640 7.615 ( 1.437 2.489 0.210) 2.881 7.843 ( 1.028 1.780 -0.513) 2.119 7.942 ( -1.071 -1.856 -6.764) 7.095 7.958 ( 2.925 5.065 9.575) 11.220 8.147 ( 1.496 2.592 0.361) 3.015 8.949 ( 1.146 1.985 1.905) 2.980 8.995 ( -0.861 -1.491 -1.488) 2.276 9.191 ( 1.291 2.236 0.700) 2.675 9.205 ( 3.584 6.207 -0.939) 7.229 9.444 ( 1.385 2.399 1.891) 3.354 9.476 ( 1.916 3.319 -0.944) 3.947 9.965 ( -2.438 -4.222 -1.519) 5.107 10.061 ( -2.839 -4.918 1.900) 5.988 10.844 ( 2.239 3.878 4.179) 6.125 11.117 ( 2.405 4.166 -2.651) 5.493 11.365 ( -2.154 -3.730 6.272) 7.609 11.408 ( -2.700 -4.677 -2.869) 6.115 11.853 ( -0.037 -0.064 2.608) 2.609 12.123 ( 5.776 10.005 0.035) 11.553 12.299 ( 0.958 1.659 -2.342) 3.026 12.541 ( -1.084 -1.878 -9.668) 9.908 12.961 ( -3.195 -5.534 4.717) 7.943 13.171 ( -2.673 -4.629 7.200) 8.967 13.376 ( -7.516 -13.018 -0.819) 15.054 13.488 ( -2.534 -4.389 -1.957) 5.432 13.782 ( 2.275 3.941 2.402) 5.145 14.685 ( 4.767 8.258 -5.782) 11.151 16.695 ( -1.535 -2.659 -4.341) 5.317 16.831 ( -1.104 -1.913 4.202) 4.747 17.142 ( -0.947 -1.640 -5.539) 5.854 17.305 ( -1.033 -1.789 2.199) 3.017 17.991 ( 5.653 9.791 1.626) 11.422 18.098 ( 5.445 9.431 -0.009) 10.890 18.845 ( -5.897 -10.214 16.972) 20.668 19.559 ( -1.222 -2.116 -15.078) 15.275======================= Grid point 415 (80/81) =======================q-point: (-0.33 0.58 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.797 ( -3.387 9.706 6.819) 12.336 2.954 ( -4.405 2.714 -6.394) 8.225 3.036 ( 6.845 -5.178 5.436) 10.160 3.150 ( 2.955 -7.617 -14.771) 16.880 3.380 ( -6.523 11.733 -4.778) 14.250 3.506 ( 5.805 11.128 -6.527) 14.147 3.757 ( -11.327 -2.708 -4.312) 12.419 4.143 ( 2.307 17.821 22.002) 28.408 4.222 ( -2.540 -3.910 1.004) 4.769 4.483 ( 1.700 -11.836 -6.921) 13.816 4.641 ( 14.478 -10.033 7.914) 19.310 4.981 ( -10.455 -23.933 9.735) 27.872 5.450 ( 8.020 20.900 -1.096) 22.413 5.702 ( -10.699 7.477 -6.868) 14.750 6.165 ( -1.801 -8.508 0.097) 8.697 6.244 ( 3.669 -13.982 0.284) 14.458 6.895 ( 1.947 0.093 -8.462) 8.683 7.018 ( -0.791 -2.509 -8.369) 8.773 7.327 ( 1.724 6.797 -1.794) 7.238 7.602 ( -0.919 -2.982 -1.103) 3.310 7.842 ( 1.685 -3.892 -6.796) 8.011 7.973 ( -1.375 7.375 6.453) 9.896 8.031 ( -0.467 4.469 6.771) 8.126 8.191 ( 0.073 2.832 3.596) 4.578 8.981 ( 0.462 2.161 0.361) 2.239 8.998 ( 0.391 -0.193 0.209) 0.483 9.240 ( 1.327 3.945 1.542) 4.438 9.291 ( -0.723 3.840 -0.759) 3.980 9.455 ( 1.489 -2.483 0.436) 2.928 9.522 ( 2.560 -2.454 -0.768) 3.628 9.920 ( -0.386 -0.129 0.651) 0.768 9.960 ( -3.037 -3.334 2.392) 5.105 10.946 ( 2.398 6.104 1.990) 6.853 11.163 ( -0.634 1.950 -2.164) 2.981 11.272 ( -2.347 -4.295 2.904) 5.691 11.358 ( 2.839 -6.857 -0.484) 7.438 11.867 ( 0.207 1.636 5.913) 6.138 12.301 ( -0.295 