----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:49:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.577470530000000 -2.739112200000000 0.000000000000000 b 7.577470530000000 2.739112200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.319110650000000 Atomic positions (fractional): *1 O 0.24387970872280 0.25885054587538 0.51468303276575 15.999 2 O 0.75612029127720 0.74114945412462 0.01468303276575 15.999 3 O 0.25885054587538 0.24387970872280 0.01468303276575 15.999 4 O 0.74114945412462 0.75612029127720 0.51468303276575 15.999 *5 O 0.08131481930024 0.73417160846423 0.32410550179703 15.999 6 O 0.91868518069976 0.26582839153577 0.82410550179703 15.999 *7 O 0.53160536330558 0.46839463669442 0.52646226164499 15.999 8 O 0.46839463669442 0.53160536330558 0.02646226164499 15.999 9 O 0.26582839153577 0.91868518069976 0.32410550179703 15.999 10 O 0.73417160846423 0.08131481930024 0.82410550179703 15.999 *11 Si 0.32057835629105 0.67942164370895 0.29933085093403 28.085 12 Si 0.67942164370895 0.32057835629105 0.79933085093403 28.085 *13 Bi 0.05684452388971 0.61279930693594 0.74731487914772 208.980 14 Bi 0.94315547611029 0.38720069306406 0.24731487914772 208.980 15 Bi 0.61279930693594 0.05684452388971 0.24731487914772 208.980 16 Bi 0.38720069306406 0.94315547611029 0.74731487914772 208.980 -------------------------------- unit cell --------------------------------- Lattice vectors: a 15.154941060000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.478224399999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.319110650000000 Atomic positions (fractional): *1 O 0.25136512729909 0.00748541857629 0.51468303276575 15.999 > 1 2 O 0.24863487270091 0.49251458142371 0.01468303276575 15.999 > 2 3 O 0.25136512729909 0.99251458142371 0.01468303276575 15.999 > 3 4 O 0.24863487270091 0.50748541857629 0.51468303276575 15.999 > 4 *5 O 0.40774321388224 0.32642839458200 0.32410550179703 15.999 > 5 6 O 0.09225678611776 0.17357160541801 0.82410550179703 15.999 > 6 *7 O 0.00000000000000 0.46839463669442 0.52646226164499 15.999 > 7 8 O 0.00000000000000 0.53160536330558 0.02646226164499 15.999 > 8 9 O 0.09225678611776 0.82642839458200 0.32410550179703 15.999 > 9 10 O 0.40774321388224 0.67357160541800 0.82410550179703 15.999 > 10 11 O 0.75136512729909 0.50748541857629 0.51468303276575 15.999 > 1 12 O 0.74863487270091 0.99251458142371 0.01468303276575 15.999 > 2 13 O 0.75136512729909 0.49251458142371 0.01468303276575 15.999 > 3 14 O 0.74863487270091 0.00748541857629 0.51468303276575 15.999 > 4 15 O 0.90774321388224 0.82642839458200 0.32410550179703 15.999 > 5 16 O 0.59225678611776 0.67357160541800 0.82410550179703 15.999 > 6 17 O 0.50000000000000 0.96839463669442 0.52646226164499 15.999 > 7 18 O 0.50000000000000 0.03160536330558 0.02646226164499 15.999 > 8 19 O 0.59225678611776 0.32642839458200 0.32410550179703 15.999 > 9 20 O 0.90774321388224 0.17357160541800 0.82410550179703 15.999 > 10 *21 Si 0.00000000000000 0.67942164370895 0.29933085093403 28.085 > 11 22 Si 0.00000000000000 0.32057835629105 0.79933085093403 28.085 > 12 23 Si 0.50000000000000 0.17942164370895 0.29933085093403 28.085 > 11 24 Si 0.50000000000000 0.82057835629105 0.79933085093403 28.085 > 12 *25 Bi 0.33482191541283 0.27797739152312 0.74731487914772 208.980 > 13 26 Bi 0.16517808458717 0.22202260847688 0.24731487914772 208.980 > 14 27 Bi 0.33482191541283 0.72202260847688 0.24731487914772 208.980 > 15 28 Bi 0.16517808458717 0.77797739152312 0.74731487914772 208.980 > 16 29 Bi 0.83482191541283 0.77797739152312 0.74731487914772 208.980 > 13 30 Bi 0.66517808458717 0.72202260847688 0.24731487914772 208.980 > 14 31 Bi 0.83482191541283 0.22202260847688 0.24731487914772 208.980 > 15 32 Bi 0.66517808458717 0.27797739152312 0.74731487914772 208.980 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.154941060000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.956448799999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.638221300000000 Atomic positions (fractional): *1 O 0.25136512729909 0.00374270928814 0.25734151638287 15.999 > 1 2 O 0.25136512729909 0.50374270928814 0.25734151638287 15.999 > 1 3 O 0.25136512729909 0.00374270928814 0.75734151638287 15.999 > 1 4 O 0.25136512729909 0.50374270928814 0.75734151638287 15.999 > 1 5 O 0.24863487270091 0.24625729071186 0.00734151638287 15.999 > 2 6 O 0.24863487270091 0.74625729071186 0.00734151638287 15.999 > 2 7 O 0.24863487270091 0.24625729071186 0.50734151638287 15.999 > 2 8 O 0.24863487270091 0.74625729071186 0.50734151638287 15.999 > 2 9 O 0.25136512729909 0.49625729071186 0.00734151638287 15.999 > 3 10 O 0.25136512729909 0.99625729071186 0.00734151638287 15.999 > 3 11 O 0.25136512729909 0.49625729071186 0.50734151638287 15.999 > 3 12 O 0.25136512729909 0.99625729071186 0.50734151638287 15.999 > 3 13 O 0.24863487270091 0.25374270928814 0.25734151638287 15.999 > 4 14 O 0.24863487270091 0.75374270928814 0.25734151638287 15.999 > 4 15 O 0.24863487270091 0.25374270928814 0.75734151638287 15.999 > 4 16 O 0.24863487270091 0.75374270928814 0.75734151638287 15.999 > 4 *17 O 0.40774321388224 0.16321419729100 0.16205275089851 15.999 > 5 18 O 0.40774321388224 0.66321419729100 0.16205275089851 15.999 > 5 19 O 0.40774321388224 0.16321419729100 0.66205275089851 15.999 > 5 20 O 0.40774321388224 0.66321419729100 0.66205275089851 15.999 > 5 21 O 0.09225678611776 0.08678580270900 0.41205275089851 15.999 > 6 22 O 0.09225678611776 0.58678580270900 0.41205275089851 15.999 > 6 23 O 0.09225678611776 0.08678580270900 0.91205275089851 15.999 > 6 24 O 0.09225678611776 0.58678580270900 0.91205275089851 15.999 > 6 *25 O 0.00000000000000 0.23419731834721 0.26323113082249 15.999 > 7 26 O 0.00000000000000 0.73419731834721 0.26323113082249 15.999 > 7 27 O 0.00000000000000 0.23419731834721 0.76323113082249 15.999 > 7 28 O 0.00000000000000 0.73419731834721 0.76323113082249 15.999 > 7 29 O 0.00000000000000 0.26580268165279 0.01323113082249 15.999 > 8 30 O 0.00000000000000 0.76580268165279 0.01323113082249 15.999 > 8 31 O 0.00000000000000 0.26580268165279 0.51323113082249 15.999 > 8 32 O 0.00000000000000 0.76580268165279 0.51323113082249 15.999 > 8 33 O 0.09225678611776 0.41321419729100 0.16205275089851 15.999 > 9 34 O 0.09225678611776 0.91321419729100 0.16205275089851 15.999 > 9 35 O 0.09225678611776 0.41321419729100 0.66205275089851 15.999 > 9 36 O 0.09225678611776 0.91321419729100 0.66205275089851 15.999 > 9 37 O 0.40774321388224 0.33678580270900 0.41205275089851 15.999 > 10 38 O 0.40774321388224 0.83678580270900 0.41205275089851 15.999 > 10 39 O 0.40774321388224 0.33678580270900 0.91205275089851 15.999 > 10 40 O 0.40774321388224 0.83678580270900 0.91205275089851 15.999 > 10 41 O 0.75136512729909 0.25374270928814 0.25734151638287 15.999 > 1 42 O 0.75136512729909 0.75374270928814 0.25734151638287 15.999 > 1 43 O 0.75136512729909 0.25374270928814 0.75734151638287 15.999 > 1 44 O 0.75136512729909 0.75374270928814 0.75734151638287 15.999 > 1 45 O 0.74863487270091 0.49625729071186 0.00734151638287 15.999 > 2 46 O 0.74863487270091 0.99625729071186 0.00734151638287 15.999 > 2 47 O 0.74863487270091 0.49625729071186 0.50734151638287 15.999 > 2 48 O 0.74863487270091 0.99625729071186 0.50734151638287 15.999 > 2 49 O 0.75136512729909 0.24625729071186 0.00734151638287 15.999 > 3 50 O 0.75136512729909 0.74625729071186 0.00734151638287 15.999 > 3 51 O 0.75136512729909 0.24625729071186 0.50734151638287 15.999 > 3 52 O 0.75136512729909 0.74625729071186 0.50734151638287 15.999 > 3 53 O 0.74863487270091 0.00374270928814 0.25734151638287 15.999 > 4 54 O 0.74863487270091 0.50374270928814 0.25734151638287 15.999 > 4 55 O 0.74863487270091 0.00374270928814 0.75734151638287 15.999 > 4 56 O 0.74863487270091 0.50374270928814 0.75734151638287 15.999 > 4 57 O 0.90774321388224 0.41321419729100 0.16205275089851 15.999 > 5 58 O 0.90774321388224 0.91321419729100 0.16205275089851 15.999 > 5 59 O 0.90774321388224 0.41321419729100 0.66205275089851 15.999 > 5 60 O 0.90774321388224 0.91321419729100 0.66205275089851 15.999 > 5 61 O 0.59225678611776 0.33678580270900 0.41205275089851 15.999 > 6 62 O 0.59225678611776 0.83678580270900 0.41205275089851 15.999 > 6 63 O 0.59225678611776 0.33678580270900 0.91205275089851 15.999 > 6 64 O 0.59225678611776 0.83678580270900 0.91205275089851 15.999 > 6 65 O 0.50000000000000 0.48419731834721 0.26323113082249 15.999 > 7 66 O 0.50000000000000 0.98419731834721 0.26323113082249 15.999 > 7 67 O 0.50000000000000 0.48419731834721 0.76323113082249 15.999 > 7 68 O 0.50000000000000 0.98419731834721 0.76323113082249 15.999 > 7 69 O 0.50000000000000 0.01580268165279 0.01323113082249 15.999 > 8 70 O 0.50000000000000 0.51580268165279 0.01323113082249 15.999 > 8 71 O 0.50000000000000 0.01580268165279 0.51323113082249 15.999 > 8 72 O 0.50000000000000 0.51580268165279 0.51323113082249 15.999 > 8 73 O 0.59225678611776 0.16321419729100 0.16205275089851 15.999 > 9 74 O 0.59225678611776 0.66321419729100 0.16205275089851 15.999 > 9 75 O 0.59225678611776 0.16321419729100 0.66205275089851 15.999 > 9 76 O 0.59225678611776 0.66321419729100 0.66205275089851 15.999 > 9 77 O 0.90774321388224 0.08678580270900 0.41205275089851 15.999 > 10 78 O 0.90774321388224 0.58678580270900 0.41205275089851 15.999 > 10 79 O 0.90774321388224 0.08678580270900 0.91205275089851 15.999 > 10 80 O 0.90774321388224 0.58678580270900 0.91205275089851 15.999 > 10 *81 Si 0.00000000000000 0.33971082185448 0.14966542546702 28.085 > 11 82 Si 0.00000000000000 0.83971082185448 0.14966542546702 28.085 > 11 83 Si 0.00000000000000 0.33971082185448 0.64966542546702 28.085 > 11 84 Si 0.00000000000000 0.83971082185448 0.64966542546702 28.085 > 11 85 Si 0.00000000000000 0.16028917814552 0.39966542546702 28.085 > 12 86 Si 0.00000000000000 0.66028917814552 0.39966542546702 28.085 > 12 87 Si 0.00000000000000 0.16028917814552 0.89966542546702 28.085 > 12 88 Si 0.00000000000000 0.66028917814552 0.89966542546702 28.085 > 12 89 Si 0.50000000000000 0.08971082185448 0.14966542546702 28.085 > 11 90 Si 0.50000000000000 0.58971082185448 0.14966542546702 28.085 > 11 91 Si 0.50000000000000 0.08971082185448 0.64966542546702 28.085 > 11 92 Si 0.50000000000000 0.58971082185448 0.64966542546702 28.085 > 11 93 Si 0.50000000000000 0.41028917814552 0.39966542546702 28.085 > 12 94 Si 0.50000000000000 0.91028917814552 0.39966542546702 28.085 > 12 95 Si 0.50000000000000 0.41028917814552 0.89966542546702 28.085 > 12 96 Si 0.50000000000000 0.91028917814552 0.89966542546702 28.085 > 12 *97 Bi 0.33482191541283 0.13898869576156 0.37365743957386 208.980 > 13 98 Bi 0.33482191541283 0.63898869576156 0.37365743957386 208.980 > 13 99 Bi 0.33482191541283 0.13898869576156 0.87365743957386 208.980 > 13 100 Bi 0.33482191541283 0.63898869576156 0.87365743957386 208.980 > 13 101 Bi 0.16517808458717 0.11101130423844 0.12365743957386 208.980 > 14 102 Bi 0.16517808458717 0.61101130423844 0.12365743957386 208.980 > 14 103 Bi 0.16517808458717 0.11101130423844 0.62365743957386 208.980 > 14 104 Bi 0.16517808458717 0.61101130423844 0.62365743957386 208.980 > 14 105 Bi 0.33482191541283 0.36101130423844 0.12365743957386 208.980 > 15 106 Bi 0.33482191541283 0.86101130423844 0.12365743957386 208.980 > 15 107 Bi 0.33482191541283 0.36101130423844 0.62365743957386 208.980 > 15 108 Bi 0.33482191541283 0.86101130423844 0.62365743957386 208.980 > 15 109 Bi 0.16517808458717 0.38898869576156 0.37365743957386 208.980 > 16 110 Bi 0.16517808458717 0.88898869576156 0.37365743957386 208.980 > 16 111 Bi 0.16517808458717 0.38898869576156 0.87365743957386 208.980 > 16 112 Bi 0.16517808458717 0.88898869576156 0.87365743957386 208.980 > 16 113 Bi 0.83482191541283 0.38898869576156 0.37365743957386 208.980 > 13 114 Bi 0.83482191541283 0.88898869576156 0.37365743957386 208.980 > 13 115 Bi 0.83482191541283 0.38898869576156 0.87365743957386 208.980 > 13 116 Bi 0.83482191541283 0.88898869576156 0.87365743957386 208.980 > 13 117 Bi 0.66517808458717 0.36101130423844 0.12365743957386 208.980 > 14 118 Bi 0.66517808458717 0.86101130423844 0.12365743957386 208.980 > 14 119 Bi 0.66517808458717 0.36101130423844 0.62365743957386 208.980 > 14 120 Bi 0.66517808458717 0.86101130423844 0.62365743957386 208.980 > 14 121 Bi 0.83482191541283 0.11101130423844 0.12365743957386 208.980 > 15 122 Bi 0.83482191541283 0.61101130423844 0.12365743957386 208.980 > 15 123 Bi 0.83482191541283 0.11101130423844 0.62365743957386 208.980 > 15 124 Bi 0.83482191541283 0.61101130423844 0.62365743957386 208.980 > 15 125 Bi 0.66517808458717 0.13898869576156 0.37365743957386 208.980 > 16 126 Bi 0.66517808458717 0.63898869576156 0.37365743957386 208.980 > 16 127 Bi 0.66517808458717 0.13898869576156 0.87365743957386 208.980 > 16 128 Bi 0.66517808458717 0.63898869576156 0.87365743957386 208.980 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5605716 0.0000000 0.0000000 0.0000000 5.2147238 0.0000000 0.0000000 0.0000000 5.2585544 -------------------------- Born effective charges -------------------------- 1 O -1.9261915 -0.0949747 -0.1129412 -0.2875107 -2.9511692 -0.1015063 -0.1488992 0.1785196 -2.8961181 2 O -1.9261915 -0.0949747 0.1129412 -0.2875107 -2.9511692 0.1015063 0.1488992 -0.1785196 -2.8961181 3 O -1.9261915 0.0949747 -0.1129412 0.2875107 -2.9511692 0.1015063 -0.1488992 -0.1785196 -2.8961181 4 O -1.9261915 0.0949747 0.1129412 0.2875107 -2.9511692 -0.1015063 0.1488992 0.1785196 -2.8961181 5 O -2.7293096 0.9126098 0.4312387 0.8492962 -2.3259079 0.0800936 0.2557206 0.2106485 -2.1600734 6 O -2.7293096 0.9126098 -0.4312387 0.8492962 -2.3259079 -0.0800936 -0.2557206 -0.2106485 -2.1600734 7 O -2.1744749 0.0000000 0.0000000 0.0000000 -2.2565064 1.0113385 0.0000000 1.0428210 -2.7875082 8 O -2.1744749 0.0000000 0.0000000 0.0000000 -2.2565064 -1.0113385 0.0000000 -1.0428210 -2.7875082 9 O -2.7293096 -0.9126098 -0.4312387 -0.8492962 -2.3259079 0.0800936 -0.2557206 0.2106485 -2.1600734 10 O -2.7293096 -0.9126098 0.4312387 -0.8492962 -2.3259079 -0.0800936 0.2557206 -0.2106485 -2.1600734 11 Si 4.6878846 0.0000000 0.0000000 0.0000000 3.2667299 0.3531066 0.0000000 0.3479900 3.2637239 12 Si 4.6878846 0.0000000 0.0000000 0.0000000 3.2667299 -0.3531066 0.0000000 -0.3479900 3.2637239 13 Bi 3.3987962 0.5608778 -0.2706549 0.4931879 4.7719654 0.0509119 -0.1028694 0.2650305 4.8180836 14 Bi 3.3987962 0.5608778 0.2706549 0.4931879 4.7719654 -0.0509119 0.1028694 -0.2650305 4.8180836 15 Bi 3.3987962 -0.5608778 -0.2706549 -0.4931879 4.7719654 -0.0509119 -0.1028694 -0.2650305 4.8180836 16 Bi 3.3987962 -0.5608778 0.2706549 -0.4931879 4.7719654 0.0509119 0.1028694 0.2650305 4.8180836 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 11568/11568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2368 Number of blocks in projector: 2368 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 240 eigenvectors found. (2) Block: 544 / 544 (2) 284 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 534 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2368, 2331), data: False |-- (288, 283), data: True |-- (288, 283), data: True |-- (288, 283), data: True |-- (480, 474), data: True |-- (480, 474), data: True |-- (544, 534), data: False |-- (544, 534), data: False |-- (544, 10), data: (544, 20) @ (20, 10) |-- (294, 284), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 0.857 Solver_block: 200 / 480 - Time: 0.768 Solver_block: 300 / 480 - Time: 0.770 Solver_block: 400 / 480 - Time: 0.771 Solver_block: 480 / 480 - Time: 0.636 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.910 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 11568/11568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2368 Number of blocks in projector: 2368 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 240 eigenvectors found. (2) Block: 544 / 544 (2) 284 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 534 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2368, 2331), data: False |-- (288, 283), data: True |-- (288, 283), data: True |-- (288, 283), data: True |-- (480, 474), data: True |-- (480, 474), data: True |-- (544, 534), data: False |-- (544, 534), data: False |-- (544, 10), data: (544, 20) @ (20, 10) |-- (294, 284), data: True |-- (250, 240), data: True Max 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 2026-01-08 06:50:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:50:02]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.577470530000000 -2.739112200000000 0.000000000000000 b 7.577470530000000 2.739112200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.319110650000000 Atomic positions (fractional): 1 O 0.24387970872280 0.25885054587538 0.51468303276575 15.999 2 O 0.75612029127720 0.74114945412462 0.01468303276575 15.999 3 O 0.25885054587538 0.24387970872280 0.01468303276575 15.999 4 O 0.74114945412462 0.75612029127720 0.51468303276575 15.999 5 O 0.08131481930024 0.73417160846423 0.32410550179703 15.999 6 O 0.91868518069976 0.26582839153577 0.82410550179703 15.999 7 O 0.53160536330558 0.46839463669442 0.52646226164499 15.999 8 O 0.46839463669442 0.53160536330558 0.02646226164499 15.999 9 O 0.26582839153577 0.91868518069976 0.32410550179703 15.999 10 O 0.73417160846423 0.08131481930024 0.82410550179703 15.999 11 Si 0.32057835629105 0.67942164370895 0.29933085093403 28.085 12 Si 0.67942164370895 0.32057835629105 0.79933085093403 28.085 13 Bi 0.05684452388971 0.61279930693594 0.74731487914772 208.980 14 Bi 0.94315547611029 0.38720069306406 0.24731487914772 208.980 15 Bi 0.61279930693594 0.05684452388971 0.24731487914772 208.980 16 Bi 0.38720069306406 0.94315547611029 0.74731487914772 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.154941060000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.956448799999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.638221300000000 Atomic positions (fractional): 1 O 0.25136512729909 0.00374270928814 0.25734151638287 15.999 > 1 2 O 0.25136512729909 0.50374270928814 0.25734151638287 15.999 > 1 3 O 0.25136512729909 0.00374270928814 0.75734151638287 15.999 > 1 4 O 0.25136512729909 0.50374270928814 0.75734151638287 15.999 > 1 5 O 0.24863487270091 0.24625729071186 0.00734151638287 15.999 > 5 6 O 0.24863487270091 0.74625729071186 0.00734151638287 15.999 > 5 7 O 0.24863487270091 0.24625729071186 0.50734151638287 15.999 > 5 8 O 0.24863487270091 0.74625729071186 0.50734151638287 15.999 > 5 9 O 0.25136512729909 0.49625729071186 0.00734151638287 15.999 > 9 10 O 0.25136512729909 0.99625729071186 0.00734151638287 15.999 > 9 11 O 0.25136512729909 0.49625729071186 0.50734151638287 15.999 > 9 12 O 0.25136512729909 0.99625729071186 0.50734151638287 15.999 > 9 13 O 0.24863487270091 0.25374270928814 0.25734151638287 15.999 > 13 14 O 0.24863487270091 0.75374270928814 0.25734151638287 15.999 > 13 15 O 0.24863487270091 0.25374270928814 0.75734151638287 15.999 > 13 16 O 0.24863487270091 0.75374270928814 0.75734151638287 15.999 > 13 17 O 0.40774321388224 0.16321419729100 0.16205275089851 15.999 > 17 18 O 0.40774321388224 0.66321419729100 0.16205275089851 15.999 > 17 19 O 0.40774321388224 0.16321419729100 0.66205275089851 15.999 > 17 20 O 0.40774321388224 0.66321419729100 0.66205275089851 15.999 > 17 21 O 0.09225678611776 0.08678580270900 0.41205275089851 15.999 > 21 22 O 0.09225678611776 0.58678580270900 0.41205275089851 15.999 > 21 23 O 0.09225678611776 0.08678580270900 0.91205275089851 15.999 > 21 24 O 0.09225678611776 0.58678580270900 0.91205275089851 15.999 > 21 25 O 0.00000000000000 0.23419731834721 0.26323113082249 15.999 > 25 26 O 0.00000000000000 0.73419731834721 0.26323113082249 15.999 > 25 27 O 0.00000000000000 0.23419731834721 0.76323113082249 15.999 > 25 28 O 0.00000000000000 0.73419731834721 0.76323113082249 15.999 > 25 29 O 0.00000000000000 0.26580268165279 0.01323113082249 15.999 > 29 30 O 0.00000000000000 0.76580268165279 0.01323113082249 15.999 > 29 31 O 0.00000000000000 0.26580268165279 0.51323113082249 15.999 > 29 32 O 0.00000000000000 0.76580268165279 0.51323113082249 15.999 > 29 33 O 0.09225678611776 0.41321419729100 0.16205275089851 15.999 > 33 34 O 0.09225678611776 0.91321419729100 0.16205275089851 15.999 > 33 35 O 0.09225678611776 0.41321419729100 0.66205275089851 15.999 > 33 36 O 0.09225678611776 0.91321419729100 0.66205275089851 15.999 > 33 37 O 0.40774321388224 0.33678580270900 0.41205275089851 15.999 > 37 38 O 0.40774321388224 0.83678580270900 0.41205275089851 15.999 > 37 39 O 0.40774321388224 0.33678580270900 0.91205275089851 15.999 > 37 40 O 0.40774321388224 0.83678580270900 0.91205275089851 15.999 > 37 41 O 0.75136512729909 0.25374270928814 0.25734151638287 15.999 > 1 42 O 0.75136512729909 0.75374270928814 0.25734151638287 15.999 > 1 43 O 0.75136512729909 0.25374270928814 0.75734151638287 15.999 > 1 44 O 0.75136512729909 0.75374270928814 0.75734151638287 15.999 > 1 45 O 0.74863487270091 0.49625729071186 0.00734151638287 15.999 > 5 46 O 0.74863487270091 0.99625729071186 0.00734151638287 15.999 > 5 47 O 0.74863487270091 0.49625729071186 0.50734151638287 15.999 > 5 48 O 0.74863487270091 0.99625729071186 0.50734151638287 15.999 > 5 49 O 0.75136512729909 0.24625729071186 0.00734151638287 15.999 > 9 50 O 0.75136512729909 0.74625729071186 0.00734151638287 15.999 > 9 51 O 0.75136512729909 0.24625729071186 0.50734151638287 15.999 > 9 52 O 0.75136512729909 0.74625729071186 0.50734151638287 15.999 > 9 53 O 0.74863487270091 0.00374270928814 0.25734151638287 15.999 > 13 54 O 0.74863487270091 0.50374270928814 0.25734151638287 15.999 > 13 55 O 0.74863487270091 0.00374270928814 0.75734151638287 15.999 > 13 56 O 0.74863487270091 0.50374270928814 0.75734151638287 15.999 > 13 57 O 0.90774321388224 0.41321419729100 0.16205275089851 15.999 > 17 58 O 0.90774321388224 0.91321419729100 0.16205275089851 15.999 > 17 59 O 0.90774321388224 0.41321419729100 0.66205275089851 15.999 > 17 60 O 0.90774321388224 0.91321419729100 0.66205275089851 15.999 > 17 61 O 0.59225678611776 0.33678580270900 0.41205275089851 15.999 > 21 62 O 0.59225678611776 0.83678580270900 0.41205275089851 15.999 > 21 63 O 0.59225678611776 0.33678580270900 0.91205275089851 15.999 > 21 64 O 0.59225678611776 0.83678580270900 0.91205275089851 15.999 > 21 65 O 0.50000000000000 0.48419731834721 0.26323113082249 15.999 > 25 66 O 0.50000000000000 0.98419731834721 0.26323113082249 15.999 > 25 67 O 0.50000000000000 0.48419731834721 0.76323113082249 15.999 > 25 68 O 0.50000000000000 0.98419731834721 0.76323113082249 15.999 > 25 69 O 0.50000000000000 0.01580268165279 0.01323113082249 15.999 > 29 70 O 0.50000000000000 0.51580268165279 0.01323113082249 15.999 > 29 71 O 0.50000000000000 0.01580268165279 0.51323113082249 15.999 > 29 72 O 0.50000000000000 0.51580268165279 0.51323113082249 15.999 > 29 73 O 0.59225678611776 0.16321419729100 0.16205275089851 15.999 > 33 74 O 0.59225678611776 0.66321419729100 0.16205275089851 15.999 > 33 75 O 0.59225678611776 0.16321419729100 0.66205275089851 15.999 > 33 76 O 0.59225678611776 0.66321419729100 0.66205275089851 15.999 > 33 77 O 0.90774321388224 0.08678580270900 0.41205275089851 15.999 > 37 78 O 0.90774321388224 0.58678580270900 0.41205275089851 15.999 > 37 79 O 0.90774321388224 0.08678580270900 0.91205275089851 15.999 > 37 80 O 0.90774321388224 0.58678580270900 0.91205275089851 15.999 > 37 81 Si 0.00000000000000 0.33971082185448 0.14966542546702 28.085 > 81 82 Si 0.00000000000000 0.83971082185448 0.14966542546702 28.085 > 81 83 Si 0.00000000000000 0.33971082185448 0.64966542546702 28.085 > 81 84 Si 0.00000000000000 0.83971082185448 0.64966542546702 28.085 > 81 85 Si 0.00000000000000 0.16028917814552 0.39966542546702 28.085 > 85 86 Si 0.00000000000000 0.66028917814552 0.39966542546702 28.085 > 85 87 Si 0.00000000000000 0.16028917814552 0.89966542546702 28.085 > 85 88 Si 0.00000000000000 0.66028917814552 0.89966542546702 28.085 > 85 89 Si 0.50000000000000 0.08971082185448 0.14966542546702 28.085 > 81 90 Si 0.50000000000000 0.58971082185448 0.14966542546702 28.085 > 81 91 Si 0.50000000000000 0.08971082185448 0.64966542546702 28.085 > 81 92 Si 0.50000000000000 0.58971082185448 0.64966542546702 28.085 > 81 93 Si 0.50000000000000 0.41028917814552 0.39966542546702 28.085 > 85 94 Si 0.50000000000000 0.91028917814552 0.39966542546702 28.085 > 85 95 Si 0.50000000000000 0.41028917814552 0.89966542546702 28.085 > 85 96 Si 0.50000000000000 0.91028917814552 0.89966542546702 28.085 > 85 97 Bi 0.33482191541283 0.13898869576156 0.37365743957386 208.980 > 97 98 Bi 0.33482191541283 0.63898869576156 0.37365743957386 208.980 > 97 99 Bi 0.33482191541283 0.13898869576156 0.87365743957386 208.980 > 97 100 Bi 0.33482191541283 0.63898869576156 0.87365743957386 208.980 > 97 101 Bi 0.16517808458717 0.11101130423844 0.12365743957386 208.980 > 101 102 Bi 0.16517808458717 0.61101130423844 0.12365743957386 208.980 > 101 103 Bi 0.16517808458717 0.11101130423844 0.62365743957386 208.980 > 101 104 Bi 0.16517808458717 0.61101130423844 0.62365743957386 208.980 > 101 105 Bi 0.33482191541283 0.36101130423844 0.12365743957386 208.980 > 105 106 Bi 0.33482191541283 0.86101130423844 0.12365743957386 208.980 > 105 107 Bi 0.33482191541283 0.36101130423844 0.62365743957386 208.980 > 105 108 Bi 0.33482191541283 0.86101130423844 0.62365743957386 208.980 > 105 109 Bi 0.16517808458717 0.38898869576156 0.37365743957386 208.980 > 109 110 Bi 0.16517808458717 0.88898869576156 0.37365743957386 208.980 > 109 111 Bi 0.16517808458717 0.38898869576156 0.87365743957386 208.980 > 109 112 Bi 0.16517808458717 0.88898869576156 0.87365743957386 208.980 > 109 113 Bi 0.83482191541283 0.38898869576156 0.37365743957386 208.980 > 97 114 Bi 0.83482191541283 0.88898869576156 0.37365743957386 208.980 > 97 115 Bi 0.83482191541283 0.38898869576156 0.87365743957386 208.980 > 97 116 Bi 0.83482191541283 0.88898869576156 0.87365743957386 208.980 > 97 117 Bi 0.66517808458717 0.36101130423844 0.12365743957386 208.980 > 101 118 Bi 0.66517808458717 0.86101130423844 0.12365743957386 208.980 > 101 119 Bi 0.66517808458717 0.36101130423844 0.62365743957386 208.980 > 101 120 Bi 0.66517808458717 0.86101130423844 0.62365743957386 208.980 > 101 121 Bi 0.83482191541283 0.11101130423844 0.12365743957386 208.980 > 105 122 Bi 0.83482191541283 0.61101130423844 0.12365743957386 208.980 > 105 123 Bi 0.83482191541283 0.11101130423844 0.62365743957386 208.980 > 105 124 Bi 0.83482191541283 0.61101130423844 0.62365743957386 208.980 > 105 125 Bi 0.66517808458717 0.13898869576156 0.37365743957386 208.980 > 109 126 Bi 0.66517808458717 0.63898869576156 0.37365743957386 208.980 > 109 127 Bi 0.66517808458717 0.13898869576156 0.87365743957386 208.980 > 109 128 Bi 0.66517808458717 0.63898869576156 0.87365743957386 208.980 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5605716 0.0000000 0.0000000 0.0000000 5.2147238 0.0000000 0.0000000 0.0000000 5.2585544 -------------------------- Born effective charges -------------------------- 1 O -1.9261915 -0.0949747 -0.1129412 -0.2875107 -2.9511692 -0.1015063 -0.1488992 0.1785196 -2.8961181 2 O -1.9261915 -0.0949747 0.1129412 -0.2875107 -2.9511692 0.1015063 0.1488992 -0.1785196 -2.8961181 3 O -1.9261915 0.0949747 -0.1129412 0.2875107 -2.9511692 0.1015063 -0.1488992 -0.1785196 -2.8961181 4 O -1.9261915 0.0949747 0.1129412 0.2875107 -2.9511692 -0.1015063 0.1488992 0.1785196 -2.8961181 5 O -2.7293096 0.9126098 0.4312387 0.8492962 -2.3259079 0.0800936 0.2557206 0.2106485 -2.1600734 6 O -2.7293096 0.9126098 -0.4312387 0.8492962 -2.3259079 -0.0800936 -0.2557206 -0.2106485 -2.1600734 7 O -2.1744749 0.0000000 0.0000000 0.0000000 -2.2565064 1.0113385 0.0000000 1.0428210 -2.7875082 8 O -2.1744749 0.0000000 0.0000000 0.0000000 -2.2565064 -1.0113385 0.0000000 -1.0428210 -2.7875082 9 O -2.7293096 -0.9126098 -0.4312387 -0.8492962 -2.3259079 0.0800936 -0.2557206 0.2106485 -2.1600734 10 O -2.7293096 -0.9126098 0.4312387 -0.8492962 -2.3259079 -0.0800936 0.2557206 -0.2106485 -2.1600734 11 Si 4.6878846 0.0000000 0.0000000 0.0000000 3.2667299 0.3531066 0.0000000 0.3479900 3.2637239 12 Si 4.6878846 0.0000000 0.0000000 0.0000000 3.2667299 -0.3531066 0.0000000 -0.3479900 3.2637239 13 Bi 3.3987962 0.5608778 -0.2706549 0.4931879 4.7719654 0.0509119 -0.1028694 0.2650305 4.8180836 14 Bi 3.3987962 0.5608778 0.2706549 0.4931879 4.7719654 -0.0509119 0.1028694 -0.2650305 4.8180836 15 Bi 3.3987962 -0.5608778 -0.2706549 -0.4931879 4.7719654 -0.0509119 -0.1028694 -0.2650305 4.8180836 16 Bi 3.3987962 -0.5608778 0.2706549 -0.4931879 4.7719654 0.0509119 0.1028694 0.2650305 4.8180836 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000016 (yyy) 0.00000016 (yyy) 0.00000016 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yz) 0.00000001 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:50:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:50:27]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.577470530000000 -2.739112200000000 0.000000000000000 b 7.577470530000000 2.739112200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.319110650000000 Atomic positions (fractional): 1 O 0.24387970872280 0.25885054587538 0.51468303276575 15.999 2 O 0.75612029127720 0.74114945412462 0.01468303276575 15.999 3 O 0.25885054587538 0.24387970872280 0.01468303276575 15.999 4 O 0.74114945412462 0.75612029127720 0.51468303276575 15.999 5 O 0.08131481930024 0.73417160846423 0.32410550179703 15.999 6 O 0.91868518069976 0.26582839153577 0.82410550179703 15.999 7 O 0.53160536330558 0.46839463669442 0.52646226164499 15.999 8 O 0.46839463669442 0.53160536330558 0.02646226164499 15.999 9 O 0.26582839153577 0.91868518069976 0.32410550179703 15.999 10 O 0.73417160846423 0.08131481930024 0.82410550179703 15.999 11 Si 0.32057835629105 0.67942164370895 0.29933085093403 28.085 12 Si 0.67942164370895 0.32057835629105 0.79933085093403 28.085 13 Bi 0.05684452388971 0.61279930693594 0.74731487914772 208.980 14 Bi 0.94315547611029 0.38720069306406 0.24731487914772 208.980 15 Bi 0.61279930693594 0.05684452388971 0.24731487914772 208.980 16 Bi 0.38720069306406 0.94315547611029 0.74731487914772 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.154941060000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.956448799999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.638221300000000 Atomic positions (fractional): 1 O 0.25136512729909 0.00374270928814 0.25734151638287 15.999 > 1 2 O 0.25136512729909 0.50374270928814 0.25734151638287 15.999 > 1 3 O 0.25136512729909 0.00374270928814 0.75734151638287 15.999 > 1 4 O 0.25136512729909 0.50374270928814 0.75734151638287 15.999 > 1 5 O 0.24863487270091 0.24625729071186 0.00734151638287 15.999 > 5 6 O 0.24863487270091 0.74625729071186 0.00734151638287 15.999 > 5 7 O 0.24863487270091 0.24625729071186 0.50734151638287 15.999 > 5 8 O 0.24863487270091 0.74625729071186 0.50734151638287 15.999 > 5 9 O 0.25136512729909 0.49625729071186 0.00734151638287 15.999 > 9 10 O 0.25136512729909 0.99625729071186 0.00734151638287 15.999 > 9 11 O 0.25136512729909 0.49625729071186 0.50734151638287 15.999 > 9 12 O 0.25136512729909 0.99625729071186 0.50734151638287 15.999 > 9 13 O 0.24863487270091 0.25374270928814 0.25734151638287 15.999 > 13 14 O 0.24863487270091 0.75374270928814 0.25734151638287 15.999 > 13 15 O 0.24863487270091 0.25374270928814 0.75734151638287 15.999 > 13 16 O 0.24863487270091 0.75374270928814 0.75734151638287 15.999 > 13 17 O 0.40774321388224 0.16321419729100 0.16205275089851 15.999 > 17 18 O 0.40774321388224 0.66321419729100 0.16205275089851 15.999 > 17 19 O 0.40774321388224 0.16321419729100 0.66205275089851 15.999 > 17 20 O 0.40774321388224 0.66321419729100 0.66205275089851 15.999 > 17 21 O 0.09225678611776 0.08678580270900 0.41205275089851 15.999 > 21 22 O 0.09225678611776 0.58678580270900 0.41205275089851 15.999 > 21 23 O 0.09225678611776 0.08678580270900 0.91205275089851 15.999 > 21 24 O 0.09225678611776 0.58678580270900 0.91205275089851 15.999 > 21 25 O 0.00000000000000 0.23419731834721 0.26323113082249 15.999 > 25 26 O 0.00000000000000 0.73419731834721 0.26323113082249 15.999 > 25 27 O 0.00000000000000 0.23419731834721 0.76323113082249 15.999 > 25 28 O 0.00000000000000 0.73419731834721 0.76323113082249 15.999 > 25 29 O 0.00000000000000 0.26580268165279 0.01323113082249 15.999 > 29 30 O 0.00000000000000 0.76580268165279 0.01323113082249 15.999 > 29 31 O 0.00000000000000 0.26580268165279 0.51323113082249 15.999 > 29 32 O 0.00000000000000 0.76580268165279 0.51323113082249 15.999 > 29 33 O 0.09225678611776 0.41321419729100 0.16205275089851 15.999 > 33 34 O 0.09225678611776 0.91321419729100 0.16205275089851 15.999 > 33 35 O 0.09225678611776 0.41321419729100 0.66205275089851 15.999 > 33 36 O 0.09225678611776 0.91321419729100 0.66205275089851 15.999 > 33 37 O 0.40774321388224 0.33678580270900 0.41205275089851 15.999 > 37 38 O 0.40774321388224 0.83678580270900 0.41205275089851 15.999 > 37 39 O 0.40774321388224 0.33678580270900 0.91205275089851 15.999 > 37 40 O 0.40774321388224 0.83678580270900 0.91205275089851 15.999 > 37 41 O 0.75136512729909 0.25374270928814 0.25734151638287 15.999 > 1 42 O 0.75136512729909 0.75374270928814 0.25734151638287 15.999 > 1 43 O 0.75136512729909 0.25374270928814 0.75734151638287 15.999 > 1 44 O 0.75136512729909 0.75374270928814 0.75734151638287 15.999 > 1 45 O 0.74863487270091 0.49625729071186 0.00734151638287 15.999 > 5 46 O 0.74863487270091 0.99625729071186 0.00734151638287 15.999 > 5 47 O 0.74863487270091 0.49625729071186 0.50734151638287 15.999 > 5 48 O 0.74863487270091 0.99625729071186 0.50734151638287 15.999 > 5 49 O 0.75136512729909 0.24625729071186 0.00734151638287 15.999 > 9 50 O 0.75136512729909 0.74625729071186 0.00734151638287 15.999 > 9 51 O 0.75136512729909 0.24625729071186 0.50734151638287 15.999 > 9 52 O 0.75136512729909 0.74625729071186 0.50734151638287 15.999 > 9 53 O 0.74863487270091 0.00374270928814 0.25734151638287 15.999 > 13 54 O 0.74863487270091 0.50374270928814 0.25734151638287 15.999 > 13 55 O 0.74863487270091 0.00374270928814 0.75734151638287 15.999 > 13 56 O 0.74863487270091 0.50374270928814 0.75734151638287 15.999 > 13 57 O 0.90774321388224 0.41321419729100 0.16205275089851 15.999 > 17 58 O 0.90774321388224 0.91321419729100 0.16205275089851 15.999 > 17 59 O 0.90774321388224 0.41321419729100 0.66205275089851 15.999 > 17 60 O 0.90774321388224 0.91321419729100 0.66205275089851 15.999 > 17 61 O 0.59225678611776 0.33678580270900 0.41205275089851 15.999 > 21 62 O 0.59225678611776 0.83678580270900 0.41205275089851 15.999 > 21 63 O 0.59225678611776 0.33678580270900 0.91205275089851 15.999 > 21 64 O 0.59225678611776 0.83678580270900 0.91205275089851 15.999 > 21 65 O 0.50000000000000 0.48419731834721 0.26323113082249 15.999 > 25 66 O 0.50000000000000 0.98419731834721 0.26323113082249 15.999 > 25 67 O 0.50000000000000 0.48419731834721 0.76323113082249 15.999 > 25 68 O 0.50000000000000 0.98419731834721 0.76323113082249 15.999 > 25 69 O 0.50000000000000 0.01580268165279 0.01323113082249 15.999 > 29 70 O 0.50000000000000 0.51580268165279 0.01323113082249 15.999 > 29 71 O 0.50000000000000 0.01580268165279 0.51323113082249 15.999 > 29 72 O 0.50000000000000 0.51580268165279 0.51323113082249 15.999 > 29 73 O 0.59225678611776 0.16321419729100 0.16205275089851 15.999 > 33 74 O 0.59225678611776 0.66321419729100 0.16205275089851 15.999 > 33 75 O 0.59225678611776 0.16321419729100 0.66205275089851 15.999 > 33 76 O 0.59225678611776 0.66321419729100 0.66205275089851 15.999 > 33 77 O 0.90774321388224 0.08678580270900 0.41205275089851 15.999 > 37 78 O 0.90774321388224 0.58678580270900 0.41205275089851 15.999 > 37 79 O 0.90774321388224 0.08678580270900 0.91205275089851 15.999 > 37 80 O 0.90774321388224 0.58678580270900 0.91205275089851 15.999 > 37 81 Si 0.00000000000000 0.33971082185448 0.14966542546702 28.085 > 81 82 Si 0.00000000000000 0.83971082185448 0.14966542546702 28.085 > 81 83 Si 0.00000000000000 0.33971082185448 0.64966542546702 28.085 > 81 84 Si 0.00000000000000 0.83971082185448 0.64966542546702 28.085 > 81 85 Si 0.00000000000000 0.16028917814552 0.39966542546702 28.085 > 85 86 Si 0.00000000000000 0.66028917814552 0.39966542546702 28.085 > 85 87 Si 0.00000000000000 0.16028917814552 0.89966542546702 28.085 > 85 88 Si 0.00000000000000 0.66028917814552 0.89966542546702 28.085 > 85 89 Si 0.50000000000000 0.08971082185448 0.14966542546702 28.085 > 81 90 Si 0.50000000000000 0.58971082185448 0.14966542546702 28.085 > 81 91 Si 0.50000000000000 0.08971082185448 0.64966542546702 28.085 > 81 92 Si 0.50000000000000 0.58971082185448 0.64966542546702 28.085 > 81 93 Si 0.50000000000000 0.41028917814552 0.39966542546702 28.085 > 85 94 Si 0.50000000000000 0.91028917814552 0.39966542546702 28.085 > 85 95 Si 0.50000000000000 0.41028917814552 0.89966542546702 28.085 > 85 96 Si 0.50000000000000 0.91028917814552 0.89966542546702 28.085 > 85 97 Bi 0.33482191541283 0.13898869576156 0.37365743957386 208.980 > 97 98 Bi 0.33482191541283 0.63898869576156 0.37365743957386 208.980 > 97 99 Bi 0.33482191541283 0.13898869576156 0.87365743957386 208.980 > 97 100 Bi 0.33482191541283 0.63898869576156 0.87365743957386 208.980 > 97 101 Bi 0.16517808458717 0.11101130423844 0.12365743957386 208.980 > 101 102 Bi 0.16517808458717 0.61101130423844 0.12365743957386 208.980 > 101 103 Bi 0.16517808458717 0.11101130423844 0.62365743957386 208.980 > 101 104 Bi 0.16517808458717 0.61101130423844 0.62365743957386 208.980 > 101 105 Bi 0.33482191541283 0.36101130423844 0.12365743957386 208.980 > 105 106 Bi 0.33482191541283 0.86101130423844 0.12365743957386 208.980 > 105 107 Bi 0.33482191541283 0.36101130423844 0.62365743957386 208.980 > 105 108 Bi 0.33482191541283 0.86101130423844 0.62365743957386 208.980 > 105 109 Bi 0.16517808458717 0.38898869576156 0.37365743957386 208.980 > 109 110 Bi 0.16517808458717 0.88898869576156 0.37365743957386 208.980 > 109 111 Bi 0.16517808458717 0.38898869576156 0.87365743957386 208.980 > 109 112 Bi 0.16517808458717 0.88898869576156 0.87365743957386 208.980 > 109 113 Bi 0.83482191541283 0.38898869576156 0.37365743957386 208.980 > 97 114 Bi 0.83482191541283 0.88898869576156 0.37365743957386 208.980 > 97 115 Bi 0.83482191541283 0.38898869576156 0.87365743957386 208.980 > 97 116 Bi 0.83482191541283 0.88898869576156 0.87365743957386 208.980 > 97 117 Bi 0.66517808458717 0.36101130423844 0.12365743957386 208.980 > 101 118 Bi 0.66517808458717 0.86101130423844 0.12365743957386 208.980 > 101 119 Bi 0.66517808458717 0.36101130423844 0.62365743957386 208.980 > 101 120 Bi 0.66517808458717 0.86101130423844 0.62365743957386 208.980 > 101 121 Bi 0.83482191541283 0.11101130423844 0.12365743957386 208.980 > 105 122 Bi 0.83482191541283 0.61101130423844 0.12365743957386 208.980 > 105 123 Bi 0.83482191541283 0.11101130423844 0.62365743957386 208.980 > 105 124 Bi 0.83482191541283 0.61101130423844 0.62365743957386 208.980 > 105 125 Bi 0.66517808458717 0.13898869576156 0.37365743957386 208.980 > 109 126 Bi 0.66517808458717 0.63898869576156 0.37365743957386 208.980 > 109 127 Bi 0.66517808458717 0.13898869576156 0.87365743957386 208.980 > 109 128 Bi 0.66517808458717 0.63898869576156 0.87365743957386 208.980 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5605716 0.0000000 0.0000000 0.0000000 5.2147238 0.0000000 0.0000000 0.0000000 5.2585544 -------------------------- Born effective charges -------------------------- 1 O -1.9261915 -0.0949747 -0.1129412 -0.2875107 -2.9511692 -0.1015063 -0.1488992 0.1785196 -2.8961181 2 O -1.9261915 -0.0949747 0.1129412 -0.2875107 -2.9511692 0.1015063 0.1488992 -0.1785196 -2.8961181 3 O -1.9261915 0.0949747 -0.1129412 0.2875107 -2.9511692 0.1015063 -0.1488992 -0.1785196 -2.8961181 4 O -1.9261915 0.0949747 0.1129412 0.2875107 -2.9511692 -0.1015063 0.1488992 0.1785196 -2.8961181 5 O -2.7293096 0.9126098 0.4312387 0.8492962 -2.3259079 0.0800936 0.2557206 0.2106485 -2.1600734 6 O -2.7293096 0.9126098 -0.4312387 0.8492962 -2.3259079 -0.0800936 -0.2557206 -0.2106485 -2.1600734 7 O -2.1744749 0.0000000 0.0000000 0.0000000 -2.2565064 1.0113385 0.0000000 1.0428210 -2.7875082 8 O -2.1744749 0.0000000 0.0000000 0.0000000 -2.2565064 -1.0113385 0.0000000 -1.0428210 -2.7875082 9 O -2.7293096 -0.9126098 -0.4312387 -0.8492962 -2.3259079 0.0800936 -0.2557206 0.2106485 -2.1600734 10 O -2.7293096 -0.9126098 0.4312387 -0.8492962 -2.3259079 -0.0800936 0.2557206 -0.2106485 -2.1600734 11 Si 4.6878846 0.0000000 0.0000000 0.0000000 3.2667299 0.3531066 0.0000000 0.3479900 3.2637239 12 Si 4.6878846 0.0000000 0.0000000 0.0000000 3.2667299 -0.3531066 0.0000000 -0.3479900 3.2637239 13 Bi 3.3987962 0.5608778 -0.2706549 0.4931879 4.7719654 0.0509119 -0.1028694 0.2650305 4.8180836 14 Bi 3.3987962 0.5608778 0.2706549 0.4931879 4.7719654 -0.0509119 0.1028694 -0.2650305 4.8180836 15 Bi 3.3987962 -0.5608778 -0.2706549 -0.4931879 4.7719654 -0.0509119 -0.1028694 -0.2650305 4.8180836 16 Bi 3.3987962 -0.5608778 0.2706549 -0.4931879 4.7719654 0.0509119 0.1028694 0.2650305 4.8180836 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000016 (yyy) 0.00000016 (yyy) 0.00000016 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 9 ] 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: 0.69, Number of G-points: 315, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/155) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.929 ( 0.000 0.000 0.000) 0.000 2.289 ( 0.000 0.000 0.000) 0.000 2.347 ( 0.000 0.000 0.000) 0.000 2.350 ( 0.000 0.000 0.000) 0.000 2.753 ( 0.000 0.000 0.000) 0.000 2.978 ( 0.000 0.000 0.000) 0.000 3.241 ( 0.000 0.000 0.000) 0.000 3.461 ( 0.000 0.000 0.000) 