----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:55:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.752224990740258 -8.729647999999999 0.000000000000000 b 4.752224990740258 8.729647999999999 0.000000000000000 c -4.144994390782895 0.000000000000000 6.473862919506788 Atomic positions (fractional): *1 Si 0.16978835739797 0.53209427798774 0.15547591493700 28.085 2 Si 0.46790572201226 0.83021164260203 0.34452408506299 28.085 3 Si 0.83021164260203 0.46790572201226 0.84452408506300 28.085 4 Si 0.53209427798774 0.16978835739797 0.65547591493700 28.085 *5 As 0.95310899238618 0.55692923323560 0.20764203263595 74.922 6 As 0.44307076676440 0.04689100761382 0.29235796736405 74.922 *7 As 0.66760752664841 0.81021371569907 0.25422961251127 74.922 8 As 0.18978628430093 0.33239247335159 0.24577038748873 74.922 9 As 0.33239247335159 0.18978628430093 0.74577038748873 74.922 10 As 0.81021371569907 0.66760752664841 0.75422961251127 74.922 11 As 0.55692923323560 0.95310899238618 0.70764203263595 74.922 12 As 0.04689100761382 0.44307076676440 0.79235796736405 74.922 *13 Ba 0.94335845257004 0.05664154742996 0.75000000000000 137.327 14 Ba 0.05664154742996 0.94335845257004 0.25000000000000 137.327 *15 Ba 0.56633411857126 0.43366588142874 0.25000000000000 137.327 16 Ba 0.43366588142874 0.56633411857126 0.75000000000000 137.327 *17 Ba 0.81050265666449 0.18949734333551 0.25000000000000 137.327 18 Ba 0.18949734333551 0.81050265666449 0.75000000000000 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.504449981480516 0.000000000000000 0.000000000000000 b 0.000000000000000 17.459295999999998 0.000000000000000 c -4.144994390782895 0.000000000000000 6.473862919506788 Atomic positions (fractional): *1 Si 0.85094131769285 0.68115296029488 0.15547591493700 28.085 > 1 2 Si 0.14905868230715 0.68115296029488 0.34452408506299 28.085 > 2 3 Si 0.64905868230715 0.81884703970512 0.84452408506300 28.085 > 3 4 Si 0.35094131769286 0.81884703970512 0.65547591493700 28.085 > 4 5 Si 0.35094131769286 0.18115296029488 0.15547591493700 28.085 > 1 6 Si 0.64905868230715 0.18115296029488 0.34452408506299 28.085 > 2 7 Si 0.14905868230715 0.31884703970512 0.84452408506300 28.085 > 3 8 Si 0.85094131769285 0.31884703970512 0.65547591493700 28.085 > 4 *9 As 0.75501911281089 0.80191012042471 0.20764203263595 74.922 > 5 10 As 0.24498088718911 0.80191012042471 0.29235796736405 74.922 > 6 *11 As 0.23891062117374 0.57130309452533 0.25422961251127 74.922 > 7 12 As 0.76108937882626 0.57130309452533 0.24577038748873 74.922 > 8 13 As 0.26108937882626 0.92869690547467 0.74577038748873 74.922 > 9 14 As 0.73891062117374 0.92869690547467 0.75422961251127 74.922 > 10 15 As 0.25501911281089 0.69808987957529 0.70764203263595 74.922 > 11 16 As 0.74498088718911 0.69808987957529 0.79235796736405 74.922 > 12 17 As 0.25501911281089 0.30191012042471 0.20764203263595 74.922 > 5 18 As 0.74498088718911 0.30191012042471 0.29235796736405 74.922 > 6 19 As 0.73891062117374 0.07130309452533 0.25422961251127 74.922 > 7 20 As 0.26108937882626 0.07130309452533 0.24577038748873 74.922 > 8 21 As 0.76108937882626 0.42869690547467 0.74577038748873 74.922 > 9 22 As 0.23891062117374 0.42869690547467 0.75422961251127 74.922 > 10 23 As 0.75501911281089 0.19808987957529 0.70764203263595 74.922 > 11 24 As 0.24498088718911 0.19808987957529 0.79235796736405 74.922 > 12 *25 Ba 0.50000000000000 0.55664154742996 0.75000000000000 137.327 > 13 26 Ba 0.00000000000000 0.94335845257004 0.25000000000000 137.327 > 14 *27 Ba 0.50000000000000 0.93366588142874 0.25000000000000 137.327 > 15 28 Ba 0.00000000000000 0.56633411857126 0.75000000000000 137.327 > 16 *29 Ba 0.50000000000000 0.68949734333551 0.25000000000000 137.327 > 17 30 Ba 0.00000000000000 0.81050265666449 0.75000000000000 137.327 > 18 31 Ba 0.00000000000000 0.05664154742996 0.75000000000000 137.327 > 13 32 Ba 0.50000000000000 0.44335845257004 0.25000000000000 137.327 > 14 33 Ba 0.00000000000000 0.43366588142874 0.25000000000000 137.327 > 15 34 Ba 0.50000000000000 0.06633411857126 0.75000000000000 137.327 > 16 35 Ba 0.00000000000000 0.18949734333551 0.25000000000000 137.327 > 17 36 Ba 0.50000000000000 0.31050265666449 0.75000000000000 137.327 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 19.008899962961031 0.000000000000000 0.000000000000000 b 0.000000000000000 17.459295999999998 0.000000000000000 c -8.289988781565791 0.000000000000000 12.947725839013575 Atomic positions (fractional): *1 Si 0.42547065884643 0.68115296029488 0.07773795746850 28.085 > 1 2 Si 0.92547065884643 0.68115296029488 0.07773795746850 28.085 > 1 3 Si 0.42547065884643 0.68115296029488 0.57773795746850 28.085 > 1 4 Si 0.92547065884643 0.68115296029488 0.57773795746850 28.085 > 1 5 Si 0.07452934115357 0.68115296029488 0.17226204253150 28.085 > 2 6 Si 0.57452934115357 0.68115296029488 0.17226204253150 28.085 > 2 7 Si 0.07452934115357 0.68115296029488 0.67226204253150 28.085 > 2 8 Si 0.57452934115357 0.68115296029488 0.67226204253150 28.085 > 2 9 Si 0.32452934115357 0.81884703970512 0.42226204253150 28.085 > 3 10 Si 0.82452934115357 0.81884703970512 0.42226204253150 28.085 > 3 11 Si 0.32452934115357 0.81884703970512 0.92226204253150 28.085 > 3 12 Si 0.82452934115357 0.81884703970512 0.92226204253150 28.085 > 3 13 Si 0.17547065884643 0.81884703970512 0.32773795746850 28.085 > 4 14 Si 0.67547065884643 0.81884703970512 0.32773795746850 28.085 > 4 15 Si 0.17547065884643 0.81884703970512 0.82773795746850 28.085 > 4 16 Si 0.67547065884643 0.81884703970512 0.82773795746850 28.085 > 4 17 Si 0.17547065884643 0.18115296029488 0.07773795746850 28.085 > 1 18 Si 0.67547065884643 0.18115296029488 0.07773795746850 28.085 > 1 19 Si 0.17547065884643 0.18115296029488 0.57773795746850 28.085 > 1 20 Si 0.67547065884643 0.18115296029488 0.57773795746850 28.085 > 1 21 Si 0.32452934115357 0.18115296029488 0.17226204253150 28.085 > 2 22 Si 0.82452934115357 0.18115296029488 0.17226204253150 28.085 > 2 23 Si 0.32452934115357 0.18115296029488 0.67226204253150 28.085 > 2 24 Si 0.82452934115357 0.18115296029488 0.67226204253150 28.085 > 2 25 Si 0.07452934115357 0.31884703970512 0.42226204253150 28.085 > 3 26 Si 0.57452934115357 0.31884703970512 0.42226204253150 28.085 > 3 27 Si 0.07452934115357 0.31884703970512 0.92226204253150 28.085 > 3 28 Si 0.57452934115357 0.31884703970512 0.92226204253150 28.085 > 3 29 Si 0.42547065884643 0.31884703970512 0.32773795746850 28.085 > 4 30 Si 0.92547065884643 0.31884703970512 0.32773795746850 28.085 > 4 31 Si 0.42547065884643 0.31884703970512 0.82773795746850 28.085 > 4 32 Si 0.92547065884643 0.31884703970512 0.82773795746850 28.085 > 4 *33 As 0.37750955640544 0.80191012042471 0.10382101631797 74.922 > 5 34 As 0.87750955640544 0.80191012042471 0.10382101631797 74.922 > 5 35 As 0.37750955640544 0.80191012042471 0.60382101631797 74.922 > 5 36 As 0.87750955640544 0.80191012042471 0.60382101631797 74.922 > 5 37 As 0.12249044359456 0.80191012042471 0.14617898368203 74.922 > 6 38 As 0.62249044359455 0.80191012042471 0.14617898368203 74.922 > 6 39 As 0.12249044359456 0.80191012042471 0.64617898368203 74.922 > 6 40 As 0.62249044359455 0.80191012042471 0.64617898368203 74.922 > 6 *41 As 0.11945531058687 0.57130309452533 0.12711480625563 74.922 > 7 42 As 0.61945531058687 0.57130309452533 0.12711480625563 74.922 > 7 43 As 0.11945531058687 0.57130309452533 0.62711480625563 74.922 > 7 44 As 0.61945531058687 0.57130309452533 0.62711480625563 74.922 > 7 45 As 0.38054468941313 0.57130309452533 0.12288519374437 74.922 > 8 46 As 0.88054468941313 0.57130309452533 0.12288519374437 74.922 > 8 47 As 0.38054468941313 0.57130309452533 0.62288519374437 74.922 > 8 48 As 0.88054468941313 0.57130309452533 0.62288519374437 74.922 > 8 49 As 0.13054468941313 0.92869690547467 0.37288519374437 74.922 > 9 50 As 0.63054468941313 0.92869690547467 0.37288519374437 74.922 > 9 51 As 0.13054468941313 0.92869690547467 0.87288519374437 74.922 > 9 52 As 0.63054468941313 0.92869690547467 0.87288519374437 74.922 > 9 53 As 0.36945531058687 0.92869690547467 0.37711480625563 74.922 > 10 54 As 0.86945531058687 0.92869690547467 0.37711480625563 74.922 > 10 55 As 0.36945531058687 0.92869690547467 0.87711480625563 74.922 > 10 56 As 0.86945531058687 0.92869690547467 0.87711480625563 74.922 > 10 57 As 0.12750955640545 0.69808987957529 0.35382101631797 74.922 > 11 58 As 0.62750955640545 0.69808987957529 0.35382101631797 74.922 > 11 59 As 0.12750955640545 0.69808987957529 0.85382101631797 74.922 > 11 60 As 0.62750955640545 0.69808987957529 0.85382101631797 74.922 > 11 61 As 0.37249044359456 0.69808987957529 0.39617898368203 74.922 > 12 62 As 0.87249044359456 0.69808987957529 0.39617898368203 74.922 > 12 63 As 0.37249044359456 0.69808987957529 0.89617898368203 74.922 > 12 64 As 0.87249044359456 0.69808987957529 0.89617898368203 74.922 > 12 65 As 0.12750955640545 0.30191012042471 0.10382101631797 74.922 > 5 66 As 0.62750955640545 0.30191012042471 0.10382101631797 74.922 > 5 67 As 0.12750955640545 0.30191012042471 0.60382101631797 74.922 > 5 68 As 0.62750955640545 0.30191012042471 0.60382101631797 74.922 > 5 69 As 0.37249044359456 0.30191012042471 0.14617898368203 74.922 > 6 70 As 0.87249044359456 0.30191012042471 0.14617898368203 74.922 > 6 71 As 0.37249044359456 0.30191012042471 0.64617898368203 74.922 > 6 72 As 0.87249044359456 0.30191012042471 0.64617898368203 74.922 > 6 73 As 0.36945531058687 0.07130309452533 0.12711480625563 74.922 > 7 74 As 0.86945531058687 0.07130309452533 0.12711480625563 74.922 > 7 75 As 0.36945531058687 0.07130309452533 0.62711480625563 74.922 > 7 76 As 0.86945531058687 0.07130309452533 0.62711480625563 74.922 > 7 77 As 0.13054468941313 0.07130309452533 0.12288519374437 74.922 > 8 78 As 0.63054468941313 0.07130309452533 0.12288519374437 74.922 > 8 79 As 0.13054468941313 0.07130309452533 0.62288519374437 74.922 > 8 80 As 0.63054468941313 0.07130309452533 0.62288519374437 74.922 > 8 81 As 0.38054468941313 0.42869690547467 0.37288519374437 74.922 > 9 82 As 0.88054468941313 0.42869690547467 0.37288519374437 74.922 > 9 83 As 0.38054468941313 0.42869690547467 0.87288519374437 74.922 > 9 84 As 0.88054468941313 0.42869690547467 0.87288519374437 74.922 > 9 85 As 0.11945531058687 0.42869690547467 0.37711480625563 74.922 > 10 86 As 0.61945531058687 0.42869690547467 0.37711480625563 74.922 > 10 87 As 0.11945531058687 0.42869690547467 0.87711480625563 74.922 > 10 88 As 0.61945531058687 0.42869690547467 0.87711480625563 74.922 > 10 89 As 0.37750955640544 0.19808987957529 0.35382101631797 74.922 > 11 90 As 0.87750955640544 0.19808987957529 0.35382101631797 74.922 > 11 91 As 0.37750955640544 0.19808987957529 0.85382101631797 74.922 > 11 92 As 0.87750955640544 0.19808987957529 0.85382101631797 74.922 > 11 93 As 0.12249044359456 0.19808987957529 0.39617898368203 74.922 > 12 94 As 0.62249044359455 0.19808987957529 0.39617898368203 74.922 > 12 95 As 0.12249044359456 0.19808987957529 0.89617898368203 74.922 > 12 96 As 0.62249044359455 0.19808987957529 0.89617898368203 74.922 > 12 *97 Ba 0.25000000000000 0.55664154742996 0.37500000000000 137.327 > 13 98 Ba 0.75000000000000 0.55664154742996 0.37500000000000 137.327 > 13 99 Ba 0.25000000000000 0.55664154742996 0.87500000000000 137.327 > 13 100 Ba 0.75000000000000 0.55664154742996 0.87500000000000 137.327 > 13 101 Ba 0.00000000000000 0.94335845257004 0.12500000000000 137.327 > 14 102 Ba 0.50000000000000 0.94335845257004 0.12500000000000 137.327 > 14 103 Ba 0.00000000000000 0.94335845257004 0.62500000000000 137.327 > 14 104 Ba 0.50000000000000 0.94335845257004 0.62500000000000 137.327 > 14 *105 Ba 0.25000000000000 0.93366588142874 0.12500000000000 137.327 > 15 106 Ba 0.75000000000000 0.93366588142874 0.12500000000000 137.327 > 15 107 Ba 0.25000000000000 0.93366588142874 0.62500000000000 137.327 > 15 108 Ba 0.75000000000000 0.93366588142874 0.62500000000000 137.327 > 15 109 Ba 0.00000000000000 0.56633411857126 0.37500000000000 137.327 > 16 110 Ba 0.50000000000000 0.56633411857126 0.37500000000000 137.327 > 16 111 Ba 0.00000000000000 0.56633411857126 0.87500000000000 137.327 > 16 112 Ba 0.50000000000000 0.56633411857126 0.87500000000000 137.327 > 16 *113 Ba 0.25000000000000 0.68949734333551 0.12500000000000 137.327 > 17 114 Ba 0.75000000000000 0.68949734333551 0.12500000000000 137.327 > 17 115 Ba 0.25000000000000 0.68949734333551 0.62500000000000 137.327 > 17 116 Ba 0.75000000000000 0.68949734333551 0.62500000000000 137.327 > 17 117 Ba 0.00000000000000 0.81050265666449 0.37500000000000 137.327 > 18 118 Ba 0.50000000000000 0.81050265666449 0.37500000000000 137.327 > 18 119 Ba 0.00000000000000 0.81050265666449 0.87500000000000 137.327 > 18 120 Ba 0.50000000000000 0.81050265666449 0.87500000000000 137.327 > 18 121 Ba 0.00000000000000 0.05664154742996 0.37500000000000 137.327 > 13 122 Ba 0.50000000000000 0.05664154742996 0.37500000000000 137.327 > 13 123 Ba 0.00000000000000 0.05664154742996 0.87500000000000 137.327 > 13 124 Ba 0.50000000000000 0.05664154742996 0.87500000000000 137.327 > 13 125 Ba 0.25000000000000 0.44335845257004 0.12500000000000 137.327 > 14 126 Ba 0.75000000000000 0.44335845257004 0.12500000000000 137.327 > 14 127 Ba 0.25000000000000 0.44335845257004 0.62500000000000 137.327 > 14 128 Ba 0.75000000000000 0.44335845257004 0.62500000000000 137.327 > 14 129 Ba 0.00000000000000 0.43366588142874 0.12500000000000 137.327 > 15 130 Ba 0.50000000000000 0.43366588142874 0.12500000000000 137.327 > 15 131 Ba 0.00000000000000 0.43366588142874 0.62500000000000 137.327 > 15 132 Ba 0.50000000000000 0.43366588142874 0.62500000000000 137.327 > 15 133 Ba 0.25000000000000 0.06633411857126 0.37500000000000 137.327 > 16 134 Ba 0.75000000000000 0.06633411857126 0.37500000000000 137.327 > 16 135 Ba 0.25000000000000 0.06633411857126 0.87500000000000 137.327 > 16 136 Ba 0.75000000000000 0.06633411857126 0.87500000000000 137.327 > 16 137 Ba 0.00000000000000 0.18949734333551 0.12500000000000 137.327 > 17 138 Ba 0.50000000000000 0.18949734333551 0.12500000000000 137.327 > 17 139 Ba 0.00000000000000 0.18949734333551 0.62500000000000 137.327 > 17 140 Ba 0.50000000000000 0.18949734333551 0.62500000000000 137.327 > 17 141 Ba 0.25000000000000 0.31050265666449 0.37500000000000 137.327 > 18 142 Ba 0.75000000000000 0.31050265666449 0.37500000000000 137.327 > 18 143 Ba 0.25000000000000 0.31050265666449 0.87500000000000 137.327 > 18 144 Ba 0.75000000000000 0.31050265666449 0.87500000000000 137.327 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.5174584 0.0000000 -0.0933565 0.0000000 11.4322275 0.0000000 -0.0845160 0.0000000 10.0421149 -------------------------- Born effective charges -------------------------- 1 Si 1.1732634 0.3131202 -0.0085466 0.4994960 2.4467487 -0.9863814 0.0963671 -1.1214597 1.4662731 2 Si 1.1732634 -0.3131202 -0.0085466 -0.4994960 2.4467487 0.9863814 0.0963671 1.1214597 1.4662731 3 Si 1.1732634 0.3131202 -0.0085466 0.4994960 2.4467487 -0.9863814 0.0963671 -1.1214597 1.4662731 4 Si 1.1732634 -0.3131202 -0.0085466 -0.4994960 2.4467487 0.9863814 0.0963671 1.1214597 1.4662731 5 As -2.4663095 0.3013825 0.1747011 0.2689204 -2.8671917 0.2497113 0.1085232 0.2835713 -3.2417606 6 As -2.4663095 -0.3013825 0.1747011 -0.2689204 -2.8671917 -0.2497113 0.1085232 -0.2835713 -3.2417606 7 As -3.4430993 0.7354365 0.0186634 0.8526974 -3.9835225 -0.3139117 0.1683133 -0.4351860 -2.6014002 8 As -3.4430993 -0.7354365 0.0186634 -0.8526974 -3.9835225 0.3139117 0.1683133 0.4351860 -2.6014002 9 As -3.4430993 0.7354365 0.0186634 0.8526974 -3.9835225 -0.3139117 0.1683133 -0.4351860 -2.6014002 10 As -3.4430993 -0.7354365 0.0186634 -0.8526974 -3.9835225 0.3139117 0.1683133 0.4351860 -2.6014002 11 As -2.4663095 -0.3013825 0.1747011 -0.2689204 -2.8671917 -0.2497113 0.1085232 -0.2835713 -3.2417606 12 As -2.4663095 0.3013825 0.1747011 0.2689204 -2.8671917 0.2497113 0.1085232 0.2835713 -3.2417606 13 Ba 2.8237248 0.0000000 0.5618923 0.0000000 3.5043553 0.0000000 0.2503956 0.0000000 2.7511953 14 Ba 2.8237248 0.0000000 0.5618923 0.0000000 3.5043553 0.0000000 0.2503956 0.0000000 2.7511953 15 Ba 2.7528511 0.0000000 -0.3515938 0.0000000 3.1718880 0.0000000 -0.1813458 0.0000000 2.9791913 16 Ba 2.7528511 0.0000000 -0.3515938 0.0000000 3.1718880 0.0000000 -0.1813458 0.0000000 2.9791913 17 Ba 3.8957150 0.0000000 -0.5799342 0.0000000 2.1316879 0.0000000 -0.8154571 0.0000000 3.0233886 18 Ba 3.8957150 0.0000000 -0.5799342 0.0000000 2.1316879 0.0000000 -0.8154571 0.0000000 3.0233886 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 13968/13968 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3060 Number of blocks in projector: 3060 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: 666 Use submatrix version of eigh solver. (1) Block: 500 / 666 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 666 / 666 (1) 159 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 630 Use submatrix version of eigh solver. (1) Block: 500 / 630 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 245 eigenvectors found. (2) Complementary block size: 11 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 630 / 630 (1) 126 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 630 Use submatrix version of eigh solver. (1) Block: 500 / 630 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 245 eigenvectors found. (2) Complementary block size: 11 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 630 / 630 (1) 126 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 378 Use standard eigh solver. Tree of FC basis block matrices: - (3060, 3019), data: False |-- (378, 372), data: True |-- (378, 372), data: True |-- (378, 372), data: True |-- (630, 624), data: False |-- (630, 4), data: (630, 10) @ (10, 4) |-- (130, 126), data: True |-- (500, 494), data: False |-- (500, 5), data: (500, 11) @ (11, 5) |-- (250, 245), data: True |-- (250, 244), data: True |-- (630, 624), data: False |-- (630, 4), data: (630, 10) @ (10, 4) |-- (130, 126), data: True |-- (500, 494), data: False |-- (500, 5), data: (500, 11) @ (11, 5) |-- (250, 245), data: True |-- (250, 244), data: True |-- (666, 655), data: False |-- (666, 7), data: (666, 18) @ (18, 7) |-- (166, 159), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 560 - Time: 1.135 Solver_block: 200 / 560 - Time: 1.077 Solver_block: 300 / 560 - Time: 1.078 Solver_block: 400 / 560 - Time: 1.041 Solver_block: 500 / 560 - Time: 1.087 Solver_block: 560 / 560 - Time: 0.693 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.260 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zx) 0.00000000 (zx) Permutation basis: 432/432 Permutation basis: 13968/13968 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3060 Number of blocks in projector: 3060 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: 666 Use submatrix version of eigh solver. (1) Block: 500 / 666 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 666 / 666 (1) 159 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 630 Use submatrix version of eigh solver. (1) Block: 500 / 630 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 245 eigenvectors found. (2) Complementary block size: 11 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 630 / 630 (1) 126 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 630 Use submatrix version of eigh solver. (1) Block: 500 / 630 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 245 eigenvectors found. (2) Complementary block size: 11 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 630 / 630 (1) 126 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 378 Use standard eigh solver. Tree of FC basis block matrices: - (3060, 3019), data: False |-- (378, 372), data: True |-- (378, 372), data: True |-- (378, 372), data: True |-- (630, 624), data: False |-- (630, 4), data: (630, 10) @ (10, 4) |-- (130, 126), data: True |-- (500, 494), data: False |-- (500, 5), data: (500, 11) @ (11, 5) |-- (250, 245), data: True |-- (250, 244), data: True |-- (630, 624), data: False |-- (630, 4), data: (630, 10) @ (10, 4) |-- (130, 126), data: True |-- (500, 494), data: False |-- (500, 5), data: (500, 11) @ (11, 5) |-- (250, 245), data: True |-- (250, 244), data: True |-- (666, 655), data: False |-- (666, 7), data: (666, 18) @ (18, 7) |-- (166, 159), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xz) -0.00000000 (xz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:55:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:55:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.752224990740258 -8.729647999999999 0.000000000000000 b 4.752224990740258 8.729647999999999 0.000000000000000 c -4.144994390782895 0.000000000000000 6.473862919506788 Atomic positions (fractional): 1 Si 0.16978835739797 0.53209427798774 0.15547591493700 28.085 2 Si 0.46790572201226 0.83021164260203 0.34452408506299 28.085 3 Si 0.83021164260203 0.46790572201226 0.84452408506300 28.085 4 Si 0.53209427798774 0.16978835739797 0.65547591493700 28.085 5 As 0.95310899238618 0.55692923323560 0.20764203263595 74.922 6 As 0.44307076676440 0.04689100761382 0.29235796736405 74.922 7 As 0.66760752664841 0.81021371569907 0.25422961251127 74.922 8 As 0.18978628430093 0.33239247335159 0.24577038748873 74.922 9 As 0.33239247335159 0.18978628430093 0.74577038748873 74.922 10 As 0.81021371569907 0.66760752664841 0.75422961251127 74.922 11 As 0.55692923323560 0.95310899238618 0.70764203263595 74.922 12 As 0.04689100761382 0.44307076676440 0.79235796736405 74.922 13 Ba 0.94335845257004 0.05664154742996 0.75000000000000 137.327 14 Ba 0.05664154742996 0.94335845257004 0.25000000000000 137.327 15 Ba 0.56633411857126 0.43366588142874 0.25000000000000 137.327 16 Ba 0.43366588142874 0.56633411857126 0.75000000000000 137.327 17 Ba 0.81050265666449 0.18949734333551 0.25000000000000 137.327 18 Ba 0.18949734333551 0.81050265666449 0.75000000000000 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 19.008899962961031 0.000000000000000 0.000000000000000 b 0.000000000000000 17.459295999999998 0.000000000000000 c -8.289988781565791 0.000000000000000 12.947725839013575 Atomic positions (fractional): 1 Si 0.42547065884643 0.68115296029488 0.07773795746850 28.085 > 1 2 Si 0.92547065884643 0.68115296029488 0.07773795746850 28.085 > 1 3 Si 0.42547065884643 0.68115296029488 0.57773795746850 28.085 > 1 4 Si 0.92547065884643 0.68115296029488 0.57773795746850 28.085 > 1 5 Si 0.07452934115357 0.68115296029488 0.17226204253150 28.085 > 5 6 Si 0.57452934115357 0.68115296029488 0.17226204253150 28.085 > 5 7 Si 0.07452934115357 0.68115296029488 0.67226204253150 28.085 > 5 8 Si 0.57452934115357 0.68115296029488 0.67226204253150 28.085 > 5 9 Si 0.32452934115357 0.81884703970512 0.42226204253150 28.085 > 9 10 Si 0.82452934115357 0.81884703970512 0.42226204253150 28.085 > 9 11 Si 0.32452934115357 0.81884703970512 0.92226204253150 28.085 > 9 12 Si 0.82452934115357 0.81884703970512 0.92226204253150 28.085 > 9 13 Si 0.17547065884643 0.81884703970512 0.32773795746850 28.085 > 13 14 Si 0.67547065884643 0.81884703970512 0.32773795746850 28.085 > 13 15 Si 0.17547065884643 0.81884703970512 0.82773795746850 28.085 > 13 16 Si 0.67547065884643 0.81884703970512 0.82773795746850 28.085 > 13 17 Si 0.17547065884643 0.18115296029488 0.07773795746850 28.085 > 1 18 Si 0.67547065884643 0.18115296029488 0.07773795746850 28.085 > 1 19 Si 0.17547065884643 0.18115296029488 0.57773795746850 28.085 > 1 20 Si 0.67547065884643 0.18115296029488 0.57773795746850 28.085 > 1 21 Si 0.32452934115357 0.18115296029488 0.17226204253150 28.085 > 5 22 Si 0.82452934115357 0.18115296029488 0.17226204253150 28.085 > 5 23 Si 0.32452934115357 0.18115296029488 0.67226204253150 28.085 > 5 24 Si 0.82452934115357 0.18115296029488 0.67226204253150 28.085 > 5 25 Si 0.07452934115357 0.31884703970512 0.42226204253150 28.085 > 9 26 Si 0.57452934115357 0.31884703970512 0.42226204253150 28.085 > 9 27 Si 0.07452934115357 0.31884703970512 0.92226204253150 28.085 > 9 28 Si 0.57452934115357 0.31884703970512 0.92226204253150 28.085 > 9 29 Si 0.42547065884643 0.31884703970512 0.32773795746850 28.085 > 13 30 Si 0.92547065884643 0.31884703970512 0.32773795746850 28.085 > 13 31 Si 0.42547065884643 0.31884703970512 0.82773795746850 28.085 > 13 32 Si 0.92547065884643 0.31884703970512 0.82773795746850 28.085 > 13 33 As 0.37750955640544 0.80191012042471 0.10382101631797 74.922 > 33 34 As 0.87750955640544 0.80191012042471 0.10382101631797 74.922 > 33 35 As 0.37750955640544 0.80191012042471 0.60382101631797 74.922 > 33 36 As 0.87750955640544 0.80191012042471 0.60382101631797 74.922 > 33 37 As 0.12249044359456 0.80191012042471 0.14617898368203 74.922 > 37 38 As 0.62249044359455 0.80191012042471 0.14617898368203 74.922 > 37 39 As 0.12249044359456 0.80191012042471 0.64617898368203 74.922 > 37 40 As 0.62249044359455 0.80191012042471 0.64617898368203 74.922 > 37 41 As 0.11945531058687 0.57130309452533 0.12711480625563 74.922 > 41 42 As 0.61945531058687 0.57130309452533 0.12711480625563 74.922 > 41 43 As 0.11945531058687 0.57130309452533 0.62711480625563 74.922 > 41 44 As 0.61945531058687 0.57130309452533 0.62711480625563 74.922 > 41 45 As 0.38054468941313 0.57130309452533 0.12288519374437 74.922 > 45 46 As 0.88054468941313 0.57130309452533 0.12288519374437 74.922 > 45 47 As 0.38054468941313 0.57130309452533 0.62288519374437 74.922 > 45 48 As 0.88054468941313 0.57130309452533 0.62288519374437 74.922 > 45 49 As 0.13054468941313 0.92869690547467 0.37288519374437 74.922 > 49 50 As 0.63054468941313 0.92869690547467 0.37288519374437 74.922 > 49 51 As 0.13054468941313 0.92869690547467 0.87288519374437 74.922 > 49 52 As 0.63054468941313 0.92869690547467 0.87288519374437 74.922 > 49 53 As 0.36945531058687 0.92869690547467 0.37711480625563 74.922 > 53 54 As 0.86945531058687 0.92869690547467 0.37711480625563 74.922 > 53 55 As 0.36945531058687 0.92869690547467 0.87711480625563 74.922 > 53 56 As 0.86945531058687 0.92869690547467 0.87711480625563 74.922 > 53 57 As 0.12750955640545 0.69808987957529 0.35382101631797 74.922 > 57 58 As 0.62750955640545 0.69808987957529 0.35382101631797 74.922 > 57 59 As 0.12750955640545 0.69808987957529 0.85382101631797 74.922 > 57 60 As 0.62750955640545 0.69808987957529 0.85382101631797 74.922 > 57 61 As 0.37249044359456 0.69808987957529 0.39617898368203 74.922 > 61 62 As 0.87249044359456 0.69808987957529 0.39617898368203 74.922 > 61 63 As 0.37249044359456 0.69808987957529 0.89617898368203 74.922 > 61 64 As 0.87249044359456 0.69808987957529 0.89617898368203 74.922 > 61 65 As 0.12750955640545 0.30191012042471 0.10382101631797 74.922 > 33 66 As 0.62750955640545 0.30191012042471 0.10382101631797 74.922 > 33 67 As 0.12750955640545 0.30191012042471 0.60382101631797 74.922 > 33 68 As 0.62750955640545 0.30191012042471 0.60382101631797 74.922 > 33 69 As 0.37249044359456 0.30191012042471 0.14617898368203 74.922 > 37 70 As 0.87249044359456 0.30191012042471 0.14617898368203 74.922 > 37 71 As 0.37249044359456 0.30191012042471 0.64617898368203 74.922 > 37 72 As 0.87249044359456 0.30191012042471 0.64617898368203 74.922 > 37 73 As 0.36945531058687 0.07130309452533 0.12711480625563 74.922 > 41 74 As 0.86945531058687 0.07130309452533 0.12711480625563 74.922 > 41 75 As 0.36945531058687 0.07130309452533 0.62711480625563 74.922 > 41 76 As 0.86945531058687 0.07130309452533 0.62711480625563 74.922 > 41 77 As 0.13054468941313 0.07130309452533 0.12288519374437 74.922 > 45 78 As 0.63054468941313 0.07130309452533 0.12288519374437 74.922 > 45 79 As 0.13054468941313 0.07130309452533 0.62288519374437 74.922 > 45 80 As 0.63054468941313 0.07130309452533 0.62288519374437 74.922 > 45 81 As 0.38054468941313 0.42869690547467 0.37288519374437 74.922 > 49 82 As 0.88054468941313 0.42869690547467 0.37288519374437 74.922 > 49 83 As 0.38054468941313 0.42869690547467 0.87288519374437 74.922 > 49 84 As 0.88054468941313 0.42869690547467 0.87288519374437 74.922 > 49 85 As 0.11945531058687 0.42869690547467 0.37711480625563 74.922 > 53 86 As 0.61945531058687 0.42869690547467 0.37711480625563 74.922 > 53 87 As 0.11945531058687 0.42869690547467 0.87711480625563 74.922 > 53 88 As 0.61945531058687 0.42869690547467 0.87711480625563 74.922 > 53 89 As 0.37750955640544 0.19808987957529 0.35382101631797 74.922 > 57 90 As 0.87750955640544 0.19808987957529 0.35382101631797 74.922 > 57 91 As 0.37750955640544 0.19808987957529 0.85382101631797 74.922 > 57 92 As 0.87750955640544 0.19808987957529 0.85382101631797 74.922 > 57 93 As 0.12249044359456 0.19808987957529 0.39617898368203 74.922 > 61 94 As 0.62249044359455 0.19808987957529 0.39617898368203 74.922 > 61 95 As 0.12249044359456 0.19808987957529 0.89617898368203 74.922 > 61 96 As 0.62249044359455 0.19808987957529 0.89617898368203 74.922 > 61 97 Ba 0.25000000000000 0.55664154742996 0.37500000000000 137.327 > 97 98 Ba 0.75000000000000 0.55664154742996 0.37500000000000 137.327 > 97 99 Ba 0.25000000000000 0.55664154742996 0.87500000000000 137.327 > 97 100 Ba 0.75000000000000 0.55664154742996 0.87500000000000 137.327 > 97 101 Ba 0.00000000000000 0.94335845257004 0.12500000000000 137.327 > 101 102 Ba 0.50000000000000 0.94335845257004 0.12500000000000 137.327 > 101 103 Ba 0.00000000000000 0.94335845257004 0.62500000000000 137.327 > 101 104 Ba 0.50000000000000 0.94335845257004 0.62500000000000 137.327 > 101 105 Ba 0.25000000000000 0.93366588142874 0.12500000000000 137.327 > 105 106 Ba 0.75000000000000 0.93366588142874 0.12500000000000 137.327 > 105 107 Ba 0.25000000000000 0.93366588142874 0.62500000000000 137.327 > 105 108 Ba 0.75000000000000 0.93366588142874 0.62500000000000 137.327 > 105 109 Ba 0.00000000000000 0.56633411857126 0.37500000000000 137.327 > 109 110 Ba 0.50000000000000 0.56633411857126 0.37500000000000 137.327 > 109 111 Ba 0.00000000000000 0.56633411857126 0.87500000000000 137.327 > 109 112 Ba 0.50000000000000 0.56633411857126 0.87500000000000 137.327 > 109 113 Ba 0.25000000000000 0.68949734333551 0.12500000000000 137.327 > 113 114 Ba 0.75000000000000 0.68949734333551 0.12500000000000 137.327 > 113 115 Ba 0.25000000000000 0.68949734333551 0.62500000000000 137.327 > 113 116 Ba 0.75000000000000 0.68949734333551 0.62500000000000 137.327 > 113 117 Ba 0.00000000000000 0.81050265666449 0.37500000000000 137.327 > 117 118 Ba 0.50000000000000 0.81050265666449 0.37500000000000 137.327 > 117 119 Ba 0.00000000000000 0.81050265666449 0.87500000000000 137.327 > 117 120 Ba 0.50000000000000 0.81050265666449 0.87500000000000 137.327 > 117 121 Ba 0.00000000000000 0.05664154742996 0.37500000000000 137.327 > 97 122 Ba 0.50000000000000 0.05664154742996 0.37500000000000 137.327 > 97 123 Ba 0.00000000000000 0.05664154742996 0.87500000000000 137.327 > 97 124 Ba 0.50000000000000 0.05664154742996 0.87500000000000 137.327 > 97 125 Ba 0.25000000000000 0.44335845257004 0.12500000000000 137.327 > 101 126 Ba 0.75000000000000 0.44335845257004 0.12500000000000 137.327 > 101 127 Ba 0.25000000000000 0.44335845257004 0.62500000000000 137.327 > 101 128 Ba 0.75000000000000 0.44335845257004 0.62500000000000 137.327 > 101 129 Ba 0.00000000000000 0.43366588142874 0.12500000000000 137.327 > 105 130 Ba 0.50000000000000 0.43366588142874 0.12500000000000 137.327 > 105 131 Ba 0.00000000000000 0.43366588142874 0.62500000000000 137.327 > 105 132 Ba 0.50000000000000 0.43366588142874 0.62500000000000 137.327 > 105 133 Ba 0.25000000000000 0.06633411857126 0.37500000000000 137.327 > 109 134 Ba 0.75000000000000 0.06633411857126 0.37500000000000 137.327 > 109 135 Ba 0.25000000000000 0.06633411857126 0.87500000000000 137.327 > 109 136 Ba 0.75000000000000 0.06633411857126 0.87500000000000 137.327 > 109 137 Ba 0.00000000000000 0.18949734333551 0.12500000000000 137.327 > 113 138 Ba 0.50000000000000 0.18949734333551 0.12500000000000 137.327 > 113 139 Ba 0.00000000000000 0.18949734333551 0.62500000000000 137.327 > 113 140 Ba 0.50000000000000 0.18949734333551 0.62500000000000 137.327 > 113 141 Ba 0.25000000000000 0.31050265666449 0.37500000000000 137.327 > 117 142 Ba 0.75000000000000 0.31050265666449 0.37500000000000 137.327 > 117 143 Ba 0.25000000000000 0.31050265666449 0.87500000000000 137.327 > 117 144 Ba 0.75000000000000 0.31050265666449 0.87500000000000 137.327 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.5174584 0.0000000 -0.0933565 0.0000000 11.4322275 0.0000000 -0.0845160 0.0000000 10.0421149 -------------------------- Born effective charges -------------------------- 1 Si 1.1732634 0.3131202 -0.0085466 0.4994960 2.4467487 -0.9863814 0.0963671 -1.1214597 1.4662731 2 Si 1.1732634 -0.3131202 -0.0085466 -0.4994960 2.4467487 0.9863814 0.0963671 1.1214597 1.4662731 3 Si 1.1732634 0.3131202 -0.0085466 0.4994960 2.4467487 -0.9863814 0.0963671 -1.1214597 1.4662731 4 Si 1.1732634 -0.3131202 -0.0085466 -0.4994960 2.4467487 0.9863814 0.0963671 1.1214597 1.4662731 5 As -2.4663095 0.3013825 0.1747011 0.2689204 -2.8671917 0.2497113 0.1085232 0.2835713 -3.2417606 6 As -2.4663095 -0.3013825 0.1747011 -0.2689204 -2.8671917 -0.2497113 0.1085232 -0.2835713 -3.2417606 7 As -3.4430993 0.7354365 0.0186634 0.8526974 -3.9835225 -0.3139117 0.1683133 -0.4351860 -2.6014002 8 As -3.4430993 -0.7354365 0.0186634 -0.8526974 -3.9835225 0.3139117 0.1683133 0.4351860 -2.6014002 9 As -3.4430993 0.7354365 0.0186634 0.8526974 -3.9835225 -0.3139117 0.1683133 -0.4351860 -2.6014002 10 As -3.4430993 -0.7354365 0.0186634 -0.8526974 -3.9835225 0.3139117 0.1683133 0.4351860 -2.6014002 11 As -2.4663095 -0.3013825 0.1747011 -0.2689204 -2.8671917 -0.2497113 0.1085232 -0.2835713 -3.2417606 12 As -2.4663095 0.3013825 0.1747011 0.2689204 -2.8671917 0.2497113 0.1085232 0.2835713 -3.2417606 13 Ba 2.8237248 0.0000000 0.5618923 0.0000000 3.5043553 0.0000000 0.2503956 0.0000000 2.7511953 14 Ba 2.8237248 0.0000000 0.5618923 0.0000000 3.5043553 0.0000000 0.2503956 0.0000000 2.7511953 15 Ba 2.7528511 0.0000000 -0.3515938 0.0000000 3.1718880 0.0000000 -0.1813458 0.0000000 2.9791913 16 Ba 2.7528511 0.0000000 -0.3515938 0.0000000 3.1718880 0.0000000 -0.1813458 0.0000000 2.9791913 17 Ba 3.8957150 0.0000000 -0.5799342 0.0000000 2.1316879 0.0000000 -0.8154571 0.0000000 3.0233886 18 Ba 3.8957150 0.0000000 -0.5799342 0.0000000 2.1316879 0.0000000 -0.8154571 0.0000000 3.0233886 ---------------------------------------------------------------------------- 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] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 41, 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] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] 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] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 105, 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] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:56:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:56:35]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.752224990740258 -8.729647999999999 0.000000000000000 b 4.752224990740258 8.729647999999999 0.000000000000000 c -4.144994390782895 0.000000000000000 6.473862919506788 Atomic positions (fractional): 1 Si 0.16978835739797 0.53209427798774 0.15547591493700 28.085 2 Si 0.46790572201226 0.83021164260203 0.34452408506299 28.085 3 Si 0.83021164260203 0.46790572201226 0.84452408506300 28.085 4 Si 0.53209427798774 0.16978835739797 0.65547591493700 28.085 5 As 0.95310899238618 0.55692923323560 0.20764203263595 74.922 6 As 0.44307076676440 0.04689100761382 0.29235796736405 74.922 7 As 0.66760752664841 0.81021371569907 0.25422961251127 74.922 8 As 0.18978628430093 0.33239247335159 0.24577038748873 74.922 9 As 0.33239247335159 0.18978628430093 0.74577038748873 74.922 10 As 0.81021371569907 0.66760752664841 0.75422961251127 74.922 11 As 0.55692923323560 0.95310899238618 0.70764203263595 74.922 12 As 0.04689100761382 0.44307076676440 0.79235796736405 74.922 13 Ba 0.94335845257004 0.05664154742996 0.75000000000000 137.327 14 Ba 0.05664154742996 0.94335845257004 0.25000000000000 137.327 15 Ba 0.56633411857126 0.43366588142874 0.25000000000000 137.327 16 Ba 0.43366588142874 0.56633411857126 0.75000000000000 137.327 17 Ba 0.81050265666449 0.18949734333551 0.25000000000000 137.327 18 Ba 0.18949734333551 0.81050265666449 0.75000000000000 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 19.008899962961031 0.000000000000000 0.000000000000000 b 0.000000000000000 17.459295999999998 0.000000000000000 c -8.289988781565791 0.000000000000000 12.947725839013575 Atomic positions (fractional): 1 Si 0.42547065884643 