10.757 -3.258) 11.243 12.360 ( 3.572 5.529 -2.914) 7.199 12.486 ( -1.784 -2.816 -7.146) 7.885 12.831 ( -5.088 -6.825 4.206) 9.495 12.988 ( -0.659 -12.319 3.839) 12.920 13.308 ( 0.460 0.928 -0.941) 1.400 13.414 ( -1.367 -3.090 0.668) 3.445 13.836 ( 0.401 2.277 3.627) 4.302 14.786 ( 0.058 4.897 -8.259) 9.602 16.673 ( 0.831 -1.102 -1.743) 2.223 16.766 ( -1.207 -4.201 0.302) 4.381 17.165 ( 2.818 -0.126 -3.229) 4.287 17.264 ( -0.739 -2.959 2.113) 3.711 18.153 ( -0.828 11.790 2.262) 12.034 18.264 ( 3.589 8.008 0.231) 8.779 18.652 ( -2.669 -11.912 15.599) 19.807 19.523 ( 0.735 -3.675 -14.089) 14.579======================= Grid point 428 (81/81) =======================q-point: (-0.33 -0.33 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 81Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.938 ( -2.796 -4.843 5.500) 7.843 2.938 ( 2.796 4.843 5.500) 7.843 3.020 ( -2.393 -4.145 -10.129) 11.202 3.020 ( 2.393 4.145 -10.129) 11.202 3.518 ( 0.000 0.000 -2.043) 2.043 3.709 ( -2.475 -4.287 -10.282) 11.412 3.709 ( 2.475 4.287 -10.282) 11.412 4.101 ( -0.000 -0.000 -5.148) 5.148 4.350 ( -0.000 -0.000 -7.469) 7.469 4.529 ( -0.000 -0.000 14.235) 14.235 4.541 ( -8.096 -14.023 20.742) 26.314 4.541 ( 8.096 14.023 20.742) 26.314 5.841 ( -3.068 -5.314 -3.400) 7.015 5.841 ( 3.068 5.314 -3.400) 7.015 5.918 ( -0.000 -0.000 4.476) 4.476 6.019 ( -0.000 -0.000 -6.618) 6.618 6.944 ( -2.051 -3.552 -10.641) 11.405 6.944 ( 2.051 3.552 -10.641) 11.405 7.484 ( -4.136 -7.163 -1.929) 8.494 7.484 ( 4.136 7.163 -1.929) 8.494 7.804 ( 0.000 0.000 -6.026) 6.026 8.067 ( -0.752 -1.302 6.777) 6.941 8.067 ( 0.752 1.302 6.777) 6.941 8.225 ( 0.000 0.000 4.870) 4.870 9.004 ( 0.000 0.000 -0.094) 0.094 9.007 ( 0.000 0.000 1.152) 1.152 9.300 ( -1.114 -1.929 0.732) 2.345 9.300 ( 1.114 1.929 0.732) 2.345 9.456 ( -1.536 -2.661 -1.020) 3.238 9.456 ( 1.536 2.661 -1.020) 3.238 9.927 ( -0.270 -0.468 2.863) 2.913 9.927 ( 0.270 0.468 2.863) 2.913 11.035 ( 0.000 0.000 2.766) 2.766 11.185 ( 0.000 0.000 -4.089) 4.089 11.245 ( -1.494 -2.588 1.010) 3.154 11.245 ( 1.494 2.588 1.010) 3.154 11.891 ( 0.000 0.000 7.921) 7.921 12.415 ( -1.906 -3.301 -5.765) 6.912 12.415 ( 1.906 3.301 -5.765) 6.912 12.503 ( 0.000 0.000 -4.301) 4.301 12.779 ( -2.393 -4.145 3.431) 5.889 12.779 ( 2.393 4.145 3.431) 5.889 13.356 ( -1.509 -2.614 0.677) 3.093 13.356 ( 1.509 2.614 0.677) 3.093 13.858 ( 0.000 0.000 4.569) 4.569 14.832 ( 0.000 0.000 -10.186) 10.186 16.689 ( -1.401 -2.426 -1.133) 3.022 16.689 ( 1.401 2.426 -1.133) 3.022 17.203 ( -1.552 -2.688 0.424) 3.133 17.203 ( 1.552 2.688 0.424) 3.133 18.345 ( -0.685 -1.186 -0.129) 1.375 18.345 ( 0.685 1.186 -0.129) 1.375 18.460 ( 0.000 0.000 17.702) 17.702 19.483 ( 0.000 0.000 -13.423) 