0.000 3.691 ( 0.000 0.000 0.000) 0.000 3.816 ( 0.000 0.000 0.000) 0.000 4.165 ( 0.000 0.000 0.000) 0.000 4.490 ( 0.000 0.000 0.000) 0.000 4.717 ( 0.000 0.000 0.000) 0.000 4.934 ( 0.000 0.000 0.000) 0.000 5.007 ( 0.000 0.000 0.000) 0.000 5.160 ( 0.000 0.000 0.000) 0.000 7.105 ( 0.000 0.000 0.000) 0.000 7.976 ( 0.000 0.000 0.000) 0.000 8.175 ( 0.000 0.000 0.000) 0.000 8.473 ( 0.000 0.000 0.000) 0.000 8.577 ( 0.000 0.000 0.000) 0.000 9.065 ( 0.000 0.000 0.000) 0.000 9.645 ( 0.000 0.000 0.000) 0.000 10.298 ( 0.000 0.000 0.000) 0.000 10.446 ( 0.000 0.000 0.000) 0.000 10.945 ( 0.000 0.000 0.000) 0.000 11.419 ( 0.000 0.000 0.000) 0.000 11.847 ( 0.000 0.000 0.000) 0.000 12.393 ( 0.000 0.000 0.000) 0.000 12.643 ( 0.000 0.000 0.000) 0.000 12.983 ( 0.000 0.000 0.000) 0.000 13.030 ( 0.000 0.000 0.000) 0.000 13.942 ( 0.000 0.000 0.000) 0.000 14.455 ( 0.000 0.000 0.000) 0.000 15.674 ( 0.000 0.000 0.000) 0.000 15.841 ( 0.000 0.000 0.000) 0.000 16.718 ( 0.000 0.000 0.000) 0.000 16.728 ( 0.000 0.000 0.000) 0.000 19.675 ( 0.000 0.000 0.000) 0.000 25.249 ( 0.000 0.000 0.000) 0.000 27.307 ( 0.000 0.000 0.000) 0.000 28.087 ( 0.000 0.000 0.000) 0.000 28.455 ( 0.000 0.000 0.000) 0.000 29.095 ( 0.000 0.000 0.000) 0.000 30.364 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/155) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 9.561 -19.771 0.000) 21.962 0.522 ( 6.257 -24.802 0.000) 25.579 0.836 ( 10.017 -39.111 0.000) 40.373 2.004 ( 0.765 -7.143 0.000) 7.184 2.370 ( -0.087 -3.243 0.000) 3.244 2.383 ( 1.505 -1.794 0.000) 2.342 2.746 ( -11.154 0.797 0.000) 11.182 2.750 ( -0.887 1.351 0.000) 1.617 3.014 ( -5.152 -4.188 0.000) 6.640 3.130 ( 6.579 9.428 0.000) 11.497 3.621 ( 11.376 -1.575 0.000) 11.485 3.701 ( -1.597 -3.263 0.000) 3.633 3.901 ( 1.949 -7.565 0.000) 7.812 4.286 ( -8.905 12.160 0.000) 15.071 4.684 ( -3.049 3.427 0.000) 4.587 4.887 ( 0.050 4.305 0.000) 4.305 5.016 ( -7.087 7.552 0.000) 10.357 5.048 ( 1.359 0.261 0.000) 1.384 5.299 ( 19.189 0.536 0.000) 19.196 7.260 ( -3.173 -17.057 0.000) 17.349 7.988 ( -1.158 -0.099 0.000) 1.162 8.143 ( 0.875 5.021 0.000) 5.096 8.444 ( -1.060 0.783 0.000) 1.318 8.647 ( 2.636 -5.043 0.000) 5.691 9.754 ( -0.639 -11.025 0.000) 11.043 10.060 ( 1.821 16.382 0.000) 16.483 10.609 ( 0.092 -10.519 0.000) 10.519 10.932 ( -2.097 0.308 0.000) 2.120 11.208 ( -40.440 -19.071 0.000) 44.711 11.582 ( -4.769 -16.525 0.000) 17.199 11.853 ( 4.806 -0.441 0.000) 4.826 12.603 ( -11.153 -4.642 0.000) 12.080 12.642 ( -0.545 -0.650 0.000) 0.849 12.979 ( 8.559 4.426 0.000) 9.636 13.888 ( -5.444 2.243 0.000) 5.888 14.462 ( -2.137 -1.594 0.000) 2.666 14.719 ( -58.431 -22.156 0.000) 62.491 15.609 ( -1.439 6.307 0.000) 6.469 16.036 ( 55.597 31.901 0.000) 64.100 16.737 ( -1.302 -2.527 0.000) 2.843 16.813 ( 5.617 0.126 0.000) 5.618 19.699 ( -0.870 0.712 0.000) 1.124 26.163 ( -46.671 -11.200 0.000) 47.996 27.322 ( -0.198 -1.718 0.000) 1.729 28.090 ( -0.022 -0.288 0.000) 0.289 28.446 ( 0.121 0.945 0.000) 0.953 29.325 ( 64.026 23.867 0.000) 68.330 30.958 ( 3.676 3.501 0.000) 5.076 ======================= Grid point 2 (3/155) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 8.546 -11.489 0.000) 14.319 0.972 ( 3.941 -20.621 0.000) 20.995 1.493 ( -0.302 -27.166 0.000) 27.167 2.148 ( 0.216 -6.413 0.000) 6.417 2.399 ( -0.428 0.722 0.000) 0.839 2.463 ( 4.389 -4.632 0.000) 6.381 2.630 ( -4.778 3.005 0.000) 5.644 2.767 ( 5.275 -0.266 0.000) 5.282 3.004 ( 2.727 -0.459 0.000) 2.765 3.139 ( -2.293 -5.951 0.000) 6.377 3.647 ( 1.364 2.142 0.000) 2.540 3.759 ( -0.441 2.360 0.000) 2.401 4.039 ( 0.222 3.014 0.000) 3.022 4.082 ( 4.151 -5.630 0.000) 6.995 4.551 ( -6.943 7.697 0.000) 10.365 4.759 ( -7.908 10.183 0.000) 12.893 4.774 ( -0.305 8.855 0.000) 8.860 5.021 ( 0.843 3.535 0.000) 3.634 5.449 ( 12.070 -3.368 0.000) 12.531 7.597 ( -10.544 -21.038 0.000) 23.532 7.854 ( -7.456 10.791 0.000) 13.116 8.161 ( 11.994 -2.307 0.000) 12.214 8.494 ( 0.986 -7.972 0.000) 8.033 8.743 ( -0.812 -4.125 0.000) 4.204 9.797 ( 3.152 11.459 0.000) 11.885 10.005 ( -0.114 -13.985 0.000) 13.985 10.794 ( -2.559 -10.083 0.000) 10.402 10.926 ( 0.125 -1.518 0.000) 1.523 11.314 ( -20.463 -13.775 0.000) 24.667 11.794 ( 0.791 -6.737 0.000) 6.784 12.056 ( 4.321 -19.139 0.000) 19.621 12.575 ( -10.644 -0.231 0.000) 10.647 12.688 ( 1.625 -4.005 0.000) 4.322 12.950 ( 12.718 6.156 0.000) 14.129 13.778 ( -3.788 6.244 0.000) 7.303 14.481 ( -3.528 -2.211 0.000) 4.163 14.734 ( -24.923 -9.301 0.000) 26.602 15.444 ( -1.075 10.382 0.000) 10.437 15.757 ( 19.286 24.844 0.000) 31.451 16.793 ( 1.085 -3.645 0.000) 3.803 16.831 ( 2.165 1.131 0.000) 2.442 19.674 ( -0.274 1.581 0.000) 1.604 26.026 ( -22.241 0.740 0.000) 22.253 27.364 ( -0.221 -2.873 0.000) 2.882 28.096 ( -0.077 -0.410 0.000) 0.417 28.426 ( 0.552 1.302 0.000) 1.414 29.291 ( 35.037 15.914 0.000) 38.482 30.908 ( -2.474 2.228 0.000) 3.329 ======================= Grid point 3 (4/155) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 9.434 -1.125 0.000) 9.501 1.329 ( 1.317 -16.874 0.000) 16.925 1.769 ( -11.592 -7.656 0.000) 13.892 2.179 ( 0.488 3.903 0.000) 3.933 2.391 ( -1.139 -1.437 0.000) 1.834 2.500 ( -0.987 -0.159 0.000) 1.000 2.655 ( 1.936 -3.934 0.000) 4.385 2.886 ( 9.982 -8.538 0.000) 13.136 3.121 ( -0.709 -7.726 0.000) 7.758 3.238 ( 0.080 -6.316 0.000) 6.317 3.455 ( -5.644 13.838 0.000) 14.945 3.744 ( 6.066 -1.042 0.000) 6.155 4.074 ( 1.106 -3.609 0.000) 3.775 4.204 ( 5.821 0.252 0.000) 5.826 4.312 ( -5.353 11.907 0.000) 13.055 4.581 ( 0.127 7.624 0.000) 7.625 4.658 ( -6.468 -1.839 0.000) 6.725 4.932 ( -0.620 6.342 0.000) 6.373 5.545 ( 7.319 0.107 0.000) 7.319 7.572 ( -9.685 11.736 0.000) 15.216 7.808 ( -9.069 -8.907 0.000) 12.712 8.275 ( 7.938 -1.071 0.000) 8.010 8.709 ( 1.370 -5.718 0.000) 5.880 8.875 ( 4.929 -16.264 0.000) 16.995 9.690 ( 3.448 1.856 0.000) 3.916 10.230 ( -2.247 -9.617 0.000) 9.876 10.906 ( -3.222 -6.232 0.000) 7.015 11.039 ( 0.460 -8.880 0.000) 8.892 11.429 ( -11.470 -10.764 0.000) 15.729 11.906 ( 7.556 -2.069 0.000) 7.834 12.436 ( -6.864 -3.491 0.000) 7.701 12.500 ( -2.018 -12.743 0.000) 12.902 12.835 ( 1.900 -11.883 0.000) 12.034 12.941 ( 11.877 3.006 0.000) 12.251 13.632 ( -1.498 6.829 0.000) 6.991 14.475 ( -5.866 0.114 0.000) 5.867 14.718 ( -12.325 -1.742 0.000) 12.448 15.214 ( 5.330 17.062 0.000) 17.875 15.437 ( 0.845 15.040 0.000) 15.063 16.799 ( 0.116 2.644 0.000) 2.646 16.880 ( 2.876 -3.940 0.000) 4.877 19.642 ( -0.065 1.676 0.000) 1.677 25.863 ( -12.592 3.931 0.000) 13.192 27.418 ( -0.094 -2.958 0.000) 2.960 28.102 ( -0.122 -0.344 0.000) 0.365 28.411 ( 1.094 0.816 0.000) 1.365 29.207 ( 20.454 13.068 0.000) 24.273 30.852 ( -3.126 1.683 0.000) 3.551 ======================= Grid point 4 (5/155) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 12.626 0.365 0.000) 12.631 1.614 ( -1.042 -14.373 0.000) 14.410 1.691 ( -13.636 4.045 0.000) 14.223 2.048 ( 1.589 10.048 0.000) 10.172 2.428 ( -1.253 -3.004 0.000) 3.255 2.527 ( -2.290 -3.276 0.000) 3.997 2.741 ( 1.864 -4.019 0.000) 4.430 3.097 ( 2.224 2.272 0.000) 3.179 3.133 ( 1.276 -4.559 0.000) 4.734 3.214 ( -2.400 6.781 0.000) 7.194 3.449 ( 3.128 -12.294 0.000) 12.685 3.815 ( 1.527 -2.841 0.000) 3.225 4.028 ( -3.504 8.455 0.000) 9.153 4.144 ( 4.126 11.061 0.000) 11.806 4.193 ( -0.580 -5.171 0.000) 5.203 4.497 ( 3.032 1.441 0.000) 3.357 4.739 ( -2.988 -7.015 0.000) 7.625 4.787 ( -0.717 8.422 0.000) 8.453 5.554 ( 2.650 1.729 0.000) 3.164 7.332 ( -5.546 7.999 0.000) 9.734 7.864 ( -4.114 -2.874 0.000) 5.019 8.304 ( 1.145 0.466 0.000) 1.236 8.761 ( -1.552 -2.587 0.000) 3.017 9.197 ( 10.312 -7.090 0.000) 12.514 9.813 ( 1.691 -13.501 0.000) 13.606 10.283 ( -4.190 1.665 0.000) 4.508 11.034 ( -0.404 -8.282 0.000) 8.292 11.177 ( -1.649 -5.433 0.000) 5.678 11.581 ( -4.955 -12.405 0.000) 13.358 11.946 ( 4.511 1.906 0.000) 4.897 12.226 ( -2.445 13.904 0.000) 14.118 12.788 ( 2.609 -9.096 0.000) 9.463 12.973 ( 5.122 -1.980 0.000) 5.492 13.159 ( -4.991 -17.190 0.000) 17.900 13.593 ( 6.277 -5.733 0.000) 8.501 14.397 ( -6.176 3.522 0.000) 7.110 14.546 ( -4.906 17.128 0.000) 17.817 14.966 ( 4.703 9.199 0.000) 10.331 15.264 ( -4.220 3.606 0.000) 5.550 16.750 ( -0.645 2.059 0.000) 2.158 16.961 ( 2.676 -2.478 0.000) 3.647 19.616 ( 0.003 1.059 0.000) 1.059 25.735 ( -5.963 3.025 0.000) 6.687 27.463 ( 0.011 -1.867 0.000) 1.867 28.107 ( -0.090 -0.195 0.000) 0.214 28.412 ( 1.064 0.024 0.000) 1.064 29.104 ( 8.978 8.089 0.000) 12.084 30.810 ( -1.757 1.037 0.000) 2.040 ======================= Grid point 5 (6/155) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 0.000 -0.000 0.000) 0.000 1.570 ( -0.000 -0.000 0.000) 0.000 1.836 ( 0.000 0.000 0.000) 0.000 1.866 ( -0.000 -0.000 0.000) 0.000 2.457 ( 0.000 -0.000 0.000) 0.000 2.556 ( 0.000 -0.000 0.000) 0.000 2.796 ( 0.000 -0.000 0.000) 0.000 3.024 ( 0.000 -0.000 0.000) 0.000 3.123 ( 0.000 -0.000 0.000) 0.000 3.237 ( -0.000 -0.000 0.000) 0.000 3.619 ( 0.000 -0.000 0.000) 0.000 3.847 ( -0.000 -0.000 0.000) 0.000 3.923 ( 0.000 -0.000 0.000) 0.000 4.010 ( 0.000 0.000 0.000) 0.000 4.256 ( 0.000 -0.000 0.000) 0.000 4.529 ( 0.000 -0.000 0.000) 0.000 4.668 ( -0.000 0.000 0.000) 0.000 4.803 ( 0.000 -0.000 0.000) 0.000 5.543 ( 0.000 -0.000 0.000) 0.000 7.236 ( 0.000 -0.000 0.000) 0.000 7.875 ( -0.000 -0.000 0.000) 0.000 8.299 ( 0.000 -0.000 0.000) 0.000 8.783 ( 0.000 -0.000 0.000) 0.000 9.278 ( -0.000 -0.000 0.000) 0.000 10.055 ( 0.000 0.000 0.000) 0.000 10.166 ( 0.000 -0.000 0.000) 0.000 11.132 ( -0.000 -0.000 0.000) 0.000 11.208 ( 0.000 -0.000 0.000) 0.000 11.761 ( 0.000 -0.000 0.000) 0.000 11.907 ( 0.000 -0.000 0.000) 0.000 12.031 ( 0.000 0.000 0.000) 0.000 12.871 ( 0.000 -0.000 0.000) 0.000 13.019 ( 0.000 -0.000 0.000) 0.000 13.272 ( 0.000 -0.000 0.000) 0.000 13.879 ( 0.000 0.000 0.000) 0.000 14.164 ( -0.000 -0.000 0.000) 0.000 14.352 ( 0.000 -0.000 0.000) 0.000 14.917 ( 0.000 -0.000 0.000) 0.000 15.220 ( 0.000 -0.000 0.000) 0.000 16.728 ( 0.000 -0.000 0.000) 0.000 16.994 ( 0.000 -0.000 0.000) 0.000 19.606 ( 0.000 -0.000 0.000) 0.000 25.686 ( 0.000 -0.000 0.000) 0.000 27.481 ( 0.000 -0.000 0.000) 0.000 28.108 ( 0.000 -0.000 0.000) 0.000 28.417 ( 0.000 -0.000 0.000) 0.000 29.056 ( 0.000 -0.000 0.000) 0.000 30.794 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/155) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.299 ( 21.709 -0.000 0.000) 21.709 0.366 ( 26.197 -0.000 0.000) 26.197 0.538 ( 40.142 -0.000 0.000) 40.142 1.943 ( 2.145 -0.000 0.000) 2.145 2.309 ( 2.912 -0.000 0.000) 2.912 2.335 ( -0.942 0.000 0.000) 0.942 2.390 ( 2.744 -0.000 0.000) 2.744 2.758 ( 0.702 -0.000 0.000) 0.702 2.979 ( 0.123 -0.000 0.000) 0.123 3.245 ( 0.313 -0.000 0.000) 0.313 3.664 ( -3.108 0.000 0.000) 3.108 3.834 ( 2.556 -0.000 0.000) 2.556 3.976 ( -2.342 0.000 0.000) 2.342 4.194 ( 3.130 -0.000 0.000) 3.130 4.649 ( -9.698 0.000 0.000) 9.698 4.911 ( -1.567 0.000 0.000) 1.567 5.052 ( -0.053 0.000 0.000) 0.053 5.055 ( 5.670 -0.000 0.000) 5.670 5.952 ( 4.873 -0.000 0.000) 4.873 7.073 ( -4.828 0.000 0.000) 4.828 8.138 ( -6.218 0.000 0.000) 6.218 8.179 ( 0.562 -0.000 0.000) 0.562 8.445 ( -3.412 0.000 0.000) 3.412 8.642 ( 7.417 -0.000 0.000) 7.417 9.047 ( -2.606 0.000 0.000) 2.606 9.644 ( -0.398 0.000 0.000) 0.398 10.300 ( 0.533 -0.000 0.000) 0.533 10.482 ( 5.293 -0.000 0.000) 5.293 10.929 ( -2.368 0.000 0.000) 2.368 11.418 ( -0.163 0.000 0.000) 0.163 11.814 ( -4.676 0.000 0.000) 4.676 12.399 ( 0.869 -0.000 0.000) 0.869 12.622 ( -3.078 0.000 0.000) 3.078 13.053 ( 3.186 -0.000 0.000) 3.186 13.691 ( 1.416 -0.000 0.000) 1.416 14.112 ( 0.148 -0.000 0.000) 0.148 14.458 ( 0.416 -0.000 0.000) 0.416 15.673 ( -0.183 0.000 0.000) 0.183 16.700 ( -1.469 0.000 0.000) 1.469 16.746 ( 1.531 -0.000 0.000) 1.531 17.230 ( 0.184 -0.000 0.000) 0.184 19.676 ( 0.052 -0.000 0.000) 0.052 25.250 ( 0.053 -0.000 0.000) 0.053 27.306 ( -0.044 0.000 0.000) 0.044 28.087 ( -0.025 0.000 0.000) 0.025 28.454 ( -0.147 0.000 0.000) 0.147 30.364 ( -0.015 0.000 0.000) 0.015 31.538 ( 0.012 -0.000 0.000) 0.012 ======================= Grid point 13 (8/155) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 12.042 -16.552 0.000) 20.469 0.676 ( 18.140 -13.427 0.000) 22.569 1.055 ( 20.848 -23.490 0.000) 31.407 2.025 ( 2.395 -6.285 0.000) 6.726 2.374 ( 0.648 -4.639 0.000) 4.684 2.415 ( 3.321 -1.041 0.000) 3.481 2.572 ( -9.734 -9.649 0.000) 13.706 2.766 ( 1.752 -0.394 0.000) 1.796 2.981 ( -1.205 -2.029 0.000) 2.360 3.184 ( 2.214 7.032 0.000) 7.372 3.660 ( -3.633 -1.293 0.000) 3.856 3.802 ( 12.233 5.324 0.000) 13.341 3.937 ( 1.950 -7.106 0.000) 7.368 4.154 ( -7.664 5.904 0.000) 9.674 4.582 ( -11.874 1.985 0.000) 12.038 4.887 ( -0.072 3.581 0.000) 3.581 4.964 ( -0.293 10.928 0.000) 10.932 5.087 ( 4.028 2.153 0.000) 4.567 5.577 ( 19.664 12.442 0.000) 23.270 7.180 ( -8.769 -15.147 0.000) 17.502 7.968 ( -1.480 3.576 0.000) 3.870 8.143 ( -1.559 0.921 0.000) 1.810 8.434 ( -0.039 -1.456 0.000) 1.457 8.702 ( 4.984 -1.579 0.000) 5.229 9.734 ( -2.523 -10.465 0.000) 10.765 10.107 ( 5.325 14.264 0.000) 15.226 10.409 ( -43.702 -51.482 0.000) 67.530 10.705 ( -3.311 -19.866 0.000) 20.140 10.916 ( -3.519 -1.057 0.000) 3.674 11.549 ( -1.714 -13.051 0.000) 13.163 11.861 ( -2.816 -8.065 0.000) 8.543 12.474 ( -6.805 -4.005 0.000) 7.896 12.633 ( -1.021 -3.524 0.000) 3.669 13.086 ( 6.619 0.454 0.000) 6.634 13.774 ( -8.452 -3.189 0.000) 9.034 14.227 ( -13.716 -13.051 0.000) 18.933 14.486 ( -0.095 -3.006 0.000) 3.007 15.601 ( -0.385 7.160 0.000) 7.171 16.485 ( 15.565 33.727 0.000) 37.145 16.724 ( -0.522 -3.251 0.000) 3.292 16.925 ( 9.210 9.135 0.000) 12.972 19.687 ( -0.722 -0.019 0.000) 0.723 25.640 ( -25.765 -23.602 0.000) 34.941 27.321 ( 0.037 -1.640 0.000) 1.641 28.089 ( -0.045 -0.271 0.000) 0.275 28.447 ( 0.043 0.640 0.000) 0.641 30.059 ( 35.465 30.924 0.000) 47.054 31.045 ( 8.379 20.380 0.000) 22.035 ======================= Grid point 14 (9/155) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 10.903 -9.168 0.000) 14.245 1.037 ( 6.162 -16.377 0.000) 17.498 1.493 ( 0.451 -14.974 0.000) 14.981 2.155 ( 0.804 -5.354 0.000) 5.414 2.400 ( 0.525 1.614 0.000) 1.698 2.518 ( 2.578 -3.000 0.000) 3.956 2.579 ( -1.931 -1.467 0.000) 2.425 2.846 ( 6.750 -5.727 0.000) 8.852 3.029 ( 0.330 -1.995 0.000) 2.022 3.123 ( 0.742 -2.607 0.000) 2.711 3.590 ( -9.174 5.951 0.000) 10.935 3.807 ( 6.141 2.597 0.000) 6.667 4.027 ( -2.000 -1.398 0.000) 2.440 4.159 ( 6.880 -8.963 0.000) 11.299 4.433 ( -9.843 6.043 0.000) 11.550 4.704 ( 0.350 14.090 0.000) 14.095 4.776 ( 1.049 8.336 0.000) 8.402 5.032 ( 0.688 4.972 0.000) 5.019 5.606 ( 10.497 0.612 0.000) 10.515 7.421 ( -14.899 -16.796 0.000) 22.452 7.783 ( -4.108 11.495 0.000) 12.207 8.296 ( 8.226 -9.099 0.000) 12.266 8.506 ( 0.491 -10.322 0.000) 10.334 8.737 ( 0.210 -0.538 0.000) 0.578 9.846 ( 3.390 5.840 0.000) 6.753 10.010 ( 1.355 -8.106 0.000) 8.219 10.719 ( -9.389 -12.672 0.000) 15.771 10.930 ( -0.929 -3.463 0.000) 3.586 11.063 ( -13.447 -20.855 0.000) 24.815 11.795 ( -0.617 -13.504 0.000) 13.518 12.089 ( 0.563 -17.177 0.000) 17.186 12.450 ( -8.181 0.044 0.000) 8.181 12.716 ( 2.501 -4.821 0.000) 5.431 13.108 ( 10.612 3.646 0.000) 11.221 13.706 ( -6.660 3.710 0.000) 7.624 14.332 ( -16.325 -9.114 0.000) 18.697 14.554 ( -3.339 -5.015 0.000) 6.024 15.436 ( -0.416 9.779 0.000) 9.787 15.961 ( 11.564 32.598 0.000) 34.589 16.805 ( 0.755 -4.966 0.000) 5.024 16.871 ( 3.592 3.508 0.000) 5.021 19.670 ( -0.253 1.328 0.000) 1.351 25.743 ( -18.379 -6.472 0.000) 19.485 27.364 ( 0.291 -2.824 0.000) 2.839 28.095 ( -0.065 -0.381 0.000) 0.387 28.435 ( 0.647 0.869 0.000) 1.083 29.770 ( 33.710 27.500 0.000) 43.504 30.860 ( -4.649 3.758 0.000) 5.978 ======================= Grid point 15 (10/155) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 10.734 -2.233 0.000) 10.964 1.343 ( 0.504 -14.833 0.000) 14.841 1.608 ( -11.631 -2.773 0.000) 11.957 2.186 ( 0.574 3.038 0.000) 3.092 2.381 ( -0.405 -0.171 0.000) 0.439 2.479 ( -1.784 0.428 0.000) 1.835 2.685 ( 2.295 -4.160 0.000) 4.751 3.025 ( 9.854 -7.081 0.000) 12.134 3.095 ( -2.273 -4.391 0.000) 4.944 3.260 ( 2.479 -10.021 0.000) 10.323 3.355 ( -8.786 10.427 0.000) 13.635 3.823 ( 5.445 0.498 0.000) 5.467 4.063 ( -2.922 -4.449 0.000) 5.323 4.193 ( -6.809 8.780 0.000) 11.111 4.345 ( 9.435 5.292 0.000) 10.818 4.582 ( 0.926 -3.467 0.000) 3.588 4.625 ( 1.426 7.522 0.000) 7.656 4.920 ( -1.207 7.013 0.000) 7.116 5.626 ( 4.562 2.661 0.000) 5.281 7.448 ( -8.584 6.373 0.000) 10.691 7.675 ( -10.422 -7.284 0.000) 12.715 8.372 ( 5.935 2.605 0.000) 6.482 8.721 ( 0.927 -1.092 0.000) 1.433 8.950 ( 5.833 -26.081 0.000) 26.725 9.750 ( 5.455 4.872 0.000) 7.314 10.189 ( -3.960 -8.398 0.000) 9.285 10.865 ( -2.593 -9.093 0.000) 9.455 11.029 ( -2.314 -8.040 0.000) 8.366 11.307 ( -6.524 -14.083 0.000) 15.521 11.980 ( 3.750 -4.000 0.000) 5.483 12.348 ( -5.692 1.627 0.000) 5.920 12.484 ( -0.989 -20.351 0.000) 20.375 12.870 ( 3.493 -10.381 0.000) 10.953 13.089 ( 10.329 6.022 0.000) 11.956 13.602 ( -3.026 2.347 0.000) 3.829 14.351 ( -12.118 -3.535 0.000) 12.623 14.597 ( -5.817 -2.038 0.000) 6.164 15.266 ( 2.722 9.822 0.000) 10.192 15.454 ( 1.743 26.251 0.000) 26.309 16.812 ( 1.750 3.620 0.000) 4.021 16.914 ( 1.982 -4.216 0.000) 4.658 19.641 ( -0.040 1.593 0.000) 1.593 25.702 ( -10.992 -0.851 0.000) 11.025 27.421 ( 0.542 -2.849 0.000) 2.900 28.101 ( -0.031 -0.335 0.000) 0.337 28.427 ( 1.181 0.601 0.000) 1.325 29.480 ( 19.542 23.010 0.000) 30.188 30.802 ( -4.326 0.103 0.000) 4.327 ======================= Grid point 16 (11/155) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 6.203 3.881 0.000) 7.317 1.512 ( -9.811 -2.425 0.000) 10.106 1.608 ( -1.020 -12.064 0.000) 12.107 2.072 ( 1.817 9.551 0.000) 9.723 2.415 ( -0.845 -3.794 0.000) 3.887 2.500 ( -1.534 -2.909 0.000) 3.289 2.769 ( 2.485 -3.623 0.000) 4.393 3.081 ( -3.075 2.734 0.000) 4.114 3.123 ( -5.472 4.397 0.000) 7.020 3.224 ( 4.975 -3.326 0.000) 5.985 3.506 ( 5.081 -12.329 0.000) 13.335 3.824 ( 0.040 1.988 0.000) 1.989 3.994 ( -1.959 7.296 0.000) 7.554 4.168 ( -2.387 -6.398 0.000) 6.829 4.201 ( 3.615 11.029 0.000) 11.606 4.529 ( 1.574 2.541 0.000) 2.989 4.704 ( -2.382 0.205 0.000) 2.391 4.799 ( 2.717 1.557 0.000) 3.132 5.588 ( 2.351 3.236 0.000) 3.999 7.285 ( -1.323 5.521 0.000) 5.677 7.750 ( -11.437 -7.741 0.000) 13.810 8.351 ( 4.465 2.655 0.000) 5.195 8.755 ( 0.548 -2.196 0.000) 2.264 9.315 ( 7.338 -3.337 0.000) 8.061 9.843 ( 2.836 -14.356 0.000) 14.633 10.219 ( -5.157 1.645 0.000) 5.413 11.033 ( 0.451 -9.206 0.000) 9.217 11.150 ( -2.354 -5.797 0.000) 6.257 11.529 ( -2.943 -14.580 0.000) 14.874 11.985 ( 1.680 4.279 0.000) 4.597 12.198 ( -1.815 10.370 0.000) 10.527 12.832 ( 4.020 -10.895 0.000) 11.613 13.036 ( 3.358 3.356 0.000) 4.747 13.106 ( -2.318 -12.936 0.000) 13.142 13.665 ( 4.396 -10.875 0.000) 11.730 14.321 ( -4.942 0.214 0.000) 4.947 14.477 ( -5.490 13.674 0.000) 14.735 14.990 ( -1.075 14.069 0.000) 14.110 15.236 ( 0.307 1.851 0.000) 1.876 16.765 ( 2.770 2.740 0.000) 3.896 16.977 ( -0.308 -1.758 0.000) 1.784 19.616 ( 0.016 1.052 0.000) 1.052 25.660 ( -4.972 -0.989 0.000) 5.070 27.468 ( 0.585 -1.659 0.000) 1.760 28.106 ( 0.055 -0.206 0.000) 0.213 28.426 ( 0.978 0.476 0.000) 1.087 29.215 ( 7.285 14.971 0.000) 16.650 30.786 ( -1.794 -0.456 0.000) 1.851 ======================= Grid point 17 (12/155) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -11.202 7.587 0.000) 13.530 1.636 ( 7.507 -9.212 0.000) 11.883 1.826 ( -1.150 -11.170 0.000) 11.229 1.878 ( 1.317 11.785 0.000) 11.859 2.467 ( 1.386 -0.330 0.000) 1.425 2.546 ( -1.384 -2.910 0.000) 3.223 2.806 ( 1.426 2.617 0.000) 2.981 3.013 ( -1.370 -0.187 0.000) 1.383 3.103 ( -2.739 -5.778 0.000) 6.395 3.245 ( 0.990 4.618 0.000) 4.723 3.623 ( 0.510 6.885 0.000) 6.903 3.849 ( 0.316 -7.715 0.000) 7.721 3.945 ( 3.084 -2.024 0.000) 3.689 4.007 ( -0.422 7.130 0.000) 7.143 4.241 ( -2.135 -0.039 0.000) 2.136 4.525 ( -0.697 3.666 0.000) 3.732 4.627 ( -4.325 -5.374 0.000) 6.899 4.838 ( 3.617 1.253 0.000) 3.828 5.554 ( 1.441 1.945 0.000) 2.420 7.264 ( 3.850 -2.516 0.000) 4.599 7.804 ( -8.874 -5.664 0.000) 10.528 8.344 ( 5.019 1.680 0.000) 5.293 8.795 ( 1.757 -0.912 0.000) 1.980 9.260 ( -2.462 7.436 0.000) 7.833 10.040 ( -1.611 8.573 0.000) 8.723 10.184 ( 2.030 -10.313 0.000) 10.511 11.134 ( 0.249 0.994 0.000) 1.025 11.208 ( -0.020 -2.587 0.000) 2.587 11.764 ( 0.354 -3.818 0.000) 3.835 11.914 ( 1.161 -0.360 0.000) 1.216 12.015 ( -2.262 2.733 0.000) 3.548 12.869 ( -0.223 3.944 0.000) 3.950 13.031 ( 1.677 2.897 0.000) 3.348 13.265 ( -0.879 -6.594 0.000) 6.653 13.883 ( 0.531 17.507 0.000) 17.516 14.149 ( -1.845 -13.622 0.000) 13.747 14.379 ( 3.598 -3.667 0.000) 5.138 14.865 ( -6.497 -0.481 0.000) 6.514 15.252 ( 3.657 -1.376 0.000) 3.907 16.755 ( 3.896 0.804 0.000) 3.978 16.971 ( -3.432 0.933 0.000) 3.557 19.606 ( 0.007 0.014 0.000) 0.015 25.687 ( 0.199 -3.904 0.000) 3.909 27.485 ( 0.487 0.220 0.000) 0.534 28.109 ( 0.141 -0.014 0.000) 0.141 28.417 ( -0.053 0.894 0.000) 0.895 29.050 ( -0.790 5.349 0.000) 5.407 30.795 ( 0.028 -1.183 0.000) 1.183 ======================= Grid point 18 (13/155) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -9.373 -1.868 0.000) 9.557 1.623 ( 0.424 15.380 0.000) 15.386 1.846 ( 8.774 -5.932 0.000) 10.591 2.031 ( -0.965 -10.463 0.000) 10.508 2.446 ( 1.303 2.832 0.000) 3.118 2.554 ( 1.504 2.298 0.000) 2.746 2.720 ( -1.114 5.423 0.000) 5.536 3.046 ( -3.438 10.468 0.000) 11.018 3.129 ( -0.547 -7.916 0.000) 7.935 3.236 ( 1.045 -5.633 0.000) 5.729 3.425 ( -0.762 10.987 0.000) 11.014 3.789 ( -2.001 7.228 0.000) 7.499 4.084 ( 4.075 -7.153 0.000) 8.232 4.095 ( -2.340 -8.793 0.000) 9.099 4.186 ( -1.784 1.224 0.000) 2.163 4.462 ( -1.963 -1.618 0.000) 2.543 4.773 ( 1.759 -3.457 0.000) 3.879 4.807 ( 1.823 -1.169 0.000) 2.166 5.524 ( -1.743 1.692 0.000) 2.429 7.420 ( 7.035 -10.026 0.000) 12.248 7.846 ( -5.168 -4.184 0.000) 6.649 8.334 ( 4.289 3.995 0.000) 5.861 8.799 ( 4.388 2.954 0.000) 5.289 9.052 ( -11.109 10.262 0.000) 15.123 9.799 ( -0.468 12.872 0.000) 12.881 10.325 ( 2.177 -1.349 0.000) 2.561 11.041 ( 0.531 7.257 0.000) 7.277 11.193 ( 0.847 5.704 0.000) 5.766 11.660 ( 6.955 8.812 0.000) 11.226 11.866 ( -7.271 1.563 0.000) 7.438 12.259 ( 2.253 -18.065 0.000) 18.205 12.761 ( -1.423 7.853 0.000) 7.981 12.915 ( -3.252 7.244 0.000) 7.940 13.228 ( 5.030 24.244 0.000) 24.760 13.509 ( -5.998 -1.979 0.000) 6.316 14.468 ( 3.989 -4.748 0.000) 6.201 14.612 ( 5.157 -21.162 0.000) 21.781 14.884 ( -6.718 -7.292 0.000) 9.915 15.323 ( 3.847 -3.654 0.000) 5.306 16.781 ( 3.741 -0.544 0.000) 3.780 16.910 ( -4.775 2.246 0.000) 5.277 19.616 ( 0.005 -1.071 0.000) 1.071 25.806 ( 4.279 -7.277 0.000) 8.442 27.467 ( 0.413 2.004 0.000) 2.046 28.109 ( 0.172 0.201 0.000) 0.264 28.400 ( -0.712 0.377 0.000) 0.806 28.996 ( -6.651 -1.458 0.000) 6.809 30.829 ( 1.058 -2.144 0.000) 2.391 ======================= Grid point 19 (14/155) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -3.939 0.538 0.000) 3.975 1.315 ( -0.605 18.310 0.000) 18.320 1.886 ( 5.158 9.946 0.000) 11.204 2.173 ( -0.299 -4.386 0.000) 4.397 2.410 ( 1.401 1.109 0.000) 1.787 2.498 ( -1.003 4.165 0.000) 4.284 2.644 ( 0.219 0.711 0.000) 0.744 2.782 ( -4.805 10.605 0.000) 11.643 3.118 ( -0.480 9.981 0.000) 9.993 3.250 ( 0.933 3.480 0.000) 3.603 3.502 ( 1.588 -15.839 0.000) 15.919 3.681 ( -2.849 1.785 0.000) 3.363 4.056 ( -0.950 4.815 0.000) 4.908 4.145 ( -2.444 1.283 0.000) 2.760 4.373 ( 2.746 -14.018 0.000) 14.284 4.580 ( 0.002 -10.237 0.000) 10.237 4.749 ( 5.054 1.313 0.000) 5.221 4.936 ( 0.140 -6.030 0.000) 6.032 5.457 ( -4.517 3.425 0.000) 5.669 7.682 ( 5.606 -12.316 0.000) 13.532 7.891 ( 2.864 -1.435 0.000) 3.204 8.190 ( -3.797 13.278 0.000) 13.810 8.684 ( -1.793 12.436 0.000) 12.564 8.834 ( -1.348 4.839 0.000) 5.023 9.661 ( -1.060 0.311 0.000) 1.105 10.249 ( 0.668 10.278 0.000) 10.300 10.941 ( 1.722 3.662 0.000) 4.046 11.028 ( -0.805 11.108 0.000) 11.137 11.589 ( 11.405 7.103 0.000) 13.436 11.787 ( -9.565 0.305 0.000) 9.570 12.483 ( 0.778 23.107 0.000) 23.120 12.572 ( 7.197 -11.155 0.000) 13.275 12.790 ( -8.978 1.574 0.000) 9.115 12.821 ( -0.850 13.825 0.000) 13.851 13.644 ( 0.450 -9.302 0.000) 9.313 14.518 ( 1.346 0.396 0.000) 1.403 14.880 ( 9.677 -3.948 0.000) 10.451 15.132 ( -5.987 -21.892 0.000) 22.696 15.431 ( -0.123 -6.448 0.000) 6.449 16.807 ( 0.976 0.107 0.000) 0.982 16.845 ( -2.122 1.835 0.000) 2.805 19.643 ( 0.034 -1.749 0.000) 1.749 25.998 ( 6.188 -9.541 0.000) 11.372 27.422 ( 0.319 3.019 0.000) 3.036 28.104 ( 0.103 0.382 0.000) 0.396 28.400 ( -0.488 -0.904 0.000) 1.027 28.993 ( -9.622 -3.814 0.000) 10.350 30.881 ( 1.121 -2.458 0.000) 2.701 ======================= Grid point 20 (15/155) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 0.000 13.007 0.000) 13.007 0.943 ( 0.000 22.195 0.000) 22.195 1.496 ( 0.000 32.384 0.000) 32.384 2.147 ( 0.000 6.733 0.000) 6.733 2.414 ( 0.000 1.295 0.000) 1.295 2.420 ( 0.000 2.271 0.000) 2.271 2.684 ( -0.000 -2.534 0.000) 2.534 2.712 ( -0.000 -4.372 0.000) 4.372 2.982 ( 0.000 1.554 0.000) 1.554 3.158 ( 0.000 6.219 0.000) 6.219 3.623 ( 0.000 0.106 0.000) 0.106 3.772 ( -0.000 -1.903 0.000) 1.903 4.041 ( -0.000 -9.633 0.000) 9.633 4.047 ( 0.000 7.771 0.000) 7.771 4.599 ( -0.000 -8.172 0.000) 8.172 4.776 ( -0.000 -8.712 0.000) 8.712 4.837 ( -0.000 -10.163 0.000) 10.163 5.013 ( -0.000 -2.699 0.000) 2.699 5.349 ( 0.000 6.217 0.000) 6.217 7.669 ( 0.000 21.921 0.000) 21.921 7.981 ( -0.000 -2.885 0.000) 2.885 8.003 ( -0.000 -6.681 0.000) 6.681 8.487 ( 0.000 6.610 0.000) 6.610 8.750 ( 0.000 5.579 0.000) 5.579 9.775 ( -0.000 -12.306 0.000) 12.306 10.006 ( 0.000 14.930 0.000) 14.930 10.807 ( 0.000 11.601 0.000) 11.601 10.927 ( -0.000 -0.228 0.000) 0.228 11.483 ( 0.000 8.876 0.000) 8.876 11.781 ( -0.000 -2.633 0.000) 2.633 12.013 ( 0.000 25.223 0.000) 25.223 12.675 ( 0.000 3.650 0.000) 3.650 12.690 ( 0.000 2.836 0.000) 2.836 12.822 ( -0.000 -9.259 0.000) 9.259 13.803 ( -0.000 -7.337 0.000) 7.337 14.497 ( 0.000 1.848 0.000) 1.848 14.981 ( -0.000 -2.580 0.000) 2.580 15.481 ( -0.000 -17.636 0.000) 17.636 15.537 ( -0.000 -6.029 0.000) 6.029 16.783 ( 0.000 1.885 0.000) 1.885 16.818 ( 0.000 1.305 0.000) 1.305 19.676 ( -0.000 -1.750 0.000) 1.750 26.207 ( -0.000 -9.576 0.000) 9.576 27.367 ( 0.000 2.912 0.000) 2.912 28.097 ( 0.000 0.439 0.000) 0.439 28.422 ( -0.000 -1.448 0.000) 1.448 29.016 ( -0.000 -3.380 0.000) 3.380 30.924 ( -0.000 -1.722 0.000) 1.722 ======================= Grid point 23 (16/155) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 17.776 -0.000 0.000) 17.776 0.674 ( 19.840 -0.000 0.000) 19.840 1.050 ( 36.999 -0.000 0.000) 36.999 1.986 ( 4.326 -0.000 0.000) 4.326 2.327 ( -0.340 0.000 0.000) 0.340 2.364 ( 5.460 -0.000 0.000) 5.460 2.434 ( 3.952 -0.000 0.000) 3.952 2.768 ( 0.739 -0.000 0.000) 0.739 2.981 ( 0.140 -0.000 0.000) 0.140 3.239 ( -1.618 0.000 0.000) 1.618 3.636 ( -0.348 0.000 0.000) 0.348 3.864 ( -0.553 0.000 0.000) 0.553 3.943 ( -0.529 0.000 0.000) 0.529 4.213 ( -0.938 0.000 0.000) 0.938 4.486 ( -13.826 0.000 0.000) 13.826 4.913 ( 1.775 -0.000 0.000) 1.775 5.051 ( 0.034 -0.000 0.000) 0.034 5.146 ( 8.390 -0.000 0.000) 8.390 6.029 ( 6.159 -0.000 0.000) 6.159 6.981 ( -8.954 0.000 0.000) 8.954 8.050 ( -6.316 0.000 0.000) 6.316 8.189 ( 0.906 -0.000 0.000) 0.906 8.401 ( -3.269 0.000 0.000) 3.269 8.742 ( 7.138 -0.000 0.000) 7.138 9.001 ( -4.143 0.000 0.000) 4.143 9.627 ( -2.416 0.000 0.000) 2.416 10.320 ( 2.842 -0.000 0.000) 2.842 10.576 ( 8.436 -0.000 0.000) 8.436 10.882 ( -4.670 0.000 0.000) 4.670 11.415 ( -0.261 0.000 0.000) 0.261 11.736 ( -6.590 0.000 0.000) 6.590 12.412 ( 1.006 -0.000 0.000) 1.006 12.567 ( -5.073 0.000 0.000) 5.073 13.107 ( 4.648 -0.000 0.000) 4.648 13.716 ( 2.157 -0.000 0.000) 2.157 14.115 ( 0.231 -0.000 0.000) 0.231 14.465 ( 0.675 -0.000 0.000) 0.675 15.670 ( -0.295 0.000 0.000) 0.295 16.685 ( -0.846 0.000 0.000) 0.846 16.763 ( 0.963 -0.000 0.000) 0.963 17.233 ( 0.297 -0.000 0.000) 0.297 19.677 ( 0.084 -0.000 0.000) 0.084 25.251 ( 0.088 -0.000 0.000) 0.088 27.306 ( -0.071 0.000 0.000) 0.071 28.086 ( -0.040 0.000 0.000) 0.040 28.451 ( -0.240 0.000 0.000) 0.240 30.363 ( -0.024 0.000 0.000) 0.024 31.538 ( 0.019 -0.000 0.000) 0.019 ======================= Grid point 24 (17/155) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 10.168 -11.183 0.000) 15.115 0.917 ( 16.241 -9.473 0.000) 18.802 1.339 ( 21.214 -6.755 0.000) 22.264 2.066 ( 3.621 -4.738 0.000) 5.963 2.384 ( 0.682 -4.933 0.000) 4.980 2.464 ( 3.249 -0.989 0.000) 3.396 2.510 ( 0.360 -7.073 0.000) 7.082 2.794 ( 2.517 -2.589 0.000) 3.611 2.971 ( -0.389 -0.551 0.000) 0.674 3.193 ( -0.693 3.844 0.000) 3.906 3.605 ( -5.101 2.971 0.000) 5.903 3.876 ( -3.899 -0.162 0.000) 3.903 3.972 ( 7.921 -3.904 0.000) 8.831 4.119 ( 0.635 3.770 0.000) 3.823 4.406 ( -13.326 0.024 0.000) 13.326 4.893 ( 1.073 4.168 0.000) 4.304 4.985 ( 2.613 8.651 0.000) 9.037 5.152 ( 5.860 6.505 0.000) 8.755 5.793 ( 13.049 14.702 0.000) 19.658 7.041 ( -11.687 -12.902 0.000) 17.408 7.954 ( -0.493 4.936 0.000) 4.960 8.104 ( -3.800 -1.699 0.000) 4.163 8.441 ( 0.771 -3.309 0.000) 3.397 8.767 ( 4.642 1.308 0.000) 4.823 9.685 ( -4.892 -12.978 0.000) 13.869 9.926 ( -26.594 -57.959 0.000) 63.769 10.197 ( 7.991 11.528 0.000) 14.027 10.736 ( 2.918 -8.855 0.000) 9.323 10.871 ( -2.667 -2.544 0.000) 3.686 11.523 ( -2.230 -11.415 0.000) 11.631 11.810 ( -4.173 -12.074 0.000) 12.775 12.406 ( -4.273 0.608 0.000) 4.316 12.616 ( -1.383 -7.080 0.000) 7.213 13.157 ( 4.333 -1.936 0.000) 4.745 13.710 ( -1.730 2.017 0.000) 2.657 14.135 ( -3.427 -2.635 0.000) 4.323 14.491 ( 0.528 -2.148 0.000) 2.211 15.596 ( -0.403 7.309 0.000) 7.320 16.597 ( 4.337 22.627 0.000) 23.039 16.722 ( 0.056 -3.693 0.000) 3.693 17.019 ( 5.058 12.543 0.000) 13.524 19.681 ( -0.253 0.039 0.000) 0.256 25.428 ( -9.220 -14.391 0.000) 17.091 27.322 ( 0.125 -1.818 0.000) 1.822 28.088 ( -0.046 -0.260 0.000) 0.264 28.447 ( -0.021 0.289 0.000) 0.290 30.331 ( 10.459 6.894 0.000) 12.526 31.147 ( 6.363 30.515 0.000) 31.172 ======================= Grid point 25 (18/155) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 4.080 -12.145 0.000) 12.811 1.159 ( 11.567 -6.558 0.000) 13.297 1.502 ( 0.815 -3.010 0.000) 3.118 2.167 ( 0.951 -3.826 0.000) 3.943 2.410 ( 0.984 1.371 0.000) 1.688 2.508 ( -2.241 2.751 0.000) 3.548 2.596 ( 2.580 -6.732 0.000) 7.209 2.933 ( 5.131 -7.840 0.000) 9.370 3.035 ( 2.276 -5.149 0.000) 5.629 3.145 ( 1.682 -0.970 0.000) 1.942 3.439 ( -12.682 7.349 0.000) 14.657 3.868 ( 2.236 -0.076 0.000) 2.238 4.016 ( 1.200 1.575 0.000) 1.980 4.190 ( -5.563 -4.039 0.000) 6.875 4.369 ( 3.759 -4.665 0.000) 5.991 4.742 ( 3.521 14.094 0.000) 14.527 4.815 ( 5.417 10.178 0.000) 11.530 5.037 ( 0.053 6.948 0.000) 6.948 5.713 ( 5.658 4.347 0.000) 7.135 7.230 ( -13.217 -15.051 0.000) 20.031 7.737 ( -2.896 12.738 0.000) 13.063 8.378 ( 4.359 -16.728 0.000) 17.286 8.503 ( -0.903 -9.521 0.000) 9.564 8.752 ( 1.915 1.988 0.000) 2.761 9.869 ( 0.119 -6.406 0.000) 6.407 10.048 ( 3.943 4.264 0.000) 5.808 10.570 ( -10.977 -25.366 0.000) 27.639 10.854 ( -7.608 -7.459 0.000) 10.654 11.019 ( 2.420 -12.232 0.000) 12.470 11.778 ( -1.808 -17.039 0.000) 17.135 12.083 ( -0.971 -18.082 0.000) 18.108 12.358 ( -5.812 0.444 0.000) 5.829 12.751 ( 2.752 -7.036 0.000) 7.555 13.221 ( 6.341 -0.492 0.000) 6.360 13.619 ( -5.781 4.345 0.000) 7.232 14.160 ( -9.403 -4.863 0.000) 10.586 14.537 ( -0.434 -2.343 0.000) 2.382 15.431 ( -0.252 9.368 0.000) 9.372 16.074 ( 6.077 34.398 0.000) 34.930 16.814 ( 0.630 -5.130 0.000) 5.169 16.917 ( 3.033 3.977 0.000) 5.001 19.668 ( -0.124 1.193 0.000) 1.200 25.557 ( -10.089 -7.036 0.000) 12.300 27.370 ( 0.523 -2.993 0.000) 3.039 28.094 ( -0.029 -0.386 0.000) 0.387 28.442 ( 0.495 0.369 0.000) 0.617 30.145 ( 23.220 28.208 0.000) 36.536 30.787 ( -6.435 6.196 0.000) 8.933 ======================= Grid point 26 (19/155) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 6.112 -4.271 0.000) 7.457 1.339 ( -0.110 -9.298 0.000) 9.299 1.489 ( -5.828 0.742 0.000) 5.875 2.194 ( 0.696 2.135 0.000) 2.245 2.378 ( -0.181 1.473 0.000) 1.484 2.460 ( -1.005 -0.500 0.000) 1.123 2.712 ( 1.803 -4.297 0.000) 4.660 3.035 ( -4.009 -2.766 0.000) 4.871 3.158 ( 5.439 -3.451 0.000) 6.441 3.219 ( -6.145 3.093 0.000) 6.880 3.320 ( 3.158 -9.715 0.000) 10.216 3.885 ( 4.119 1.801 0.000) 4.495 4.013 ( -3.911 -4.088 0.000) 5.658 4.097 ( -7.312 5.540 0.000) 9.174 4.465 ( 7.454 12.103 0.000) 14.214 4.624 ( 4.760 -6.240 0.000) 7.848 4.669 ( 4.490 8.768 0.000) 9.851 4.901 ( -1.487 7.217 0.000) 7.368 5.663 ( 1.217 3.495 0.000) 3.701 7.354 ( -5.438 -2.734 0.000) 6.087 7.549 ( -8.154 0.594 0.000) 8.175 8.423 ( 1.932 2.653 0.000) 3.282 8.742 ( 2.115 0.045 0.000) 2.115 9.017 ( 4.064 -30.986 0.000) 31.252 9.827 ( 5.737 7.491 0.000) 9.435 10.129 ( -4.754 -7.250 0.000) 8.670 10.845 ( -0.319 -11.745 0.000) 11.750 10.978 ( -5.107 -10.278 0.000) 11.477 11.257 ( -1.567 -13.191 0.000) 13.284 12.009 ( 0.929 -5.408 0.000) 5.487 12.289 ( -3.407 1.894 0.000) 3.898 12.474 ( -0.457 -23.269 0.000) 23.274 12.924 ( 4.276 -8.739 0.000) 9.729 13.210 ( 8.030 8.046 0.000) 11.367 13.549 ( -5.120 -3.240 0.000) 6.059 14.197 ( -10.067 -6.507 0.000) 11.987 14.546 ( -2.583 1.128 0.000) 2.819 15.291 ( 1.167 5.586 0.000) 5.707 15.478 ( 1.664 32.813 0.000) 32.856 16.843 ( 2.934 2.849 0.000) 4.090 16.928 ( 0.144 -3.080 0.000) 3.084 19.641 ( -0.007 1.539 0.000) 1.539 25.585 ( -6.569 -3.040 0.000) 7.238 27.430 ( 0.711 -2.860 0.000) 2.947 28.101 ( 0.031 -0.367 0.000) 0.369 28.441 ( 0.848 0.349 0.000) 0.917 29.699 ( 13.106 30.179 0.000) 32.902 30.745 ( -4.012 -2.170 0.000) 4.561 ======================= Grid point 27 (20/155) ======================= q-point: ( 0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -6.755 12.545 0.000) 14.249 1.483 ( 3.500 -10.036 0.000) 10.629 1.594 ( -1.141 -11.802 0.000) 11.857 2.093 ( 1.281 9.196 0.000) 9.285 2.405 ( -0.694 -4.761 0.000) 4.811 2.490 ( -0.026 -1.974 0.000) 1.974 2.811 ( 4.143 -4.397 0.000) 6.041 3.003 ( -8.384 -0.206 0.000) 8.387 3.066 ( -2.229 5.254 0.000) 5.707 3.288 ( 3.913 -1.569 0.000) 4.216 3.569 ( 3.906 -13.120 0.000) 13.689 3.824 ( 0.044 6.825 0.000) 6.825 3.971 ( -1.497 2.818 0.000) 3.191 4.130 ( -2.715 -8.937 0.000) 9.340 4.244 ( 2.523 13.741 0.000) 13.970 4.545 ( 1.043 4.639 0.000) 4.755 4.673 ( -2.074 6.679 0.000) 6.994 4.846 ( 3.456 -2.026 0.000) 4.006 5.613 ( 1.316 2.755 0.000) 3.053 7.296 ( 2.617 3.597 0.000) 4.448 7.599 ( -10.435 -8.990 0.000) 13.774 8.395 ( 1.941 1.410 0.000) 2.399 8.773 ( 1.764 -1.812 0.000) 2.529 9.387 ( 3.600 0.211 0.000) 3.606 9.881 ( 2.521 -15.201 0.000) 15.408 10.156 ( -3.931 1.331 0.000) 4.150 11.046 ( 1.439 -9.640 0.000) 9.747 11.117 ( -2.579 -6.707 0.000) 7.186 11.502 ( -1.312 -15.432 0.000) 15.488 11.998 ( 0.512 5.102 0.000) 5.128 12.177 ( -1.308 8.649 0.000) 8.747 12.889 ( 4.428 -14.457 0.000) 15.120 13.026 ( -3.140 -0.761 0.000) 3.231 13.124 ( 3.044 0.539 0.000) 3.091 13.706 ( 1.813 -15.255 0.000) 15.362 14.274 ( -1.983 -5.843 0.000) 6.170 14.408 ( -4.544 13.620 0.000) 14.358 14.960 ( -2.451 19.489 0.000) 19.643 15.256 ( 1.808 0.154 0.000) 1.815 16.817 ( 4.785 2.384 0.000) 5.346 16.954 ( -3.057 -0.413 0.000) 3.085 19.616 ( 0.016 1.051 0.000) 1.051 25.609 ( -2.655 -3.502 0.000) 4.395 27.476 ( 0.575 -1.558 0.000) 1.660 28.108 ( 0.090 -0.246 0.000) 0.262 28.436 ( 0.563 0.820 0.000) 0.995 29.289 ( 3.813 19.859 0.000) 20.222 30.766 ( -1.116 -1.762 0.000) 2.086 ======================= Grid point 28 (21/155) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -6.030 8.951 0.000) 10.793 1.716 ( 3.599 -11.166 0.000) 11.731 1.812 ( -0.758 -12.379 0.000) 12.402 1.893 ( 0.711 12.992 0.000) 13.012 2.489 ( 1.619 0.156 0.000) 1.626 2.525 ( -1.526 -5.005 0.000) 5.233 2.825 ( 0.975 5.137 0.000) 5.229 2.999 ( -0.514 -0.665 0.000) 0.841 3.066 ( -2.095 -9.293 0.000) 9.526 3.257 ( 0.534 6.340 0.000) 6.362 3.629 ( 0.271 10.851 0.000) 10.854 3.853 ( 0.246 -12.798 0.000) 12.800 3.985 ( 1.766 6.228 0.000) 6.474 4.004 ( 0.417 1.951 0.000) 1.995 4.210 ( -1.886 0.775 0.000) 2.039 4.512 ( -0.910 6.810 0.000) 6.871 4.587 ( -1.417 -8.940 0.000) 9.052 4.873 ( 1.446 1.567 0.000) 2.132 5.572 ( 0.896 2.945 0.000) 3.078 7.320 ( 3.417 -4.209 0.000) 5.422 7.695 ( -5.734 -7.331 0.000) 9.307 8.394 ( 2.017 0.526 0.000) 2.084 8.823 ( 1.782 -2.145 0.000) 2.789 9.226 ( -1.957 13.283 0.000) 13.427 10.024 ( -0.671 9.990 0.000) 10.013 10.206 ( 0.960 -12.888 0.000) 12.923 11.137 ( 0.157 1.815 0.000) 1.822 11.208 ( -0.014 -4.437 0.000) 4.437 11.769 ( 0.233 -6.714 0.000) 6.718 11.937 ( 2.173 -2.086 0.000) 3.013 11.979 ( -2.863 6.468 0.000) 7.073 12.867 ( -0.123 6.068 0.000) 6.070 13.053 ( 1.150 6.514 0.000) 6.615 13.253 ( -0.680 -12.302 0.000) 12.321 13.889 ( 0.327 31.157 0.000) 31.159 14.128 ( -0.954 -24.397 0.000) 24.416 14.427 ( 2.655 -7.134 0.000) 7.612 14.786 ( -4.102 0.106 0.000) 4.104 15.291 ( 1.736 -2.226 0.000) 2.823 16.822 ( 5.688 1.074 0.000) 5.788 16.909 ( -5.404 1.728 0.000) 5.673 19.606 ( 0.004 0.022 0.000) 0.022 25.690 ( 0.123 -6.324 0.000) 6.325 27.491 ( 0.304 0.291 0.000) 0.421 28.111 ( 0.091 -0.045 0.000) 0.101 28.416 ( -0.033 1.447 0.000) 1.447 29.040 ( -0.494 8.738 0.000) 8.752 30.795 ( 0.017 -1.906 0.000) 1.906 ======================= Grid point 29 (22/155) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -0.000 -3.011 0.000) 3.011 1.625 ( 0.000 15.775 0.000) 15.775 1.906 ( -0.000 -6.644 0.000) 6.644 2.024 ( -0.000 -10.629 0.000) 10.629 2.456 ( 0.000 2.846 0.000) 2.846 2.564 ( 0.000 1.399 0.000) 1.399 2.713 ( 0.000 6.356 0.000) 6.356 3.023 ( 0.000 13.733 0.000) 13.733 3.122 ( -0.000 -11.236 0.000) 11.236 3.243 ( -0.000 -4.281 0.000) 4.281 3.421 ( 0.000 10.019 0.000) 10.019 3.774 ( 0.000 9.085 0.000) 9.085 4.072 ( -0.000 -9.319 0.000) 9.319 4.142 ( 0.000 4.459 0.000) 4.459 4.150 ( -0.000 -9.793 0.000) 9.793 4.449 ( -0.000 -2.071 0.000) 2.071 4.784 ( -0.000 -10.618 0.000) 10.618 4.821 ( 0.000 3.998 0.000) 3.998 5.512 ( 0.000 3.693 0.000) 3.693 7.479 ( -0.000 -11.057 0.000) 11.057 7.796 ( -0.000 -6.008 0.000) 6.008 8.369 ( 0.000 4.494 0.000) 4.494 8.859 ( -0.000 -0.216 0.000) 0.216 8.944 ( 0.000 15.317 0.000) 15.317 9.797 ( 0.000 12.644 0.000) 12.644 10.339 ( -0.000 -1.156 0.000) 1.156 11.045 ( 0.000 6.805 0.000) 6.805 11.199 ( 0.000 5.934 0.000) 5.934 11.752 ( 0.000 2.020 0.000) 2.020 11.771 ( 0.000 8.147 0.000) 8.147 12.276 ( -0.000 -20.121 0.000) 20.121 12.751 ( 0.000 7.478 0.000) 7.478 12.893 ( 0.000 9.624 0.000) 9.624 13.270 ( 0.000 32.600 0.000) 32.600 13.461 ( -0.000 -10.525 0.000) 10.525 14.495 ( -0.000 -5.536 0.000) 5.536 14.659 ( -0.000 -24.308 0.000) 24.308 14.825 ( -0.000 -4.836 0.000) 4.836 15.350 ( -0.000 -3.578 0.000) 3.578 16.840 ( 0.000 1.993 0.000) 1.993 16.844 ( 0.000 0.235 0.000) 0.235 19.616 ( -0.000 -1.077 0.000) 1.077 25.836 ( -0.000 -9.208 0.000) 9.208 27.470 ( 0.000 2.006 0.000) 2.006 28.110 ( 0.000 0.196 0.000) 0.196 28.395 ( 0.000 0.546 0.000) 0.546 28.949 ( 0.000 1.444 0.000) 1.444 30.836 ( -0.000 -2.543 0.000) 2.543 ======================= Grid point 34 (23/155) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 12.222 -0.000 0.000) 12.222 0.883 ( 11.901 -0.000 0.000) 11.901 1.499 ( 30.222 -0.000 0.000) 30.222 2.051 ( 5.190 -0.000 0.000) 5.190 2.325 ( 0.068 -0.000 0.000) 0.068 2.449 ( 7.134 -0.000 0.000) 7.134 2.496 ( 5.642 -0.000 0.000) 5.642 2.772 ( -0.409 0.000 0.000) 0.409 2.981 ( -0.085 0.000 0.000) 0.085 3.204 ( -3.277 0.000 0.000) 3.277 3.656 ( 2.835 -0.000 0.000) 2.835 3.775 ( -11.179 0.000 0.000) 11.179 3.992 ( 5.853 -0.000 0.000) 5.853 4.173 ( -4.457 0.000 0.000) 4.457 4.315 ( -11.122 0.000 0.000) 11.122 4.942 ( 2.067 -0.000 0.000) 2.067 5.054 ( 0.334 -0.000 0.000) 0.334 5.274 ( 10.326 -0.000 0.000) 10.326 6.102 ( 4.468 -0.000 0.000) 4.468 6.850 ( -10.066 0.000 0.000) 10.066 7.982 ( -3.778 0.000 0.000) 3.778 8.201 ( 0.912 -0.000 0.000) 0.912 8.360 ( -2.804 0.000 0.000) 2.804 8.824 ( 5.217 -0.000 0.000) 5.217 8.944 ( -4.156 0.000 0.000) 4.156 9.581 ( -4.360 0.000 0.000) 4.360 10.379 ( 6.103 -0.000 0.000) 6.103 10.691 ( 8.412 -0.000 0.000) 8.412 10.807 ( -6.737 0.000 0.000) 6.737 11.412 ( -0.256 0.000 0.000) 0.256 11.652 ( -5.752 0.000 0.000) 5.752 12.424 ( 0.744 -0.000 0.000) 0.744 12.496 ( -5.286 0.000 0.000) 5.286 13.167 ( 4.159 -0.000 0.000) 4.159 13.744 ( 2.022 -0.000 0.000) 2.022 14.118 ( 0.219 -0.000 0.000) 0.219 14.474 ( 0.676 -0.000 0.000) 0.676 15.666 ( -0.294 0.000 0.000) 0.294 16.678 ( -0.155 0.000 0.000) 0.155 16.771 ( 0.290 -0.000 0.000) 0.290 17.237 ( 0.297 -0.000 0.000) 0.297 19.678 ( 0.084 -0.000 0.000) 0.084 25.252 ( 0.090 -0.000 0.000) 0.090 27.305 ( -0.070 0.000 0.000) 0.070 28.086 ( -0.040 0.000 0.000) 0.040 28.448 ( -0.241 0.000 0.000) 0.241 30.363 ( -0.024 0.000 0.000) 0.024 31.538 ( 0.019 -0.000 0.000) 0.019 ======================= Grid point 35 (24/155) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 6.695 -7.015 0.000) 9.697 1.081 ( 8.539 -10.676 0.000) 13.671 1.596 ( 16.882 6.820 0.000) 18.207 2.112 ( 3.055 -2.800 0.000) 4.144 2.391 ( 0.523 -4.749 0.000) 4.778 2.497 ( 2.738 -1.027 0.000) 2.924 2.553 ( 3.628 -0.658 0.000) 3.687 2.838 ( 4.523 -7.052 0.000) 8.378 2.970 ( 0.190 -0.497 0.000) 0.532 3.172 ( -2.162 1.392 0.000) 2.572 3.506 ( -9.942 9.210 0.000) 13.553 3.828 ( -1.549 -4.899 0.000) 5.138 4.057 ( 1.242 -2.937 0.000) 3.188 4.126 ( 1.184 2.828 0.000) 3.066 4.274 ( -4.975 -4.511 0.000) 6.716 4.910 ( 1.246 4.839 0.000) 4.997 5.019 ( 2.317 4.553 0.000) 5.108 5.235 ( 6.237 11.216 0.000) 12.834 5.924 ( 6.904 14.532 0.000) 16.089 6.893 ( -9.896 -11.411 0.000) 15.104 7.956 ( 0.737 5.059 0.000) 5.112 8.053 ( -3.768 -2.361 0.000) 4.446 8.448 ( 0.279 -4.631 0.000) 4.640 8.819 ( 3.114 3.023 0.000) 4.340 9.603 ( -7.564 -35.110 0.000) 35.915 9.691 ( -9.794 -30.457 0.000) 31.993 10.311 ( 8.909 9.945 0.000) 13.351 10.723 ( -4.800 -2.128 0.000) 