0.68115296029488 0.07773795746850 28.085 > 1 2 Si 0.92547065884643 0.68115296029488 0.07773795746850 28.085 > 1 3 Si 0.42547065884643 0.68115296029488 0.57773795746850 28.085 > 1 4 Si 0.92547065884643 0.68115296029488 0.57773795746850 28.085 > 1 5 Si 0.07452934115357 0.68115296029488 0.17226204253150 28.085 > 5 6 Si 0.57452934115357 0.68115296029488 0.17226204253150 28.085 > 5 7 Si 0.07452934115357 0.68115296029488 0.67226204253150 28.085 > 5 8 Si 0.57452934115357 0.68115296029488 0.67226204253150 28.085 > 5 9 Si 0.32452934115357 0.81884703970512 0.42226204253150 28.085 > 9 10 Si 0.82452934115357 0.81884703970512 0.42226204253150 28.085 > 9 11 Si 0.32452934115357 0.81884703970512 0.92226204253150 28.085 > 9 12 Si 0.82452934115357 0.81884703970512 0.92226204253150 28.085 > 9 13 Si 0.17547065884643 0.81884703970512 0.32773795746850 28.085 > 13 14 Si 0.67547065884643 0.81884703970512 0.32773795746850 28.085 > 13 15 Si 0.17547065884643 0.81884703970512 0.82773795746850 28.085 > 13 16 Si 0.67547065884643 0.81884703970512 0.82773795746850 28.085 > 13 17 Si 0.17547065884643 0.18115296029488 0.07773795746850 28.085 > 1 18 Si 0.67547065884643 0.18115296029488 0.07773795746850 28.085 > 1 19 Si 0.17547065884643 0.18115296029488 0.57773795746850 28.085 > 1 20 Si 0.67547065884643 0.18115296029488 0.57773795746850 28.085 > 1 21 Si 0.32452934115357 0.18115296029488 0.17226204253150 28.085 > 5 22 Si 0.82452934115357 0.18115296029488 0.17226204253150 28.085 > 5 23 Si 0.32452934115357 0.18115296029488 0.67226204253150 28.085 > 5 24 Si 0.82452934115357 0.18115296029488 0.67226204253150 28.085 > 5 25 Si 0.07452934115357 0.31884703970512 0.42226204253150 28.085 > 9 26 Si 0.57452934115357 0.31884703970512 0.42226204253150 28.085 > 9 27 Si 0.07452934115357 0.31884703970512 0.92226204253150 28.085 > 9 28 Si 0.57452934115357 0.31884703970512 0.92226204253150 28.085 > 9 29 Si 0.42547065884643 0.31884703970512 0.32773795746850 28.085 > 13 30 Si 0.92547065884643 0.31884703970512 0.32773795746850 28.085 > 13 31 Si 0.42547065884643 0.31884703970512 0.82773795746850 28.085 > 13 32 Si 0.92547065884643 0.31884703970512 0.82773795746850 28.085 > 13 33 As 0.37750955640544 0.80191012042471 0.10382101631797 74.922 > 33 34 As 0.87750955640544 0.80191012042471 0.10382101631797 74.922 > 33 35 As 0.37750955640544 0.80191012042471 0.60382101631797 74.922 > 33 36 As 0.87750955640544 0.80191012042471 0.60382101631797 74.922 > 33 37 As 0.12249044359456 0.80191012042471 0.14617898368203 74.922 > 37 38 As 0.62249044359455 0.80191012042471 0.14617898368203 74.922 > 37 39 As 0.12249044359456 0.80191012042471 0.64617898368203 74.922 > 37 40 As 0.62249044359455 0.80191012042471 0.64617898368203 74.922 > 37 41 As 0.11945531058687 0.57130309452533 0.12711480625563 74.922 > 41 42 As 0.61945531058687 0.57130309452533 0.12711480625563 74.922 > 41 43 As 0.11945531058687 0.57130309452533 0.62711480625563 74.922 > 41 44 As 0.61945531058687 0.57130309452533 0.62711480625563 74.922 > 41 45 As 0.38054468941313 0.57130309452533 0.12288519374437 74.922 > 45 46 As 0.88054468941313 0.57130309452533 0.12288519374437 74.922 > 45 47 As 0.38054468941313 0.57130309452533 0.62288519374437 74.922 > 45 48 As 0.88054468941313 0.57130309452533 0.62288519374437 74.922 > 45 49 As 0.13054468941313 0.92869690547467 0.37288519374437 74.922 > 49 50 As 0.63054468941313 0.92869690547467 0.37288519374437 74.922 > 49 51 As 0.13054468941313 0.92869690547467 0.87288519374437 74.922 > 49 52 As 0.63054468941313 0.92869690547467 0.87288519374437 74.922 > 49 53 As 0.36945531058687 0.92869690547467 0.37711480625563 74.922 > 53 54 As 0.86945531058687 0.92869690547467 0.37711480625563 74.922 > 53 55 As 0.36945531058687 0.92869690547467 0.87711480625563 74.922 > 53 56 As 0.86945531058687 0.92869690547467 0.87711480625563 74.922 > 53 57 As 0.12750955640545 0.69808987957529 0.35382101631797 74.922 > 57 58 As 0.62750955640545 0.69808987957529 0.35382101631797 74.922 > 57 59 As 0.12750955640545 0.69808987957529 0.85382101631797 74.922 > 57 60 As 0.62750955640545 0.69808987957529 0.85382101631797 74.922 > 57 61 As 0.37249044359456 0.69808987957529 0.39617898368203 74.922 > 61 62 As 0.87249044359456 0.69808987957529 0.39617898368203 74.922 > 61 63 As 0.37249044359456 0.69808987957529 0.89617898368203 74.922 > 61 64 As 0.87249044359456 0.69808987957529 0.89617898368203 74.922 > 61 65 As 0.12750955640545 0.30191012042471 0.10382101631797 74.922 > 33 66 As 0.62750955640545 0.30191012042471 0.10382101631797 74.922 > 33 67 As 0.12750955640545 0.30191012042471 0.60382101631797 74.922 > 33 68 As 0.62750955640545 0.30191012042471 0.60382101631797 74.922 > 33 69 As 0.37249044359456 0.30191012042471 0.14617898368203 74.922 > 37 70 As 0.87249044359456 0.30191012042471 0.14617898368203 74.922 > 37 71 As 0.37249044359456 0.30191012042471 0.64617898368203 74.922 > 37 72 As 0.87249044359456 0.30191012042471 0.64617898368203 74.922 > 37 73 As 0.36945531058687 0.07130309452533 0.12711480625563 74.922 > 41 74 As 0.86945531058687 0.07130309452533 0.12711480625563 74.922 > 41 75 As 0.36945531058687 0.07130309452533 0.62711480625563 74.922 > 41 76 As 0.86945531058687 0.07130309452533 0.62711480625563 74.922 > 41 77 As 0.13054468941313 0.07130309452533 0.12288519374437 74.922 > 45 78 As 0.63054468941313 0.07130309452533 0.12288519374437 74.922 > 45 79 As 0.13054468941313 0.07130309452533 0.62288519374437 74.922 > 45 80 As 0.63054468941313 0.07130309452533 0.62288519374437 74.922 > 45 81 As 0.38054468941313 0.42869690547467 0.37288519374437 74.922 > 49 82 As 0.88054468941313 0.42869690547467 0.37288519374437 74.922 > 49 83 As 0.38054468941313 0.42869690547467 0.87288519374437 74.922 > 49 84 As 0.88054468941313 0.42869690547467 0.87288519374437 74.922 > 49 85 As 0.11945531058687 0.42869690547467 0.37711480625563 74.922 > 53 86 As 0.61945531058687 0.42869690547467 0.37711480625563 74.922 > 53 87 As 0.11945531058687 0.42869690547467 0.87711480625563 74.922 > 53 88 As 0.61945531058687 0.42869690547467 0.87711480625563 74.922 > 53 89 As 0.37750955640544 0.19808987957529 0.35382101631797 74.922 > 57 90 As 0.87750955640544 0.19808987957529 0.35382101631797 74.922 > 57 91 As 0.37750955640544 0.19808987957529 0.85382101631797 74.922 > 57 92 As 0.87750955640544 0.19808987957529 0.85382101631797 74.922 > 57 93 As 0.12249044359456 0.19808987957529 0.39617898368203 74.922 > 61 94 As 0.62249044359455 0.19808987957529 0.39617898368203 74.922 > 61 95 As 0.12249044359456 0.19808987957529 0.89617898368203 74.922 > 61 96 As 0.62249044359455 0.19808987957529 0.89617898368203 74.922 > 61 97 Ba 0.25000000000000 0.55664154742996 0.37500000000000 137.327 > 97 98 Ba 0.75000000000000 0.55664154742996 0.37500000000000 137.327 > 97 99 Ba 0.25000000000000 0.55664154742996 0.87500000000000 137.327 > 97 100 Ba 0.75000000000000 0.55664154742996 0.87500000000000 137.327 > 97 101 Ba 0.00000000000000 0.94335845257004 0.12500000000000 137.327 > 101 102 Ba 0.50000000000000 0.94335845257004 0.12500000000000 137.327 > 101 103 Ba 0.00000000000000 0.94335845257004 0.62500000000000 137.327 > 101 104 Ba 0.50000000000000 0.94335845257004 0.62500000000000 137.327 > 101 105 Ba 0.25000000000000 0.93366588142874 0.12500000000000 137.327 > 105 106 Ba 0.75000000000000 0.93366588142874 0.12500000000000 137.327 > 105 107 Ba 0.25000000000000 0.93366588142874 0.62500000000000 137.327 > 105 108 Ba 0.75000000000000 0.93366588142874 0.62500000000000 137.327 > 105 109 Ba 0.00000000000000 0.56633411857126 0.37500000000000 137.327 > 109 110 Ba 0.50000000000000 0.56633411857126 0.37500000000000 137.327 > 109 111 Ba 0.00000000000000 0.56633411857126 0.87500000000000 137.327 > 109 112 Ba 0.50000000000000 0.56633411857126 0.87500000000000 137.327 > 109 113 Ba 0.25000000000000 0.68949734333551 0.12500000000000 137.327 > 113 114 Ba 0.75000000000000 0.68949734333551 0.12500000000000 137.327 > 113 115 Ba 0.25000000000000 0.68949734333551 0.62500000000000 137.327 > 113 116 Ba 0.75000000000000 0.68949734333551 0.62500000000000 137.327 > 113 117 Ba 0.00000000000000 0.81050265666449 0.37500000000000 137.327 > 117 118 Ba 0.50000000000000 0.81050265666449 0.37500000000000 137.327 > 117 119 Ba 0.00000000000000 0.81050265666449 0.87500000000000 137.327 > 117 120 Ba 0.50000000000000 0.81050265666449 0.87500000000000 137.327 > 117 121 Ba 0.00000000000000 0.05664154742996 0.37500000000000 137.327 > 97 122 Ba 0.50000000000000 0.05664154742996 0.37500000000000 137.327 > 97 123 Ba 0.00000000000000 0.05664154742996 0.87500000000000 137.327 > 97 124 Ba 0.50000000000000 0.05664154742996 0.87500000000000 137.327 > 97 125 Ba 0.25000000000000 0.44335845257004 0.12500000000000 137.327 > 101 126 Ba 0.75000000000000 0.44335845257004 0.12500000000000 137.327 > 101 127 Ba 0.25000000000000 0.44335845257004 0.62500000000000 137.327 > 101 128 Ba 0.75000000000000 0.44335845257004 0.62500000000000 137.327 > 101 129 Ba 0.00000000000000 0.43366588142874 0.12500000000000 137.327 > 105 130 Ba 0.50000000000000 0.43366588142874 0.12500000000000 137.327 > 105 131 Ba 0.00000000000000 0.43366588142874 0.62500000000000 137.327 > 105 132 Ba 0.50000000000000 0.43366588142874 0.62500000000000 137.327 > 105 133 Ba 0.25000000000000 0.06633411857126 0.37500000000000 137.327 > 109 134 Ba 0.75000000000000 0.06633411857126 0.37500000000000 137.327 > 109 135 Ba 0.25000000000000 0.06633411857126 0.87500000000000 137.327 > 109 136 Ba 0.75000000000000 0.06633411857126 0.87500000000000 137.327 > 109 137 Ba 0.00000000000000 0.18949734333551 0.12500000000000 137.327 > 113 138 Ba 0.50000000000000 0.18949734333551 0.12500000000000 137.327 > 113 139 Ba 0.00000000000000 0.18949734333551 0.62500000000000 137.327 > 113 140 Ba 0.50000000000000 0.18949734333551 0.62500000000000 137.327 > 113 141 Ba 0.25000000000000 0.31050265666449 0.37500000000000 137.327 > 117 142 Ba 0.75000000000000 0.31050265666449 0.37500000000000 137.327 > 117 143 Ba 0.25000000000000 0.31050265666449 0.87500000000000 137.327 > 117 144 Ba 0.75000000000000 0.31050265666449 0.87500000000000 137.327 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.5174584 0.0000000 -0.0933565 0.0000000 11.4322275 0.0000000 -0.0845160 0.0000000 10.0421149 -------------------------- Born effective charges -------------------------- 1 Si 1.1732634 0.3131202 -0.0085466 0.4994960 2.4467487 -0.9863814 0.0963671 -1.1214597 1.4662731 2 Si 1.1732634 -0.3131202 -0.0085466 -0.4994960 2.4467487 0.9863814 0.0963671 1.1214597 1.4662731 3 Si 1.1732634 0.3131202 -0.0085466 0.4994960 2.4467487 -0.9863814 0.0963671 -1.1214597 1.4662731 4 Si 1.1732634 -0.3131202 -0.0085466 -0.4994960 2.4467487 0.9863814 0.0963671 1.1214597 1.4662731 5 As -2.4663095 0.3013825 0.1747011 0.2689204 -2.8671917 0.2497113 0.1085232 0.2835713 -3.2417606 6 As -2.4663095 -0.3013825 0.1747011 -0.2689204 -2.8671917 -0.2497113 0.1085232 -0.2835713 -3.2417606 7 As -3.4430993 0.7354365 0.0186634 0.8526974 -3.9835225 -0.3139117 0.1683133 -0.4351860 -2.6014002 8 As -3.4430993 -0.7354365 0.0186634 -0.8526974 -3.9835225 0.3139117 0.1683133 0.4351860 -2.6014002 9 As -3.4430993 0.7354365 0.0186634 0.8526974 -3.9835225 -0.3139117 0.1683133 -0.4351860 -2.6014002 10 As -3.4430993 -0.7354365 0.0186634 -0.8526974 -3.9835225 0.3139117 0.1683133 0.4351860 -2.6014002 11 As -2.4663095 -0.3013825 0.1747011 -0.2689204 -2.8671917 -0.2497113 0.1085232 -0.2835713 -3.2417606 12 As -2.4663095 0.3013825 0.1747011 0.2689204 -2.8671917 0.2497113 0.1085232 0.2835713 -3.2417606 13 Ba 2.8237248 0.0000000 0.5618923 0.0000000 3.5043553 0.0000000 0.2503956 0.0000000 2.7511953 14 Ba 2.8237248 0.0000000 0.5618923 0.0000000 3.5043553 0.0000000 0.2503956 0.0000000 2.7511953 15 Ba 2.7528511 0.0000000 -0.3515938 0.0000000 3.1718880 0.0000000 -0.1813458 0.0000000 2.9791913 16 Ba 2.7528511 0.0000000 -0.3515938 0.0000000 3.1718880 0.0000000 -0.1813458 0.0000000 2.9791913 17 Ba 3.8957150 0.0000000 -0.5799342 0.0000000 2.1316879 0.0000000 -0.8154571 0.0000000 3.0233886 18 Ba 3.8957150 0.0000000 -0.5799342 0.0000000 2.1316879 0.0000000 -0.8154571 0.0000000 3.0233886 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) --------------------------- 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 ... [ 7 7 8 ] 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: 0.51, Number of G-points: 295, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/116) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 116 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 1.067 ( 0.000 0.000 0.000) 0.000 1.167 ( 0.000 0.000 0.000) 0.000 1.439 ( 0.000 0.000 0.000) 0.000 1.493 ( 0.000 0.000 0.000) 0.000 1.865 ( 0.000 0.000 0.000) 0.000 2.003 ( 0.000 0.000 0.000) 0.000 2.032 ( 0.000 0.000 0.000) 0.000 2.102 ( 0.000 0.000 0.000) 0.000 2.195 ( 0.000 0.000 0.000) 0.000 2.205 ( 0.000 0.000 0.000) 0.000 2.210 ( 0.000 0.000 0.000) 0.000 2.264 ( 0.000 0.000 0.000) 0.000 2.385 ( 0.000 0.000 0.000) 0.000 2.717 ( 0.000 0.000 0.000) 0.000 2.781 ( 0.000 0.000 0.000) 0.000 2.803 ( 0.000 0.000 0.000) 0.000 3.041 ( 0.000 0.000 0.000) 0.000 3.064 ( 0.000 0.000 0.000) 0.000 3.064 ( 0.000 0.000 0.000) 0.000 3.078 ( 0.000 0.000 0.000) 0.000 3.172 ( 0.000 0.000 0.000) 0.000 3.537 ( 0.000 0.000 0.000) 0.000 3.576 ( 0.000 0.000 0.000) 0.000 3.716 ( 0.000 0.000 0.000) 0.000 3.790 ( 0.000 0.000 0.000) 0.000 3.839 ( 0.000 0.000 0.000) 0.000 3.871 ( 0.000 0.000 0.000) 0.000 3.879 ( 0.000 0.000 0.000) 0.000 3.974 ( 0.000 0.000 0.000) 0.000 4.072 ( 0.000 0.000 0.000) 0.000 4.208 ( 0.000 0.000 0.000) 0.000 4.224 ( 0.000 0.000 0.000) 0.000 4.286 ( 0.000 0.000 0.000) 0.000 4.457 ( 0.000 0.000 0.000) 0.000 4.486 ( 0.000 0.000 0.000) 0.000 4.875 ( 0.000 0.000 0.000) 0.000 4.886 ( 0.000 0.000 0.000) 0.000 5.410 ( 0.000 0.000 0.000) 0.000 5.699 ( 0.000 0.000 0.000) 0.000 6.703 ( 0.000 0.000 0.000) 0.000 7.092 ( 0.000 0.000 0.000) 0.000 8.641 ( 0.000 0.000 0.000) 0.000 8.646 ( 0.000 0.000 0.000) 0.000 10.024 ( 0.000 0.000 0.000) 0.000 10.103 ( 0.000 0.000 0.000) 0.000 10.269 ( 0.000 0.000 0.000) 0.000 10.464 ( 0.000 0.000 0.000) 0.000 10.892 ( 0.000 0.000 0.000) 0.000 11.021 ( 0.000 0.000 0.000) 0.000 13.036 ( 0.000 0.000 0.000) 0.000 13.038 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/116) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( 21.335 -2.543 8.099) 22.962 0.524 ( 15.789 -6.670 21.987) 27.879 0.783 ( 32.124 -20.501 10.659) 39.571 1.184 ( 9.281 -0.228 2.655) 9.656 1.228 ( 1.150 0.837 5.800) 5.972 1.473 ( 3.479 -1.760 0.768) 3.974 1.518 ( 1.103 -6.108 -1.574) 6.403 1.889 ( 2.286 3.652 1.404) 4.531 1.993 ( -1.783 -3.706 -4.143) 5.838 2.017 ( -5.560 3.928 4.042) 7.917 2.099 ( -3.497 -2.868 -0.519) 4.552 2.108 ( -4.755 -0.353 0.337) 4.779 2.160 ( -6.274 -0.936 1.366) 6.489 2.243 ( 2.524 -1.343 -1.493) 3.226 2.344 ( -1.798 3.702 -0.294) 4.126 2.436 ( 3.597 0.646 0.269) 3.664 2.660 ( -5.679 1.864 -2.759) 6.583 2.672 ( -5.839 1.502 -3.713) 7.081 2.842 ( 3.997 1.489 -5.639) 7.071 2.979 ( -5.736 1.639 -0.928) 6.037 3.022 ( -1.246 4.462 -3.308) 5.693 3.094 ( 1.513 -0.652 -2.518) 3.009 3.146 ( -0.053 -4.060 -0.770) 4.133 3.216 ( 4.000 -1.126 1.899) 4.569 3.550 ( 2.061 4.443 -2.488) 5.493 3.672 ( -4.138 -0.538 1.110) 4.318 3.762 ( -4.824 0.695 -3.492) 5.995 3.799 ( 7.601 0.653 -6.949) 10.319 3.818 ( -0.473 2.228 2.099) 3.097 3.865 ( -1.270 -3.691 -1.882) 4.333 3.978 ( 8.278 3.872 -2.001) 9.355 4.043 ( 3.052 -0.072 2.972) 4.260 4.118 ( -1.178 -7.661 -8.063) 11.185 4.216 ( -3.297 -0.099 3.472) 4.789 4.244 ( -1.522 -0.324 3.835) 4.139 4.286 ( 0.684 0.197 -0.812) 1.080 4.454 ( -0.438 -0.487 -0.249) 0.701 4.483 ( -0.665 -1.130 -0.301) 1.345 4.908 ( 3.107 -1.058 0.366) 3.302 5.110 ( 2.804 8.106 1.205) 8.661 5.418 ( -0.100 -0.189 1.564) 1.579 5.685 ( -1.367 -0.156 -1.063) 1.739 6.999 ( 2.554 16.852 11.431) 20.523 7.096 ( 0.269 -1.625 -0.968) 1.911 8.637 ( -0.354 0.245 0.081) 0.438 8.643 ( -0.299 0.027 -0.193) 0.357 10.050 ( 1.358 -1.088 1.901) 2.577 10.245 ( -10.100 -25.168 -5.310) 27.634 10.297 ( 2.548 0.438 1.446) 2.962 10.455 ( -2.212 -1.326 -0.496) 2.626 10.897 ( 1.370 -0.090 -1.156) 1.795 11.019 ( -0.866 -0.927 -0.002) 1.268 13.038 ( -0.176 -0.253 0.372) 0.483 13.045 ( 0.460 -0.372 0.314) 0.670 ======================= Grid point 2 (3/116) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 17.675 -0.688 7.831) 19.345 0.976 ( 12.516 -4.351 15.847) 20.657 1.279 ( 2.162 3.450 7.159) 8.235 1.321 ( 6.042 -4.330 0.169) 7.436 1.484 ( 19.308 -14.319 6.725) 24.961 1.549 ( 3.629 -4.194 3.037) 6.323 1.629 ( 10.538 -3.727 -3.204) 11.628 1.893 ( -6.209 2.186 0.845) 6.637 1.917 ( -1.759 -0.963 4.075) 4.542 2.005 ( -2.182 -4.620 2.932) 5.890 2.022 ( -1.328 -0.557 -2.317) 2.728 2.072 ( -2.910 2.261 -0.611) 3.736 2.129 ( -0.659 -0.805 3.758) 3.899 2.248 ( -1.291 2.169 -3.215) 4.087 2.279 ( -1.868 0.910 -2.369) 3.151 2.415 ( -2.527 -1.027 -7.043) 7.553 2.500 ( -2.590 4.349 -0.919) 5.145 2.631 ( -0.133 -0.648 2.126) 2.227 2.809 ( 0.325 2.750 -4.669) 5.428 2.834 ( -7.409 3.102 -2.631) 8.452 2.932 ( -2.780 1.620 -4.234) 5.318 3.018 ( -3.562 0.180 -8.383) 9.110 3.206 ( 3.009 0.528 3.023) 4.298 3.300 ( 1.838 0.093 0.787) 2.001 3.462 ( -2.541 4.597 -2.100) 5.657 3.566 ( -6.598 -0.472 -4.952) 8.263 3.739 ( 2.705 -0.440 0.898) 2.884 3.813 ( -1.212 -0.193 2.966) 3.210 3.866 ( 5.670 -0.297 -3.387) 6.611 3.876 ( 0.791 -1.874 -0.521) 2.099 4.039 ( 2.674 -0.668 -0.515) 2.804 4.083 ( -1.828 -2.656 -2.236) 3.924 4.101 ( 0.723 -0.371 2.611) 2.735 4.196 ( -2.109 0.420 1.155) 2.440 4.240 ( 0.708 2.837 -1.403) 3.244 4.303 ( 1.255 -0.770 0.666) 1.616 4.449 ( -0.514 -0.792 -0.266) 0.981 4.480 ( -0.901 -1.417 -0.216) 1.693 4.973 ( 3.138 -1.528 0.164) 3.495 5.091 ( 0.346 3.719 -0.009) 3.735 5.446 ( 0.980 -0.172 2.804) 2.976 5.642 ( -2.466 -0.125 -1.976) 3.163 7.016 ( 2.139 7.764 5.506) 9.756 7.104 ( -0.046 -2.554 -1.427) 2.926 8.629 ( -0.446 0.334 0.085) 0.564 8.635 ( -0.404 0.007 -0.240) 0.470 10.109 ( 1.923 -1.427 2.601) 3.535 10.246 ( -5.163 -10.452 -1.227) 11.722 10.352 ( 4.032 2.611 1.217) 4.955 10.424 ( -2.639 -1.853 -0.593) 3.279 10.912 ( 2.185 -0.070 -1.405) 2.599 11.011 ( -1.396 -1.358 0.000) 1.948 13.041 ( -0.217 -0.303 0.465) 0.596 13.060 ( 0.566 -0.407 0.396) 0.802 ======================= Grid point 3 (4/116) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 