13.423=================== 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 3/38880 10.0 4755.874 4755.874 2047.637 -0.000 0.000 0.000 3/38880 20.0 813.106 813.106 760.088 -0.000 0.000 0.000 3/38880 30.0 280.424 280.424 275.976 -0.000 0.000 0.000 3/38880 40.0 139.938 139.938 139.896 -0.000 0.000 0.000 3/38880 50.0 82.609 82.609 83.892 -0.000 0.000 0.000 3/38880 60.0 54.316 54.316 56.056 -0.000 0.000 0.000 3/38880 70.0 38.564 38.564 40.373 -0.000 0.000 0.000 3/38880 80.0 28.993 28.993 30.715 -0.000 0.000 0.000 3/38880 90.0 22.777 22.777 24.361 -0.000 0.000 0.000 3/38880 100.0 18.524 18.524 19.962 -0.000 0.000 0.000 3/38880 110.0 15.488 15.488 16.789 -0.000 0.000 0.000 3/38880 120.0 13.244 13.244 14.422 -0.000 0.000 0.000 3/38880 130.0 11.534 11.534 12.607 -0.000 0.000 0.000 3/38880 140.0 10.200 10.200 11.180 -0.000 0.000 0.000 3/38880 150.0 9.135 9.135 10.036 -0.000 0.000 0.000 3/38880 160.0 8.269 8.269 9.101 -0.000 0.000 0.000 3/38880 170.0 7.554 7.554 8.326 -0.000 0.000 0.000 3/38880 180.0 6.954 6.954 7.674 -0.000 0.000 0.000 3/38880 190.0 6.445 6.445 7.119 -0.000 0.000 0.000 3/38880 200.0 6.008 6.008 6.641 -0.000 0.000 0.000 3/38880 210.0 5.628 5.628 6.226 -0.000 0.000 0.000 3/38880 220.0 5.296 5.296 5.862 -0.000 0.000 0.000 3/38880 230.0 5.003 5.003 5.540 -0.000 0.000 0.000 3/38880 240.0 4.742 4.742 5.253 -0.000 0.000 0.000 3/38880 250.0 4.509 4.509 4.996 -0.000 0.000 0.000 3/38880 260.0 4.299 4.299 4.765 -0.000 0.000 0.000 3/38880 270.0 4.108 4.108 4.555 -0.000 0.000 0.000 3/38880 280.0 3.935 3.935 4.364 -0.000 0.000 0.000 3/38880 290.0 3.777 3.777 4.189 -0.000 0.000 0.000 3/38880 300.0 3.631 3.631 4.029 -0.000 0.000 0.000 3/38880 310.0 3.497 3.497 3.881 -0.000 0.000 0.000 3/38880 320.0 3.373 3.373 3.744 -0.000 0.000 0.000 3/38880 330.0 3.258 3.258 3.617 -0.000 0.000 0.000 3/38880 340.0 3.151 3.151 3.498 -0.000 0.000 0.000 3/38880 350.0 3.052 3.052 3.388 -0.000 0.000 0.000 3/38880 360.0 2.958 2.958 3.284 -0.000 0.000 0.000 3/38880 370.0 2.871 2.871 3.187 -0.000 0.000 0.000 3/38880 380.0 2.788 2.788 3.096 -0.000 0.000 0.000 3/38880 390.0 2.711 2.711 3.010 -0.000 0.000 0.000 3/38880 400.0 2.638 2.638 2.929 -0.000 0.000 0.000 3/38880 410.0 2.569 2.569 2.853 -0.000 0.000 0.000 3/38880 420.0 2.503 2.503 2.780 -0.000 0.000 0.000 3/38880 430.0 2.441 2.441 2.711 -0.000 0.000 0.000 3/38880 440.0 2.382 2.382 2.646 -0.000 0.000 0.000 3/38880 450.0 2.326 2.326 2.584 -0.000 0.000 0.000 3/38880 460.0 2.272 2.272 2.524 -0.000 0.000 0.000 3/38880 470.0 2.221 2.221 2.468 -0.000 0.000 0.000 3/38880 480.0 2.173 2.173 2.414 -0.000 0.000 0.000 3/38880 490.0 2.126 2.126 2.362 -0.000 0.000 0.000 3/38880 500.0 2.082 2.082 2.313 -0.000 0.000 0.000 3/38880 510.0 2.039 2.039 2.266 -0.000 