5.250 10.878 ( 3.351 -7.651 0.000) 8.352 11.492 ( -2.276 -9.788 0.000) 10.049 11.764 ( -2.594 -14.356 0.000) 14.588 12.354 ( -3.504 3.043 0.000) 4.641 12.601 ( -0.772 -9.481 0.000) 9.512 13.203 ( 2.697 -1.627 0.000) 3.149 13.707 ( 0.587 5.230 0.000) 5.263 14.105 ( -1.449 1.106 0.000) 1.823 14.498 ( 0.469 -1.875 0.000) 1.933 15.591 ( -0.317 7.384 0.000) 7.391 16.634 ( 1.786 18.151 0.000) 18.239 16.724 ( 0.203 -4.090 0.000) 4.095 17.066 ( 2.233 12.019 0.000) 12.225 19.679 ( -0.063 0.160 0.000) 0.172 25.351 ( -3.388 -8.826 0.000) 9.454 27.324 ( 0.134 -2.079 0.000) 2.083 28.088 ( -0.030 -0.261 0.000) 0.263 28.447 ( -0.068 0.013 0.000) 0.069 30.411 ( 3.178 -3.635 0.000) 4.829 31.209 ( 3.154 31.400 0.000) 31.558 ======================= Grid point 36 (25/155) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 1.576 -10.256 0.000) 10.377 1.294 ( 7.648 -5.523 0.000) 9.434 1.515 ( 1.141 6.703 0.000) 6.799 2.177 ( 0.571 -2.812 0.000) 2.869 2.426 ( 1.230 0.666 0.000) 1.399 2.481 ( -1.738 4.277 0.000) 4.617 2.623 ( 1.370 -6.313 0.000) 6.460 2.964 ( 0.563 -3.041 0.000) 3.092 3.101 ( 6.170 -9.051 0.000) 10.954 3.160 ( 0.604 -2.357 0.000) 2.433 3.280 ( -10.494 6.038 0.000) 12.107 3.887 ( 1.804 -2.125 0.000) 2.788 4.025 ( -2.750 3.432 0.000) 4.398 4.098 ( -3.840 0.972 0.000) 3.962 4.456 ( 6.381 -11.498 0.000) 13.150 4.774 ( 1.488 11.235 0.000) 11.333 4.908 ( 7.418 11.746 0.000) 13.892 5.029 ( -1.508 9.536 0.000) 9.654 5.759 ( 1.651 7.336 0.000) 7.519 7.089 ( -7.676 -15.036 0.000) 16.882 7.707 ( -1.602 14.192 0.000) 14.282 8.418 ( 1.950 -25.077 0.000) 25.153 8.487 ( -1.304 -4.416 0.000) 4.605 8.779 ( 1.730 2.335 0.000) 2.906 9.861 ( -0.799 -12.492 0.000) 12.517 10.090 ( 1.869 7.693 0.000) 7.917 10.470 ( -3.809 -29.866 0.000) 30.108 10.768 ( -5.163 -6.718 0.000) 8.472 11.056 ( 2.438 -9.314 0.000) 9.628 11.753 ( -1.623 -19.031 0.000) 19.100 12.073 ( -0.400 -19.059 0.000) 19.063 12.296 ( -3.477 0.795 0.000) 3.567 12.784 ( 2.082 -9.833 0.000) 10.051 13.274 ( 1.974 -4.714 0.000) 5.110 13.566 ( -2.317 9.130 0.000) 9.419 14.073 ( -4.048 -0.457 0.000) 4.074 14.534 ( -0.099 -1.397 0.000) 1.401 15.429 ( -0.117 9.017 0.000) 9.018 16.130 ( 2.680 34.610 0.000) 34.714 16.821 ( 0.390 -5.280 0.000) 5.294 16.948 ( 1.662 3.886 0.000) 4.227 19.667 ( -0.038 1.144 0.000) 1.145 25.465 ( -4.204 -6.056 0.000) 7.372 27.377 ( 0.394 -3.222 0.000) 3.246 28.094 ( -0.001 -0.406 0.000) 0.406 28.447 ( 0.235 -0.014 0.000) 0.235 30.395 ( 15.266 25.354 0.000) 29.595 30.691 ( -8.123 8.650 0.000) 11.866 ======================= Grid point 37 (26/155) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -1.774 -3.868 0.000) 4.255 1.386 ( 5.015 -2.343 0.000) 5.536 1.439 ( -3.006 -1.390 0.000) 3.312 2.202 ( 0.393 1.622 0.000) 1.669 2.375 ( -0.115 2.533 0.000) 2.536 2.453 ( -0.150 -1.560 0.000) 1.567 2.733 ( 1.082 -5.301 0.000) 5.410 2.980 ( -3.228 1.091 0.000) 3.408 3.121 ( -2.989 2.508 0.000) 3.902 3.246 ( 2.634 -5.296 0.000) 5.915 3.358 ( 1.911 -11.190 0.000) 11.352 3.938 ( 4.092 0.841 0.000) 4.178 3.975 ( -1.666 -2.376 0.000) 2.902 4.009 ( -5.570 4.397 0.000) 7.097 4.530 ( 2.352 15.096 0.000) 15.278 4.680 ( 2.779 -6.014 0.000) 6.625 4.721 ( 2.406 10.674 0.000) 10.942 4.885 ( -0.688 5.767 0.000) 5.808 5.667 ( -0.101 3.335 0.000) 3.336 7.307 ( -1.719 -11.707 0.000) 11.832 7.471 ( -3.198 9.043 0.000) 9.592 8.434 ( 0.169 2.338 0.000) 2.344 8.767 ( 1.175 0.103 0.000) 1.179 9.054 ( 1.419 -33.166 0.000) 33.196 9.890 ( 3.147 9.956 0.000) 10.442 10.074 ( -2.850 -7.609 0.000) 8.125 10.859 ( 2.525 -12.761 0.000) 13.008 10.909 ( -4.756 -12.918 0.000) 13.766 11.249 ( -0.082 -11.471 0.000) 11.471 12.014 ( 0.058 -6.203 0.000) 6.204 12.258 ( -1.249 1.899 0.000) 2.273 12.471 ( -0.040 -24.940 0.000) 24.940 12.970 ( 2.165 -7.416 0.000) 7.725 13.299 ( 4.944 11.207 0.000) 12.249 13.477 ( -4.711 -9.670 0.000) 10.756 14.105 ( -3.566 -6.590 0.000) 7.493 14.523 ( -0.829 2.864 0.000) 2.982 15.300 ( 0.325 4.492 0.000) 4.503 15.494 ( 0.661 34.905 0.000) 34.911 16.884 ( 2.969 0.729 0.000) 3.058 16.917 ( -1.776 -0.872 0.000) 1.978 19.641 ( 0.002 1.517 0.000) 1.517 25.528 ( -2.111 -3.719 0.000) 4.276 27.437 ( 0.318 -2.916 0.000) 2.933 28.102 ( 0.023 -0.400 0.000) 0.401 28.448 ( 0.299 0.177 0.000) 0.347 29.818 ( 4.614 34.269 0.000) 34.578 30.705 ( -1.705 -4.228 0.000) 4.558 ======================= Grid point 38 (27/155) ======================= q-point: ( 0.70 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 0.000 13.959 0.000) 13.959 1.519 ( -0.000 -10.246 0.000) 10.246 1.583 ( -0.000 -11.953 0.000) 11.953 2.102 ( 0.000 9.079 0.000) 9.079 2.399 ( -0.000 -5.038 0.000) 5.038 2.492 ( -0.000 -1.641 0.000) 1.641 2.868 ( -0.000 -9.303 0.000) 9.303 2.913 ( 0.000 3.809 0.000) 3.809 3.051 ( 0.000 4.519 0.000) 4.519 3.315 ( -0.000 -0.452 0.000) 0.452 3.597 ( -0.000 -13.989 0.000) 13.989 3.825 ( 0.000 9.910 0.000) 9.910 3.959 ( -0.000 -0.562 0.000) 0.562 4.110 ( -0.000 -9.117 0.000) 9.117 4.261 ( 0.000 14.552 0.000) 14.552 4.554 ( 0.000 6.091 0.000) 6.091 4.657 ( 0.000 7.845 0.000) 7.845 4.871 ( -0.000 -2.083 0.000) 2.083 5.622 ( 0.000 2.206 0.000) 2.206 7.326 ( 0.000 3.768 0.000) 3.768 7.516 ( -0.000 -10.128 0.000) 10.128 8.406 ( 0.000 0.713 0.000) 0.713 8.787 ( -0.000 -1.800 0.000) 1.800 9.411 ( 0.000 1.786 0.000) 1.786 9.900 ( -0.000 -15.690 0.000) 15.690 10.128 ( 0.000 1.245 0.000) 1.245 11.063 ( -0.000 -10.038 0.000) 10.038 11.092 ( -0.000 -6.894 0.000) 6.894 11.493 ( -0.000 -15.599 0.000) 15.599 12.001 ( 0.000 5.175 0.000) 5.175 12.167 ( 0.000 8.231 0.000) 8.231 12.929 ( -0.000 -22.573 0.000) 22.573 12.995 ( 0.000 6.254 0.000) 6.254 13.147 ( 0.000 4.167 0.000) 4.167 13.717 ( -0.000 -17.419 0.000) 17.419 14.264 ( -0.000 -10.647 0.000) 10.647 14.374 ( 0.000 16.051 0.000) 16.051 14.942 ( 0.000 21.631 0.000) 21.631 15.269 ( -0.000 -0.331 0.000) 0.331 16.868 ( 0.000 1.511 0.000) 1.511 16.916 ( 0.000 0.804 0.000) 0.804 19.616 ( 0.000 1.052 0.000) 1.052 25.592 ( -0.000 -4.326 0.000) 4.326 27.480 ( -0.000 -1.541 0.000) 1.541 28.108 ( -0.000 -0.270 0.000) 0.270 28.440 ( 0.000 0.947 0.000) 0.947 29.314 ( 0.000 21.613 0.000) 21.613 30.758 ( -0.000 -2.283 0.000) 2.283 ======================= Grid point 46 (28/155) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 6.104 -0.000 0.000) 6.104 0.993 ( 5.166 -0.000 0.000) 5.166 1.820 ( 17.310 -0.000 0.000) 17.310 2.111 ( 3.478 -0.000 0.000) 3.478 2.327 ( 0.161 -0.000 0.000) 0.161 2.543 ( 6.658 -0.000 0.000) 6.658 2.584 ( 7.173 -0.000 0.000) 7.173 2.754 ( -2.289 0.000 0.000) 2.289 2.977 ( -0.644 0.000 0.000) 0.644 3.165 ( -2.235 0.000 0.000) 2.235 3.607 ( -12.347 0.000 0.000) 12.347 3.695 ( 2.463 -0.000 0.000) 2.463 4.066 ( 4.649 -0.000 0.000) 4.649 4.116 ( -3.467 0.000 0.000) 3.467 4.206 ( -5.433 0.000 0.000) 5.433 4.961 ( 0.893 -0.000 0.000) 0.893 5.059 ( 0.460 -0.000 0.000) 0.460 5.396 ( 7.253 -0.000 0.000) 7.253 6.143 ( 1.772 -0.000 0.000) 1.772 6.736 ( -6.496 0.000 0.000) 6.496 7.948 ( -1.516 0.000 0.000) 1.516 8.211 ( 0.574 -0.000 0.000) 0.574 8.330 ( -1.657 0.000 0.000) 1.657 8.877 ( 2.726 -0.000 0.000) 2.726 8.898 ( -2.612 0.000 0.000) 2.612 9.525 ( -3.512 0.000 0.000) 3.512 10.476 ( 8.324 -0.000 0.000) 8.324 10.707 ( -8.283 0.000 0.000) 8.283 10.784 ( 5.260 -0.000 0.000) 5.260 11.409 ( -0.154 0.000 0.000) 0.154 11.592 ( -3.239 0.000 0.000) 3.239 12.431 ( 0.382 -0.000 0.000) 0.382 12.436 ( -3.433 0.000 0.000) 3.433 13.211 ( 2.373 -0.000 0.000) 2.373 13.766 ( 1.194 -0.000 0.000) 1.194 14.120 ( 0.129 -0.000 0.000) 0.129 14.482 ( 0.419 -0.000 0.000) 0.419 15.663 ( -0.181 0.000 0.000) 0.181 16.679 ( 0.178 -0.000 0.000) 0.178 16.772 ( -0.085 0.000 0.000) 0.085 17.241 ( 0.183 -0.000 0.000) 0.183 19.679 ( 0.052 -0.000 0.000) 0.052 25.253 ( 0.056 -0.000 0.000) 0.056 27.304 ( -0.043 0.000 0.000) 0.043 28.085 ( -0.024 0.000 0.000) 0.024 28.445 ( -0.150 0.000 0.000) 0.150 30.363 ( -0.015 0.000 0.000) 0.015 31.539 ( 0.012 -0.000 0.000) 0.012 ======================= Grid point 47 (29/155) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 2.289 -5.103 0.000) 5.593 1.151 ( 2.403 -11.284 0.000) 11.537 1.758 ( 6.720 13.246 0.000) 14.854 2.141 ( 1.157 -1.381 0.000) 1.802 2.397 ( 0.256 -4.665 0.000) 4.672 2.539 ( 3.289 1.379 0.000) 3.566 2.571 ( -1.027 2.573 0.000) 2.770 2.913 ( 5.677 -10.973 0.000) 12.354 2.968 ( -1.010 -1.424 0.000) 1.746 3.148 ( -1.110 0.354 0.000) 1.165 3.378 ( -7.003 10.991 0.000) 13.032 3.828 ( 0.720 -6.752 0.000) 6.791 4.017 ( -3.235 2.088 0.000) 3.851 4.144 ( 0.457 2.533 0.000) 2.573 4.267 ( 1.444 -11.184 0.000) 11.277 4.921 ( 0.434 4.904 0.000) 4.923 5.041 ( 0.907 2.358 0.000) 2.526 5.299 ( 2.746 13.888 0.000) 14.157 5.981 ( 1.963 14.317 0.000) 14.451 6.799 ( -3.793 -10.727 0.000) 11.378 7.973 ( 1.820 7.011 0.000) 7.243 8.008 ( -2.878 -4.325 0.000) 5.195 8.449 ( -0.003 -5.173 0.000) 5.173 8.847 ( 1.081 3.764 0.000) 3.916 9.522 ( -3.394 -50.537 0.000) 50.651 9.620 ( -2.327 -12.289 0.000) 12.508 10.416 ( 5.766 11.035 0.000) 12.451 10.649 ( -4.721 -3.032 0.000) 5.610 10.919 ( 1.928 -7.861 0.000) 8.093 11.469 ( -0.968 -8.753 0.000) 8.807 11.742 ( -0.794 -15.542 0.000) 15.562 12.319 ( -1.479 3.895 0.000) 4.167 12.595 ( -0.186 -10.525 0.000) 10.526 13.228 ( 0.930 -0.926 0.000) 1.313 13.715 ( 0.416 6.159 0.000) 6.173 14.093 ( -0.463 2.644 0.000) 2.684 14.502 ( 0.183 -1.746 0.000) 1.755 15.588 ( -0.120 7.420 0.000) 7.421 16.649 ( 0.543 16.664 0.000) 16.673 16.726 ( 0.094 -4.514 0.000) 4.515 17.084 ( 0.637 11.464 0.000) 11.482 19.679 ( -0.008 0.217 0.000) 0.217 25.325 ( -0.878 -6.608 0.000) 6.666 27.326 ( 0.058 -2.266 0.000) 2.267 28.088 ( -0.009 -0.268 0.000) 0.269 28.446 ( -0.038 -0.124 0.000) 0.130 30.435 ( 0.732 -6.957 0.000) 6.995 31.235 ( 0.920 30.764 0.000) 30.778 ======================= Grid point 48 (30/155) ======================= q-point: ( 0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -0.000 -9.072 0.000) 9.072 1.345 ( -0.000 -7.442 0.000) 7.442 1.525 ( 0.000 11.813 0.000) 11.813 2.181 ( -0.000 -2.549 0.000) 2.549 2.437 ( -0.000 -0.592 0.000) 0.592 2.467 ( 0.000 5.915 0.000) 5.915 2.632 ( -0.000 -6.187 0.000) 6.187 2.966 ( -0.000 -1.347 0.000) 1.347 3.163 ( -0.000 -3.843 0.000) 3.843 3.170 ( -0.000 -10.592 0.000) 10.592 3.182 ( 0.000 6.855 0.000) 6.855 3.914 ( -0.000 -2.308 0.000) 2.308 3.973 ( 0.000 0.954 0.000) 0.954 4.089 ( 0.000 4.149 0.000) 4.149 4.502 ( -0.000 -12.459 0.000) 12.459 4.784 ( 0.000 10.617 0.000) 10.617 4.983 ( 0.000 4.658 0.000) 4.658 4.996 ( 0.000 17.439 0.000) 17.439 5.768 ( 0.000 8.530 0.000) 8.530 7.037 ( -0.000 -15.203 0.000) 15.203 7.696 ( 0.000 14.805 0.000) 14.805 8.431 ( -0.000 -31.916 0.000) 31.916 8.476 ( 0.000 1.485 0.000) 1.485 8.791 ( 0.000 2.219 0.000) 2.219 9.855 ( -0.000 -13.781 0.000) 13.781 10.100 ( 0.000 5.401 0.000) 5.401 10.451 ( -0.000 -27.964 0.000) 27.964 10.731 ( -0.000 -6.706 0.000) 6.706 11.073 ( -0.000 -8.532 0.000) 8.532 11.742 ( -0.000 -19.675 0.000) 19.675 12.071 ( -0.000 -19.554 0.000) 19.554 12.272 ( 0.000 1.026 0.000) 1.026 12.799 ( -0.000 -11.232 0.000) 11.232 13.285 ( -0.000 -6.048 0.000) 6.048 13.552 ( 0.000 11.490 0.000) 11.490 14.047 ( 0.000 0.948 0.000) 0.948 14.533 ( -0.000 -1.090 0.000) 1.090 15.428 ( 0.000 8.875 0.000) 8.875 16.148 ( 0.000 34.597 0.000) 34.597 16.824 ( -0.000 -5.370 0.000) 5.370 16.959 ( 0.000 3.807 0.000) 3.807 19.666 ( 0.000 1.133 0.000) 1.133 25.438 ( -0.000 -5.601 0.000) 5.601 27.379 ( -0.000 -3.324 0.000) 3.324 28.094 ( -0.000 -0.417 0.000) 0.417 28.449 ( -0.000 -0.155 0.000) 0.155 30.547 ( 0.000 41.399 0.000) 41.399 30.585 ( -0.000 -7.792 0.000) 7.792 ======================= Grid point 59 (31/155) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 0.000 -0.000 0.000) 0.000 1.026 ( 0.000 -0.000 0.000) 0.000 1.936 ( 0.000 -0.000 0.000) 0.000 2.135 ( 0.000 -0.000 0.000) 0.000 2.328 ( 0.000 -0.000 0.000) 0.000 2.598 ( 0.000 -0.000 0.000) 0.000 2.645 ( 0.000 -0.000 0.000) 0.000 2.729 ( 0.000 -0.000 0.000) 0.000 2.970 ( 0.000 -0.000 0.000) 0.000 3.150 ( 0.000 -0.000 0.000) 0.000 3.512 ( 0.000 -0.000 0.000) 0.000 3.712 ( 0.000 -0.000 0.000) 0.000 4.092 ( 0.000 -0.000 0.000) 0.000 4.101 ( 0.000 -0.000 0.000) 0.000 4.169 ( 0.000 -0.000 0.000) 0.000 4.967 ( 0.000 -0.000 0.000) 0.000 5.063 ( 0.000 -0.000 0.000) 0.000 5.446 ( 0.000 -0.000 0.000) 0.000 6.153 ( 0.000 -0.000 0.000) 0.000 6.692 ( 0.000 -0.000 0.000) 0.000 7.939 ( 0.000 -0.000 0.000) 0.000 8.215 ( 0.000 -0.000 0.000) 0.000 8.319 ( 0.000 -0.000 0.000) 0.000 8.880 ( 0.000 -0.000 0.000) 0.000 8.895 ( 0.000 -0.000 0.000) 0.000 9.500 ( 0.000 -0.000 0.000) 0.000 10.591 ( -0.000 0.000 0.000) 0.000 10.593 ( 0.000 -0.000 0.000) 0.000 10.820 ( 0.000 -0.000 0.000) 0.000 11.408 ( 0.000 -0.000 0.000) 0.000 11.570 ( 0.000 -0.000 0.000) 0.000 12.413 ( 0.000 -0.000 0.000) 0.000 12.434 ( 0.000 -0.000 0.000) 0.000 13.227 ( 0.000 -0.000 0.000) 0.000 13.774 ( 0.000 -0.000 0.000) 0.000 14.121 ( 0.000 -0.000 0.000) 0.000 14.485 ( 0.000 -0.000 0.000) 0.000 15.661 ( 0.000 -0.000 0.000) 0.000 16.681 ( 0.000 -0.000 0.000) 0.000 16.771 ( 0.000 -0.000 0.000) 0.000 17.242 ( 0.000 -0.000 0.000) 0.000 19.679 ( 0.000 -0.000 0.000) 0.000 25.253 ( 0.000 -0.000 0.000) 0.000 27.304 ( 0.000 -0.000 0.000) 0.000 28.085 ( 0.000 -0.000 0.000) 0.000 28.444 ( 0.000 -0.000 0.000) 0.000 30.363 ( 0.000 -0.000 0.000) 0.000 31.539 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 107 (32/155) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( 0.000 0.000 18.115) 18.115 0.547 ( 0.000 0.000 25.363) 25.363 0.907 ( 0.000 0.000 38.431) 38.431 1.915 ( 0.000 0.000 -1.409) 1.409 2.385 ( 0.000 0.000 8.742) 8.742 2.391 ( 0.000 0.000 3.843) 3.843 2.762 ( 0.000 0.000 0.331) 0.331 2.951 ( 0.000 0.000 -3.167) 3.167 3.191 ( 0.000 0.000 -3.729) 3.729 3.394 ( 0.000 0.000 50.376) 50.376 3.432 ( 0.000 0.000 -2.693) 2.693 3.766 ( 0.000 0.000 6.424) 6.424 4.166 ( 0.000 0.000 0.173) 0.173 4.472 ( 0.000 0.000 -1.203) 1.203 4.626 ( 0.000 0.000 -1.002) 1.002 4.910 ( 0.000 0.000 -2.118) 2.118 4.951 ( 0.000 0.000 -4.699) 4.699 5.123 ( 0.000 0.000 -3.489) 3.489 5.418 ( 0.000 0.000 2.584) 2.584 7.344 ( 0.000 0.000 3.239) 3.239 8.008 ( 0.000 0.000 2.808) 2.808 8.133 ( 0.000 0.000 -3.861) 3.861 8.647 ( 0.000 0.000 1.293) 1.293 8.799 ( 0.000 0.000 30.002) 30.002 9.003 ( 0.000 0.000 -5.755) 5.755 9.670 ( 0.000 0.000 -0.209) 0.209 10.347 ( 0.000 0.000 3.968) 3.968 10.877 ( 0.000 0.000 -1.882) 1.882 11.442 ( 0.000 0.000 5.896) 5.896 12.011 ( 0.000 0.000 13.132) 13.132 12.334 ( 0.000 0.000 13.984) 13.984 12.338 ( 0.000 0.000 -4.852) 4.852 12.997 ( 0.000 0.000 1.160) 1.160 13.002 ( 0.000 0.000 -2.790) 2.790 13.940 ( 0.000 0.000 -0.354) 0.354 14.393 ( 0.000 0.000 -6.047) 6.047 15.271 ( 0.000 0.000 -20.335) 20.335 15.803 ( 0.000 0.000 -3.290) 3.290 16.134 ( 0.000 0.000 20.456) 20.456 16.628 ( 0.000 0.000 -9.356) 9.356 16.681 ( 0.000 0.000 -3.540) 3.540 19.562 ( 0.000 0.000 -10.710) 10.710 25.315 ( 0.000 0.000 6.047) 6.047 27.192 ( 0.000 0.000 -10.840) 10.840 28.465 ( 0.000 0.000 0.942) 0.942 29.054 ( 0.000 0.000 -3.752) 3.752 29.388 ( 0.000 0.000 10.598) 10.598 30.367 ( 0.000 0.000 0.276) 0.276 ======================= Grid point 108 (33/155) ======================= q-point: ( 0.10 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 4.183 -10.699 14.371) 18.398 0.638 ( 10.267 -12.836 12.225) 20.485 1.204 ( 2.448 -25.858 27.313) 37.691 1.968 ( 1.107 -5.181 -3.258) 6.219 2.402 ( -0.762 -1.050 2.407) 2.734 2.480 ( 1.202 -5.733 1.925) 6.166 2.785 ( 1.653 -1.716 2.544) 3.486 2.945 ( -2.740 0.017 0.470) 2.780 3.060 ( 2.702 9.040 -3.475) 10.055 3.313 ( -2.501 4.000 47.527) 47.760 3.560 ( 2.956 -6.858 -3.456) 8.228 3.758 ( -1.455 -0.015 5.697) 5.880 4.068 ( 0.915 4.565 6.515) 8.008 4.306 ( -6.198 10.586 2.059) 12.439 4.618 ( -1.790 2.033 -1.771) 3.237 4.854 ( -1.433 4.528 -2.928) 5.580 4.997 ( 3.723 -0.292 -4.089) 5.538 5.121 ( -10.593 2.787 2.889) 11.328 5.284 ( 13.175 6.065 0.007) 14.504 7.393 ( -0.529 -11.336 7.571) 13.642 8.027 ( 1.074 -0.732 2.609) 2.915 8.185 ( -0.328 0.204 1.030) 1.100 8.642 ( -2.921 -3.558 3.141) 5.573 8.783 ( 3.514 1.492 27.261) 27.527 9.649 ( -0.600 -38.039 -24.412) 45.202 9.768 ( -0.035 -9.911 -1.263) 9.991 10.316 ( -0.523 -1.976 1.828) 2.742 10.883 ( -0.856 -0.968 -0.533) 1.398 11.553 ( -1.913 -10.046 7.145) 12.475 11.946 ( -9.932 6.107 16.145) 19.915 12.108 ( -1.737 8.477 22.338) 23.956 12.414 ( -1.794 -3.502 -6.899) 7.942 12.860 ( -5.901 5.485 6.623) 10.429 12.988 ( 5.636 3.045 0.597) 6.434 13.890 ( -3.081 3.743 -0.443) 4.869 14.410 ( -0.709 -1.795 -5.226) 5.571 14.946 ( -33.486 7.579 2.198) 34.403 15.593 ( -15.146 4.823 2.061) 16.028 16.040 ( 35.704 23.371 5.019) 42.967 16.680 ( -2.335 -2.478 -6.033) 6.928 16.731 ( 5.690 -2.155 -6.058) 8.586 19.589 ( -0.334 -1.088 -10.551) 10.612 25.722 ( -8.956 -26.500 -14.674) 31.588 27.139 ( -2.946 2.513 -10.926) 11.592 28.455 ( -0.153 1.006 0.961) 1.399 28.769 ( -22.363 10.423 28.886) 37.989 29.280 ( 48.930 20.591 -0.812) 53.092 30.655 ( 0.861 -12.760 -14.715) 19.496 ======================= Grid point 109 (34/155) ======================= q-point: ( 0.20 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 5.979 -10.321 4.265) 12.668 0.979 ( 6.673 -17.147 3.145) 18.667 1.668 ( -4.726 -21.630 13.833) 26.107 2.102 ( 2.570 -7.247 -5.397) 9.394 2.401 ( -0.107 0.581 -1.994) 2.080 2.532 ( -0.441 0.053 1.169) 1.250 2.773 ( 2.590 3.981 4.097) 6.273 2.952 ( -0.492 -2.325 2.107) 3.175 3.054 ( 5.955 -5.520 1.139) 8.199 3.278 ( -0.629 -1.131 41.493) 41.513 3.615 ( -2.451 2.733 -3.808) 5.290 3.753 ( 0.275 0.101 4.148) 4.158 4.043 ( 1.162 0.606 -0.790) 1.530 4.131 ( 0.480 4.276 5.988) 7.373 4.530 ( -5.651 5.060 0.436) 7.598 4.730 ( -0.992 7.490 -2.889) 8.089 4.902 ( -5.476 9.086 8.621) 13.670 4.994 ( 1.762 2.520 -2.025) 3.682 5.396 ( 10.976 -3.605 -4.551) 12.417 7.642 ( -5.555 -12.035 4.550) 14.014 8.004 ( -3.186 3.622 8.505) 9.778 8.218 ( 3.773 -7.024 4.788) 9.301 8.705 ( -4.205 -6.728 5.073) 9.418 8.830 ( 3.758 -3.777 22.276) 22.904 9.873 ( 1.706 3.911 4.462) 6.174 9.975 ( 0.958 -10.496 -3.092) 10.983 10.620 ( -3.435 -24.751 -11.562) 27.533 10.909 ( -1.346 -3.234 2.918) 4.560 11.573 ( -12.318 0.686 17.534) 21.439 11.906 ( 0.057 -6.256 9.442) 11.326 12.143 ( 3.331 -9.791 8.505) 13.390 12.469 ( -3.818 -5.341 -7.475) 9.948 12.778 ( -3.224 1.808 6.012) 7.058 12.973 ( 10.125 3.635 2.055) 10.952 13.774 ( -2.799 6.678 -0.657) 7.270 14.435 ( -3.573 -2.062 -4.475) 6.086 14.730 ( -16.272 0.490 -3.457) 16.642 15.407 ( -4.445 9.484 -1.532) 10.586 15.790 ( 12.660 20.367 4.685) 24.434 16.724 ( -0.141 -3.081 -6.718) 7.393 16.773 ( 3.607 0.662 -4.939) 6.151 19.587 ( -0.197 0.729 -8.704) 8.736 25.931 ( -13.783 -6.766 -5.996) 16.483 27.117 ( -0.288 -1.393 -14.850) 14.918 28.429 ( -0.338 1.464 1.807) 2.350 28.552 ( -4.521 5.038 28.724) 29.511 29.233 ( 30.511 14.287 -4.607) 34.004 30.767 ( -1.884 -2.189 -10.683) 11.067 ======================= Grid point 110 (35/155) ======================= q-point: ( 0.30 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 8.342 -1.386 2.668) 8.867 1.310 ( 1.336 -15.702 -0.783) 15.778 1.858 ( -12.289 -5.933 6.830) 15.260 2.172 ( 0.987 2.889 -1.531) 3.416 2.434 ( 2.214 -3.308 -8.033) 8.965 2.526 ( -4.108 -3.579 1.218) 5.583 2.789 ( 8.083 -2.279 4.932) 9.740 3.020 ( -2.119 -4.881 1.486) 5.525 3.173 ( 0.230 -2.374 7.229) 7.612 3.338 ( 4.905 -0.987 26.379) 26.849 3.468 ( -3.621 5.275 5.343) 8.336 3.778 ( 2.115 -1.825 5.449) 6.123 4.020 ( 2.744 3.450 -8.650) 9.708 4.135 ( 0.360 -2.042 4.733) 5.167 4.358 ( -0.922 9.567 1.881) 9.793 4.619 ( 0.751 4.883 0.927) 5.027 4.770 ( -5.184 1.549 7.699) 9.410 4.939 ( 0.483 3.996 2.440) 4.707 5.499 ( 7.421 -0.816 -4.136) 8.535 7.638 ( -7.985 4.994 5.752) 11.036 7.946 ( -4.560 -0.913 9.825) 10.870 8.366 ( 2.271 -1.743 6.149) 6.783 8.888 ( -0.387 -11.008 8.639) 13.998 9.001 ( 3.687 -16.775 19.910) 26.295 9.786 ( 2.437 4.535 8.989) 10.359 10.149 ( 0.139 -6.699 -6.496) 9.333 10.934 ( -4.761 -11.498 1.213) 12.504 11.020 ( -0.596 -10.221 0.844) 10.273 11.561 ( -8.392 -7.348 11.533) 16.045 11.994 ( 7.966 -0.024 7.771) 11.129 12.367 ( -2.954 -8.339 -4.769) 10.050 12.582 ( -4.391 -6.612 5.254) 9.519 12.778 ( 2.477 -8.560 -2.995) 9.402 13.003 ( 9.366 0.165 4.209) 10.269 13.627 ( -1.337 6.884 -0.570) 7.036 14.419 ( -6.920 0.296 -5.392) 8.778 14.655 ( -7.273 0.474 -6.598) 9.831 15.160 ( 3.388 17.838 -3.306) 18.456 15.517 ( -1.489 11.728 7.971) 14.259 16.741 ( 0.331 1.926 -5.437) 5.777 16.807 ( 2.875 -2.793 -6.740) 7.842 19.568 ( 0.008 1.194 -7.539) 7.633 25.882 ( -10.337 1.367 1.853) 10.590 27.164 ( 0.376 -3.021 -16.804) 17.077 28.406 ( -0.057 0.741 4.284) 4.348 28.476 ( -0.610 2.321 22.288) 22.417 29.153 ( 18.126 11.778 -4.651) 22.111 30.763 ( -2.368 0.376 -7.638) 8.005 ======================= Grid point 111 (36/155) ======================= q-point: ( 0.40 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 11.590 -1.777 4.562) 12.582 1.550 ( -4.443 -9.744 -3.568) 11.288 1.801 ( -8.971 0.363 7.205) 11.512 2.058 ( 1.238 9.083 0.924) 9.214 2.510 ( -1.360 -5.086 -1.867) 5.586 2.619 ( -0.720 -6.492 -6.150) 8.972 2.899 ( 4.396 -2.847 4.542) 6.932 3.032 ( -3.190 1.482 -6.796) 7.652 3.145 ( -1.304 5.671 7.456) 9.458 3.285 ( -2.011 -1.443 24.778) 24.902 3.521 ( 6.327 -1.847 5.992) 8.908 3.831 ( -1.172 -3.671 4.526) 5.944 3.954 ( 0.863 4.009 -4.398) 6.013 4.178 ( 0.983 2.730 4.304) 5.191 4.235 ( 4.133 0.564 3.517) 5.457 4.554 ( 1.497 2.642 4.447) 5.385 4.722 ( -5.100 1.806 -0.822) 5.473 4.885 ( 1.022 1.595 8.173) 8.390 5.531 ( 2.977 0.534 -2.316) 3.809 7.485 ( -5.036 5.066 11.857) 13.843 7.946 ( -2.136 -1.024 7.109) 7.493 8.345 ( -0.995 2.194 2.803) 3.696 9.021 ( -1.275 -5.442 23.171) 23.836 9.366 ( 7.118 -11.199 15.820) 20.648 9.808 ( 0.808 -8.223 0.243) 8.266 10.189 ( -1.322 2.363 -6.889) 7.402 11.080 ( -1.602 -7.628 4.253) 8.879 11.174 ( -2.012 -6.384 -0.035) 6.694 11.709 ( -3.724 -12.370 11.598) 17.360 12.007 ( 4.638 2.695 5.229) 7.491 12.310 ( -3.438 10.058 7.227) 12.854 12.680 ( 4.790 -7.122 -8.226) 11.889 12.975 ( 4.191 1.217 -2.515) 5.037 13.166 ( -5.337 -16.550 1.836) 17.486 13.595 ( 6.133 -6.499 0.036) 8.936 14.343 ( -6.123 3.028 -4.829) 8.366 14.523 ( -5.385 13.157 -2.855) 14.500 14.870 ( 5.016 12.078 -7.122) 14.892 15.367 ( -4.052 3.276 9.558) 10.886 16.701 ( -0.298 1.868 -4.424) 4.811 16.873 ( 2.423 -1.979 -8.370) 8.935 19.549 ( 0.062 0.822 -6.875) 6.924 25.791 ( -5.269 2.159 5.032) 7.598 27.215 ( 0.231 -2.020 -16.984) 17.105 28.405 ( 0.331 -0.458 6.244) 6.269 28.443 ( 0.080 1.375 17.925) 17.978 29.059 ( 7.990 7.300 -3.997) 11.537 30.738 ( -1.354 0.653 -6.376) 6.550 ======================= Grid point 112 (37/155) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 0.000 -0.000 6.435) 6.435 1.562 ( 0.000 0.000 -1.384) 1.384 1.881 ( 0.000 0.000 1.250) 1.250 1.887 ( -0.000 -0.000 4.921) 4.921 2.566 ( 0.000 0.000 0.556) 0.556 2.696 ( 0.000 -0.000 -7.171) 7.171 2.926 ( -0.000 0.000 4.195) 4.195 2.978 ( -0.000 -0.000 -12.153) 12.153 3.084 ( 0.000 0.000 11.537) 11.537 3.318 ( -0.000 0.000 29.417) 29.417 3.542 ( 0.000 -0.000 -5.804) 5.804 3.899 ( -0.000 0.000 -4.313) 4.313 3.906 ( 0.000 -0.000 7.375) 7.375 4.102 ( 0.000 -0.000 7.854) 7.854 4.298 ( 0.000 -0.000 4.564) 4.564 4.535 ( -0.000 -0.000 1.163) 1.163 4.668 ( -0.000 -0.000 1.105) 1.105 4.880 ( 0.000 -0.000 6.832) 6.832 5.534 ( 0.000 -0.000 -1.169) 1.169 7.419 ( -0.000 -0.000 14.202) 14.202 7.949 ( -0.000 -0.000 6.657) 6.657 8.318 ( 0.000 -0.000 1.364) 1.364 9.069 ( 0.000 -0.000 25.451) 25.451 9.462 ( 0.000 0.000 17.935) 17.935 10.043 ( -0.000 0.000 -1.360) 1.360 10.044 ( 0.000 -0.000 -9.701) 9.701 11.156 ( 0.000 -0.000 2.754) 2.754 11.223 ( -0.000 -0.000 0.864) 0.864 11.875 ( -0.000 -0.000 10.271) 10.271 11.993 ( -0.000 -0.000 7.899) 7.899 12.129 ( -0.000 0.000 8.569) 8.569 12.820 ( -0.000 -0.000 -4.148) 4.148 12.913 ( 0.000 0.000 -10.667) 10.667 13.282 ( 0.000 -0.000 1.438) 1.438 13.888 ( 0.000 -0.000 0.288) 0.288 14.139 ( 0.000 0.000 -2.437) 2.437 14.339 ( -0.000 -0.000 -0.651) 0.651 14.800 ( 0.000 -0.000 -9.911) 9.911 15.326 ( -0.000 -0.000 9.839) 9.839 16.682 ( -0.000 -0.000 -4.122) 4.122 16.900 ( -0.000 -0.000 -8.931) 8.931 19.541 ( -0.000 -0.000 -6.649) 6.649 25.752 ( 0.000 -0.000 5.892) 5.892 27.235 ( 0.000 -0.000 -16.941) 16.941 28.418 ( 0.000 -0.000 0.184) 0.184 28.424 ( 0.000 -0.000 23.176) 23.176 29.015 ( 0.000 -0.000 -3.633) 3.633 30.727 ( 0.000 -0.000 -6.037) 6.037 ======================= Grid point 119 (38/155) ======================= q-point: ( 0.10 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 18.086 -0.000 14.136) 22.955 0.643 ( 12.754 -0.000 20.175) 23.869 0.948 ( 9.062 -0.000 33.059) 34.279 1.927 ( 1.816 -0.000 -1.632) 2.442 2.393 ( 1.357 -0.000 7.794) 7.911 2.408 ( 1.963 -0.000 4.380) 4.800 2.778 ( 2.363 -0.000 1.492) 2.795 2.921 ( -3.737 0.000 0.486) 3.769 3.191 ( -0.243 0.000 -4.139) 4.146 3.314 ( -5.453 0.000 42.055) 42.407 3.522 ( 6.888 -0.000 3.102) 7.554 3.741 ( -2.937 0.000 6.551) 7.179 4.181 ( 1.175 -0.000 -1.225) 1.697 4.298 ( -18.251 0.000 5.806) 19.152 4.642 ( -2.852 0.000 -0.330) 2.871 4.873 ( -1.761 0.000 -2.976) 3.458 5.027 ( 7.930 -0.000 -2.474) 8.307 5.063 ( -5.622 0.000 -1.028) 5.715 5.493 ( 8.439 -0.000 -8.751) 12.157 7.325 ( -2.017 0.000 5.454) 5.815 8.126 ( 13.721 -0.000 2.609) 13.967 8.134 ( 0.188 -0.000 -4.075) 4.079 8.603 ( -5.229 0.000 5.807) 7.815 8.840 ( 4.956 -0.000 25.802) 26.274 8.985 ( -2.644 0.000 -5.788) 6.363 9.663 ( -1.187 0.000 -0.468) 1.276 10.347 ( 0.232 -0.000 3.541) 3.549 10.869 ( -1.241 0.000 -1.151) 1.693 11.425 ( -2.947 0.000 7.351) 7.920 11.976 ( -4.937 0.000 12.877) 13.791 12.126 ( -30.640 0.000 33.913) 45.704 12.346 ( 1.016 -0.000 -4.676) 4.785 12.879 ( -14.178 0.000 10.459) 17.618 13.025 ( 3.278 -0.000 -2.709) 4.253 13.874 ( -8.380 0.000 3.392) 9.041 14.395 ( 0.399 -0.000 -6.055) 6.068 14.656 ( -48.366 0.000 31.282) 57.601 15.580 ( -3.745 0.000 -5.526) 6.676 16.625 ( -0.458 0.000 -8.572) 8.584 16.685 ( 0.422 -0.000 -4.377) 4.398 16.705 ( 32.371 -0.000 -18.575) 37.322 19.563 ( 0.180 -0.000 -10.642) 10.644 25.316 ( 0.065 -0.000 6.052) 6.052 27.132 ( -5.827 0.000 -10.739) 12.218 28.463 ( -0.265 0.000 0.874) 0.913 28.719 ( -16.562 0.000 29.137) 33.515 30.145 ( 62.043 -0.000 -46.035) 77.257 30.367 ( -0.030 0.000 0.266) 0.267 ======================= Grid point 120 (39/155) ======================= q-point: ( 0.20 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 11.696 -6.528 12.122) 18.065 0.828 ( 17.076 -8.699 10.049) 21.639 1.274 ( 8.403 -19.760 18.420) 28.291 1.996 ( 2.937 -5.491 -3.787) 7.288 2.389 ( -0.973 -0.759 2.249) 2.565 2.505 ( 2.174 -3.887 3.055) 5.401 2.818 ( 2.764 -1.199 5.413) 6.195 2.906 ( -2.094 -1.565 3.129) 4.077 3.103 ( 2.952 5.337 -4.527) 7.596 3.275 ( -2.312 1.693 45.645) 45.735 3.603 ( 1.863 -2.996 -7.029) 7.865 3.732 ( -1.714 -0.818 6.214) 6.498 4.061 ( -3.171 3.744 4.933) 6.957 4.215 ( -4.818 2.943 4.127) 6.993 4.549 ( -8.510 3.774 -0.696) 9.335 4.853 ( 1.216 3.761 -3.040) 4.987 5.002 ( -5.505 4.302 1.724) 7.196 5.064 ( 4.813 3.170 -1.620) 5.987 5.463 ( 13.293 3.357 -7.036) 15.410 7.379 ( -1.585 -9.612 10.661) 14.442 8.043 ( 0.664 1.613 2.858) 3.348 8.175 ( -1.231 3.003 3.347) 4.662 8.593 ( -3.883 -3.219 6.576) 8.288 8.846 ( 5.370 1.363 21.738) 22.433 9.630 ( -2.485 -39.229 -20.248) 44.216 9.763 ( -0.871 -12.495 -2.292) 12.733 10.305 ( -0.879 0.623 2.353) 2.588 10.862 ( -2.233 -0.740 1.379) 2.726 11.480 ( -10.756 -4.883 17.888) 21.437 11.759 ( -13.177 2.055 23.873) 27.345 12.057 ( -5.527 -4.962 18.109) 19.573 12.383 ( -2.308 -2.496 -6.036) 6.928 12.778 ( -5.984 0.933 8.787) 10.672 13.066 ( 5.574 -0.335 -1.754) 5.853 13.822 ( -5.918 1.397 2.183) 6.460 14.370 ( -7.970 -0.371 0.219) 7.981 14.528 ( -17.513 -6.813 11.534) 22.048 15.511 ( -2.118 5.456 -6.596) 8.819 16.371 ( 14.528 27.834 -7.235) 32.220 16.661 ( -0.848 -2.733 -5.980) 6.630 16.829 ( 8.270 1.693 -6.845) 10.868 19.583 ( -0.358 -1.030 -10.097) 10.156 25.570 ( -11.048 -19.730 -2.205) 22.720 27.098 ( -2.478 -0.158 -13.081) 13.314 28.451 ( -0.403 1.049 1.389) 1.786 28.600 ( -6.300 3.713 30.686) 31.546 29.906 ( 39.539 29.802 -14.609) 51.623 30.682 ( 3.547 -6.518 -19.015) 20.412 ======================= Grid point 121 (40/155) ======================= q-point: ( 0.30 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 7.900 -10.014 2.257) 12.953 1.093 ( 10.427 -9.838 5.213) 15.254 1.598 ( -5.225 -13.028 8.930) 16.636 2.140 ( 2.960 -6.452 -5.512) 8.987 2.395 ( -0.743 -1.210 -4.209) 4.442 2.524 ( -0.723 2.330 2.159) 3.258 2.822 ( 4.729 -0.237 7.707) 9.045 2.959 ( 1.186 -1.212 1.259) 2.112 3.108 ( 1.364 -3.396 5.730) 6.799 3.300 ( 4.407 -4.749 37.833) 38.384 3.546 ( -7.708 5.774 -3.668) 10.305 3.768 ( 1.801 -1.985 2.708) 3.810 4.035 ( -2.048 -0.265 -0.250) 2.081 4.167 ( 3.796 1.568 1.863) 4.510 4.434 ( -6.931 2.497 2.278) 7.711 4.750 ( 3.463 8.209 -0.641) 8.932 4.840 ( -3.223 7.598 7.109) 10.893 5.013 ( 1.065 4.064 -1.423) 4.436 5.545 ( 10.540 -0.717 -5.303) 11.821 7.556 ( -6.946 -8.753 9.629) 14.751 7.941 ( -6.050 6.477 12.201) 15.080 8.277 ( 4.671 -12.118 -1.272) 13.049 8.646 ( -4.550 -7.339 4.736) 9.849 8.878 ( 3.351 -2.193 20.648) 21.033 9.898 ( 1.749 -1.282 1.744) 2.783 9.998 ( 2.471 -6.003 -0.017) 6.492 10.549 ( -7.094 -24.942 -11.398) 28.325 10.888 ( -1.696 -4.248 4.498) 6.415 11.411 ( -10.621 -2.153 21.414) 24.000 11.908 ( 0.062 -13.896 9.468) 16.815 12.169 ( 0.386 -9.076 7.635) 11.867 12.407 ( -5.198 -3.856 -4.322) 7.782 12.757 ( -0.472 -0.419 3.914) 3.965 13.105 ( 9.295 1.308 -0.034) 9.387 13.723 ( -4.511 5.435 0.993) 7.133 14.337 ( -11.332 -2.614 -1.757) 11.762 14.556 ( -7.737 -4.386 0.343) 8.901 15.372 ( -1.479 7.877 -4.692) 9.287 15.929 ( 8.270 27.907 -1.138) 29.129 16.727 ( 0.535 -3.956 -7.241) 8.269 16.826 ( 4.047 2.492 -4.155) 6.313 19.585 ( -0.151 0.526 -8.561) 8.579 25.740 ( -13.372 -8.322 0.454) 15.757 27.115 ( 0.009 -2.421 -15.876) 16.059 28.425 ( -0.173 1.333 4.512) 4.708 28.517 ( -1.388 2.702 24.549) 24.737 29.651 ( 30.202 24.581 -10.505) 40.333 30.730 ( -3.638 -1.405 -9.845) 10.589 ======================= Grid point 122 (41/155) ======================= q-point: ( 0.40 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 8.520 -2.942 0.742) 9.044 1.330 ( 1.670 -11.256 0.379) 11.386 1.696 ( -11.313 -4.752 7.362) 14.310 2.185 ( 1.127 3.199 -1.275) 3.623 2.448 ( -0.851 -0.315 -3.069) 3.200 2.488 ( -0.961 -5.544 -6.045) 8.258 2.895 ( 7.702 -1.954 5.038) 9.408 3.000 ( -1.128 -2.742 -0.150) 2.969 3.150 ( -2.738 -1.865 18.123) 18.423 3.328 ( -6.705 6.504 4.717) 10.465 3.504 ( 8.598 -5.568 21.236) 23.578 3.801 ( 1.343 -0.398 2.262) 2.660 4.021 ( -2.729 0.455 -6.862) 7.399 4.136 ( -0.921 1.754 1.911) 2.752 4.379 ( 5.020 4.719 3.885) 7.910 4.647 ( 3.117 5.666 2.139) 6.812 4.722 ( -1.880 2.930 6.744) 7.589 4.940 ( -0.232 3.466 3.150) 4.689 5.586 ( 5.330 1.842 -3.774) 6.786 7.542 ( -5.861 3.907 7.957) 10.627 7.852 ( -9.140 -2.705 13.672) 16.667 8.401 ( 2.529 2.013 1.743) 3.672 8.892 ( 1.153 -11.392 9.452) 14.848 9.044 ( 2.399 -20.584 15.093) 25.637 9.828 ( 3.726 6.136 6.830) 9.909 10.147 ( -0.590 -6.122 -2.808) 6.761 10.870 ( -4.473 -14.342 -1.032) 15.059 11.003 ( -1.869 -9.058 2.006) 9.464 11.474 ( -4.857 -9.557 13.437) 17.189 12.077 ( 4.550 -1.260 8.358) 9.599 12.327 ( -2.960 -4.505 -2.095) 5.784 12.535 ( -2.661 -14.380 4.101) 15.188 12.811 ( 2.564 -7.018 -4.107) 8.526 13.133 ( 9.760 3.458 3.153) 10.824 13.601 ( -2.719 3.317 -0.337) 4.302 14.303 ( -10.039 -1.497 -4.747) 11.205 14.565 ( -5.925 -0.770 -3.364) 6.856 15.203 ( 2.851 12.800 -5.271) 14.133 15.501 ( -0.842 18.964 5.721) 19.826 16.754 ( 1.611 2.377 -5.500) 6.205 16.842 ( 2.195 -2.465 -6.506) 7.296 19.568 ( 0.053 1.119 -7.444) 7.527 25.747 ( -9.399 -1.988 4.071) 10.435 27.171 ( 0.566 -3.000 -16.867) 17.141 28.408 ( 0.567 0.510 7.918) 7.955 28.473 ( -0.064 1.797 17.942) 18.032 29.394 ( 17.092 20.398 -7.734) 27.713 30.725 ( -3.232 -0.755 -6.625) 7.410 ======================= Grid point 123 (42/155) ======================= q-point: ( 0.50 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 3.854 0.600 2.793) 4.797 1.485 ( -2.868 -6.338 -1.058) 7.037 1.710 ( -4.493 -6.454 7.708) 11.012 2.077 ( 1.513 8.957 0.493) 9.097 2.471 ( -3.707 -4.990 0.707) 6.257 2.635 ( 2.720 -7.791 -8.760) 12.035 2.960 ( 3.464 1.724 1.459) 4.135 2.984 ( -3.278 0.794 -5.729) 6.648 3.120 ( -2.233 3.874 7.188) 8.466 3.254 ( -2.335 -3.666 26.154) 26.513 3.614 ( 7.105 1.670 4.247) 8.444 3.811 ( -1.951 -2.540 4.629) 5.629 3.957 ( -0.189 3.432 -1.886) 3.920 4.182 ( -0.313 -3.110 3.046) 4.364 4.286 ( 3.270 5.870 6.115) 9.085 4.574 ( 1.377 3.611 3.915) 5.501 4.660 ( -3.624 2.975 -0.628) 4.731 4.916 ( 3.095 0.533 7.741) 8.354 5.567 ( 2.413 2.413 -2.176) 4.048 7.441 ( -1.540 2.925 12.170) 12.611 7.869 ( -8.572 -4.666 10.019) 13.987 8.356 ( 1.964 2.861 0.558) 3.515 9.020 ( 1.061 -4.764 23.431) 23.934 9.438 ( 3.625 -9.825 10.816) 15.055 9.827 ( 1.956 -8.149 -0.198) 8.383 10.168 ( -1.661 3.145 -3.447) 4.952 11.062 ( -0.771 -9.053 2.653) 9.465 11.148 ( -1.996 -7.177 0.688) 7.481 11.667 ( -2.724 -13.749 12.362) 18.689 12.054 ( 2.772 4.581 5.740) 7.849 12.266 ( -3.279 7.432 5.882) 10.029 12.753 ( 6.265 -6.961 -6.782) 11.563 13.032 ( 3.965 2.151 -3.687) 5.826 13.099 ( -4.658 -10.228 2.384) 11.489 13.666 ( 4.325 -11.596 -0.125) 12.377 14.271 ( -4.292 0.141 -4.375) 6.130 14.447 ( -6.133 11.111 -2.990) 13.039 14.914 ( 1.710 15.223 -6.577) 16.670 15.324 ( -2.045 1.459 9.051) 9.393 16.716 ( 2.484 2.553 -4.444) 5.695 16.889 ( -0.123 -1.240 -8.363) 8.456 19.550 ( 0.070 0.850 -6.814) 6.868 25.725 ( -4.459 -1.334 5.767) 7.411 27.220 ( 0.495 -1.784 -16.980) 17.080 28.412 ( 0.766 -0.247 10.297) 10.328 28.445 ( 0.189 1.383 13.641) 13.712 29.156 ( 6.312 13.320 -5.258) 15.650 30.720 ( -1.376 -0.474 -5.909) 6.085 ======================= Grid point 124 (43/155) ======================= q-point: (-0.40 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -10.820 6.731 6.448) 14.281 1.634 ( 7.972 -6.295 -1.108) 10.218 1.865 ( -1.301 -10.308 3.015) 10.818 1.905 ( 1.498 9.221 3.239) 9.888 2.540 ( -3.070 -3.230 -0.949) 4.556 2.719 ( 2.671 3.243 -6.261) 7.540 2.938 ( 1.454 1.505 1.970) 2.874 2.978 ( 0.325 -5.110 -8.535) 9.953 3.073 ( -1.632 0.446 10.311) 10.449 3.309 ( -1.068 -1.656 29.779) 29.844 3.555 ( 1.710 5.480 -5.140) 7.705 3.864 ( -2.505 -2.278 0.296) 3.399 3.940 ( 2.397 -0.728 0.905) 2.664 4.099 ( -0.563 5.046 8.323) 9.749 4.279 ( -2.371 1.718 3.627) 4.661 4.538 ( 0.061 1.512 2.609) 3.016 4.638 ( -3.082 -5.651 1.821) 6.690 4.920 ( 4.466 2.212 6.935) 8.540 5.538 ( 0.581 1.986 -1.725) 2.695 7.440 ( 2.846 -2.504 13.556) 14.076 7.898 ( -6.469 -3.891 8.097) 11.070 8.345 ( 3.211 0.155 0.424) 3.243 9.087 ( 2.586 -0.676 25.958) 26.095 9.438 ( -3.345 4.816 17.074) 18.053 10.019 ( -1.276 11.327 -3.492) 11.922 10.075 ( 2.120 -11.357 -7.113) 13.567 11.158 ( 0.267 -0.503 2.417) 2.484 11.225 ( 0.291 -1.886 1.423) 2.380 11.864 ( -1.366 -2.843 8.970) 9.509 12.008 ( 2.063 2.673 8.465) 9.114 12.117 ( -1.738 -1.611 9.114) 9.417 12.815 ( -0.681 7.463 -4.788) 8.892 12.927 ( 1.780 0.023 -10.194) 10.348 13.279 ( -0.281 -6.465 1.707) 6.693 13.884 ( -0.523 18.062 -0.313) 18.072 14.131 ( -1.011 -14.826 -1.868) 14.978 14.364 ( 3.357 -4.013 -0.883) 5.307 14.769 ( -4.196 1.571 -8.728) 9.811 15.340 ( 1.769 -2.326 8.947) 9.412 16.704 ( 3.202 0.836 -4.630) 5.691 16.881 ( -2.913 0.886 -8.560) 9.085 19.541 ( 0.000 0.058 -6.652) 6.652 25.753 ( 0.163 -3.509 5.868) 6.839 27.237 ( 0.276 0.272 -17.015) 17.019 28.418 ( -0.048 0.735 0.201) 0.764 28.427 ( 0.461 -0.090 23.340) 23.345 29.009 ( -0.859 4.719 -3.712) 6.065 30.727 ( 0.020 -0.918 -6.042) 6.112 ======================= Grid point 125 (44/155) ======================= q-point: (-0.30 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -8.643 0.082 5.549) 10.272 1.588 ( 1.569 13.606 -2.970) 14.015 1.918 ( 7.533 -5.192 5.284) 10.566 2.045 ( -0.758 -9.277 1.216) 9.387 2.505 ( -1.271 4.858 -6.913) 8.544 2.649 ( 2.865 4.419 -1.721) 5.541 2.853 ( -2.482 8.253 7.168) 11.210 3.068 ( 2.287 -2.561 -4.578) 5.722 3.146 ( -1.242 -5.927 -1.710) 6.292 3.300 ( 0.307 0.415 34.052) 34.056 3.465 ( -2.031 3.684 3.740) 5.629 3.849 ( 1.896 5.387 4.591) 7.327 3.931 ( -2.549 -1.876 -4.889) 5.824 4.147 ( -3.416 -10.161 1.361) 10.806 4.200 ( -0.829 3.775 3.108) 4.960 4.537 ( -0.970 -2.659 5.331) 6.036 4.770 ( 1.795 -6.724 -1.007) 7.032 4.899 ( 2.645 2.147 9.095) 9.712 5.493 ( -2.492 2.464 -2.981) 4.601 7.562 ( 5.799 -7.113 10.598) 14.019 7.928 ( -3.652 -3.160 6.876) 8.402 8.379 ( 3.112 -0.666 3.015) 4.383 9.057 ( 4.222 6.772 23.191) 24.526 9.259 ( -8.597 11.557 19.399) 24.162 9.805 ( 0.170 8.457 1.112) 8.531 10.201 ( 0.544 -1.430 -9.389) 9.513 11.098 ( 1.071 6.234 4.828) 7.958 11.200 ( 1.701 6.005 0.685) 6.278 11.766 ( 4.921 8.956 9.584) 14.010 11.933 ( -6.332 1.338 5.945) 8.788 12.355 ( 3.151 -14.465 8.534) 17.088 12.626 ( -3.322 8.557 -9.879) 13.485 12.930 ( -2.481 1.642 -1.882) 3.520 13.237 ( 5.036 23.850 1.399) 24.416 13.513 ( -5.838 -1.240 0.287) 5.976 14.417 ( 4.381 -5.253 -4.616) 8.252 14.596 ( 6.011 -13.921 -3.423) 15.545 14.787 ( -7.252 -11.348 -6.275) 14.857 15.418 ( 3.251 -4.319 9.111) 10.594 16.723 ( 2.852 -0.482 -5.290) 6.030 16.829 ( -4.055 1.882 -7.705) 8.908 19.548 ( -0.033 -0.809 -6.926) 6.973 25.854 ( 3.733 -5.778 4.263) 8.093 27.214 ( 0.036 2.284 -17.149) 17.300 28.402 ( -0.174 0.406 1.913) 1.963 28.445 ( 0.461 -1.341 22.935) 22.979 28.961 ( -6.161 -1.437 -3.126) 7.056 30.753 ( 0.818 -1.499 -6.741) 6.954 ======================= Grid point 126 (45/155) ======================= q-point: (-0.20 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -3.441 0.538 3.670) 5.059 1.297 ( -0.570 18.005 -1.073) 18.046 1.991 ( 6.424 5.819 7.163) 11.244 2.158 ( -1.031 -1.805 -2.066) 2.931 2.405 ( -1.601 3.216 -7.543) 8.355 2.586 ( 4.578 6.825 3.900) 9.097 2.691 ( -6.120 0.557 3.430) 7.038 3.061 ( 4.069 5.664 0.213) 6.977 3.129 ( -5.377 4.958 -1.116) 7.398 3.299 ( -0.712 0.597 38.131) 38.142 3.514 ( 2.110 -8.853 1.179) 9.177 3.754 ( -1.131 3.293 7.512) 8.279 3.981 ( -1.996 -4.295 -8.300) 9.556 4.131 ( -0.138 3.138 6.412) 7.140 4.371 ( 0.522 -13.553 -0.987) 13.598 4.622 ( 0.570 -6.112 0.452) 6.155 4.847 ( 5.524 -0.196 8.518) 10.155 4.921 ( -2.297 -4.232 0.368) 4.830 5.414 ( -4.221 3.746 -3.927) 6.875 7.730 ( 4.693 -5.249 4.178) 8.187 7.970 ( -0.150 -3.034 5.834) 6.578 8.349 ( -0.450 7.193 10.351) 12.612 8.897 ( 0.612 12.007 7.035) 13.929 8.959 ( -2.141 12.316 24.354) 27.375 9.765 ( -0.734 -3.292 10.265) 10.805 10.146 ( -0.191 7.034 -8.643) 11.146 10.985 ( 2.658 7.982 3.649) 9.170 11.019 ( -0.632 13.168 -0.311) 13.187 11.684 ( 9.024 5.108 9.230) 13.882 11.876 ( -8.691 -1.469 7.714) 11.713 12.397 ( 1.291 12.340 -6.376) 13.949 12.647 ( 4.900 -4.750 5.599) 8.827 12.739 ( -3.605 13.019 -2.222) 13.690 12.907 ( -4.242 4.182 5.244) 7.936 13.638 ( 0.391 -8.920 -0.698) 8.956 14.479 ( 2.178 0.301 -3.784) 4.376 14.736 ( 3.914 -4.135 -12.961) 14.156 15.122 ( -1.945 -21.474 -0.039) 21.562 15.535 ( 0.842 -6.652 9.647) 11.748 16.745 ( 0.769 -0.122 -5.842) 5.894 16.773 ( -2.043 1.684 -6.567) 7.080 19.568 ( 0.006 -1.262 -7.598) 7.702 25.991 ( 4.907 -5.081 -0.283) 7.069 27.161 ( -0.114 3.123 -16.879) 17.166 28.407 ( 0.062 -0.974 1.183) 1.534 28.490 ( 1.154 -3.420 26.985) 27.226 28.960 ( -9.001 -3.620 -2.964) 10.144 30.784 ( 0.852 -0.934 -8.196) 8.293 ======================= Grid point 127 (46/155) ======================= q-point: (-0.10 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 0.000 9.801 5.768) 11.372 0.931 ( 0.000 21.133 1.954) 21.223 1.703 ( 0.000 25.771 16.362) 30.526 2.083 ( 0.000 6.928 -5.740) 8.997 2.401 ( -0.000 -1.330 -1.118) 1.738 2.535 ( 0.000 0.662 0.464) 0.808 2.755 ( -0.000 -5.860 2.796) 6.493 2.973 ( 0.000 3.867 -0.862) 3.962 2.991 ( 0.000 4.694 5.128) 6.952 3.287 ( 0.000 0.228 40.541) 40.542 3.626 ( -0.000 -0.107 -2.673) 2.676 3.754 ( -0.000 -1.930 3.266) 3.793 4.030 ( -0.000 -1.402 -0.337) 1.442 4.134 ( -0.000 -5.827 7.054) 9.150 4.564 ( -0.000 -5.932 -0.225) 5.936 4.750 ( -0.000 -7.143 -3.336) 7.884 4.957 ( -0.000 -10.704 9.689) 14.438 4.970 ( -0.000 -1.946 -4.097) 4.536 5.307 ( 0.000 6.067 -3.656) 7.083 7.684 ( 0.000 14.111 2.879) 14.402 8.024 ( -0.000 -1.652 3.070) 3.486 8.191 ( 0.000 3.576 10.904) 11.475 8.744 ( 0.000 5.699 -0.437) 5.716 8.794 ( 0.000 5.203 28.408) 28.880 9.861 ( -0.000 -5.006 5.813) 7.671 9.969 ( 0.000 11.359 -4.519) 12.225 10.641 ( 0.000 24.833 -10.950) 27.140 10.919 ( 0.000 2.833 2.180) 3.575 11.671 ( 0.000 0.993 13.552) 13.588 11.907 ( -0.000 -4.342 10.176) 11.063 12.110 ( 0.000 14.013 9.692) 17.038 12.496 ( 0.000 6.157 -9.168) 11.044 12.843 ( 0.000 0.859 6.491) 6.548 12.859 ( -0.000 -7.969 3.547) 8.723 13.793 ( -0.000 -7.367 -1.171) 7.460 14.455 ( 0.000 2.414 -3.970) 4.646 14.863 ( -0.000 -8.074 -11.864) 14.351 15.470 ( -0.000 -16.626 -0.900) 16.650 15.660 ( -0.000 -7.667 12.395) 14.574 16.732 ( 0.000 1.316 -4.962) 5.134 16.741 ( 0.000 1.703 -6.840) 7.049 19.589 ( -0.000 -0.857 -8.771) 8.813 26.037 ( 0.000 4.651 -10.646) 11.617 27.120 ( 0.000 0.589 -14.189) 14.201 28.431 ( -0.000 -1.482 0.908) 1.737 28.610 ( -0.000 -9.978 33.411) 34.870 28.981 ( -0.000 -3.140 -3.228) 4.503 30.780 ( 0.000 2.496 -10.973) 11.253 ======================= Grid point 130 (47/155) ======================= q-point: ( 0.20 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 13.110 -0.000 18.187) 22.419 0.830 ( 14.077 -0.000 13.244) 19.328 1.189 ( 25.139 -0.000 12.711) 28.170 1.961 ( 3.175 -0.000 -2.517) 4.052 2.424 ( 3.334 -0.000 5.629) 6.542 2.426 ( 0.444 -0.000 7.003) 7.017 2.817 ( 3.095 -0.000 4.251) 5.258 2.882 ( -1.340 0.000 3.666) 3.904 3.181 ( -1.212 0.000 -4.670) 4.825 3.265 ( -2.286 0.000 44.387) 44.446 3.585 ( 2.139 -0.000 -6.883) 7.207 3.711 ( -1.234 0.000 6.272) 