8.457 0.470 5.295) 9.989 1.233 ( 7.328 -0.250 3.335) 8.055 1.300 ( 0.527 0.486 -0.095) 0.723 1.412 ( -4.104 -3.663 0.957) 5.584 1.621 ( 4.682 -0.191 7.116) 8.520 1.698 ( 6.125 -5.416 -0.251) 8.180 1.760 ( -7.063 2.736 -0.964) 7.635 1.917 ( 1.264 1.526 -1.012) 2.225 1.935 ( 2.503 -6.081 5.183) 8.373 1.986 ( -1.388 1.913 -1.109) 2.611 2.022 ( -0.355 -0.573 0.443) 0.806 2.092 ( -5.048 3.236 -7.196) 9.367 2.112 ( 0.810 1.834 -0.795) 2.157 2.186 ( 0.718 -0.415 0.234) 0.862 2.282 ( 10.964 -9.152 4.854) 15.084 2.437 ( 5.405 -1.931 0.307) 5.748 2.490 ( 0.114 -0.950 5.341) 5.426 2.640 ( -5.480 3.783 -4.634) 8.113 2.685 ( -6.516 4.840 -7.034) 10.741 2.706 ( -1.594 -1.591 4.423) 4.963 2.832 ( -4.219 0.659 -2.401) 4.899 2.879 ( -0.021 2.542 -7.776) 8.181 3.231 ( -2.097 2.094 1.906) 3.523 3.270 ( -0.903 -0.082 -1.856) 2.066 3.415 ( -0.161 0.848 0.387) 0.946 3.496 ( 0.088 -0.446 -1.433) 1.503 3.789 ( 1.865 -0.212 0.200) 1.888 3.828 ( -0.663 -0.401 2.054) 2.195 3.897 ( 0.371 -1.033 0.057) 1.099 3.898 ( 1.990 0.192 -1.782) 2.679 4.057 ( 0.428 -0.866 -1.195) 1.536 4.065 ( -1.309 -0.605 0.701) 1.603 4.130 ( 0.052 -0.052 1.501) 1.503 4.174 ( -0.908 0.188 -0.072) 0.930 4.216 ( 0.947 1.632 -1.473) 2.394 4.331 ( 0.719 -0.353 0.443) 0.915 4.447 ( -0.204 -0.457 -0.119) 0.514 4.475 ( -0.483 -0.535 -0.054) 0.723 5.019 ( 1.233 -1.263 0.057) 1.766 5.065 ( -0.306 1.916 -0.201) 1.950 5.503 ( 2.439 -0.261 3.013) 3.885 5.578 ( -2.936 0.102 -2.599) 3.922 7.037 ( 1.196 2.874 2.101) 3.756 7.107 ( -0.326 -1.579 -0.893) 1.843 8.622 ( -0.202 0.154 0.023) 0.255 8.628 ( -0.190 -0.000 -0.098) 0.214 10.173 ( 2.235 -0.677 1.801) 2.949 10.229 ( -3.189 -2.811 -0.655) 4.301 10.383 ( 1.959 2.561 0.121) 3.227 10.407 ( -1.327 -2.314 -0.073) 2.669 10.931 ( 1.348 0.040 -0.634) 1.491 11.001 ( -0.909 -0.774 0.038) 1.194 13.044 ( -0.095 -0.132 0.205) 0.262 13.072 ( 0.245 -0.173 0.177) 0.348 ======================= Grid point 8 (5/116) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 13.951 0.000 15.142) 20.589 0.890 ( 23.965 0.000 4.014) 24.299 1.266 ( 13.416 0.000 2.020) 13.568 1.325 ( 1.667 0.000 3.717) 4.074 1.356 ( 17.711 0.000 14.020) 22.589 1.495 ( 1.703 0.000 3.383) 3.787 1.611 ( 15.032 0.000 -2.808) 15.292 1.899 ( -8.358 -0.000 -1.364) 8.469 1.929 ( -3.678 -0.000 2.130) 4.250 1.932 ( -2.434 -0.000 2.072) 3.196 2.028 ( -1.420 -0.000 -1.842) 2.326 2.101 ( 1.022 0.000 -0.911) 1.369 2.111 ( -3.221 -0.000 7.187) 7.876 2.277 ( -4.667 -0.000 -5.521) 7.229 2.282 ( 3.190 0.000 -0.513) 3.231 2.408 ( -3.441 -0.000 -8.183) 8.877 2.570 ( -3.546 -0.000 -4.246) 5.532 2.592 ( -1.715 -0.000 4.522) 4.836 2.837 ( 1.221 0.000 -5.163) 5.305 2.862 ( -9.482 -0.000 -0.248) 9.486 2.948 ( -5.700 -0.000 -4.769) 7.432 3.014 ( 0.284 0.000 -8.295) 8.300 3.211 ( 3.560 0.000 3.858) 5.249 3.300 ( 2.161 0.000 0.679) 2.265 3.525 ( -2.893 -0.000 -6.709) 7.306 3.544 ( -7.823 -0.000 -1.843) 8.037 3.736 ( 2.918 0.000 1.134) 3.130 3.793 ( -1.969 -0.000 1.971) 2.786 3.856 ( 1.177 0.000 0.091) 1.181 3.871 ( 4.766 0.000 -1.577) 5.020 4.043 ( 3.274 0.000 -3.970) 5.146 4.047 ( -1.382 -0.000 0.998) 1.705 4.099 ( 0.968 0.000 2.711) 2.878 4.199 ( -1.945 -0.000 0.949) 2.164 4.280 ( 0.573 0.000 -2.665) 2.726 4.284 ( 2.419 0.000 1.176) 2.690 4.443 ( -0.373 -0.000 -0.132) 0.396 4.467 ( -0.604 -0.000 -0.191) 0.634 4.958 ( 3.284 0.000 0.159) 3.287 5.129 ( -1.353 -0.000 -0.538) 1.456 5.443 ( 0.967 0.000 2.758) 2.923 5.641 ( -2.280 -0.000 -2.063) 3.075 7.068 ( -0.389 -0.000 -2.359) 2.390 7.117 ( -0.924 -0.000 4.731) 4.820 8.633 ( -0.523 -0.000 0.203) 0.561 8.634 ( -0.488 -0.000 -0.257) 0.552 10.096 ( 2.315 0.000 2.296) 3.261 10.110 ( -0.909 -0.000 1.838) 2.050 10.377 ( 5.070 0.000 1.861) 5.401 10.425 ( -2.359 -0.000 -0.049) 2.359 10.912 ( 2.808 0.000 -2.114) 3.515 10.998 ( -1.486 -0.000 0.174) 1.496 13.039 ( -0.132 -0.000 0.490) 0.508 13.057 ( 0.780 0.000 0.332) 0.848 ======================= Grid point 9 (6/116) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 7.544 1.558 3.129) 8.315 1.223 ( 11.851 -0.619 1.209) 11.929 1.313 ( 0.100 0.912 -1.600) 1.844 1.361 ( 0.640 -2.128 1.919) 2.936 1.582 ( 9.406 -3.467 7.706) 12.644 1.645 ( -1.356 -0.169 -5.454) 5.623 1.813 ( -4.810 2.450 -1.542) 5.614 1.868 ( 7.027 0.011 7.609) 10.357 1.929 ( 6.499 -1.404 1.147) 6.747 1.955 ( -0.497 -3.892 1.373) 4.157 2.022 ( 2.766 0.350 1.632) 3.230 2.135 ( 3.375 0.537 -4.961) 6.025 2.157 ( -1.786 2.194 -1.556) 3.228 2.175 ( 4.760 -0.970 6.153) 7.840 2.199 ( -2.218 -0.518 -7.992) 8.311 2.405 ( 6.051 -0.514 3.108) 6.822 2.494 ( -1.654 0.958 1.316) 2.321 2.653 ( -3.280 -3.407 8.702) 9.904 2.711 ( -7.168 3.190 -0.981) 7.907 2.747 ( -5.622 2.200 -6.246) 8.687 2.833 ( -4.690 -0.260 -2.020) 5.113 2.915 ( -0.562 1.374 -10.010) 10.119 3.254 ( -4.756 0.755 -0.410) 4.833 3.267 ( -1.525 -0.211 0.733) 1.705 3.437 ( -0.556 1.675 -1.627) 2.401 3.470 ( -0.566 -2.152 -2.540) 3.377 3.783 ( -1.112 0.094 3.223) 3.411 3.804 ( 0.085 -1.691 2.030) 2.643 3.884 ( 1.605 -0.536 0.308) 1.720 3.910 ( 1.941 0.666 -0.297) 2.073 4.045 ( 0.482 -0.240 -0.090) 0.546 4.051 ( 0.544 -0.779 -0.463) 1.057 4.133 ( 0.406 0.200 2.283) 2.327 4.178 ( -0.560 0.193 -0.899) 1.076 4.245 ( 0.205 1.294 -3.971) 4.182 4.328 ( 2.048 -0.077 -0.126) 2.053 4.444 ( 0.477 0.001 0.172) 0.507 4.464 ( -0.093 -0.585 0.252) 0.644 4.997 ( 1.142 -0.853 0.110) 1.430 5.097 ( -1.278 1.314 -0.310) 1.859 5.499 ( 2.630 -0.138 2.956) 3.959 5.579 ( -2.692 0.059 -2.834) 3.910 7.032 ( -1.411 -1.189 -3.399) 3.867 7.142 ( 1.000 2.782 3.187) 4.347 8.625 ( -0.408 0.082 -0.096) 0.427 8.628 ( -0.357 0.010 0.249) 0.435 10.132 ( -1.660 -4.290 1.707) 4.907 10.158 ( 2.364 -1.555 1.557) 3.230 10.382 ( -2.349 0.603 -0.550) 2.487 10.465 ( 5.399 2.832 1.457) 6.268 10.938 ( 2.929 0.596 -1.613) 3.397 10.982 ( -1.293 -1.212 0.372) 1.811 13.043 ( 0.117 -0.071 0.212) 0.252 13.071 ( 0.646 -0.033 0.067) 0.650 ======================= Grid point 10 (7/116) ======================= q-point: (-0.57 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -1.765 3.339 -6.921) 7.885 1.231 ( -4.681 -0.365 -3.604) 5.919 1.297 ( -0.900 0.025 -2.354) 2.521 1.458 ( 7.131 0.831 -1.024) 7.252 1.628 ( -2.545 0.511 -10.177) 10.503 1.644 ( 1.594 -5.825 -2.481) 6.529 1.826 ( -2.811 5.320 -0.590) 6.046 1.898 ( 5.935 -1.789 9.515) 11.356 1.928 ( -2.278 -2.588 -0.868) 3.555 2.001 ( 3.737 -0.283 -1.846) 4.178 2.026 ( -1.949 1.846 -1.738) 3.198 2.089 ( 4.935 1.903 2.275) 5.758 2.142 ( 0.471 5.527 -1.556) 5.761 2.197 ( 0.120 1.139 2.225) 2.503 2.363 ( 2.063 -4.933 -2.573) 5.934 2.470 ( -10.562 7.704 0.040) 13.073 2.546 ( -5.688 2.677 -4.942) 7.996 2.602 ( 5.461 -0.906 5.038) 7.486 2.621 ( 4.340 -1.499 8.683) 9.822 2.709 ( 0.367 -0.357 0.788) 0.940 2.800 ( 0.789 -2.838 4.676) 5.526 2.848 ( -0.441 -1.713 1.372) 2.239 3.191 ( -0.637 -2.381 -2.421) 3.454 3.267 ( -0.127 -0.382 2.724) 2.753 3.411 ( 0.164 0.237 -2.986) 3.000 3.478 ( -0.303 -2.116 0.896) 2.318 3.776 ( -4.435 -1.437 2.969) 5.527 3.822 ( 0.002 -0.361 -0.832) 0.907 3.903 ( -1.048 0.515 2.024) 2.337 3.920 ( 0.051 1.058 0.624) 1.229 4.061 ( 1.762 -0.355 -0.398) 1.841 4.068 ( 0.765 0.096 1.091) 1.336 4.142 ( 0.608 1.335 -1.145) 1.861 4.174 ( 1.113 -0.028 -0.480) 1.212 4.202 ( -1.048 -0.182 -1.721) 2.023 4.338 ( 0.405 0.447 -1.295) 1.429 4.458 ( 1.122 0.748 0.353) 1.394 4.478 ( 1.105 -0.210 0.478) 1.222 5.010 ( -1.099 -1.552 0.354) 1.935 5.067 ( -0.860 1.388 -0.141) 1.639 5.507 ( -2.392 0.259 -3.201) 4.004 5.576 ( 3.434 -0.142 2.389) 4.186 6.980 ( -2.597 -2.782 -4.574) 5.950 7.161 ( 1.223 3.424 2.248) 4.275 8.620 ( -0.080 -0.091 0.006) 0.121 8.628 ( 0.011 0.020 0.353) 0.354 10.146 ( -2.059 -3.395 0.099) 3.972 10.221 ( 2.454 -1.886 0.960) 3.241 10.342 ( -1.848 -0.390 -0.831) 2.064 10.517 ( 5.332 6.636 1.058) 8.578 10.938 ( -0.954 0.931 0.381) 1.386 11.000 ( 2.011 -0.876 -0.225) 2.205 13.046 ( 0.360 0.091 -0.211) 0.427 13.076 ( 0.252 0.221 -0.295) 0.447 ======================= Grid point 11 (8/116) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -5.027 11.337 -8.086) 14.805 1.042 ( -8.148 3.876 -15.271) 17.737 1.226 ( -1.837 -2.932 -8.727) 9.388 1.403 ( -4.135 5.618 -2.672) 7.470 1.585 ( -1.906 1.839 2.002) 3.320 1.664 ( -0.498 -0.517 1.313) 1.497 1.765 ( -7.217 6.727 -7.557) 12.428 1.858 ( -3.847 5.297 -3.301) 7.331 1.907 ( -1.028 -1.753 -0.746) 2.165 2.007 ( 3.016 0.439 3.108) 4.353 2.079 ( 5.765 2.727 0.603) 6.406 2.102 ( -0.329 3.942 -2.113) 4.485 2.134 ( -3.597 2.104 -3.380) 5.366 2.239 ( 0.111 1.291 3.886) 4.096 2.261 ( 4.938 -0.495 2.988) 5.793 2.416 ( -1.767 -3.147 1.570) 3.936 2.463 ( 2.616 0.707 0.822) 2.831 2.600 ( -3.368 -3.681 -1.659) 5.258 2.750 ( 4.625 -5.076 -1.059) 6.948 2.797 ( -0.724 -0.301 10.453) 10.483 2.899 ( 1.677 -2.261 4.198) 5.055 2.996 ( 5.599 -2.579 8.641) 10.614 3.198 ( 0.288 -0.398 -1.270) 1.362 3.295 ( -1.488 -0.566 -0.279) 1.617 3.399 ( 1.241 -2.839 -0.904) 3.227 3.552 ( 5.287 -2.256 5.196) 7.749 3.735 ( -4.249 -1.075 0.980) 4.491 3.803 ( -0.746 -0.209 -1.884) 2.037 3.872 ( -5.601 0.513 2.606) 6.199 3.910 ( -0.282 1.537 0.791) 1.751 4.053 ( -1.656 0.600 -2.730) 3.249 4.108 ( 0.341 0.818 1.268) 1.547 4.119 ( 1.614 1.127 -0.390) 2.007 4.185 ( 1.661 -0.611 -0.639) 1.882 4.210 ( 1.012 -0.606 1.401) 1.831 4.313 ( -0.766 0.497 -2.041) 2.236 4.467 ( 0.954 1.170 0.075) 1.511 4.506 ( 2.182 1.596 0.842) 2.832 4.989 ( -3.273 -0.435 0.086) 3.303 5.047 ( -1.301 -0.515 -0.311) 1.434 5.447 ( -1.270 0.015 -2.963) 3.224 5.646 ( 3.067 0.298 1.787) 3.562 6.911 ( -3.622 -4.318 -6.008) 8.237 7.162 ( 0.408 3.792 1.491) 4.095 8.624 ( 0.215 -0.330 0.027) 0.395 8.634 ( 0.286 -0.016 0.360) 0.460 10.124 ( -1.847 -0.143 -1.376) 2.308 10.284 ( 2.615 -2.494 0.436) 3.640 10.315 ( -1.776 -1.381 -0.852) 2.405 10.553 ( 6.881 9.743 2.400) 12.167 10.916 ( -1.842 0.474 0.922) 2.114 11.032 ( 2.098 0.990 0.067) 2.321 13.047 ( 0.407 0.347 -0.454) 0.701 13.069 ( -0.098 0.619 -0.482) 0.791 ======================= Grid point 12 (9/116) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( -9.201 9.851 -21.880) 25.699 0.672 ( -0.653 21.430 -6.477) 22.396 1.154 ( -3.956 -0.414 -3.768) 5.479 1.211 ( -17.497 21.193 -2.533) 27.599 1.288 ( -9.578 11.251 -3.358) 15.152 1.524 ( -2.983 4.444 0.006) 5.353 1.677 ( -0.073 10.696 3.381) 11.218 1.813 ( -1.701 -5.109 -4.200) 6.829 1.909 ( 0.206 -6.624 -1.902) 6.895 2.049 ( 2.449 1.271 -0.229) 2.769 2.101 ( -0.735 -2.634 0.998) 2.911 2.110 ( 4.086 -0.350 0.257) 4.109 2.185 ( 7.409 1.650 -1.258) 7.694 2.275 ( -0.094 0.663 -1.433) 1.582 2.282 ( 0.954 -1.095 1.855) 2.356 2.416 ( -2.951 -1.629 0.622) 3.428 2.614 ( 1.979 -5.536 0.156) 5.882 2.631 ( 7.282 -1.470 7.106) 10.280 2.811 ( -0.107 -3.026 3.647) 4.740 2.920 ( 2.877 -5.328 2.280) 6.470 2.980 ( 4.424 -1.181 0.840) 4.655 3.088 ( -2.270 -0.812 1.899) 3.069 3.185 ( -4.111 1.013 2.242) 4.791 3.235 ( 1.853 0.524 -2.119) 2.864 3.484 ( 2.155 -3.227 3.421) 5.173 3.652 ( -2.624 -3.091 0.380) 4.072 3.755 ( 1.995 0.445 2.176) 2.986 3.772 ( -1.614 -1.132 1.130) 2.273 3.795 ( -4.300 -0.859 0.688) 4.439 3.912 ( -0.357 1.409 2.630) 3.005 3.972 ( -2.948 1.386 -2.811) 4.303 4.047 ( -3.054 0.859 -3.611) 4.807 4.180 ( 0.274 0.776 5.934) 5.991 4.216 ( 1.563 0.039 0.417) 1.618 4.252 ( 4.844 0.073 -1.530) 5.081 4.283 ( -0.372 -0.147 -1.247) 1.310 4.469 ( 0.687 1.181 -0.182) 1.378 4.529 ( 2.515 3.843 1.226) 4.754 4.929 ( -3.753 0.712 -0.340) 3.835 5.008 ( -4.671 -2.379 -2.368) 5.752 5.416 ( -0.114 -0.319 -1.703) 1.736 5.693 ( 1.811 0.734 1.057) 2.222 6.819 ( -5.145 -4.847 -7.774) 10.507 7.143 ( -0.188 3.682 0.859) 3.786 8.631 ( 0.249 -0.483 -0.007) 0.544 8.642 ( 0.254 -0.045 0.221) 0.340 10.077 ( -1.178 1.836 -1.470) 2.630 10.285 ( -1.737 -0.583 -0.743) 1.977 10.355 ( 2.416 -3.666 0.364) 4.406 10.638 ( 11.637 11.354 6.482) 17.503 10.898 ( -1.052 0.103 0.546) 1.190 11.046 ( 1.417 2.195 0.156) 2.617 13.044 ( 0.189 0.499 -0.352) 0.639 13.057 ( -0.115 0.916 -0.336) 0.983 ======================= Grid point 13 (10/116) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.294 ( -0.000 17.552 -0.000) 17.552 0.471 ( -0.000 27.931 -0.000) 27.931 0.652 ( -0.000 39.197 -0.000) 39.197 1.109 ( -0.000 2.848 -0.000) 2.848 1.177 ( -0.000 2.536 -0.000) 2.536 1.465 ( -0.000 3.225 -0.000) 3.225 1.590 ( -0.000 11.115 -0.000) 11.115 1.824 ( 0.000 -4.736 0.000) 4.736 1.957 ( 0.000 -7.023 0.000) 7.023 2.102 ( 0.000 -1.996 0.000) 1.996 2.118 ( 0.000 -1.486 0.000) 1.486 2.177 ( 0.000 -2.036 0.000) 2.036 2.191 ( -0.000 0.197 -0.000) 0.197 2.282 ( -0.000 1.484 -0.000) 1.484 2.297 ( 0.000 -0.685 0.000) 0.685 2.387 ( -0.000 0.258 -0.000) 0.258 2.681 ( 0.000 -4.285 0.000) 4.285 2.758 ( 0.000 -1.631 0.000) 1.631 2.834 ( -0.000 2.398 -0.000) 2.398 3.010 ( 0.000 -2.354 0.000) 2.354 3.022 ( 0.000 -6.914 0.000) 6.914 3.078 ( -0.000 0.642 -0.000) 0.642 3.122 ( -0.000 2.811 -0.000) 2.811 3.345 ( 0.000 -5.439 0.000) 5.439 3.522 ( 0.000 -1.081 0.000) 1.081 3.592 ( -0.000 1.271 -0.000) 1.271 3.694 ( 0.000 -1.608 0.000) 1.608 3.780 ( 0.000 -1.075 0.000) 1.075 3.837 ( 0.000 -1.282 0.000) 1.282 3.906 ( -0.000 3.039 -0.000) 3.039 3.946 ( -0.000 4.015 -0.000) 4.015 3.963 ( 0.000 -1.411 0.000) 1.411 4.207 ( -0.000 0.007 -0.000) 0.007 4.225 ( -0.000 0.182 -0.000) 0.182 4.280 ( 0.000 -0.784 0.000) 0.784 4.331 ( 0.000 -2.894 0.000) 2.894 4.465 ( -0.000 0.902 -0.000) 0.902 4.540 ( -0.000 4.664 -0.000) 4.664 4.872 ( -0.000 0.156 -0.000) 0.156 4.915 ( -0.000 2.707 -0.000) 2.707 5.411 ( 0.000 -0.362 0.000) 0.362 5.706 ( -0.000 0.742 -0.000) 0.742 6.711 ( -0.000 0.885 -0.000) 0.885 7.118 ( -0.000 2.941 -0.000) 2.941 8.637 ( 0.000 -0.443 0.000) 0.443 8.645 ( 0.000 -0.062 0.000) 0.062 10.043 ( -0.000 2.029 -0.000) 2.029 10.267 ( 0.000 -0.112 0.000) 0.112 10.411 ( 0.000 -3.992 0.000) 3.992 10.810 ( -0.000 0.188 -0.000) 0.188 10.892 ( -0.000 0.060 -0.000) 0.060 11.043 ( -0.000 2.311 -0.000) 2.311 13.039 ( -0.000 0.408 -0.000) 0.408 13.047 ( -0.000 0.841 -0.000) 0.841 ======================= Grid point 16 (11/116) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 4.868 0.000 -7.046) 8.564 1.225 ( -3.716 -0.000 -3.460) 5.077 1.298 ( -0.729 -0.000 -3.262) 3.343 1.441 ( 4.479 0.000 -4.690) 6.486 1.601 ( 0.670 0.000 -0.497) 0.834 1.635 ( -1.232 -0.000 -10.873) 10.943 1.866 ( 1.162 0.000 6.962) 7.059 1.874 ( -1.713 -0.000 -1.687) 2.404 1.914 ( 3.488 0.000 4.728) 5.875 1.999 ( 4.616 0.000 -1.292) 4.793 2.044 ( -4.221 -0.000 -3.172) 5.280 2.108 ( 5.276 0.000 -1.523) 5.491 2.211 ( 2.363 0.000 2.456) 3.408 2.254 ( 4.994 0.000 -1.185) 5.133 2.256 ( 0.658 0.000 0.235) 0.698 2.512 ( -5.366 -0.000 1.882) 5.686 2.590 ( 0.385 0.000 4.154) 4.172 2.591 ( -6.732 -0.000 0.072) 6.732 2.625 ( 4.788 0.000 7.465) 8.868 2.735 ( -1.770 -0.000 -1.632) 2.407 2.751 ( 2.782 0.000 5.456) 6.124 2.823 ( -4.678 -0.000 0.230) 4.683 3.168 ( -1.677 -0.000 -2.650) 3.136 3.263 ( -0.501 -0.000 3.070) 3.111 3.415 ( -0.174 -0.000 -4.566) 4.569 3.455 ( 0.166 0.000 1.108) 1.121 3.762 ( -4.951 -0.000 3.660) 6.156 3.820 ( -0.158 -0.000 0.273) 0.315 3.909 ( -0.290 -0.000 1.876) 1.899 3.926 ( -0.710 -0.000 1.222) 1.414 4.057 ( 1.895 0.000 -0.669) 2.010 4.069 ( 1.290 0.000 1.017) 1.643 4.162 ( 1.318 0.000 0.725) 1.504 4.167 ( 0.611 0.000 -1.787) 1.889 4.202 ( -1.021 -0.000 -3.223) 3.381 4.343 ( 0.873 0.000 -1.816) 2.015 4.469 ( 0.590 0.000 0.351) 0.686 4.471 ( 2.358 0.000 0.800) 2.490 4.996 ( -1.214 -0.000 0.502) 1.314 5.081 ( -1.128 -0.000 -0.218) 1.149 5.510 ( -2.434 -0.000 -3.349) 4.140 5.574 ( 3.721 0.000 2.353) 4.403 6.956 ( -2.527 -0.000 -4.693) 5.330 7.192 ( 1.021 0.000 1.927) 2.181 8.620 ( -0.193 -0.000 0.022) 0.194 8.628 ( -0.079 -0.000 0.464) 0.470 10.110 ( -0.929 -0.000 0.996) 1.361 10.202 ( 2.154 0.000 1.078) 2.409 10.345 ( -1.994 -0.000 -0.797) 2.147 10.575 ( 5.975 0.000 0.779) 6.026 10.954 ( -2.368 -0.000 1.373) 2.737 10.985 ( 4.147 0.000 -1.191) 4.314 13.047 ( 0.487 0.000 -0.219) 0.533 13.078 ( 0.461 0.000 -0.344) 0.575 ======================= Grid point 17 (12/116) ======================= q-point: (-0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -4.810 2.870 -9.717) 11.216 1.142 ( 5.145 10.602 -8.228) 14.372 1.187 ( -1.496 0.213 -11.492) 11.591 1.480 ( 3.721 -3.047 -4.773) 6.776 1.529 ( -2.913 -3.344 -3.195) 5.466 1.589 ( 0.186 -2.617 -0.535) 2.677 1.794 ( -3.154 2.509 -4.333) 5.918 1.860 ( -0.734 -3.852 -0.590) 3.965 2.016 ( 2.637 1.757 0.697) 3.245 2.053 ( -0.409 7.394 2.863) 7.940 2.108 ( 5.125 0.431 -1.196) 5.280 2.134 ( -0.025 1.401 4.032) 4.269 2.220 ( 1.812 4.262 -2.578) 5.301 2.265 ( 2.160 3.151 6.920) 7.904 2.302 ( -1.365 0.805 -4.191) 4.481 2.369 ( -7.179 1.063 1.770) 7.470 2.428 ( -4.524 -3.994 -2.098) 6.389 2.572 ( -4.196 0.558 -0.994) 4.348 2.646 ( -1.183 -7.096 -1.663) 7.384 2.805 ( -4.351 0.569 11.509) 12.317 2.868 ( 4.045 -1.083 4.128) 5.880 2.950 ( 7.389 -2.142 9.096) 11.914 3.194 ( 4.951 -0.071 0.278) 4.960 3.284 ( -2.026 -0.474 0.541) 2.150 3.371 ( -0.117 -0.642 -2.743) 2.820 3.508 ( 4.271 -2.076 4.398) 6.473 3.720 ( -3.902 -0.529 2.442) 4.633 3.804 ( -1.403 0.079 -0.461) 1.479 3.888 ( -4.365 1.309 1.562) 4.817 3.916 ( -1.845 -0.642 0.852) 2.131 4.059 ( -0.472 0.264 -5.233) 5.261 4.103 ( 2.371 -0.683 2.016) 3.186 4.145 ( -0.350 1.421 -1.848) 2.358 4.183 ( 1.510 0.129 1.096) 1.871 4.205 ( 1.462 -0.305 1.587) 2.180 4.319 ( -0.509 0.273 -2.865) 2.923 4.481 ( 0.836 0.439 0.095) 0.949 4.526 ( 3.740 0.680 1.102) 3.958 4.972 ( -3.096 -0.752 0.623) 3.247 5.057 ( -1.349 0.697 -0.488) 1.595 5.447 ( -1.536 0.010 -3.097) 3.457 5.649 ( 3.578 0.123 1.614) 3.928 6.870 ( -3.082 -1.063 -5.232) 6.164 7.211 ( 0.488 1.746 1.036) 2.088 8.620 ( 0.034 -0.127 0.103) 0.167 8.634 ( 0.200 0.001 0.476) 0.517 10.109 ( -0.791 -0.966 0.082) 1.251 10.244 ( 1.770 -1.572 0.285) 2.384 10.311 ( -1.283 0.291 -0.819) 1.550 10.662 ( 6.899 3.254 0.492) 7.644 10.927 ( -2.748 0.678 1.913) 3.416 11.040 ( 3.641 0.082 -0.138) 3.645 13.052 ( 0.604 0.162 -0.468) 0.781 13.077 ( 0.211 0.290 -0.532) 0.642 ======================= Grid point 18 (13/116) ======================= q-point: (-0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -5.431 10.110 -15.896) 19.606 1.035 ( 6.275 19.159 -5.019) 20.776 1.097 ( -0.908 -2.458 -5.921) 6.474 1.378 ( -3.063 7.695 -1.136) 8.360 1.572 ( -1.196 -0.839 -0.599) 1.579 1.645 ( -4.264 5.652 -0.525) 7.100 1.716 ( 2.207 -0.623 -0.931) 2.475 1.762 ( -7.122 8.189 -3.933) 11.544 