0.000 0.000 3/38880 520.0 1.998 1.998 2.220 -0.000 0.000 0.000 3/38880 530.0 1.959 1.959 2.177 -0.000 0.000 0.000 3/38880 540.0 1.921 1.921 2.135 -0.000 0.000 0.000 3/38880 550.0 1.885 1.885 2.095 -0.000 0.000 0.000 3/38880 560.0 1.850 1.850 2.056 -0.000 0.000 0.000 3/38880 570.0 1.817 1.817 2.019 -0.000 0.000 0.000 3/38880 580.0 1.784 1.784 1.983 -0.000 0.000 0.000 3/38880 590.0 1.753 1.753 1.948 -0.000 0.000 0.000 3/38880 600.0 1.723 1.723 1.915 -0.000 0.000 0.000 3/38880 610.0 1.694 1.694 1.882 -0.000 0.000 0.000 3/38880 620.0 1.666 1.666 1.851 -0.000 0.000 0.000 3/38880 630.0 1.639 1.639 1.821 -0.000 0.000 0.000 3/38880 640.0 1.612 1.612 1.792 -0.000 0.000 0.000 3/38880 650.0 1.587 1.587 1.764 -0.000 0.000 0.000 3/38880 660.0 1.562 1.562 1.736 -0.000 0.000 0.000 3/38880 670.0 1.538 1.538 1.710 -0.000 0.000 0.000 3/38880 680.0 1.515 1.515 1.684 -0.000 0.000 0.000 3/38880 690.0 1.493 1.493 1.659 -0.000 0.000 0.000 3/38880 700.0 1.471 1.471 1.635 -0.000 0.000 0.000 3/38880 710.0 1.450 1.450 1.611 -0.000 0.000 0.000 3/38880 720.0 1.429 1.429 1.589 -0.000 0.000 0.000 3/38880 730.0 1.409 1.409 1.566 -0.000 0.000 0.000 3/38880 740.0 1.390 1.390 1.545 -0.000 0.000 0.000 3/38880 750.0 1.371 1.371 1.524 -0.000 0.000 0.000 3/38880 760.0 1.353 1.353 1.503 -0.000 0.000 0.000 3/38880 770.0 1.335 1.335 1.484 -0.000 0.000 0.000 3/38880 780.0 1.317 1.317 1.464 -0.000 0.000 0.000 3/38880 790.0 1.300 1.300 1.445 -0.000 0.000 0.000 3/38880 800.0 1.284 1.284 1.427 -0.000 0.000 0.000 3/38880 810.0 1.268 1.268 1.409 -0.000 0.000 0.000 3/38880 820.0 1.252 1.252 1.392 -0.000 0.000 0.000 3/38880 830.0 1.237 1.237 1.375 -0.000 0.000 0.000 3/38880 840.0 1.222 1.222 1.358 -0.000 0.000 0.000 3/38880 850.0 1.207 1.207 1.342 -0.000 0.000 0.000 3/38880 860.0 1.193 1.193 1.326 -0.000 0.000 0.000 3/38880 870.0 1.179 1.179 1.311 -0.000 0.000 0.000 3/38880 880.0 1.166 1.166 1.296 -0.000 0.000 0.000 3/38880 890.0 1.152 1.152 1.281 -0.000 0.000 0.000 3/38880 900.0 1.139 1.139 1.267 -0.000 0.000 0.000 3/38880 910.0 1.127 1.127 1.252 -0.000 0.000 0.000 3/38880 920.0 1.114 1.114 1.239 -0.000 0.000 0.000 3/38880 930.0 1.102 1.102 1.225 -0.000 0.000 0.000 3/38880 940.0 1.090 1.090 1.212 -0.000 0.000 0.000 3/38880 950.0 1.079 1.079 1.199 -0.000 0.000 0.000 3/38880 960.0 1.067 1.067 1.187 -0.000 0.000 0.000 3/38880 970.0 1.056 1.056 1.174 -0.000 0.000 0.000 3/38880 980.0 1.045 1.045 1.162 -0.000 0.000 0.000 3/38880 990.0 1.035 1.035 1.150 -0.000 0.000 0.000 3/38880 1000.0 1.024 1.024 1.139 -0.000 0.000 0.000 3/38880Thermal conductivity related properties were written into "kappa-m12125.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 21:21:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|