6.392 4.084 ( -12.869 0.000 7.586) 14.938 4.174 ( -2.452 0.000 -3.595) 4.352 4.538 ( -11.585 0.000 2.840) 11.928 4.878 ( 1.999 -0.000 -2.532) 3.226 5.018 ( -1.269 0.000 -3.027) 3.282 5.145 ( 9.896 -0.000 -0.545) 9.911 5.598 ( 6.910 -0.000 -16.532) 17.918 7.303 ( -1.274 0.000 9.339) 9.425 8.138 ( 0.345 -0.000 -4.619) 4.631 8.270 ( 6.292 -0.000 12.099) 13.637 8.537 ( -4.175 0.000 7.032) 8.178 8.911 ( 5.444 -0.000 22.936) 23.573 8.938 ( -4.186 0.000 -5.867) 7.208 9.635 ( -3.151 0.000 -0.744) 3.238 10.359 ( 1.675 -0.000 1.892) 2.527 10.844 ( -2.470 0.000 1.024) 2.674 11.337 ( -11.289 0.000 20.360) 23.281 11.726 ( -20.972 0.000 43.152) 47.979 11.895 ( -6.806 0.000 12.639) 14.355 12.360 ( 0.981 -0.000 -4.631) 4.734 12.716 ( -9.975 0.000 11.063) 14.896 13.080 ( 4.730 -0.000 -2.566) 5.381 13.796 ( -2.096 0.000 4.858) 5.291 14.311 ( -12.087 0.000 18.332) 21.958 14.403 ( 0.648 -0.000 -6.075) 6.110 15.558 ( -0.826 0.000 -9.326) 9.362 16.618 ( -0.493 0.000 -7.419) 7.435 16.691 ( 0.449 -0.000 -5.671) 5.689 16.961 ( 10.638 -0.000 -16.978) 20.036 19.566 ( 0.289 -0.000 -10.464) 10.468 25.317 ( 0.109 -0.000 6.065) 6.066 27.077 ( -2.588 0.000 -13.485) 13.731 28.458 ( -0.431 0.000 0.695) 0.817 28.597 ( -4.767 0.000 32.637) 32.984 30.366 ( -0.049 0.000 0.239) 0.244 30.747 ( 30.374 -0.000 -50.637) 59.048 ======================= Grid point 131 (48/155) ======================= q-point: ( 0.30 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 10.299 -4.019 10.123) 14.990 1.050 ( 15.095 -7.253 9.877) 19.443 1.421 ( 13.440 -6.470 6.801) 16.394 2.041 ( 3.794 -5.800 -5.401) 8.787 2.379 ( -0.508 0.844 2.097) 2.317 2.532 ( 1.891 -2.759 4.719) 5.784 2.846 ( 1.721 -0.337 9.822) 9.978 2.902 ( 0.972 -3.354 2.209) 4.132 3.132 ( 1.539 2.660 -2.464) 3.939 3.262 ( 0.222 -1.038 43.122) 43.135 3.571 ( -6.829 2.527 -8.298) 11.040 3.730 ( 1.162 -2.577 1.853) 3.380 4.022 ( -0.887 -0.813 5.228) 5.365 4.165 ( -4.489 -1.070 0.579) 4.651 4.421 ( -9.512 2.424 2.134) 10.045 4.871 ( 1.289 2.909 -1.912) 3.712 4.972 ( 0.584 5.333 -1.306) 5.522 5.133 ( 5.399 7.298 -1.351) 9.178 5.621 ( 10.353 1.049 -10.237) 14.597 7.351 ( -2.532 -6.999 16.295) 17.914 8.040 ( -0.951 4.828 2.820) 5.672 8.151 ( -2.420 3.731 6.344) 7.748 8.547 ( -2.962 -2.928 5.967) 7.277 8.913 ( 4.436 2.272 18.836) 19.484 9.582 ( -4.622 -42.290 -13.296) 44.571 9.739 ( -2.817 -14.842 -0.962) 15.137 10.303 ( 0.841 4.956 1.553) 5.261 10.828 ( -2.734 -0.924 4.611) 5.440 11.305 ( -12.011 -2.840 30.940) 33.311 11.659 ( -3.751 -7.617 14.560) 16.855 11.978 ( -5.850 -10.509 15.814) 19.868 12.356 ( -1.847 0.419 -4.823) 5.182 12.704 ( -5.148 -3.775 7.138) 9.576 13.132 ( 4.468 -2.036 -2.227) 5.391 13.771 ( -1.315 2.637 4.153) 5.092 14.236 ( -8.442 0.386 8.020) 11.651 14.448 ( -1.255 -3.709 -2.854) 4.846 15.494 ( -0.799 5.960 -8.602) 10.495 16.486 ( 4.876 22.622 -8.910) 24.797 16.654 ( -0.231 -3.358 -6.170) 7.028 16.924 ( 5.649 5.471 -7.147) 10.626 19.581 ( -0.060 -0.808 -9.771) 9.805 25.459 ( -5.869 -12.384 3.433) 14.128 27.076 ( -0.928 -1.449 -15.193) 15.290 28.446 ( -0.264 0.962 2.089) 2.315 28.550 ( -2.162 2.071 29.807) 29.957 30.268 ( 16.288 14.770 -8.438) 23.551 30.754 ( 7.122 9.276 -26.930) 29.360 ======================= Grid point 132 (49/155) ======================= q-point: ( 0.40 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 4.304 -8.797 1.816) 9.961 1.247 ( 12.108 -3.918 6.417) 14.252 1.542 ( -2.913 -4.032 4.520) 6.721 2.177 ( 2.618 -4.745 -5.703) 7.867 2.385 ( -0.629 -2.831 -6.194) 6.839 2.510 ( -1.422 4.418 2.002) 5.055 2.888 ( 4.620 -3.162 9.419) 10.957 2.977 ( 1.480 -1.799 4.495) 5.063 3.103 ( -1.164 0.170 11.377) 11.437 3.342 ( -3.135 -1.710 16.873) 17.247 3.459 ( -0.788 -1.105 12.885) 12.957 3.794 ( 2.141 -2.269 -1.182) 3.336 4.007 ( -2.063 2.039 -0.757) 2.998 4.165 ( -5.065 0.167 -0.991) 5.164 4.411 ( 4.146 -4.174 4.822) 7.607 4.782 ( 0.282 7.132 0.825) 7.186 4.845 ( 4.653 8.851 3.383) 10.556 5.022 ( 0.253 5.998 -1.073) 6.099 5.659 ( 6.640 2.058 -4.914) 8.513 7.469 ( -6.092 -7.151 17.063) 19.478 7.857 ( -6.162 9.322 9.982) 14.983 8.336 ( 4.254 -16.431 -2.777) 17.199 8.586 ( -4.562 -7.171 3.455) 9.174 8.915 ( 2.214 -1.050 18.719) 18.878 9.915 ( 0.861 -8.491 2.112) 8.792 10.034 ( 2.574 -0.191 0.217) 2.590 10.451 ( -6.730 -25.862 -8.831) 28.145 10.864 ( -2.099 -4.814 6.222) 8.142 11.311 ( -4.641 -4.978 20.837) 21.920 11.905 ( -0.538 -17.518 10.478) 20.420 12.162 ( -0.981 -11.133 7.629) 13.532 12.340 ( -4.719 -2.180 -2.324) 5.694 12.757 ( 0.386 -3.508 1.036) 3.678 13.208 ( 6.158 -2.318 -0.889) 6.640 13.668 ( -3.386 6.552 3.489) 8.159 14.188 ( -9.750 -1.689 1.724) 10.044 14.499 ( -2.343 -2.781 -3.133) 4.800 15.360 ( -0.520 7.355 -5.976) 9.491 16.013 ( 4.608 30.399 -4.005) 31.006 16.735 ( 0.632 -4.467 -7.402) 8.669 16.874 ( 3.142 3.321 -3.843) 5.972 19.584 ( -0.020 0.416 -8.411) 8.421 25.597 ( -8.126 -7.513 3.836) 11.713 27.117 ( 0.214 -3.028 -16.580) 16.856 28.427 ( 0.580 0.988 6.008) 6.117 28.504 ( -0.877 1.873 22.578) 22.672 29.996 ( 21.672 28.475 -14.201) 38.499 30.672 ( -5.062 -0.756 -8.438) 9.869 ======================= Grid point 133 (50/155) ======================= q-point: ( 0.50 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 1.022 -4.945 -2.497) 5.634 1.370 ( 4.979 -4.423 3.419) 7.486 1.580 ( -5.868 -4.147 7.984) 10.741 2.202 ( 1.408 3.197 -0.892) 3.605 2.421 ( -2.318 2.116 1.152) 3.343 2.494 ( 1.050 -8.072 -11.851) 14.377 2.965 ( -0.060 -1.470 -2.040) 2.515 3.001 ( 3.492 0.208 4.571) 5.756 3.117 ( -1.841 -2.438 20.462) 20.689 3.226 ( -7.633 3.492 6.560) 10.654 3.617 ( 7.234 -6.160 23.704) 25.537 3.820 ( 1.862 1.605 -2.681) 3.637 3.972 ( -3.797 -0.774 -4.424) 5.882 4.105 ( -3.244 0.368 3.299) 4.641 4.474 ( 7.950 6.679 2.879) 10.775 4.676 ( 0.622 3.639 2.410) 4.409 4.727 ( 2.430 6.636 4.064) 8.152 4.937 ( -0.108 2.095 3.737) 4.285 5.636 ( 2.249 3.113 -2.866) 4.793 7.494 ( -1.245 2.020 10.603) 10.865 7.721 ( -10.178 -1.853 14.648) 17.934 8.426 ( 1.154 3.119 -0.054) 3.326 8.921 ( 3.193 -11.340 10.873) 16.032 9.058 ( -0.253 -23.799 9.458) 25.610 9.877 ( 3.456 7.484 4.382) 9.336 10.134 ( -1.214 -5.798 1.309) 6.067 10.825 ( -2.124 -16.986 -2.922) 17.366 10.973 ( -2.549 -8.647 4.035) 9.876 11.429 ( -2.060 -9.997 13.941) 17.278 12.117 ( 1.914 -2.240 9.125) 9.589 12.289 ( -2.757 -1.551 -0.263) 3.174 12.513 ( -0.581 -21.087 3.589) 21.398 12.846 ( 2.552 -5.316 -5.933) 8.365 13.254 ( 8.556 5.803 2.912) 10.741 13.553 ( -4.619 -0.887 0.060) 4.703 14.177 ( -8.324 -4.089 -2.004) 9.488 14.501 ( -3.760 1.068 -4.060) 5.636 15.234 ( 1.822 8.525 -5.838) 10.492 15.495 ( -0.157 24.928 3.866) 25.226 16.781 ( 2.364 1.238 -6.198) 6.748 16.861 ( 0.650 -0.873 -5.838) 5.938 19.569 ( 0.072 1.079 -7.345) 7.424 25.646 ( -5.792 -3.605 5.417) 8.711 27.178 ( 0.521 -3.077 -17.048) 17.331 28.421 ( 1.266 0.438 9.978) 10.068 28.470 ( -0.509 1.364 15.693) 15.760 29.584 ( 11.349 26.683 -10.347) 30.787 30.683 ( -2.912 -2.308 -5.421) 6.572 ======================= Grid point 134 (51/155) ======================= q-point: ( 0.60 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -6.274 6.795 1.757) 9.414 1.514 ( 5.021 -9.090 2.414) 10.662 1.671 ( -1.973 -9.026 6.788) 11.465 2.095 ( 1.143 9.019 0.143) 9.092 2.427 ( -2.628 -4.340 0.605) 5.110 2.682 ( 4.008 -10.005 -9.742) 14.528 2.910 ( -5.467 3.140 -7.842) 10.062 3.021 ( 3.614 1.740 6.002) 7.219 3.092 ( -1.956 2.704 4.309) 5.450 3.229 ( -1.349 -5.201 27.802) 28.316 3.696 ( 4.954 4.545 0.575) 6.748 3.782 ( -2.268 -1.551 4.794) 5.525 3.952 ( -0.547 0.882 0.850) 1.341 4.173 ( -0.737 -6.039 4.260) 7.427 4.320 ( 1.913 10.481 6.084) 12.269 4.589 ( 0.852 4.907 3.831) 6.283 4.629 ( -1.314 5.326 -0.170) 5.488 4.954 ( 2.253 -1.270 7.191) 7.642 5.594 ( 1.481 2.741 -2.120) 3.768 7.444 ( 1.707 1.691 11.466) 11.715 7.750 ( -8.288 -6.354 12.857) 16.564 8.380 ( 1.295 1.948 -0.766) 2.461 9.043 ( 1.906 -4.622 24.135) 24.647 9.464 ( 0.641 -7.989 5.443) 9.688 9.853 ( 1.676 -8.245 -0.127) 8.414 10.149 ( -1.069 3.348 -0.238) 3.523 11.061 ( 0.532 -9.701 0.626) 9.736 11.122 ( -1.906 -8.265 2.458) 8.831 11.638 ( -1.516 -14.030 12.290) 18.713 12.085 ( 1.879 5.059 7.230) 9.022 12.225 ( -2.798 6.081 4.053) 7.825 12.841 ( 6.731 -5.843 -5.862) 10.668 13.024 ( -4.820 -16.843 0.692) 17.532 13.089 ( 2.484 12.887 -2.630) 13.385 13.706 ( 1.808 -15.564 -0.211) 15.671 14.238 ( -0.682 -4.360 -3.178) 5.438 14.367 ( -5.559 11.046 -3.649) 12.894 14.921 ( -0.219 19.220 -4.729) 19.794 15.312 ( -0.163 -0.442 7.389) 7.404 16.762 ( 4.248 2.368 -5.173) 7.100 16.870 ( -2.667 -0.027 -7.827) 8.269 19.550 ( 0.047 0.881 -6.768) 6.825 25.679 ( -2.409 -3.566 6.224) 7.567 27.226 ( 0.409 -1.678 -17.088) 17.175 28.424 ( 1.031 0.148 13.061) 13.103 28.445 ( -0.274 1.151 10.924) 10.988 29.220 ( 3.247 17.623 -6.253) 18.979 30.705 ( -0.854 -1.448 -5.522) 5.772 ======================= Grid point 135 (52/155) ======================= q-point: (-0.30 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -5.560 7.853 7.103) 11.960 1.718 ( 3.715 -6.148 -1.271) 7.295 1.850 ( -0.701 -10.859 3.310) 11.374 1.921 ( 0.762 8.029 3.181) 8.670 2.505 ( -1.577 -4.120 -2.180) 4.921 2.748 ( 1.344 5.749 -6.380) 8.692 2.950 ( 0.219 -7.007 -6.773) 9.748 2.998 ( 2.568 -0.263 4.531) 5.215 3.042 ( -2.794 0.725 6.694) 7.289 3.297 ( -0.558 -2.046 30.566) 30.639 3.576 ( 1.058 8.221 -4.167) 9.277 3.840 ( -1.004 -4.103 -0.849) 4.309 3.963 ( 1.044 -2.724 -1.386) 3.230 4.088 ( -0.790 10.761 8.357) 13.648 4.253 ( -1.124 1.609 3.719) 4.205 4.533 ( -0.499 2.913 4.561) 5.435 4.612 ( -0.709 -7.421 2.179) 7.767 4.967 ( 1.976 1.631 7.664) 8.081 5.546 ( 0.409 3.425 -2.631) 4.338 7.480 ( 2.367 -4.144 12.101) 13.008 7.818 ( -4.121 -5.414 10.421) 12.446 8.379 ( 1.418 -0.660 -0.550) 1.658 9.126 ( 2.405 -2.346 27.250) 27.457 9.390 ( -2.819 9.223 15.123) 17.936 10.009 ( -0.253 10.810 -1.881) 10.976 10.095 ( 0.796 -10.916 -8.028) 13.574 11.161 ( 0.154 -0.559 1.839) 1.929 11.229 ( 0.202 -3.427 2.382) 4.178 11.848 ( -0.743 -3.657 7.316) 8.213 12.039 ( 2.224 6.734 8.145) 10.800 12.089 ( -2.127 -5.855 10.764) 12.436 12.807 ( -0.316 10.575 -5.399) 11.878 12.948 ( 1.018 2.173 -9.908) 10.194 13.276 ( -0.200 -11.371 2.207) 11.585 13.877 ( -0.359 29.773 -1.274) 29.803 14.120 ( -0.470 -23.823 -1.093) 23.853 14.409 ( 2.506 -8.286 -1.185) 8.738 14.713 ( -3.041 3.758 -7.063) 8.559 15.361 ( 0.989 -3.623 7.800) 8.657 16.760 ( 4.971 1.306 -5.802) 7.751 16.828 ( -4.794 1.481 -7.608) 9.114 19.541 ( 0.000 0.093 -6.657) 6.658 25.755 ( 0.101 -5.682 5.831) 8.142 27.240 ( 0.171 0.409 -17.134) 17.140 28.417 ( -0.029 1.242 0.193) 1.257 28.433 ( 0.297 -0.302 23.660) 23.664 28.998 ( -0.544 7.768 -3.857) 8.690 30.728 ( 0.012 -1.480 -6.051) 6.229 ======================= Grid point 136 (53/155) ======================= q-point: (-0.20 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( -0.000 -1.024 5.993) 6.080 1.597 ( 0.000 14.604 -2.655) 14.843 1.972 ( -0.000 -6.684 4.777) 8.215 2.039 ( -0.000 -9.362 1.198) 9.439 2.494 ( 0.000 4.828 -8.399) 9.688 2.672 ( 0.000 2.323 -1.083) 2.563 2.836 ( 0.000 12.024 9.518) 15.335 3.088 ( -0.000 -4.808 -2.700) 5.514 3.129 ( -0.000 -3.953 -9.062) 9.886 3.301 ( 0.000 0.551 40.862) 40.866 3.455 ( 0.000 3.487 1.813) 3.930 3.878 ( 0.000 9.852 9.545) 13.718 3.897 ( -0.000 -3.357 -8.586) 9.219 4.119 ( -0.000 -12.420 -3.318) 12.855 4.197 ( 0.000 3.546 4.800) 5.968 4.530 ( -0.000 -3.002 5.632) 6.382 4.779 ( -0.000 -9.078 -0.685) 9.104 4.923 ( 0.000 3.632 9.457) 10.131 5.475 ( 0.000 4.140 -3.558) 5.459 7.608 ( -0.000 -8.114 9.475) 12.474 7.894 ( -0.000 -4.407 7.962) 9.100 8.403 ( -0.000 -0.479 2.363) 2.411 9.114 ( 0.000 6.900 22.890) 23.907 9.171 ( 0.000 12.239 21.153) 24.439 9.807 ( 0.000 8.574 1.558) 8.714 10.204 ( -0.000 -1.024 -10.315) 10.365 11.106 ( 0.000 5.712 4.764) 7.438 11.212 ( 0.000 5.895 1.437) 6.068 11.827 ( 0.000 1.245 6.419) 6.538 11.861 ( 0.000 9.261 8.445) 12.533 12.380 ( -0.000 -17.887 9.710) 20.353 12.601 ( 0.000 10.707 -11.196) 15.492 12.913 ( 0.000 2.842 -1.684) 3.304 13.278 ( 0.000 32.113 1.157) 32.133 13.466 ( -0.000 -9.680 0.466) 9.691 14.447 ( -0.000 -6.547 -4.263) 7.812 14.685 ( -0.000 -23.213 2.295) 23.326 14.688 ( -0.000 -1.742 -12.001) 12.127 15.441 ( -0.000 -4.688 8.854) 10.019 16.766 ( 0.000 1.398 -7.068) 7.205 16.777 ( 0.000 0.529 -6.061) 6.084 19.548 ( -0.000 -0.807 -6.945) 6.992 25.880 ( -0.000 -7.399 3.920) 8.373 27.214 ( 0.000 2.394 -17.265) 17.430 28.400 ( 0.000 0.343 0.557) 0.654 28.450 ( -0.000 -1.458 24.815) 24.858 28.917 ( 0.000 1.225 -2.954) 3.198 30.759 ( -0.000 -1.806 -6.877) 7.110 ======================= Grid point 141 (54/155) ======================= q-point: ( 0.30 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 11.576 -0.000 17.306) 20.821 0.990 ( 9.689 -0.000 9.473) 13.550 1.530 ( 24.434 -0.000 0.094) 24.434 2.005 ( 3.262 -0.000 -4.190) 5.311 2.424 ( -0.201 0.000 10.707) 10.709 2.482 ( 5.372 -0.000 3.323) 6.317 2.847 ( 0.991 -0.000 6.707) 6.780 2.886 ( 1.387 -0.000 1.277) 1.886 3.166 ( -0.547 0.000 -3.444) 3.487 3.247 ( -0.547 0.000 45.066) 45.069 3.559 ( -6.387 0.000 -13.329) 14.780 3.703 ( -0.552 0.000 3.882) 3.921 3.980 ( -2.721 0.000 6.040) 6.625 4.131 ( -3.055 0.000 -3.452) 4.610 4.370 ( -12.945 0.000 2.584) 13.200 4.909 ( 2.154 -0.000 -2.503) 3.302 5.017 ( 0.690 -0.000 -3.267) 3.339 5.281 ( 10.107 -0.000 0.074) 10.107 5.670 ( 3.958 -0.000 -18.525) 18.943 7.289 ( -1.026 0.000 14.152) 14.189 8.143 ( 0.412 -0.000 -5.247) 5.263 8.292 ( -1.638 0.000 24.555) 24.610 8.496 ( -2.346 0.000 6.516) 6.925 8.881 ( -4.099 0.000 -5.898) 7.183 8.979 ( 4.682 -0.000 20.714) 21.236 9.583 ( -4.512 0.000 -0.395) 4.529 10.393 ( 3.427 -0.000 -1.567) 3.768 10.805 ( -3.353 0.000 4.694) 5.769 11.183 ( -8.998 0.000 30.894) 32.178 11.588 ( -3.945 0.000 23.265) 23.597 11.808 ( -5.992 0.000 12.577) 13.931 12.370 ( 0.619 -0.000 -4.840) 4.879 12.606 ( -7.059 0.000 8.691) 11.196 13.141 ( 4.196 -0.000 -2.470) 4.869 13.806 ( 2.597 -0.000 4.786) 5.446 14.208 ( -5.323 0.000 9.126) 10.565 14.411 ( 0.651 -0.000 -6.100) 6.134 15.550 ( -0.485 0.000 -10.150) 10.161 16.613 ( -0.300 0.000 -6.831) 6.838 16.696 ( 0.275 -0.000 -6.437) 6.443 17.051 ( 4.084 -0.000 -13.617) 14.217 19.570 ( 0.288 -0.000 -10.243) 10.247 25.318 ( 0.112 -0.000 6.085) 6.086 27.055 ( -0.934 0.000 -15.415) 15.443 28.452 ( -0.433 0.000 0.473) 0.641 28.557 ( -1.831 0.000 32.744) 32.795 30.366 ( -0.050 0.000 0.206) 0.212 31.017 ( 12.873 -0.000 -41.180) 43.146 ======================= Grid point 142 (55/155) ======================= q-point: ( 0.40 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 6.798 -1.080 8.726) 11.114 1.204 ( 8.158 -8.851 10.316) 15.853 1.607 ( 13.392 6.137 -0.649) 14.745 2.091 ( 3.500 -5.931 -7.836) 10.432 2.375 ( -0.045 2.258 3.545) 4.203 2.553 ( 1.262 -0.060 3.565) 3.783 2.875 ( 2.584 -1.639 11.382) 11.787 2.913 ( 0.501 -3.331 2.942) 4.473 3.144 ( 0.363 2.483 1.477) 2.912 3.277 ( 1.790 -3.583 35.697) 35.921 3.452 ( -9.619 3.760 -2.503) 10.627 3.748 ( 1.301 -3.999 -3.198) 5.283 4.027 ( -0.401 -2.202 2.423) 3.299 4.096 ( -4.467 0.162 -1.076) 4.597 4.326 ( -4.366 -4.547 3.109) 7.029 4.887 ( 0.923 3.789 -1.854) 4.318 4.995 ( 2.195 3.356 -2.213) 4.580 5.201 ( 4.519 11.549 -2.291) 12.612 5.732 ( 6.412 -0.767 -10.632) 12.440 7.316 ( -2.594 -4.197 22.675) 23.205 8.024 ( -1.203 8.952 1.743) 9.199 8.117 ( -2.413 0.772 8.574) 8.941 8.515 ( -1.905 -2.378 4.372) 5.329 8.959 ( 2.588 3.462 16.891) 17.435 9.519 ( -4.460 -45.671 -6.678) 46.372 9.696 ( -3.291 -14.649 2.355) 15.198 10.329 ( 2.736 7.677 -2.362) 8.485 10.792 ( -2.657 -1.572 8.151) 8.716 11.200 ( -4.296 -4.815 27.081) 27.839 11.626 ( -1.722 -8.798 12.344) 15.256 11.913 ( -3.817 -12.703 14.373) 19.558 12.332 ( -1.812 2.730 -3.383) 4.710 12.647 ( -3.355 -6.860 4.499) 8.863 13.182 ( 2.983 -1.964 -2.028) 4.107 13.778 ( 1.828 5.065 5.725) 7.859 14.152 ( -4.746 2.095 4.679) 6.986 14.441 ( -0.171 -2.418 -5.158) 5.699 15.486 ( -0.440 6.089 -9.178) 11.023 16.529 ( 2.020 19.532 -8.919) 21.567 16.653 ( -0.017 -3.959 -6.564) 7.666 16.978 ( 2.813 6.428 -6.803) 9.774 19.581 ( 0.074 -0.625 -9.557) 9.578 25.406 ( -2.538 -8.043 5.117) 9.865 27.069 ( -0.274 -1.986 -16.264) 16.387 28.445 ( 0.059 0.526 1.719) 1.798 28.530 ( -1.126 1.650 29.850) 29.917 30.393 ( 4.654 -0.491 -2.379) 5.250 30.847 ( 5.938 21.870 -29.833) 37.464 ======================= Grid point 143 (56/155) ======================= q-point: ( 0.50 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 1.225 -6.198 1.357) 6.462 1.382 ( 7.014 -4.380 7.395) 11.094 1.527 ( 0.666 5.033 1.939) 5.434 2.209 ( 2.006 -3.408 -5.233) 6.560 2.380 ( -0.122 -3.761 -7.459) 8.355 2.491 ( -1.350 5.296 1.274) 5.612 2.928 ( 1.296 -2.533 1.367) 3.157 2.997 ( 1.422 -3.500 21.441) 21.772 3.093 ( -0.092 1.842 6.124) 6.396 3.236 ( -8.351 4.101 1.060) 9.364 3.509 ( 4.447 -9.305 30.010) 31.732 3.829 ( 3.222 -2.536 -5.103) 6.546 3.976 ( -2.849 2.936 -2.603) 4.849 4.083 ( -5.524 -0.215 1.670) 5.774 4.490 ( 5.885 -9.600 3.353) 11.749 4.779 ( -0.446 8.033 0.272) 8.050 4.921 ( 5.701 8.333 0.877) 10.135 5.017 ( -1.192 7.996 -0.751) 8.119 5.721 ( 2.816 4.603 -3.923) 6.671 7.403 ( -3.626 -7.374 23.875) 25.249 7.789 ( -3.737 12.069 5.966) 13.972 8.389 ( 3.746 -21.456 -1.936) 21.866 8.528 ( -4.133 -4.969 1.931) 6.745 8.936 ( 0.982 -0.341 16.688) 16.721 9.924 ( 0.530 -12.591 5.023) 13.566 10.054 ( 0.317 0.635 -2.222) 2.332 10.390 ( -2.413 -25.000 -6.454) 25.932 10.835 ( -1.967 -4.792 8.135) 9.644 11.278 ( -0.964 -5.942 18.596) 19.546 11.895 ( -0.689 -19.397 11.749) 22.689 12.153 ( -0.290 -13.797 7.916) 15.909 12.286 ( -3.321 -0.232 -1.748) 3.760 12.764 ( 0.538 -6.444 -1.409) 6.619 13.265 ( 2.543 -5.622 -0.762) 6.217 13.640 ( -0.964 10.179 5.724) 11.718 14.090 ( -5.057 0.484 1.653) 5.342 14.479 ( -0.923 -1.601 -5.037) 5.365 15.355 ( -0.164 6.950 -6.386) 9.440 16.056 ( 2.120 31.128 -5.258) 31.640 16.742 ( 0.393 -4.851 -7.486) 8.929 16.906 ( 1.670 3.530 -3.748) 5.412 19.584 ( 0.032 0.382 -8.293) 8.301 25.522 ( -3.567 -6.338 5.153) 8.913 27.120 ( 0.188 -3.352 -16.980) 17.309 28.439 ( 1.058 0.462 4.531) 4.676 28.491 ( -1.049 1.676 23.893) 23.974 30.224 ( 12.895 31.000 -17.070) 37.666 30.601 ( -5.433 -2.156 -5.944) 8.337 ======================= Grid point 144 (57/155) ======================= q-point: ( 0.60 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -1.521 -3.288 -2.827) 4.595 1.436 ( 3.583 -1.258 3.870) 5.422 1.533 ( -1.744 -4.837 8.348) 9.804 2.219 ( 0.787 3.323 -0.487) 3.450 2.398 ( -0.973 2.621 1.240) 3.059 2.507 ( 0.701 -9.341 -13.036) 16.053 2.936 ( -2.196 1.732 -4.132) 4.990 3.046 ( 1.955 -0.669 6.805) 7.112 3.111 ( 0.945 -2.751 19.319) 19.537 3.146 ( -4.074 0.718 8.685) 9.620 3.679 ( 2.098 -5.633 24.943) 25.657 3.850 ( 1.983 3.652 -8.013) 9.027 3.937 ( -1.212 -0.581 -1.511) 2.022 4.064 ( -2.356 -2.872 6.068) 7.115 4.557 ( 3.765 11.630 2.672) 12.513 4.676 ( -0.295 -0.853 0.542) 1.053 4.757 ( 1.360 10.639 2.802) 11.086 4.937 ( 0.111 0.337 3.983) 3.999 5.651 ( 0.436 3.314 -2.022) 3.906 7.512 ( 3.811 -1.404 14.093) 14.667 7.597 ( -8.016 1.202 12.758) 15.116 8.434 ( 0.220 3.315 -0.253) 3.331 8.967 ( 3.058 -7.259 16.121) 17.942 9.041 ( -1.888 -29.540 1.300) 29.629 9.911 ( 1.445 8.469 2.463) 8.937 10.120 ( -0.688 -6.055 4.280) 7.446 10.811 ( -0.265 -18.702 -4.403) 19.215 10.944 ( -1.391 -8.377 6.152) 10.486 11.414 ( -0.505 -9.628 13.766) 16.806 12.134 ( 0.750 -3.365 10.452) 11.006 12.258 ( -1.558 0.355 -0.612) 1.711 12.513 ( 0.177 -24.933 4.014) 25.254 12.872 ( 1.176 -4.015 -7.607) 8.682 13.356 ( 6.339 10.315 3.304) 12.550 13.483 ( -5.290 -6.987 0.331) 8.770 14.099 ( -3.094 -5.260 -0.242) 6.108 14.467 ( -1.306 2.665 -5.118) 5.917 15.250 ( 0.625 6.272 -5.842) 8.594 15.495 ( 0.029 28.002 2.847) 28.147 16.810 ( 1.558 -1.436 -7.614) 7.903 16.861 ( -0.415 1.949 -4.523) 4.942 19.570 ( 0.033 1.068 -7.281) 7.359 25.595 ( -1.891 -4.119 5.984) 7.507 27.183 ( 0.212 -3.152 -17.195) 17.483 28.440 ( 1.503 0.513 10.215) 10.337 28.458 ( -1.173 0.987 15.440) 15.516 29.686 ( 3.933 30.092 -11.833) 32.574 30.654 ( -1.199 -3.600 -4.532) 5.911 ======================= Grid point 145 (58/155) ======================= q-point: ( 0.70 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 0.000 8.474 2.322) 8.786 1.556 ( -0.000 -9.628 2.858) 10.043 1.656 ( -0.000 -9.364 6.507) 11.403 2.103 ( 0.000 9.099 0.012) 9.099 2.409 ( -0.000 -3.983 0.461) 4.010 2.719 ( -0.000 -12.971 -11.548) 17.366 2.862 ( 0.000 5.010 -5.559) 7.484 3.054 ( 0.000 0.881 8.518) 8.564 3.071 ( 0.000 3.804 2.319) 4.455 3.220 ( -0.000 -5.671 27.066) 27.654 3.738 ( 0.000 8.228 -7.004) 10.805 3.758 ( -0.000 -3.558 10.241) 10.842 3.947 ( -0.000 -0.564 2.319) 2.387 4.167 ( -0.000 -6.568 5.220) 8.390 4.333 ( 0.000 12.112 5.821) 13.438 4.595 ( 0.000 5.895 3.559) 6.886 4.620 ( 0.000 5.677 0.409) 5.692 4.969 ( -0.000 -1.808 6.793) 7.030 5.604 ( 0.000 2.586 -2.050) 3.300 7.463 ( 0.000 1.822 10.450) 10.608 7.686 ( -0.000 -7.386 14.526) 16.296 8.388 ( 0.000 1.464 -1.020) 1.784 9.058 ( -0.000 -4.726 24.640) 25.089 9.466 ( -0.000 -7.055 2.914) 7.633 9.865 ( -0.000 -8.302 -0.061) 8.303 10.142 ( 0.000 3.299 1.103) 3.478 11.069 ( -0.000 -9.649 -1.506) 9.765 11.105 ( -0.000 -8.966 4.588) 10.072 11.628 ( -0.000 -14.016 12.145) 18.546 12.099 ( 0.000 5.164 8.570) 10.006 12.203 ( 0.000 5.577 2.635) 6.169 12.906 ( 0.000 0.494 -8.214) 8.229 12.972 ( -0.000 -21.993 4.090) 22.370 13.108 ( 0.000 13.866 -3.691) 14.349 13.717 ( -0.000 -17.340 -0.233) 17.342 14.241 ( -0.000 -10.069 -1.798) 10.229 14.323 ( 0.000 14.948 -4.710) 15.672 14.918 ( 0.000 20.948 -3.778) 21.286 15.312 ( -0.000 -1.176 6.525) 6.630 16.814 ( 0.000 1.953 -4.776) 5.160 16.828 ( 0.000 0.754 -8.335) 8.369 19.551 ( 0.000 0.895 -6.751) 6.810 25.663 ( -0.000 -4.307 6.371) 7.690 27.229 ( -0.000 -1.658 -17.151) 17.230 28.435 ( 0.000 0.464 24.083) 24.087 28.439 ( 0.000 0.881 -0.042) 0.882 29.242 ( 0.000 19.175 -6.619) 20.285 30.699 ( -0.000 -1.833 -5.373) 5.677 ======================= Grid point 153 (59/155) ======================= q-point: ( 0.40 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 4.523 -0.000 8.052) 9.235 1.095 ( 7.029 -0.000 17.264) 18.640 1.794 ( 14.276 -0.000 -7.994) 16.362 2.041 ( 1.941 -0.000 -5.914) 6.225 2.433 ( 1.576 -0.000 14.506) 14.592 2.556 ( 5.303 -0.000 1.278) 5.455 2.838 ( -2.016 0.000 7.197) 7.474 2.906 ( 1.350 -0.000 -2.737) 3.052 3.173 ( 1.361 -0.000 0.616) 1.494 3.251 ( 1.185 -0.000 44.817) 44.833 3.440 ( -9.905 0.000 -11.558) 15.222 3.685 ( -1.986 0.000 -1.124) 2.282 3.997 ( 4.320 -0.000 1.207) 4.486 4.108 ( -0.455 0.000 -0.339) 0.568 4.211 ( -10.735 0.000 1.101) 10.791 4.929 ( 0.880 -0.000 -2.655) 2.797 5.029 ( 0.883 -0.000 -2.786) 2.922 5.394 ( 6.459 -0.000 -0.630) 6.490 5.705 ( 1.473 -0.000 -18.378) 18.437 7.276 ( -0.740 0.000 18.524) 18.538 8.148 ( 0.300 -0.000 -5.708) 5.716 8.262 ( -2.156 0.000 29.687) 29.766 8.469 ( -1.588 0.000 7.487) 7.653 8.836 ( -2.485 0.000 -5.823) 6.332 9.029 ( 2.649 -0.000 19.459) 19.638 9.527 ( -3.396 0.000 0.297) 3.409 10.441 ( 3.350 -0.000 -6.671) 7.465 10.761 ( -2.966 0.000 9.756) 10.197 11.113 ( -2.370 0.000 25.778) 25.887 11.562 ( -0.725 0.000 17.837) 17.852 11.744 ( -3.444 0.000 12.520) 12.985 12.376 ( 0.286 -0.000 -5.069) 5.077 12.531 ( -4.059 0.000 7.563) 8.583 13.185 ( 2.384 -0.000 -2.428) 3.402 13.845 ( 2.845 -0.000 6.829) 7.398 14.153 ( -3.098 0.000 3.744) 4.859 14.419 ( 0.403 -0.000 -6.120) 6.133 15.545 ( -0.263 0.000 -10.449) 10.452 16.610 ( -0.111 0.000 -6.729) 6.730 16.698 ( 0.105 -0.000 -6.685) 6.686 17.086 ( 1.543 -0.000 -11.927) 12.026 19.573 ( 0.177 -0.000 -10.062) 10.063 25.320 ( 0.071 -0.000 6.102) 6.102 27.048 ( -0.297 0.000 -16.259) 16.262 28.448 ( -0.268 0.000 0.293) 0.398 28.541 ( -0.718 0.000 32.612) 32.619 30.365 ( -0.031 0.000 0.179) 0.182 31.128 ( 4.803 -0.000 -35.091) 35.418 ======================= Grid point 154 (60/155) ======================= q-point: ( 0.50 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 2.338 0.807 7.877) 8.256 1.272 ( 2.467 -8.675 10.690) 13.987 1.738 ( 5.424 11.152 -3.685) 12.936 2.128 ( 1.716 -6.001 -9.956) 11.751 2.378 ( 0.359 3.518 5.949) 6.921 2.563 ( 0.210 2.954 0.883) 3.090 2.905 ( 1.720 -3.634 12.464) 13.096 2.917 ( -0.054 -3.042 4.274) 5.247 3.145 ( -0.067 3.047 4.179) 5.172 3.283 ( -1.472 3.997 1.865) 4.650 3.366 ( -2.178 -5.891 30.636) 31.273 3.759 ( 0.322 -6.608 -7.243) 9.810 4.001 ( -1.648 2.787 0.939) 3.371 4.064 ( -1.288 0.662 -1.724) 2.252 4.302 ( -0.093 -11.594 3.149) 12.014 4.894 ( 0.230 4.269 -2.208) 4.812 5.018 ( 1.010 1.807 -2.192) 3.015 5.244 ( 1.734 13.966 -3.442) 14.488 5.789 ( 2.187 -1.699 -10.086) 10.460 7.290 ( -1.123 -2.302 26.866) 26.988 8.013 ( -0.458 12.060 -0.002) 12.068 8.093 ( -1.005 -2.316 10.203) 10.511 8.497 ( -0.686 -1.970 3.347) 3.944 8.981 ( 0.799 4.230 15.745) 16.323 9.476 ( -1.760 -47.312 -3.181) 47.451 9.663 ( -1.386 -14.080 4.571) 14.868 10.361 ( 1.585 8.608 -6.426) 10.858 10.763 ( -1.311 -2.105 11.312) 11.581 11.172 ( -0.691 -5.586 22.901) 23.583 11.610 ( -0.607 -8.547 12.368) 15.047 11.880 ( -1.242 -13.736 13.550) 19.335 12.313 ( -0.880 3.969 -2.306) 4.674 12.618 ( -1.085 -8.394 2.694) 8.882 13.209 ( 1.051 -1.587 -1.826) 2.638 13.802 ( 1.245 6.342 7.587) 9.967 14.108 ( -1.842 2.750 1.812) 3.774 14.440 ( -0.006 -1.889 -5.851) 6.148 15.482 ( -0.150 6.114 -9.362) 11.182 16.545 ( 0.602 18.273 -8.748) 20.268 16.653 ( 0.011 -4.315 -6.915) 8.151 17.002 ( 0.841 6.521 -6.519) 9.259 19.582 ( 0.044 -0.539 -9.436) 9.452 25.386 ( -0.698 -6.209 5.585) 8.380 27.067 ( -0.051 -2.202 -16.685) 16.830 28.446 ( 0.109 -0.000 0.455) 0.468 28.519 ( -0.433 1.759 30.930) 30.983 30.426 ( 0.983 -5.722 -0.899) 5.875 30.900 ( 2.014 25.462 -29.214) 38.805 ======================= Grid point 155 (61/155) ======================= q-point: ( 0.60 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -0.000 -4.802 0.901) 4.886 1.424 ( -0.000 -6.843 7.471) 10.131 1.540 ( 0.000 10.044 1.654) 10.180 2.224 ( -0.000 -2.894 -4.761) 5.571 2.380 ( -0.000 -4.074 -7.952) 8.935 2.480 ( 0.000 5.477 0.847) 5.542 2.932 ( -0.000 -1.261 -3.039) 3.290 3.008 ( -0.000 -3.965 30.316) 30.574 3.096 ( 0.000 1.668 3.037) 3.465 3.175 ( 0.000 4.015 -0.450) 4.040 3.541 ( -0.000 -9.958 31.969) 33.484 3.863 ( -0.000 -3.194 -8.797) 9.359 3.944 ( 0.000 1.680 -0.527) 1.761 4.045 ( 0.000 1.103 1.934) 2.226 4.534 ( -0.000 -11.688 2.885) 12.039 4.775 ( 0.000 8.921 -0.450) 8.933 4.977 ( 0.000 3.018 -0.561) 3.069 4.992 ( 0.000 13.697 0.049) 13.697 5.738 ( 0.000 5.726 -3.376) 6.648 7.378 ( -0.000 -7.792 26.614) 27.731 7.764 ( 0.000 13.286 4.113) 13.908 8.423 ( -0.000 -29.716 -0.780) 29.726 8.491 ( 0.000 2.227 0.718) 2.340 8.942 ( -0.000 -0.086 15.819) 15.819 9.928 ( -0.000 -13.839 6.700) 15.375 10.053 ( -0.000 -0.590 -3.623) 3.671 10.377 ( -0.000 -23.477 -5.827) 24.189 10.820 ( -0.000 -4.730 9.073) 10.232 11.273 ( -0.000 -6.060 17.600) 18.614 11.890 ( -0.000 -19.997 12.319) 23.487 12.152 ( -0.000 -15.474 8.304) 17.562 12.262 ( 0.000 1.134 -1.964) 2.268 12.768 ( -0.000 -7.675 -2.389) 8.038 13.281 ( -0.000 -6.753 -0.476) 6.770 13.635 ( 0.000 12.028 6.621) 13.730 14.056 ( 0.000 1.241 1.202) 1.727 14.473 ( -0.000 -1.190 -5.626) 5.750 15.354 ( 0.000 6.785 -6.475) 9.379 16.070 ( 0.000 31.286 -5.605) 31.784 16.745 ( -0.000 -5.010 -7.521) 9.037 16.917 ( 0.000 3.553 -3.731) 5.152 19.584 ( 0.000 0.376 -8.246) 8.255 25.499 ( -0.000 -5.870 5.485) 8.034 27.121 ( -0.000 -3.458 -17.113) 17.459 28.449 ( -0.000 -0.088 0.067) 0.111 28.481 ( 0.000 1.967 28.320) 28.388 30.319 ( 0.000 35.577 -20.225) 40.924 30.554 ( -0.000 -6.589 -2.758) 7.143 ======================= Grid point 166 (62/155) ======================= q-point: (-0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 0.000 -0.000 7.737) 7.737 1.143 ( 0.000 -0.000 17.731) 17.731 1.889 ( 0.000 -0.000 -11.372) 11.372 2.054 ( 0.000 0.000 -6.631) 6.631 2.449 ( -0.000 0.000 16.677) 16.677 2.598 ( 0.000 0.000 0.040) 0.040 2.818 ( 0.000 0.000 7.372) 7.372 2.916 ( -0.000 0.000 -4.885) 4.885 3.186 ( 0.000 -0.000 3.241) 3.241 3.270 ( -0.000 0.000 49.310) 49.310 3.355 ( 0.000 0.000 -14.401) 14.401 3.668 ( 0.000 0.000 -4.044) 4.044 4.060 ( -0.000 0.000 -4.129) 4.129 4.107 ( -0.000 0.000 3.280) 3.280 4.108 ( 0.000 0.000 1.493) 1.493 4.934 ( -0.000 0.000 -2.757) 2.757 5.035 ( 0.000 0.000 -2.577) 2.577 5.439 ( 0.000 -0.000 -1.134) 1.134 5.714 ( -0.000 0.000 -18.054) 18.054 7.271 ( 0.000 0.000 20.312) 20.312 8.150 ( -0.000 0.000 -5.871) 5.871 8.246 ( -0.000 0.000 30.846) 30.846 8.458 ( 0.000 0.000 7.770) 7.770 8.820 ( 0.000 0.000 -5.762) 5.762 9.046 ( 0.000 -0.000 19.113) 19.113 9.503 ( -0.000 0.000 0.633) 0.633 10.466 ( -0.000 0.000 -10.071) 10.071 10.739 ( 0.000 -0.000 13.115) 13.115 11.101 ( 0.000 -0.000 23.111) 23.111 11.558 ( 0.000 0.000 16.885) 16.885 11.721 ( 0.000 0.000 12.483) 12.483 12.378 ( 0.000 -0.000 -5.161) 5.161 12.503 ( -0.000 0.000 7.244) 7.244 13.201 ( 0.000 0.000 -2.417) 2.417 13.867 ( 0.000 -0.000 8.439) 8.439 14.131 ( 0.000 0.000 1.290) 1.290 14.421 ( 0.000 0.000 -6.127) 6.127 15.543 ( 0.000 -0.000 -10.534) 10.534 16.609 ( 0.000 -0.000 -6.758) 6.758 16.699 ( 0.000 -0.000 -6.713) 6.713 17.095 ( 0.000 -0.000 -11.430) 11.430 19.575 ( 0.000 -0.000 -9.993) 9.993 25.320 ( 0.000 -0.000 6.108) 6.108 27.046 ( 0.000 0.000 -16.488) 16.488 28.446 ( 0.000 -0.000 0.224) 0.224 28.536 ( -0.000 0.000 32.553) 32.553 30.365 ( 0.000 0.000 0.169) 0.169 31.158 ( 0.000 -0.000 -33.198) 33.198 ======================= Grid point 214 (63/155) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 0.000 0.000 8.126) 8.126 1.046 ( 0.000 0.000 22.182) 22.182 1.584 ( 0.000 0.000 26.116) 26.116 1.858 ( 0.000 0.000 -4.756) 4.756 2.501 ( 0.000 0.000 6.262) 6.262 2.620 ( 0.000 0.000 12.562) 12.562 2.721 ( 0.000 0.000 -4.894) 4.894 2.865 ( 0.000 0.000 -4.258) 4.258 3.159 ( 0.000 0.000 2.108) 2.108 3.358 ( 0.000 0.000 -3.914) 3.914 3.913 ( 0.000 0.000 6.452) 6.452 4.177 ( 0.000 0.000 1.092) 1.092 4.348 ( 0.000 0.000 18.189) 18.189 4.458 ( 0.000 0.000 -0.290) 0.290 4.806 ( 0.000 0.000 28.357) 28.357 4.856 ( 0.000 0.000 -2.770) 2.770 4.856 ( 0.000 0.000 -3.129) 3.129 5.027 ( 0.000 0.000 -5.026) 5.026 5.546 ( 0.000 0.000 16.389) 16.389 7.448 ( 0.000 0.000 6.765) 6.765 8.023 ( 0.000 0.000 -6.466) 6.466 8.081 ( 0.000 0.000 4.100) 4.100 8.706 ( 0.000 0.000 4.817) 4.817 8.836 ( 0.000 0.000 -9.911) 9.911 9.515 ( 0.000 0.000 -15.066) 15.066 9.637 ( 0.000 0.000 47.585) 47.585 10.408 ( 0.000 0.000 0.018) 0.018 11.038 ( 0.000 0.000 17.744) 17.744 11.619 ( 0.000 0.000 10.895) 10.895 12.228 ( 0.000 0.000 -4.270) 4.270 12.309 ( 0.000 0.000 14.297) 14.297 12.688 ( 0.000 0.000 17.345) 17.345 12.910 ( 0.000 0.000 -6.036) 6.036 13.023 ( 0.000 0.000 1.071) 1.071 13.909 ( 0.000 0.000 -3.270) 3.270 14.197 ( 0.000 0.000 -12.746) 12.746 14.888 ( 0.000 0.000 -14.700) 14.700 15.728 ( 0.000 0.000 -2.985) 2.985 16.352 ( 0.000 0.000 -16.620) 16.620 16.568 ( 0.000 0.000 -7.390) 7.390 16.572 ( 0.000 0.000 21.811) 21.811 19.241 ( 0.000 0.000 -19.583) 19.583 25.485 ( 0.000 0.000 9.726) 9.726 26.905 ( 0.000 0.000 -15.640) 15.640 28.494 ( 0.000 0.000 1.867) 1.867 28.950 ( 0.000 0.000 -5.852) 5.852 29.660 ( 0.000 0.000 14.274) 14.274 30.372 ( 0.000 0.000 0.091) 0.091 ======================= Grid point 215 (64/155) ======================= q-point: ( 0.10 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 5.989 -6.936 6.391) 11.172 1.009 ( 3.071 0.973 20.238) 20.493 1.740 ( -3.063 -14.466 21.261) 25.898 1.878 ( 0.887 -2.318 -5.383) 5.927 2.464 ( 0.254 3.870 3.083) 4.955 2.607 ( -0.001 0.720 8.778) 8.808 2.780 ( 3.883 -3.118 -3.826) 6.280 2.889 ( -0.938 -1.763 -3.075) 3.667 3.044 ( 1.430 7.140 2.892) 7.835 3.460 ( -1.263 -7.036 -3.765) 8.080 3.897 ( -2.371 0.841 6.947) 7.389 4.003 ( -0.220 11.758 4.405) 12.558 4.359 ( -4.986 3.041 6.616) 8.825 4.412 ( 0.776 0.822 12.521) 12.572 4.745 ( -2.953 4.867 2.716) 6.307 4.844 ( -0.855 0.293 17.384) 17.407 4.892 ( 7.019 0.989 -1.984) 7.361 5.104 ( 1.543 -6.320 -2.518) 6.976 5.411 ( -3.147 9.818 20.140) 22.625 7.549 ( 0.345 -12.150 7.991) 14.546 8.073 ( -3.761 -3.045 0.764) 4.900 8.167 ( 6.093 -4.644 -0.976) 7.723 8.674 ( -1.116 -1.436 1.167) 2.161 9.265 ( 0.357 -36.466 -13.465) 38.874 9.436 ( 0.972 3.346 7.469) 8.242 9.774 ( 0.863 -9.817 24.840) 26.724 10.386 ( -1.378 0.432 1.903) 2.389 11.055 ( 0.383 -1.739 17.038) 17.131 11.732 ( -0.391 -11.277 10.134) 15.167 12.207 ( -2.102 1.660 -3.275) 4.231 12.250 ( -1.461 5.531 10.752) 12.179 12.600 ( -1.761 7.438 16.941) 18.585 12.915 ( 0.283 -0.282 -0.429) 0.586 13.013 ( 0.276 0.803 2.182) 2.342 13.848 ( -1.085 5.122 -4.375) 6.824 14.246 ( -0.915 -4.318 -10.281) 11.189 14.769 ( -4.065 9.859 -11.381) 15.597 15.626 ( -9.084 6.512 0.230) 11.180 16.199 ( 3.075 14.085 -0.503) 14.426 16.549 ( -3.788 -0.156 -3.958) 5.481 16.624 ( 7.069 -0.778 1.501) 7.269 19.268 ( 0.016 -2.150 -19.771) 19.888 25.645 ( -1.484 -14.583 3.588) 15.091 26.870 ( -2.451 2.301 -14.493) 14.878 28.484 ( -0.192 1.000 1.853) 2.114 28.954 ( 6.106 2.027 -4.345) 7.764 29.509 ( 5.238 14.490 18.541) 24.107 30.467 ( -0.252 -7.083 -5.070) 8.714 ======================= Grid point 216 (65/155) ======================= q-point: ( 0.20 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 4.843 -5.669 5.182) 9.080 1.131 ( 6.238 -9.141 11.133) 15.698 1.908 ( -4.910 -6.591 -0.693) 8.248 2.004 ( -2.849 -10.177 4.612) 11.530 2.377 ( -1.171 5.041 -0.092) 5.176 2.592 ( -1.020 1.103 4.261) 4.518 2.790 ( 3.011 3.880 -2.024) 5.312 2.893 ( -1.481 -0.702 -4.491) 4.781 3.064 ( 10.382 -3.569 2.122) 11.182 3.531 ( -2.186 -1.286 -3.099) 4.005 3.794 ( -2.523 6.812 3.226) 7.948 3.914 ( 0.127 -0.770 4.477) 4.544 4.270 ( -2.579 2.381 7.761) 8.518 4.387 ( -2.122 2.608 13.182) 13.604 4.628 ( 0.603 5.371 0.454) 5.424 4.809 ( -0.109 2.841 23.763) 23.933 4.894 ( 3.929 3.221 -2.302) 5.578 5.188 ( -3.877 -1.192 19.241) 19.664 5.305 ( 6.457 0.054 4.452) 7.844 7.773 ( -2.114 -7.540 7.315) 10.716 8.122 ( 2.938 -0.634 4.212) 5.174 8.307 ( -3.378 -14.347 2.707) 14.986 8.718 ( -2.668 -5.151 -0.269) 5.808 9.419 ( 0.098 -2.873 12.491) 12.818 9.882 ( 0.877 -17.646 0.686) 17.681 9.972 ( 3.699 -12.704 12.625) 18.289 10.482 ( -3.475 -16.892 -0.866) 17.267 11.104 ( 0.637 -3.231 15.066) 15.422 11.901 ( -5.533 -2.242 13.365) 14.638 12.132 ( 0.219 -1.479 10.664) 10.768 12.198 ( -0.259 -0.430 -7.919) 7.935 12.498 ( -0.188 -0.044 13.674) 13.675 12.896 ( -3.316 2.322 4.365) 5.953 13.020 ( 5.964 0.138 2.142) 6.339 13.733 ( -0.825 6.619 -3.669) 7.613 14.299 ( -4.813 -2.552 -8.042) 9.714 14.566 ( -1.993 7.922 -8.894) 12.076 15.416 ( -5.708 10.893 1.831) 12.434 15.951 ( 0.376 13.457 6.850) 15.105 16.544 ( -2.142 -1.476 -9.309) 9.666 16.661 ( 5.439 1.277 -2.886) 6.289 19.298 ( -0.003 -0.982 -18.941) 18.966 25.868 ( -5.309 -10.295 0.402) 11.590 26.822 ( -1.396 0.757 -13.761) 13.852 28.459 ( -0.089 1.432 1.782) 2.288 28.945 ( 6.801 3.708 -0.094) 7.747 29.294 ( 7.384 12.861 18.178) 23.460 30.559 ( -0.967 -3.190 -8.425) 9.060 ======================= Grid point 217 (66/155) ======================= q-point: ( 0.30 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 6.242 -3.888 5.448) 9.152 1.348 ( 2.808 -10.371 4.911) 11.814 1.980 ( -7.135 -4.339 0.693) 8.379 2.100 ( -1.906 -2.562 -2.829) 4.266 2.286 ( -0.303 3.301 -3.193) 4.602 2.559 ( -5.883 -1.178 1.287) 6.136 2.764 ( 4.024 1.570 -4.773) 6.438 2.882 ( -1.830 1.242 -8.174) 8.468 3.210 ( 11.375 -2.573 0.563) 11.676 3.466 ( -3.888 5.112 -0.665) 6.457 3.698 ( 0.478 2.650 -1.500) 3.082 3.936 ( -2.669 -0.289 2.092) 3.404 4.232 ( 1.535 0.916 6.088) 6.345 4.319 ( 2.486 2.835 9.126) 9.874 4.602 ( 1.283 -1.034 11.448) 11.566 4.753 ( 0.660 3.382 22.618) 22.879 4.835 ( 0.514 4.170 9.113) 10.035 5.169 ( -2.730 0.099 26.126) 26.269 5.387 ( 6.925 -2.225 -4.654) 8.635 7.783 ( -5.016 1.351 7.317) 8.974 8.116 ( 0.795 1.167 6.413) 6.566 8.472 ( -2.781 -0.699 3.996) 4.918 8.981 ( -2.981 -26.241 1.535) 26.455 9.520 ( 1.196 -7.121 11.640) 13.698 10.001 ( -1.619 -2.252 15.816) 16.057 10.168 ( 5.212 -3.671 14.804) 16.118 10.883 ( -5.320 -23.141 -3.990) 24.078 11.176 ( 0.527 -3.886 12.084) 12.705 11.849 ( -5.469 -3.283 13.451) 14.886 12.181 ( 4.892 1.316 2.190) 5.519 12.239 ( 3.180 -2.124 0.155) 3.828 12.679 ( -3.108 -16.145 4.326) 17.001 12.792 ( -2.528 4.397 3.644) 6.245 13.077 ( 8.035 -1.024 2.467) 8.467 13.603 ( -1.067 6.079 -1.704) 6.403 14.268 ( -7.280 0.306 -7.445) 10.417 14.476 ( 0.154 2.820 -8.551) 9.005 15.137 ( -0.848 17.701 1.359) 17.774 15.739 ( -3.992 7.881 10.464) 13.694 16.566 ( 0.178 -1.386 -12.343) 12.422 16.655 ( 3.147 2.189 -3.914) 5.479 19.307 ( 0.110 -0.027 -17.754) 17.754 25.940 ( -6.153 -2.603 3.615) 7.596 26.831 ( 0.057 -1.879 -14.725) 14.844 28.436 ( 0.332 1.029 1.550) 1.890 28.911 ( 4.777 4.005 3.806) 7.303 29.138 ( 5.689 9.048 14.902) 18.339 30.581 ( -1.091 -0.407 -8.912) 8.988 ======================= Grid point 218 (67/155) ======================= q-point: ( 0.40 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 9.281 -5.605 8.132) 13.553 1.515 ( -2.618 -6.709 0.720) 7.238 1.936 ( -6.185 1.866 5.090) 8.225 2.081 ( 0.433 4.942 0.644) 5.003 2.322 ( 2.729 -7.015 -11.481) 13.728 2.567 ( -6.187 -3.051 -1.439) 7.047 2.761 ( 1.973 2.334 -11.165) 11.576 2.818 ( -2.454 3.117 -8.742) 9.600 3.221 ( -0.332 4.485 1.644) 4.789 3.411 ( 3.583 0.267 -4.043) 5.409 3.689 ( 0.266 -1.266 -0.871) 1.559 3.861 ( -0.390 5.763 -3.521) 6.765 4.258 ( 2.112 -0.043 6.038) 6.396 4.349 ( 5.140 -3.899 9.643) 11.602 4.629 ( -1.385 0.337 14.750) 14.819 4.696 ( -0.963 1.515 19.756) 19.838 4.774 ( 1.835 2.941 20.368) 20.661 5.140 ( -1.457 1.424 23.877) 23.964 5.461 ( 3.389 -1.864 -2.332) 4.516 7.717 ( -3.444 1.838 9.031) 9.839 8.114 ( 0.337 -0.498 8.334) 8.355 8.404 ( -2.796 3.643 3.118) 5.551 9.404 ( -3.870 -17.394 1.842) 17.914 9.696 ( 2.142 -11.668 7.094) 13.822 10.005 ( 1.607 0.901 23.319) 23.392 10.192 ( 1.458 3.449 16.828) 17.239 11.154 ( -4.918 -10.844 0.640) 11.925 11.243 ( 0.716 -2.662 8.831) 9.252 12.000 ( 0.064 -13.153 12.595) 18.211 12.144 ( 1.642 3.622 7.398) 8.399 12.357 ( 2.277 -7.321 -7.528) 10.745 12.593 ( -1.975 8.992 4.059) 10.061 12.881 ( 4.130 5.264 -3.357) 7.486 13.241 ( -3.427 -14.487 4.912) 15.676 13.586 ( 5.246 -6.847 -1.110) 8.697 14.224 ( -5.146 1.396 -5.537) 7.687 14.404 ( -2.674 4.477 -7.350) 9.012 14.782 ( 1.507 19.130 0.007) 19.190 15.619 ( -3.526 2.729 11.830) 12.642 16.590 ( 0.856 -0.697 -9.991) 10.052 16.634 ( 1.392 1.530 -8.141) 8.400 19.305 ( 0.126 0.179 -16.877) 16.878 25.921 ( -3.676 0.290 6.754) 7.695 26.870 ( 0.232 -1.788 -15.389) 15.495 28.428 ( 0.526 0.271 1.134) 1.279 28.871 ( 2.670 2.835 3.955) 5.551 29.037 ( 2.249 4.729 14.971) 15.860 30.573 ( -0.629 0.357 -8.817) 8.846 ======================= Grid point 219 (68/155) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 0.000 -0.000 9.002) 9.002 1.542 ( 0.000 0.000 0.166) 0.166 1.912 ( 0.000 -0.000 1.700) 1.700 2.004 ( 0.000 -0.000 5.202) 5.202 2.470 ( 0.000 -0.000 -12.939) 12.939 2.539 ( -0.000 -0.000 -5.297) 5.297 2.708 ( 0.000 0.000 -10.719) 10.719 2.791 ( -0.000 -0.000 -8.161) 8.161 3.169 ( 0.000 -0.000 1.928) 1.928 3.422 ( 0.000 -0.000 -5.122) 5.122 3.736 ( 0.000 0.000 0.043) 0.043 3.772 ( -0.000 -0.000 -6.266) 6.266 4.262 ( 0.000 -0.000 6.790) 6.790 4.441 ( 0.000 -0.000 8.351) 8.351 4.574 ( -0.000 -0.000 7.882) 7.882 4.701 ( 0.000 0.000 42.833) 42.833 4.751 ( -0.000 -0.000 6.913) 6.913 5.117 ( 0.000 -0.000 24.039) 24.039 5.491 ( 0.000 0.000 -0.774) 0.774 7.688 ( -0.000 -0.000 9.661) 9.661 8.125 ( -0.000 -0.000 9.701) 9.701 8.353 ( 0.000 -0.000 2.279) 2.279 9.532 ( 0.000 -0.000 2.001) 2.001 9.870 ( 0.000 -0.000 2.977) 2.977 10.018 ( 0.000 0.000 21.371) 21.371 10.110 ( 0.000 -0.000 23.149) 23.149 11.242 ( 0.000 0.000 1.255) 1.255 11.266 ( -0.000 -0.000 7.748) 7.748 12.108 ( 0.000 -0.000 8.828) 8.828 12.206 ( 0.000 -0.000 10.835) 10.835 12.352 ( -0.000 0.000 11.841) 11.841 12.574 ( 0.000 -0.000 -20.297) 20.297 12.760 ( -0.000 0.000 0.891) 0.891 13.349 ( 0.000 -0.000 5.290) 5.290 13.866 ( 0.000 -0.000 -2.454) 2.454 14.050 ( -0.000 0.000 -6.522) 6.522 14.361 ( 0.000 -0.000 3.668) 3.668 14.588 ( 0.000 -0.000 -8.087) 8.087 15.584 ( -0.000 -0.000 11.989) 11.989 16.600 ( -0.000 -0.000 -1.118) 1.118 16.623 ( 0.000 0.000 -17.562) 17.562 19.304 ( 0.000 -0.000 -16.553) 16.553 25.903 ( 0.000 -0.000 7.856) 7.856 26.889 ( 0.000 -0.000 -15.543) 15.543 28.428 ( 0.000 -0.000 0.883) 0.883 28.852 ( 0.000 -0.000 2.952) 2.952 29.001 ( 0.000 -0.000 16.148) 16.148 30.567 ( 0.000 -0.000 -8.752) 8.752 ======================= Grid point 226 (69/155) ======================= q-point: ( 0.10 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 14.062 -0.000 6.419) 15.458 1.077 ( 4.410 -0.000 20.253) 20.728 1.566 ( -2.117 0.000 24.661) 24.752 1.864 ( 0.855 -0.000 -4.957) 5.030 2.531 ( 4.069 -0.000 6.544) 7.705 2.597 ( -2.202 0.000 9.903) 10.145 2.777 ( 7.221 -0.000 -2.025) 7.500 2.861 ( -0.600 0.000 -3.668) 3.716 3.149 ( -1.496 0.000 2.044) 2.533 3.343 ( -2.351 0.000 -5.127) 5.640 3.887 ( -3.331 0.000 5.786) 6.676 4.156 ( -3.177 0.000 -0.020) 3.177 4.275 ( -9.342 0.000 13.954) 16.792 4.456 ( -2.138 0.000 6.587) 6.925 4.795 ( -0.861 0.000 20.560) 20.578 4.815 ( -0.388 0.000 -2.349) 2.381 4.968 ( 10.456 -0.000 -2.462) 10.742 5.042 ( 1.296 -0.000 4.845) 5.016 5.480 ( -7.976 0.000 13.299) 15.508 7.432 ( -1.456 0.000 5.886) 6.064 8.019 ( -0.500 0.000 -6.674) 6.693 8.201 ( 15.619 -0.000 4.030) 16.131 8.701 ( -0.608 0.000 5.953) 5.984 8.816 ( -2.904 0.000 -10.078) 10.488 9.518 ( 0.324 -0.000 -13.905) 13.909 9.650 ( 1.821 -0.000 47.194) 47.230 10.391 ( -2.441 0.000 -0.611) 2.516 11.043 ( 0.760 -0.000 17.794) 17.811 11.614 ( -0.810 0.000 11.137) 11.166 12.205 ( -3.285 0.000 0.037) 3.285 12.300 ( -1.190 0.000 9.604) 9.678 12.639 ( -7.179 0.000 19.491) 20.771 12.937 ( 3.780 -0.000 -5.680) 6.823 