1.910 ( -2.643 3.724 2.227) 5.081 2.053 ( -4.522 -0.706 1.117) 4.712 2.078 ( -0.828 3.939 -0.650) 4.078 2.111 ( 1.824 1.734 -0.962) 2.694 2.209 ( 6.179 1.195 -1.024) 6.376 2.256 ( 1.242 -0.914 -4.128) 4.407 2.305 ( 0.152 0.920 2.144) 2.338 2.386 ( -0.646 -2.323 1.989) 3.125 2.494 ( 0.032 -8.342 1.241) 8.433 2.615 ( 6.875 -0.742 5.937) 9.114 2.675 ( -1.957 -13.700 -1.132) 13.885 2.858 ( -2.505 -1.624 6.604) 7.247 2.976 ( 5.957 0.498 1.993) 6.302 3.074 ( 1.105 -0.790 1.868) 2.310 3.195 ( -6.534 0.449 0.696) 6.586 3.233 ( 0.106 -0.463 -2.590) 2.633 3.443 ( 5.649 -1.719 4.129) 7.205 3.596 ( -2.718 -2.899 1.898) 4.404 3.763 ( 3.261 0.443 2.973) 4.435 3.781 ( 0.853 -0.452 -0.309) 1.013 3.792 ( -5.897 2.552 0.041) 6.425 3.909 ( -2.102 -1.473 1.888) 3.187 3.988 ( -0.864 0.520 -4.283) 4.400 4.073 ( -2.620 1.755 -3.273) 4.545 4.178 ( 1.740 -0.422 3.210) 3.676 4.220 ( 0.527 0.203 2.304) 2.372 4.250 ( 2.715 -0.073 0.390) 2.744 4.281 ( -0.266 -0.058 -2.684) 2.698 4.486 ( 0.563 0.784 -0.184) 0.983 4.584 ( 3.935 2.467 1.193) 4.796 4.925 ( -4.109 -0.496 -0.001) 4.139 5.014 ( -2.254 1.414 -1.162) 2.904 5.410 ( -0.346 -0.288 -1.761) 1.818 5.704 ( 2.225 0.556 0.924) 2.473 6.784 ( -2.800 -0.600 -4.518) 5.349 7.201 ( -0.052 2.947 0.492) 2.988 8.624 ( 0.114 -0.341 0.061) 0.365 8.642 ( 0.221 0.004 0.291) 0.366 10.098 ( -0.644 0.522 -0.520) 0.979 10.283 ( -0.368 -0.302 -0.175) 0.507 10.290 ( 0.769 -2.701 -0.374) 2.833 10.749 ( 7.149 3.359 1.374) 8.018 10.902 ( -2.182 0.378 1.762) 2.830 11.080 ( 2.329 1.627 0.262) 2.853 13.053 ( 0.369 0.453 -0.357) 0.685 13.071 ( 0.061 0.694 -0.370) 0.789 ======================= Grid point 19 (14/116) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( -0.000 15.602 -0.000) 15.602 0.901 ( -0.000 24.252 -0.000) 24.252 1.090 ( 0.000 -4.117 0.000) 4.117 1.271 ( -0.000 35.972 -0.000) 35.972 1.283 ( -0.000 8.470 -0.000) 8.470 1.543 ( -0.000 5.517 -0.000) 5.517 1.727 ( 0.000 -6.501 0.000) 6.501 1.815 ( -0.000 14.746 -0.000) 14.746 1.820 ( 0.000 -9.254 0.000) 9.254 2.045 ( 0.000 -6.419 0.000) 6.419 2.073 ( 0.000 -1.055 0.000) 1.055 2.140 ( 0.000 -1.890 0.000) 1.890 2.209 ( -0.000 1.095 -0.000) 1.095 2.280 ( 0.000 -1.237 0.000) 1.237 2.308 ( -0.000 1.866 -0.000) 1.866 2.390 ( 0.000 -0.065 0.000) 0.065 2.579 ( 0.000 -8.179 0.000) 8.179 2.734 ( 0.000 -1.249 0.000) 1.249 2.820 ( 0.000 -17.669 0.000) 17.669 2.861 ( -0.000 0.617 -0.000) 0.617 3.002 ( -0.000 1.677 -0.000) 1.677 3.093 ( -0.000 1.134 -0.000) 1.134 3.144 ( 0.000 -0.291 0.000) 0.291 3.251 ( 0.000 -5.415 0.000) 5.415 3.517 ( -0.000 0.691 -0.000) 0.691 3.603 ( 0.000 -0.210 0.000) 0.210 3.682 ( -0.000 0.063 -0.000) 0.063 3.767 ( 0.000 -0.044 0.000) 0.044 3.837 ( -0.000 1.296 -0.000) 1.296 3.929 ( 0.000 -2.559 0.000) 2.559 3.949 ( -0.000 1.826 -0.000) 1.826 4.004 ( -0.000 2.919 -0.000) 2.919 4.210 ( -0.000 0.419 -0.000) 0.419 4.231 ( -0.000 0.558 -0.000) 0.558 4.262 ( 0.000 -1.378 0.000) 1.378 4.295 ( 0.000 -1.499 0.000) 1.499 4.482 ( -0.000 1.018 -0.000) 1.018 4.608 ( -0.000 3.339 -0.000) 3.339 4.879 ( -0.000 0.540 -0.000) 0.540 4.963 ( -0.000 2.887 -0.000) 2.887 5.404 ( 0.000 -0.463 0.000) 0.463 5.720 ( -0.000 0.852 -0.000) 0.852 6.728 ( -0.000 1.118 -0.000) 1.118 7.175 ( -0.000 3.626 -0.000) 3.626 8.629 ( 0.000 -0.498 0.000) 0.498 8.645 ( 0.000 -0.009 0.000) 0.009 10.078 ( -0.000 1.840 -0.000) 1.840 10.270 ( -0.000 0.549 -0.000) 0.549 10.334 ( 0.000 -4.817 0.000) 4.817 10.815 ( -0.000 0.449 -0.000) 0.449 10.893 ( -0.000 0.003 -0.000) 0.003 11.084 ( -0.000 2.418 -0.000) 2.418 13.049 ( -0.000 0.641 -0.000) 0.641 13.062 ( -0.000 0.924 -0.000) 0.924 ======================= Grid point 24 (15/116) ======================= q-point: ( 0.43 -0.57 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -2.358 -0.000 -14.430) 14.622 0.989 ( -3.122 -0.000 -6.544) 7.251 1.345 ( 10.525 0.000 -2.405) 10.796 1.411 ( -0.340 -0.000 -2.753) 2.774 1.475 ( -1.289 -0.000 -3.493) 3.723 1.578 ( 1.265 0.000 1.044) 1.640 1.787 ( -2.241 -0.000 2.230) 3.161 1.821 ( 5.020 0.000 -3.279) 5.996 2.000 ( -7.945 -0.000 -2.071) 8.210 2.047 ( -3.765 -0.000 2.465) 4.500 2.184 ( -0.588 -0.000 -4.509) 4.548 2.191 ( 1.946 0.000 -0.157) 1.952 2.236 ( 0.609 0.000 2.505) 2.578 2.247 ( -0.429 -0.000 -4.175) 4.197 2.251 ( -0.977 -0.000 1.866) 2.106 2.339 ( 0.858 0.000 1.776) 1.973 2.411 ( -1.687 -0.000 3.232) 3.646 2.499 ( -7.960 -0.000 -2.224) 8.264 2.609 ( 6.732 0.000 5.092) 8.441 2.846 ( -2.607 -0.000 7.078) 7.543 2.984 ( 6.478 0.000 3.395) 7.314 3.066 ( 2.919 0.000 1.058) 3.105 3.199 ( -7.297 -0.000 -0.193) 7.300 3.228 ( -1.785 -0.000 -2.822) 3.339 3.429 ( 7.519 0.000 4.618) 8.824 3.571 ( -1.523 -0.000 2.352) 2.802 3.770 ( -2.719 -0.000 -1.288) 3.009 3.775 ( 7.061 0.000 3.841) 8.038 3.823 ( -5.691 -0.000 -0.044) 5.691 3.887 ( -2.010 -0.000 1.760) 2.672 3.992 ( -0.725 -0.000 -4.869) 4.922 4.089 ( -2.372 -0.000 -3.249) 4.023 4.175 ( 2.129 0.000 3.142) 3.795 4.220 ( 0.149 0.000 2.558) 2.562 4.250 ( 2.630 0.000 0.626) 2.703 4.281 ( -0.833 -0.000 -2.992) 3.106 4.493 ( 0.505 0.000 -0.092) 0.513 4.604 ( 4.256 0.000 1.017) 4.376 4.921 ( -3.685 -0.000 0.343) 3.701 5.027 ( -1.846 -0.000 -0.993) 2.096 5.408 ( -0.458 -0.000 -1.787) 1.844 5.709 ( 2.403 0.000 0.848) 2.548 6.781 ( -2.161 -0.000 -3.687) 4.274 7.227 ( -0.008 -0.000 0.317) 0.317 8.621 ( 0.059 0.000 0.085) 0.104 8.642 ( 0.209 0.000 0.332) 0.393 10.100 ( -0.202 -0.000 -0.014) 0.202 10.258 ( 0.927 0.000 -0.065) 0.929 10.291 ( -0.611 -0.000 -0.505) 0.793 10.773 ( 6.361 0.000 -1.040) 6.446 10.906 ( -3.274 -0.000 2.839) 4.334 11.094 ( 2.726 0.000 0.294) 2.742 13.057 ( 0.456 0.000 -0.363) 0.583 13.077 ( 0.122 0.000 -0.387) 0.406 ======================= Grid point 26 (16/116) ======================= q-point: (-0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -0.000 12.069 -0.000) 12.069 0.983 ( 0.000 -8.157 0.000) 8.157 1.263 ( -0.000 19.162 -0.000) 19.162 1.413 ( -0.000 6.274 -0.000) 6.274 1.525 ( 0.000 -10.633 0.000) 10.633 1.630 ( 0.000 -6.038 0.000) 6.038 1.754 ( -0.000 4.741 -0.000) 4.741 1.790 ( -0.000 24.064 -0.000) 24.064 1.924 ( 0.000 -7.526 0.000) 7.526 1.980 ( -0.000 1.938 -0.000) 1.938 2.093 ( -0.000 5.130 -0.000) 5.130 2.167 ( -0.000 6.298 -0.000) 6.298 2.220 ( -0.000 0.304 -0.000) 0.304 2.265 ( 0.000 -0.288 0.000) 0.288 2.343 ( -0.000 2.149 -0.000) 2.149 2.379 ( 0.000 -1.257 0.000) 1.257 2.419 ( 0.000 -11.115 0.000) 11.115 2.486 ( 0.000 -19.391 0.000) 19.391 2.719 ( 0.000 -0.502 0.000) 0.502 2.861 ( 0.000 -0.194 0.000) 0.194 3.053 ( -0.000 3.888 -0.000) 3.888 3.114 ( 0.000 -3.093 0.000) 3.093 3.114 ( -0.000 1.379 -0.000) 1.379 3.179 ( 0.000 -3.034 0.000) 3.034 3.543 ( -0.000 2.230 -0.000) 2.230 3.582 ( 0.000 -2.188 0.000) 2.188 3.686 ( -0.000 0.261 -0.000) 0.261 3.780 ( -0.000 1.117 -0.000) 1.117 3.867 ( -0.000 1.581 -0.000) 1.581 3.889 ( 0.000 -1.846 0.000) 1.846 3.962 ( -0.000 0.008 -0.000) 0.008 4.037 ( -0.000 0.994 -0.000) 0.994 4.220 ( -0.000 0.681 -0.000) 0.681 4.240 ( 0.000 -1.132 0.000) 1.132 4.242 ( -0.000 0.559 -0.000) 0.559 4.278 ( 0.000 -0.627 0.000) 0.627 4.495 ( -0.000 0.423 -0.000) 0.423 4.645 ( -0.000 1.157 -0.000) 1.157 4.886 ( -0.000 0.266 -0.000) 0.266 4.999 ( -0.000 1.209 -0.000) 1.209 5.398 ( 0.000 -0.222 0.000) 0.222 5.731 ( -0.000 0.357 -0.000) 0.357 6.743 ( -0.000 0.500 -0.000) 0.500 7.221 ( -0.000 1.601 -0.000) 1.601 8.623 ( 0.000 -0.200 0.000) 0.200 8.645 ( -0.000 0.020 -0.000) 0.020 10.097 ( -0.000 0.491 -0.000) 0.491 10.273 ( 0.000 -2.112 0.000) 2.112 10.282 ( -0.000 0.577 -0.000) 0.577 10.822 ( -0.000 0.237 -0.000) 0.237 10.892 ( 0.000 -0.029 0.000) 0.029 11.113 ( -0.000 0.974 -0.000) 0.974 13.057 ( -0.000 0.301 -0.000) 0.301 13.074 ( -0.000 0.397 -0.000) 0.397 ======================= Grid point 51 (17/116) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.311 ( -0.477 -0.000 15.792) 15.799 0.322 ( -0.323 -0.000 16.285) 16.288 0.806 ( 2.962 0.000 38.869) 38.982 1.095 ( 0.239 0.000 2.406) 2.417 1.312 ( 1.996 0.000 0.082) 1.998 1.457 ( -0.309 -0.000 0.930) 0.980 1.502 ( 0.838 0.000 0.930) 1.252 1.907 ( 4.423 0.000 -4.872) 6.580 2.009 ( -11.538 -0.000 -0.656) 11.557 2.066 ( -0.937 -0.000 -3.248) 3.380 2.169 ( -0.767 -0.000 3.069) 3.163 2.221 ( -3.094 -0.000 5.630) 6.424 2.230 ( -2.646 -0.000 1.020) 2.836 2.231 ( -5.036 -0.000 3.272) 6.005 2.389 ( 2.987 0.000 0.438) 3.019 2.397 ( 1.444 0.000 -2.885) 3.226 2.663 ( -1.428 -0.000 -12.519) 12.600 2.682 ( -2.551 -0.000 -11.747) 12.021 2.745 ( 2.678 0.000 1.140) 2.910 2.958 ( 2.977 0.000 -6.570) 7.213 3.036 ( 1.599 0.000 -1.234) 2.020 3.093 ( -11.405 -0.000 -2.765) 11.735 3.115 ( 0.843 0.000 1.967) 2.140 3.199 ( 2.620 0.000 2.305) 3.490 3.540 ( -2.135 -0.000 0.534) 2.200 3.544 ( 5.700 0.000 -3.703) 6.797 3.721 ( 7.341 0.000 -0.166) 7.342 3.795 ( -1.670 -0.000 1.478) 2.231 3.816 ( -6.628 -0.000 -4.657) 8.101 3.876 ( -2.092 -0.000 1.818) 2.772 3.961 ( -1.342 -0.000 5.253) 5.422 4.011 ( 3.663 0.000 2.955) 4.706 4.088 ( 0.280 0.000 1.837) 1.859 4.234 ( 0.738 0.000 1.022) 1.261 4.255 ( 0.816 0.000 -3.159) 3.263 4.391 ( -3.680 -0.000 -5.346) 6.490 4.451 ( 0.099 0.000 -0.519) 0.528 4.535 ( -11.463 -0.000 1.590) 11.573 4.873 ( 0.890 0.000 -0.182) 0.909 5.018 ( 11.677 0.000 -0.633) 11.694 5.427 ( 0.897 0.000 1.718) 1.939 5.696 ( -1.251 -0.000 -0.458) 1.332 6.909 ( 19.592 0.000 0.144) 19.593 7.078 ( -0.604 -0.000 -1.357) 1.486 8.634 ( 0.576 0.000 -0.658) 0.874 8.646 ( -0.255 -0.000 -0.067) 0.264 10.119 ( 0.446 0.000 1.521) 1.585 10.264 ( -2.912 -0.000 2.312) 3.718 10.337 ( -11.970 -0.000 -0.014) 11.970 10.467 ( 0.078 0.000 0.315) 0.324 10.908 ( -2.857 -0.000 1.638) 3.293 11.022 ( 0.053 0.000 0.043) 0.068 13.037 ( 0.423 0.000 -0.026) 0.424 13.040 ( 0.255 0.000 0.358) 0.440 ======================= Grid point 52 (18/116) ======================= q-point: ( 0.14 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 14.688 -4.555 11.375) 19.127 0.781 ( 22.058 -14.903 9.349) 28.215 1.169 ( 3.957 -1.585 8.269) 9.303 1.246 ( 11.805 -2.098 3.495) 12.488 1.385 ( 4.522 -2.362 16.045) 16.836 1.456 ( 1.581 -0.212 -2.365) 2.853 1.543 ( 1.699 -2.552 7.455) 8.061 1.920 ( 1.297 0.486 -4.054) 4.284 1.951 ( -0.116 -3.122 -1.935) 3.675 2.036 ( 0.327 1.594 1.567) 2.259 2.047 ( -7.860 -1.267 -2.196) 8.259 2.128 ( -8.289 1.066 -3.771) 9.169 2.207 ( -3.162 -0.381 1.957) 3.738 2.272 ( -0.305 3.383 4.995) 6.040 2.304 ( -3.808 -0.192 -4.260) 5.717 2.365 ( -3.464 -0.064 -10.467) 11.026 2.535 ( -0.921 2.286 -4.298) 4.954 2.621 ( 3.460 -1.227 -0.070) 3.672 2.753 ( 2.243 4.277 -3.343) 5.874 2.855 ( -2.436 -1.930 -8.503) 9.053 2.990 ( -4.121 0.985 -0.436) 4.259 3.064 ( -3.283 1.892 2.460) 4.517 3.198 ( 3.719 0.756 3.861) 5.414 3.266 ( 2.366 -1.449 2.719) 3.885 3.499 ( -1.294 3.679 -2.253) 4.504 3.585 ( -0.652 -2.630 -6.039) 6.619 3.695 ( -0.060 0.114 -3.115) 3.118 3.769 ( 1.320 0.957 3.244) 3.631 3.824 ( 4.795 1.771 -1.356) 5.288 3.873 ( -0.845 -1.285 0.512) 1.621 3.997 ( -0.143 -1.423 2.502) 2.882 4.068 ( 0.617 -1.844 0.427) 1.991 4.119 ( 0.368 -0.050 3.178) 3.200 4.225 ( 0.728 1.772 -3.781) 4.238 4.254 ( -1.966 -0.329 0.417) 2.037 4.285 ( -2.498 -1.406 -1.267) 3.134 4.448 ( -0.261 -0.530 -0.393) 0.709 4.480 ( -1.333 -0.599 0.243) 1.481 4.911 ( 3.280 -0.907 -0.020) 3.403 5.078 ( 3.657 3.222 -2.804) 5.623 5.462 ( 0.695 -0.168 2.898) 2.985 5.660 ( -2.371 -0.281 -1.467) 2.802 7.044 ( 4.658 4.579 -1.627) 6.731 7.065 ( 2.176 -0.498 -2.285) 3.195 8.633 ( 0.195 0.288 -0.435) 0.557 8.638 ( -0.430 0.063 -0.294) 0.525 10.136 ( -0.211 0.033 4.270) 4.276 10.233 ( -6.797 -9.482 2.671) 11.969 10.325 ( 2.701 0.616 0.987) 2.941 10.453 ( -1.611 1.088 0.176) 1.952 10.895 ( -1.253 -1.305 0.882) 2.013 11.022 ( -0.734 -0.886 0.429) 1.228 13.046 ( 0.049 -0.143 0.341) 0.373 13.050 ( 0.575 -0.513 0.228) 0.803 ======================= Grid point 53 (19/116) ======================= q-point: ( 0.29 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 14.080 -2.425 8.073) 16.410 1.145 ( 4.059 -5.010 2.381) 6.873 1.288 ( 3.856 -2.759 -1.025) 4.851 1.401 ( 2.967 -4.595 1.454) 5.659 1.501 ( 5.559 -6.051 -1.872) 8.428 1.525 ( 10.777 -0.340 -2.854) 11.154 1.849 ( 3.839 -0.835 4.480) 5.959 1.861 ( -7.621 -2.277 -7.290) 10.789 1.891 ( -0.065 -2.669 -0.612) 2.739 1.943 ( 3.555 -0.303 -5.862) 6.862 2.035 ( 1.774 -1.630 3.413) 4.178 2.095 ( -0.935 2.134 1.929) 3.025 2.149 ( -3.990 1.922 -4.808) 6.537 2.193 ( -1.922 -4.530 -0.186) 4.925 2.230 ( -1.583 -0.382 4.814) 5.082 2.329 ( 5.558 2.194 0.008) 5.975 2.526 ( -0.410 -2.406 2.748) 3.676 2.675 ( 3.061 5.252 -9.019) 10.877 2.692 ( 0.561 3.521 2.138) 4.158 2.762 ( -4.937 0.210 -2.565) 5.568 2.903 ( -5.792 2.462 1.755) 6.534 2.991 ( -7.877 1.363 7.191) 10.753 3.265 ( 1.936 2.137 2.834) 4.043 3.312 ( -2.062 0.760 0.419) 2.238 3.419 ( -2.989 -1.023 -3.376) 4.624 3.487 ( -1.523 0.803 -1.316) 2.167 3.731 ( 4.391 0.861 -1.394) 4.687 3.845 ( 3.527 -0.390 2.922) 4.596 3.860 ( 3.374 2.859 0.066) 4.422 3.880 ( 0.288 -1.423 -0.156) 1.460 4.017 ( -0.321 -2.104 -0.702) 2.241 4.084 ( -0.552 -1.425 0.496) 1.607 4.129 ( -0.181 1.420 -2.503) 2.883 4.185 ( -0.886 0.041 -0.773) 1.176 4.211 ( -1.051 -1.007 -0.449) 1.524 4.302 ( 1.404 -1.178 -0.636) 1.940 4.446 ( -0.291 -0.558 0.032) 0.630 4.474 ( -0.455 -0.793 -0.365) 0.984 4.969 ( 3.217 -1.234 -0.488) 3.480 5.064 ( 1.507 2.664 -2.424) 3.904 5.507 ( 1.082 -0.246 3.442) 3.617 5.602 ( -3.337 -0.419 -2.099) 3.964 7.030 ( -0.595 -1.430 -2.751) 3.156 7.092 ( 3.513 2.938 -0.163) 4.583 8.626 ( -0.276 0.308 -0.357) 0.547 8.630 ( -0.029 0.276 -0.273) 0.389 10.185 ( -0.077 -0.511 4.597) 4.626 10.240 ( -3.871 -7.262 0.278) 8.234 10.365 ( 3.356 3.093 0.070) 4.565 10.415 ( -1.793 0.504 -0.241) 1.878 10.908 ( 0.222 -1.350 0.785) 1.578 11.024 ( -1.327 -1.303 1.469) 2.370 13.047 ( -0.309 -0.282 0.076) 0.425 13.065 ( 0.471 -0.548 0.085) 0.727 ======================= Grid point 54 (20/116) ======================= q-point: ( 0.43 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -3.584 -3.791 -2.996) 6.016 1.231 ( 1.748 -0.831 -3.749) 4.219 1.312 ( 5.090 -0.562 2.858) 5.864 1.371 ( -5.854 -2.667 -4.839) 8.050 1.547 ( 0.709 -5.197 -9.910) 11.212 1.625 ( 0.315 -1.074 -5.230) 5.349 1.781 ( 0.489 4.420 -4.731) 6.493 1.831 ( 8.125 -4.508 -4.424) 10.291 1.881 ( 6.231 -0.436 -3.599) 7.209 2.021 ( -4.914 -0.660 4.397) 6.627 2.040 ( -1.473 0.085 1.857) 2.372 2.072 ( 0.303 -1.441 1.912) 2.413 2.091 ( 0.460 1.234 -2.899) 3.184 2.221 ( 1.139 -0.415 3.480) 3.686 2.357 ( 3.800 -4.459 0.703) 5.901 2.531 ( -3.025 3.536 -5.625) 7.301 2.542 ( 3.176 4.723 7.357) 9.302 2.579 ( -0.703 3.372 0.223) 3.451 2.620 ( -1.329 1.110 2.239) 2.830 2.684 ( 2.303 0.315 2.163) 3.175 2.844 ( -2.174 -0.584 4.234) 4.796 3.008 ( -3.909 -1.078 12.628) 13.263 3.210 ( -3.617 0.441 -2.336) 4.328 3.288 ( 0.400 2.040 1.872) 2.798 3.397 ( -0.412 -1.568 -1.501) 2.209 3.504 ( 0.642 -1.392 2.085) 2.588 3.757 ( 3.294 2.669 -2.518) 4.931 3.850 ( -1.026 2.419 -1.073) 2.839 3.903 ( 1.076 -0.211 0.573) 1.237 3.922 ( 1.962 0.199 3.272) 3.820 4.018 ( 1.046 -0.922 -2.061) 2.488 4.079 ( 0.896 1.337 -1.016) 1.903 4.100 ( -0.288 -1.569 -1.355) 2.092 4.169 ( -0.591 -1.063 -0.481) 1.308 4.226 ( -0.424 -1.971 1.079) 2.287 4.316 ( 0.655 -0.739 -1.733) 1.995 4.449 ( 0.001 -0.068 0.360) 0.366 4.471 ( 0.147 -0.037 -0.405) 0.432 5.010 ( 1.889 -0.746 -0.955) 2.244 5.044 ( 1.036 1.331 -1.795) 2.463 5.524 ( -3.470 -0.114 -2.334) 4.184 5.569 ( 1.503 -0.511 3.065) 3.452 6.997 ( -2.036 -3.556 -4.549) 6.123 7.117 ( 2.616 3.052 0.767) 4.092 8.618 ( 0.037 0.152 -0.534) 0.556 8.627 ( 0.206 0.338 0.056) 0.400 10.204 ( -1.570 1.268 0.405) 2.058 10.238 ( -1.764 -1.961 2.289) 3.493 10.374 ( -0.592 -2.160 -0.773) 2.370 10.402 ( 2.058 3.236 -0.493) 3.867 10.932 ( 0.738 -0.748 0.655) 1.238 11.031 ( -1.793 -0.714 2.910) 3.492 13.043 ( -0.276 -0.139 -0.329) 0.452 13.071 ( -0.019 -0.322 -0.266) 0.418 ======================= Grid point 55 (21/116) ======================= q-point: (-0.43 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -11.693 0.733 -9.213) 14.904 1.103 ( -17.470 -3.829 -7.500) 19.393 1.204 ( -1.116 -3.267 -6.202) 7.098 1.382 ( -0.222 3.570 -0.601) 3.627 1.547 ( 3.989 1.811 0.749) 4.444 1.725 ( 3.907 -2.520 -2.869) 5.463 1.734 ( 2.137 -3.707 0.744) 4.343 1.811 ( 1.133 4.543 -4.384) 6.415 1.925 ( -4.146 2.459 0.171) 4.824 1.981 ( -0.868 0.626 -2.320) 2.555 2.003 ( -1.619 3.406 -0.631) 3.824 2.037 ( -2.145 0.613 -3.443) 4.103 2.185 ( -3.720 1.526 1.723) 4.375 2.264 ( -1.877 0.473 2.963) 3.540 2.277 ( -1.044 0.322 3.261) 3.440 2.425 ( 2.208 0.828 0.724) 2.466 2.460 ( 0.648 -0.162 1.013) 1.214 2.605 ( 2.259 2.641 -3.701) 5.077 2.703 ( 3.038 -0.376 1.736) 3.519 2.842 ( 9.638 -2.819 5.665) 11.530 2.921 ( -2.164 -0.312 6.525) 6.882 3.082 ( -2.090 -2.560 5.747) 6.630 3.198 ( 1.039 -2.291 -0.877) 2.664 3.306 ( 0.522 0.294 1.781) 1.878 3.400 ( 1.909 -2.453 0.306) 3.123 3.555 ( 1.744 -0.347 4.653) 4.982 3.745 ( 2.323 2.717 -3.342) 4.894 3.783 ( -2.398 1.662 -2.581) 3.895 3.912 ( -1.434 0.578 1.906) 2.454 3.959 ( -1.253 -0.792 2.215) 2.666 4.028 ( 2.772 1.148 -1.906) 3.555 4.086 ( -0.107 -0.678 -1.977) 2.093 4.105 ( 1.627 1.130 2.370) 3.089 4.182 ( 0.406 -0.766 2.162) 2.329 4.233 ( -1.448 -2.879 -1.283) 3.469 4.302 ( -0.284 -0.318 -1.893) 1.941 4.453 ( 0.277 0.467 0.581) 0.796 4.473 ( 0.952 0.878 -0.150) 1.304 5.009 ( -0.563 1.036 -0.986) 1.537 5.048 ( 1.277 -1.494 -1.940) 2.762 5.448 ( -2.809 0.076 -2.591) 3.822 5.629 ( 2.006 -0.296 2.596) 3.294 6.938 ( -3.056 -4.655 -6.773) 8.769 7.132 ( 1.314 2.973 0.975) 3.394 8.616 ( 0.553 -0.037 -0.697) 0.890 8.632 ( 0.407 0.187 0.311) 0.546 10.147 ( -2.502 2.269 -1.041) 3.534 10.259 ( 1.462 2.638 2.598) 3.981 10.366 ( -2.772 -3.889 -1.286) 4.946 10.410 ( 3.398 4.261 0.236) 5.455 10.951 ( -0.107 -0.552 1.186) 1.313 11.033 ( -1.887 0.912 3.284) 3.895 13.036 ( 0.015 0.144 -0.547) 0.566 13.065 ( -0.404 0.055 -0.589) 0.716 ======================= Grid point 56 (22/116) ======================= q-point: (-0.29 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( -15.824 5.026 -3.260) 16.920 0.768 ( -23.466 -2.822 -2.358) 23.752 1.181 ( -1.354 -3.761 -2.487) 4.708 1.313 ( -3.934 3.756 0.267) 5.446 1.404 ( -27.012 19.801 0.186) 33.493 1.547 ( -2.749 2.863 0.465) 3.996 1.703 ( -10.067 6.260 2.939) 12.213 1.855 ( 2.048 -2.742 0.901) 3.539 1.863 ( 5.118 -1.203 -4.093) 6.663 1.980 ( 5.560 -0.995 -0.492) 5.670 