12.996 ( -4.557 0.000 2.879) 5.390 13.884 ( -3.137 0.000 -1.960) 3.699 14.200 ( 0.379 -0.000 -12.756) 12.762 14.817 ( -10.588 0.000 -7.080) 12.738 15.591 ( -15.393 0.000 3.999) 15.904 16.355 ( 0.384 -0.000 -16.531) 16.535 16.564 ( -0.544 0.000 -7.487) 7.507 16.659 ( 9.898 -0.000 11.018) 14.810 19.243 ( 0.303 -0.000 -19.605) 19.607 25.485 ( 0.055 -0.000 9.708) 9.708 26.866 ( -4.995 0.000 -14.454) 15.293 28.491 ( -0.460 0.000 1.833) 1.890 29.029 ( 9.434 -0.000 0.021) 9.434 29.739 ( 11.947 -0.000 1.806) 12.082 30.372 ( -0.079 0.000 0.067) 0.104 ======================= Grid point 227 (70/155) ======================= q-point: ( 0.20 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 13.388 -2.303 5.773) 14.760 1.084 ( 8.131 -0.946 16.738) 18.632 1.680 ( -4.924 -10.980 17.733) 21.430 1.893 ( 1.133 -2.819 -5.520) 6.301 2.463 ( -0.453 5.633 4.579) 7.273 2.617 ( 1.434 0.570 5.930) 6.127 2.863 ( 5.806 -1.141 -2.110) 6.282 2.871 ( 0.345 -0.521 -3.680) 3.733 3.079 ( 3.679 0.945 4.102) 5.590 3.426 ( -3.953 -7.170 -4.786) 9.484 3.849 ( -4.841 1.833 6.576) 8.369 3.978 ( -3.419 8.673 3.227) 9.865 4.284 ( -5.890 -1.535 6.571) 8.957 4.386 ( -4.551 2.619 9.718) 11.046 4.735 ( 1.530 4.450 7.361) 8.736 4.838 ( 0.033 0.130 10.898) 10.899 4.986 ( 5.794 2.811 2.021) 6.750 5.122 ( -0.310 -3.508 12.659) 13.140 5.375 ( 0.435 3.799 6.754) 7.761 7.558 ( 1.090 -12.991 7.575) 15.078 8.028 ( -3.046 -3.376 -3.153) 5.533 8.257 ( 6.386 3.943 3.361) 8.224 8.646 ( -3.038 -1.277 0.994) 3.442 9.279 ( 2.104 -33.756 -10.087) 35.293 9.456 ( 1.639 -0.815 7.034) 7.268 9.797 ( 2.646 -9.907 24.886) 26.916 10.352 ( -3.617 0.747 1.254) 3.901 11.064 ( 0.928 -1.679 17.340) 17.446 11.721 ( -1.390 -10.967 10.848) 15.489 12.143 ( -6.860 4.270 8.724) 11.891 12.233 ( -0.929 4.166 0.342) 4.282 12.551 ( -5.607 3.295 20.066) 21.093 12.908 ( -2.428 1.783 3.008) 4.257 13.025 ( 2.058 -2.749 -1.353) 3.691 13.827 ( -1.393 3.960 -2.148) 4.715 14.227 ( -1.718 -2.223 -10.527) 10.896 14.669 ( -10.354 6.337 -1.959) 12.296 15.471 ( -11.320 2.922 3.748) 12.277 16.246 ( 3.344 13.467 -8.333) 16.186 16.513 ( -1.911 0.971 -6.163) 6.525 16.723 ( 7.263 0.608 0.001) 7.289 19.269 ( 0.142 -1.978 -19.669) 19.769 25.614 ( -2.919 -11.916 5.683) 13.520 26.822 ( -3.983 0.829 -13.689) 14.281 28.479 ( -0.488 0.859 1.783) 2.039 29.060 ( 7.573 3.017 7.430) 11.030 29.649 ( 15.349 16.042 -1.572) 22.258 30.460 ( -0.752 -6.539 -5.095) 8.323 ======================= Grid point 228 (71/155) ======================= q-point: ( 0.30 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 8.098 -3.029 5.918) 10.478 1.236 ( 9.322 -6.355 8.937) 14.393 1.808 ( -8.847 -7.881 8.594) 14.637 1.985 ( -0.401 -6.381 -6.393) 9.041 2.357 ( -1.581 4.919 0.734) 5.219 2.570 ( -2.292 3.947 1.601) 4.837 2.831 ( 2.446 2.186 -3.024) 4.461 2.901 ( 2.887 1.174 -4.733) 5.666 3.207 ( 10.129 -5.496 3.430) 12.023 3.487 ( -4.429 -1.439 -1.153) 4.797 3.739 ( -5.815 3.601 5.637) 8.864 3.908 ( -0.716 -0.465 -1.965) 2.142 4.237 ( -3.060 1.855 4.566) 5.801 4.361 ( 0.025 -0.956 13.961) 13.993 4.667 ( 4.361 4.635 6.825) 9.332 4.814 ( 1.036 2.378 16.861) 17.059 4.936 ( 2.349 5.750 3.322) 7.044 5.121 ( -5.390 -1.771 28.852) 29.405 5.414 ( 9.009 -1.248 -5.515) 10.636 7.747 ( -1.505 -3.488 8.131) 8.975 8.151 ( -0.713 -0.773 6.214) 6.302 8.258 ( -2.129 -15.023 0.026) 15.173 8.670 ( -4.437 -4.777 -0.409) 6.532 9.417 ( -0.685 -3.408 13.848) 14.277 9.903 ( 2.303 -12.226 6.030) 13.825 10.038 ( 5.842 -16.515 6.900) 18.828 10.420 ( -5.645 -16.222 1.057) 17.209 11.114 ( 0.685 -3.063 15.924) 16.230 11.817 ( -6.519 1.684 15.964) 17.326 12.138 ( 0.623 -11.869 10.820) 16.073 12.190 ( -0.869 0.059 -7.374) 7.426 12.488 ( -1.366 0.034 13.883) 13.950 12.850 ( -3.861 2.912 3.985) 6.266 13.105 ( 6.572 -2.817 -0.305) 7.157 13.720 ( -0.983 7.125 -1.931) 7.447 14.226 ( -5.541 -0.026 -7.436) 9.273 14.520 ( -5.056 3.503 -4.014) 7.345 15.333 ( -6.037 6.363 1.986) 8.993 15.960 ( 0.856 17.389 2.538) 17.594 16.525 ( -0.854 -2.416 -11.181) 11.471 16.731 ( 4.962 2.663 -2.663) 6.229 19.299 ( 0.102 -1.018 -18.870) 18.898 25.785 ( -6.495 -9.065 3.984) 11.842 26.803 ( -1.290 -0.898 -14.081) 14.168 28.458 ( -0.084 1.105 1.635) 1.975 29.026 ( 4.590 4.668 14.143) 15.585 29.440 ( 13.831 16.703 -2.678) 21.851 30.540 ( -1.748 -3.151 -7.635) 8.443 ======================= Grid point 229 (72/155) ======================= q-point: ( 0.40 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 5.741 -4.846 4.905) 8.972 1.397 ( 4.704 -5.964 5.769) 9.538 1.865 ( -8.709 -4.495 7.381) 12.270 2.096 ( 0.743 -4.797 -8.212) 9.539 2.278 ( -0.736 1.965 -3.666) 4.224 2.490 ( -4.511 0.970 0.488) 4.640 2.812 ( 2.416 2.009 -7.703) 8.319 2.874 ( 0.781 3.265 -6.873) 7.649 3.289 ( -1.222 2.675 1.009) 3.109 3.451 ( 2.856 0.581 0.899) 3.050 3.688 ( -1.744 0.663 -0.695) 1.991 3.916 ( -0.288 0.404 -2.156) 2.213 4.221 ( -1.784 -2.289 5.824) 6.507 4.391 ( 7.570 0.978 12.936) 15.020 4.631 ( 2.316 1.809 12.927) 13.257 4.768 ( 1.671 4.240 11.138) 12.034 4.843 ( 0.820 4.303 20.048) 20.521 5.135 ( -2.472 -1.852 26.639) 26.817 5.474 ( 5.846 0.141 -6.279) 8.580 7.722 ( -3.774 1.806 8.169) 9.178 8.104 ( -2.939 0.773 8.847) 9.354 8.435 ( -2.327 0.079 1.907) 3.010 8.945 ( -2.175 -26.882 -1.458) 27.009 9.524 ( -0.841 -8.437 14.552) 16.842 9.994 ( 0.611 -1.726 14.051) 14.170 10.235 ( 4.643 -2.289 14.825) 15.703 10.811 ( -5.097 -22.896 -2.991) 23.646 11.179 ( 0.012 -3.829 13.325) 13.865 11.797 ( -2.660 -6.103 15.294) 16.680 12.189 ( -1.018 -0.673 -6.482) 6.596 12.322 ( 6.724 -0.954 9.310) 11.524 12.634 ( -3.190 -13.444 5.294) 14.796 12.766 ( -1.588 -1.032 0.177) 1.902 13.185 ( 8.192 1.483 1.363) 8.436 13.580 ( -2.476 4.355 -1.725) 5.298 14.181 ( -5.402 -0.174 -5.087) 7.423 14.452 ( -3.696 2.254 -6.687) 7.966 15.126 ( -0.756 14.884 -0.750) 14.922 15.689 ( -3.260 9.753 10.163) 14.458 16.566 ( -0.174 -1.891 -13.222) 13.358 16.702 ( 3.627 3.337 -3.848) 6.253 19.309 ( 0.187 -0.048 -17.736) 17.738 25.856 ( -6.111 -3.875 5.990) 9.394 26.833 ( 0.144 -2.344 -15.029) 15.212 28.442 ( 0.478 0.761 1.293) 1.574 28.966 ( 3.336 4.444 16.005) 16.943 29.231 ( 7.640 13.690 -1.206) 15.724 30.564 ( -1.427 -0.886 -8.088) 8.260 ======================= Grid point 230 (73/155) ======================= q-point: ( 0.50 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 0.489 -4.685 6.368) 7.921 1.509 ( 3.357 -3.895 3.211) 6.062 1.868 ( -4.028 -2.020 6.581) 7.976 2.088 ( 0.555 5.688 0.117) 5.716 2.357 ( 2.538 -9.196 -12.524) 15.744 2.488 ( -5.420 -3.446 -1.818) 6.674 2.751 ( -2.906 5.472 -11.930) 13.443 2.831 ( 3.262 1.503 -7.779) 8.568 3.181 ( -3.715 3.710 2.000) 5.619 3.483 ( 5.268 1.546 -4.661) 7.202 3.667 ( -3.304 -1.255 -0.360) 3.552 3.870 ( 1.388 5.130 -3.553) 6.393 4.267 ( 0.385 -1.693 5.303) 5.580 4.423 ( 4.947 -0.305 10.535) 11.642 4.617 ( -0.488 1.787 17.153) 17.252 4.685 ( -0.602 2.967 11.867) 12.247 4.797 ( 1.522 2.588 28.328) 28.486 5.145 ( 1.751 0.372 23.632) 23.699 5.494 ( 1.859 0.302 -3.631) 4.091 7.679 ( -2.135 0.186 9.218) 9.464 8.094 ( -3.250 -1.531 10.294) 10.903 8.378 ( -0.992 2.571 1.753) 3.267 9.371 ( -1.064 -17.360 -2.192) 17.530 9.699 ( -1.531 -11.113 11.836) 16.308 10.034 ( 2.533 -2.193 21.930) 22.184 10.211 ( 1.375 6.916 15.262) 16.812 11.097 ( -3.496 -12.013 0.512) 12.522 11.254 ( 0.964 -3.606 9.680) 10.375 11.989 ( -1.667 -13.837 15.977) 21.202 12.167 ( 2.064 2.586 2.542) 4.172 12.371 ( -0.799 -1.210 1.736) 2.262 12.590 ( 1.827 4.366 -6.220) 7.815 12.940 ( 4.734 6.892 -2.005) 8.598 13.195 ( -3.730 -10.733 6.322) 13.003 13.647 ( 3.803 -11.807 -2.023) 12.568 14.170 ( -2.632 0.966 -4.469) 5.276 14.353 ( -4.878 4.391 -5.092) 8.306 14.799 ( 0.948 18.469 -2.554) 18.669 15.579 ( -2.407 0.998 12.582) 12.848 16.583 ( -1.027 -0.476 -11.765) 11.819 16.667 ( 2.803 2.612 -6.907) 7.899 19.307 ( 0.136 0.252 -16.871) 16.873 25.874 ( -3.222 -2.059 7.767) 8.657 26.874 ( 0.331 -1.667 -15.498) 15.591 28.435 ( 0.524 0.463 0.898) 1.138 28.911 ( 3.219 4.038 11.070) 12.215 29.061 ( 1.113 7.396 6.278) 9.765 30.564 ( -0.634 -0.150 -8.401) 8.426 ======================= Grid point 231 (74/155) ======================= q-point: (-0.40 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -9.471 4.755 9.466) 14.210 1.614 ( 7.160 -1.042 -0.168) 7.237 1.917 ( 0.753 -3.469 2.324) 4.243 2.004 ( 0.085 0.289 4.915) 4.924 2.432 ( -3.966 5.018 -10.270) 12.099 2.571 ( 3.175 -6.103 -7.829) 10.422 2.681 ( -2.820 -3.295 -11.921) 12.686 2.834 ( 4.899 1.244 -7.796) 9.291 3.145 ( -3.216 -1.783 1.726) 4.063 3.449 ( 3.462 4.194 -4.292) 6.928 3.718 ( -2.433 -5.035 -1.114) 5.702 3.765 ( -1.086 4.366 -5.310) 6.960 4.263 ( -0.088 1.893 6.361) 6.637 4.411 ( -3.157 4.273 8.910) 10.373 4.600 ( 2.888 -2.127 10.077) 10.696 4.688 ( -1.689 -2.602 29.855) 30.016 4.751 ( 0.016 2.978 19.976) 20.197 5.157 ( 5.148 0.648 23.168) 23.742 5.478 ( -1.779 1.795 -2.108) 3.291 7.693 ( 0.716 -2.178 9.057) 9.343 8.100 ( -3.107 -1.058 10.634) 11.129 8.369 ( 1.837 -1.521 1.998) 3.111 9.545 ( 1.755 -2.503 0.125) 3.060 9.863 ( -1.302 -5.738 8.427) 10.278 9.993 ( -2.609 12.690 18.249) 22.380 10.131 ( 2.190 -3.504 22.563) 22.938 11.223 ( -1.537 -3.727 2.821) 4.921 11.295 ( 2.826 1.150 6.453) 7.138 12.079 ( -3.545 0.892 9.731) 10.395 12.208 ( 0.093 3.249 7.925) 8.565 12.369 ( 2.096 -7.997 13.930) 16.198 12.570 ( -0.560 6.971 -19.934) 21.125 12.769 ( 1.199 1.834 0.340) 2.218 13.349 ( 0.046 -4.696 5.223) 7.024 13.852 ( -1.816 17.264 -2.894) 17.598 14.055 ( 0.641 -14.624 -5.675) 15.699 14.378 ( 2.387 -4.950 3.111) 6.315 14.573 ( -2.163 3.192 -7.657) 8.573 15.591 ( 0.894 -2.304 12.123) 12.373 16.575 ( -2.286 0.015 -11.224) 11.454 16.645 ( 1.866 1.518 -7.865) 8.225 19.304 ( -0.003 0.106 -16.551) 16.551 25.904 ( 0.092 -2.550 7.831) 8.236 26.890 ( 0.138 0.237 -15.575) 15.578 28.428 ( -0.045 0.480 0.883) 1.006 28.862 ( 1.378 2.635 1.381) 3.279 28.990 ( -1.555 0.433 17.781) 17.854 30.567 ( 0.005 -0.431 -8.756) 8.767 ======================= Grid point 232 (75/155) ======================= q-point: (-0.30 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -7.140 3.819 9.575) 12.539 1.545 ( 1.563 10.295 -0.298) 10.417 2.017 ( 5.317 -4.858 2.741) 7.706 2.077 ( -0.108 -4.752 1.705) 5.050 2.286 ( -2.498 5.432 -10.771) 12.319 2.634 ( 3.079 -0.365 -1.715) 3.543 2.741 ( -0.277 -0.092 -11.384) 11.387 2.873 ( 5.749 -1.780 -8.277) 10.234 3.149 ( -9.505 -1.093 -0.393) 9.575 3.429 ( 4.660 -0.664 -1.591) 4.969 3.662 ( -3.365 1.407 -3.017) 4.733 3.886 ( 3.201 -9.598 -2.788) 10.495 4.184 ( -7.609 3.862 9.232) 12.572 4.322 ( 0.045 2.366 7.565) 7.927 4.646 ( 0.829 1.298 14.700) 14.781 4.706 ( 0.572 -0.498 34.183) 34.192 4.755 ( -0.858 -4.673 6.028) 7.675 5.184 ( 4.771 0.210 23.685) 24.162 5.404 ( -4.904 3.556 -3.042) 6.779 7.762 ( 2.965 -3.674 7.628) 8.971 8.096 ( -1.748 -0.544 8.992) 9.176 8.440 ( 2.211 -3.959 3.179) 5.538 9.470 ( 5.874 18.430 4.779) 19.925 9.645 ( -5.253 11.346 5.228) 13.553 9.991 ( -0.666 -4.570 21.730) 22.215 10.177 ( -0.768 0.304 19.071) 19.089 11.212 ( 2.837 6.992 2.389) 7.915 11.240 ( 0.852 4.938 6.614) 8.297 11.991 ( -1.002 6.240 9.024) 11.017 12.121 ( -1.772 2.632 11.839) 12.256 12.331 ( -1.351 9.395 -12.851) 15.976 12.627 ( 2.570 -11.772 10.919) 16.260 12.834 ( -2.822 -3.482 -4.629) 6.444 13.285 ( 3.013 21.553 2.717) 21.931 13.518 ( -4.576 -0.415 0.344) 4.607 14.293 ( 4.763 -4.038 -6.501) 9.015 14.422 ( 0.177 -1.305 -9.545) 9.635 14.763 ( -1.261 -20.908 2.984) 21.157 15.663 ( 2.831 -4.217 11.436) 12.513 16.561 ( -2.462 -0.379 -13.143) 13.377 16.635 ( 0.723 0.605 -5.122) 5.208 19.304 ( -0.072 -0.134 -16.877) 16.878 25.963 ( 2.529 -2.597 5.756) 6.803 26.868 ( -0.083 1.955 -15.347) 15.472 28.422 ( -0.331 -0.161 1.307) 1.357 28.843 ( -1.511 -0.568 -2.165) 2.701 29.008 ( -1.854 -3.421 22.625) 22.957 30.580 ( 0.383 -0.750 -9.147) 9.185 ======================= Grid point 233 (76/155) ======================= q-point: (-0.20 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -2.564 2.645 6.157) 7.175 1.323 ( -0.992 13.322 4.322) 14.041 2.029 ( 1.089 5.427 -8.431) 10.085 2.146 ( 3.271 -0.198 4.906) 5.900 2.285 ( -0.375 -5.021 -2.771) 5.747 2.638 ( 5.421 4.022 1.211) 6.858 2.714 ( -3.540 -1.398 -1.777) 4.200 2.926 ( 5.039 0.420 -7.311) 8.889 3.052 ( -10.794 2.660 -1.885) 11.275 3.513 ( 2.321 -3.640 -1.223) 4.487 3.682 ( -1.244 -5.306 -4.531) 7.088 3.971 ( 1.874 4.794 10.952) 12.101 4.204 ( -1.359 -11.953 1.689) 12.148 4.300 ( -1.172 0.014 8.019) 8.104 4.604 ( 0.816 2.002 11.697) 11.895 4.749 ( 0.012 -3.212 32.376) 32.535 4.828 ( -0.484 -3.021 -2.437) 3.912 5.208 ( 2.832 -0.287 26.972) 27.122 5.304 ( -4.899 3.419 -4.356) 7.394 7.839 ( 2.697 -1.500 5.626) 6.417 8.099 ( -1.201 -0.657 6.761) 6.899 8.498 ( 1.077 0.925 4.538) 4.755 9.013 ( 1.497 26.356 3.539) 26.634 9.503 ( -0.927 5.728 9.840) 11.424 10.031 ( 2.473 1.675 14.445) 14.751 10.106 ( -3.672 5.462 17.196) 18.413 10.938 ( 2.392 23.874 -4.755) 24.460 11.168 ( -0.465 3.848 11.102) 11.759 11.942 ( 8.417 0.673 12.225) 14.858 12.070 ( -9.632 -2.199 9.559) 13.747 12.233 ( 0.235 2.363 -7.420) 7.791 12.707 ( 1.058 17.032 2.760) 17.286 12.833 ( 3.060 -7.689 8.293) 11.716 12.985 ( -5.023 3.747 1.689) 6.490 13.611 ( 0.274 -7.046 -1.768) 7.270 14.359 ( 5.739 -0.202 -7.473) 9.424 14.451 ( -3.096 -3.659 -10.800) 11.816 15.145 ( 0.354 -19.569 2.508) 19.732 15.781 ( 1.936 -7.019 10.649) 12.901 16.561 ( -0.482 -0.698 -12.220) 12.249 16.627 ( -0.975 0.376 -3.672) 3.818 19.306 ( -0.032 -0.005 -17.760) 17.760 26.003 ( 2.721 1.368 1.608) 3.444 26.831 ( -0.003 1.496 -14.516) 14.592 28.433 ( -0.116 -1.212 1.682) 2.076 28.856 ( -2.676 -2.250 -3.960) 5.282 29.089 ( -1.790 -6.887 25.703) 26.670 30.591 ( 0.401 0.148 -9.379) 9.389 ======================= Grid point 234 (77/155) ======================= q-point: (-0.10 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 0.000 6.699 4.860) 8.277 1.086 ( 0.000 10.394 12.196) 16.024 1.935 ( 0.000 4.510 -7.981) 9.167 2.034 ( 0.000 13.390 12.665) 18.430 2.384 ( -0.000 -5.029 -0.491) 5.053 2.598 ( 0.000 0.516 6.100) 6.122 2.768 ( -0.000 -3.704 -2.503) 4.471 2.927 ( 0.000 1.682 -3.966) 4.308 2.968 ( 0.000 0.740 1.162) 1.378 3.545 ( 0.000 1.319 -3.549) 3.786 3.811 ( -0.000 -8.570 -0.523) 8.585 3.910 ( 0.000 1.506 9.670) 9.787 4.297 ( -0.000 -2.158 8.163) 8.444 4.393 ( -0.000 -4.514 15.044) 15.707 4.639 ( -0.000 -6.253 -2.959) 6.918 4.812 ( -0.000 -3.232 27.731) 27.919 4.855 ( -0.000 -0.774 -6.166) 6.214 5.210 ( 0.000 5.104 -5.509) 7.510 5.264 ( -0.000 -5.412 29.144) 29.643 7.790 ( 0.000 9.693 6.690) 11.777 8.100 ( 0.000 0.056 4.565) 4.565 8.330 ( 0.000 14.166 2.960) 14.472 8.736 ( 0.000 5.439 -0.248) 5.444 9.418 ( 0.000 2.445 12.181) 12.424 9.877 ( 0.000 22.041 -5.867) 22.808 9.947 ( 0.000 9.049 19.172) 21.201 10.506 ( 0.000 17.235 -1.582) 17.307 11.100 ( 0.000 3.227 14.700) 15.050 11.942 ( 0.000 7.480 12.243) 14.347 12.131 ( -0.000 -7.308 10.141) 12.500 12.198 ( 0.000 0.942 -7.945) 8.001 12.498 ( 0.000 0.908 13.809) 13.838 12.935 ( 0.000 1.200 1.829) 2.188 12.962 ( -0.000 -4.398 5.812) 7.289 13.739 ( -0.000 -6.672 -4.350) 7.965 14.334 ( 0.000 4.125 -7.504) 8.563 14.578 ( -0.000 -10.422 -11.764) 15.717 15.458 ( -0.000 -14.138 0.366) 14.143 15.949 ( -0.000 -11.016 9.621) 14.626 16.575 ( -0.000 -0.426 -10.013) 10.022 16.606 ( 0.000 1.014 -1.403) 1.731 19.298 ( 0.000 0.954 -18.973) 18.997 25.906 ( 0.000 10.746 -1.519) 10.853 26.833 ( -0.000 -1.716 -13.729) 13.836 28.460 ( -0.000 -1.554 1.828) 2.399 28.890 ( -0.000 -2.597 -5.166) 5.782 29.247 ( -0.000 -11.443 26.674) 29.024 30.565 ( 0.000 3.221 -8.683) 9.262 ======================= Grid point 237 (78/155) ======================= q-point: ( 0.20 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 18.175 -0.000 4.673) 18.766 1.152 ( 6.498 -0.000 16.277) 17.526 1.550 ( 0.481 -0.000 19.255) 19.261 1.878 ( 1.179 -0.000 -5.545) 5.669 2.576 ( -0.833 0.000 7.812) 7.856 2.594 ( 5.037 -0.000 7.277) 8.850 2.851 ( -0.986 0.000 -2.462) 2.652 2.894 ( 10.133 -0.000 0.636) 10.152 3.118 ( -3.280 0.000 1.772) 3.728 3.295 ( -4.960 0.000 -7.886) 9.315 3.836 ( -4.551 0.000 2.996) 5.449 4.105 ( -3.519 0.000 -0.224) 3.526 4.130 ( -11.852 0.000 13.751) 18.154 4.381 ( -8.905 0.000 5.566) 10.501 4.794 ( 0.380 -0.000 17.083) 17.087 4.832 ( 2.299 -0.000 -1.901) 2.983 5.038 ( -1.901 0.000 23.919) 23.995 5.116 ( 11.375 -0.000 -2.015) 11.552 5.401 ( -2.557 0.000 0.844) 2.693 7.426 ( 0.577 -0.000 4.890) 4.924 8.011 ( -0.708 0.000 -7.178) 7.213 8.414 ( 13.721 -0.000 2.534) 13.953 8.705 ( 2.391 -0.000 10.834) 11.094 8.765 ( -4.474 0.000 -10.399) 11.321 9.523 ( 0.401 -0.000 -10.552) 10.560 9.681 ( 2.725 -0.000 46.311) 46.391 10.348 ( -3.854 0.000 -2.603) 4.650 11.056 ( 1.102 -0.000 17.930) 17.964 11.597 ( -1.791 0.000 12.013) 12.146 12.148 ( -5.045 0.000 6.756) 8.432 12.282 ( -1.386 0.000 2.239) 2.633 12.510 ( -11.870 0.000 26.877) 29.381 12.898 ( -9.816 0.000 5.732) 11.367 12.999 ( 5.192 -0.000 -5.091) 7.272 13.856 ( -0.080 0.000 0.660) 0.664 14.207 ( 0.612 -0.000 -12.785) 12.800 14.638 ( -14.794 0.000 6.614) 16.206 15.426 ( -8.647 0.000 1.001) 8.704 16.363 ( 0.837 -0.000 -16.141) 16.162 16.553 ( -1.109 0.000 -7.923) 8.000 16.777 ( 7.243 -0.000 1.180) 7.339 19.249 ( 0.514 -0.000 -19.640) 19.647 25.486 ( 0.095 -0.000 9.662) 9.663 26.799 ( -4.457 0.000 -13.552) 14.266 28.483 ( -0.748 0.000 1.744) 1.897 29.135 ( 5.812 -0.000 14.582) 15.697 29.948 ( 17.731 -0.000 -21.924) 28.196 30.370 ( -0.129 0.000 0.005) 0.129 ======================= Grid point 238 (79/155) ======================= q-point: ( 0.30 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 10.384 2.574 10.450) 14.955 1.224 ( 13.210 -3.483 7.986) 15.824 1.630 ( -2.226 -6.084 12.842) 14.383 1.906 ( 0.827 -2.502 -6.673) 7.175 2.458 ( 0.143 7.249 5.602) 9.163 2.631 ( 0.287 2.778 3.255) 4.289 2.845 ( -1.481 -0.344 -3.120) 3.471 2.972 ( 7.596 1.788 -2.375) 8.156 3.139 ( 5.213 -7.142 6.110) 10.748 3.357 ( -6.353 -7.578 -5.270) 11.205 3.757 ( -9.050 4.116 4.446) 10.891 3.938 ( -2.422 4.639 1.251) 5.381 4.213 ( -4.522 -4.729 7.268) 9.779 4.307 ( -6.608 -0.580 5.738) 8.771 4.767 ( 2.626 2.876 15.211) 15.702 4.848 ( 1.262 0.457 4.745) 4.932 5.022 ( -0.641 0.562 23.807) 23.822 5.116 ( 1.484 5.666 6.381) 8.662 5.438 ( 7.438 -2.903 -6.158) 10.083 7.576 ( 1.502 -13.662 7.267) 15.547 7.991 ( -2.548 -0.969 -4.832) 5.548 8.320 ( 3.095 10.398 5.568) 12.194 8.598 ( -3.943 -0.920 0.515) 4.082 9.319 ( 3.670 -27.658 -3.650) 28.138 9.473 ( 0.831 -7.136 7.158) 10.141 9.842 ( 4.040 -10.616 25.065) 27.518 10.297 ( -4.516 1.362 -0.363) 4.731 11.077 ( 0.945 -1.533 17.750) 17.841 11.694 ( -2.703 -10.011 12.684) 16.383 12.050 ( -6.514 4.653 14.453) 16.521 12.222 ( -0.782 3.364 -3.185) 4.699 12.464 ( -7.071 -1.938 23.771) 24.876 12.839 ( -7.323 -0.343 4.790) 8.757 13.070 ( 4.135 -3.626 -3.567) 6.555 13.828 ( 2.009 4.067 0.587) 4.574 14.207 ( -1.175 0.492 -9.992) 10.073 14.520 ( -11.465 2.148 5.348) 12.832 15.358 ( -5.872 2.236 -0.575) 6.309 16.285 ( 2.706 12.634 -11.202) 17.101 16.491 ( -1.703 1.004 -8.216) 8.450 16.805 ( 5.009 1.572 -1.874) 5.574 19.272 ( 0.314 -1.747 -19.565) 19.645 25.577 ( -2.381 -8.672 7.577) 11.759 26.777 ( -2.678 -0.515 -13.762) 14.029 28.472 ( -0.576 0.603 1.652) 1.850 29.131 ( 3.450 3.606 20.473) 21.072 29.872 ( 16.815 16.914 -21.314) 31.986 30.447 ( -1.237 -5.524 -4.978) 7.538 ======================= Grid point 239 (80/155) ======================= q-point: ( 0.40 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 5.567 -0.769 8.146) 9.897 1.371 ( 10.862 -2.787 5.663) 12.562 1.704 ( -6.175 -5.871 9.873) 13.041 1.985 ( 0.291 -5.782 -9.588) 11.200 2.341 ( -0.586 5.087 1.487) 5.332 2.535 ( -2.817 5.350 0.127) 6.047 2.849 ( 0.512 0.238 -5.140) 5.171 2.959 ( 4.975 4.015 -3.737) 7.405 3.281 ( -1.121 -2.777 0.574) 3.049 3.439 ( -1.168 -3.448 5.517) 6.610 3.662 ( -4.644 -1.007 -0.089) 4.753 3.897 ( -0.998 -0.652 -2.137) 2.448 4.199 ( -1.968 0.504 4.371) 4.820 4.387 ( 2.929 -5.986 14.813) 16.243 4.724 ( 3.980 4.527 9.582) 11.320 4.837 ( 2.151 1.620 12.118) 12.414 4.959 ( 1.317 7.040 10.366) 12.599 5.060 ( -3.580 -2.162 26.681) 27.007 5.524 ( 7.229 -0.049 -7.455) 10.385 7.739 ( 0.576 0.031 8.027) 8.048 8.076 ( -8.744 -4.199 8.573) 12.945 8.283 ( 4.447 -12.075 -1.874) 13.003 8.604 ( -5.363 -4.617 -0.712) 7.113 9.401 ( -1.614 -3.176 15.887) 16.281 9.941 ( 3.287 -9.625 5.145) 11.398 10.115 ( 5.523 -17.383 7.621) 19.768 10.343 ( -5.486 -16.116 2.973) 17.281 11.119 ( 0.052 -2.593 16.868) 17.066 11.743 ( -4.414 1.019 18.130) 18.688 12.147 ( 0.559 -16.416 8.824) 18.646 12.177 ( -0.888 -0.508 -4.723) 4.833 12.466 ( -1.753 -1.327 14.893) 15.055 12.793 ( -4.624 1.601 1.754) 5.198 13.185 ( 5.285 -5.539 -1.662) 7.834 13.713 ( 0.036 9.600 -0.360) 9.607 14.166 ( -3.366 1.768 -4.026) 5.537 14.439 ( -6.852 0.252 -2.211) 7.204 15.269 ( -3.585 4.296 -0.369) 5.607 15.973 ( 1.157 20.053 0.024) 20.087 16.518 ( -0.419 -3.068 -12.938) 13.303 16.788 ( 3.527 3.175 -2.586) 5.405 19.301 ( 0.209 -1.013 -18.792) 18.821 25.710 ( -4.740 -7.570 6.616) 11.115 26.790 ( -0.714 -2.073 -14.565) 14.729 28.457 ( -0.007 0.681 1.397) 1.554 29.068 ( 2.127 4.756 23.468) 24.040 29.622 ( 12.609 20.397 -17.461) 29.663 30.515 ( -2.036 -3.250 -6.336) 7.406 ======================= Grid point 240 (81/155) ======================= q-point: ( 0.50 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 1.322 -3.783 5.953) 7.176 1.472 ( 6.119 -2.814 5.787) 8.880 1.773 ( -4.885 -5.139 9.372) 11.752 2.111 ( 1.389 -5.975 -10.059) 11.781 2.271 ( -0.301 1.417 -3.700) 3.974 2.439 ( -3.141 2.128 -0.042) 3.794 2.819 ( -0.807 3.228 -9.057) 9.648 2.901 ( 2.481 4.239 -6.137) 7.860 3.229 ( -5.553 3.472 1.724) 6.772 3.486 ( 0.890 -2.321 1.831) 3.087 3.664 ( -1.439 0.859 -5.213) 5.476 3.928 ( 1.890 -0.659 0.284) 2.022 4.213 ( 0.583 -2.573 7.011) 7.491 4.490 ( 6.728 -0.691 15.667) 17.065 4.651 ( 0.695 4.450 12.054) 12.868 4.794 ( 1.986 6.322 4.752) 8.154 4.857 ( 1.141 3.331 25.342) 25.585 5.105 ( -2.003 -4.187 26.372) 26.777 5.537 ( 3.599 1.945 -6.439) 7.629 7.690 ( -1.098 2.789 7.305) 7.896 8.042 ( -5.886 -0.905 13.262) 14.538 8.417 ( -0.484 1.731 -0.479) 1.860 8.926 ( -0.733 -28.505 -4.769) 28.910 9.501 ( -2.299 -8.711 17.411) 19.604 10.012 ( 1.692 -1.259 11.447) 11.640 10.284 ( 2.680 -1.349 16.184) 16.460 10.759 ( -2.734 -22.883 -2.426) 23.173 11.177 ( -0.348 -4.180 14.407) 15.005 11.773 ( -1.080 -7.431 17.143) 18.716 12.176 ( -0.849 -1.515 -7.220) 7.425 12.390 ( 3.164 0.719 11.309) 11.765 12.610 ( 0.043 -14.922 4.691) 15.642 12.743 ( -2.183 -4.393 -2.272) 5.406 13.289 ( 7.458 4.284 -0.080) 8.601 13.535 ( -4.259 2.255 -1.912) 5.184 14.133 ( -1.798 -0.845 -0.814) 2.147 14.387 ( -5.570 1.956 -6.220) 8.576 15.119 ( -0.303 12.516 -3.006) 12.875 15.657 ( -1.627 11.825 9.951) 15.540 16.563 ( -0.130 -1.668 -14.763) 14.858 16.744 ( 2.560 3.606 -3.315) 5.527 19.311 ( 0.190 -0.036 -17.709) 17.710 25.788 ( -4.036 -4.563 7.638) 9.770 26.835 ( 0.163 -2.703 -15.309) 15.547 28.448 ( 0.447 0.523 0.977) 1.195 29.000 ( 1.858 3.933 23.534) 23.933 29.322 ( 5.768 18.214 -11.776) 22.443 30.546 ( -1.210 -1.452 -7.172) 7.417 ======================= Grid point 241 (82/155) ======================= q-point: ( 0.60 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -4.391 0.343 7.202) 8.442 1.583 ( 5.726 -5.462 3.778) 8.770 1.829 ( -1.925 -4.374 7.410) 8.817 2.095 ( 0.445 6.393 -0.470) 6.426 2.386 ( 1.824 -9.491 -11.831) 15.277 2.431 ( -3.067 -4.357 -4.002) 6.664 2.711 ( -2.671 6.459 -10.651) 12.740 2.871 ( 2.377 0.743 -8.850) 9.194 3.144 ( -1.618 2.632 2.818) 4.182 3.531 ( 2.030 -0.781 -4.476) 4.976 3.617 ( -3.494 0.749 -2.533) 4.380 3.890 ( 1.335 6.194 -1.521) 6.517 4.275 ( 0.665 -2.228 5.195) 5.691 4.474 ( 2.788 4.902 10.120) 11.585 4.613 ( -0.149 0.233 22.660) 22.661 4.680 ( -0.189 4.626 7.087) 8.465 4.812 ( 0.740 3.139 30.411) 30.581 5.171 ( 1.804 -2.850 23.885) 24.122 5.513 ( 1.035 2.422 -5.398) 6.007 7.662 ( -0.591 -0.626 8.133) 8.179 8.043 ( -3.736 -2.296 13.377) 14.077 8.374 ( 0.116 1.304 0.358) 1.358 9.371 ( 0.771 -17.667 -7.380) 19.162 9.667 ( -2.622 -10.748 17.905) 21.047 10.065 ( 1.982 -3.590 20.170) 20.582 10.225 ( 0.654 8.912 14.176) 16.758 11.064 ( -1.520 -12.573 0.413) 12.671 11.266 ( 0.695 -4.735 10.597) 11.627 11.964 ( -1.743 -11.879 16.947) 20.769 12.198 ( 2.335 -0.330 -0.560) 2.424 12.343 ( -2.683 2.661 8.434) 9.241 12.627 ( 2.822 2.263 -13.700) 14.169 13.003 ( 4.719 9.184 0.046) 10.325 13.142 ( -4.169 -10.479 6.871) 13.206 13.682 ( 1.586 -15.300 -2.423) 15.571 14.161 ( 1.328 3.208 -4.332) 5.552 14.282 ( -5.614 1.323 -2.737) 6.384 14.807 ( 0.336 18.783 -3.981) 19.203 15.557 ( -0.984 -0.375 13.241) 13.283 16.572 ( -0.648 0.362 -15.193) 15.211 16.697 ( 1.577 2.867 -4.359) 5.450 19.308 ( 0.089 0.327 -16.861) 16.865 25.840 ( -1.790 -3.635 8.437) 9.359 26.878 ( 0.248 -1.629 -15.620) 15.707 28.441 ( 0.326 0.668 0.686) 1.011 28.951 ( 2.670 3.208 19.387) 19.831 29.066 ( -0.260 10.984 -3.095) 11.414 30.557 ( -0.391 -0.574 -8.062) 8.092 ======================= Grid point 242 (83/155) ======================= q-point: (-0.30 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -4.373 5.734 10.917) 13.084 1.684 ( 2.798 1.114 -1.382) 3.313 1.928 ( 0.552 -6.748 3.596) 7.666 2.006 ( 0.117 0.587 4.247) 4.289 2.390 ( -1.864 4.854 -9.176) 10.546 2.606 ( 1.845 -2.561 -7.317) 7.969 2.649 ( -1.753 -7.915 -14.701) 16.788 2.894 ( 3.195 -1.099 -8.659) 9.295 3.102 ( -2.511 1.352 2.735) 3.951 3.494 ( 2.546 4.168 -3.036) 5.751 3.684 ( -2.081 -7.772 -3.908) 8.945 3.751 ( -0.663 6.495 -3.095) 7.226 4.257 ( -0.525 4.566 5.895) 7.475 4.383 ( -0.878 4.817 9.448) 10.641 4.633 ( 1.882 -2.029 19.760) 19.953 4.665 ( -1.602 -2.916 12.006) 12.459 4.752 ( 0.071 3.537 30.781) 30.983 5.223 ( 3.550 -0.586 24.678) 24.939 5.451 ( -1.687 4.157 -6.107) 7.578 7.703 ( 0.487 -3.589 7.939) 8.726 8.064 ( -1.707 -1.763 12.193) 12.437 8.389 ( 0.868 -2.383 1.647) 3.024 9.569 ( 1.385 -4.194 -4.403) 6.237 9.840 ( -1.478 -9.152 20.754) 22.731 9.970 ( -0.762 18.269 10.775) 21.224 10.153 ( 0.886 -3.382 22.009) 22.285 11.209 ( -0.511 -4.202 2.908) 5.136 11.325 ( 1.362 -0.192 6.833) 6.970 12.038 ( -1.953 2.299 9.863) 10.314 12.208 ( -0.002 3.026 5.635) 6.396 12.393 ( 1.109 -11.872 16.448) 20.315 12.563 ( -0.365 11.368 -19.815) 22.847 12.783 ( 0.717 3.583 -0.340) 3.670 13.350 ( 0.039 -8.134 5.111) 9.607 13.830 ( -1.046 25.316 -3.379) 25.562 14.062 ( 0.315 -20.559 -4.595) 21.069 14.413 ( 2.158 -11.460 2.442) 11.915 14.541 ( -2.026 8.476 -7.140) 11.267 15.602 ( 0.556 -3.784 12.372) 12.950 16.552 ( -0.972 0.826 -15.549) 15.602 16.663 ( 0.706 1.727 -4.223) 4.617 19.304 ( -0.002 0.170 -16.549) 16.550 25.905 ( 0.057 -4.127 7.791) 8.816 26.891 ( 0.086 0.373 -15.628) 15.633 28.428 ( -0.028 0.780 0.882) 1.178 28.883 ( 1.320 5.168 -4.121) 6.741 28.967 ( -1.430 -0.197 23.383) 23.428 30.567 ( 0.003 -0.695 -8.762) 8.790 ======================= Grid point 243 (84/155) ======================= q-point: (-0.20 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 0.000 2.942 10.180) 10.597 1.555 ( 0.000 11.448 -0.516) 11.459 2.055 ( -0.000 -4.820 -0.750) 4.878 2.079 ( -0.000 -6.140 4.934) 7.877 2.266 ( 0.000 5.239 -10.861) 12.058 2.649 ( -0.000 -2.627 -2.614) 3.705 2.744 ( 0.000 0.412 -11.998) 12.005 2.944 ( -0.000 -1.922 -7.591) 7.830 3.048 ( 0.000 2.510 -0.312) 2.530 3.473 ( -0.000 -0.976 0.016) 0.976 3.629 ( 0.000 1.620 -4.585) 4.863 3.919 ( -0.000 -14.641 -4.361) 15.276 4.119 ( 0.000 8.599 11.967) 14.736 4.324 ( 0.000 1.936 7.137) 7.395 4.650 ( 0.000 1.522 15.587) 15.661 4.711 ( -0.000 -0.268 42.016) 42.017 4.750 ( -0.000 -5.375 -1.866) 5.690 5.231 ( 0.000 1.003 27.419) 27.438 5.358 ( 0.000 4.529 -7.889) 9.097 7.784 ( -0.000 -4.550 6.612) 8.026 8.082 ( -0.000 -0.880 9.934) 9.973 8.456 ( -0.000 -4.002 2.981) 4.991 9.536 ( 0.000 27.265 7.823) 28.365 9.582 ( 0.000 2.735 3.110) 4.141 9.987 ( -0.000 -6.084 20.209) 21.105 10.172 ( 0.000 1.893 20.308) 20.396 11.223 ( 0.000 1.860 6.573) 6.831 11.256 ( 0.000 9.576 2.243) 9.835 11.983 ( 0.000 0.968 7.860) 7.920 12.107 ( 0.000 8.206 12.915) 15.302 12.322 ( 0.000 9.148 -14.154) 16.853 12.646 ( -0.000 -13.024 14.147) 19.229 12.813 ( -0.000 -2.326 -5.942) 6.381 13.309 ( 0.000 28.078 1.173) 28.102 13.483 ( -0.000 -6.891 1.519) 7.056 14.330 ( -0.000 -7.355 -6.557) 9.854 14.419 ( 0.000 2.608 -10.908) 11.216 14.753 ( -0.000 -22.022 4.423) 22.462 15.684 ( -0.000 -4.825 11.392) 12.372 16.542 ( -0.000 -0.371 -14.410) 14.415 16.641 ( 0.000 1.019 -4.089) 4.214 19.303 ( -0.000 -0.121 -16.876) 16.876 25.981 ( -0.000 -3.595 5.326) 6.426 26.868 ( 0.000 2.037 -15.345) 15.480 28.420 ( -0.000 -0.129 1.368) 1.374 28.833 ( 0.000 0.673 -4.876) 4.922 28.995 ( -0.000 -3.174 25.991) 26.184 30.582 ( -0.000 -0.895 -9.270) 9.313 ======================= Grid point 248 (85/155) ======================= q-point: ( 0.30 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 5.814 -0.000 13.105) 14.337 1.268 ( 15.750 -0.000 6.421) 17.009 1.585 ( 4.370 -0.000 9.268) 10.246 1.892 ( 0.898 -0.000 -6.327) 6.390 2.576 ( 0.742 -0.000 5.006) 5.060 2.655 ( 4.131 -0.000 7.915) 8.928 2.836 ( -1.340 0.000 -1.832) 2.270 3.025 ( 6.252 -0.000 8.213) 10.321 3.078 ( 0.910 -0.000 -2.768) 2.914 3.214 ( -7.052 0.000 -9.798) 12.072 3.755 ( -8.036 0.000 -1.099) 8.111 3.979 ( -10.413 0.000 11.048) 15.182 4.088 ( 1.257 -0.000 1.551) 1.997 4.247 ( -10.174 0.000 1.970) 10.363 4.796 ( -0.233 0.000 27.326) 27.327 4.860 ( 1.712 -0.000 -1.934) 2.583 5.015 ( -0.916 0.000 27.974) 27.989 5.254 ( 8.988 -0.000 -2.939) 9.457 5.404 ( 1.869 -0.000 -7.807) 8.027 7.442 ( 1.646 -0.000 4.657) 4.939 8.003 ( -0.510 0.000 -7.671) 7.688 8.515 ( 2.296 -0.000 -0.477) 2.345 8.706 ( -4.224 0.000 -10.652) 11.459 8.785 ( 8.497 -0.000 19.454) 21.229 9.527 ( 0.249 -0.000 -5.603) 5.608 9.717 ( 2.467 -0.000 45.410) 45.477 10.296 ( -3.749 0.000 -5.840) 6.940 11.070 ( 0.983 -0.000 18.067) 18.094 11.568 ( -2.576 0.000 13.738) 13.978 12.082 ( -4.654 0.000 11.034) 11.975 12.265 ( -1.198 0.000 -2.464) 2.740 12.351 ( -11.084 0.000 35.303) 37.002 12.764 ( -9.465 0.000 5.180) 10.790 13.065 ( 4.458 -0.000 -4.688) 6.469 13.892 ( 5.337 -0.000 2.705) 5.983 14.215 ( 0.611 -0.000 -12.828) 12.843 14.454 ( -12.785 0.000 10.849) 16.768 15.350 ( -3.634 0.000 -4.625) 5.882 16.377 ( 1.231 -0.000 -15.239) 15.288 16.536 ( -1.517 0.000 -8.927) 9.055 16.850 ( 4.099 -0.000 -2.741) 4.931 19.256 ( 0.543 -0.000 -19.640) 19.648 25.487 ( 0.103 -0.000 9.609) 9.610 26.753 ( -2.514 0.000 -13.781) 14.008 28.473 ( -0.752 0.000 1.632) 1.796 29.186 ( 2.331 -0.000 24.309) 24.420 30.161 ( 13.594 -0.000 -35.369) 37.892 30.368 ( -0.131 0.000 -0.073) 0.150 ======================= Grid point 249 (86/155) ======================= q-point: ( 0.40 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 4.660 3.439 12.953) 14.189 1.405 ( 12.729 -2.938 4.810) 13.921 1.624 ( 0.882 -0.892 6.310) 6.433 1.915 ( 0.550 -2.210 -7.736) 8.064 2.474 ( 2.310 8.771 5.716) 10.721 2.618 ( -2.205 5.443 1.954) 6.190 2.830 ( -1.044 -1.627 -4.105) 4.537 3.058 ( 5.445 1.721 -0.502) 5.733 3.183 ( -0.864 -5.929 0.246) 5.997 3.289 ( -1.545 -10.916 2.560) 11.319 3.638 ( -7.680 3.478 -0.928) 8.482 3.894 ( -4.576 1.690 -0.500) 4.904 4.168 ( -2.880 -2.871 7.235) 8.300 4.244 ( -1.711 -7.844 4.798) 9.353 4.795 ( 1.548 0.459 25.860) 25.911 4.860 ( 0.198 0.751 2.978) 3.077 5.008 ( -0.353 0.293 28.052) 28.056 5.149 ( 2.567 9.865 -2.345) 10.460 5.534 ( 6.404 -5.137 -8.774) 12.016 7.595 ( 1.285 -14.110 7.095) 15.846 7.961 ( -1.990 2.550 -5.371) 6.270 8.344 ( 0.829 12.394 7.002) 14.259 8.548 ( -3.383 -0.226 -0.236) 3.399 9.368 ( 3.388 -16.425 4.577) 17.384 9.476 ( -0.457 -16.716 7.069) 18.155 9.898 ( 4.099 -12.234 26.241) 29.242 10.240 ( -3.842 2.216 -3.392) 5.584 11.087 ( 0.490 -1.183 18.097) 18.142 11.654 ( -3.024 -8.681 15.297) 17.847 11.984 ( -3.375 2.354 16.951) 17.443 12.212 ( -0.716 3.271 -4.934) 5.963 12.379 ( -5.343 -6.164 26.474) 27.702 12.741 ( -6.751 -2.575 3.071) 7.851 13.121 ( 3.298 -3.362 -3.691) 5.984 13.879 ( 5.229 6.010 2.327) 8.299 14.195 ( -0.698 2.420 -6.974) 7.415 14.378 ( -9.640 -0.627 4.228) 10.545 15.305 ( -2.538 2.477 -4.386) 5.640 16.320 ( 2.568 12.824 -11.067) 17.132 16.466 ( -1.970 -0.121 -10.383) 10.569 16.856 ( 2.797 1.847 -2.851) 4.400 19.277 ( 0.332 -1.565 -19.478) 19.543 25.553 ( -1.323 -6.340 8.539) 10.717 26.751 ( -1.316 -1.288 -14.223) 14.342 28.465 ( -0.445 0.310 1.497) 1.592 29.161 ( 1.368 3.758 26.741) 27.038 30.062 ( 11.445 16.604 -30.885) 36.886 30.428 ( -1.571 -4.367 -4.154) 6.229 ======================= Grid point 250 (87/155) ======================= q-point: ( 0.50 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 1.114 0.372 10.240) 10.307 1.507 ( 8.781 0.560 2.954) 9.282 1.649 ( -2.512 -4.232 9.923) 11.076 1.990 ( 0.436 -5.890 -11.079) 12.555 2.343 ( 0.714 5.883 2.202) 6.322 2.500 ( -2.252 5.363 -0.541) 5.841 2.849 ( -0.437 0.023 -5.748) 5.764 3.014 ( 3.037 5.903 -3.303) 7.415 3.213 ( -5.955 -0.746 -0.288) 6.009 3.435 ( -0.600 -4.195 8.850) 9.812 3.630 ( -0.832 -3.564 -8.058) 8.850 3.888 ( -0.191 -3.280 0.347) 3.304 4.185 ( -0.466 -1.515 7.472) 7.639 4.424 ( 2.365 -8.839 13.710) 16.483 4.767 ( 2.338 4.867 6.286) 8.287 4.860 ( 1.044 -0.553 19.909) 19.944 4.976 ( 1.451 7.219 11.703) 13.827 5.027 ( -1.685 -0.309 20.208) 20.280 5.598 ( 3.833 1.556 -7.570) 8.627 7.764 ( 3.158 2.731 6.170) 7.450 7.956 ( -8.726 -4.998 10.785) 14.746 8.350 ( 5.429 -13.443 -1.640) 14.590 8.531 ( -5.599 -3.369 -1.208) 6.646 9.380 ( -1.331 -2.468 17.478) 17.702 9.980 ( 2.300 -9.114 1.525) 9.523 10.173 ( 2.957 -14.796 14.677) 21.049 10.286 ( -2.847 -18.424 1.065) 18.673 11.116 ( -0.450 -2.090 17.628) 17.757 11.702 ( -1.805 -0.674 19.201) 19.297 12.151 ( 0.159 -8.985 -0.136) 8.988 12.169 ( -0.359 -10.404 4.756) 11.446 12.446 ( -1.161 -2.601 16.697) 16.939 12.737 ( -3.331 -0.245 -1.476) 3.652 13.239 ( 2.817 -7.517 -1.958) 8.263 13.720 ( 0.835 13.463 -0.235) 13.491 14.138 ( -0.981 2.241 2.572) 3.550 14.354 ( -5.374 -1.339 -5.399) 7.735 15.236 ( -1.457 3.591 -2.431) 4.575 15.987 ( 0.865 21.492 -0.897) 21.528 16.513 ( -0.257 -3.613 -14.267) 14.720 16.823 ( 1.807 3.256 -2.551) 4.513 19.304 ( 0.174 -0.983 -18.727) 18.754 25.663 ( -2.314 -6.445 7.917) 10.468 26.784 ( -0.280 -2.685 -14.933) 15.175 28.458 ( 0.035 0.318 1.158) 1.202 29.087 ( 0.874 4.629 27.290) 27.693 29.754 ( 6.982 22.719 -24.660) 34.249 30.491 ( -1.455 -3.558 -4.851) 6.190 ======================= Grid point 251 (88/155) ======================= q-point: ( 0.60 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -0.424 -2.176 7.606) 7.923 1.538 ( 3.009 -1.578 5.166) 6.183 1.735 ( -1.275 -5.166 9.917) 11.254 2.127 ( 0.752 -6.681 -11.272) 13.125 2.270 ( 0.118 1.355 -3.351) 3.616 2.409 ( -1.262 2.642 -0.361) 2.950 2.804 ( -0.901 4.352 -8.328) 9.439 2.924 ( 0.896 4.279 -6.565) 7.887 3.174 ( -2.266 1.402 2.022) 3.345 3.482 ( -0.643 -2.340 2.554) 3.522 3.652 ( -0.494 1.032 -9.013) 9.086 3.952 ( 1.251 -0.895 2.078) 2.585 4.226 ( 0.814 -2.779 8.949) 9.405 4.555 ( 2.692 -3.399 20.266) 20.725 4.653 ( -0.157 7.885 6.633) 10.305 4.816 ( 1.201 8.552 3.121) 9.182 4.867 ( 0.232 2.211 27.142) 27.233 5.086 ( -0.789 -5.623 25.874) 26.490 5.568 ( 1.182 2.606 -6.008) 6.654 7.688 ( 0.337 3.964 5.164) 6.519 7.974 ( -3.279 -2.652 17.036) 17.550 8.416 ( 0.078 3.062 -1.345) 3.345 8.922 ( -0.045 -30.136 -7.314) 31.011 9.475 ( -1.208 -8.321 19.261) 21.017 10.030 ( 0.811 -1.099 9.771) 9.866 10.306 ( 0.737 -1.161 17.443) 17.497 10.738 ( -0.628 -22.596 -2.302) 22.722 11.172 ( -0.230 -4.678 15.149) 15.856 11.765 ( -0.285 -7.554 18.245) 19.749 12.168 ( -0.244 -2.390 -7.958) 8.312 12.408 ( 0.189 3.084 13.280) 13.635 12.634 ( 2.623 -22.126 6.142) 23.112 12.709 ( -2.573 -1.490 -6.161) 6.840 13.380 ( 6.162 9.533 -1.227) 11.417 13.471 ( -5.234 -2.357 -1.870) 6.037 14.127 ( 0.338 -1.902 4.231) 4.651 14.324 ( -3.105 2.357 -8.192) 9.072 15.117 ( -0.042 11.316 -4.378) 12.133 15.644 ( -0.434 13.071 9.904) 16.405 16.562 ( -0.036 -1.517 -15.922) 15.994 16.767 ( 0.896 3.691 -2.864) 4.757 19.313 ( 0.081 -0.013 -17.686) 17.686 25.752 ( -1.368 -4.795 8.403) 9.771 26.837 ( 0.072 -2.894 -15.474) 15.743 28.453 ( 0.186 0.390 0.750) 0.866 29.016 ( 0.610 3.493 26.630) 26.865 29.375 ( 2.051 20.755 -16.437) 26.555 30.534 ( -0.474 -1.849 -6.558) 6.830 ======================= Grid point 252 (89/155) ======================= q-point: ( 0.70 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 0.000 2.217 8.207) 8.501 1.625 ( -0.000 -6.012 3.335) 6.875 1.816 ( -0.000 -4.945 7.845) 9.273 2.098 ( 0.000 6.672 -0.766) 6.715 2.398 ( -0.000 -1.309 -1.945) 2.344 2.412 ( -0.000 -12.975 -14.674) 19.587 2.691 ( 0.000 6.819 -9.905) 12.025 2.887 ( 0.000 0.294 -9.410) 9.415 3.135 ( 0.000 2.194 3.362) 4.015 3.543 ( -0.000 -5.163 -1.985) 5.531 3.592 ( 0.000 4.813 -6.102) 7.772 3.899 ( 0.000 6.829 -0.290) 6.835 4.280 ( -0.000 -1.952 5.033) 5.398 4.493 ( 0.000 7.678 9.229) 12.006 4.612 ( -0.000 -1.702 27.107) 27.160 4.679 ( 0.000 5.638 3.984) 6.903 4.817 ( 0.000 3.348 30.645) 30.828 5.184 ( -0.000 -4.519 24.323) 24.739 5.521 ( 0.000 3.344 -6.228) 7.069 7.659 ( -0.000 -0.759 7.284) 7.324 8.015 ( -0.000 -2.716 14.894) 15.140 8.376 ( 0.000 0.828 -0.080) 0.832 9.379 ( -0.000 -17.967 -10.655) 20.889 9.647 ( -0.000 -10.493 21.399) 23.833 10.079 ( -0.000 -4.004 19.666) 20.070 10.229 ( 0.000 9.569 13.661) 16.679 11.055 ( -0.000 -12.690 0.373) 12.696 11.271 ( -0.000 -5.249 11.026) 12.212 11.951 ( -0.000 -10.980 16.969) 20.212 12.217 ( -0.000 -1.847 -3.100) 3.609 12.320 ( 0.000 3.879 11.897) 12.514 12.648 ( 0.000 2.302 -16.154) 16.318 13.049 ( 0.000 19.657 0.169) 19.658 13.100 ( -0.000 -20.349 8.009) 21.869 13.692 ( -0.000 -16.649 -2.485) 16.833 14.189 ( 0.000 12.476 -7.913) 14.774 14.225 ( -0.000 -8.320 1.755) 8.503 14.809 ( 0.000 19.063 -4.401) 19.564 15.550 ( -0.000 -0.901 13.489) 13.519 16.567 ( 0.000 0.713 -16.674) 16.689 16.708 ( 0.000 2.948 -3.305) 4.429 19.309 ( 0.000 0.359 -16.857) 16.861 25.828 ( -0.000 -4.174 8.662) 9.615 26.880 ( -0.000 -1.627 -15.673) 15.757 28.443 ( 0.000 0.758 0.600) 0.966 28.972 ( 0.000 1.589 25.875) 25.924 29.062 ( 0.000 13.578 -9.939) 16.827 30.555 ( -0.000 -0.739 -7.932) 7.967 ======================= Grid point 260 (90/155) ======================= q-point: ( 0.40 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 3.290 -0.000 11.662) 12.117 1.446 ( 10.876 -0.000 11.339) 15.712 1.639 ( 2.775 -0.000 -1.609) 3.208 1.901 ( 0.398 -0.000 -6.963) 6.974 2.591 ( 1.218 -0.000 1.776) 2.154 2.707 ( 3.884 -0.000 7.240) 8.216 2.811 ( -2.515 0.000 -2.348) 3.441 3.004 ( -3.006 0.000 6.911) 7.536 3.123 ( -5.866 0.000 -9.042) 10.778 3.196 ( 10.301 -0.000 2.608) 10.626 3.633 ( -9.438 0.000 -4.015) 10.256 3.870 ( -5.766 0.000 3.665) 6.832 4.125 ( 3.230 -0.000 2.281) 3.954 4.136 ( -6.141 0.000 4.257) 7.472 4.790 ( -0.502 0.000 37.611) 37.614 4.874 ( 0.354 -0.000 -2.187) 2.215 5.014 ( 0.448 -0.000 22.672) 22.676 5.345 ( 4.742 -0.000 -4.502) 6.539 5.429 ( 1.628 -0.000 -9.937) 10.069 7.463 ( 1.245 -0.000 4.821) 4.979 7.998 ( -0.172 0.000 -7.920) 7.922 8.519 ( -0.495 0.000 -0.503) 0.705 8.660 ( -2.494 0.000 -10.824) 11.108 8.882 ( 5.346 -0.000 25.090) 25.653 9.529 ( 0.066 -0.000 -0.756) 0.759 9.743 ( 1.408 -0.000 44.736) 44.758 10.255 ( -2.262 0.000 -9.198) 9.472 11.080 ( 0.564 -0.000 18.124) 18.133 11.535 ( -2.018 0.000 15.628) 15.758 12.032 ( -2.742 0.000 13.377) 13.655 12.238 ( -5.608 0.000 38.363) 38.770 12.252 ( -0.699 0.000 -4.978) 5.026 12.664 ( -5.407 0.000 3.385) 6.379 13.112 ( 2.495 -0.000 -4.479) 5.127 13.984 ( 7.901 -0.000 4.734) 9.211 14.222 ( 0.377 -0.000 -12.867) 12.873 14.301 ( -10.447 0.000 9.487) 14.111 15.318 ( -1.413 0.000 -7.361) 7.495 16.393 ( 1.135 -0.000 -13.884) 13.930 16.516 ( -1.319 0.000 -10.402) 10.485 16.889 ( 1.863 -0.000 -4.067) 4.473 19.262 ( 0.349 -0.000 -19.606) 19.609 25.489 ( 0.068 -0.000 9.569) 9.569 26.731 ( -1.049 0.000 -14.196) 14.234 28.464 ( -0.467 0.000 1.539) 1.608 29.206 ( 0.807 -0.000 28.552) 28.563 30.295 ( 6.666 -0.000 -40.025) 40.576 30.367 ( -0.082 0.000 -0.137) 0.160 ======================= Grid point 261 (91/155) ======================= q-point: ( 0.50 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 1.211 4.495 12.359) 13.207 1.534 ( 5.915 -2.640 11.030) 12.791 1.634 ( 0.137 1.822 -3.049) 3.555 1.921 ( 0.237 -2.176 -8.391) 8.672 2.517 ( 3.778 10.849 6.188) 13.049 2.579 ( -3.381 5.854 1.167) 6.860 2.816 ( -0.846 -2.616 -5.393) 6.054 3.111 ( 2.413 -1.389 1.098) 2.993 3.140 ( -2.928 -2.916 -5.015) 6.498 3.299 ( 0.873 -7.887 10.541) 13.194 3.573 ( -2.203 -0.956 -7.604) 7.974 3.837 ( -2.904 -0.528 -0.423) 2.981 4.134 ( -1.645 -2.868 7.432) 8.134 4.251 ( 1.192 -9.767 5.150) 11.106 4.809 ( 0.684 -2.027 36.029) 36.092 4.854 ( -0.621 2.006 0.222) 2.111 5.011 ( 0.392 0.531 22.542) 22.552 5.173 ( 0.941 11.082 -3.825) 11.761 5.594 ( 2.384 -5.885 -9.434) 11.372 7.607 ( 0.518 -14.506 6.994) 16.112 7.941 ( -0.816 5.537 -5.352) 7.744 8.350 ( 0.179 11.827 8.102) 14.337 8.515 ( -1.384 0.615 -1.052) 1.844 9.404 ( 1.851 0.395 12.595) 12.737 9.464 ( -0.994 -31.950 4.593) 32.294 9.940 ( 1.926 -14.192 28.749) 32.119 10.202 ( -1.651 3.272 -7.149) 8.034 11.090 ( 0.089 -0.765 18.299) 18.316 11.624 ( -1.271 -8.061 16.878) 18.747 11.958 ( -0.834 0.280 17.831) 17.853 12.204 ( -0.349 3.628 -6.299) 7.278 12.330 ( -1.911 -8.372 28.037) 29.322 12.677 ( -2.594 -3.327 1.208) 4.388 13.151 ( 1.207 -3.210 -3.578) 4.956 13.946 ( 3.783 8.928 2.613) 10.043 14.185 ( -0.856 2.914 3.664) 4.758 14.280 ( -4.340 -2.860 -6.083) 8.001 15.285 ( -0.717 2.601 -6.036) 6.612 16.349 ( 1.491 14.850 -9.344) 17.608 16.443 ( -1.287 -2.722 -12.903) 13.250 16.880 ( 0.899 1.887 -3.179) 3.804 19.280 ( 0.141 -1.472 -19.420) 19.477 25.542 ( -0.406 -5.217 8.889) 10.315 26.740 ( -0.381 -1.617 -14.532) 14.626 28.461 ( -0.165 0.111 1.390) 1.404 29.172 ( 0.368 3.759 29.101) 29.345 30.167 ( 4.195 16.302 -35.856) 39.610 30.409 ( -0.972 -3.814 -2.035) 4.430 ======================= Grid point 262 (92/155) ======================= q-point: ( 0.60 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 0.000 0.792 10.828) 10.857 1.575 ( 0.000 3.532 0.892) 3.643 1.629 ( -0.000 -5.384 11.168) 12.398 1.994 ( -0.000 -6.004 -11.673) 13.127 2.351 ( 0.000 6.609 2.669) 7.127 2.483 ( 0.000 4.999 -0.837) 5.068 2.843 ( 0.000 0.046 -5.680) 5.680 3.034 ( 0.000 6.817 -3.010) 7.452 3.170 ( -0.000 -0.790 -0.004) 0.790 3.429 ( -0.000 -4.491 8.538) 9.647 3.625 ( -0.000 -3.314 -11.126) 11.609 3.889 ( -0.000 -5.146 1.501) 5.361 4.182 ( -0.000 -2.564 9.637) 9.972 4.441 ( -0.000 -9.238 12.915) 15.879 4.783 ( 0.000 5.283 1.496) 5.491 4.866 ( -0.000 -2.373 30.201) 30.294 4.992 ( 0.000 9.458 -0.471) 9.470 5.012 ( -0.000 -1.266 26.173) 26.204 5.623 ( 0.000 2.297 -7.448) 7.794 7.805 ( 0.000 7.746 0.005) 7.746 7.877 ( -0.000 -9.140 17.068) 19.361 8.403 ( -0.000 -20.085 -1.003) 20.110 8.477 ( 0.000 2.916 -1.920) 3.491 9.370 ( -0.000 -2.104 18.056) 18.178 9.996 ( -0.000 -9.347 -0.716) 9.375 10.191 ( -0.000 -10.932 22.276) 24.814 10.269 ( -0.000 -21.905 -3.680) 22.212 11.112 ( -0.000 -1.886 17.931) 18.030 11.691 ( -0.000 -1.399 19.489) 19.539 12.152 ( 0.000 1.168 -8.297) 8.379 12.167 ( -0.000 -21.351 13.089) 25.044 12.438 ( -0.000 -3.058 17.802) 18.063 12.714 ( -0.000 -1.016 -3.193) 3.351 13.258 ( -0.000 -8.216 -1.901) 8.433 13.727 ( 0.000 15.453 -0.672) 15.467 14.133 ( 0.000 2.065 7.636) 7.910 14.315 ( -0.000 -1.789 -9.108) 9.282 15.227 ( 0.000 3.402 -3.137) 4.628 15.993 ( 0.000 21.961 -1.075) 21.988 16.511 ( -0.000 -3.848 -14.787) 15.279 16.835 ( 0.000 3.247 -2.536) 4.120 19.305 ( -0.000 -0.968 -18.700) 18.725 25.648 ( -0.000 -6.041 8.286) 10.255 26.782 ( -0.000 -2.870 -15.065) 15.336 28.458 ( 0.000 0.175 1.056) 1.070 29.093 ( 0.000 4.562 28.343) 28.708 29.801 ( 0.000 23.543 -26.928) 35.769 30.480 ( -0.000 -3.769 -4.120) 5.584 ======================= Grid point 273 (93/155) ======================= q-point: (-0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 0.000 -0.000 11.336) 11.336 1.529 ( 0.000 -0.000 17.316) 17.316 1.652 ( -0.000 0.000 -9.454) 9.454 1.903 ( 0.000 0.000 -7.206) 7.206 2.600 ( 0.000 -0.000 0.194) 0.194 2.752 ( -0.000 0.000 11.814) 11.814 2.775 ( 0.000 -0.000 -8.550) 8.550 2.982 ( 0.000 0.000 7.122) 7.122 3.081 ( -0.000 0.000 -7.796) 7.796 3.283 ( 0.000 -0.000 6.220) 6.220 3.552 ( -0.000 0.000 -6.792) 6.792 3.832 ( 0.000 -0.000 -0.444) 0.444 4.094 ( -0.000 0.000 6.483) 6.483 4.150 ( 0.000 -0.000 2.373) 2.373 4.786 ( -0.000 0.000 40.839) 40.839 4.875 ( -0.000 0.000 -2.371) 2.371 5.018 ( 0.000 -0.000 20.515) 20.515 5.377 ( 0.000 -0.000 -5.240) 5.240 5.441 ( -0.000 0.000 -10.262) 10.262 7.472 ( 0.000 0.000 4.937) 4.937 7.997 ( -0.000 0.000 -7.971) 7.971 8.515 ( -0.000 0.000 -0.408) 0.408 8.644 ( 0.000 0.000 -10.899) 10.899 8.918 ( -0.000 0.000 27.381) 27.381 9.529 ( -0.000 0.000 1.335) 1.335 9.752 ( 0.000 -0.000 44.470) 44.470 10.240 ( 0.000 -0.000 -10.682) 10.682 11.084 ( 0.000 0.000 18.128) 18.128 11.521 ( 0.000 -0.000 16.386) 16.386 12.013 ( 0.000 -0.000 14.150) 14.150 12.202 ( 0.000 -0.000 38.566) 38.566 12.247 ( -0.000 0.000 -5.784) 5.784 12.627 ( 0.000 -0.000 2.668) 2.668 13.128 ( 0.000 0.000 -4.415) 4.415 14.060 ( 0.000 -0.000 6.572) 6.572 14.209 ( -0.000 0.000 7.539) 7.539 14.224 ( -0.000 0.000 -12.883) 12.883 15.309 ( 0.000 -0.000 -8.126) 8.126 16.402 ( 0.000 -0.000 -13.032) 13.032 16.506 ( -0.000 0.000 -11.307) 11.307 16.901 ( -0.000 0.000 -4.370) 4.370 19.264 ( -0.000 0.000 -19.585) 19.585 25.489 ( 0.000 -0.000 9.554) 9.554 26.724 ( 0.000 -0.000 -14.363) 14.363 28.461 ( 0.000 -0.000 1.503) 1.503 29.211 ( -0.000 0.000 29.732) 29.732 30.339 ( 0.000 0.000 -41.053) 41.053 30.366 ( 0.000 0.000 -0.162) 0.162 ======================= Grid point 321 (94/155) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 0.000 0.000 4.468) 4.468 1.467 ( 0.000 0.000 18.045) 18.045 1.678 ( 0.000 0.000 -13.073) 13.073 1.968 ( 0.000 0.000 9.832) 9.832 2.610 ( 0.000 0.000 -3.776) 3.776 2.616 ( 0.000 0.000 3.663) 3.663 2.815 ( 0.000 0.000 0.527) 0.527 2.854 ( 0.000 0.000 8.625) 8.625 3.262 ( 0.000 0.000 6.137) 6.137 3.299 ( 0.000 0.000 -0.894) 0.894 4.010 ( 0.000 0.000 3.174) 3.174 4.226 ( 0.000 0.000 3.831) 3.831 4.419 ( 0.000 0.000 -4.635) 4.635 4.433 ( 0.000 0.000 -0.206) 0.206 4.810 ( 0.000 0.000 -1.217) 1.217 4.853 ( 0.000 0.000 2.640) 2.640 4.954 ( 0.000 0.000 -1.180) 1.180 5.071 ( 0.000 0.000 -2.661) 2.661 6.390 ( 0.000 0.000 51.035) 51.035 7.632 ( 0.000 0.000 11.181) 11.181 7.867 ( 0.000 0.000 -8.549) 8.549 8.186 ( 0.000 0.000 6.365) 6.365 8.598 ( 0.000 0.000 -12.774) 12.774 8.873 ( 0.000 0.000 11.996) 11.996 9.115 ( 0.000 0.000 -21.216) 21.216 10.268 ( 0.000 0.000 -14.631) 14.631 10.674 ( 0.000 0.000 49.060) 49.060 11.515 ( 0.000 0.000 24.507) 24.507 11.883 ( 0.000 0.000 13.905) 13.905 12.223 ( 0.000 0.000 4.728) 4.728 12.584 ( 0.000 0.000 11.764) 11.764 12.751 ( 0.000 0.000 -9.077) 9.077 12.925 ( 0.000 0.000 2.573) 2.573 13.027 ( 0.000 0.000 -1.023) 1.023 13.774 ( 0.000 0.000 -10.031) 10.031 13.867 ( 0.000 0.000 -18.182) 18.182 14.750 ( 0.000 0.000 3.460) 3.460 15.722 ( 0.000 0.000 3.196) 3.196 15.953 ( 0.000 0.000 -21.206) 21.206 16.374 ( 0.000 0.000 -11.037) 11.037 17.056 ( 0.000 0.000 24.684) 24.684 18.763 ( 0.000 0.000 -25.645) 25.645 25.707 ( 0.000 0.000 11.399) 11.399 26.568 ( 0.000 0.000 -16.113) 16.113 28.543 ( 0.000 0.000 2.815) 2.815 28.823 ( 0.000 0.000 -6.016) 6.016 29.947 ( 0.000 0.000 12.666) 12.666 30.362 ( 0.000 0.000 -1.287) 1.287 ======================= Grid point 322 (95/155) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 4.834 -6.439 4.282) 9.119 1.415 ( 0.841 3.507 18.077) 18.433 1.698 ( 0.743 -1.718 -11.831) 11.978 2.043 ( -2.458 -6.780 6.146) 9.475 2.511 ( 1.032 6.433 1.435) 6.671 2.677 ( -0.402 -1.341 -3.090) 3.393 2.778 ( 0.920 2.085 4.985) 5.481 2.891 ( -0.304 -1.003 3.717) 3.862 3.126 ( 1.867 6.493 4.227) 7.969 3.415 ( -1.222 -5.200 -1.246) 5.485 3.996 ( -7.137 1.052 3.308) 7.936 4.075 ( 3.111 9.853 5.011) 11.483 4.428 ( -0.877 -1.065 0.133) 1.386 4.490 ( -2.882 -2.047 -1.655) 3.903 4.696 ( -1.965 7.186 -0.765) 7.489 4.824 ( 5.644 3.150 1.167) 6.568 5.015 ( -1.065 -4.710 -1.837) 5.166 5.085 ( 1.241 0.246 -2.602) 2.893 6.367 ( -0.967 1.411 54.120) 54.147 7.740 ( -0.714 -12.191 10.028) 15.802 8.008 ( -5.107 -12.770 -5.670) 14.876 8.222 ( 6.419 -0.708 5.800) 8.680 8.654 ( -1.524 -4.658 -5.546) 7.401 9.095 ( 0.746 -22.061 -1.741) 22.143 9.154 ( 4.768 -6.234 -17.056) 18.775 10.293 ( -1.584 -3.610 -12.167) 12.789 10.710 ( 0.754 -3.557 47.950) 48.088 11.499 ( -0.533 1.365 22.551) 22.598 11.960 ( 0.010 -7.998 11.308) 13.850 12.186 ( -0.728 3.502 4.860) 6.034 12.476 ( -2.784 8.791 8.511) 12.549 12.735 ( 2.230 2.531 -4.017) 5.245 12.914 ( -1.542 0.180 -1.398) 2.089 13.058 ( 0.147 -1.439 1.058) 1.792 13.677 ( 0.430 5.008 -11.572) 12.617 13.998 ( -0.983 -8.795 -13.116) 15.823 14.679 ( -0.438 6.931 5.601) 8.922 15.661 ( -2.730 5.493 4.376) 7.535 15.924 ( 0.355 3.142 -19.752) 20.004 16.359 ( -0.652 1.522 -11.802) 11.917 16.988 ( -0.696 5.896 25.046) 25.740 18.780 ( -0.107 -1.600 -26.442) 26.491 25.785 ( -0.437 -7.672 8.815) 11.694 26.556 ( -1.267 0.644 -15.053) 15.120 28.533 ( -0.113 1.020 2.853) 3.032 28.827 ( 5.257 1.589 -6.459) 8.478 29.870 ( -0.443 7.175 15.228) 16.840 30.387 ( -0.185 -1.986 -3.402) 3.944 ======================= Grid point 323 (96/155) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 5.234 -7.072 5.562) 10.409 1.415 ( 3.652 -2.084 15.005) 15.583 1.748 ( 0.498 -3.322 -10.045) 10.592 2.121 ( -5.004 -4.003 0.453) 6.425 2.391 ( 0.484 7.246 1.450) 7.405 2.648 ( -4.229 2.294 -1.651) 5.087 2.733 ( -0.595 3.935 0.133) 3.982 2.852 ( -2.439 3.535 0.994) 4.408 3.120 ( 10.464 -0.705 3.073) 10.929 3.459 ( -0.940 -0.809 -4.687) 4.849 3.808 ( 0.421 11.130 1.752) 11.275 4.051 ( -9.275 -2.541 5.876) 11.270 4.389 ( 1.893 5.724 0.630) 6.062 4.463 ( 0.498 0.766 3.520) 3.637 4.630 ( -1.605 -1.161 1.521) 2.498 4.829 ( 6.317 1.735 0.821) 6.602 5.054 ( -3.035 -2.237 2.157) 4.343 5.123 ( 5.832 -1.599 -7.452) 9.597 6.341 ( -0.735 0.765 57.644) 57.654 7.902 ( -2.109 -3.721 3.114) 5.290 8.230 ( -0.246 -4.163 6.726) 7.914 8.351 ( -3.546 -21.079 2.982) 21.582 8.714 ( -3.412 -4.976 -0.205) 6.037 9.238 ( 4.630 -5.487 -16.578) 18.066 9.747 ( 6.260 -34.524 -6.372) 35.661 10.402 ( -4.641 -11.727 -6.247) 14.074 10.805 ( 2.003 -5.493 43.394) 43.786 11.468 ( 0.226 1.665 17.676) 17.756 12.058 ( -1.266 4.447 -1.002) 4.731 12.154 ( -4.076 -4.892 10.538) 12.312 12.333 ( 3.162 1.510 7.912) 8.653 12.702 ( -0.952 0.701 2.479) 2.746 12.891 ( -0.182 2.492 -5.643) 6.171 13.058 ( 0.990 0.705 -0.482) 1.307 13.624 ( 0.105 1.706 -4.947) 5.234 14.122 ( -3.592 -5.949 -9.474) 11.749 14.529 ( 0.625 8.448 8.584) 12.060 15.493 ( -3.064 10.821 6.168) 12.827 15.848 ( 0.227 5.203 -15.971) 16.799 16.308 ( -1.643 3.092 -13.816) 14.253 16.884 ( 0.304 4.566 23.527) 23.967 18.809 ( -0.149 -1.395 -27.472) 27.508 25.933 ( -1.997 -8.156 5.309) 9.934 26.539 ( -1.159 -0.042 -13.115) 13.166 28.508 ( -0.061 1.548 2.887) 3.277 28.826 ( 7.217 3.193 -7.152) 10.650 29.720 ( -0.590 8.107 18.856) 20.534 30.410 ( -0.407 -0.522 -6.378) 6.412 ======================= Grid point 324 (97/155) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 5.653 -7.227 8.366) 12.416 1.505 ( 3.022 -4.180 9.582) 10.882 1.831 ( 0.843 -5.440 -9.463) 10.948 2.117 ( -5.246 1.030 -1.408) 5.529 2.272 ( 0.369 5.289 0.863) 5.372 2.559 ( -5.965 3.248 -2.027) 7.088 2.645 ( -0.195 4.409 -4.170) 6.072 2.758 ( -2.853 4.463 -3.461) 6.327 3.213 ( 10.453 -0.221 0.092) 10.456 3.421 ( -2.676 4.089 -3.542) 6.036 3.672 ( 2.387 3.965 0.482) 4.653 3.946 ( -7.589 6.577 -2.450) 10.337 4.374 ( 5.157 -0.025 8.478) 9.923 4.463 ( 1.880 -1.052 6.976) 7.301 4.677 ( 0.611 -3.068 1.315) 3.394 4.833 ( 2.617 0.436 3.697) 4.550 5.073 ( -0.934 -0.334 1.672) 1.944 5.199 ( 6.223 -2.297 -7.581) 10.073 6.330 ( -0.446 -0.025 59.247) 59.248 7.892 ( -3.260 1.639 1.587) 3.979 8.263 ( -1.205 -2.231 9.159) 9.503 8.560 ( -4.070 -1.278 5.249) 6.764 8.954 ( -7.322 -23.325 -4.080) 24.786 9.397 ( 6.835 -7.856 -12.806) 16.506 10.252 ( 4.216 -15.876 4.962) 17.160 10.698 ( -6.241 -20.993 5.391) 22.555 10.926 ( 2.019 -7.205 26.835) 27.859 11.451 ( 2.368 0.947 12.492) 12.750 11.945 ( -2.983 3.069 -3.305) 5.407 12.147 ( -0.610 -0.193 6.284) 6.316 12.437 ( 5.941 -0.402 6.760) 9.009 12.752 ( -0.394 -3.677 0.892) 3.804 12.826 ( -6.109 -2.820 -0.629) 6.758 13.102 ( 6.496 -3.994 -1.317) 7.739 13.589 ( -2.112 1.430 2.388) 3.494 14.164 ( -4.731 -1.941 -5.475) 7.492 14.407 ( 1.465 5.535 7.235) 9.226 15.224 ( -2.198 16.706 7.335) 18.378 15.749 ( -0.800 5.043 -11.791) 12.849 16.238 ( -0.924 3.195 -18.310) 18.609 16.830 ( 0.692 2.002 21.988) 22.090 18.828 ( -0.034 -0.836 -27.706) 27.718 26.030 ( -3.004 -4.210 4.961) 7.167 26.550 ( -0.298 -1.543 -12.237) 12.338 28.481 ( 0.165 1.329 2.747) 3.057 28.804 ( 5.802 3.927 -7.252) 10.084 29.584 ( -0.570 6.090 20.885) 21.763 30.403 ( -0.386 0.773 -8.255) 8.301 ======================= Grid point 325 (98/155) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 6.454 -6.858 8.993) 13.022 1.580 ( -0.402 -2.507 5.147) 5.739 1.943 ( 0.685 -4.306 -7.618) 8.777 2.036 ( -3.021 2.723 -1.657) 4.392 2.213 ( 1.361 1.203 0.101) 1.819 2.456 ( -4.105 4.979 -7.392) 9.812 2.590 ( 0.376 1.681 -4.643) 4.952 2.666 ( -3.462 2.793 -6.151) 7.590 3.233 ( 2.999 3.084 -0.035) 4.302 3.337 ( -0.396 1.714 -2.622) 3.157 3.664 ( 1.761 -0.200 -0.826) 1.955 3.779 ( -1.399 7.327 -3.675) 8.315 4.395 ( 1.367 -0.159 7.684) 7.806 4.538 ( 4.544 -3.641 8.098) 9.974 4.700 ( 0.614 1.439 1.871) 2.439 4.875 ( 0.259 -3.815 7.494) 8.413 5.045 ( 0.194 2.838 0.772) 2.948 5.274 ( 3.428 -2.000 -5.881) 7.095 6.335 ( -0.184 -0.617 59.650) 59.653 7.830 ( -2.472 2.293 1.282) 3.607 8.309 ( -0.627 -3.426 11.165) 11.696 8.500 ( -3.530 3.402 6.844) 8.419 9.239 ( -5.625 -11.359 -12.473) 17.784 9.596 ( 4.028 -8.346 -11.911) 15.091 10.493 ( 3.289 -9.871 19.399) 22.012 10.825 ( -2.114 1.792 31.601) 31.722 11.153 ( -4.110 -13.804 -0.484) 14.411 11.457 ( 3.148 1.083 9.367) 9.941 11.958 ( 0.498 -4.830 -13.085) 13.956 12.183 ( 1.950 -1.323 2.601) 3.510 12.422 ( 2.978 1.241 4.328) 5.398 12.659 ( -6.790 4.835 4.070) 9.276 12.945 ( 4.325 -1.283 7.508) 8.760 13.349 ( 1.523 -18.220 3.105) 18.546 13.576 ( 0.269 -2.713 2.687) 3.828 14.115 ( -4.379 6.185 -6.403) 9.921 14.364 ( 0.881 -2.060 7.840) 8.154 14.869 ( -1.719 19.822 8.500) 21.636 15.666 ( -1.062 3.117 -9.972) 10.501 16.188 ( 0.163 1.931 -23.381) 23.461 16.811 ( 0.335 0.618 22.285) 22.296 18.840 ( 0.043 -0.421 -27.445) 27.448 26.058 ( -2.075 -1.197 6.334) 6.772 26.581 ( 0.034 -1.530 -12.299) 12.394 28.464 ( 0.272 0.628 2.409) 2.504 28.768 ( 2.904 2.827 -6.768) 7.888 29.496 ( -0.353 3.158 21.629) 21.861 30.385 ( -0.203 0.820 -9.196) 9.235 ======================= Grid point 326 (99/155) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 0.000 -0.000 7.456) 7.456 1.583 ( -0.000 0.000 3.894) 3.894 1.946 ( 0.000 -0.000 0.742) 0.742 2.025 ( 0.000 -0.000 -6.026) 6.026 2.270 ( 0.000 -0.000 -2.464) 2.464 2.335 ( 0.000 -0.000 -9.802) 9.802 2.579 ( 0.000 -0.000 -4.371) 4.371 2.628 ( -0.000 -0.000 -7.574) 7.574 3.202 ( 0.000 -0.000 1.283) 1.283 3.332 ( -0.000 -0.000 -3.691) 3.691 3.681 ( 0.000 0.000 -2.136) 2.136 3.693 ( -0.000 -0.000 -2.261) 2.261 4.402 ( 0.000 -0.000 7.267) 7.267 4.611 ( 0.000 -0.000 7.266) 7.266 4.664 ( 0.000 -0.000 3.539) 3.539 4.931 ( -0.000 0.000 9.348) 9.348 5.001 ( -0.000 -0.000 -0.142) 0.142 5.305 ( 0.000 -0.000 -5.288) 5.288 6.342 ( -0.000 0.000 59.611) 59.611 7.798 ( 0.000 -0.000 0.977) 0.977 8.358 ( -0.000 0.000 12.741) 12.741 8.435 ( 0.000 -0.000 6.629) 6.629 9.318 ( 0.000 -0.000 -14.390) 14.390 9.693 ( 0.000 -0.000 -14.475) 14.475 10.641 ( 0.000 -0.000 27.752) 27.752 10.746 ( -0.000 -0.000 28.482) 28.482 11.276 ( 0.000 0.000 1.673) 1.673 11.448 ( 0.000 -0.000 7.725) 7.725 12.041 ( 0.000 -0.000 -21.068) 21.068 12.171 ( 0.000 -0.000 -1.699) 1.699 12.485 ( 0.000 -0.000 8.129) 8.129 12.542 ( -0.000 0.000 5.225) 5.225 12.953 ( 0.000 -0.000 16.048) 16.048 13.503 ( 0.000 -0.000 8.243) 8.243 13.810 ( 0.000 -0.000 -1.988) 1.988 13.874 ( -0.000 0.000 -8.924) 8.924 14.531 ( 0.000 0.001 3.580) 3.580 14.531 ( -0.000 -0.001 13.590) 13.590 15.632 ( -0.000 -0.000 -9.841) 9.841 16.171 ( -0.000 -0.000 -25.499) 25.499 16.807 ( -0.000 -0.000 22.735) 22.735 18.844 ( 0.000 -0.000 -27.273) 27.273 26.060 ( 0.000 -0.000 7.045) 7.045 26.596 ( 0.000 -0.000 -12.402) 12.402 28.460 ( 0.000 -0.000 2.200) 2.200 28.750 ( 0.000 -0.000 -6.436) 6.436 29.466 ( 0.000 -0.000 21.782) 21.782 30.376 ( 0.000 -0.000 -9.477) 9.477 ======================= Grid point 333 (100/155) ======================= q-point: ( 0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 11.008 -0.000 3.572) 11.573 1.461 ( -0.489 0.000 15.256) 15.263 1.698 ( 2.548 -0.000 -10.337) 10.646 1.945 ( -3.257 0.000 10.694) 11.179 2.617 ( 0.037 -0.000 0.631) 0.632 2.636 ( 3.371 -0.000 -3.397) 4.786 2.838 ( 3.168 -0.000 2.553) 4.069 2.854 ( 0.465 -0.000 7.502) 7.516 3.260 ( -0.215 0.000 6.616) 6.620 3.273 ( -3.829 0.000 -0.871) 3.927 3.936 ( -9.337 0.000 0.486) 9.350 4.235 ( 0.202 -0.000 6.832) 6.835 4.391 ( -3.916 0.000 -1.171) 4.088 4.425 ( -2.437 0.000 -2.783) 3.699 4.770 ( -1.039 0.000 -1.853) 2.125 4.881 ( -8.506 0.000 -0.246) 8.509 4.954 ( 9.745 -0.000 1.176) 9.815 5.100 ( 3.094 -0.000 -4.735) 5.656 6.370 ( -2.645 0.000 53.054) 53.120 7.596 ( -3.840 0.000 10.416) 11.102 7.860 ( -0.950 0.000 -8.659) 8.711 8.294 ( 13.518 -0.000 5.373) 14.546 8.572 ( -3.582 0.000 -13.107) 13.588 8.889 ( 2.839 -0.000 12.686) 12.999 9.149 ( 4.963 -0.000 -19.447) 20.070 10.252 ( -2.359 0.000 -14.104) 14.300 10.681 ( 1.042 -0.000 48.822) 48.834 11.505 ( -1.478 0.000 23.161) 23.208 11.881 ( -0.311 0.000 13.978) 13.982 12.218 ( -0.715 0.000 5.216) 5.265 12.539 ( -5.473 0.000 8.997) 10.531 12.800 ( 6.005 -0.000 -6.237) 8.658 12.872 ( -6.531 0.000 0.798) 6.580 13.043 ( 0.717 -0.000 1.483) 1.648 13.771 ( 0.042 -0.000 -9.416) 9.416 13.869 ( 0.231 -0.000 -18.300) 18.301 14.740 ( -1.597 0.000 4.370) 4.653 15.680 ( -6.090 0.000 5.674) 8.324 15.957 ( 0.645 -0.000 -21.139) 21.148 16.370 ( -0.717 0.000 -11.040) 11.063 17.040 ( -2.162 0.000 23.290) 23.391 18.762 ( -0.118 0.000 -25.927) 25.927 25.707 ( -0.077 0.000 11.325) 11.325 26.549 ( -2.648 0.000 -15.395) 15.621 28.541 ( -0.273 0.000 3.011) 3.023 28.897 ( 10.635 -0.000 -8.457) 13.588 29.940 ( -1.206 0.000 12.189) 12.249 30.361 ( -0.196 0.000 -1.345) 1.359 ======================= Grid point 334 (101/155) ======================= q-point: ( 0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 11.853 -3.910 3.205) 12.886 1.438 ( 2.720 1.382 15.406) 15.705 1.715 ( 1.680 -0.762 -9.173) 9.357 1.987 ( -5.528 -5.594 8.082) 11.277 2.530 ( 1.351 6.832 0.622) 6.992 2.668 ( -1.065 1.463 -1.706) 2.487 2.799 ( 1.812 3.259 0.807) 3.816 2.889 ( 0.750 0.835 3.981) 4.136 3.166 ( 3.434 0.885 3.207) 4.781 3.389 ( -2.244 -5.985 -0.146) 6.393 3.889 ( -8.687 -1.971 0.337) 8.915 4.069 ( -4.405 11.793 4.954) 13.529 4.400 ( -4.316 -0.166 5.004) 6.610 4.439 ( -2.904 -4.064 -1.056) 5.105 4.695 ( 1.993 5.253 -3.043) 6.389 4.875 ( 0.271 -2.145 1.374) 2.562 5.009 ( 1.096 0.783 -0.967) 1.659 5.134 ( 6.364 -1.672 -6.099) 8.971 6.346 ( -2.029 0.527 56.402) 56.440 7.728 ( -0.826 -14.011 8.961) 16.652 7.932 ( -5.440 -9.344 -5.861) 12.299 8.314 ( 5.641 4.174 2.669) 7.507 8.621 ( -3.101 -4.300 -4.521) 6.967 9.141 ( 6.354 -16.686 -4.195) 18.341 9.249 ( 9.124 -13.379 -10.169) 19.122 10.254 ( -4.219 -2.750 -10.217) 11.391 10.727 ( 1.715 -3.935 46.565) 46.763 11.486 ( -1.434 0.718 20.244) 20.307 11.960 ( -0.130 -8.291 11.722) 14.358 12.170 ( -1.575 4.468 5.159) 7.004 12.420 ( -4.969 6.867 8.044) 11.685 12.761 ( -0.148 4.120 -1.520) 4.394 12.898 ( 0.391 -2.295 -2.783) 3.629 13.051 ( -1.608 -0.731 2.135) 2.771 13.691 ( 1.777 4.926 -11.221) 12.383 13.978 ( -1.724 -7.330 -12.938) 14.970 14.666 ( -1.815 6.102 7.100) 9.536 15.594 ( -7.091 4.282 7.553) 11.210 15.935 ( 1.398 3.117 -19.566) 19.862 16.341 ( -2.087 2.154 -11.166) 11.562 16.975 ( -1.035 4.696 22.066) 22.584 18.778 ( -0.178 -1.562 -26.846) 26.892 25.775 ( -1.028 -6.805 9.210) 11.497 26.528 ( -2.681 0.065 -14.180) 14.431 28.530 ( -0.298 0.940 3.175) 3.324 28.952 ( 12.720 2.885 -10.305) 16.622 29.858 ( -1.530 6.895 14.393) 16.032 30.383 ( -0.491 -1.860 -3.356) 3.868 ======================= Grid point 335 (102/155) ======================= q-point: ( 0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 9.491 -4.560 5.404) 11.835 1.476 ( 5.147 -2.119 13.116) 14.248 1.758 ( 1.005 -3.041 -8.278) 8.876 2.035 ( -7.525 -4.307 4.244) 9.653 2.397 ( 0.427 7.907 2.033) 8.175 2.584 ( -4.693 4.297 0.460) 6.380 2.730 ( -0.672 4.463 -5.450) 7.076 2.843 ( 1.333 4.719 -0.397) 4.920 3.242 ( 6.474 -3.105 0.802) 7.224 3.444 ( -0.943 -0.935 -4.013) 4.227 3.807 ( -2.007 9.896 1.379) 10.191 3.916 ( -8.930 -2.883 2.559) 9.726 4.370 ( -3.801 -0.886 8.287) 9.160 4.497 ( 5.019 -0.648 3.183) 5.979 4.662 ( 4.987 0.577 -0.960) 5.111 4.893 ( 3.235 2.751 1.278) 4.435 5.004 ( -4.054 -3.769 1.485) 5.731 5.223 ( 8.547 -1.417 -8.372) 12.048 6.328 ( -1.125 0.248 58.911) 58.922 7.867 ( -2.972 -2.059 2.016) 4.140 8.223 ( -1.378 -13.685 2.741) 14.024 8.292 ( -4.278 -10.113 3.240) 11.449 8.657 ( -4.922 -4.008 -0.426) 6.362 9.315 ( 6.547 -5.887 -12.717) 15.467 9.855 ( 9.500 -32.103 -3.908) 33.707 10.325 ( -6.448 -10.644 -2.241) 12.645 10.834 ( 2.023 -5.718 40.289) 40.743 11.472 ( 0.386 0.211 15.914) 15.920 12.030 ( -2.793 7.517 0.619) 8.043 12.111 ( -2.292 -4.362 9.256) 10.486 12.369 ( 2.085 -6.745 9.158) 11.563 12.681 ( -2.229 3.134 1.145) 4.012 12.881 ( -1.645 4.484 -1.963) 5.164 13.082 ( 2.644 -3.250 -2.396) 4.826 13.624 ( -0.256 3.701 -6.015) 7.067 14.071 ( -3.397 -4.719 -8.692) 10.458 14.530 ( -0.671 6.945 9.692) 11.943 15.436 ( -5.298 8.799 7.588) 12.770 15.858 ( 1.433 6.284 -14.222) 15.614 16.275 ( -3.246 2.585 -13.446) 14.071 16.892 ( 0.942 3.941 20.096) 20.501 18.807 ( -0.115 -1.468 -27.804) 27.843 25.899 ( -2.832 -7.301 6.703) 10.308 26.521 ( -1.434 -1.008 -12.874) 12.993 28.507 ( -0.090 1.365 3.143) 3.428 28.951 ( 10.938 5.810 -10.905) 16.502 29.707 ( -1.493 7.757 18.224) 19.862 30.403 ( -0.670 -0.588 -6.128) 6.193 ======================= Grid point 336 (103/155) ======================= q-point: ( 0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 7.250 -6.116 8.535) 12.760 1.550 ( 3.486 -2.145 8.613) 9.535 1.845 ( 1.241 -5.753 -8.218) 10.108 2.040 ( -6.086 -0.808 1.898) 6.426 2.275 ( 0.124 5.102 1.822) 5.419 2.482 ( -5.132 2.884 -1.271) 6.022 2.636 ( -1.265 4.635 -7.171) 8.632 2.747 ( 0.714 5.995 -5.494) 8.163 3.295 ( 0.904 1.400 -0.287) 1.691 3.405 ( 0.967 3.629 -3.549) 5.167 3.680 ( -2.007 2.093 0.386) 2.925 3.883 ( -1.046 3.804 -2.094) 4.467 4.382 ( -0.678 -1.561 9.558) 9.708 4.546 ( 8.326 -0.409 6.014) 10.279 4.715 ( 4.249 -1.509 2.145) 4.993 4.855 ( 0.878 1.747 3.522) 4.028 5.057 ( -1.543 -2.684 2.864) 4.217 5.284 ( 6.342 0.014 -9.069) 11.067 6.323 ( -0.614 -0.342 59.828) 59.832 7.842 ( -4.159 1.236 1.949) 4.756 8.250 ( -0.803 -1.635 7.396) 7.617 8.496 ( -5.254 -2.261 4.118) 7.049 8.861 ( -6.488 -22.214 -5.915) 23.886 9.480 ( 5.494 -7.648 -10.732) 14.277 10.301 ( 2.445 -13.407 8.977) 16.319 10.640 ( -1.839 -22.454 4.249) 22.927 10.937 ( -0.209 -5.019 27.645) 28.098 11.483 ( 2.188 -0.165 13.253) 13.433 11.918 ( -0.852 1.310 -4.724) 4.976 12.143 ( -0.314 -2.843 7.683) 8.198 12.492 ( 2.138 3.496 2.428) 4.763 12.728 ( -4.485 -0.079 2.678) 5.225 12.785 ( 1.426 -10.021 1.668) 10.258 13.183 ( 5.817 -4.006 -1.895) 7.312 13.550 ( -3.872 1.694 0.444) 4.250 14.110 ( -3.107 -1.774 -5.787) 6.804 14.416 ( -0.190 5.162 9.360) 10.690 15.188 ( -3.069 15.537 6.872) 17.264 15.744 ( 0.175 6.002 -8.359) 10.293 16.217 ( -2.336 1.783 -19.396) 19.617 16.843 ( 1.350 2.352 19.766) 19.951 18.828 ( 0.037 -0.905 -27.923) 27.937 25.987 ( -3.255 -4.534 6.491) 8.561 26.546 ( -0.282 -2.070 -12.449) 12.623 28.483 ( 0.208 1.172 2.797) 3.040 28.890 ( 6.921 6.909 -9.971) 13.966 29.573 ( -1.137 5.673 20.763) 21.554 30.397 ( -0.481 0.583 -7.990) 8.026 ======================= Grid point 337 (104/155) ======================= q-point: ( 0.50 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 1.202 -4.776 8.795) 10.080 1.596 ( 3.530 -0.911 4.725) 5.968 1.948 ( 0.001 -1.886 -2.473) 3.110 2.010 ( -0.961 -0.940 -4.788) 4.973 2.226 ( 0.856 -0.687 0.813) 1.366 2.398 ( -4.442 4.139 -6.760) 9.086 2.556 ( -3.913 1.770 -5.340) 6.853 2.666 ( 1.929 2.811 -7.992) 8.689 3.223 ( -1.775 3.475 2.017) 4.393 3.383 ( 4.466 1.715 -3.975) 6.220 3.653 ( -3.479 -0.184 -0.440) 3.511 3.780 ( 2.029 6.682 -4.048) 8.072 4.403 ( 0.200 -0.253 7.831) 7.837 4.604 ( 4.859 -0.664 7.248) 8.751 4.718 ( 1.861 3.492 3.273) 5.135 4.873 ( -0.251 -3.175 7.535) 8.180 5.064 ( 2.100 1.852 2.264) 3.601 5.310 ( 2.058 0.341 -7.594) 7.876 6.332 ( -0.268 -0.832 59.862) 59.868 7.797 ( -2.506 0.649 1.560) 3.023 8.301 ( -0.719 -4.032 10.458) 11.232 8.453 ( -3.250 1.657 6.289) 7.270 9.171 ( -4.443 -14.050 -12.614) 19.397 9.641 ( 2.687 -5.997 -12.490) 14.113 10.528 ( 1.764 -10.742 20.938) 23.599 10.804 ( -0.785 3.096 30.045) 30.214 11.109 ( -2.609 -13.540 1.207) 13.842 11.492 ( 2.268 1.141 11.128) 11.414 11.975 ( 1.951 -5.435 -14.788) 15.876 12.212 ( 2.295 -0.718 1.642) 2.912 12.425 ( -2.820 -0.606 3.970) 4.907 12.589 ( -3.427 5.701 4.392) 7.971 13.015 ( 6.222 0.106 8.107) 10.220 13.352 ( -1.202 -14.343 7.496) 16.228 13.587 ( 1.386 -8.855 -2.475) 9.298 14.057 ( -4.163 6.973 -7.598) 11.121 14.375 ( 0.826 -2.584 10.862) 11.195 14.842 ( -2.150 19.343 7.126) 20.726 15.661 ( 0.347 3.034 -7.762) 8.341 16.177 ( -1.784 1.125 -24.085) 24.177 16.820 ( 1.005 1.140 21.130) 21.184 18.840 ( 0.069 -0.402 -27.548) 27.551 26.031 ( -1.892 -2.475 7.181) 7.828 26.581 ( 0.089 -1.575 -12.479) 12.578 28.468 ( 0.243 0.714 2.336) 2.455 28.807 ( 2.891 5.249 -8.061) 10.045 29.490 ( -0.556 2.772 21.712) 21.896 30.382 ( -0.203 0.650 -9.051) 9.077 ======================= Grid point 338 (105/155) ======================= q-point: (-0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -6.009 3.061 9.360) 11.536 1.636 ( 4.325 1.050 2.337) 5.027 1.956 ( 1.214 -1.189 0.160) 1.706 2.028 ( 0.548 -0.596 -5.423) 5.483 2.239 ( -3.508 5.509 -4.466) 7.912 2.356 ( 2.111 -7.100 -7.570) 10.592 2.535 ( -3.911 -1.858 -5.289) 6.835 2.672 ( 3.839 -0.905 -7.534) 8.504 3.181 ( -1.881 0.305 1.969) 2.740 3.377 ( 5.312 2.461 -2.964) 6.562 3.652 ( -3.754 -2.604 -2.317) 5.123 3.697 ( 0.309 2.326 -2.269) 3.264 4.388 ( -1.912 0.749 6.600) 6.912 4.600 ( -0.911 4.121 8.195) 9.217 4.678 ( 1.523 -0.159 2.717) 3.119 4.914 ( -1.674 -0.435 9.352) 9.511 5.046 ( 5.536 1.842 0.605) 5.866 5.290 ( -2.295 1.843 -6.242) 6.902 6.341 ( -0.080 -0.136 59.659) 59.659 7.799 ( 0.109 -1.872 1.116) 2.182 8.344 ( -1.617 -0.243 12.862) 12.966 8.450 ( 1.654 -2.987 6.865) 7.668 9.316 ( -0.356 -3.878 -14.868) 15.369 9.696 ( 0.410 2.164 -14.390) 14.558 10.634 ( -0.850 6.808 27.946) 28.776 10.745 ( -0.112 -5.833 28.128) 28.726 11.278 ( 0.297 -4.786 2.438) 5.379 11.459 ( 1.455 3.940 6.880) 8.061 12.042 ( 0.153 2.262 -20.593) 20.718 12.181 ( 1.500 0.727 -0.932) 1.910 12.391 ( -8.657 1.941 5.496) 10.436 12.618 ( 6.026 -6.691 7.005) 11.409 12.957 ( 0.470 5.052 15.872) 16.663 13.505 ( 0.181 -2.975 8.822) 9.312 13.770 ( -3.983 17.101 -4.764) 18.194 13.913 ( 3.659 -16.428 -6.398) 18.006 14.511 ( -1.443 13.191 6.523) 14.786 14.547 ( 1.014 -13.964 10.566) 17.541 15.642 ( 1.365 -0.340 -9.949) 10.048 16.156 ( -1.939 -0.468 -24.975) 25.055 16.812 ( 0.617 0.461 22.213) 22.227 18.844 ( 0.007 0.051 -27.268) 27.268 26.061 ( 0.038 -1.503 7.032) 7.191 26.596 ( 0.075 0.084 -12.418) 12.419 28.459 ( -0.047 0.240 2.201) 2.215 28.750 ( 0.043 1.926 -6.487) 6.767 29.465 ( -0.098 -0.300 21.861) 21.863 30.376 ( 0.000 -0.135 -9.477) 9.478 ======================= Grid point 339 (106/155) ======================= q-point: (-0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -4.964 6.238 10.812) 13.434 1.588 ( 0.577 5.329 4.387) 6.927 1.933 ( -0.655 5.488 -9.605) 11.082 2.083 ( 3.760 -4.376 -1.925) 6.082 2.188 ( -2.329 -2.879 -0.449) 3.730 2.502 ( 2.833 -6.104 -6.912) 9.646 2.565 ( -2.255 -3.834 -5.515) 7.085 2.738 ( 6.017 -2.448 -5.433) 8.469 3.148 ( -7.384 0.750 1.308) 7.536 3.395 ( 6.132 -0.894 -2.080) 6.537 3.621 ( -4.149 0.526 -0.604) 4.226 3.799 ( 1.229 -10.556 -4.628) 11.592 4.362 ( -3.086 1.006 8.231) 8.848 4.499 ( -1.406 4.341 8.700) 9.824 4.705 ( 1.188 -0.824 0.029) 1.446 4.859 ( -1.872 3.887 8.657) 9.673 5.071 ( 4.067 -0.151 -1.360) 4.291 5.217 ( -5.230 3.061 -4.868) 7.773 6.337 ( 0.071 0.433 59.539) 59.541 7.858 ( 1.542 -3.464 1.048) 3.933 8.317 ( 0.465 2.106 12.491) 12.676 8.539 ( 2.164 -4.122 7.209) 8.581 9.314 ( 5.308 6.473 -14.084) 16.384 9.539 ( -4.340 13.152 -10.126) 17.157 10.452 ( -2.557 9.981 18.043) 20.777 10.851 ( 1.592 -2.853 33.465) 33.624 11.214 ( 4.684 15.921 -2.835) 16.836 11.410 ( -3.792 -1.069 7.375) 8.361 11.963 ( 1.007 3.201 -11.284) 11.773 12.162 ( -1.210 2.234 6.058) 6.569 12.368 ( -4.260 -3.573 1.239) 5.696 12.752 ( 6.680 -1.385 5.777) 8.939 12.896 ( -3.502 -0.805 6.263) 7.220 13.323 ( -1.903 21.983 -0.465) 22.071 13.577 ( 0.158 -1.272 7.399) 7.509 14.166 ( 3.011 -6.504 -6.503) 9.678 14.353 ( -0.777 2.327 6.377) 6.833 14.886 ( 0.903 -20.240 9.399) 22.334 15.684 ( 1.448 -2.948 -11.981) 12.423 16.177 ( -1.222 -2.990 -22.094) 22.329 16.810 ( 0.175 -0.114 22.541) 22.542 18.839 ( -0.013 0.417 -27.353) 27.356 26.082 ( 1.380 0.018 5.550) 5.719 26.580 ( 0.008 1.525 -12.166) 12.261 28.461 ( -0.188 -0.582 2.460) 2.535 28.735 ( -1.815 -0.784 -5.778) 6.107 29.499 ( 0.126 -3.388 21.744) 22.007 30.387 ( 0.125 -0.956 -9.312) 9.362 ======================= Grid point 340 (107/155) ======================= q-point: (-0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -2.086 7.031 8.699) 11.378 1.476 ( -1.202 5.996 9.826) 11.574 1.823 ( -0.302 5.188 -10.120) 11.376 2.169 ( 2.258 -1.372 -4.493) 5.212 2.265 ( -0.571 -6.216 0.503) 6.262 2.611 ( 1.318 -4.089 -6.290) 7.618 2.653 ( 1.063 -6.097 0.823) 6.243 2.828 ( 6.700 -2.316 -2.488) 7.513 3.063 ( -10.121 1.434 2.799) 10.598 3.455 ( 1.835 -1.329 -4.582) 5.111 3.639 ( -1.855 -5.854 1.346) 6.287 4.052 ( 6.903 -13.147 -5.941) 15.993 4.275 ( -6.887 4.023 10.509) 13.193 4.462 ( 0.000 0.216 7.307) 7.310 4.710 ( 4.835 2.340 0.761) 5.425 4.784 ( -4.790 1.705 4.362) 6.699 5.089 ( 1.786 0.394 -2.142) 2.817 5.128 ( -4.197 2.622 -3.888) 6.293 6.334 ( 0.158 -0.185 58.877) 58.877 7.923 ( 1.208 -1.973 1.067) 2.547 8.277 ( 0.673 2.662 10.802) 11.146 8.597 ( 1.384 0.570 6.136) 6.316 9.040 ( 4.668 26.197 -1.020) 26.629 9.315 ( -4.486 5.808 -16.259) 17.838 10.209 ( -1.886 17.476 2.908) 17.817 10.783 ( 5.708 22.868 -0.913) 23.588 10.885 ( -3.747 6.274 32.326) 33.141 11.427 ( -1.049 -2.170 12.614) 12.843 11.982 ( 1.841 -3.539 -3.847) 5.542 12.162 ( 1.296 -3.416 6.624) 7.565 12.360 ( -4.319 3.387 8.154) 9.830 12.758 ( 0.384 1.976 -0.535) 2.082 12.913 ( 6.745 5.818 -0.527) 8.923 13.013 ( -6.736 1.397 -0.721) 6.917 13.607 ( 0.645 -1.063 3.631) 3.838 14.219 ( 2.873 1.670 -7.485) 8.190 14.384 ( -1.501 -5.581 8.206) 10.037 15.244 ( 0.773 -17.375 7.487) 18.935 15.760 ( 0.521 -4.423 -14.005) 14.696 16.244 ( 0.097 -4.382 -17.702) 18.237 16.825 ( -0.139 -1.703 23.328) 23.390 18.829 ( 0.028 0.771 -27.560) 27.571 26.059 ( 1.247 3.943 3.817) 5.627 26.553 ( 0.135 1.141 -12.116) 12.171 28.479 ( -0.064 -1.436 2.703) 3.062 28.748 ( -2.294 -1.948 -5.487) 6.259 29.589 ( 0.150 -6.256 21.143) 22.049 30.407 ( 0.146 -0.887 -8.413) 8.460 ======================= Grid point 341 (108/155) ======================= q-point: (-0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 0.000 8.215 5.596) 9.940 1.390 ( 0.000 1.960 15.797) 15.918 1.745 ( 0.000 3.432 -10.697) 11.234 2.156 ( 0.000 3.637 -1.603) 3.974 2.387 ( -0.000 -6.860 1.139) 6.954 2.674 ( -0.000 -2.095 -5.462) 5.850 2.746 ( -0.000 -2.421 6.774) 7.193 2.886 ( -0.000 -1.376 0.220) 1.394 3.026 ( -0.000 -2.630 4.301) 5.041 3.465 ( 0.000 0.560 -4.997) 5.028 3.805 ( -0.000 -12.177 2.428) 12.417 4.120 ( 0.000 6.609 10.108) 12.077 4.370 ( -0.000 -14.299 -8.948) 16.868 4.452 ( 0.000 0.971 5.534) 5.619 4.680 ( 0.000 3.268 6.966) 7.694 4.755 ( -0.000 -1.637 -2.282) 2.808 5.078 ( 0.000 0.626 1.885) 1.986 5.081 ( 0.000 1.977 -6.725) 7.010 6.346 ( -0.000 -1.007 57.073) 57.082 7.917 ( 0.000 4.258 3.432) 5.470 8.231 ( 0.000 2.344 8.448) 8.767 8.375 ( 0.000 23.647 3.137) 23.854 8.738 ( 0.000 5.576 0.289) 5.583 9.205 ( 0.000 4.874 -18.629) 19.256 9.704 ( 0.000 35.520 -7.299) 36.262 10.435 ( 0.000 12.569 -9.031) 15.477 10.790 ( 0.000 5.094 45.682) 45.965 11.466 ( -0.000 -2.236 18.441) 18.576 12.066 ( -0.000 -2.778 -1.139) 3.002 12.193 ( 0.000 9.245 11.534) 14.782 12.303 ( -0.000 -9.678 6.253) 11.522 12.708 ( 0.000 1.091 2.902) 3.100 12.891 ( -0.000 -1.846 -6.589) 6.843 13.052 ( -0.000 -2.422 0.083) 2.424 13.623 ( -0.000 -1.098 -4.589) 4.718 14.149 ( 0.000 6.681 -10.193) 12.187 14.523 ( -0.000 -9.257 8.654) 12.672 15.513 ( -0.000 -11.621 5.506) 12.859 15.847 ( -0.000 -4.806 -16.657) 17.336 16.319 ( -0.000 -3.305 -14.267) 14.645 16.882 ( -0.000 -4.856 25.060) 25.526 18.810 ( 0.000 1.357 -27.337) 27.371 25.947 ( 0.000 8.505 4.674) 9.705 26.548 ( -0.000 -0.412 -13.287) 13.294 28.508 ( -0.000 -1.618 2.784) 3.220 28.776 ( -0.000 -2.084 -5.511) 5.892 29.724 ( -0.000 -8.212 19.161) 20.846 30.413 ( 0.000 0.498 -6.466) 6.486 ======================= Grid point 344 (109/155) ======================= q-point: ( 0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 15.719 -0.000 1.767) 15.818 1.466 ( 1.420 -0.000 11.744) 11.830 1.733 ( 2.361 -0.000 -6.951) 7.341 1.894 ( -3.938 0.000 11.890) 12.525 2.616 ( -0.305 0.000 -4.269) 4.279 2.669 ( 0.472 -0.000 -0.709) 0.851 2.890 ( 4.258 -0.000 5.659) 7.083 2.891 ( 5.836 -0.000 2.823) 6.483 3.206 ( -5.911 0.000 -0.488) 5.931 3.254 ( -0.675 0.000 7.905) 7.933 3.800 ( -10.506 0.000 -2.922) 10.905 4.222 ( -1.728 0.000 8.885) 9.052 4.274 ( -15.077 0.000 -5.772) 16.145 4.381 ( -3.208 0.000 5.593) 6.447 4.788 ( 3.078 -0.000 -2.222) 3.797 4.789 ( -4.204 0.000 -2.093) 4.696 5.075 ( 7.970 -0.000 -1.869) 8.186 5.143 ( 3.379 -0.000 -7.072) 7.838 6.332 ( -2.735 0.000 56.759) 56.825 7.562 ( -1.039 0.000 9.060) 9.120 7.846 ( -1.023 0.000 -8.668) 8.728 8.460 ( 9.361 -0.000 3.423) 9.967 8.513 ( -5.012 0.000 -13.483) 14.384 8.969 ( 10.035 -0.000 14.265) 17.441 9.237 ( 7.917 -0.000 -15.462) 17.372 10.207 ( -4.413 0.000 -12.684) 13.430 10.699 ( 1.521 -0.000 48.154) 48.178 11.477 ( -2.575 0.000 19.570) 19.739 11.874 ( -0.657 0.000 14.200) 14.215 12.208 ( -0.600 0.000 6.420) 6.448 12.461 ( -6.077 0.000 7.753) 9.851 12.776 ( -7.516 0.000 -1.039) 7.588 12.885 ( 6.426 -0.000 -4.714) 7.970 13.022 ( -3.990 0.000 5.795) 7.035 13.789 ( 2.982 -0.000 -8.535) 9.041 13.873 ( 0.360 -0.000 -18.610) 18.613 14.705 ( -3.758 0.000 7.283) 8.195 15.574 ( -9.284 0.000 10.177) 13.775 15.972 ( 1.699 -0.000 -20.843) 20.912 16.352 ( -1.958 0.000 -11.246) 11.415 17.011 ( -1.909 0.000 19.900) 19.992 18.761 ( -0.047 0.000 -26.597) 26.597 25.705 ( -0.114 0.000 11.134) 11.135 26.508 ( -3.248 0.000 -14.174) 14.541 28.536 ( -0.451 0.000 3.519) 3.548 29.077 ( 15.570 -0.000 -13.327) 20.495 29.914 ( -2.725 0.000 10.987) 11.319 30.358 ( -0.323 0.000 -1.500) 1.535 ======================= Grid point 345 (110/155) ======================= q-point: ( 0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 14.122 -1.211 1.842) 14.293 1.483 ( 3.768 -0.722 12.447) 13.024 1.739 ( 1.865 -0.097 -6.073) 6.353 1.911 ( -5.452 -3.603 9.357) 11.412 2.540 ( 0.016 6.374 -1.338) 6.513 2.651 ( -1.192 3.775 0.673) 4.016 2.805 ( -1.068 6.252 0.027) 6.342 2.933 ( 5.918 2.234 1.031) 6.409 3.188 ( -0.965 -4.045 0.529) 4.192 3.374 ( 0.499 -6.917 1.845) 7.176 3.770 ( -9.453 -4.586 -0.189) 10.508 3.970 ( -9.649 11.395 1.135) 14.975 4.322 ( -5.691 -2.049 3.191) 6.838 4.422 ( -0.819 -7.533 7.947) 10.981 4.735 ( 3.433 2.516 -3.775) 5.690 4.859 ( -1.182 -4.019 0.258) 4.197 5.033 ( 1.955 5.652 -3.475) 6.917 5.235 ( 7.999 -3.682 -7.852) 11.798 6.319 ( -1.845 -0.219 58.873) 58.903 7.722 ( -0.059 -15.376 7.619) 17.160 7.872 ( -3.542 -4.926 -6.503) 8.894 8.354 ( 0.713 6.713 -1.708) 6.964 8.579 ( -3.112 -2.622 -1.523) 4.345 9.252 ( 9.732 -10.592 -4.760) 15.151 9.384 ( 10.894 -18.895 -3.064) 22.025 10.187 ( -5.671 -1.860 -7.989) 9.972 10.751 ( 1.672 -4.249 44.967) 45.199 11.463 ( -1.860 -0.452 16.574) 16.684 11.955 ( -0.587 -8.516 12.411) 15.064 12.151 ( -1.101 5.862 5.638) 8.207 12.355 ( -4.653 4.540 8.351) 10.583 12.723 ( -4.467 1.648 -1.163) 4.901 12.916 ( 0.150 0.773 0.674) 1.036 13.025 ( -0.984 -3.182 1.404) 3.615 13.724 ( 3.062 5.924 -11.805) 13.558 13.963 ( -0.124 -5.569 -12.759) 13.922 14.628 ( -3.933 4.827 10.552) 12.252 15.489 ( -8.239 2.742 10.531) 13.650 15.963 ( 2.934 2.823 -19.154) 19.582 16.303 ( -3.669 3.089 -10.940) 11.945 16.966 ( -0.198 3.290 18.159) 18.456 18.777 ( -0.029 -1.504 -27.426) 27.468 25.760 ( -1.069 -5.576 9.659) 11.204 26.493 ( -2.443 -0.656 -13.430) 13.666 28.525 ( -0.370 0.802 3.682) 3.787 29.138 ( 14.638 4.638 -15.007) 21.471 29.828 ( -3.041 6.349 13.290) 15.039 30.375 ( -0.616 -1.650 -3.259) 3.704 ======================= Grid point 346 (111/155) ======================= q-point: ( 0.40 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 10.939 -1.949 5.722) 12.498 1.538 ( 3.659 -1.960 10.683) 11.461 1.774 ( 1.473 -2.677 -6.044) 6.772 1.939 ( -6.430 -4.018 6.433) 9.944 2.404 ( 0.889 8.219 2.490) 8.634 2.530 ( -3.471 5.691 1.144) 6.763 2.712 ( -1.622 3.928 -7.270) 8.420 2.881 ( 3.772 6.833 -3.203) 8.436 3.267 ( -2.370 -3.969 -0.453) 4.645 3.441 ( 0.191 -0.378 -4.498) 4.518 3.713 ( -9.803 4.664 3.712) 11.474 3.876 ( 0.825 -3.905 -0.428) 4.014 4.341 ( 0.248 -2.554 9.209) 9.560 4.558 ( 3.192 -5.305 5.656) 8.386 4.736 ( 5.763 0.774 -0.640) 5.850 4.909 ( -0.962 -0.086 1.173) 1.520 4.968 ( -0.868 -0.764 -0.506) 1.263 5.331 ( 7.383 -0.730 -9.245) 11.854 6.313 ( -1.081 -0.209 60.114) 60.124 7.828 ( -2.811 0.072 0.319) 2.830 8.170 ( -5.771 -21.966 1.889) 22.790 8.278 ( 1.852 -0.857 1.447) 2.502 8.586 ( -5.762 -2.901 -0.218) 6.455 9.401 ( 6.205 -4.954 -9.058) 12.045 9.977 ( 8.014 -28.398 -0.420) 29.510 10.246 ( -4.959 -11.603 -0.454) 12.627 10.855 ( 1.069 -5.264 38.308) 38.682 11.477 ( 0.378 -1.461 14.414) 14.493 11.998 ( -1.675 7.578 1.948) 8.002 12.086 ( -1.892 -3.527 8.796) 9.664 12.390 ( 1.328 -12.169 9.413) 15.442 12.649 ( -2.452 3.851 -1.101) 4.696 12.843 ( -3.873 4.946 3.419) 7.152 13.127 ( 3.995 -6.055 -4.076) 8.321 13.614 ( -1.309 6.986 -7.768) 10.529 14.046 ( -0.236 -3.657 -9.394) 10.083 14.508 ( -2.736 5.423 13.244) 14.570 15.363 ( -5.339 6.657 8.441) 12.003 15.888 ( 3.087 7.785 -11.723) 14.407 16.224 ( -4.424 1.797 -14.647) 15.406 16.907 ( 1.278 3.359 16.916) 17.294 18.806 ( 0.032 -1.511 -28.165) 28.205 25.863 ( -2.402 -6.354 7.986) 10.485 26.504 ( -1.072 -1.890 -12.825) 13.008 28.505 ( -0.075 1.133 3.432) 3.615 29.098 ( 10.716 8.772 -15.160) 20.533 29.680 ( -2.559 7.032 18.145) 19.628 30.393 ( -0.679 -0.673 -5.788) 5.867 ======================= Grid point 347 (112/155) ======================= q-point: ( 0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 5.578 -2.802 10.565) 12.271 1.592 ( 2.865 -1.810 6.035) 6.921 1.863 ( 1.554 -5.887 -6.620) 8.995 1.968 ( -4.500 -2.721 3.210) 6.161 2.280 ( 0.851 5.528 2.775) 6.244 2.424 ( -3.782 3.276 -1.181) 5.141 2.616 ( -1.498 5.437 -9.308) 10.883 2.764 ( 1.342 6.792 -7.003) 9.847 3.265 ( -3.823 1.499 1.650) 4.425 3.430 ( 2.308 1.298 -4.373) 5.113 3.623 ( -5.764 0.360 0.930) 5.849 3.906 ( 3.107 3.040 -3.069) 5.322 4.394 ( 2.350 -1.442 10.206) 10.572 4.650 ( 6.994 -0.682 5.615) 8.996 4.769 ( 3.328 -0.536 4.235) 5.413 4.859 ( -0.116 2.986 2.669) 4.007 5.032 ( -2.186 -4.870 2.284) 5.807 5.358 ( 4.723 1.846 -9.530) 10.795 6.315 ( -0.549 -0.635 60.375) 60.380 7.790 ( -3.435 0.987 1.674) 3.947 8.240 ( -0.801 -1.935 7.243) 7.540 8.436 ( -3.388 -1.568 3.135) 4.875 8.785 ( -4.874 -22.652 -7.855) 24.466 9.539 ( 3.345 -6.558 -9.243) 11.817 10.308 ( -1.067 -12.764 12.400) 17.828 10.654 ( 3.282 -23.471 1.807) 23.768 10.925 ( -1.562 -2.367 29.404) 29.541 11.506 ( 1.260 -0.644 14.610) 14.679 11.922 ( 1.298 -0.510 -7.416) 7.546 12.134 ( -1.070 -5.055 10.757) 11.933 12.502 ( 0.064 6.827 -3.878) 7.852 12.665 ( -4.418 2.073 2.321) 5.404 12.824 ( 3.348 -17.206 7.921) 19.235 13.257 ( 5.543 -2.142 -2.415) 6.414 13.488 ( -5.371 1.088 -1.362) 5.646 14.085 ( -0.632 -0.395 -8.690) 8.722 14.404 ( -1.418 3.964 14.214) 14.824 15.148 ( -2.714 14.402 5.973) 15.826 15.754 ( 1.214 7.055 -4.622) 8.521 16.181 ( -2.858 0.773 -21.262) 21.467 16.862 ( 1.348 2.527 17.698) 17.928 18.829 ( 0.091 -0.928 -28.117) 28.132 25.949 ( -2.316 -4.746 7.702) 9.338 26.543 ( -0.174 -2.496 -12.671) 12.916 28.486 ( 0.177 1.031 2.821) 3.009 28.975 ( 5.592 9.819 -12.851) 17.113 29.556 ( -1.399 4.954 21.242) 21.856 30.391 ( -0.390 0.391 -7.714) 7.734 ======================= Grid point 348 (113/155) ======================= q-point: ( 0.60 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -1.525 0.038 10.759) 10.866 1.652 ( 3.783 -2.106 2.718) 5.112 1.947 ( 0.097 -1.021 2.227) 2.452 2.004 ( -0.168 -3.096 -8.036) 8.613 2.239 ( 1.240 -1.935 0.922) 2.476 2.344 ( -3.609 4.154 -5.746) 7.956 2.512 ( -2.466 3.099 -7.170) 8.190 2.689 ( 1.266 1.836 -8.611) 8.895 3.210 ( -0.430 2.277 3.379) 4.097 3.435 ( 3.958 0.595 -3.505) 5.320 3.586 ( -6.149 -0.481 -0.281) 6.174 3.821 ( 3.209 7.708 -4.383) 9.430 4.402 ( -0.321 1.454 7.373) 7.521 4.657 ( 3.006 2.670 6.862) 7.953 4.743 ( 1.761 4.945 4.138) 6.685 4.870 ( -0.324 -3.404 8.507) 9.169 5.089 ( 1.349 -1.631 3.075) 3.733 5.331 ( 1.231 3.368 -9.780) 10.416 6.329 ( -0.211 -0.994 60.091) 60.100 7.768 ( -1.602 -0.804 1.782) 2.528 8.291 ( -0.672 -3.405 11.071) 11.602 8.420 ( -1.658 -0.721 5.356) 5.653 9.125 ( -2.453 -15.497 -13.604) 20.766 9.667 ( 1.239 -5.056 -12.465) 13.509 10.540 ( 0.185 -12.331 21.561) 24.839 10.804 ( 0.409 6.595 30.375) 31.085 11.084 ( -1.202 -14.643 1.398) 14.759 11.517 ( 1.368 0.528 11.822) 11.913 12.002 ( 1.788 -5.180 -15.354) 16.302 12.241 ( 2.025 -1.936 4.796) 5.554 12.369 ( -4.414 3.750 -2.712) 6.395 12.562 ( -1.206 1.660 7.107) 7.397 13.101 ( 6.274 4.460 8.823) 11.709 13.319 ( -3.451 -14.635 9.104) 17.578 13.608 ( 1.485 -13.774 -4.108) 14.450 14.011 ( -2.591 8.534 -9.679) 13.161 14.385 ( 0.603 -3.524 14.171) 14.615 14.816 ( -1.615 19.074 5.615) 19.949 15.671 ( 0.989 2.779 -5.851) 6.552 16.149 ( -2.060 0.897 -24.501) 24.604 16.834 ( 0.880 1.427 19.749) 19.820 18.841 ( 0.055 -0.368 -27.622) 27.624 26.011 ( -1.085 -3.385 7.779) 8.553 26.583 ( 0.080 -1.639 -12.635) 12.741 28.470 ( 0.138 0.809 2.269) 2.413 28.839 ( 1.797 7.165 -9.218) 11.813 29.483 ( -0.458 2.350 22.004) 22.134 30.380 ( -0.125 0.512 -8.933) 8.948 ======================= Grid point 349 (114/155) ======================= q-point: (-0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -2.581 4.211 11.439) 12.460 1.676 ( 1.513 2.494 0.896) 3.052 1.970 ( 0.721 -1.149 -1.361) 1.921 2.038 ( 0.661 -2.446 -3.725) 4.505 2.199 ( -1.992 6.451 -5.680) 8.823 2.377 ( 0.913 -8.521 -5.896) 10.402 2.496 ( -1.600 -2.013 -6.047) 6.571 2.708 ( 1.384 -2.640 -8.513) 9.020 3.166 ( -0.393 2.978 3.701) 4.766 3.445 ( 4.071 1.410 -2.306) 4.887 3.594 ( -3.929 -4.168 -2.484) 6.243 3.703 ( 0.423 4.418 -2.466) 5.078 4.363 ( -1.337 1.268 5.667) 5.959 4.594 ( -0.082 5.676 9.393) 10.975 4.694 ( 0.734 0.227 1.560) 1.739 4.897 ( -0.810 0.736 9.867) 9.927 5.120 ( 4.618 0.092 3.527) 5.812 5.250 ( -3.030 4.663 -10.040) 11.477 6.340 ( -0.051 -0.222 59.740) 59.740 7.800 ( 0.071 -3.074 1.346) 3.357 8.327 ( -0.732 -0.948 13.332) 13.386 8.468 ( 0.749 -4.249 6.974) 8.201 9.311 ( -0.205 -6.127 -15.634) 16.793 9.701 ( 0.243 3.301 -14.265) 14.644 10.624 ( -0.496 10.387 28.219) 30.074 10.744 ( -0.088 -8.728 27.621) 28.967 11.281 ( 0.183 -7.337 3.540) 8.149 11.477 ( 0.921 5.948 5.549) 8.187 12.045 ( 0.124 3.410 -19.779) 20.071 12.214 ( 3.736 1.955 2.239) 4.775 12.287 ( -6.732 0.891 1.757) 7.014 12.674 ( 2.217 -9.898 7.496) 12.612 12.963 ( 0.320 9.073 15.544) 18.001 13.507 ( 0.147 -5.620 9.967) 11.443 13.729 ( -1.749 19.610 -6.362) 20.690 13.949 ( 1.516 -17.922 -5.393) 18.777 14.496 ( -0.630 13.320 5.226) 14.322 14.557 ( 0.353 -14.489 11.720) 18.639 15.660 ( 0.922 -0.577 -10.111) 10.170 16.132 ( -1.260 -0.682 -24.209) 24.251 16.819 ( 0.366 0.705 21.439) 21.454 18.844 ( 0.004 0.082 -27.260) 27.260 26.061 ( 0.024 -2.431 7.010) 7.419 26.597 ( 0.047 0.132 -12.444) 12.445 28.459 ( -0.029 0.391 2.204) 2.238 28.751 ( 0.027 3.119 -6.570) 7.273 29.464 ( -0.061 -0.488 21.988) 21.994 30.376 ( 0.000 -0.218 -9.477) 9.480 ======================= Grid point 350 (115/155) ======================= q-point: (-0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 0.000 5.909 11.650) 13.063 1.592 ( 0.000 6.302 4.094) 7.515 1.928 ( 0.000 5.762 -10.061) 11.595 2.119 ( -0.000 -4.604 -3.613) 5.852 2.163 ( -0.000 -3.603 0.514) 3.639 2.528 ( -0.000 -7.424 -5.025) 8.964 2.543 ( -0.000 -3.523 -7.160) 7.980 2.787 ( -0.000 -4.635 -7.091) 8.472 3.088 ( 0.000 4.480 4.045) 6.036 3.450 ( -0.000 -0.279 -2.621) 2.635 3.581 ( 0.000 0.600 -0.102) 0.609 3.807 ( -0.000 -12.580 -5.452) 13.710 4.337 ( 0.000 2.193 9.082) 9.343 4.491 ( 0.000 4.140 8.541) 9.492 4.717 ( -0.000 -1.581 -1.199) 1.984 4.842 ( 0.000 4.241 9.606) 10.500 5.138 ( 0.000 0.939 5.600) 5.678 5.143 ( 0.000 3.974 -12.344) 12.968 6.337 ( 0.000 0.361 59.513) 59.515 7.868 ( -0.000 -3.863 0.958) 3.980 8.320 ( 0.000 1.443 13.116) 13.195 8.554 ( -0.000 -4.272 7.379) 8.526 9.357 ( 0.000 0.860 -16.534) 16.556 9.502 ( 0.000 18.776 -7.711) 20.298 10.434 ( 0.000 10.132 17.551) 20.266 10.862 ( -0.000 -3.601 34.147) 34.336 11.254 ( 0.000 19.313 -4.837) 19.910 11.376 ( -0.000 -3.258 7.480) 8.159 11.972 ( 0.000 2.153 -10.960) 11.170 12.153 ( 0.000 2.751 9.089) 9.496 12.335 ( -0.000 -4.137 -1.039) 4.266 12.815 ( 0.000 5.881 9.425) 11.109 12.856 ( -0.000 -8.187 2.733) 8.631 13.309 ( 0.000 23.555 -1.566) 23.607 13.578 ( -0.000 -2.505 9.048) 9.388 14.187 ( -0.000 -7.017 -6.944) 9.872 14.347 ( 0.000 2.767 6.219) 6.807 14.892 ( -0.000 -20.399 9.714) 22.594 15.695 ( -0.000 -2.794 -12.874) 13.174 16.167 ( -0.000 -3.503 -21.345) 21.631 16.812 ( 0.000 0.082 22.462) 22.462 18.839 ( 0.000 0.410 -27.315) 27.318 26.091 ( -0.000 -0.471 5.226) 5.247 26.581 ( 0.000 1.531 -12.118) 12.215 28.460 ( -0.000 -0.569 2.478) 2.543 28.723 ( 0.000 0.022 -5.405) 5.405 29.500 ( -0.000 -3.459 21.825) 22.098 30.388 ( -0.000 -1.008 -9.355) 9.410 ======================= Grid point 355 (116/155) ======================= q-point: ( 0.30 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 14.750 -0.000 -0.056) 14.750 1.498 ( 3.226 -0.000 10.327) 10.819 1.756 ( 1.080 -0.000 -5.559) 5.663 1.851 ( -2.407 0.000 11.783) 12.026 2.608 ( -0.867 0.000 -7.207) 7.259 2.650 ( -2.634 0.000 0.841) 2.765 2.940 ( 3.034 -0.000 7.631) 8.212 2.995 ( 8.469 -0.000 -0.926) 8.520 3.127 ( -5.638 0.000 0.604) 5.670 3.250 ( 0.631 -0.000 8.629) 8.653 3.668 ( -9.565 0.000 -4.530) 10.584 4.031 ( -19.389 0.000 -5.975) 20.289 4.204 ( -0.633 0.000 7.861) 7.887 4.342 ( -2.686 0.000 10.066) 10.419 4.765 ( -0.234 0.000 -5.676) 5.681 4.830 ( 2.673 -0.000 -0.856) 2.807 5.157 ( 4.563 -0.000 -6.147) 7.656 5.188 ( 3.348 -0.000 -8.435) 9.075 6.303 ( -1.654 0.000 59.506) 59.529 7.565 ( 1.098 -0.000 8.028) 8.103 7.837 ( -0.237 0.000 -8.129) 8.132 8.448 ( -4.652 0.000 -13.704) 14.473 8.527 ( 1.652 -0.000 3.004) 3.428 9.139 ( 14.089 -0.000 15.114) 20.662 9.349 ( 8.751 -0.000 -11.065) 14.108 10.139 ( -5.597 0.000 -10.882) 12.236 10.718 ( 1.225 -0.000 47.175) 47.190 11.441 ( -2.834 0.000 14.991) 15.257 11.864 ( -0.869 0.000 14.586) 14.612 12.206 ( 0.428 -0.000 7.725) 7.737 12.382 ( -5.665 0.000 7.858) 9.687 12.681 ( -6.567 0.000 -3.094) 7.260 12.948 ( -6.579 0.000 11.559) 13.300 12.962 ( 5.048 -0.000 -4.278) 6.617 13.852 ( 6.314 -0.000 -9.050) 11.035 13.878 ( 0.346 -0.000 -18.994) 18.997 14.640 ( -5.953 0.000 12.324) 13.687 15.454 ( -8.191 0.000 12.081) 14.596 16.002 ( 2.896 -0.000 -20.188) 20.395 16.317 ( -3.331 0.000 -11.946) 12.402 16.994 ( -0.614 0.000 16.556) 16.567 18.762 ( 0.127 -0.000 -27.287) 27.288 25.704 ( -0.100 0.000 10.903) 10.903 26.470 ( -2.405 0.000 -13.439) 13.653 28.530 ( -0.462 0.000 4.140) 4.166 29.285 ( 15.169 -0.000 -17.607) 23.240 29.866 ( -4.581 0.000 9.976) 10.978 30.353 ( -0.330 0.000 -1.700) 1.732 ======================= Grid point 356 (117/155) ======================= q-point: ( 0.40 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 12.149 0.258 0.951) 12.189 1.527 ( 2.551 -1.026 10.868) 11.210 1.761 ( 1.288 -0.348 -4.867) 5.047 1.853 ( -3.119 -1.549 9.653) 10.262 2.531 ( -1.094 4.963 -2.688) 5.749 2.646 ( 0.710 4.016 0.347) 4.093 2.778 ( -2.832 8.733 2.043) 9.406 3.025 ( 7.214 4.152 -1.245) 8.416 3.147 ( -4.175 -5.371 0.476) 6.819 3.392 ( 1.338 -6.313 -0.130) 6.454 3.636 ( -10.645 -3.863 2.443) 11.585 3.849 ( -7.394 3.191 -3.042) 8.608 4.281 ( -0.275 -4.784 4.998) 6.924 4.403 ( -2.260 -8.725 10.864) 14.116 4.774 ( 2.346 -0.610 -5.382) 5.902 4.854 ( 0.130 -1.325 0.235) 1.352 5.055 ( 1.279 6.579 -5.272) 8.527 5.327 ( 5.529 -5.180 -9.933) 12.493 6.299 ( -1.154 -0.456 60.493) 60.506 7.723 ( 0.181 -15.464 6.538) 16.790 7.839 ( -1.588 -0.959 -6.139) 6.413 8.349 ( -0.885 5.160 -5.366) 7.497 8.539 ( -2.828 -0.146 1.059) 3.023 9.380 ( 9.087 -4.450 -4.704) 11.158 9.519 ( 8.591 -21.806 3.492) 23.696 10.112 ( -5.267 -1.730 -6.531) 8.567 10.768 ( 0.946 -4.341 43.495) 43.721 11.440 ( -1.578 -1.788 13.094) 13.310 11.945 ( -0.908 -8.257 13.255) 15.643 12.144 ( 0.136 7.093 5.652) 9.071 12.301 ( -3.555 1.912 9.132) 9.984 12.664 ( -4.097 -0.699 -2.808) 5.016 12.877 ( -4.653 2.324 9.805) 11.099 13.044 ( 2.742 -4.757 -2.730) 6.132 13.761 ( 2.202 7.933 -14.255) 16.461 13.980 ( 2.734 -4.343 -12.786) 13.778 14.565 ( -5.351 3.453 15.969) 17.192 15.392 ( -5.947 1.663 11.018) 12.631 16.012 ( 4.415 2.042 -18.577) 19.203 16.246 ( -4.963 4.194 -11.464) 13.178 16.968 ( 0.393 2.355 15.339) 15.524 18.778 ( 0.120 -1.445 -27.909) 27.946 25.748 ( -0.726 -4.538 9.930) 10.942 26.467 ( -1.509 -1.196 -13.128) 13.268 28.521 ( -0.300 0.652 4.175) 4.236 29.321 ( 12.570 6.333 -19.559) 24.097 29.777 ( -4.595 5.480 13.558) 15.328 30.367 ( -0.501 -1.436 -3.135) 3.485 ======================= Grid point 357 (118/155) ======================= q-point: ( 0.50 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 7.898 0.387 9.039) 12.010 1.567 ( 0.871 -2.156 6.368) 6.779 1.794 ( 1.394 -2.608 -5.222) 6.001 1.874 ( -3.319 -3.390 7.381) 8.774 2.423 ( 1.885 7.733 2.109) 8.234 2.490 ( -2.694 7.328 2.614) 8.233 2.693 ( -1.159 3.102 -8.740) 9.346 2.927 ( 2.774 9.241 -4.844) 10.796 3.214 ( -4.260 -3.686 0.720) 5.679 3.440 ( -0.225 -1.300 -5.860) 6.007 3.599 ( -6.833 0.902 4.253) 8.099 3.893 ( 1.205 -5.434 -1.091) 5.672 4.376 ( 4.303 -3.446 10.492) 11.853 4.568 ( -1.470 -9.852 5.809) 11.531 4.806 ( 4.481 0.741 1.035) 4.658 4.890 ( -1.120 -3.283 -1.057) 3.626 4.966 ( -0.079 3.335 -1.417) 3.624 5.409 ( 4.153 -0.159 -9.932) 10.767 6.301 ( -0.662 -0.470 60.873) 60.878 7.797 ( -1.738 1.716 -1.270) 2.753 8.101 ( -3.991 -18.849 3.430) 19.570 8.321 ( 4.166 -4.558 -1.370) 6.326 8.508 ( -5.840 -0.845 0.292) 5.908 9.470 ( 4.042 -3.202 -6.292) 8.135 10.040 ( 1.289 -20.860 3.433) 21.180 10.214 ( 0.410 -18.064 -1.034) 18.098 10.863 ( 0.219 -4.612 36.849) 37.137 11.481 ( 0.202 -2.661 14.016) 14.267 11.990 ( 0.396 6.564 0.817) 6.626 12.058 ( -2.201 -2.648 10.430) 10.984 12.405 ( 0.835 -15.208 9.114) 17.750 12.623 ( -1.305 3.519 -4.139) 5.587 12.790 ( -3.563 4.080 8.542) 10.115 13.177 ( 3.080 -7.707 -4.136) 9.273 13.593 ( -1.589 10.400 -9.774) 14.360 14.060 ( 1.863 -2.606 -12.157) 12.572 14.465 ( -3.189 4.026 18.802) 19.491 15.305 ( -3.149 5.312 8.250) 10.305 15.934 ( 3.582 9.900 -8.015) 13.232 16.164 ( -4.233 0.181 -18.039) 18.530 16.922 ( 0.888 2.991 15.036) 15.356 18.807 ( 0.089 -1.512 -28.415) 28.455 25.839 ( -1.299 -5.666 8.750) 10.505 26.494 ( -0.537 -2.432 -12.892) 13.130 28.505 ( -0.039 0.940 3.643) 3.762 29.219 ( 7.177 11.479 -19.731) 23.929 29.643 ( -2.675 5.794 19.871) 20.870 30.386 ( -0.421 -0.744 -5.490) 5.556 ======================= Grid point 358 (119/155) ======================= q-point: ( 0.60 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 1.733 0.702 13.650) 13.778 1.622 ( 1.359 -2.920 2.780) 4.255 1.885 ( 1.668 -6.041 -6.555) 9.069 1.922 ( -2.425 -3.492 4.102) 5.908 2.296 ( 1.110 6.172 4.098) 7.491 2.384 ( -2.046 3.357 -1.864) 4.351 2.601 ( -0.634 6.112 -10.330) 12.020 2.776 ( 0.513 7.197 -7.677) 10.535 3.222 ( -2.017 -0.181 2.576) 3.277 3.469 ( 3.491 -0.346 -4.539) 5.737 3.546 ( -5.244 0.599 1.687) 5.541 3.939 ( 1.476 2.058 -3.591) 4.394 4.427 ( 1.754 0.297 10.243) 10.396 4.728 ( 4.702 -3.851 5.882) 8.458 4.782 ( -1.669 0.595 5.822) 6.086 4.864 ( 0.817 5.492 2.239) 5.986 5.006 ( -1.300 -6.258 0.752) 6.436 5.402 ( 1.763 2.575 -9.582) 10.078 6.310 ( -0.222 -0.807 60.690) 60.695 7.757 ( -1.328 0.895 1.195) 1.998 8.229 ( -0.606 -3.357 8.177) 8.860 8.410 ( -0.722 1.052 2.554) 2.855 8.738 ( -1.975 -24.031 -9.584) 25.947 9.568 ( 1.111 -5.623 -8.311) 10.096 10.291 ( -0.897 -13.564 13.357) 19.058 10.698 ( 2.412 -24.601 -0.401) 24.722 10.904 ( -1.185 0.558 31.934) 31.961 11.516 ( 0.389 -0.841 15.522) 15.550 11.941 ( 1.100 -1.240 -10.092) 10.227 12.119 ( -0.923 -6.525 13.961) 15.438 12.504 ( 0.231 8.268 -8.809) 12.084 12.620 ( -2.009 2.786 3.755) 5.089 12.857 ( 1.392 -21.358 11.222) 24.167 13.331 ( 5.631 2.252 -2.372) 6.512 13.413 ( -5.797 -2.023 -2.790) 6.745 14.085 ( 0.258 1.256 -12.438) 12.504 14.387 ( -0.909 2.552 19.276) 19.465 15.122 ( -1.073 13.805 5.116) 14.761 15.769 ( 0.782 7.842 -1.696) 8.062 16.150 ( -1.372 0.192 -23.303) 23.344 16.875 ( 0.554 2.560 16.557) 16.763 18.830 ( 0.049 -0.922 -28.225) 28.240 25.928 ( -0.818 -4.830 8.322) 9.657 26.541 ( -0.055 -2.725 -12.812) 13.099 28.487 ( 0.070 0.951 2.822) 2.979 29.029 ( 2.190 11.733 -14.996) 19.167 29.541 ( -0.692 4.238 22.087) 22.501 30.388 ( -0.149 0.271 -7.540) 7.546 ======================= Grid point 359 (120/155) ======================= q-point: ( 0.70 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 0.000 1.714 11.707) 11.832 1.679 ( -0.000 -2.271 1.818) 2.909 1.949 ( -0.000 -1.224 3.912) 4.099 2.003 ( -0.000 -3.426 -9.123) 9.745 2.252 ( -0.000 -2.807 1.091) 3.012 2.315 ( 0.000 4.819 -5.571) 7.366 2.496 ( 0.000 3.499 -7.831) 8.577 2.698 ( 0.000 1.581 -8.820) 8.961 3.207 ( 0.000 1.251 3.681) 3.887 3.488 ( 0.000 1.151 -4.267) 4.420 3.515 ( -0.000 -1.334 1.019) 1.679 3.845 ( 0.000 8.038 -4.396) 9.161 4.399 ( 0.000 2.669 7.013) 7.504 4.678 ( 0.000 4.224 6.855) 8.052 4.757 ( 0.000 5.637 4.115) 6.979 4.866 ( -0.000 -4.020 9.199) 10.039 5.097 ( -0.000 -3.626 3.466) 5.016 5.340 ( 0.000 4.862 -10.857) 11.896 6.327 ( -0.000 -1.052 60.194) 60.203 7.757 ( -0.000 -1.383 1.871) 2.327 8.286 ( -0.000 -2.892 11.646) 11.999 8.409 ( -0.000 -1.863 4.831) 5.177 9.109 ( -0.000 -15.983 -14.156) 21.351 9.675 ( -0.000 -4.827 -12.368) 13.277 10.540 ( -0.000 -13.022 21.569) 25.195 10.807 ( 0.000 8.436 31.035) 32.161 11.076 ( -0.000 -15.403 1.113) 15.443 11.526 ( 0.000 0.135 11.947) 11.948 12.015 ( -0.000 -4.952 -15.418) 16.193 12.258 ( -0.000 -5.513 11.662) 12.900 12.335 ( 0.000 9.091 -11.169) 14.402 12.554 ( -0.000 -0.442 8.349) 8.360 13.153 ( 0.000 10.902 9.554) 14.496 13.286 ( -0.000 -19.886 8.807) 21.749 13.619 ( -0.000 -15.557 -3.919) 16.043 13.993 ( 0.000 9.434 -10.838) 14.369 14.389 ( -0.000 -4.021 15.676) 16.183 14.805 ( 0.000 19.033 4.883) 19.649 15.679 ( 0.000 2.627 -4.989) 5.639 16.133 ( 0.000 0.922 -24.777) 24.795 16.840 ( 0.000 1.501 19.169) 19.228 18.842 ( -0.000 -0.350 -27.648) 27.650 26.004 ( -0.000 -3.707 7.989) 8.807 26.583 ( -0.000 -1.670 -12.697) 12.806 28.471 ( 0.000 0.852 2.241) 2.397 28.852 ( 0.000 7.896 -9.699) 12.507 29.480 ( 0.000 2.157 22.180) 22.284 30.379 ( 0.000 0.460 -8.888) 8.899 ======================= Grid point 367 (121/155) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 9.392 -0.000 -1.821) 9.567 1.541 ( 2.873 -0.000 10.783) 11.160 1.762 ( 0.025 -0.000 -5.849) 5.849 1.831 ( -0.784 0.000 10.845) 10.873 2.595 ( -0.973 0.000 -8.022) 8.081 2.616 ( -2.134 0.000 0.091) 2.136 2.964 ( 0.639 -0.000 8.680) 8.704 3.067 ( -3.193 0.000 1.977) 3.756 3.077 ( 3.255 -0.000 1.381) 3.536 3.296 ( 6.749 -0.000 4.062) 7.877 3.543 ( -9.517 0.000 -2.987) 9.975 3.813 ( -12.257 0.000 -6.428) 13.840 4.206 ( 0.763 -0.000 5.518) 5.570 4.312 ( -1.673 0.000 12.171) 12.286 4.768 ( 0.417 -0.000 -7.819) 7.830 4.852 ( 0.647 -0.000 0.337) 0.729 5.199 ( 1.930 -0.000 -9.434) 9.630 5.225 ( 2.113 -0.000 -9.058) 9.301 6.288 ( -0.703 0.000 60.965) 60.969 7.582 ( 1.203 -0.000 7.504) 7.600 7.838 ( 0.332 -0.000 -7.246) 7.254 8.397 ( -2.886 0.000 -14.020) 14.314 8.530 ( -0.497 0.000 3.129) 3.168 9.301 ( 9.265 -0.000 15.978) 18.469 9.455 ( 6.538 -0.000 -7.524) 9.968 10.068 ( -4.633 0.000 -9.496) 10.566 10.730 ( 0.533 -0.000 46.163) 46.166 11.408 ( -1.898 0.000 11.158) 11.319 11.853 ( -0.645 0.000 15.066) 15.079 12.221 ( 1.907 -0.000 8.559) 8.769 12.313 ( -4.737 0.000 8.363) 9.611 12.610 ( -3.992 0.000 -5.166) 6.528 12.870 ( -4.559 0.000 16.651) 17.264 13.014 ( 2.745 -0.000 -4.123) 4.953 13.881 ( 0.210 -0.000 -19.302) 19.303 13.939 ( 6.047 -0.000 -11.668) 13.142 14.558 ( -5.688 0.000 18.605) 19.455 15.370 ( -4.405 0.000 11.295) 12.123 16.044 ( 3.100 -0.000 -19.281) 19.529 16.270 ( -3.455 0.000 -13.016) 13.467 16.991 ( 0.053 -0.000 14.559) 14.559 18.764 ( 0.162 -0.000 -27.736) 27.737 25.703 ( -0.055 0.000 10.719) 10.719 26.446 ( -1.194 0.000 -13.184) 13.238 28.525 ( -0.291 0.000 4.637) 4.646 29.465 ( 11.593 -0.000 -22.720) 25.507 29.795 ( -5.937 0.000 12.035) 13.420 30.349 ( -0.208 0.000 -1.867) 1.878 ======================= Grid point 368 (122/155) ======================= q-point: ( 0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 6.199 0.477 2.078) 6.556 1.543 ( -0.358 0.164 9.076) 9.084 1.771 ( 0.209 -0.994 -6.130) 6.214 1.829 ( -0.708 -0.319 10.585) 10.613 2.518 ( -0.606 3.850 -3.332) 5.127 2.669 ( 2.369 0.524 -3.227) 4.037 2.735 ( -3.216 12.552 6.022) 14.288 3.099 ( 0.725 -0.696 0.038) 1.006 3.106 ( 1.000 1.456 -0.056) 1.767 3.402 ( 0.440 -2.489 -5.186) 5.770 3.516 ( -5.987 -4.997 5.480) 9.531 3.787 ( -2.147 -4.317 -3.203) 5.788 4.305 ( 3.114 -7.937 5.345) 10.063 4.364 ( -3.375 -6.858 11.193) 13.554 4.797 ( 0.965 -2.739 -6.922) 7.506 4.855 ( -0.085 -0.098 1.502) 1.508 5.067 ( 0.479 7.034 -6.286) 9.445 5.377 ( 1.910 -6.186 -11.294) 13.018 6.289 ( -0.382 -0.442 61.257) 61.260 7.726 ( 0.130 -14.949 5.981) 16.101 7.826 ( -0.432 1.388 -5.472) 5.661 8.340 ( -0.334 2.894 -7.369) 7.923 8.510 ( -1.299 1.766 2.376) 3.233 9.475 ( 4.412 -0.140 -4.887) 6.585 9.594 ( 2.581 -22.893 8.118) 24.426 10.060 ( -2.189 -2.548 -6.031) 6.904 10.776 ( 0.232 -4.316 42.407) 42.627 11.425 ( -0.617 -2.706 11.130) 11.471 11.935 ( -0.452 -7.864 13.929) 16.002 12.151 ( 0.497 8.416 4.797) 9.700 12.265 ( -1.554 -0.597 10.289) 10.423 12.624 ( -1.654 -1.973 -4.437) 5.130 12.827 ( -2.167 2.047 14.117) 14.428 13.073 ( 1.239 -4.689 -3.276) 5.853 13.779 ( 0.570 9.081 -16.328) 18.692 14.020 ( 2.249 -3.225 -14.478) 15.002 14.504 ( -2.977 2.405 21.530) 21.868 15.339 ( -2.064 1.192 10.314) 10.586 16.074 ( 4.261 -0.246 -18.715) 19.195 16.179 ( -4.467 6.560 -11.493) 13.967 16.973 ( 0.241 1.945 14.047) 14.183 18.779 ( 0.078 -1.407 -28.157) 28.192 25.742 ( -0.249 -3.979 10.032) 10.795 26.453 ( -0.494 -1.464 -13.067) 13.158 28.518 ( -0.115 0.554 4.471) 4.507 29.453 ( 6.384 8.114 -26.813) 28.732 29.717 ( -3.616 4.073 18.714) 19.490 30.363 ( -0.191 -1.303 -3.048) 3.320 ======================= Grid point 369 (123/155) ======================= q-point: ( 0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 0.000 1.956 15.827) 15.948 1.570 ( -0.000 -2.847 -0.616) 2.913 1.806 ( -0.000 -2.977 -6.822) 7.443 1.851 ( -0.000 -2.812 9.264) 9.682 2.446 ( 0.000 4.064 -2.465) 4.753 2.462 ( 0.000 11.620 7.627) 13.900 2.685 ( 0.000 2.569 -9.303) 9.652 2.947 ( 0.000 10.449 -5.365) 11.746 3.182 ( -0.000 -3.487 1.436) 3.771 3.440 ( -0.000 -2.788 -6.691) 7.249 3.549 ( 0.000 0.229 4.862) 4.868 3.901 ( -0.000 -6.057 -1.350) 6.205 4.417 ( -0.000 -2.510 12.256) 12.510 4.547 ( -0.000 -12.771 4.166) 13.434 4.840 ( 0.000 2.086 3.617) 4.175 4.882 ( -0.000 -5.860 -3.579) 6.866 4.964 ( 0.000 4.828 -1.889) 5.184 5.437 ( 0.000 0.048 -10.198) 10.198 6.297 ( -0.000 -0.549 61.125) 61.127 7.785 ( 0.000 2.344 -1.925) 3.033 8.074 ( -0.000 -17.765 4.146) 18.242 8.362 ( -0.000 -9.088 -3.671) 9.801 8.455 ( 0.000 3.130 1.810) 3.615 9.499 ( -0.000 -2.213 -5.216) 5.666 10.041 ( -0.000 -17.046 4.474) 17.624 10.225 ( -0.000 -21.832 -0.975) 21.853 10.863 ( -0.000 -4.315 36.200) 36.457 11.482 ( -0.000 -3.069 14.122) 14.452 11.998 ( 0.000 6.761 -2.871) 7.345 12.039 ( -0.000 -3.008 14.202) 14.517 12.411 ( -0.000 -16.181 8.892) 18.463 12.615 ( 0.000 3.110 -6.096) 6.844 12.764 ( 0.000 3.766 11.241) 11.856 13.199 ( -0.000 -8.553 -3.795) 9.357 13.581 ( 0.000 12.009 -10.775) 16.134 14.076 ( -0.000 -2.042 -14.490) 14.633 14.440 ( 0.000 3.358 22.315) 22.566 15.284 ( 0.000 4.894 7.967) 9.350 15.964 ( 0.000 12.003 -4.464) 12.806 16.130 ( -0.000 -1.754 -21.593) 21.664 16.929 ( 0.000 2.870 14.449) 14.731 18.808 ( -0.000 -1.505 -28.501) 28.540 25.830 ( -0.000 -5.420 8.990) 10.498 26.490 ( -0.000 -2.609 -12.933) 13.193 28.504 ( 0.000 0.864 3.718) 3.817 29.270 ( 0.000 12.912 -22.742) 26.152 29.622 ( 0.000 4.857 21.920) 22.452 30.383 ( -0.000 -0.771 -5.372) 5.427 ======================= Grid point 380 (124/155) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 0.000 -0.000 -2.860) 2.860 1.562 ( 0.000 0.000 11.525) 11.525 1.761 ( 0.000 -0.000 -6.469) 6.469 1.826 ( 0.000 -0.000 10.515) 10.515 2.587 ( -0.000 0.000 -7.951) 7.951 2.601 ( 0.000 -0.000 -0.448) 0.448 2.965 ( -0.000 0.000 8.979) 8.979 3.046 ( -0.000 0.000 2.627) 2.627 3.094 ( 0.000 0.000 3.913) 3.913 3.396 ( 0.000 -0.000 -7.849) 7.849 3.430 ( -0.000 0.000 6.583) 6.583 3.730 ( 0.000 0.000 -6.833) 6.833 4.213 ( 0.000 -0.000 4.299) 4.299 4.301 ( -0.000 0.000 12.806) 12.806 4.771 ( 0.000 0.000 -8.473) 8.473 4.854 ( -0.000 0.000 0.679) 0.679 5.211 ( 0.000 -0.000 -10.519) 10.519 5.240 ( -0.000 0.000 -9.238) 9.238 6.283 ( 0.000 -0.000 61.414) 61.414 7.590 ( 0.000 0.000 7.359) 7.359 7.841 ( -0.000 0.000 -6.795) 6.795 8.377 ( 0.000 0.000 -14.217) 14.217 8.525 ( -0.000 0.000 3.148) 3.148 9.364 ( 0.000 -0.000 16.491) 16.491 9.502 ( -0.000 0.000 -6.066) 6.066 10.034 ( 0.000 -0.000 -9.064) 9.064 10.733 ( 0.000 0.000 45.696) 45.696 11.395 ( 0.000 -0.000 9.660) 9.660 11.849 ( 0.000 0.000 15.312) 15.312 12.251 ( 0.000 -0.000 8.685) 8.685 12.265 ( -0.000 0.000 8.759) 8.759 12.583 ( -0.000 0.000 -6.067) 6.067 12.838 ( 0.000 -0.000 18.628) 18.628 13.032 ( 0.000 -0.000 -4.078) 4.078 13.883 ( -0.000 0.000 -19.418) 19.418 13.985 ( 0.000 -0.000 -14.040) 14.040 14.515 ( -0.000 0.000 22.351) 22.351 15.341 ( 0.000 -0.000 10.606) 10.606 16.069 ( 0.000 -0.000 -18.763) 18.763 16.242 ( -0.000 0.000 -13.626) 13.626 16.992 ( 0.000 0.000 13.944) 13.944 18.765 ( -0.000 0.000 -27.882) 27.882 25.703 ( 0.000 -0.000 10.650) 10.650 26.438 ( 0.000 0.000 -13.137) 13.137 28.523 ( 0.000 0.000 4.825) 4.825 29.558 ( 0.000 0.000 -32.347) 32.347 29.739 ( 0.000 -0.000 20.713) 20.713 30.348 ( 0.000 0.000 -1.932) 1.932 ======================= Grid point 428 (125/155) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 0.000 0.000 12.790) 12.790 1.334 ( 0.000 0.000 -18.250) 18.250 1.795 ( 0.000 0.000 13.129) 13.129 1.999 ( 0.000 0.000 -5.544) 5.544 2.591 ( 0.000 0.000 1.429) 1.429 2.633 ( 0.000 0.000 -1.584) 1.584 2.886 ( 0.000 0.000 4.760) 4.760 2.947 ( 0.000 0.000 0.138) 0.138 3.326 ( 0.000 0.000 2.589) 2.589 3.351 ( 0.000 0.000 1.397) 1.397 4.094 ( 0.000 0.000 6.077) 6.077 4.264 ( 0.000 0.000 -9.109) 9.109 4.329 ( 0.000 0.000 5.248) 5.248 4.410 ( 0.000 0.000 -2.212) 2.212 4.824 ( 0.000 0.000 3.069) 3.069 4.926 ( 0.000 0.000 3.223) 3.223 4.941 ( 0.000 0.000 -7.389) 7.389 4.958 ( 0.000 0.000 0.176) 0.176 7.254 ( 0.000 0.000 28.654) 28.654 7.652 ( 0.000 0.000 -12.775) 12.775 7.934 ( 0.000 0.000 17.540) 17.540 8.299 ( 0.000 0.000 -16.064) 16.064 8.371 ( 0.000 0.000 11.884) 11.884 8.690 ( 0.000 0.000 -18.442) 18.442 9.245 ( 0.000 0.000 23.970) 23.970 9.811 ( 0.000 0.000 -27.236) 27.236 11.569 ( 0.000 0.000 33.107) 33.107 11.883 ( 0.000 0.000 5.032) 5.032 12.178 ( 0.000 0.000 13.734) 13.734 12.368 ( 0.000 0.000 2.240) 2.240 12.586 ( 0.000 0.000 -0.831) 0.831 12.795 ( 0.000 0.000 -12.440) 12.440 12.803 ( 0.000 0.000 9.501) 9.501 12.966 ( 0.000 0.000 -5.266) 5.266 13.521 ( 0.000 0.000 -11.059) 11.059 13.531 ( 0.000 0.000 -10.240) 10.240 15.019 ( 0.000 0.000 19.856) 19.856 15.484 ( 0.000 0.000 -23.194) 23.194 15.869 ( 0.000 0.000 10.342) 10.342 16.120 ( 0.000 0.000 -12.803) 12.803 17.604 ( 0.000 0.000 27.582) 27.582 18.193 ( 0.000 0.000 -28.327) 28.327 25.959 ( 0.000 0.000 12.793) 12.793 26.245 ( 0.000 0.000 -14.624) 14.624 28.613 ( 0.000 0.000 3.880) 3.880 28.706 ( 0.000 0.000 -5.070) 5.070 30.172 ( 0.000 0.000 8.633) 8.633 30.306 ( 0.000 0.000 -4.349) 4.349 ======================= Grid point 429 (126/155) ======================= q-point: ( 0.10 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 3.529 -6.423 11.869) 13.949 1.382 ( 1.366 -4.414 -16.467) 17.103 1.764 ( 0.991 2.775 14.435) 14.733 2.008 ( -0.168 -0.498 -8.036) 8.053 2.551 ( 0.040 4.216 2.716) 5.016 2.616 ( -1.175 1.733 -3.096) 3.737 2.885 ( 0.369 1.027 4.894) 5.014 2.945 ( -0.196 1.080 -0.108) 1.103 3.233 ( 0.598 5.496 6.117) 8.245 3.357 ( -0.635 1.457 -4.846) 5.100 4.108 ( -10.408 0.193 7.514) 12.839 4.192 ( -1.608 5.790 4.590) 7.561 4.336 ( 2.958 -3.332 -6.019) 7.489 4.390 ( 5.322 3.692 -6.618) 9.261 4.779 ( -6.316 0.295 7.500) 9.810 4.903 ( 3.617 2.139 3.803) 5.667 4.950 ( -1.664 -0.933 -5.466) 5.789 4.994 ( 3.236 -0.847 -3.692) 4.982 7.294 ( -0.243 -3.253 32.176) 32.341 7.744 ( -1.380 -7.247 -12.910) 14.869 8.078 ( -4.163 -17.069 14.650) 22.876 8.367 ( -5.512 -5.859 -1.541) 8.190 8.461 ( 8.142 -9.390 -1.224) 12.488 8.740 ( 5.619 -3.453 -17.917) 19.092 9.353 ( 2.036 -12.167 21.105) 24.446 9.877 ( -0.022 -7.385 -25.602) 26.646 11.577 ( -0.263 -0.715 31.046) 31.055 11.848 ( -2.215 3.071 5.876) 6.990 12.212 ( 0.140 -2.703 12.503) 12.792 12.354 ( -0.145 1.584 5.451) 5.678 12.571 ( -4.602 1.041 -0.848) 4.794 12.660 ( 1.967 8.963 4.811) 10.361 12.758 ( 1.053 3.879 -10.433) 11.181 12.951 ( 1.676 4.862 -13.592) 14.532 13.520 ( -0.446 -6.159 1.696) 6.404 13.711 ( -0.994 -11.471 -13.408) 17.673 14.986 ( 0.279 3.617 21.086) 21.396 15.465 ( 0.421 2.204 -23.367) 23.474 15.825 ( -0.858 4.508 10.932) 11.857 16.089 ( -0.425 3.266 -13.504) 13.900 17.563 ( -1.351 3.415 29.303) 29.532 18.187 ( -0.668 0.390 -29.775) 29.785 25.996 ( -0.327 -3.843 11.299) 11.939 26.256 ( -0.592 -1.318 -13.516) 13.593 28.604 ( 0.501 1.071 4.023) 4.193 28.702 ( 2.145 1.227 -5.370) 5.912 30.135 ( -0.457 3.548 10.119) 10.733 30.298 ( -0.243 0.995 -5.668) 5.760 ======================= Grid point 430 (127/155) ======================= q-point: ( 0.20 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 4.383 -8.693 10.710) 14.473 1.497 ( 2.115 -6.489 -12.727) 14.442 1.735 ( 2.401 1.471 14.302) 14.577 2.003 ( -0.056 0.894 -10.490) 10.528 2.448 ( 0.196 6.740 4.061) 7.871 2.550 ( -0.870 4.626 -5.385) 7.152 2.812 ( -5.642 5.195 4.528) 8.906 2.869 ( -3.291 6.069 -0.609) 6.930 3.200 ( 5.880 0.655 4.929) 7.701 3.330 ( 0.858 0.808 -7.007) 7.105 3.905 ( -3.339 10.840 7.064) 13.362 4.057 ( -10.152 8.046 -5.638) 14.128 4.409 ( 9.285 -4.713 4.071) 11.180 4.498 ( 3.931 -6.364 -2.564) 7.907 4.729 ( -5.654 1.112 8.330) 10.128 4.882 ( 0.051 2.010 -0.977) 2.236 4.977 ( 5.546 -0.679 -2.690) 6.202 5.036 ( 1.547 -2.685 -3.288) 4.518 7.334 ( -0.607 -1.337 35.171) 35.202 7.816 ( -2.470 -1.954 -12.497) 12.888 8.403 ( -7.020 -13.858 9.136) 18.022 8.474 ( -6.544 -15.435 6.069) 17.829 8.697 ( 1.142 -9.912 0.150) 9.978 8.890 ( 9.294 -7.307 -15.474) 19.473 9.756 ( 6.377 -28.009 9.313) 30.198 10.098 ( 0.779 -17.231 -19.567) 26.084 11.576 ( -0.789 1.071 24.767) 24.803 11.748 ( -2.798 5.632 6.222) 8.847 12.179 ( -1.233 7.081 10.744) 12.927 12.324 ( -4.114 1.584 3.240) 5.470 12.501 ( 3.943 1.313 9.389) 10.268 12.621 ( -2.459 -2.076 -5.129) 6.055 12.736 ( 2.548 -1.655 -6.782) 7.432 12.868 ( 3.742 3.578 -16.716) 17.500 13.656 ( -2.399 -7.847 8.298) 11.670 13.889 ( -3.159 -8.853 -12.260) 15.448 14.898 ( 1.199 6.173 23.605) 24.429 15.411 ( 1.230 4.118 -23.940) 24.323 15.690 ( -1.573 9.482 12.439) 15.720 15.992 ( -1.206 6.794 -15.626) 17.082 17.490 ( -1.351 3.000 32.265) 32.432 18.176 ( -0.771 0.167 -32.413) 32.422 26.078 ( -0.928 -5.016 8.463) 9.881 26.284 ( -0.810 -2.195 -11.185) 11.427 28.582 ( 0.751 1.754 4.275) 4.681 28.688 ( 3.029 2.226 -5.900) 6.996 30.051 ( -0.618 4.926 12.826) 13.753 30.265 ( -0.362 2.240 -8.089) 8.402 ======================= Grid point 431 (128/155) ======================= q-point: ( 0.30 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 4.517 -8.397 9.739) 13.629 1.632 ( 2.437 -6.367 -9.400) 11.611 1.734 ( 2.046 0.643 11.644) 11.840 1.978 ( 0.047 1.964 -10.653) 10.832 2.326 ( 0.792 6.369 4.503) 7.840 2.449 ( -0.793 5.277 -6.669) 8.541 2.657 ( -6.043 6.610 2.980) 9.439 2.711 ( -5.713 6.898 -1.990) 9.175 3.238 ( 5.803 0.526 2.659) 6.405 3.324 ( 0.367 1.197 -5.117) 5.268 3.732 ( 0.143 6.411 4.890) 8.064 3.851 ( -3.402 8.494 -5.819) 10.844 4.559 ( 5.849 -4.511 7.190) 10.309 4.598 ( 0.563 -1.925 4.815) 5.216 4.693 ( 1.659 -0.241 2.295) 2.842 4.851 ( 0.361 0.918 -7.075) 7.144 5.029 ( 4.967 -1.294 2.347) 5.644 5.115 ( 1.416 -4.242 -3.412) 5.625 7.342 ( -0.890 -0.322 35.021) 35.034 7.801 ( -2.741 1.147 -11.277) 11.661 8.517 ( -3.631 -6.376 13.709) 15.549 8.693 ( -7.750 -8.411 3.386) 11.927 8.848 ( -4.184 -9.359 -0.651) 10.272 9.099 ( 5.445 -8.731 -15.819) 18.871 10.332 ( 6.714 -26.940 5.381) 28.281 10.527 ( 1.833 -27.614 -12.208) 30.248 11.506 ( -1.690 5.833 17.006) 18.058 11.624 ( -0.758 6.256 3.009) 6.984 12.025 ( -2.598 6.587 10.963) 13.051 12.241 ( -2.130 4.682 -3.718) 6.347 12.475 ( 4.124 2.595 5.737) 7.527 12.715 ( -3.833 -0.086 -10.234) 10.928 12.822 ( 3.454 -13.676 5.973) 15.317 12.982 ( 6.334 -11.201 -8.408) 15.371 13.743 ( -4.932 -4.107 10.954) 12.696 13.981 ( -5.026 -3.972 -10.834) 12.587 14.794 ( 2.586 6.058 25.507) 26.344 15.339 ( 2.172 4.799 -24.300) 24.865 15.459 ( -2.141 14.162 14.590) 20.445 15.831 ( -1.927 9.226 -19.729) 21.865 17.448 ( -0.715 0.860 34.129) 34.147 18.174 ( -0.459 -0.448 -34.086) 34.092 26.152 ( -1.330 -3.672 6.853) 7.888 26.322 ( -0.613 -2.402 -9.527) 9.845 28.554 ( 0.702 1.745 4.312) 4.705 28.662 ( 2.498 2.517 -6.057) 7.019 29.959 ( -0.502 4.393 14.962) 15.601 30.217 ( -0.289 2.568 -10.112) 10.437 ======================= Grid point 432 (129/155) ======================= q-point: ( 0.40 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 4.061 -5.536 8.010) 10.550 1.721 ( 0.139 0.466 6.929) 6.946 1.761 ( 2.082 -4.705 -6.607) 8.374 1.928 ( -0.512 3.260 -9.302) 9.870 2.249 ( 1.698 2.299 4.375) 5.226 2.361 ( -1.758 3.528 -4.553) 6.022 2.519 ( -1.534 4.834 -0.227) 5.076 2.568 ( -5.670 4.258 -3.631) 7.966 3.243 ( 2.422 1.786 1.327) 3.289 3.286 ( -0.731 1.929 -2.474) 3.221 3.670 ( 1.229 1.624 1.537) 2.552 3.716 ( 0.061 4.994 -2.580) 5.622 4.582 ( 1.503 1.029 9.650) 9.821 4.666 ( 2.031 -2.829 3.372) 4.848 4.727 ( 3.461 -0.013 1.089) 3.628 4.859 ( 1.579 -0.662 -9.605) 9.756 5.083 ( 1.900 -1.807 6.034) 6.579 5.189 ( 0.938 -2.709 -3.674) 4.660 7.341 ( -0.704 -0.216 33.443) 33.451 7.755 ( -2.117 1.720 -9.407) 9.794 8.598 ( -1.920 -4.402 15.355) 16.088 8.714 ( -4.615 -0.306 12.423) 13.256 8.977 ( -2.975 -6.438 -9.183) 11.603 9.242 ( 0.816 -4.601 -21.492) 21.994 10.797 ( 5.010 -19.664 11.093) 23.127 11.010 ( 0.320 -21.770 -8.607) 23.412 11.356 ( -1.802 8.768 13.241) 15.982 11.508 ( 1.401 7.177 -3.477) 8.098 11.925 ( -1.520 2.909 9.563) 10.111 12.136 ( -1.058 4.858 -7.737) 9.197 12.509 ( 4.011 -2.709 7.195) 8.671 12.665 ( -4.227 1.777 -5.268) 6.984 13.124 ( 4.931 -13.237 8.794) 16.640 13.291 ( 4.869 -17.042 -6.764) 18.970 13.749 ( -5.381 -1.092 10.931) 12.232 13.956 ( -5.518 3.358 -8.611) 10.765 14.737 ( 3.262 1.409 24.992) 25.244 15.155 ( -2.558 15.335 17.633) 23.508 15.285 ( 2.008 3.350 -22.297) 22.637 15.658 ( -1.700 7.378 -26.155) 27.229 17.441 ( -0.257 -0.214 34.924) 34.925 18.183 ( -0.165 -0.559 -34.599) 34.604 26.192 ( -0.953 -1.691 6.844) 7.113 26.357 ( -0.314 -1.589 -9.153) 9.295 28.531 ( 0.429 1.045 4.069) 4.223 28.634 ( 1.277 1.708 -5.768) 6.150 29.892 ( -0.259 2.539 16.139) 16.339 30.176 ( -0.138 1.672 -11.335) 11.459 ======================= Grid point 433 (130/155) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 0.000 -0.000 6.772) 6.772 1.701 ( -0.000 0.000 7.131) 7.131 1.835 ( 0.000 -0.000 -9.076) 9.076 1.872 ( 0.000 -0.000 -7.658) 7.658 2.262 ( 0.000 -0.000 2.362) 2.362 2.296 ( 0.000 -0.000 1.333) 1.333 2.488 ( 0.000 -0.000 -4.635) 4.635 2.490 ( -0.000 0.000 -3.616) 3.616 3.227 ( 0.000 -0.000 1.330) 1.330 3.266 ( -0.000 -0.000 -2.522) 2.522 3.666 ( -0.000 -0.000 0.021) 0.021 3.668 ( 0.000 0.000 -0.302) 0.302 4.580 ( 0.000 -0.000 9.354) 9.354 4.703 ( 0.000 -0.000 -0.764) 0.764 4.733 ( 0.000 -0.000 4.693) 4.693 4.873 ( 0.000 -0.000 -9.355) 9.355 5.108 ( -0.000 0.000 7.073) 7.073 5.218 ( 0.000 -0.000 -3.761) 3.761 7.341 ( -0.000 -0.000 32.472) 32.472 7.729 ( 0.000 -0.000 -8.412) 8.412 8.643 ( -0.000 0.000 13.701) 13.701 8.688 ( 0.000 -0.000 16.684) 16.684 9.028 ( 0.000 -0.000 -10.743) 10.743 9.285 ( 0.000 -0.000 -23.890) 23.890 11.073 ( 0.000 -0.000 14.737) 14.737 11.169 ( -0.000 0.000 10.955) 10.955 11.297 ( -0.000 -0.000 -0.245) 0.245 11.387 ( 0.000 -0.000 -12.934) 12.934 11.895 ( 0.000 -0.000 7.867) 7.867 12.082 ( 0.000 -0.000 -7.030) 7.030 12.591 ( -0.000 -0.000 1.971) 1.971 12.597 ( 0.000 -0.000 0.890) 0.890 13.283 ( 0.000 -0.000 13.776) 13.776 13.520 ( 0.000 -0.000 -8.224) 8.224 13.795 ( 0.000 -0.000 1.209) 1.209 13.800 ( -0.000 0.000 0.557) 0.557 14.774 ( 0.000 -0.000 19.379) 19.379 14.951 ( -0.000 -0.000 25.444) 25.444 15.261 ( 0.000 -0.000 -21.980) 21.980 15.578 ( 0.000 0.000 -30.290) 30.290 17.444 ( -0.000 -0.000 35.136) 35.136 18.188 ( 0.000 -0.000 -34.654) 34.654 26.204 ( 0.000 -0.000 7.077) 7.077 26.371 ( 0.000 -0.000 -9.196) 9.196 28.523 ( 0.000 -0.000 3.893) 3.893 28.622 ( 0.000 -0.000 -5.548) 5.548 29.868 ( 0.000 -0.000 16.499) 16.499 30.159 ( 0.000 -0.000 -11.737) 11.737 ======================= Grid point 440 (131/155) ======================= q-point: ( 0.10 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 7.867 -0.000 11.387) 13.841 1.354 ( 3.008 -0.000 -16.263) 16.539 1.803 ( 1.108 -0.000 12.334) 12.384 1.996 ( -0.424 0.000 -4.886) 4.905 2.598 ( 0.978 -0.000 -0.199) 0.998 2.607 ( -3.355 0.000 -0.640) 3.415 2.918 ( 4.258 -0.000 3.642) 5.604 2.951 ( 0.770 -0.000 1.232) 1.453 3.305 ( -2.971 0.000 3.086) 4.284 3.346 ( -0.754 0.000 0.566) 0.943 4.006 ( -10.959 0.000 7.238) 13.133 4.211 ( -7.625 0.000 -10.888) 13.292 4.373 ( 3.931 -0.000 5.144) 6.474 4.430 ( 2.277 -0.000 -0.663) 2.371 4.769 ( -3.941 0.000 2.648) 4.748 4.863 ( -6.509 0.000 -3.886) 7.581 4.987 ( 5.272 -0.000 1.134) 5.392 5.002 ( 2.060 -0.000 -1.909) 2.809 7.251 ( -0.224 0.000 28.511) 28.512 7.644 ( -0.927 0.000 -12.691) 12.725 7.896 ( -4.396 0.000 18.114) 18.640 8.269 ( -3.989 0.000 -16.184) 16.668 8.457 ( 11.011 -0.000 10.984) 15.553 8.758 ( 9.299 -0.000 -17.258) 19.603 9.261 ( 2.573 -0.000 23.291) 23.433 9.810 ( -0.220 0.000 -26.464) 26.465 11.566 ( -0.513 0.000 32.109) 32.113 11.853 ( -4.496 0.000 5.443) 7.060 12.177 ( -0.268 0.000 13.776) 13.778 12.375 ( 0.870 -0.000 1.856) 2.050 12.558 ( -3.391 0.000 0.340) 3.408 12.743 ( -6.483 0.000 -10.660) 12.477 12.833 ( 3.943 -0.000 8.227) 9.123 12.999 ( 3.595 -0.000 -5.718) 6.754 13.518 ( -0.483 0.000 -11.366) 11.376 13.528 ( -0.278 0.000 -10.609) 10.613 15.021 ( 0.338 -0.000 20.188) 20.190 15.489 ( 0.811 -0.000 -23.190) 23.204 15.856 ( -1.954 0.000 11.027) 11.199 16.114 ( -0.881 0.000 -12.923) 12.953 17.583 ( -2.980 0.000 27.998) 28.156 18.184 ( -1.391 0.000 -28.875) 28.909 25.956 ( -0.435 0.000 12.622) 12.629 26.237 ( -1.187 0.000 -14.266) 14.315 28.620 ( 1.024 -0.000 4.591) 4.704 28.737 ( 4.426 -0.000 -6.669) 8.004 30.165 ( -1.043 0.000 8.841) 8.902 30.303 ( -0.481 0.000 -4.482) 4.508 ======================= Grid point 441 (132/155) ======================= q-point: ( 0.20 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 8.979 -4.913 9.975) 14.292 1.417 ( 3.996 -4.031 -13.484) 14.630 1.787 ( 2.177 2.062 12.858) 13.203 2.002 ( -0.755 -0.615 -6.262) 6.337 2.541 ( -1.950 3.854 1.801) 4.680 2.599 ( -0.702 1.514 -3.424) 3.809 2.890 ( 0.324 5.381 5.062) 7.395 2.946 ( 0.598 3.020 0.265) 3.090 3.241 ( 0.227 1.678 4.505) 4.813 3.343 ( -1.226 0.502 -4.407) 4.602 3.962 ( -11.086 -1.562 6.375) 12.883 4.091 ( -11.014 6.252 -3.794) 13.221 4.405 ( 4.092 -2.859 0.731) 5.046 4.456 ( 4.559 -1.115 -1.824) 5.036 4.714 ( -2.174 1.725 6.505) 7.072 4.883 ( -2.918 -3.002 -6.248) 7.521 4.981 ( 1.804 0.973 2.065) 2.910 5.038 ( 3.778 -0.887 -2.574) 4.656 7.290 ( -0.355 -3.034 31.435) 31.583 7.715 ( -2.632 -6.290 -12.406) 14.156 8.005 ( -5.595 -15.143 14.300) 21.566 8.291 ( -5.844 -5.288 -9.458) 12.312 8.584 ( 8.976 -5.322 7.260) 12.712 8.857 ( 10.865 -3.389 -15.915) 19.566 9.410 ( 6.796 -14.222 18.219) 24.091 9.877 ( 0.201 -7.749 -23.375) 24.627 11.568 ( -1.074 -0.604 29.140) 29.166 11.794 ( -5.688 2.510 6.147) 8.743 12.213 ( -0.027 -3.137 12.032) 12.434 12.349 ( -0.709 3.829 5.217) 6.510 12.507 ( -4.501 2.058 2.226) 5.427 12.647 ( -3.219 3.718 -6.608) 8.237 12.807 ( 5.665 4.195 -1.495) 7.206 12.982 ( 2.430 4.921 -10.731) 12.053 13.511 ( -0.927 -5.038 -0.071) 5.123 13.688 ( -2.261 -10.343 -13.628) 17.258 14.994 ( 0.889 3.288 21.697) 21.963 15.478 ( 1.573 2.035 -23.271) 23.413 15.801 ( -2.929 4.333 11.906) 13.004 16.075 ( -1.829 3.420 -13.636) 14.177 17.532 ( -3.014 2.723 29.733) 30.009 18.171 ( -1.520 0.144 -30.588) 30.626 25.988 ( -0.823 -3.622 11.187) 11.788 26.242 ( -1.424 -1.455 -13.040) 13.198 28.617 ( 1.285 1.177 5.237) 5.519 28.754 ( 5.448 1.765 -8.073) 9.898 30.123 ( -1.299 3.370 10.449) 11.055 30.292 ( -0.651 0.957 -5.850) 5.964 ======================= Grid point 442 (133/155) ======================= q-point: ( 0.30 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 7.770 -6.991 9.236) 13.948 1.538 ( 3.931 -5.862 -10.280) 12.469 1.774 ( 3.190 1.484 12.513) 12.998 1.999 ( -0.642 0.446 -7.583) 7.623 2.444 ( -1.020 5.539 3.354) 6.555 2.536 ( -1.152 4.625 -4.927) 6.855 2.737 ( -5.120 8.071 5.172) 10.868 2.826 ( -2.642 8.423 -2.342) 9.133 3.266 ( 3.188 -1.459 1.943) 4.009 3.339 ( 0.348 -0.191 -4.975) 4.991 3.855 ( -4.125 7.290 3.488) 9.073 3.926 ( -8.978 3.386 -2.194) 9.842 4.511 ( 4.242 -5.740 3.687) 8.033 4.556 ( 5.696 -3.672 0.815) 6.826 4.694 ( 1.073 -0.372 6.952) 7.044 4.874 ( -0.731 1.337 -6.102) 6.289 5.024 ( 0.831 -3.485 1.706) 3.968 5.081 ( 5.255 -0.622 -3.988) 6.626 7.324 ( -0.914 -1.150 33.948) 33.980 7.774 ( -3.633 -2.164 -11.635) 12.380 8.309 ( -6.911 -18.636 5.498) 20.622 8.378 ( -6.983 -9.974 1.513) 12.269 8.710 ( 0.189 -4.637 8.826) 9.971 9.011 ( 8.567 -5.807 -16.077) 19.120 9.870 ( 10.251 -27.730 6.477) 30.266 10.114 ( 1.632 -18.018 -14.494) 23.182 11.557 ( -2.112 1.298 22.598) 22.733 11.701 ( -4.041 3.655 5.044) 7.425 12.156 ( -1.964 9.036 10.478) 13.975 12.288 ( -1.284 1.205 3.856) 4.239 12.529 ( 0.296 -4.367 5.555) 7.072 12.580 ( -3.670 -0.587 -5.729) 6.829 12.791 ( 5.563 2.141 -3.363) 6.844 12.928 ( 5.153 0.369 -12.206) 13.255 13.611 ( -4.248 -6.278 6.522) 10.000 13.835 ( -4.692 -7.794 -12.733) 15.649 14.921 ( 2.246 5.470 24.327) 25.035 15.438 ( 2.901 3.801 -23.380) 23.864 15.657 ( -3.390 9.188 12.762) 16.086 15.964 ( -3.150 6.885 -15.634) 17.371 17.468 ( -1.703 2.125 32.251) 32.366 18.163 ( -1.012 -0.244 -33.022) 33.039 26.062 ( -1.419 -4.781 8.852) 10.160 26.270 ( -1.182 -2.509 -11.082) 11.423 28.595 ( 1.179 1.972 5.479) 5.941 28.741 ( 4.726 3.343 -8.594) 10.362 30.039 ( -1.110 4.624 13.137) 13.971 30.259 ( -0.597 2.095 -8.225) 8.508 ======================= Grid point 443 (134/155) ======================= q-point: ( 0.40 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 6.398 -7.148 8.258) 12.658 1.671 ( 3.306 -5.837 -7.720) 10.227 1.761 ( 1.761 1.959 10.734) 11.052 1.976 ( -0.323 1.941 -8.187) 8.420 2.337 ( 0.767 5.547 4.061) 6.917 2.428 ( -2.281 5.363 -4.031) 7.086 2.577 ( -5.728 4.899 1.474) 7.681 2.645 ( -3.874 8.142 -4.277) 9.980 3.294 ( 2.248 0.872 0.668) 2.502 3.333 ( 1.131 1.497 -2.998) 3.537 3.723 ( -1.713 4.327 3.752) 5.978 3.814 ( -1.683 5.370 -4.299) 7.082 4.593 ( 0.566 -0.501 8.926) 8.958 4.647 ( 6.149 -2.726 2.886) 7.319 4.751 ( 6.236 -1.547 2.292) 6.822 4.867 ( 1.806 -0.622 -4.888) 5.248 5.077 ( 1.624 -1.154 1.086) 2.269 5.135 ( 1.874 -2.673 -4.143) 5.275 7.329 ( -1.103 -0.402 33.716) 33.736 7.760 ( -3.367 0.595 -10.469) 11.014 8.465 ( -4.076 -7.636 10.961) 13.967 8.596 ( -6.205 -11.350 1.493) 13.021 8.786 ( -5.277 -7.424 6.046) 10.932 9.158 ( 3.392 -5.453 -20.104) 21.105 10.428 ( 7.217 -24.634 5.152) 26.181 10.559 ( 3.081 -27.298 -6.951) 28.337 11.478 ( -2.455 5.634 15.905) 17.051 11.617 ( -0.248 4.149 -0.181) 4.160 11.993 ( -1.957 6.219 12.389) 14.000 12.230 ( 0.351 4.957 -5.089) 7.113 12.492 ( -1.520 0.505 4.749) 5.012 12.663 ( -3.965 -0.502 -7.848) 8.807 12.895 ( 7.377 -13.109 7.769) 16.929 13.074 ( 7.383 -10.338 -8.223) 15.133 13.662 ( -7.147 -3.488 9.897) 12.697 13.904 ( -6.206 -3.610 -11.986) 13.971 14.836 ( 3.752 5.576 26.381) 27.224 15.379 ( 3.427 5.691 -19.643) 20.736 15.422 ( -3.039 13.289 10.844) 17.419 15.793 ( -4.003 8.736 -20.138) 22.314 17.439 ( -0.615 0.378 33.930) 33.937 18.168 ( -0.433 -0.751 -34.405) 34.416 26.132 ( -1.531 -3.842 7.608) 8.660 26.313 ( -0.699 -2.724 -9.846) 10.239 28.564 ( 0.832 2.012 5.090) 5.536 28.700 ( 2.975 3.783 -7.898) 9.249 29.951 ( -0.686 4.087 15.193) 15.748 30.213 ( -0.361 2.395 -10.195) 10.479 ======================= Grid point 444 (135/155) ======================= q-point: ( 0.50 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 3.721 -3.775 7.036) 8.809 1.722 ( -0.012 2.076 8.041) 8.305 1.789 ( 2.128 -4.307 -7.222) 8.674 1.921 ( -0.575 3.611 -8.218) 8.994 2.276 ( 2.180 1.717 3.527) 4.488 2.327 ( -3.119 3.670 -0.449) 4.837 2.484 ( -5.457 1.924 -2.135) 6.168 2.513 ( -0.746 3.171 -5.587) 6.468 3.264 ( 1.468 2.881 2.085) 3.847 3.316 ( 3.929 2.102 -2.787) 5.256 3.663 ( -2.205 1.409 1.713) 3.127 3.714 ( 0.001 4.495 -2.705) 5.246 4.589 ( -0.161 1.079 9.147) 9.212 4.696 ( 1.673 0.041 0.364) 1.713 4.784 ( 5.328 2.086 3.745) 6.838 4.906 ( 5.147 0.144 -6.321) 8.153 5.097 ( 0.130 -0.711 4.231) 4.293 5.189 ( -1.199 -2.570 -4.077) 4.966 7.332 ( -0.650 -0.652 32.580) 32.593 7.728 ( -1.768 0.471 -8.884) 9.071 8.571 ( -2.163 -6.038 13.971) 15.373 8.670 ( -1.832 -2.093 13.611) 13.892 8.921 ( -5.204 -9.128 -7.593) 12.963 9.251 ( 0.476 -3.462 -24.013) 24.266 10.861 ( 4.071 -18.372 11.112) 21.854 11.020 ( 1.458 -19.491 -4.106) 19.972 11.329 ( -2.138 8.696 13.315) 16.047 11.530 ( 1.890 6.681 -7.786) 10.432 11.910 ( -0.717 2.068 10.362) 10.590 12.129 ( 0.040 4.963 -8.084) 9.486 12.529 ( -1.445 -4.254 5.324) 6.966 12.617 ( -2.219 1.626 -2.332) 3.607 13.206 ( 7.430 -11.191 9.024) 16.183 13.370 ( 6.702 -15.551 -5.791) 17.896 13.667 ( -6.970 -3.645 9.476) 12.315 13.873 ( -6.765 2.577 -9.546) 11.981 14.789 ( 4.402 1.956 25.680) 26.128 15.114 ( -3.805 15.044 18.677) 24.282 15.319 ( 3.206 4.782 -21.948) 22.690 15.625 ( -3.273 5.830 -27.359) 28.164 17.439 ( -0.135 -0.403 34.791) 34.793 18.181 ( -0.117 -0.699 -34.727) 34.734 26.180 ( -0.892 -2.283 7.382) 7.778 26.353 ( -0.275 -1.827 -9.455) 9.634 28.537 ( 0.393 1.340 4.373) 4.591 28.652 ( 1.236 2.746 -6.583) 7.239 29.888 ( -0.282 2.306 16.260) 16.425 30.174 ( -0.137 1.549 -11.374) 11.480 ======================= Grid point 445 (136/155) ======================= q-point: (-0.40 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -2.204 3.177 8.582) 9.413 1.718 ( 1.587 -0.485 5.665) 5.903 1.832 ( -0.455 3.452 -9.206) 9.843 1.875 ( 0.420 -2.262 -8.088) 8.409 2.237 ( -2.312 2.115 3.902) 5.004 2.320 ( 2.289 -2.435 -1.150) 3.534 2.446 ( -3.041 -2.121 -0.805) 3.794 2.526 ( 2.159 -3.047 -6.258) 7.288 3.234 ( 1.682 1.435 3.197) 3.886 3.309 ( 5.141 1.730 -3.626) 6.525 3.637 ( -3.453 -0.785 0.648) 3.600 3.662 ( -1.315 0.645 -1.363) 2.001 4.557 ( -2.931 0.705 9.065) 9.553 4.688 ( -1.508 0.297 -1.696) 2.290 4.752 ( 2.099 4.017 5.570) 7.181 4.907 ( 4.307 3.209 -9.528) 10.938 5.099 ( -1.289 0.505 6.900) 7.037 5.205 ( -1.922 -0.190 -3.356) 3.872 7.342 ( 0.071 -0.512 32.620) 32.624 7.733 ( 0.484 -1.483 -8.429) 8.572 8.635 ( -0.737 -1.337 14.620) 14.700 8.712 ( 2.963 -2.695 17.362) 17.818 9.009 ( -2.560 -2.982 -12.012) 12.639 9.287 ( 0.218 0.076 -24.282) 24.283 11.066 ( -0.812 10.446 14.884) 18.202 11.174 ( 0.568 -8.899 11.932) 14.896 11.304 ( 0.991 -3.003 -1.062) 3.335 11.381 ( -0.823 5.472 -13.147) 14.265 11.901 ( 0.806 -0.760 7.601) 7.681 12.088 ( 0.865 -0.602 -7.457) 7.531 12.524 ( -5.323 1.936 6.697) 8.771 12.645 ( 2.774 -3.227 -3.647) 5.604 13.289 ( 0.816 5.829 14.075) 15.256 13.530 ( 1.361 6.949 -8.483) 11.050 13.758 ( -2.972 -1.904 4.605) 5.802 