2.012 ( 5.404 0.593 -1.196) 5.566 2.067 ( 4.550 -0.726 2.418) 5.203 2.104 ( 0.516 2.624 -0.445) 2.711 2.300 ( -1.909 -1.147 1.202) 2.531 2.319 ( 0.365 -3.835 2.736) 4.725 2.474 ( -2.070 -0.999 0.232) 2.310 2.577 ( 8.866 -1.413 4.642) 10.107 2.596 ( 2.900 -0.629 -0.971) 3.123 2.816 ( 7.399 -3.057 -0.832) 8.049 2.919 ( -0.997 -0.109 2.173) 2.393 2.992 ( -0.165 -4.473 -2.428) 5.092 3.112 ( 6.286 1.509 0.883) 6.524 3.139 ( -4.726 0.241 -3.792) 6.064 3.303 ( -4.492 -0.140 0.823) 4.569 3.506 ( 4.542 -4.277 0.868) 6.299 3.648 ( 1.639 0.770 3.033) 3.532 3.728 ( 0.316 0.268 0.471) 0.627 3.753 ( 3.968 0.531 0.478) 4.032 3.892 ( -3.129 0.654 2.418) 4.008 3.946 ( -2.779 -0.016 0.858) 2.908 4.026 ( -1.456 -0.817 -1.123) 2.012 4.055 ( -1.892 0.273 -2.011) 2.775 4.125 ( 1.810 2.995 -2.858) 4.518 4.209 ( 0.039 -0.625 -1.457) 1.586 4.257 ( 2.316 -1.630 6.673) 7.249 4.288 ( -0.141 -0.479 -0.377) 0.625 4.461 ( 0.913 1.451 0.565) 1.805 4.482 ( 0.309 -0.019 1.524) 1.555 4.962 ( -2.995 1.301 -1.021) 3.422 5.045 ( -0.492 -2.838 -5.091) 5.849 5.402 ( -0.359 0.026 -1.564) 1.605 5.678 ( 1.486 0.104 1.721) 2.277 6.848 ( -4.024 -4.818 -9.380) 11.287 7.126 ( -0.040 2.598 0.572) 2.661 8.621 ( 0.902 -0.196 -0.808) 1.227 8.640 ( 0.352 0.028 0.366) 0.509 10.091 ( -1.935 1.491 0.139) 2.447 10.290 ( 3.256 5.525 2.355) 6.831 10.339 ( -1.429 -0.457 0.976) 1.790 10.436 ( 4.042 4.191 0.648) 5.858 10.959 ( -2.194 -0.491 2.796) 3.588 11.025 ( -0.632 1.999 1.766) 2.741 13.032 ( 0.342 0.339 -0.416) 0.636 13.050 ( -0.409 0.367 -0.636) 0.841 ======================= Grid point 57 (23/116) ======================= q-point: (-0.14 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( -24.149 -0.922 5.197) 24.719 0.472 ( -12.194 4.826 24.153) 27.484 0.783 ( -31.382 23.880 8.572) 40.356 1.169 ( -6.226 -1.676 1.860) 6.711 1.223 ( -3.000 2.428 3.855) 5.455 1.470 ( -3.247 0.860 0.469) 3.392 1.541 ( -3.109 7.079 0.384) 7.741 1.889 ( 5.434 0.451 -6.209) 8.264 2.023 ( 2.212 -10.094 9.930) 14.332 2.063 ( 5.051 -2.325 -2.106) 5.946 2.113 ( 4.420 -3.274 -0.271) 5.507 2.146 ( 4.599 1.743 5.545) 7.412 2.181 ( 6.041 1.390 5.517) 8.298 2.276 ( -2.743 -0.082 0.540) 2.797 2.320 ( -4.065 -0.238 -0.372) 4.089 2.420 ( -4.215 -0.040 -0.992) 4.330 2.658 ( 4.479 -1.334 -0.489) 4.699 2.738 ( 4.896 -0.476 0.066) 4.919 2.862 ( -6.193 -0.364 -4.691) 7.777 2.897 ( 5.274 -1.247 -9.117) 10.606 3.002 ( 4.269 -6.095 -3.439) 8.197 3.074 ( 2.706 1.476 -1.091) 3.269 3.205 ( -6.039 1.018 -1.042) 6.212 3.252 ( 6.187 -1.203 3.349) 7.137 3.566 ( -1.121 -4.273 -1.780) 4.763 3.632 ( 2.018 2.684 -1.136) 3.545 3.779 ( -1.819 -2.415 -1.899) 3.570 3.791 ( -10.243 -1.053 -9.995) 14.350 3.858 ( 2.928 -0.488 2.368) 3.797 3.898 ( -0.541 2.795 4.503) 5.328 3.961 ( -4.819 -0.339 1.168) 4.970 3.990 ( -3.766 0.736 -2.078) 4.364 4.085 ( 1.870 4.013 -1.845) 4.797 4.217 ( 0.912 -0.112 -0.035) 0.919 4.272 ( 0.275 -0.425 -2.321) 2.375 4.403 ( 5.734 -0.380 -0.462) 5.765 4.460 ( 1.311 2.168 -1.193) 2.800 4.585 ( 3.150 -7.581 14.564) 16.718 4.895 ( -2.554 0.915 -1.072) 2.917 4.936 ( -7.443 -1.624 -10.486) 12.961 5.403 ( 1.035 0.060 0.122) 1.044 5.703 ( 0.363 0.306 0.836) 0.962 6.721 ( -3.622 -0.171 -3.389) 4.963 7.103 ( -0.669 1.622 -0.293) 1.779 8.629 ( 0.896 -0.203 -0.792) 1.213 8.647 ( 0.062 -0.024 0.196) 0.207 10.082 ( -0.765 -1.985 2.292) 3.127 10.276 ( -1.251 0.766 0.091) 1.470 10.406 ( 6.302 4.440 4.061) 8.713 10.474 ( 6.949 8.833 0.238) 11.241 10.944 ( -3.364 1.036 3.211) 4.765 11.021 ( 0.528 1.217 0.179) 1.339 13.033 ( 0.407 0.229 -0.049) 0.470 13.038 ( 0.030 0.446 -0.332) 0.557 ======================= Grid point 59 (24/116) ======================= q-point: ( 0.14 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 18.576 0.000 5.923) 19.497 1.070 ( 7.199 0.000 4.202) 8.336 1.242 ( 11.298 0.000 -0.796) 11.326 1.370 ( -1.203 -0.000 0.119) 1.209 1.457 ( 2.742 0.000 0.149) 2.746 1.535 ( 12.270 0.000 -4.311) 13.005 1.823 ( -2.136 -0.000 -7.888) 8.172 1.853 ( -3.832 -0.000 -2.790) 4.740 1.858 ( 5.406 0.000 13.580) 14.617 1.967 ( 2.623 0.000 -6.457) 6.970 1.988 ( 2.931 0.000 0.711) 3.015 2.122 ( -6.476 -0.000 -7.505) 9.913 2.129 ( -1.823 -0.000 6.151) 6.416 2.192 ( 0.537 0.000 1.752) 1.832 2.215 ( -3.275 -0.000 -4.314) 5.416 2.372 ( 3.059 0.000 5.734) 6.499 2.498 ( -0.233 -0.000 -1.070) 1.095 2.718 ( 3.114 0.000 -2.430) 3.949 2.725 ( -1.476 -0.000 -2.712) 3.087 2.763 ( -1.155 -0.000 -3.197) 3.399 2.925 ( -6.128 -0.000 1.662) 6.349 3.001 ( -9.536 -0.000 7.843) 12.347 3.289 ( 2.101 0.000 4.193) 4.690 3.314 ( -1.214 -0.000 0.584) 1.347 3.409 ( -2.866 -0.000 -5.289) 6.016 3.496 ( -4.249 -0.000 -1.921) 4.663 3.735 ( 5.233 0.000 -0.656) 5.274 3.839 ( 2.103 0.000 3.907) 4.437 3.868 ( 0.988 0.000 0.188) 1.006 3.887 ( 3.319 0.000 0.074) 3.319 3.998 ( 0.099 0.000 -0.536) 0.545 4.067 ( -0.413 -0.000 0.934) 1.021 4.144 ( 0.066 0.000 -0.062) 0.091 4.183 ( -2.577 -0.000 -3.054) 3.996 4.205 ( 0.700 0.000 -2.893) 2.977 4.292 ( 1.654 0.000 -0.129) 1.659 4.444 ( -0.028 -0.000 0.248) 0.250 4.465 ( -0.382 -0.000 -0.081) 0.391 4.957 ( 3.222 0.000 -0.215) 3.229 5.090 ( 1.001 0.000 -3.083) 3.242 5.504 ( 1.066 0.000 3.483) 3.642 5.599 ( -3.143 -0.000 -2.297) 3.893 7.011 ( -1.146 -0.000 -3.477) 3.661 7.130 ( 3.794 0.000 -1.591) 4.114 8.629 ( -0.415 -0.000 -0.390) 0.570 8.633 ( -0.026 -0.000 -0.134) 0.137 10.148 ( -0.981 -0.000 1.964) 2.195 10.191 ( -2.307 -0.000 5.902) 6.337 10.400 ( 5.118 0.000 0.184) 5.122 10.425 ( -2.891 -0.000 0.020) 2.891 10.895 ( 1.011 0.000 0.326) 1.062 11.012 ( -1.224 -0.000 1.439) 1.889 13.045 ( -0.244 -0.000 0.083) 0.258 13.060 ( 0.703 0.000 0.012) 0.703 ======================= Grid point 60 (25/116) ======================= q-point: ( 0.29 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -0.674 -2.421 -6.172) 6.663 1.214 ( 2.798 -0.844 -2.803) 4.049 1.308 ( -2.590 0.215 -1.783) 3.152 1.345 ( 1.546 -0.921 -3.010) 3.507 1.511 ( 2.604 0.817 -8.981) 9.386 1.585 ( 0.544 -3.255 -3.467) 4.787 1.773 ( 13.891 -1.811 1.462) 14.085 1.852 ( 2.744 -1.561 -9.186) 9.713 1.880 ( 4.817 6.789 -5.687) 10.082 1.986 ( -4.922 -2.703 2.609) 6.192 2.009 ( -2.014 -2.630 0.193) 3.318 2.069 ( 3.282 -1.783 -2.031) 4.251 2.141 ( 1.240 4.200 -1.188) 4.537 2.205 ( 3.009 -2.185 2.358) 4.403 2.325 ( -1.373 0.601 8.296) 8.430 2.509 ( 7.632 -1.874 6.064) 9.926 2.585 ( 6.484 2.222 5.981) 9.097 2.626 ( -0.352 -0.607 -0.651) 0.957 2.670 ( -5.274 1.725 -2.740) 6.188 2.725 ( -1.235 4.142 0.049) 4.323 2.838 ( -6.801 -0.307 1.672) 7.010 2.992 ( -6.071 -0.698 12.693) 14.087 3.217 ( -6.327 0.316 -1.692) 6.557 3.314 ( -1.919 0.944 2.316) 3.152 3.377 ( 0.381 -0.720 -2.486) 2.616 3.469 ( 0.184 -1.982 1.503) 2.494 3.788 ( 3.032 1.066 -1.276) 3.459 3.868 ( -3.274 0.398 2.697) 4.261 3.906 ( 2.520 -0.566 0.944) 2.750 3.928 ( 1.548 0.917 1.109) 2.113 4.007 ( 2.724 -0.380 -1.651) 3.208 4.071 ( -0.725 -1.080 -0.496) 1.393 4.110 ( 1.168 1.782 -3.393) 4.006 4.145 ( 0.263 -1.642 -2.655) 3.133 4.209 ( -0.066 -0.326 1.314) 1.355 4.308 ( 1.141 -0.265 -1.610) 1.991 4.452 ( 0.639 0.370 0.715) 1.028 4.466 ( 0.384 -0.437 -0.165) 0.605 4.995 ( 1.675 -0.613 -0.387) 1.825 5.069 ( 0.559 1.002 -2.451) 2.706 5.524 ( -3.337 0.055 -2.718) 4.304 5.561 ( 1.812 -0.316 3.186) 3.679 6.954 ( -2.235 -1.435 -4.450) 5.182 7.162 ( 2.932 1.748 -0.527) 3.454 8.620 ( -0.141 0.065 -0.465) 0.490 8.632 ( 0.026 0.162 0.164) 0.232 10.161 ( -2.041 -3.311 1.570) 4.195 10.216 ( -0.661 -0.492 3.554) 3.649 10.374 ( -2.752 0.953 -0.276) 2.925 10.465 ( 5.481 2.535 -1.506) 6.224 10.926 ( 2.274 -0.047 0.378) 2.306 11.016 ( -1.612 -0.820 3.113) 3.600 13.041 ( -0.066 -0.066 -0.335) 0.348 13.068 ( 0.394 -0.113 -0.354) 0.542 ======================= Grid point 61 (26/116) ======================= q-point: (-0.57 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -4.438 2.276 -7.733) 9.202 1.086 ( -10.059 1.265 -9.952) 14.207 1.157 ( -2.768 -2.568 -7.014) 7.965 1.420 ( 3.296 -2.125 -1.268) 4.121 1.507 ( 4.112 -3.113 -1.693) 5.428 1.636 ( 1.477 -3.731 0.273) 4.022 1.732 ( 0.516 1.294 -5.465) 5.639 1.902 ( 7.460 5.501 -3.888) 10.051 1.942 ( -4.102 -0.697 1.989) 4.612 1.984 ( -0.002 -0.015 -1.623) 1.623 2.063 ( 3.046 3.727 0.129) 4.815 2.081 ( 2.777 2.511 0.070) 3.745 2.143 ( 4.965 -1.992 2.730) 6.006 2.277 ( 1.903 -0.595 3.044) 3.638 2.330 ( -3.992 0.377 -0.177) 4.014 2.452 ( -6.159 5.971 -0.914) 8.627 2.497 ( -6.652 2.729 -0.326) 7.197 2.623 ( -1.873 0.063 -2.200) 2.890 2.679 ( -0.574 -1.707 2.963) 3.467 2.829 ( 9.237 0.665 3.098) 9.765 2.912 ( 0.825 -0.409 9.880) 9.923 3.031 ( -1.807 -3.473 7.428) 8.397 3.161 ( 0.299 -1.990 -1.081) 2.285 3.309 ( -0.382 0.111 1.319) 1.377 3.369 ( -0.185 -1.099 0.529) 1.234 3.526 ( 1.500 -2.960 4.075) 5.255 3.783 ( 0.674 1.791 -3.134) 3.672 3.810 ( -3.971 1.469 0.176) 4.238 3.924 ( -1.470 0.461 0.006) 1.541 3.944 ( 0.173 -0.497 1.066) 1.189 4.030 ( -0.257 -1.088 -3.107) 3.302 4.070 ( 3.726 -0.822 -0.827) 3.905 4.123 ( 1.762 0.802 1.439) 2.413 4.155 ( 0.894 -1.099 -0.228) 1.435 4.220 ( -0.268 0.187 1.231) 1.274 4.297 ( -0.141 -0.252 -2.232) 2.251 4.463 ( 0.846 0.693 0.227) 1.117 4.484 ( 1.772 0.349 0.258) 1.825 5.007 ( -0.355 -0.866 -0.754) 1.202 5.047 ( 0.321 0.936 -1.775) 2.033 5.450 ( -2.681 0.071 -2.717) 3.817 5.624 ( 2.396 -0.273 2.510) 3.481 6.881 ( -3.227 -2.181 -5.137) 6.447 7.179 ( 1.878 2.434 -0.090) 3.076 8.615 ( 0.283 -0.019 -0.587) 0.652 8.635 ( 0.213 0.162 0.365) 0.453 10.156 ( -2.861 -1.218 0.843) 3.221 10.250 ( 0.541 -1.836 1.843) 2.657 10.331 ( -2.029 -0.111 -0.200) 2.042 10.502 ( 6.419 4.758 -2.366) 8.333 10.958 ( 1.383 1.340 1.244) 2.293 11.035 ( -1.384 -0.747 3.791) 4.104 13.038 ( 0.284 0.091 -0.530) 0.608 13.066 ( 0.114 0.128 -0.652) 0.675 ======================= Grid point 62 (27/116) ======================= q-point: (-0.43 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( -9.695 8.205 -3.202) 13.098 0.835 ( -8.027 10.221 -2.920) 13.320 1.115 ( -1.181 -4.324 -2.012) 4.914 1.383 ( -3.403 4.717 0.312) 5.825 1.604 ( -1.326 3.729 0.102) 3.959 1.669 ( -6.271 1.706 0.183) 6.502 1.706 ( 2.169 -6.378 0.681) 6.771 1.817 ( -7.812 4.967 -0.386) 9.265 1.906 ( -2.142 6.744 -0.623) 7.103 1.983 ( 9.193 2.637 -5.957) 11.267 2.062 ( 2.282 3.732 1.432) 4.603 2.068 ( 1.668 2.362 1.566) 3.289 2.138 ( -4.230 2.399 0.192) 4.867 2.250 ( -0.908 -2.293 -0.217) 2.476 2.315 ( 0.626 1.199 2.196) 2.579 2.440 ( -1.459 -3.059 0.948) 3.519 2.537 ( 5.263 -3.674 2.404) 6.854 2.576 ( 1.738 -1.493 1.037) 2.515 2.745 ( 1.493 -5.550 0.105) 5.749 2.914 ( -0.447 -1.474 -1.233) 1.972 2.944 ( 0.474 -0.177 0.982) 1.105 3.111 ( 0.311 -2.245 0.659) 2.360 3.154 ( 2.309 1.921 -3.065) 4.292 3.302 ( -3.780 -0.019 1.481) 4.060 3.435 ( 3.530 -3.777 2.617) 5.794 3.647 ( 2.942 -2.449 4.029) 5.557 3.733 ( -0.398 1.017 -1.262) 1.669 3.767 ( 0.491 1.582 0.217) 1.670 3.885 ( -4.562 -1.231 0.318) 4.736 3.952 ( -0.551 0.377 1.443) 1.590 3.993 ( -2.729 -2.448 -1.765) 4.069 4.077 ( -2.226 1.843 -2.080) 3.560 4.167 ( 4.032 -0.034 -2.694) 4.849 4.182 ( 1.703 0.048 0.375) 1.745 4.244 ( 1.114 -0.080 5.429) 5.543 4.277 ( -0.610 -0.762 -0.800) 1.262 4.474 ( 0.666 0.638 0.932) 1.311 4.508 ( 2.750 2.051 -0.697) 3.501 4.977 ( -2.698 0.038 -1.441) 3.059 5.019 ( -1.423 0.156 -2.485) 2.868 5.402 ( -0.611 -0.069 -1.585) 1.700 5.680 ( 2.072 0.119 1.692) 2.677 6.797 ( -3.543 -1.533 -4.727) 6.103 7.174 ( 0.506 2.975 -0.093) 3.019 8.617 ( 0.634 -0.227 -0.726) 0.990 8.641 ( 0.236 0.066 0.368) 0.442 10.119 ( -2.365 1.406 0.612) 2.819 10.300 ( 0.632 -1.853 1.159) 2.275 10.307 ( -1.041 -1.875 0.173) 2.152 10.550 ( 9.007 5.628 -2.503) 10.911 10.971 ( -0.709 2.033 3.593) 4.189 11.051 ( -0.460 0.893 2.251) 2.465 13.038 ( 0.526 0.371 -0.373) 0.743 13.058 ( 0.079 0.558 -0.646) 0.858 ======================= Grid point 63 (28/116) ======================= q-point: (-0.29 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( -5.717 13.632 12.216) 19.177 0.641 ( -1.680 18.654 9.543) 21.021 1.133 ( -1.055 -2.039 2.123) 3.127 1.231 ( -20.040 24.746 4.686) 32.186 1.297 ( -7.783 9.011 3.252) 12.343 1.521 ( -2.758 5.198 -0.131) 5.886 1.718 ( -3.250 12.643 0.388) 13.060 1.842 ( -1.495 -8.911 5.785) 10.728 1.863 ( 3.083 -5.841 -1.577) 6.791 2.018 ( 2.126 -2.128 -2.110) 3.675 2.089 ( 7.252 -0.125 -3.433) 8.025 2.147 ( 0.960 -2.338 2.380) 3.472 2.186 ( 4.819 -0.669 3.826) 6.190 2.239 ( -2.609 -1.439 -0.513) 3.023 2.334 ( 0.086 0.768 1.306) 1.518 2.409 ( -3.108 -1.202 -1.071) 3.501 2.613 ( 2.608 -4.442 -0.048) 5.151 2.724 ( 4.688 -1.063 1.410) 5.010 2.830 ( 3.932 -6.458 -0.932) 7.618 2.853 ( -1.131 -2.541 -9.010) 9.430 2.932 ( 0.705 -1.069 -7.313) 7.425 3.085 ( 1.134 0.290 0.947) 1.506 3.224 ( -1.070 0.484 0.771) 1.405 3.234 ( 1.016 -0.557 0.412) 1.230 3.511 ( 1.491 -2.494 -2.290) 3.699 3.650 ( -2.256 -1.234 0.078) 2.573 3.747 ( -0.549 0.121 0.081) 0.568 3.766 ( -9.608 -1.832 -4.678) 10.842 3.833 ( 2.148 -1.700 2.826) 3.935 3.946 ( -0.958 2.288 2.062) 3.226 3.979 ( -0.757 -0.331 3.410) 3.509 3.990 ( -3.164 1.790 -2.018) 4.158 4.153 ( 2.212 3.513 -4.089) 5.827 4.214 ( 1.471 -0.115 -0.071) 1.477 4.260 ( 0.191 -0.865 -2.150) 2.325 4.359 ( 0.969 -4.211 5.076) 6.666 4.498 ( -0.762 -0.937 3.379) 3.589 4.522 ( 4.119 3.345 -1.267) 5.455 4.905 ( -4.012 0.342 -2.460) 4.719 4.947 ( -2.276 2.327 -2.191) 3.924 5.401 ( 0.901 -0.253 0.208) 0.959 5.711 ( 0.717 0.619 0.773) 1.223 6.728 ( -1.171 0.956 -0.031) 1.512 7.146 ( -0.359 3.254 -0.526) 3.315 8.623 ( 0.736 -0.429 -0.774) 1.151 8.646 ( 0.018 -0.040 0.176) 0.181 10.087 ( -1.335 1.720 1.936) 2.914 10.281 ( -1.380 0.279 0.480) 1.487 10.369 ( 1.243 -4.445 1.076) 4.739 10.624 ( 10.310 4.504 -6.361) 12.925 10.976 ( -1.724 2.500 4.751) 5.639 11.050 ( 0.419 2.064 0.399) 2.144 13.040 ( 0.427 0.554 -0.022) 0.700 13.050 ( 0.327 0.877 -0.324) 0.991 ======================= Grid point 64 (29/116) ======================= q-point: (-0.14 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 10.564 23.201 8.564) 26.893 0.644 ( -6.597 22.661 12.428) 26.674 0.915 ( 0.419 16.210 29.463) 33.631 1.146 ( 0.714 4.886 3.114) 5.838 1.263 ( 0.108 -2.268 5.617) 6.059 1.476 ( 0.115 2.884 -0.360) 2.908 1.577 ( -1.164 9.326 -0.792) 9.431 1.891 ( 0.992 -3.461 0.181) 3.604 1.995 ( -3.483 -6.255 3.358) 7.908 2.033 ( 0.254 -0.530 -3.873) 3.918 2.137 ( 0.984 -4.451 3.344) 5.653 2.188 ( -4.650 -2.347 0.441) 5.228 2.200 ( 1.617 -0.068 -1.671) 2.326 2.259 ( -1.903 1.910 2.675) 3.798 2.363 ( 0.402 -2.057 3.271) 3.885 2.377 ( 0.720 -1.246 -1.705) 2.231 2.637 ( -3.532 -1.896 -11.654) 12.324 2.685 ( -3.101 -2.985 -2.107) 4.793 2.714 ( 2.793 -0.350 -9.845) 10.240 2.951 ( 0.555 -2.343 -3.473) 4.226 2.989 ( 7.974 -3.364 -1.208) 8.739 3.092 ( -0.709 0.891 -0.410) 1.210 3.123 ( -5.965 1.067 -0.433) 6.075 3.284 ( -0.920 2.494 -2.486) 3.639 3.499 ( -0.869 -2.623 -2.296) 3.593 3.562 ( 2.235 0.485 -1.044) 2.514 3.700 ( 3.485 -1.570 0.972) 3.944 3.771 ( -0.202 -1.602 0.207) 1.628 3.836 ( -6.675 1.210 -3.583) 7.672 3.886 ( -0.521 0.421 -0.107) 0.678 3.973 ( -0.018 1.674 4.588) 4.884 4.038 ( 2.577 1.823 4.473) 5.475 4.115 ( 0.637 2.842 -2.053) 3.563 4.226 ( 0.221 -0.880 -0.711) 1.153 4.255 ( 1.185 -0.021 -1.726) 2.094 4.382 ( -4.416 -2.444 -1.228) 5.194 4.484 ( 0.391 4.211 -3.129) 5.261 4.511 ( -5.922 -1.393 2.621) 6.624 4.881 ( 1.770 0.357 -0.008) 1.806 4.960 ( 6.801 -2.409 1.953) 7.474 5.428 ( 0.962 -0.106 1.731) 1.984 5.702 ( -1.268 0.750 -0.457) 1.542 6.828 ( 9.407 -4.624 5.911) 12.034 7.104 ( -0.453 2.934 -1.375) 3.271 8.630 ( 0.540 -0.461 -0.671) 0.977 8.645 ( -0.262 -0.093 -0.095) 0.294 10.095 ( -0.396 0.234 4.062) 4.088 10.277 ( 0.421 0.278 1.095) 1.206 10.414 ( -1.548 -2.849 0.060) 3.243 10.547 ( -3.012 10.191 -11.689) 15.798 10.940 ( -3.965 2.995 1.901) 5.320 11.038 ( -0.034 1.881 -0.055) 1.882 13.041 ( 0.318 0.519 0.164) 0.631 13.048 ( 0.344 0.818 0.159) 0.902 ======================= Grid point 67 (30/116) ======================= q-point: ( 0.29 -0.71 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 2.974 0.000 -9.045) 9.522 1.114 ( -4.598 -0.000 -6.650) 8.085 1.126 ( -4.458 -0.000 -9.275) 10.291 1.345 ( 1.002 0.000 -3.942) 4.067 1.523 ( 2.717 0.000 0.295) 2.732 1.595 ( -0.580 -0.000 -1.411) 1.526 1.750 ( 0.957 0.000 -5.519) 5.601 1.922 ( -5.695 -0.000 2.065) 6.058 1.972 ( 1.140 0.000 0.773) 1.377 1.976 ( 8.272 0.000 -6.397) 10.457 2.072 ( 16.216 0.000 4.275) 16.770 2.097 ( 1.484 0.000 3.028) 3.372 2.197 ( 4.204 0.000 -3.170) 5.265 2.209 ( -2.017 -0.000 -0.791) 2.166 2.349 ( -0.759 -0.000 5.501) 5.553 2.488 ( -8.476 -0.000 -3.752) 9.270 2.549 ( -8.004 -0.000 -1.199) 8.093 2.601 ( 2.061 0.000 1.582) 2.598 2.693 ( -10.641 -0.000 -0.371) 10.648 2.824 ( 7.150 0.000 2.590) 7.604 2.922 ( 9.148 0.000 13.701) 16.475 2.988 ( -6.301 -0.000 6.408) 8.987 3.143 ( -0.591 -0.000 -0.672) 0.895 3.310 ( -0.485 -0.000 1.332) 1.417 3.362 ( -0.448 -0.000 0.866) 0.975 3.493 ( 1.281 0.000 3.105) 3.358 3.801 ( 0.448 0.000 -2.173) 2.219 3.820 ( -5.827 -0.000 2.213) 6.234 3.934 ( -0.892 -0.000 -0.388) 0.973 3.934 ( 0.568 0.000 -0.709) 0.909 4.017 ( -1.218 -0.000 -4.538) 4.699 4.062 ( 4.794 0.000 0.325) 4.805 4.131 ( 0.776 0.000 -1.463) 1.656 4.150 ( 3.129 0.000 1.391) 3.424 4.222 ( -0.117 -0.000 1.801) 1.804 4.295 ( -0.013 -0.000 -2.473) 2.473 4.471 ( 0.921 0.000 -0.211) 0.945 4.486 ( 2.250 0.000 0.879) 2.415 4.999 ( -0.469 -0.000 -0.312) 0.563 5.057 ( 0.230 0.000 -2.065) 2.078 5.450 ( -2.649 -0.000 -2.770) 3.833 5.621 ( 2.579 0.000 2.466) 3.569 6.864 ( -2.965 -0.000 -4.491) 5.381 7.201 ( 2.085 0.000 -0.687) 2.196 8.615 ( 0.173 0.000 -0.557) 0.583 8.636 ( 0.132 0.000 0.389) 0.411 10.138 ( -1.947 -0.000 2.079) 2.849 10.233 ( -0.067 -0.000 1.726) 1.727 10.336 ( -2.345 -0.000 -0.001) 2.345 10.541 ( 6.706 0.000 -3.965) 7.791 10.979 ( 3.782 0.000 0.411) 3.804 11.020 ( -2.645 -0.000 5.129) 5.771 13.039 ( 0.404 0.000 -0.523) 0.661 13.068 ( 0.342 0.000 -0.686) 0.766 ======================= Grid point 69 (31/116) ======================= q-point: (-0.57 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -4.690 6.798 -2.823) 8.728 1.014 ( -0.595 -0.092 -2.834) 2.897 1.081 ( 4.061 9.692 -1.365) 10.597 1.410 ( 4.660 -9.098 -1.896) 10.396 1.510 ( -2.436 -0.780 0.566) 2.620 1.602 ( 0.952 -4.487 1.820) 4.935 1.718 ( -0.388 3.786 -2.187) 4.389 1.863 ( -4.344 -1.894 -0.840) 4.813 2.011 ( 2.592 2.274 -4.196) 5.431 2.025 ( 6.887 1.724 -1.126) 7.189 2.131 ( -0.153 5.779 