13.831 ( 2.074 -11.339 -2.470) 11.789 14.773 ( -0.094 5.714 19.844) 20.651 14.953 ( 0.275 -5.118 25.610) 26.118 15.264 ( 0.341 2.058 -22.726) 22.821 15.572 ( -0.864 -1.885 -30.039) 30.110 17.444 ( 0.068 -0.121 35.088) 35.089 18.188 ( 0.019 -0.084 -34.649) 34.649 26.204 ( 0.021 -0.701 7.078) 7.113 26.371 ( 0.039 -0.202 -9.207) 9.209 28.523 ( -0.034 0.299 3.901) 3.913 28.622 ( -0.011 0.843 -5.556) 5.620 29.868 ( -0.008 -0.178 16.508) 16.509 30.159 ( 0.002 -0.087 -11.737) 11.737 ======================= Grid point 446 (137/155) ======================= q-point: (-0.30 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( -2.675 6.244 9.462) 11.648 1.720 ( 0.014 1.854 3.416) 3.887 1.737 ( -1.454 4.322 -3.927) 6.018 1.933 ( 0.281 -2.866 -10.553) 10.938 2.232 ( -0.920 -2.887 5.074) 5.910 2.373 ( 0.340 -3.021 -7.528) 8.119 2.540 ( 1.323 -7.913 3.406) 8.716 2.632 ( 3.603 -6.186 -4.824) 8.632 3.214 ( -1.411 1.469 4.735) 5.155 3.322 ( 3.628 0.445 -4.871) 6.090 3.639 ( -2.972 -2.569 2.283) 4.544 3.708 ( -1.051 -6.823 -4.012) 7.984 4.550 ( -2.566 -2.052 9.610) 10.156 4.658 ( 0.162 5.327 5.771) 7.855 4.690 ( -1.756 -0.064 -1.271) 2.169 4.859 ( 1.044 2.923 -11.650) 12.057 5.053 ( -2.280 3.167 7.323) 8.298 5.170 ( -1.615 2.547 -3.256) 4.438 7.349 ( 0.461 -0.100 34.285) 34.288 7.779 ( 1.447 -2.507 -9.794) 10.213 8.621 ( 1.358 2.854 16.103) 16.410 8.778 ( 4.469 -1.008 14.787) 15.481 8.996 ( 0.030 3.282 -13.688) 14.076 9.233 ( -0.474 6.454 -19.274) 20.331 10.740 ( -3.275 21.194 11.644) 24.403 11.008 ( -0.045 23.607 -13.574) 27.232 11.375 ( 1.023 -9.264 13.755) 16.616 11.495 ( -0.595 -7.827 0.388) 7.859 11.946 ( 1.367 -3.536 8.350) 9.170 12.157 ( 1.901 -5.375 -8.990) 10.645 12.444 ( -4.916 2.371 11.856) 13.052 12.712 ( 2.652 -2.040 -10.383) 10.909 13.075 ( -2.467 14.626 9.659) 17.700 13.244 ( -2.260 18.611 -6.367) 19.800 13.805 ( 2.988 -0.770 11.840) 12.235 14.014 ( 3.138 -4.222 -8.196) 9.739 14.704 ( -1.737 -0.931 24.777) 24.855 15.183 ( 1.613 -15.317 17.328) 23.183 15.264 ( -1.260 -2.646 -23.482) 23.664 15.672 ( 0.504 -8.362 -25.160) 26.518 17.445 ( 0.222 0.016 34.949) 34.949 18.185 ( 0.126 0.418 -34.482) 34.485 26.203 ( 0.620 1.177 6.379) 6.517 26.361 ( 0.215 1.401 -8.911) 9.023 28.526 ( -0.286 -0.810 3.824) 3.919 28.620 ( -0.810 -0.839 -5.103) 5.235 29.895 ( 0.149 -2.713 16.069) 16.297 30.177 ( 0.085 -1.771 -11.305) 11.444 ======================= Grid point 447 (138/155) ======================= q-point: (-0.20 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -1.596 8.877 10.520) 13.857 1.610 ( -0.869 6.610 -10.431) 12.380 1.713 ( -0.906 0.316 12.395) 12.432 1.976 ( -0.082 -1.861 -12.143) 12.285 2.318 ( -0.342 -6.508 4.753) 8.066 2.454 ( 0.080 -5.490 -7.677) 9.438 2.717 ( 2.459 -9.105 3.721) 10.139 2.781 ( 3.881 -6.677 -2.453) 8.103 3.164 ( -3.994 1.393 6.667) 7.896 3.321 ( -0.067 0.727 -7.694) 7.729 3.727 ( -0.328 -8.513 6.532) 10.735 3.889 ( 1.814 -12.316 -8.424) 15.031 4.497 ( -2.771 7.567 9.120) 12.170 4.582 ( -1.156 3.263 2.455) 4.244 4.702 ( 1.373 -2.763 2.150) 3.761 4.861 ( 1.633 -2.336 -9.303) 9.730 4.963 ( -4.129 3.985 6.655) 8.787 5.099 ( -0.791 4.066 -4.343) 6.002 7.351 ( 0.339 0.276 35.867) 35.870 7.827 ( 1.042 -1.469 -11.686) 11.824 8.554 ( 1.574 5.265 15.334) 16.289 8.778 ( 3.970 5.344 9.569) 11.657 8.901 ( 3.814 8.324 -12.995) 15.897 9.021 ( -5.403 14.446 -9.947) 18.353 10.267 ( -2.692 28.343 5.881) 29.071 10.511 ( -0.649 27.818 -15.878) 32.037 11.521 ( 0.591 -5.610 17.784) 18.657 11.633 ( 0.407 -7.632 4.848) 9.050 12.052 ( 1.198 -6.992 9.993) 12.255 12.286 ( 4.268 -5.845 -6.239) 9.555 12.400 ( -5.850 -2.080 10.767) 12.428 12.761 ( 2.715 -0.782 -14.216) 14.494 12.795 ( -1.203 12.158 3.559) 12.725 12.916 ( -3.062 14.014 -5.411) 15.331 13.788 ( 1.757 4.480 11.747) 12.694 14.029 ( 1.960 3.965 -10.552) 11.441 14.770 ( -0.932 -6.312 25.309) 26.100 15.321 ( -0.640 -4.619 -25.420) 25.845 15.477 ( 0.650 -14.373 14.883) 20.700 15.847 ( 0.507 -9.459 -19.431) 21.616 17.455 ( 0.327 -1.235 34.184) 34.208 18.179 ( 0.201 0.219 -33.865) 33.866 26.164 ( 0.530 3.560 6.340) 7.291 26.328 ( 0.247 2.180 -9.335) 9.590 28.547 ( -0.276 -1.580 3.819) 4.143 28.638 ( -0.977 -1.703 -4.880) 5.260 29.964 ( 0.180 -4.563 14.858) 15.544 30.220 ( 0.110 -2.672 -10.065) 10.414 ======================= Grid point 448 (139/155) ======================= q-point: (-0.10 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 0.000 9.443 11.214) 14.660 1.483 ( 0.000 6.687 -13.771) 15.309 1.718 ( -0.000 -1.476 15.145) 15.217 2.003 ( -0.000 -1.037 -11.553) 11.600 2.445 ( -0.000 -6.956 4.415) 8.239 2.556 ( -0.000 -4.992 -5.750) 7.614 2.856 ( -0.000 -3.910 3.655) 5.353 2.897 ( -0.000 -4.392 -0.268) 4.400 3.150 ( -0.000 -2.235 7.537) 7.861 3.323 ( -0.000 -1.409 -8.271) 8.390 3.930 ( -0.000 -13.085 9.038) 15.903 4.150 ( -0.000 -14.093 -11.232) 18.021 4.322 ( 0.000 9.499 8.878) 13.002 4.467 ( 0.000 7.490 -4.141) 8.558 4.797 ( -0.000 -5.313 5.645) 7.753 4.858 ( 0.000 4.224 9.133) 10.062 4.936 ( -0.000 -3.110 -7.014) 7.673 5.025 ( 0.000 3.406 -6.039) 6.933 7.339 ( 0.000 1.380 35.696) 35.723 7.833 ( 0.000 1.729 -12.824) 12.940 8.464 ( 0.000 4.813 13.931) 14.739 8.516 ( 0.000 25.082 9.744) 26.908 8.699 ( 0.000 13.974 -5.679) 15.083 8.806 ( 0.000 5.818 -18.406) 19.304 9.713 ( 0.000 27.874 10.633) 29.833 10.093 ( 0.000 16.895 -21.371) 27.242 11.580 ( -0.000 -0.973 25.514) 25.532 11.768 ( -0.000 -6.347 6.525) 9.103 12.187 ( -0.000 -5.966 11.242) 12.727 12.369 ( 0.000 1.485 1.047) 1.817 12.456 ( -0.000 -8.065 12.187) 14.614 12.639 ( 0.000 3.506 -4.155) 5.436 12.721 ( 0.000 3.767 -7.548) 8.435 12.840 ( -0.000 -5.193 -19.190) 19.880 13.672 ( 0.000 8.359 8.992) 12.278 13.911 ( 0.000 9.238 -12.263) 15.353 14.890 ( -0.000 -6.447 23.473) 24.342 15.404 ( -0.000 -4.233 -24.151) 24.519 15.700 ( -0.000 -9.559 12.218) 15.513 15.999 ( -0.000 -6.746 -15.610) 17.005 17.499 ( -0.000 -3.388 32.220) 32.398 18.181 ( -0.000 -0.347 -32.157) 32.159 26.084 ( 0.000 5.110 8.303) 9.750 26.289 ( 0.000 2.061 -11.250) 11.437 28.577 ( -0.000 -1.670 3.806) 4.156 28.667 ( -0.000 -1.786 -4.831) 5.150 30.055 ( -0.000 -5.031 12.734) 13.692 30.268 ( -0.000 -2.294 -8.042) 8.363 ======================= Grid point 451 (140/155) ======================= q-point: ( 0.20 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 11.907 -0.000 8.335) 14.534 1.412 ( 5.571 -0.000 -11.883) 13.124 1.818 ( 0.951 -0.000 10.711) 10.753 1.986 ( -1.119 0.000 -3.327) 3.511 2.560 ( -3.368 0.000 0.392) 3.391 2.609 ( 0.241 -0.000 -3.359) 3.368 2.973 ( 2.908 -0.000 3.043) 4.209 2.983 ( 5.206 -0.000 2.269) 5.679 3.255 ( -4.408 0.000 4.236) 6.113 3.331 ( -1.477 0.000 -1.410) 2.042 3.844 ( -12.927 0.000 7.882) 15.140 4.065 ( -14.180 0.000 -11.636) 18.343 4.392 ( -0.937 0.000 6.181) 6.252 4.457 ( 1.808 -0.000 0.023) 1.808 4.765 ( 3.233 -0.000 0.818) 3.335 4.791 ( -4.471 0.000 0.455) 4.494 5.014 ( 0.420 -0.000 -3.243) 3.270 5.029 ( 0.867 -0.000 -2.571) 2.713 7.253 ( 0.598 -0.000 28.686) 28.692 7.636 ( -0.067 0.000 -12.156) 12.156 7.843 ( -3.241 0.000 17.831) 18.123 8.209 ( -4.769 0.000 -15.818) 16.521 8.606 ( 10.005 -0.000 11.337) 15.120 8.907 ( 12.313 -0.000 -15.870) 20.087 9.324 ( 7.305 -0.000 20.448) 21.713 9.808 ( 0.141 -0.000 -23.783) 23.783 11.553 ( -1.518 0.000 29.184) 29.224 11.772 ( -7.464 0.000 6.101) 9.641 12.171 ( -0.702 0.000 13.675) 13.693 12.380 ( -0.553 0.000 -0.089) 0.560 12.519 ( -2.023 0.000 3.334) 3.900 12.650 ( -6.918 0.000 -7.659) 10.320 12.891 ( 4.516 -0.000 6.093) 7.584 13.036 ( 1.547 -0.000 -4.349) 4.616 13.510 ( -0.647 0.000 -11.981) 11.999 13.531 ( 0.957 -0.000 -12.117) 12.155 15.028 ( 0.805 -0.000 21.381) 21.396 15.507 ( 2.087 -0.000 -23.233) 23.327 15.814 ( -4.449 0.000 12.735) 13.490 16.092 ( -2.666 0.000 -13.341) 13.605 17.535 ( -3.804 0.000 28.764) 29.014 18.161 ( -1.824 0.000 -30.165) 30.221 25.949 ( -0.668 0.000 12.196) 12.215 26.217 ( -1.709 0.000 -13.476) 13.584 28.638 ( 1.613 -0.000 6.419) 6.619 28.814 ( 6.889 -0.000 -10.660) 12.692 30.145 ( -1.883 0.000 9.502) 9.686 30.294 ( -0.811 0.000 -4.852) 4.919 ======================= Grid point 452 (141/155) ======================= q-point: ( 0.30 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 11.090 -3.139 7.320) 13.654 1.484 ( 5.848 -3.345 -9.590) 11.720 1.814 ( 1.641 0.812 10.884) 11.037 1.987 ( -1.610 -0.708 -3.496) 3.913 2.508 ( -2.455 3.151 1.470) 4.256 2.591 ( -1.059 2.041 -5.070) 5.568 2.898 ( 0.840 9.954 5.872) 11.587 2.963 ( 2.168 5.913 -0.023) 6.298 3.230 ( -1.963 -2.007 3.555) 4.530 3.327 ( -1.301 -0.447 -4.958) 5.145 3.825 ( -9.517 -5.011 4.701) 11.738 3.928 ( -13.022 4.153 -4.424) 14.366 4.421 ( -0.365 -4.398 5.570) 7.107 4.514 ( 3.985 -4.509 -1.545) 6.212 4.720 ( 1.611 1.850 4.794) 5.385 4.854 ( -1.270 -2.892 -4.228) 5.278 4.985 ( -0.610 0.108 1.756) 1.863 5.084 ( 2.864 -2.845 -6.264) 7.452 7.287 ( 0.057 -2.279 31.026) 31.109 7.686 ( -1.441 -4.288 -11.369) 12.236 7.944 ( -3.649 -13.038 13.074) 18.821 8.218 ( -5.072 -4.431 -11.169) 13.042 8.675 ( 4.531 -1.219 12.318) 13.181 9.003 ( 10.637 -2.037 -15.854) 19.200 9.530 ( 10.818 -16.064 13.421) 23.563 9.885 ( 1.007 -8.318 -18.592) 20.392 11.545 ( -2.515 -0.328 25.539) 25.665 11.707 ( -6.993 1.284 5.875) 9.223 12.210 ( -0.423 -3.684 11.485) 12.069 12.336 ( -1.065 5.670 4.669) 7.422 12.457 ( -3.216 1.307 3.890) 5.213 12.601 ( -3.236 1.583 -7.316) 8.155 12.885 ( 5.647 3.014 0.261) 6.406 13.005 ( 0.998 3.779 -6.349) 7.455 13.498 ( -0.905 -2.804 -3.048) 4.239 13.660 ( -1.817 -8.293 -14.576) 16.868 15.010 ( 1.514 2.724 23.273) 23.481 15.509 ( 3.136 1.695 -23.132) 23.405 15.747 ( -5.068 3.862 13.129) 14.594 16.037 ( -3.954 3.663 -13.927) 14.934 17.493 ( -2.719 1.821 30.055) 30.232 18.151 ( -1.422 -0.180 -31.721) 31.754 25.976 ( -0.953 -3.284 11.013) 11.532 26.221 ( -1.544 -1.649 -12.452) 12.655 28.636 ( 1.539 1.346 7.155) 7.441 28.836 ( 6.472 2.600 -12.216) 14.067 30.102 ( -1.831 3.048 11.164) 11.717 30.281 ( -0.834 0.887 -6.179) 6.298 ======================= Grid point 453 (142/155) ======================= q-point: ( 0.40 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 8.945 -5.262 6.973) 12.503 1.596 ( 4.605 -4.857 -7.455) 10.019 1.810 ( 1.907 1.472 11.001) 11.262 1.986 ( -1.334 -0.213 -3.812) 4.044 2.425 ( -1.439 4.268 2.175) 5.002 2.519 ( -1.496 4.837 -5.551) 7.514 2.682 ( -3.209 10.829 6.188) 12.879 2.807 ( -0.379 10.740 -4.662) 11.715 3.277 ( -1.229 -2.956 1.544) 3.554 3.338 ( -0.477 -0.995 -4.362) 4.500 3.782 ( -6.815 4.040 3.207) 8.547 3.846 ( -3.021 -0.954 -2.565) 4.076 4.542 ( 2.528 -6.572 8.310) 10.892 4.638 ( 5.563 -3.770 0.194) 6.723 4.738 ( 4.016 -2.656 3.145) 5.751 4.861 ( -1.449 -0.301 -5.500) 5.696 5.022 ( -0.667 -3.321 4.764) 5.845 5.147 ( 4.414 -0.885 -7.585) 8.820 7.312 ( -0.837 -0.778 32.790) 32.810 7.728 ( -3.038 -1.644 -10.476) 11.031 8.226 ( -5.498 -18.701 4.026) 19.904 8.302 ( -4.294 -8.625 -1.469) 9.746 8.700 ( -1.510 -0.803 14.647) 14.746 9.108 ( 5.932 -3.051 -19.074) 20.207 10.009 ( 10.040 -26.405 3.975) 28.528 10.140 ( 2.375 -18.852 -7.665) 20.488 11.518 ( -3.644 1.318 19.493) 19.875 11.651 ( -3.194 0.986 2.921) 4.439 12.137 ( -0.713 9.936 11.822) 15.459 12.285 ( 0.594 -0.165 5.223) 5.260 12.515 ( -2.161 -3.124 -0.305) 3.811 12.528 ( -3.833 -1.442 -4.852) 6.350 12.868 ( 5.468 2.281 1.332) 6.072 12.998 ( 5.310 -2.952 -8.346) 10.323 13.548 ( -5.114 -3.815 4.557) 7.841 13.775 ( -4.058 -6.205 -14.435) 16.228 14.956 ( 2.854 4.569 26.066) 26.617 15.488 ( 4.491 3.413 -21.803) 22.521 15.604 ( -4.370 8.549 11.485) 14.970 15.908 ( -5.340 7.014 -15.471) 17.806 17.449 ( -1.143 1.312 32.014) 32.061 18.151 ( -0.727 -0.632 -33.658) 33.671 26.043 ( -1.316 -4.511 9.273) 10.396 26.255 ( -1.052 -2.835 -11.053) 11.459 28.611 ( 1.140 2.236 6.921) 7.362 28.804 ( 4.552 4.670 -11.773) 13.459 30.023 ( -1.258 4.190 13.684) 14.366 30.251 ( -0.611 1.907 -8.418) 8.653 ======================= Grid point 454 (143/155) ======================= q-point: ( 0.50 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 6.307 -5.358 6.172) 10.324 1.714 ( 2.942 -5.098 -5.857) 8.303 1.775 ( 0.253 2.951 10.425) 10.837 1.969 ( -0.608 1.637 -5.596) 5.862 2.343 ( 0.028 3.833 2.752) 4.719 2.401 ( -1.186 6.546 -1.966) 6.938 2.505 ( -5.045 5.143 1.060) 7.282 2.614 ( -1.104 8.682 -7.058) 11.243 3.299 ( -0.899 -0.221 1.890) 2.105 3.351 ( 1.504 -0.283 -3.115) 3.471 3.689 ( -3.139 2.993 5.053) 6.659 3.809 ( 0.521 4.084 -5.755) 7.076 4.614 ( 2.259 0.471 9.619) 9.892 4.722 ( 5.005 -0.610 0.091) 5.043 4.842 ( 6.989 -2.124 2.789) 7.819 4.888 ( 1.115 -3.761 -0.717) 3.987 5.068 ( -2.585 -2.995 2.115) 4.486 5.164 ( 2.172 1.282 -7.711) 8.113 7.315 ( -0.897 -0.494 32.528) 32.544 7.719 ( -2.652 0.028 -9.438) 9.803 8.413 ( -3.678 -8.886 8.087) 12.566 8.540 ( -2.218 -13.634 -0.627) 13.828 8.713 ( -5.400 -4.831 12.116) 14.117 9.190 ( 1.628 -3.336 -23.498) 23.789 10.503 ( 3.770 -22.632 6.733) 23.911 10.611 ( 4.487 -26.588 -3.834) 27.235 11.445 ( -2.353 4.775 15.186) 16.092 11.618 ( 0.392 2.109 -3.725) 4.298 11.976 ( -0.675 6.355 13.823) 15.228 12.247 ( 2.069 6.057 -7.037) 9.512 12.448 ( -4.425 -1.281 5.870) 7.462 12.614 ( -3.341 -1.369 -6.869) 7.760 13.000 ( 7.775 -13.293 8.721) 17.698 13.171 ( 7.056 -10.639 -6.631) 14.386 13.561 ( -7.847 -2.503 9.289) 12.415 13.826 ( -5.300 -2.553 -14.198) 15.369 14.889 ( 3.941 4.890 28.183) 28.875 15.361 ( -4.110 13.541 13.666) 19.673 15.452 ( 5.823 5.727 -22.396) 23.839 15.726 ( -6.063 8.049 -20.497) 22.840 17.432 ( -0.293 0.038 33.612) 33.613 18.163 ( -0.246 -0.973 -34.679) 34.694 26.114 ( -1.152 -3.996 8.279) 9.265 26.305 ( -0.524 -3.011 -10.166) 10.616 28.574 ( 0.648 2.277 5.840) 6.302 28.736 ( 2.326 5.001 -9.676) 11.138 29.943 ( -0.610 3.738 15.510) 15.965 30.208 ( -0.295 2.218 -10.290) 10.530 ======================= Grid point 455 (144/155) ======================= q-point: ( 0.60 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 1.954 0.165 8.740) 8.957 1.722 ( 0.017 0.921 6.072) 6.141 1.814 ( 1.449 -3.751 -7.054) 8.120 1.914 ( -0.426 3.871 -7.877) 8.787 2.281 ( -2.088 3.824 1.929) 4.765 2.315 ( 2.492 0.990 2.494) 3.662 2.413 ( -4.887 1.499 -1.391) 5.297 2.514 ( 0.334 1.614 -7.895) 8.065 3.285 ( 1.348 1.526 3.895) 4.396 3.367 ( 3.536 0.546 -3.627) 5.095 3.621 ( -3.514 1.904 3.786) 5.505 3.721 ( 0.876 5.455 -5.070) 7.498 4.582 ( -0.716 3.177 9.005) 9.576 4.710 ( 0.565 2.630 -1.987) 3.345 4.855 ( 4.751 4.279 6.299) 8.976 4.983 ( 5.872 -1.535 -1.838) 6.341 5.090 ( -0.898 0.294 0.210) 0.968 5.157 ( -3.448 -2.220 -4.688) 6.228 7.325 ( -0.375 -1.039 32.060) 32.079 7.710 ( -0.878 -0.762 -8.390) 8.470 8.544 ( -1.690 -7.020 12.730) 14.635 8.667 ( 1.165 -3.550 17.826) 18.213 8.850 ( -4.988 -11.005 -9.567) 15.411 9.255 ( 0.079 -3.051 -26.008) 26.186 10.897 ( 1.519 -17.944 12.058) 21.672 11.047 ( 2.267 -17.922 -2.774) 18.277 11.302 ( -1.731 9.415 14.398) 17.290 11.553 ( 1.407 6.680 -10.764) 12.746 11.905 ( -0.073 1.276 10.525) 10.602 12.135 ( 0.591 5.244 -9.024) 10.454 12.488 ( -3.493 -3.150 7.138) 8.548 12.603 ( -0.424 -1.198 -2.971) 3.231 13.315 ( 8.806 -8.609 9.915) 15.810 13.455 ( 5.119 -14.845 -0.989) 15.734 13.572 ( -6.784 -7.423 5.592) 11.506 13.785 ( -6.232 3.130 -11.552) 13.494 14.849 ( 4.473 1.860 27.443) 27.867 15.058 ( -4.251 14.964 17.820) 23.655 15.367 ( 3.671 7.286 -20.443) 22.011 15.576 ( -3.792 3.531 -29.058) 29.516 17.438 ( -0.025 -0.513 34.605) 34.609 18.180 ( -0.049 -0.785 -34.816) 34.825 26.170 ( -0.522 -2.732 7.790) 8.272 26.350 ( -0.151 -2.026 -9.701) 9.911 28.541 ( 0.226 1.583 4.618) 4.887 28.665 ( 0.743 3.559 -7.236) 8.098 29.885 ( -0.186 2.104 16.386) 16.521 30.172 ( -0.084 1.448 -11.408) 11.500 ======================= Grid point 456 (145/155) ======================= q-point: (-0.30 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -0.981 4.188 9.994) 10.880 1.733 ( 0.613 0.090 4.859) 4.898 1.826 ( -0.266 4.994 -9.559) 10.788 1.880 ( 0.225 -2.973 -8.705) 9.201 2.214 ( -0.978 1.559 5.121) 5.442 2.345 ( 1.174 -0.834 -5.792) 5.969 2.415 ( -1.432 -5.166 4.058) 6.724 2.545 ( 0.712 -4.086 -7.178) 8.290 3.262 ( 1.672 2.526 5.349) 6.147 3.373 ( 3.529 1.459 -4.718) 6.070 3.588 ( -2.966 -1.072 1.690) 3.578 3.644 ( -0.935 1.922 -3.060) 3.732 4.522 ( -1.682 1.328 9.115) 9.363 4.672 ( -0.672 0.702 -3.468) 3.601 4.777 ( 1.194 6.094 7.241) 9.539 4.962 ( 3.080 5.893 -11.132) 12.966 5.080 ( -1.133 0.333 6.868) 6.969 5.177 ( -1.618 -0.846 -2.114) 2.794 7.343 ( 0.045 -0.829 32.858) 32.869 7.738 ( 0.298 -2.361 -8.462) 8.791 8.628 ( -0.221 -2.562 15.458) 15.671 8.749 ( 1.987 -3.990 20.713) 21.187 8.974 ( -1.940 -4.619 -15.656) 16.438 9.289 ( 0.102 -0.074 -24.927) 24.928 11.057 ( -0.414 14.925 15.214) 21.317 11.180 ( 0.234 -12.279 13.273) 18.083 11.319 ( 0.971 -8.800 -1.465) 8.974 11.368 ( -0.837 12.635 -14.263) 19.073 11.911 ( 0.497 -1.237 7.150) 7.274 12.100 ( 0.672 -1.118 -8.504) 8.603 12.468 ( -2.507 2.146 10.611) 11.112 12.668 ( 0.798 -4.041 -6.824) 7.970 13.299 ( 0.511 9.664 14.523) 17.452 13.548 ( 1.014 13.357 -9.515) 16.431 13.726 ( -1.502 -9.112 7.881) 12.140 13.850 ( 0.765 -14.705 -4.563) 15.416 14.772 ( -0.053 9.252 20.595) 22.578 14.957 ( 0.157 -8.419 25.867) 27.203 15.268 ( 0.248 3.687 -23.951) 24.234 15.561 ( -0.563 -3.258 -29.597) 29.781 17.445 ( 0.042 -0.196 35.011) 35.012 18.188 ( 0.012 -0.135 -34.640) 34.641 26.205 ( 0.013 -1.134 7.080) 7.170 26.372 ( 0.024 -0.327 -9.224) 9.230 28.522 ( -0.021 0.486 3.914) 3.944 28.622 ( -0.007 1.363 -5.570) 5.735 29.867 ( -0.005 -0.288 16.524) 16.527 30.159 ( 0.001 -0.141 -11.737) 11.738 ======================= Grid point 457 (146/155) ======================= q-point: (-0.20 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 0.000 6.417 10.107) 11.972 1.723 ( 0.000 6.032 -9.345) 11.123 1.724 ( 0.000 0.878 8.477) 8.522 1.935 ( -0.000 -2.685 -11.099) 11.419 2.226 ( -0.000 -3.121 5.363) 6.205 2.375 ( -0.000 -2.845 -8.301) 8.775 2.549 ( -0.000 -9.047 4.474) 10.093 2.657 ( -0.000 -7.435 -5.580) 9.295 3.206 ( 0.000 3.722 6.870) 7.813 3.353 ( 0.000 2.058 -6.475) 6.794 3.613 ( -0.000 -3.461 3.027) 4.598 3.699 ( -0.000 -7.971 -4.867) 9.339 4.532 ( -0.000 -2.369 9.646) 9.932 4.656 ( 0.000 6.753 5.802) 8.903 4.683 ( -0.000 -1.141 -1.532) 1.911 4.870 ( 0.000 3.932 -12.749) 13.342 5.035 ( 0.000 3.962 8.185) 9.093 5.158 ( 0.000 2.345 -2.962) 3.778 7.352 ( -0.000 -0.211 34.634) 34.634 7.789 ( -0.000 -2.756 -9.940) 10.315 8.630 ( 0.000 2.244 16.377) 16.530 8.813 ( -0.000 -1.542 18.046) 18.111 8.992 ( 0.000 1.858 -17.830) 17.926 9.230 ( 0.000 7.391 -18.371) 19.802 10.718 ( 0.000 21.856 11.937) 24.904 11.008 ( 0.000 24.318 -15.659) 28.924 11.382 ( -0.000 -9.570 14.073) 17.019 11.491 ( -0.000 -8.080 1.901) 8.300 11.955 ( -0.000 -3.764 7.731) 8.598 12.173 ( -0.000 -6.178 -11.077) 12.684 12.406 ( 0.000 3.080 15.436) 15.740 12.730 ( -0.000 -2.415 -13.065) 13.286 13.059 ( 0.000 15.248 10.515) 18.522 13.230 ( 0.000 19.214 -6.008) 20.131 13.825 ( -0.000 -1.470 12.174) 12.263 14.035 ( -0.000 -4.574 -8.077) 9.282 14.693 ( -0.000 -0.752 24.744) 24.756 15.195 ( -0.000 -15.753 19.564) 25.118 15.254 ( -0.000 -1.927 -26.381) 26.452 15.675 ( -0.000 -8.714 -24.736) 26.226 17.446 ( -0.000 -0.070 34.938) 34.938 18.185 ( 0.000 0.358 -34.434) 34.436 26.207 ( 0.000 0.973 6.195) 6.271 26.362 ( 0.000 1.331 -8.820) 8.920 28.524 ( -0.000 -0.721 3.732) 3.801 28.615 ( -0.000 -0.499 -4.848) 4.874 29.896 ( -0.000 -2.776 16.048) 16.286 30.178 ( -0.000 -1.808 -11.295) 11.438 ======================= Grid point 462 (147/155) ======================= q-point: ( 0.30 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 11.672 -0.000 5.413) 12.866 1.496 ( 6.920 -0.000 -7.823) 10.445 1.822 ( -0.470 0.000 9.338) 9.349 1.966 ( -1.921 0.000 -1.962) 2.746 2.525 ( -1.904 0.000 0.797) 2.064 2.600 ( -1.436 0.000 -4.500) 4.724 3.029 ( 5.401 -0.000 2.746) 6.059 3.048 ( 4.374 -0.000 1.929) 4.780 3.197 ( -4.037 0.000 5.393) 6.736 3.307 ( -2.224 0.000 -3.419) 4.079 3.681 ( -11.122 0.000 6.318) 12.791 3.856 ( -16.331 0.000 -9.238) 18.763 4.370 ( -1.687 0.000 7.479) 7.666 4.484 ( 2.526 -0.000 -1.102) 2.756 4.731 ( -4.948 0.000 5.443) 7.356 4.827 ( 5.055 -0.000 -0.315) 5.065 5.014 ( -2.666 0.000 -6.081) 6.640 5.026 ( 1.494 -0.000 -6.190) 6.368 7.267 ( 1.426 -0.000 29.874) 29.908 7.646 ( 1.610 -0.000 -11.132) 11.248 7.811 ( -1.695 0.000 15.736) 15.827 8.147 ( -4.561 0.000 -15.131) 15.804 8.700 ( 4.229 -0.000 14.537) 15.139 9.062 ( 10.543 -0.000 -16.763) 19.803 9.450 ( 11.119 -0.000 15.671) 19.215 9.817 ( 1.205 -0.000 -18.562) 18.601 11.524 ( -2.793 0.000 24.788) 24.945 11.666 ( -8.125 0.000 6.127) 10.176 12.159 ( -0.908 0.000 13.198) 13.229 12.360 ( -2.056 0.000 -2.569) 3.290 12.509 ( 0.207 -0.000 7.049) 7.052 12.570 ( -5.111 0.000 -3.432) 6.156 12.946 ( 3.556 -0.000 3.720) 5.146 13.039 ( -0.855 0.000 -1.722) 1.922 13.503 ( -0.445 0.000 -12.305) 12.313 13.555 ( 2.535 -0.000 -14.700) 14.917 15.042 ( 1.264 -0.000 23.671) 23.705 15.544 ( 3.459 -0.000 -23.423) 23.677 15.742 ( -6.169 0.000 14.479) 15.739 16.043 ( -4.620 0.000 -14.048) 14.788 17.492 ( -2.620 0.000 29.177) 29.294 18.140 ( -1.299 0.000 -31.470) 31.497 25.940 ( -0.627 0.000 11.712) 11.729 26.195 ( -1.490 0.000 -12.731) 12.818 28.659 ( 1.563 -0.000 8.624) 8.765 28.906 ( 6.659 -0.000 -15.344) 16.726 30.118 ( -2.165 0.000 10.604) 10.823 30.283 ( -0.854 0.000 -5.353) 5.421 ======================= Grid point 463 (148/155) ======================= q-point: ( 0.40 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 9.615 -2.024 4.879) 10.971 1.564 ( 5.981 -2.369 -6.525) 9.163 1.823 ( -0.504 -0.480 9.700) 9.725 1.963 ( -1.725 -0.869 -1.408) 2.390 2.483 ( -1.281 3.053 1.090) 3.485 2.571 ( -1.633 2.171 -5.539) 6.169 2.908 ( 0.602 13.453 6.995) 15.175 3.003 ( 3.669 8.457 -1.950) 9.423 3.197 ( -2.676 -3.350 3.911) 5.804 3.304 ( -2.218 -1.223 -5.925) 6.444 3.708 ( -8.494 -6.624 3.316) 11.270 3.776 ( -8.634 -1.858 -3.489) 9.496 4.422 ( 0.849 -6.510 7.905) 10.275 4.563 ( 3.498 -5.988 -2.095) 7.245 4.712 ( -3.170 -1.380 5.365) 6.382 4.859 ( 1.741 0.405 -3.629) 4.045 4.972 ( -1.144 -0.906 1.381) 2.009 5.115 ( 1.970 -4.886 -9.727) 11.062 7.291 ( 0.404 -1.157 31.502) 31.526 7.679 ( 0.252 -1.919 -10.209) 10.391 7.907 ( -1.980 -11.428 11.197) 16.122 8.159 ( -3.746 -4.445 -11.597) 12.973 8.708 ( 1.008 1.181 16.432) 16.505 9.124 ( 7.308 -0.266 -18.605) 19.990 9.674 ( 10.078 -16.011 9.635) 21.231 9.904 ( 1.861 -8.763 -11.933) 14.922 11.503 ( -3.692 0.214 21.142) 21.463 11.622 ( -5.528 -0.706 4.889) 7.413 12.205 ( -0.233 -4.525 11.243) 12.121 12.327 ( -0.074 5.722 4.946) 7.564 12.415 ( -3.241 1.306 4.382) 5.604 12.569 ( -1.573 1.204 -4.902) 5.288 12.946 ( 3.136 2.185 1.078) 3.971 13.013 ( 0.619 1.284 -2.798) 3.140 13.486 ( -1.051 -0.256 -5.477) 5.582 13.646 ( -0.249 -5.799 -16.494) 17.486 15.032 ( 1.754 2.101 25.832) 25.977 15.558 ( 4.202 1.213 -22.583) 23.003 15.675 ( -5.405 3.117 13.037) 14.453 15.974 ( -5.294 4.003 -14.175) 15.652 17.465 ( -1.451 1.174 30.022) 30.080 18.136 ( -0.789 -0.413 -32.627) 32.639 25.965 ( -0.720 -2.973 10.844) 11.267 26.203 ( -1.104 -1.812 -12.033) 12.219 28.655 ( 1.208 1.510 9.021) 9.226 28.915 ( 5.096 3.417 -16.210) 17.333 30.078 ( -1.694 2.673 12.167) 12.572 30.271 ( -0.698 0.805 -6.552) 6.638 ======================= Grid point 464 (149/155) ======================= q-point: ( 0.50 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 6.520 -4.106 4.348) 8.847 1.652 ( 3.640 -3.690 -5.439) 7.513 1.818 ( -0.534 1.180 11.205) 11.280 1.969 ( -0.939 -0.631 -1.122) 1.594 2.411 ( -0.654 3.868 0.699) 3.984 2.500 ( -1.071 4.467 -6.940) 8.323 2.651 ( -1.525 12.976 7.924) 15.281 2.809 ( 0.423 12.506 -6.657) 14.174 3.251 ( -2.094 -3.466 2.803) 4.925 3.329 ( -0.699 -2.185 -4.599) 5.139 3.702 ( -4.625 0.329 5.662) 7.318 3.823 ( -1.002 -2.820 -5.225) 6.022 4.593 ( 5.015 -7.378 9.265) 12.862 4.689 ( 1.393 -4.534 3.989) 6.197 4.774 ( 1.340 -7.787 -2.333) 8.239 4.843 ( -0.871 0.851 -4.439) 4.603 5.012 ( -0.619 -2.289 6.426) 6.849 5.193 ( 2.444 -1.324 -10.160) 10.533 7.303 ( -0.483 -0.361 32.180) 32.185 7.698 ( -1.505 -0.590 -9.407) 9.545 8.167 ( -3.226 -16.687 3.873) 17.432 8.264 ( -1.711 -9.761 -4.525) 10.894 8.678 ( -1.509 1.513 18.715) 18.837 9.167 ( 2.923 -0.798 -22.228) 22.433 10.113 ( 4.951 -23.449 3.386) 24.204 10.177 ( 3.131 -20.602 -2.609) 21.001 11.471 ( -3.085 0.739 17.046) 17.338 11.619 ( -1.642 -1.175 0.385) 2.055 12.137 ( 0.557 10.604 14.114) 17.662 12.297 ( 0.909 -2.584 8.580) 9.006 12.478 ( -2.634 4.803 -8.638) 10.229 12.489 ( -2.302 -6.590 -2.243) 7.332 12.924 ( 2.937 -0.030 5.754) 6.460 13.063 ( 4.178 -5.258 -6.566) 9.393 13.484 ( -4.114 -1.148 3.413) 5.467 13.733 ( -2.120 -4.459 -16.897) 17.603 14.992 ( 2.293 3.736 28.483) 28.818 15.528 ( -1.239 6.751 5.990) 9.110 15.576 ( 3.043 3.792 -17.833) 18.484 15.829 ( -6.014 7.567 -14.461) 17.394 17.439 ( -0.449 0.854 31.690) 31.704 18.144 ( -0.311 -0.849 -34.077) 34.089 26.029 ( -0.764 -4.310 9.566) 10.520 26.243 ( -0.596 -3.058 -11.085) 11.515 28.623 ( 0.686 2.445 8.052) 8.443 28.854 ( 2.747 5.722 -14.278) 15.626 30.008 ( -0.859 3.780 14.284) 14.801 30.244 ( -0.384 1.748 -8.597) 8.781 ======================= Grid point 465 (150/155) ======================= q-point: ( 0.60 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 3.219 -4.202 3.391) 6.287 1.743 ( 1.367 -4.316 -4.634) 6.479 1.768 ( -0.926 3.348 11.808) 12.308 1.963 ( -0.313 1.339 -3.997) 4.227 2.339 ( -0.373 3.724 0.460) 3.771 2.405 ( 1.408 5.599 -2.976) 6.495 2.448 ( -3.343 6.807 3.881) 8.519 2.607 ( -0.135 8.613 -8.327) 11.981 3.284 ( -0.865 -1.421 3.502) 3.877 3.368 ( 0.822 -1.876 -4.492) 4.937 3.654 ( -1.613 2.760 7.390) 8.052 3.818 ( 0.501 3.167 -7.489) 8.147 4.640 ( 1.254 2.251 9.373) 9.721 4.774 ( 2.544 2.538 -2.685) 4.485 4.884 ( -0.331 -9.251 4.633) 10.351 4.938 ( 6.396 -3.204 1.859) 7.391 5.017 ( -4.990 -2.327 3.261) 6.400 5.185 ( 0.867 3.326 -10.448) 10.999 7.307 ( -0.345 -0.561 31.873) 31.880 7.694 ( -0.983 -0.318 -8.664) 8.725 8.376 ( -1.547 -9.819 6.794) 12.040 8.531 ( 0.250 -16.536 -6.844) 17.898 8.655 ( -2.830 -1.297 20.023) 20.264 9.203 ( 0.458 -2.257 -25.384) 25.488 10.532 ( 0.947 -22.015 8.995) 23.801 10.660 ( 2.225 -25.462 -3.490) 25.796 11.422 ( -1.007 3.966 15.042) 15.589 11.624 ( 0.295 0.801 -6.141) 6.199 11.972 ( -0.049 6.739 14.808) 16.270 12.278 ( 2.119 8.632 -10.704) 13.913 12.392 ( -3.197 -3.592 9.461) 10.613 12.581 ( -1.387 -2.108 -6.720) 7.178 13.080 ( 3.522 -15.011 9.667) 18.199 13.251 ( 4.312 -11.899 -6.401) 14.183 13.469 ( -4.960 -0.429 10.234) 11.381 13.774 ( -2.191 -1.286 -16.441) 16.636 14.931 ( 1.938 4.162 30.296) 30.642 15.316 ( -2.129 13.918 12.710) 18.968 15.539 ( 7.146 5.902 -22.616) 24.442 15.637 ( -7.226 7.491 -20.464) 22.959 17.430 ( -0.066 -0.106 33.367) 33.367 18.161 ( -0.070 -1.071 -34.826) 34.842 26.103 ( -0.421 -4.082 8.655) 9.578 26.300 ( -0.191 -3.176 -10.364) 10.841 28.580 ( 0.242 2.439 6.290) 6.751 28.757 ( 0.871 5.735 -10.753) 12.218 29.937 ( -0.246 3.499 15.751) 16.137 30.206 ( -0.113 2.106 -10.354) 10.566 ======================= Grid point 466 (151/155) ======================= q-point: ( 0.70 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 0.000 3.941 11.654) 12.303 1.723 ( -0.000 -1.775 3.042) 3.522 1.824 ( -0.000 -3.552 -6.874) 7.737 1.911 ( 0.000 4.021 -7.935) 8.896 2.265 ( 0.000 3.901 2.368) 4.564 2.352 ( 0.000 0.357 6.949) 6.958 2.361 ( 0.000 1.593 -5.662) 5.882 2.516 ( 0.000 1.288 -8.454) 8.552 3.294 ( 0.000 0.251 4.656) 4.663 3.395 ( -0.000 -0.399 -4.785) 4.802 3.593 ( 0.000 2.590 5.859) 6.406 3.729 ( 0.000 6.022 -6.482) 8.848 4.576 ( 0.000 4.373 9.095) 10.091 4.713 ( 0.000 3.615 -2.888) 4.627 4.891 ( 0.000 5.779 7.891) 9.781 5.030 ( -0.000 -5.318 6.159) 8.137 5.093 ( 0.000 6.311 -11.657) 13.256 5.113 ( -0.000 -5.405 -1.697) 5.665 7.322 ( -0.000 -1.195 31.911) 31.933 7.705 ( -0.000 -1.284 -8.178) 8.278 8.532 ( -0.000 -7.406 12.437) 14.475 8.681 ( -0.000 -3.461 22.966) 23.225 8.811 ( -0.000 -12.274 -14.053) 18.659 9.255 ( -0.000 -2.952 -26.770) 26.932 10.906 ( -0.000 -17.834 12.654) 21.867 11.065 ( -0.000 -17.770 -3.159) 18.049 11.290 ( 0.000 10.164 15.371) 18.427 11.563 ( 0.000 6.793 -11.776) 13.595 11.905 ( 0.000 0.935 10.478) 10.519 12.140 ( 0.000 5.402 -9.660) 11.067 12.461 ( -0.000 -2.754 8.484) 8.919 12.600 ( -0.000 -2.310 -3.587) 4.266 13.422 ( 0.000 3.482 15.105) 15.501 13.438 ( -0.000 -19.680 5.868) 20.537 13.540 ( -0.000 -16.958 -4.006) 17.425 13.734 ( 0.000 5.377 -13.984) 14.982 14.887 ( 0.000 0.503 30.050) 30.054 15.022 ( 0.000 16.203 15.459) 22.394 15.398 ( 0.000 9.618 -18.472) 20.826 15.544 ( 0.000 1.310 -31.001) 31.029 17.438 ( -0.000 -0.546 34.517) 34.521 18.179 ( -0.000 -0.811 -34.847) 34.857 26.167 ( -0.000 -2.897 7.940) 8.452 26.349 ( -0.000 -2.103 -9.795) 10.018 28.543 ( 0.000 1.677 4.711) 5.001 28.670 ( 0.000 3.863 -7.484) 8.422 29.884 ( 0.000 2.023 16.441) 16.565 30.172 ( 0.000 1.409 -11.421) 11.508 ======================= Grid point 474 (152/155) ======================= q-point: ( 0.40 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 7.659 -0.000 3.650) 8.484 1.584 ( 5.919 -0.000 -5.765) 8.263 1.805 ( -1.924 0.000 8.888) 9.094 1.939 ( -1.934 0.000 -1.692) 2.569 2.509 ( -0.560 0.000 0.878) 1.042 2.578 ( -1.582 0.000 -3.612) 3.943 3.095 ( 2.794 -0.000 3.015) 4.111 3.106 ( 5.735 -0.000 1.221) 5.864 3.153 ( -2.623 0.000 5.850) 6.411 3.272 ( -2.988 0.000 -4.888) 5.729 3.563 ( -6.468 0.000 3.689) 7.446 3.668 ( -10.972 0.000 -6.450) 12.728 4.356 ( -0.505 0.000 8.622) 8.637 4.525 ( 3.644 -0.000 -2.566) 4.457 4.661 ( -5.451 0.000 7.751) 9.476 4.878 ( 2.084 -0.000 -1.291) 2.451 4.978 ( -1.924 0.000 -7.798) 8.032 5.048 ( 1.514 -0.000 -7.536) 7.687 7.285 ( 1.189 -0.000 31.598) 31.620 7.672 ( 1.953 -0.000 -10.122) 10.308 7.796 ( -0.713 0.000 13.047) 13.066 8.094 ( -3.191 0.000 -14.654) 14.998 8.730 ( 0.877 -0.000 17.494) 17.516 9.171 ( 5.693 -0.000 -19.876) 20.675 9.587 ( 8.362 -0.000 12.203) 14.793 9.837 ( 1.668 -0.000 -12.053) 12.168 11.486 ( -2.664 0.000 20.499) 20.671 11.571 ( -5.549 0.000 5.481) 7.799 12.149 ( -0.529 0.000 12.657) 12.668 12.336 ( -1.395 0.000 -3.407) 3.681 12.515 ( 0.468 -0.000 9.079) 9.091 12.519 ( -2.600 0.000 0.754) 2.707 12.982 ( 1.902 -0.000 1.627) 2.503 13.023 ( -1.215 0.000 0.371) 1.270 13.499 ( -0.153 0.000 -12.148) 12.149 13.589 ( 2.196 -0.000 -17.064) 17.205 15.059 ( 1.166 -0.000 26.528) 26.554 15.593 ( 3.470 -0.000 -23.830) 24.081 15.665 ( -4.809 0.000 15.217) 15.959 15.979 ( -4.476 0.000 -14.633) 15.302 17.468 ( -1.083 0.000 29.196) 29.216 18.128 ( -0.547 0.000 -32.295) 32.299 25.933 ( -0.368 0.000 11.351) 11.357 26.179 ( -0.829 0.000 -12.273) 12.301 28.676 ( 0.942 -0.000 10.370) 10.413 28.979 ( 4.055 -0.000 -19.086) 19.511 30.092 ( -1.507 0.000 11.812) 11.908 30.273 ( -0.549 0.000 -5.797) 5.823 ======================= Grid point 475 (153/155) ======================= q-point: ( 0.50 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 4.009 -1.564 3.345) 5.451 1.630 ( 3.279 -1.449 -5.694) 6.728 1.805 ( -1.497 -1.139 10.506) 10.674 1.946 ( -0.704 -1.347 -1.057) 1.851 2.472 ( -0.403 3.137 0.938) 3.299 2.555 ( -0.627 1.987 -5.536) 5.915 2.913 ( 0.136 15.025 8.202) 17.118 3.047 ( 2.208 11.259 -4.339) 12.267 3.168 ( -1.334 -3.490 4.333) 5.721 3.277 ( -1.471 -2.366 -5.883) 6.509 3.616 ( -4.175 -6.203 4.244) 8.598 3.708 ( -2.250 -7.477 -4.357) 8.942 4.438 ( 1.044 -8.846 8.050) 12.006 4.608 ( 3.364 -5.686 -1.513) 6.778 4.658 ( -4.160 -3.144 6.028) 7.970 4.876 ( 0.457 1.694 -6.370) 6.607 4.962 ( -0.256 -1.710 3.066) 3.520 5.135 ( 0.812 -5.624 -11.087) 12.459 7.296 ( 0.236 -0.330 32.205) 32.207 7.686 ( 0.469 -0.258 -9.524) 9.539 7.890 ( -0.690 -10.534 9.834) 14.427 8.124 ( -1.443 -4.932 -11.829) 12.897 8.713 ( -0.005 2.099 18.657) 18.775 9.190 ( 2.509 0.834 -21.621) 21.782 9.772 ( 4.018 -15.093 8.133) 17.609 9.927 ( 1.157 -9.006 -6.829) 11.361 11.461 ( -1.969 0.592 18.037) 18.154 11.570 ( -2.053 -2.354 3.916) 5.009 12.204 ( 0.021 -5.477 11.239) 12.503 12.338 ( 1.683 5.912 6.633) 9.043 12.372 ( -3.046 1.208 3.416) 4.733 12.557 ( -0.366 1.470 -3.147) 3.493 12.965 ( 0.289 2.290 2.936) 3.734 13.026 ( 0.908 -1.232 -2.312) 2.772 13.474 ( -0.571 1.468 -6.429) 6.619 13.648 ( 0.244 -4.019 -18.199) 18.639 15.051 ( 0.873 1.669 28.205) 28.268 15.605 ( 1.377 1.873 -5.485) 5.957 15.623 ( -1.276 1.244 -4.981) 5.290 15.913 ( -3.061 4.522 -13.874) 14.910 17.453 ( -0.393 0.890 29.878) 29.894 18.130 ( -0.219 -0.511 -33.077) 33.081 25.958 ( -0.263 -2.794 10.740) 11.101 26.193 ( -0.392 -1.900 -11.839) 11.997 28.666 ( 0.453 1.610 10.153) 10.290 28.962 ( 1.928 3.926 -18.679) 19.184 30.061 ( -0.705 2.407 12.974) 13.214 30.264 ( -0.272 0.748 -6.805) 6.852 ======================= Grid point 476 (154/155) ======================= q-point: ( 0.60 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -0.000 -3.802 2.846) 4.749 1.680 ( -0.000 -2.996 -5.425) 6.197 1.809 ( 0.000 0.867 12.770) 12.799 1.963 ( -0.000 -0.681 -0.405) 0.792 2.407 ( 0.000 3.724 0.096) 3.725 2.493 ( 0.000 4.338 -7.731) 8.865 2.641 ( 0.000 13.756 8.806) 16.333 2.813 ( 0.000 13.212 -7.423) 15.154 3.235 ( -0.000 -3.543 3.560) 5.022 3.324 ( -0.000 -2.858 -4.830) 5.612 3.670 ( -0.000 -0.916 6.851) 6.912 3.816 ( -0.000 -3.581 -6.325) 7.268 4.658 ( -0.000 -13.159 6.171) 14.534 4.665 ( -0.000 -0.291 10.706) 10.710 4.785 ( -0.000 -10.354 -5.583) 11.763 4.837 ( 0.000 2.456 -5.314) 5.854 5.008 ( -0.000 -1.641 7.378) 7.558 5.210 ( -0.000 -1.505 -11.022) 11.124 7.300 ( -0.000 -0.170 32.030) 32.030 7.688 ( -0.000 -0.035 -8.964) 8.964 8.145 ( -0.000 -15.819 3.956) 16.306 8.253 ( -0.000 -10.404 -5.978) 12.000 8.667 ( 0.000 2.329 20.337) 20.469 9.186 ( 0.000 0.032 -23.546) 23.546 10.142 ( -0.000 -21.229 4.307) 21.662 10.204 ( -0.000 -22.161 -1.645) 22.222 11.449 ( 0.000 0.340 16.255) 16.259 11.608 ( -0.000 -2.006 -0.873) 2.188 12.143 ( 0.000 11.091 15.388) 18.969 12.303 ( -0.000 -4.397 11.070) 11.911 12.460 ( 0.000 8.302 -10.757) 13.589 12.471 ( -0.000 -8.252 -3.632) 9.016 12.944 ( -0.000 -1.404 7.680) 7.807 13.094 ( -0.000 -6.242 -6.284) 8.857 13.454 ( 0.000 0.258 3.198) 3.208 13.719 ( -0.000 -3.639 -18.116) 18.478 15.008 ( 0.000 3.364 29.809) 29.998 15.509 ( 0.000 7.900 12.648) 14.912 15.616 ( 0.000 1.049 -27.401) 27.421 15.778 ( 0.000 8.828 -12.131) 15.003 17.436 ( 0.000 0.722 31.544) 31.552 18.142 ( -0.000 -0.910 -34.216) 34.228 26.024 ( -0.000 -4.237 9.667) 10.555 26.239 ( -0.000 -3.135 -11.108) 11.541 28.628 ( 0.000 2.524 8.476) 8.844 28.873 ( 0.000 6.123 -15.231) 16.416 30.002 ( 0.000 3.608 14.557) 14.997 30.241 ( 0.000 1.685 -8.670) 8.833 ======================= Grid point 487 (155/155) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 0.000 -0.000 3.191) 3.191 1.630 ( 0.000 -0.000 -5.956) 5.956 1.787 ( -0.000 0.000 9.567) 9.567 1.924 ( 0.000 -0.000 -1.939) 1.939 2.506 ( 0.000 -0.000 0.859) 0.859 2.566 ( 0.000 -0.000 -3.003) 3.003 3.121 ( -0.000 0.000 5.204) 5.204 3.129 ( 0.000 -0.000 4.655) 4.655 3.156 ( 0.000 -0.000 1.558) 1.558 3.242 ( 0.000 -0.000 -6.464) 6.464 3.519 ( 0.000 -0.000 2.418) 2.418 3.592 ( -0.000 0.000 -5.456) 5.456 4.353 ( 0.000 -0.000 9.089) 9.089 4.567 ( -0.000 0.000 -10.620) 10.620 4.606 ( 0.000 -0.000 15.692) 15.692 4.887 ( -0.000 0.000 -2.756) 2.756 4.969 ( 0.000 -0.000 -7.183) 7.183 5.059 ( -0.000 0.000 -7.771) 7.771 7.294 ( 0.000 -0.000 32.449) 32.449 7.687 ( 0.000 -0.000 -9.677) 9.677 7.791 ( 0.000 0.000 11.790) 11.790 8.071 ( 0.000 0.000 -14.534) 14.534 8.734 ( 0.000 -0.000 18.529) 18.529 9.209 ( -0.000 0.000 -21.693) 21.693 9.646 ( 0.000 0.000 11.133) 11.133 9.850 ( 0.000 -0.000 -8.901) 8.901 11.466 ( 0.000 -0.000 18.687) 18.687 11.533 ( 0.000 -0.000 5.056) 5.056 12.146 ( 0.000 -0.000 12.434) 12.434 12.326 ( 0.000 -0.000 -3.537) 3.537 12.501 ( -0.000 0.000 2.522) 2.522 12.518 ( 0.000 0.000 9.707) 9.707 12.995 ( 0.000 -0.000 0.764) 0.764 13.014 ( 0.000 -0.000 1.106) 1.106 13.498 ( -0.000 0.000 -11.976) 11.976 13.604 ( 0.000 -0.000 -18.014) 18.014 15.068 ( -0.000 0.000 28.003) 28.003 15.620 ( 0.000 -0.000 -24.183) 24.183 15.631 ( 0.000 -0.000 15.193) 15.193 15.945 ( -0.000 0.000 -14.721) 14.721 17.461 ( 0.000 -0.000 29.151) 29.151 18.124 ( -0.000 0.000 -32.557) 32.557 25.931 ( 0.000 -0.000 11.219) 11.219 26.174 ( 0.000 -0.000 -12.125) 12.125 28.683 ( 0.000 0.000 11.029) 11.029 29.007 ( 0.000 -0.000 -20.538) 20.538 30.082 ( 0.000 -0.000 12.372) 12.372 30.270 ( 0.000 -0.000 -5.976) 5.976 =================== 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 3/43200 10.0 834.329 570.816 466.457 0.000 0.000 -0.000 3/43200 20.0 102.314 86.621 89.825 0.000 0.000 -0.000 3/43200 30.0 34.888 32.233 37.154 0.000 0.000 -0.000 3/43200 40.0 18.145 17.726 22.159 0.000 0.000 -0.000 3/43200 50.0 11.729 11.908 15.993 0.000 0.000 -0.000 3/43200 60.0 8.563 8.942 12.780 0.000 0.000 -0.000 3/43200 70.0 6.725 7.185 10.817 0.000 0.000 -0.000 3/43200 80.0 5.535 6.034 9.477 0.000 0.000 -0.000 3/43200 90.0 4.706 5.226 8.493 0.000 0.000 -0.000 3/43200 100.0 4.095 4.628 7.730 0.000 0.000 -0.000 3/43200 110.0 3.628 4.168 7.119 0.000 0.000 -0.000 3/43200 120.0 3.259 3.802 6.614 0.000 0.000 -0.000 3/43200 130.0 2.960 3.503 6.190 0.000 0.000 -0.000 3/43200 140.0 2.713 3.254 5.828 0.000 0.000 -0.000 3/43200 150.0 2.506 3.042 5.514 0.000 0.000 -0.000 3/43200 160.0 2.330 2.859 5.239 0.000 0.000 -0.000 3/43200 170.0 2.178 2.700 4.996 0.000 0.000 -0.000 3/43200 180.0 2.046 2.559 4.780 0.000 0.000 -0.000 3/43200 190.0 1.929 2.434 4.585 0.000 0.000 -0.000 3/43200 200.0 1.827 2.322 4.409 0.000 0.000 -0.000 3/43200 210.0 1.735 2.220 4.248 0.000 0.000 -0.000 3/43200 220.0 1.653 2.128 4.101 0.000 0.000 -0.000 3/43200 230.0 1.578 2.044 3.965 0.000 0.000 -0.000 3/43200 240.0 1.511 1.966 3.840 0.000 0.000 -0.000 3/43200 250.0 1.450 1.895 3.723 0.000 0.000 -0.000 3/43200 260.0 1.393 1.829 3.615 0.000 0.000 -0.000 3/43200 270.0 1.342 1.768 3.513 0.000 0.000 -0.000 3/43200 280.0 1.294 1.711 3.417 0.000 0.000 -0.000 3/43200 290.0 1.250 1.657 3.327 0.000 0.000 -0.000 3/43200 300.0 1.209 1.607 3.242 0.000 0.000 -0.000 3/43200 310.0 1.171 1.561 3.162 0.000 0.000 -0.000 3/43200 320.0 1.135 1.516 3.086 0.000 0.000 -0.000 3/43200 330.0 1.101 1.475 3.013 0.000 0.000 -0.000 3/43200 340.0 1.070 1.436 2.944 0.000 0.000 -0.000 3/43200 350.0 1.040 1.398 2.878 0.000 0.000 -0.000 3/43200 360.0 1.013 1.363 2.815 0.000 0.000 -0.000 3/43200 370.0 0.986 1.330 2.755 0.000 0.000 -0.000 3/43200 380.0 0.961 1.298 2.698 0.000 0.000 -0.000 3/43200 390.0 0.938 1.268 2.643 0.000 0.000 -0.000 3/43200 400.0 0.915 1.239 2.590 0.000 0.000 -0.000 3/43200 410.0 0.894 1.211 2.539 0.000 0.000 -0.000 3/43200 420.0 0.874 1.185 2.490 0.000 0.000 -0.000 3/43200 430.0 0.854 1.160 2.442 0.000 0.000 -0.000 3/43200 440.0 0.836 1.136 2.397 0.000 0.000 -0.000 3/43200 450.0 0.818 1.112 2.353 0.000 0.000 -0.000 3/43200 460.0 0.801 1.090 2.311 0.000 0.000 -0.000 3/43200 470.0 0.785 1.069 2.270 0.000 0.000 -0.000 3/43200 480.0 0.769 1.048 2.231 0.000 0.000 -0.000 3/43200 490.0 0.754 1.028 2.193 0.000 0.000 -0.000 3/43200 500.0 0.740 1.009 2.156 0.000 0.000 -0.000 3/43200 510.0 0.726 0.991 2.120 0.000 0.000 -0.000 3/43200 520.0 0.713 0.973 2.085 0.000 0.000 -0.000 3/43200 530.0 0.700 0.956 2.052 0.000 0.000 -0.000 3/43200 540.0 0.688 0.940 2.019 0.000 0.000 -0.000 3/43200 550.0 0.676 0.924 1.988 0.000 0.000 -0.000 3/43200 560.0 0.664 0.909 1.957 0.000 0.000 -0.000 3/43200 570.0 0.653 0.894 1.928 0.000 0.000 -0.000 3/43200 580.0 0.642 0.879 1.899 0.000 0.000 -0.000 3/43200 590.0 0.632 0.865 1.871 0.000 0.000 -0.000 3/43200 600.0 0.622 0.852 1.844 0.000 0.000 -0.000 3/43200 610.0 0.612 0.839 1.817 0.000 0.000 -0.000 3/43200 620.0 0.603 0.826 1.791 0.000 0.000 -0.000 3/43200 630.0 0.593 0.813 1.766 0.000 0.000 -0.000 3/43200 640.0 0.585 0.801 1.742 0.000 0.000 -0.000 3/43200 650.0 0.576 0.790 1.718 0.000 0.000 -0.000 3/43200 660.0 0.568 0.779 1.695 0.000 0.000 -0.000 3/43200 670.0 0.559 0.768 1.672 0.000 0.000 -0.000 3/43200 680.0 0.552 0.757 1.651 0.000 0.000 -0.000 3/43200 690.0 0.544 0.746 1.629 0.000 0.000 -0.000 3/43200 700.0 0.536 0.736 1.608 0.000 0.000 -0.000 3/43200 710.0 0.529 0.726 1.588 0.000 0.000 -0.000 3/43200 720.0 0.522 0.717 1.568 0.000 0.000 -0.000 3/43200 730.0 0.515 0.707 1.549 0.000 0.000 -0.000 3/43200 740.0 0.508 0.698 1.530 0.000 0.000 -0.000 3/43200 750.0 0.502 0.689 1.511 0.000 0.000 -0.000 3/43200 760.0 0.496 0.681 1.493 0.000 0.000 -0.000 3/43200 770.0 0.489 0.672 1.475 0.000 0.000 -0.000 3/43200 780.0 0.483 0.664 1.458 0.000 0.000 -0.000 3/43200 790.0 0.477 0.656 1.441 0.000 0.000 -0.000 3/43200 800.0 0.472 0.648 1.425 0.000 0.000 -0.000 3/43200 810.0 0.466 0.641 1.408 0.000 0.000 -0.000 3/43200 820.0 0.460 0.633 1.393 0.000 0.000 -0.000 3/43200 830.0 0.455 0.626 1.377 0.000 0.000 -0.000 3/43200 840.0 0.450 0.619 1.362 0.000 0.000 -0.000 3/43200 850.0 0.445 0.612 1.347 0.000 0.000 -0.000 3/43200 860.0 0.440 0.605 1.333 0.000 0.000 -0.000 3/43200 870.0 0.435 0.598 1.319 0.000 0.000 -0.000 3/43200 880.0 0.430 0.591 1.305 0.000 0.000 -0.000 3/43200 890.0 0.425 0.585 1.291 0.000 0.000 -0.000 3/43200 900.0 0.421 0.579 1.278 0.000 0.000 -0.000 3/43200 910.0 0.416 0.573 1.265 0.000 0.000 -0.000 3/43200 920.0 0.412 0.567 1.252 0.000 0.000 -0.000 3/43200 930.0 0.407 0.561 1.239 0.000 0.000 -0.000 3/43200 940.0 0.403 0.555 1.227 0.000 0.000 -0.000 3/43200 950.0 0.399 0.549 1.215 0.000 0.000 -0.000 3/43200 960.0 0.395 0.544 1.203 0.000 0.000 -0.000 3/43200 970.0 0.391 0.538 1.191 0.000 0.000 -0.000 3/43200 980.0 0.387 0.533 1.180 0.000 0.000 -0.000 3/43200 990.0 0.383 0.528 1.169 0.000 0.000 -0.000 3/43200 1000.0 0.380 0.523 1.158 0.000 0.000 -0.000 3/43200 Thermal conductivity related properties were written into "kappa-m10109.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:52:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|