2.190) 6.183 2.134 ( -0.278 3.683 0.600) 3.741 2.229 ( 1.205 0.324 0.588) 1.379 2.240 ( -4.737 5.675 -0.789) 7.434 2.329 ( -2.492 -0.429 0.034) 2.529 2.399 ( -5.264 -0.933 1.464) 5.542 2.469 ( 2.053 -2.349 3.552) 4.727 2.561 ( 0.711 -0.090 0.372) 0.808 2.635 ( -4.175 -7.184 0.391) 8.318 2.884 ( -0.070 -1.262 -3.679) 3.890 2.971 ( -0.012 2.372 4.613) 5.188 3.059 ( -0.791 -3.141 0.018) 3.239 3.182 ( 5.048 1.071 -1.782) 5.459 3.302 ( -3.816 0.029 1.767) 4.205 3.393 ( 2.379 -1.272 3.063) 4.082 3.594 ( 3.866 -2.512 3.744) 5.939 3.758 ( -1.215 1.571 0.529) 2.055 3.780 ( -1.443 -0.497 -0.493) 1.604 3.882 ( -3.776 1.117 -2.069) 4.448 3.937 ( -0.963 -1.933 1.351) 2.547 3.972 ( -0.952 -0.205 -1.354) 1.668 4.100 ( -2.553 0.659 -2.112) 3.378 4.145 ( 4.940 -0.692 0.497) 5.013 4.207 ( 2.775 1.021 -0.082) 2.958 4.245 ( 0.672 0.036 3.087) 3.160 4.267 ( -0.904 -0.395 -1.743) 2.002 4.484 ( 0.909 0.383 0.243) 1.016 4.532 ( 3.744 0.782 -0.366) 3.842 4.972 ( -2.586 -0.225 -0.816) 2.721 5.031 ( -0.904 0.617 -2.003) 2.282 5.401 ( -0.843 -0.026 -1.573) 1.785 5.681 ( 2.540 0.023 1.593) 2.998 6.786 ( -2.561 -0.158 -2.917) 3.885 7.211 ( 0.994 1.310 -0.730) 1.799 8.614 ( 0.448 -0.101 -0.702) 0.839 8.642 ( 0.160 0.045 0.368) 0.404 10.130 ( -2.020 0.173 2.159) 2.962 10.255 ( 0.665 -1.796 0.690) 2.035 10.307 ( -1.584 0.426 0.539) 1.726 10.599 ( 8.134 1.063 -5.750) 10.017 11.014 ( -1.119 2.618 4.681) 5.479 11.050 ( 1.147 -0.984 1.987) 2.497 13.043 ( 0.709 0.166 -0.338) 0.803 13.065 ( 0.407 0.260 -0.681) 0.835 ======================= Grid point 70 (32/116) ======================= q-point: (-0.43 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -3.367 11.177 13.187) 17.611 1.000 ( 7.715 19.842 1.759) 21.362 1.079 ( -0.075 -2.340 4.685) 5.237 1.392 ( -2.873 6.804 2.845) 7.915 1.566 ( -3.137 1.474 0.395) 3.489 1.680 ( -1.667 7.251 2.046) 7.716 1.707 ( 2.921 -4.184 0.689) 5.149 1.728 ( -6.637 1.970 0.880) 6.979 1.921 ( -1.090 5.670 -1.640) 6.002 2.021 ( -6.410 4.218 -2.108) 7.958 2.094 ( 4.269 0.804 -1.364) 4.553 2.102 ( -1.599 -0.325 1.519) 2.229 2.185 ( 6.334 1.608 -0.376) 6.546 2.239 ( -0.263 0.873 2.718) 2.867 2.335 ( 0.400 -0.779 0.750) 1.153 2.392 ( -1.661 -0.697 -1.275) 2.207 2.510 ( 0.218 -7.906 0.368) 7.918 2.655 ( -1.732 -13.975 -0.872) 14.109 2.707 ( 5.074 -0.879 3.132) 6.027 2.818 ( -0.520 -1.675 -9.520) 9.680 2.946 ( 0.873 1.820 -8.376) 8.616 3.084 ( 2.440 -0.523 3.324) 4.156 3.207 ( 0.563 -1.347 -0.284) 1.487 3.239 ( -6.212 0.212 2.130) 6.571 3.484 ( 5.010 -0.779 -2.203) 5.528 3.612 ( -3.299 -2.148 -0.152) 3.939 3.734 ( -4.587 -1.602 -2.258) 5.357 3.781 ( -2.831 2.331 -1.084) 3.825 3.817 ( 2.925 -0.202 1.776) 3.427 3.955 ( -2.281 -0.483 1.405) 2.722 3.976 ( 0.256 0.041 3.987) 3.995 4.026 ( -1.411 1.806 -1.107) 2.545 4.197 ( 1.412 1.807 -3.300) 4.019 4.215 ( 1.965 0.293 0.268) 2.005 4.245 ( -0.320 -0.918 -1.403) 1.707 4.302 ( 0.295 -2.328 3.514) 4.226 4.496 ( 0.206 0.336 1.247) 1.308 4.571 ( 4.441 2.185 -2.315) 5.464 4.912 ( -3.403 0.477 -1.276) 3.666 4.985 ( -0.961 1.901 -1.469) 2.587 5.396 ( 0.667 -0.242 0.342) 0.787 5.720 ( 1.182 0.427 0.687) 1.433 6.745 ( -0.503 0.894 0.769) 1.282 7.196 ( 0.220 2.550 -0.877) 2.706 8.616 ( 0.570 -0.329 -0.790) 1.028 8.646 ( -0.022 0.008 0.115) 0.118 10.116 ( -1.552 1.428 2.170) 3.026 10.289 ( -0.791 0.031 0.780) 1.111 10.297 ( 0.333 -3.091 1.098) 3.297 10.655 ( 8.073 0.422 -7.706) 11.168 11.012 ( -3.765 1.660 6.104) 7.362 11.080 ( 1.828 1.465 -0.147) 2.347 13.049 ( 0.586 0.481 0.054) 0.760 13.063 ( 0.507 0.659 -0.358) 0.906 ======================= Grid point 71 (33/116) ======================= q-point: (-0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 3.226 10.487 18.779) 21.749 0.958 ( 2.435 22.046 5.990) 22.974 1.171 ( 1.139 -1.250 8.537) 8.702 1.315 ( -4.932 13.951 2.773) 15.055 1.357 ( 2.415 24.160 8.256) 25.646 1.542 ( -0.590 5.224 0.030) 5.257 1.758 ( -3.567 5.415 -2.194) 6.845 1.815 ( 1.513 0.421 2.134) 2.649 1.853 ( 1.162 -9.758 6.103) 11.568 2.007 ( 3.001 -3.002 -2.403) 4.878 2.082 ( -1.930 -1.473 -0.718) 2.532 2.139 ( 0.028 -2.694 0.295) 2.710 2.217 ( 1.669 1.017 -3.789) 4.263 2.287 ( -0.196 1.395 3.370) 3.653 2.339 ( -0.430 -0.873 3.764) 3.888 2.361 ( -0.583 -0.617 -3.101) 3.215 2.569 ( -1.286 -7.367 -1.620) 7.652 2.638 ( -4.374 -1.256 -9.976) 10.965 2.707 ( -0.294 -1.736 -11.351) 11.487 2.813 ( 2.937 -13.297 -1.362) 13.686 2.977 ( 7.303 0.957 -0.458) 7.380 3.117 ( -6.984 1.109 -1.936) 7.331 3.131 ( -1.146 0.259 1.562) 1.955 3.268 ( 1.451 -2.713 0.915) 3.210 3.472 ( -1.547 -0.573 -3.608) 3.967 3.563 ( -0.759 -0.349 -1.373) 1.607 3.689 ( 2.418 0.217 0.363) 2.455 3.759 ( 0.305 0.315 -0.368) 0.573 3.853 ( -6.307 0.971 -2.120) 6.724 3.876 ( 0.661 -1.655 -1.644) 2.424 4.004 ( 1.030 1.677 3.762) 4.246 4.065 ( 1.904 1.595 5.112) 5.683 4.157 ( -0.140 1.814 -3.025) 3.530 4.209 ( -0.473 -0.959 -2.748) 2.949 4.257 ( 1.334 0.360 0.047) 1.383 4.331 ( -2.619 -2.906 1.246) 4.106 4.502 ( -1.279 0.115 1.454) 1.940 4.558 ( 0.417 3.842 -4.018) 5.575 4.880 ( 1.598 0.033 0.021) 1.599 4.969 ( 2.323 2.067 0.246) 3.119 5.423 ( 0.901 -0.333 1.982) 2.202 5.717 ( -1.115 0.904 -0.395) 1.489 6.791 ( 3.553 -0.618 5.061) 6.214 7.162 ( 0.005 3.612 -1.417) 3.880 8.621 ( 0.484 -0.546 -0.730) 1.032 8.643 ( -0.269 -0.094 -0.194) 0.345 10.112 ( -0.625 1.170 3.038) 3.315 10.285 ( -0.226 0.717 1.429) 1.615 10.343 ( -0.616 -4.701 0.926) 4.831 10.648 ( 3.000 3.284 -10.458) 11.365 10.980 ( -5.395 1.578 3.988) 6.892 11.076 ( 0.096 2.341 -0.570) 2.411 13.052 ( 0.220 0.713 0.327) 0.814 13.063 ( 0.439 0.918 0.080) 1.021 ======================= Grid point 72 (34/116) ======================= q-point: (-0.14 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 1.065 18.089 9.578) 20.496 1.025 ( 9.230 9.962 10.944) 17.441 1.251 ( 5.688 8.350 1.630) 10.234 1.294 ( 5.886 3.300 7.170) 9.846 1.442 ( 8.129 6.291 3.251) 10.781 1.527 ( 3.066 8.679 6.799) 11.443 1.636 ( 2.024 8.518 3.195) 9.320 1.911 ( 3.277 -1.424 0.365) 3.592 1.948 ( -1.176 -4.275 4.372) 6.227 2.022 ( 0.949 0.529 -3.034) 3.223 2.077 ( -4.706 -3.648 -4.031) 7.190 2.091 ( -4.874 1.409 -1.694) 5.349 2.204 ( -1.382 -2.603 1.624) 3.365 2.221 ( -2.012 0.683 -0.462) 2.175 2.299 ( -3.025 -0.538 -6.451) 7.145 2.375 ( -2.463 0.970 -7.376) 7.837 2.501 ( -0.027 -1.324 3.188) 3.452 2.629 ( 0.562 -2.024 0.407) 2.140 2.655 ( 4.347 -5.604 -10.219) 12.439 2.865 ( -4.748 -2.252 -1.843) 5.569 2.967 ( -7.224 -1.548 -0.607) 7.413 3.012 ( -0.072 -3.479 -1.520) 3.798 3.194 ( 3.587 0.368 2.111) 4.179 3.285 ( 0.371 0.378 2.562) 2.617 3.445 ( -0.933 -2.613 -0.245) 2.785 3.595 ( -1.975 -1.848 -5.548) 6.173 3.688 ( -0.858 -0.533 -3.173) 3.330 3.756 ( 4.823 -0.134 1.145) 4.959 3.794 ( 2.447 -1.143 0.103) 2.703 3.892 ( 0.488 0.503 -0.465) 0.841 4.037 ( 0.469 2.954 2.408) 3.840 4.104 ( -0.064 1.797 -0.128) 1.802 4.124 ( 0.214 0.664 1.672) 1.812 4.189 ( 0.238 -2.130 -3.095) 3.765 4.256 ( -2.612 -0.277 0.586) 2.692 4.309 ( -0.908 1.130 -0.068) 1.451 4.473 ( -1.551 2.044 -0.583) 2.631 4.498 ( -0.525 1.799 -1.005) 2.127 4.928 ( 3.768 0.473 -0.327) 3.811 5.020 ( 3.562 -2.230 -0.841) 4.286 5.463 ( 0.816 -0.058 3.045) 3.153 5.670 ( -2.700 0.887 -1.304) 3.127 6.940 ( 5.362 -5.329 4.003) 8.554 7.112 ( -0.041 3.920 -2.372) 4.582 8.625 ( 0.233 -0.603 -0.504) 0.820 8.636 ( -0.382 -0.165 -0.403) 0.579 10.140 ( 0.117 0.019 4.355) 4.357 10.305 ( 1.443 -0.641 1.234) 2.004 10.351 ( -3.533 -1.091 -0.269) 3.708 10.493 ( -2.570 8.602 -5.998) 10.797 10.926 ( -2.860 1.944 2.192) 4.095 11.047 ( -1.027 1.930 0.350) 2.214 13.052 ( -0.072 0.548 0.364) 0.662 13.063 ( 0.355 0.952 0.291) 1.057 ======================= Grid point 76 (35/116) ======================= q-point: ( 0.43 -0.57 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -0.924 -0.000 13.092) 13.125 0.963 ( -1.569 -0.000 4.420) 4.690 1.322 ( 11.252 0.000 0.229) 11.254 1.395 ( 2.441 0.000 2.091) 3.214 1.472 ( -2.754 -0.000 2.680) 3.843 1.620 ( -0.002 -0.000 3.274) 3.274 1.768 ( 6.855 0.000 -2.360) 7.250 1.777 ( -2.539 -0.000 -3.098) 4.005 1.973 ( -4.711 -0.000 -0.923) 4.801 2.052 ( -6.789 -0.000 -2.640) 7.284 2.135 ( 4.525 0.000 -1.690) 4.830 2.146 ( 0.451 0.000 0.873) 0.982 2.269 ( -3.069 -0.000 0.286) 3.083 2.272 ( -0.556 -0.000 3.922) 3.961 2.305 ( 3.790 0.000 4.405) 5.811 2.357 ( 1.411 0.000 -0.302) 1.443 2.418 ( -3.839 -0.000 -2.009) 4.332 2.470 ( -10.363 -0.000 -0.724) 10.388 2.700 ( 5.287 0.000 3.803) 6.512 2.804 ( 0.039 0.000 -10.172) 10.172 2.967 ( 1.343 0.000 -9.917) 10.007 3.075 ( 3.607 0.000 5.172) 6.305 3.195 ( -2.412 -0.000 -0.520) 2.468 3.240 ( -6.267 -0.000 2.805) 6.866 3.480 ( 7.423 0.000 -2.045) 7.699 3.594 ( -3.185 -0.000 -0.251) 3.195 3.719 ( -3.863 -0.000 -2.225) 4.458 3.804 ( -2.892 -0.000 -1.153) 3.113 3.815 ( 3.006 0.000 0.636) 3.072 3.956 ( -1.887 -0.000 4.478) 4.859 3.970 ( 0.439 0.000 1.997) 2.045 4.042 ( -1.238 -0.000 -1.149) 1.689 4.209 ( 3.030 0.000 -2.052) 3.660 4.224 ( 0.347 0.000 -1.480) 1.520 4.233 ( -0.689 -0.000 0.393) 0.793 4.284 ( 0.391 0.000 1.851) 1.892 4.500 ( 0.364 0.000 0.736) 0.821 4.590 ( 4.502 0.000 -2.269) 5.042 4.917 ( -3.172 -0.000 -0.836) 3.280 5.001 ( -0.603 -0.000 -1.431) 1.553 5.394 ( 0.551 0.000 0.394) 0.677 5.724 ( 1.402 0.000 0.654) 1.547 6.753 ( -0.396 -0.000 0.909) 0.992 7.219 ( 0.493 0.000 -1.047) 1.158 8.614 ( 0.513 0.000 -0.810) 0.959 8.646 ( -0.035 -0.000 0.078) 0.086 10.129 ( -1.860 -0.000 2.840) 3.395 10.261 ( 0.633 0.000 0.324) 0.711 10.299 ( -0.998 -0.000 1.258) 1.606 10.657 ( 7.939 0.000 -7.990) 11.263 11.026 ( -5.124 -0.000 6.553) 8.318 11.093 ( 2.661 0.000 -0.429) 2.695 13.054 ( 0.662 0.000 0.083) 0.667 13.069 ( 0.579 0.000 -0.371) 0.687 ======================= Grid point 78 (36/116) ======================= q-point: (-0.43 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 1.457 5.634 11.465) 12.858 1.129 ( 0.909 -2.634 15.833) 16.077 1.298 ( 1.698 17.997 3.197) 18.357 1.464 ( -1.190 6.774 4.676) 8.317 1.538 ( 0.812 -6.022 1.049) 6.166 1.662 ( -2.880 -6.985 3.732) 8.427 1.718 ( 1.570 1.461 -2.896) 3.603 1.825 ( 5.810 14.111 2.661) 15.491 1.915 ( -5.047 0.879 -2.409) 5.661 1.952 ( 4.468 -1.781 -0.359) 4.824 2.124 ( -1.011 8.560 2.697) 9.031 2.153 ( 0.683 4.911 -0.941) 5.047 2.223 ( 0.941 -0.166 -3.648) 3.771 2.308 ( 0.070 0.858 2.795) 2.924 2.340 ( -1.874 0.859 1.060) 2.318 2.350 ( -1.089 -0.725 -1.343) 1.875 2.412 ( -1.797 -11.457 -0.283) 11.601 2.507 ( 2.797 -16.212 2.962) 16.716 2.637 ( -5.816 -0.297 -8.797) 10.550 2.705 ( 1.817 -1.132 -13.481) 13.650 3.005 ( 7.016 1.999 -1.018) 7.366 3.086 ( -6.522 -2.647 -1.119) 7.128 3.169 ( -1.908 2.630 1.894) 3.761 3.226 ( 2.309 -2.211 2.606) 4.125 3.474 ( -2.914 0.443 -4.902) 5.720 3.552 ( -1.386 -0.689 -0.852) 1.767 3.698 ( 4.074 0.553 -0.296) 4.122 3.776 ( 0.111 1.241 -0.467) 1.330 3.842 ( -0.179 -1.829 -2.084) 2.779 3.868 ( -6.347 0.725 -2.347) 6.806 4.021 ( 1.706 0.446 4.699) 5.019 4.087 ( 2.435 0.805 4.131) 4.863 4.170 ( -1.602 0.062 -3.000) 3.401 4.201 ( -0.647 -0.125 -2.946) 3.018 4.269 ( 1.177 1.094 0.733) 1.767 4.293 ( -0.601 -1.804 0.806) 2.065 4.505 ( -0.597 0.176 0.766) 0.987 4.601 ( 1.026 1.319 -3.803) 4.154 4.883 ( 0.356 0.204 -0.270) 0.491 4.998 ( 1.747 1.052 -0.266) 2.057 5.419 ( 0.850 -0.165 2.155) 2.323 5.728 ( -0.968 0.385 -0.314) 1.088 6.790 ( 1.964 0.090 4.196) 4.634 7.207 ( 0.395 1.595 -1.452) 2.193 8.614 ( 0.469 -0.228 -0.803) 0.958 8.642 ( -0.274 -0.031 -0.315) 0.418 10.125 ( -1.659 0.450 2.651) 3.160 10.279 ( -0.201 -1.966 0.651) 2.081 10.300 ( -0.510 0.337 1.787) 1.889 10.679 ( 5.749 0.837 -8.942) 10.663 10.995 ( -6.201 0.417 5.297) 8.166 11.104 ( 0.156 0.981 -0.739) 1.238 13.061 ( 0.174 0.328 0.417) 0.558 13.074 ( 0.494 0.397 0.061) 0.637 ======================= Grid point 79 (37/116) ======================= q-point: (-0.29 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 2.523 4.118 6.640) 8.211 1.166 ( -3.615 17.022 7.502) 18.950 1.294 ( 0.284 0.088 10.832) 10.836 1.431 ( 3.508 9.446 5.497) 11.478 1.540 ( 2.412 3.884 -2.458) 5.191 1.681 ( -2.187 0.581 -1.043) 2.492 1.779 ( 7.263 3.138 5.466) 9.616 1.870 ( 2.349 1.630 3.134) 4.242 1.891 ( 3.271 2.877 5.699) 7.173 2.015 ( -0.917 -0.766 -1.575) 1.977 2.050 ( 2.475 3.094 -4.906) 6.306 2.124 ( -1.636 1.787 -3.391) 4.168 2.174 ( -1.617 -1.077 -4.618) 5.010 2.253 ( -1.288 3.058 0.424) 3.345 2.293 ( -2.421 -0.254 -6.227) 6.686 2.374 ( -1.706 -2.099 -0.704) 2.795 2.478 ( 0.302 -4.622 5.122) 6.906 2.533 ( 1.672 -1.762 -3.379) 4.162 2.631 ( 3.494 -1.184 -9.723) 10.400 2.734 ( 1.739 -12.816 4.862) 13.817 2.945 ( -8.501 -0.966 -1.131) 8.630 2.989 ( -4.622 0.154 -5.066) 6.860 3.209 ( 3.404 1.442 1.561) 4.013 3.277 ( 0.069 -1.268 1.644) 2.078 3.414 ( -1.227 -1.279 1.398) 2.258 3.548 ( -2.057 -2.736 -3.039) 4.578 3.685 ( -3.853 0.053 -4.236) 5.726 3.763 ( 4.759 0.541 -0.997) 4.893 3.793 ( 2.637 0.855 0.072) 2.773 3.884 ( 2.067 -1.252 -1.018) 2.622 4.079 ( 1.051 1.937 2.774) 3.543 4.121 ( -1.736 -0.008 -1.644) 2.392 4.138 ( 0.666 1.137 1.438) 1.951 4.165 ( 0.466 -0.693 -2.180) 2.335 4.248 ( -2.764 -0.489 0.496) 2.850 4.322 ( 1.177 0.549 1.100) 1.702 4.492 ( -1.274 0.554 0.067) 1.390 4.539 ( -1.744 2.372 -2.835) 4.087 4.918 ( 3.697 -0.952 -0.508) 3.852 5.019 ( 2.406 1.089 -0.713) 2.736 5.461 ( 0.998 -0.095 3.361) 3.507 5.685 ( -3.026 0.734 -1.122) 3.310 6.885 ( 3.483 -1.738 5.081) 6.401 7.174 ( 0.132 3.177 -2.375) 3.969 8.616 ( 0.337 -0.439 -0.624) 0.834 8.634 ( -0.337 -0.140 -0.572) 0.679 10.131 ( -0.879 -0.905 2.516) 2.815 10.292 ( -1.271 -2.116 0.781) 2.589 10.313 ( -0.361 -0.560 1.830) 1.948 10.621 ( 0.598 5.564 -8.095) 9.841 10.950 ( -4.170 0.911 3.631) 5.604 11.077 ( -1.636 1.455 0.165) 2.195 13.061 ( -0.326 0.499 0.440) 0.741 13.077 ( 0.238 0.726 0.318) 0.827 ======================= Grid point 80 (38/116) ======================= q-point: (-0.14 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 4.618 10.204 7.948) 13.733 1.193 ( 2.816 0.984 2.794) 4.087 1.314 ( -1.678 1.195 -0.651) 2.160 1.478 ( 2.065 4.481 -1.437) 5.139 1.569 ( 3.897 4.491 0.000) 5.946 1.650 ( 9.313 8.581 2.209) 12.854 1.847 ( -5.556 -2.994 -9.770) 11.631 1.863 ( -4.761 0.216 -2.637) 5.446 1.937 ( 1.606 0.985 -5.374) 5.695 1.995 ( 4.913 3.602 4.223) 7.412 2.013 ( 0.626 -1.347 -0.524) 1.575 2.041 ( -1.873 -1.212 0.615) 2.314 2.152 ( -1.526 1.383 -1.832) 2.757 2.197 ( -1.691 -0.284 0.185) 1.724 2.314 ( 4.730 6.240 9.241) 12.113 2.347 ( 5.446 2.818 -3.442) 7.032 2.554 ( 1.647 -3.543 -3.838) 5.476 2.569 ( 2.361 -2.648 0.549) 3.590 2.630 ( -0.663 -2.869 -0.251) 2.955 2.754 ( -8.002 -0.563 -3.422) 8.721 2.855 ( -4.972 -2.963 2.829) 6.442 2.947 ( -3.411 -4.385 6.422) 8.492 3.231 ( 0.716 -1.819 1.973) 2.777 3.290 ( -3.780 -1.688 -0.655) 4.191 3.434 ( -2.098 0.737 -0.756) 2.349 3.471 ( 1.157 -1.259 -0.148) 1.716 3.702 ( 4.104 -2.375 -2.209) 5.231 3.814 ( 2.696 -2.181 -0.586) 3.517 3.850 ( 4.087 0.408 1.211) 4.282 3.900 ( 0.965 0.550 -0.809) 1.374 4.056 ( -1.417 2.064 -1.452) 2.895 4.088 ( -0.864 -0.553 -1.296) 1.653 4.123 ( 0.358 0.727 -2.199) 2.344 4.185 ( -0.157 0.075 0.785) 0.804 4.229 ( -1.223 0.848 2.555) 2.957 4.328 ( 0.744 1.825 -0.578) 2.054 4.462 ( -1.036 1.172 -0.418) 1.620 4.486 ( -0.985 0.682 -1.009) 1.566 4.978 ( 3.490 -0.937 -0.905) 3.725 5.034 ( 1.699 -0.060 -1.604) 2.338 5.511 ( 1.243 0.286 3.585) 3.805 5.611 ( -3.882 0.590 -1.786) 4.314 7.001 ( 3.127 -3.115 3.111) 5.400 7.113 ( -0.393 3.697 -3.487) 5.097 8.619 ( 0.138 -0.461 -0.328) 0.582 8.625 ( -0.111 -0.235 -0.584) 0.639 10.166 ( 0.105 -2.842 2.444) 3.750 10.283 ( -3.242 -1.719 0.441) 3.696 10.336 ( 1.028 -0.811 1.282) 1.832 10.482 ( -1.984 8.151 -4.033) 9.309 10.930 ( -0.918 1.196 1.726) 2.292 11.046 ( -2.000 1.096 1.553) 2.759 13.053 ( -0.536 0.386 0.110) 0.670 13.076 ( 0.052 0.712 0.184) 0.738 ======================= Grid point 85 (39/116) ======================= q-point: (-0.43 0.57 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 2.729 0.000 4.510) 5.272 1.293 ( -0.252 -0.000 12.539) 12.541 1.405 ( -7.417 -0.000 3.440) 8.176 1.475 ( 2.999 0.000 3.747) 4.799 1.590 ( -3.124 -0.000 6.393) 7.116 1.605 ( -0.679 -0.000 4.546) 4.596 1.737 ( 3.759 0.000 -0.144) 3.762 1.873 ( 1.119 0.000 0.306) 1.160 1.994 ( 3.343 0.000 -1.646) 3.727 2.031 ( 7.271 0.000 0.284) 7.276 2.121 ( -4.149 -0.000 -11.393) 12.125 2.154 ( -1.704 -0.000 -5.218) 5.489 2.176 ( 0.602 0.000 -1.026) 1.190 2.271 ( -3.068 -0.000 -8.698) 9.224 2.298 ( -0.258 -0.000 -2.232) 2.247 2.359 ( 3.419 0.000 10.307) 10.860 2.396 ( -0.777 -0.000 6.316) 6.363 2.546 ( 2.117 0.000 0.154) 2.123 2.559 ( 4.352 0.000 -0.151) 4.354 2.623 ( 5.552 0.000 -5.696) 7.954 2.937 ( -8.270 -0.000 -1.739) 8.451 2.992 ( -6.974 -0.000 -4.829) 8.482 3.230 ( 5.262 0.000 2.533) 5.840 3.256 ( -2.018 -0.000 -0.015) 2.018 3.403 ( -1.222 -0.000 2.196) 2.513 3.524 ( -3.141 -0.000 -2.359) 3.929 3.686 ( -4.842 -0.000 -4.696) 6.745 3.767 ( 3.422 0.000 -0.991) 3.563 3.807 ( 4.320 0.000 -0.891) 4.411 3.868 ( 2.336 0.000 -0.926) 2.513 4.098 ( 1.040 0.000 3.867) 4.004 4.112 ( -1.723 -0.000 -2.754) 3.249 4.155 ( 1.355 0.000 2.941) 3.238 4.157 ( -0.092 -0.000 -3.621) 3.622 4.243 ( -2.858 -0.000 0.158) 2.862 4.327 ( 1.889 0.000 1.536) 2.435 4.497 ( -1.092 -0.000 -0.004) 1.092 4.559 ( -2.187 -0.000 -3.062) 3.763 4.910 ( 3.158 0.000 -0.596) 3.214 5.030 ( 2.233 0.000 -0.832) 2.383 5.460 ( 1.095 0.000 3.514) 3.681 5.691 ( -3.166 -0.000 -1.033) 3.330 6.872 ( 2.821 0.000 5.070) 5.802 7.202 ( 0.266 0.000 -2.364) 2.379 8.612 ( 0.396 0.000 -0.685) 0.791 8.632 ( -0.321 -0.000 -0.667) 0.740 10.122 ( -1.755 -0.000 1.811) 2.522 10.267 ( -1.453 -0.000 1.040) 1.787 10.315 ( -0.029 -0.000 1.805) 1.805 10.666 ( 2.297 0.000 -7.854) 8.183 10.957 ( -4.575 -0.000 4.199) 6.210 11.089 ( -1.992 -0.000 0.083) 1.994 13.065 ( -0.434 -0.000 0.473) 0.642 13.084 ( 0.195 0.000 0.332) 0.385 ======================= Grid point 87 (40/116) ======================= q-point: (-0.29 0.57 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 3.695 0.026 1.263) 3.905 1.278 ( -5.269 9.087 5.550) 11.880 1.332 ( -1.833 1.364 1.492) 2.729 1.556 ( -1.901 3.977 0.012) 4.408 1.588 ( 1.577 -3.956 2.843) 5.121 1.672 ( 3.121 -2.225 4.316) 5.773 1.832 ( -1.854 -1.275 -6.922) 7.278 1.874 ( -1.422 2.672 -4.546) 5.461 1.906 ( -0.330 -1.398 -1.091) 1.804 1.972 ( -2.988 -0.940 -2.622) 4.085 2.085 ( 1.696 5.554 -5.767) 8.185 2.107 ( 2.926 2.948 4.744) 6.306 2.177 ( 3.470 2.382 -0.045) 4.209 2.214 ( -0.995 2.066 -3.806) 4.443 2.301 ( 3.429 -7.580 -4.213) 9.325 2.405 ( 3.868 3.057 2.283) 5.433 2.502 ( 2.064 1.087 -3.446) 4.161 2.542 ( 3.391 -2.470 0.455) 4.220 2.637 ( -0.155 1.732 5.301) 5.579 2.762 ( -5.897 2.408 -1.965) 6.665 2.816 ( -5.130 -1.546 4.102) 6.748 2.848 ( 0.235 -6.916 5.544) 8.867 3.212 ( -2.370 -0.463 1.961) 3.111 3.264 ( -3.618 -1.120 -1.861) 4.220 3.440 ( -0.618 -0.185 -1.654) 1.776 3.452 ( 1.449 -0.511 3.798) 4.097 3.671 ( 3.463 -1.085 -2.487) 4.400 3.793 ( 1.934 -0.532 -1.471) 2.487 3.861 ( 3.682 0.781 -0.470) 3.793 3.895 ( 2.045 -0.844 -1.294) 2.563 4.073 ( -1.090 0.604 -1.793) 2.184 4.085 ( -1.560 -0.328 -0.925) 1.843 4.138 ( 0.149 0.903 -2.894) 3.035 4.186 ( -0.023 0.007 1.257) 1.258 4.236 ( -0.138 0.163 3.606) 3.613 4.353 ( 0.567 0.926 0.344) 1.139 4.476 ( -1.071 0.359 -0.500) 1.236 4.496 ( -2.280 0.453 -1.666) 2.860 4.957 ( 3.201 -0.895 -0.797) 3.418 5.046 ( 1.935 0.679 -1.664) 2.641 5.516 ( 1.442 0.168 3.858) 4.122 5.619 ( -4.400 0.239 -1.635) 4.700 6.966 ( 2.812 -1.055 4.387) 5.317 7.164 ( -0.396 1.882 -3.881) 4.332 8.614 ( 0.385 -0.177 -0.390) 0.576 8.622 ( -0.070 -0.120 -0.793) 0.806 10.118 ( -1.044 -1.976 0.727) 2.350 10.251 ( -2.968 -1.367 1.196) 3.479 10.334 ( 0.621 0.250 1.509) 1.651 10.590 ( -1.545 3.790 -5.368) 6.750 10.944 ( -1.304 0.455 2.362) 2.736 11.057 ( -3.010 0.260 1.698) 3.466 13.058 ( -0.764 0.186 0.154) 0.801 13.085 ( -0.216 0.324 0.237) 0.456 ======================= Grid point 88 (41/116) ======================= q-point: (-0.14 -0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -6.725 2.698 -3.134) 7.895 1.238 ( 2.556 0.224 -2.500) 3.582 1.327 ( 2.689 1.456 3.019) 4.298 1.431 ( -8.699 4.053 -2.982) 10.049 1.590 ( -5.727 -1.408 -12.938) 14.219 1.674 ( 5.527 3.712 -1.379) 6.800 1.720 ( -2.055 -2.816 -0.860) 3.591 1.850 ( 2.954 -2.243 -1.855) 4.147 1.895 ( 3.138 2.936 -7.107) 8.305 1.995 ( -0.323 -0.480 0.630) 0.855 2.058 ( -1.448 1.471 5.664) 6.029 2.111 ( -0.974 3.685 -3.245) 5.006 2.161 ( 1.492 6.343 2.651) 7.034 2.221 ( 1.199 -0.290 5.132) 5.279 2.386 ( -7.348 -9.451 -0.882) 12.003 2.422 ( -0.575 2.176 -3.398) 4.076 2.468 ( -5.395 -3.444 -6.585) 9.183 2.513 ( 5.505 -5.506 -2.628) 8.217 2.668 ( 7.569 4.154 6.574) 10.852 2.684 ( -1.618 0.084 1.085) 1.950 2.864 ( 0.305 1.773 9.906) 10.068 3.021 ( 0.097 0.349 13.288) 13.293 3.204 ( -0.691 -0.158 -1.997) 2.119 3.250 ( 2.387 -2.488 1.705) 3.847 3.421 ( -0.381 1.009 -1.922) 2.204 3.508 ( 0.527 -0.317 3.340) 3.396 3.711 ( 3.423 -2.455 -3.356) 5.386 3.805 ( 0.279 -2.219 -2.251) 3.173 3.907 ( 0.942 -0.927 1.557) 2.042 3.919 ( 1.737 0.523 1.261) 2.209 4.029 ( -0.480 0.333 -2.018) 2.101 4.071 ( 0.057 0.418 -0.570) 0.709 4.114 ( 0.070 -0.091 -1.341) 1.346 4.181 ( -0.699 0.598 0.158) 0.933 4.263 ( 0.043 1.858 2.201) 2.881 4.334 ( -0.467 1.428 -1.790) 2.337 4.453 ( -0.790 0.308 -0.001) 0.848 4.467 ( -0.388 -0.416 -0.560) 0.798 4.998 ( 1.712 -1.411 -0.805) 2.360 5.050 ( 2.056 1.230 -1.849) 3.026 5.528 ( -4.149 0.279 -2.189) 4.700 5.575 ( 1.547 0.245 3.283) 3.637 7.042 ( 0.919 0.351 0.546) 1.126 7.093 ( -0.140 1.262 -3.450) 3.676 8.616 ( 0.299 -0.059 -0.641) 0.710 8.622 ( 0.422 -0.312 -0.108) 0.536 10.142 ( 0.153 -4.822 -0.595) 4.861 10.227 ( -3.507 -2.157 1.945) 4.554 10.360 ( 1.344 -0.180 0.948) 1.654 10.472 ( -2.949 5.805 -3.017) 7.176 10.948 ( 0.150 0.992 1.100) 1.489 11.034 ( -2.966 -0.344 3.013) 4.242 13.045 ( -0.575 0.111 -0.311) 0.663 13.077 ( -0.483 0.319 -0.179) 0.606 ======================= Grid point 94 (42/116) ======================= q-point: (-0.29 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -8.196 -0.000 -4.920) 9.559 1.240 ( 3.483 0.000 -1.570) 3.821 1.346 ( -1.229 -0.000 3.123) 3.356 1.476 ( -10.389 -0.000 -0.982) 10.435 1.572 ( -6.203 -0.000 -13.095) 14.490 1.645 ( 2.483 0.000 3.398) 4.209 1.727 ( 5.548 0.000 -2.752) 6.193 1.848 ( 0.698 0.000 -2.438) 2.536 1.923 ( 0.828 0.000 -4.586) 4.660 1.996 ( -2.294 -0.000 0.084) 2.296 2.075 ( -0.957 -0.000 3.831) 3.949 2.174 ( -3.059 -0.000 -2.095) 3.708 2.206 ( -4.319 -0.000 -2.502) 4.991 2.215 ( 5.620 0.000 4.902) 7.457 2.297 ( -2.505 -0.000 3.063) 3.957 2.430 ( -5.519 -0.000 -6.335) 8.402 2.432 ( 2.494 0.000 -5.645) 6.172 2.461 ( 0.904 0.000 -2.567) 2.721 2.684 ( -2.705 -0.000 -2.074) 3.409 2.708 ( 8.322 0.000 5.706) 10.090 2.884 ( -0.818 -0.000 12.286) 12.313 3.022 ( 3.359 0.000 14.747) 15.125 3.207 ( 2.450 0.000 -2.052) 3.196 3.220 ( 1.614 0.000 1.846) 2.452 3.426 ( -0.342 -0.000 -2.549) 2.572 3.507 ( 0.318 0.000 4.591) 4.602 3.689 ( 3.415 0.000 -3.604) 4.965 3.787 ( 0.149 0.000 -2.625) 2.629 3.896 ( 0.935 0.000 0.691) 1.163 3.923 ( 2.223 0.000 1.464) 2.662 4.033 ( -1.724 -0.000 -2.118) 2.731 4.077 ( -0.024 -0.000 0.969) 0.970 4.109 ( 0.124 0.000 -2.935) 2.938 4.187 ( -0.617 -0.000 0.096) 0.625 4.278 ( 0.734 0.000 2.383) 2.493 4.350 ( -1.052 -0.000 -1.318) 1.686 4.456 ( -1.470 -0.000 -0.662) 1.612 4.462 ( -0.422 -0.000 -0.060) 0.426 4.985 ( 1.749 0.000 -0.511) 1.822 5.062 ( 2.385 0.000 -2.102) 3.179 5.531 ( -4.658 -0.000 -2.229) 5.164 5.577 ( 1.746 0.000 3.491) 3.903 7.036 ( 1.915 0.000 3.398) 3.900 7.115 ( -0.761 -0.000 -6.050) 6.098 8.616 ( 0.392 0.000 -0.879) 0.963 8.618 ( 0.553 0.000 -0.009) 0.553 10.095 ( -0.550 -0.000 -0.610) 0.821 10.206 ( -4.045 -0.000 1.730) 4.400 10.362 ( 1.368 0.000 0.940) 1.660 10.525 ( -3.479 -0.000 -3.702) 5.080 10.958 ( 0.409 0.000 1.193) 1.261 11.028 ( -3.939 -0.000 3.293) 5.135 13.046 ( -0.723 -0.000 -0.301) 0.783 13.080 ( -0.668 -0.000 -0.146) 0.684 ======================= Grid point 95 (43/116) ======================= q-point: (-0.14 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( -13.954 -0.338 -12.084) 18.463 1.187 ( -19.194 4.527 -1.743) 19.797 1.260 ( -0.236 3.065 -5.207) 6.047 1.327 ( -1.858 -2.878 -2.601) 4.301 1.496 ( 0.825 -2.645 1.649) 3.224 1.699 ( -16.413 -3.923 -4.582) 17.486 1.748 ( 4.687 0.450 3.602) 5.928 1.819 ( 3.290 3.061 -0.703) 4.548 1.877 ( -6.742 -2.998 -4.196) 8.488 1.910 ( 2.109 -4.241 -0.375) 4.752 2.022 ( -4.347 3.036 -2.716) 5.958 2.061 ( -3.536 0.897 -2.940) 4.685 2.123 ( -3.568 -3.056 -2.031) 5.118 2.283 ( 0.943 1.957 6.708) 7.051 2.325 ( 0.111 2.930 3.053) 4.233 2.413 ( 4.077 -0.162 3.974) 5.696 2.475 ( 4.516 1.514 -0.844) 4.838 2.536 ( 6.376 -5.214 -3.289) 8.869 2.707 ( 6.819 0.272 -0.960) 6.892 2.890 ( 8.384 2.016 6.917) 11.055 2.923 ( -2.981 0.051 5.284) 6.068 3.111 ( -2.947 0.919 3.698) 4.818 3.228 ( -1.413 1.036 -0.967) 2.001 3.300 ( 2.706 -0.233 3.189) 4.189 3.431 ( 5.732 0.872 -0.469) 5.817 3.559 ( 1.309 0.521 5.735) 5.905 3.708 ( 3.182 -1.341 -3.746) 5.095 3.755 ( -1.623 -1.335 -2.163) 3.016 3.905 ( -2.436 -0.428 2.279) 3.363 3.966 ( -0.727 0.415 3.718) 3.811 4.011 ( 1.468 -0.861 -1.898) 2.549 4.084 ( 0.833 0.112 -0.141) 0.852 4.095 ( -0.692 -0.740 0.120) 1.020 4.183 ( 0.491 -0.096 0.525) 0.725 4.287 ( -0.968 2.379 -0.634) 2.645 4.306 ( -0.859 -0.028 -1.975) 2.154 4.444 ( -0.057 -0.612 0.041) 0.616 4.465 ( 0.191 -0.010 0.966) 0.985 4.992 ( -0.810 -0.660 -0.461) 1.142 5.074 ( 2.613 1.094 -2.820) 3.997 5.447 ( -3.024 -0.059 -2.463) 3.901 5.633 ( 1.763 0.136 2.631) 3.170 7.016 ( -1.150 3.743 -8.409) 9.276 7.091 ( 0.811 -1.784 1.630) 2.549 8.616 ( 0.788 0.041 -0.856) 1.164 8.629 ( 0.576 -0.096 0.299) 0.656 10.098 ( 0.063 -2.942 -1.394) 3.256 10.181 ( -3.111 -3.594 3.879) 6.135 10.392 ( 1.880 0.359 0.374) 1.951 10.423 ( -4.363 2.196 -2.376) 5.432 10.970 ( 0.043 1.439 1.101) 1.812 11.010 ( -3.244 -1.607 3.528) 5.055 13.034 ( -0.226 -0.080 -0.561) 0.610 13.065 ( -0.788 0.022 -0.553) 0.963 ======================= Grid point 102 (44/116) ======================= q-point: (-0.14 -0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( -18.365 -0.000 -4.124) 18.822 0.849 ( -25.928 -0.000 0.068) 25.928 1.174 ( -31.759 -0.000 -2.168) 31.833 1.236 ( -6.972 -0.000 -1.122) 7.062 1.270 ( -1.271 -0.000 -0.547) 1.383 1.522 ( -1.024 -0.000 2.476) 2.679 1.637 ( -17.664 -0.000 0.082) 17.664 1.852 ( 6.621 0.000 -4.978) 8.283 1.915 ( 6.747 0.000 2.897) 7.343 1.967 ( 5.153 0.000 3.620) 6.297 2.021 ( 5.780 0.000 0.649) 5.816 2.069 ( 0.895 0.000 0.751) 1.168 2.079 ( 2.477 0.000 -0.991) 2.668 2.309 ( -3.663 -0.000 1.637) 4.013 2.366 ( 0.119 0.000 2.894) 2.896 2.480 ( -1.736 -0.000 -0.204) 1.748 2.589 ( 9.403 0.000 3.438) 10.012 2.598 ( 5.262 0.000 -0.258) 5.268 2.841 ( 10.824 0.000 -1.565) 10.937 2.921 ( -1.536 -0.000 1.952) 2.484 3.049 ( -1.308 -0.000 -7.674) 7.784 3.089 ( 6.926 0.000 6.982) 9.834 3.134 ( -4.722 -0.000 -3.789) 6.054 3.305 ( -5.048 -0.000 0.507) 5.074 3.544 ( 7.219 0.000 -2.215) 7.551 3.656 ( -2.266 -0.000 4.847) 5.350 3.727 ( 3.479 0.000 3.385) 4.854 3.734 ( 4.503 0.000 -1.241) 4.671 3.882 ( -2.932 -0.000 2.772) 4.034 3.947 ( -4.665 -0.000 1.033) 4.778 4.027 ( 2.248 0.000 -1.459) 2.680 4.060 ( -1.570 -0.000 -1.023) 1.873 4.093 ( -1.840 -0.000 -2.528) 3.126 4.209 ( 0.557 0.000 1.044) 1.183 4.274 ( 1.957 0.000 3.267) 3.808 4.292 ( -0.149 -0.000 -1.354) 1.362 4.445 ( 0.539 0.000 -0.071) 0.544 4.491 ( -0.020 -0.000 4.419) 4.419 4.949 ( -3.378 -0.000 -0.834) 3.479 5.078 ( 2.188 0.000 -6.690) 7.038 5.402 ( -0.350 -0.000 -1.479) 1.520 5.677 ( 1.275 0.000 1.637) 2.075 6.909 ( -1.719 -0.000 -14.026) 14.131 7.101 ( -0.282 -0.000 0.972) 1.012 8.622 ( 1.033 0.000 -0.866) 1.348 8.640 ( 0.411 0.000 0.371) 0.554 10.085 ( 0.852 0.000 -0.553) 1.016 10.172 ( -2.331 -0.000 9.623) 9.901 10.346 ( -4.188 -0.000 -0.961) 4.297 10.426 ( 2.046 0.000 -0.013) 2.046 10.972 ( -4.599 -0.000 3.962) 6.071 10.999 ( 1.171 0.000 0.210) 1.189 13.029 ( 0.243 0.000 -0.426) 0.490 13.047 ( -0.622 -0.000 -0.662) 0.908 ======================= Grid point 103 (45/116) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( -0.622 -0.000 14.416) 14.429 0.618 ( -0.026 -0.000 14.016) 14.016 1.139 ( 0.563 0.000 1.610) 1.706 1.206 ( -2.483 -0.000 0.260) 2.497 1.452 ( -1.017 -0.000 -1.296) 1.647 1.464 ( 0.360 0.000 3.730) 3.748 1.612 ( 5.345 0.000 22.110) 22.747 1.810 ( 6.068 0.000 -5.587) 8.248 1.903 ( -3.005 -0.000 -9.015) 9.503 2.074 ( -0.782 -0.000 3.226) 3.319 2.120 ( -4.635 -0.000 -6.646) 8.103 2.203 ( -5.328 -0.000 -2.468) 5.872 2.222 ( -0.062 -0.000 -10.167) 10.167 2.307 ( -4.274 -0.000 -2.121) 4.772 2.310 ( -7.369 -0.000 -11.733) 13.856 2.393 ( -2.039 -0.000 2.243) 3.031 2.492 ( 2.233 0.000 -0.441) 2.277 2.543 ( 6.021 0.000 6.324) 8.732 2.727 ( 2.650 0.000 -2.994) 3.999 2.828 ( -4.501 -0.000 -4.834) 6.605 3.050 ( -3.918 -0.000 -0.006) 3.918 3.068 ( 6.650 0.000 4.835) 8.221 3.186 ( 4.601 0.000 4.273) 6.280 3.258 ( 3.788 0.000 3.963) 5.482 3.508 ( 2.358 0.000 -0.030) 2.358 3.557 ( -5.281 -0.000 0.870) 5.353 3.705 ( -6.038 -0.000 -6.356) 8.767 3.706 ( 6.107 0.000 -1.147) 6.214 3.834 ( -1.876 -0.000 1.807) 2.605 3.886 ( -1.658 -0.000 -0.722) 1.809 4.036 ( -1.178 -0.000 2.605) 2.859 4.044 ( 2.006 0.000 -0.034) 2.006 4.146 ( 0.168 0.000 2.502) 2.508 4.178 ( 0.789 0.000 -3.098) 3.197 4.257 ( 0.912 0.000 1.038) 1.382 4.279 ( -0.429 -0.000 -6.272) 6.286 4.441 ( 0.389 0.000 -0.422) 0.574 4.545 ( -6.381 -0.000 -0.543) 6.404 4.871 ( 1.385 0.000 0.072) 1.387 4.993 ( 5.001 0.000 -1.972) 5.375 5.472 ( 1.632 0.000 2.879) 3.309 5.679 ( -2.002 -0.000 -1.309) 2.392 6.914 ( 9.212 0.000 0.370) 9.220 7.042 ( -1.276 -0.000 -2.289) 2.621 8.620 ( 0.897 0.000 -0.620) 1.090 8.642 ( -0.441 -0.000 -0.326) 0.548 10.157 ( 0.293 0.000 2.204) 2.223 10.298 ( 1.440 0.000 0.160) 1.449 10.356 ( -6.219 -0.000 2.656) 6.762 10.476 ( 0.097 0.000 0.517) 0.526 10.948 ( -4.373 -0.000 2.218) 4.903 11.023 ( 0.457 0.000 0.082) 0.464 13.038 ( 0.695 0.000 0.114) 0.705 13.048 ( 0.268 0.000 0.358) 0.447 ======================= Grid point 104 (46/116) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 9.772 -4.621 10.766) 15.257 0.964 ( 18.640 -10.909 9.252) 23.496 1.153 ( -1.979 -2.851 -3.634) 5.025 1.284 ( 13.586 -2.332 -0.695) 13.803 1.399 ( -2.961 0.743 -2.429) 3.901 1.465 ( -1.085 -0.607 -1.550) 1.987 1.775 ( 0.246 -1.271 -8.461) 8.559 1.840 ( 4.919 -1.339 -5.623) 7.590 1.873 ( -9.867 2.376 -15.680) 18.678 1.931 ( 2.764 -1.760 9.467) 10.018 1.967 ( -5.040 -2.010 -6.055) 8.131 2.122 ( 0.122 -2.243 -9.425) 9.689 2.182 ( -1.070 3.368 0.830) 3.631 2.230 ( -0.516 0.887 10.354) 10.404 2.270 ( -0.001 -1.935 6.803) 7.072 2.381 ( -1.071 4.682 4.027) 6.268 2.518 ( 0.166 -1.047 -0.461) 1.156 2.584 ( 0.646 1.444 -6.007) 6.212 2.721 ( 1.336 1.561 -0.766) 2.192 2.787 ( -1.590 -2.219 1.840) 3.292 3.015 ( -3.809 1.472 2.686) 4.888 3.192 ( -1.095 2.095 10.747) 11.004 3.278 ( 3.872 2.037 4.059) 5.968 3.313 ( -0.799 -1.269 1.943) 2.455 3.451 ( -5.494 -0.365 -3.402) 6.472 3.517 ( -1.668 1.183 -0.777) 2.188 3.656 ( 3.615 -0.135 -0.891) 3.725 3.784 ( 6.219 0.538 -1.929) 6.534 3.834 ( 1.115 1.510 1.177) 2.216 3.857 ( 0.030 -1.123 -1.320) 1.733 4.039 ( -1.990 -0.539 1.684) 2.662 4.067 ( 1.459 -0.515 -1.055) 1.872 4.114 ( -0.892 1.698 -3.952) 4.392 4.196 ( -1.282 -0.920 -0.693) 1.723 4.202 ( -1.342 -2.220 -2.283) 3.456 4.277 ( 0.831 -0.226 0.096) 0.867 4.446 ( 0.216 -0.222 0.408) 0.512 4.481 ( -2.030 -0.216 -0.407) 2.082 4.910 ( 2.967 -0.557 -0.034) 3.019 5.015 ( 3.006 1.464 -3.717) 4.999 5.524 ( 1.113 -0.168 3.481) 3.658 5.627 ( -2.998 -0.443 -1.995) 3.629 7.001 ( -0.586 -0.764 -2.889) 3.045 7.022 ( 5.782 0.455 -1.552) 6.004 8.625 ( 0.522 0.313 -0.270) 0.666 8.630 ( -0.487 0.158 -0.597) 0.786 10.190 ( 0.194 -3.144 1.837) 3.646 10.303 ( -3.187 0.519 2.244) 3.932 10.337 ( 1.055 0.075 1.671) 1.977 10.459 ( -1.912 1.429 0.366) 2.414 10.925 ( -2.412 -1.754 1.966) 3.572 11.036 ( 0.217 -0.930 0.993) 1.377 13.049 ( -0.015 -0.145 0.050) 0.155 13.053 ( 0.389 -0.576 0.087) 0.701 ======================= Grid point 105 (47/116) ======================= q-point: ( 0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -3.383 -6.343 -3.057) 7.812 1.116 ( 9.114 -2.297 3.819) 10.145 1.286 ( 0.486 0.742 -1.064) 1.385 1.376 ( 5.028 -2.664 0.261) 5.696 1.413 ( -2.727 -4.140 -6.735) 8.363 1.508 ( 10.767 -4.607 -2.136) 11.905 1.609 ( 2.665 -0.434 -8.917) 9.317 1.734 ( 1.821 -1.954 -6.919) 7.417 1.794 ( -4.921 -2.006 -3.669) 6.458 1.940 ( 9.026 -4.108 -4.179) 10.761 2.055 ( 2.129 -1.889 -0.851) 2.971 2.106 ( -2.801 -1.552 0.933) 3.335 2.129 ( -1.374 1.526 1.774) 2.714 2.226 ( -1.875 -0.768 2.497) 3.216 2.350 ( 1.680 7.463 2.015) 7.910 2.485 ( 3.421 4.173 -5.941) 8.026 2.521 ( 1.946 -1.083 10.508) 10.741 2.627 ( 6.866 -4.736 9.485) 12.631 2.689 ( -2.503 2.302 -0.710) 3.474 2.752 ( -4.866 2.275 -0.597) 5.405 2.950 ( -5.736 1.757 3.225) 6.811 3.192 ( -7.428 0.427 5.452) 9.224 3.286 ( -5.189 2.689 -0.044) 5.845 3.323 ( 0.428 2.502 2.372) 3.474 3.389 ( -0.737 -0.974 1.665) 2.065 3.503 ( 0.445 -1.287 2.186) 2.576 3.704 ( 3.833 2.142 -1.353) 4.595 3.831 ( 3.215 1.674 -3.475) 5.021 3.847 ( 4.296 -0.435 -2.085) 4.795 3.916 ( 3.582 0.610 2.613) 4.476 4.005 ( -1.891 -0.099 -1.486) 2.407 4.057 ( -0.330 0.309 -0.836) 0.950 4.091 ( 0.759 -0.736 -0.053) 1.059 4.144 ( -1.884 -4.024 -3.759) 5.820 4.227 ( 0.012 -0.804 1.323) 1.549 4.286 ( 0.594 -0.358 -0.995) 1.212 4.455 ( -0.211 -0.056 0.328) 0.394 4.466 ( -0.127 -0.361 0.218) 0.440 4.956 ( 2.913 -0.493 -0.798) 3.061 5.006 ( 2.248 1.326 -3.362) 4.256 5.554 ( -3.211 -0.297 -1.668) 3.631 5.580 ( 0.316 -0.729 2.737) 2.850 6.960 ( -1.962 -2.444 -4.107) 5.166 7.082 ( 4.437 1.280 -0.657) 4.664 8.615 ( -0.284 0.320 -0.839) 0.942 8.627 ( 0.351 0.472 0.100) 0.596 10.237 ( -1.560 -5.212 0.061) 5.441 10.270 ( -1.405 2.629 2.627) 3.974 10.363 ( 1.422 1.107 0.231) 1.817 10.415 ( -2.142 1.472 0.250) 2.611 10.933 ( -0.937 -1.695 1.628) 2.530 11.066 ( 0.030 -1.429 2.721) 3.073 13.044 ( -0.546 -0.324 -0.396) 0.748 13.064 ( 0.162 -0.627 -0.216) 0.683 ======================= Grid point 106 (48/116) ======================= q-point: (-0.57 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -7.291 -2.978 -1.517) 8.021 1.138 ( -1.754 -1.099 -3.713) 4.251 1.243 ( -12.063 -7.919 -4.081) 14.996 1.378 ( 4.381 0.326 2.628) 5.119 1.465 ( 3.900 -4.325 0.519) 5.847 1.573 ( 7.533 0.469 -1.347) 7.667 1.659 ( 2.785 -1.079 -3.975) 4.972 1.724 ( 1.965 -0.052 -4.681) 5.077 1.889 ( 10.256 0.171 1.230) 10.331 2.024 ( -0.956 -0.319 -1.731) 2.003 2.055 ( -2.403 0.340 -0.207) 2.435 2.081 ( -0.342 0.259 0.759) 0.872 2.142 ( 0.020 -6.138 4.163) 7.417 2.280 ( 2.932 -2.324 2.718) 4.624 2.361 ( 1.168 0.743 0.023) 1.384 2.446 ( 0.933 4.200 -2.541) 4.997 2.547 ( -5.443 7.260 -0.962) 9.125 2.591 ( -2.788 7.395 0.642) 7.929 2.709 ( 4.951 -4.252 4.154) 7.736 2.753 ( -1.384 3.316 0.871) 3.698 3.021 ( -0.017 -3.363 9.925) 10.479 3.108 ( -2.377 -1.570 -2.749) 3.959 3.163 ( -3.061 0.557 -3.784) 4.899 3.330 ( -1.746 0.616 -0.326) 1.880 3.395 ( -0.017 0.885 2.358) 2.519 3.576 ( 1.438 -1.736 5.717) 6.145 3.706 ( 2.186 3.087 -2.089) 4.321 3.802 ( -0.429 1.993 -2.164) 2.973 3.908 ( 4.404 -0.359 -0.480) 4.445 3.961 ( 3.382 1.028 -0.970) 3.665 3.991 ( -2.551 -1.894 1.001) 3.331 4.064 ( 0.303 -0.769 0.294) 0.877 4.105 ( 0.518 -0.358 0.720) 0.956 4.149 ( 2.112 -3.126 -1.799) 4.180 4.233 ( -0.799 -0.305 0.080) 0.859 4.282 ( 0.299 -0.132 -1.564) 1.598 4.451 ( 0.346 0.010 -0.723) 0.802 4.479 ( -0.048 0.293 2.094) 2.115 4.984 ( 1.912 -0.184 -1.709) 2.571 5.002 ( 1.923 0.605 -2.297) 3.056 5.476 ( -3.972 -0.344 -2.576) 4.747 5.629 ( 1.095 -0.579 2.979) 3.226 6.900 ( -3.032 -2.619 -4.986) 6.396 7.124 ( 2.882 1.435 0.062) 3.220 8.602 ( 0.200 0.291 -1.055) 1.112 8.632 ( 0.388 0.400 0.420) 0.698 10.190 ( -2.142 2.830 -1.641) 3.911 10.297 ( -1.130 -2.160 3.066) 3.917 10.362 ( -1.353 -1.070 -0.189) 1.735 10.396 ( 1.548 2.101 0.024) 2.610 10.951 ( 0.087 -0.875 1.138) 1.438 11.103 ( -1.073 -0.557 4.124) 4.298 13.034 ( -0.379 -0.156 -0.567) 0.699 13.062 ( -0.305 -0.389 -0.640) 0.809 ======================= Grid point 107 (49/116) ======================= q-point: (-0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -11.272 3.102 8.816) 14.642 1.040 ( -17.479 -7.317 1.017) 18.977 1.156 ( -1.284 -2.837 1.697) 3.546 1.387 ( -0.633 4.426 1.813) 4.825 1.578 ( 2.368 0.264 1.597) 2.868 1.680 ( 1.470 0.071 -2.574) 2.965 1.736 ( 11.688 -5.056 -1.091) 12.781 1.742 ( 5.163 -1.565 -1.369) 5.566 1.932 ( -8.700 1.915 0.330) 8.915 1.959 ( -9.856 1.672 0.690) 10.021 2.007 ( 2.300 4.895 2.312) 5.882 2.047 ( 2.521 2.250 3.537) 4.891 2.194 ( -8.110 6.255 0.039) 10.242 2.293 ( -0.343 -2.996 0.145) 3.019 2.327 ( -1.399 -0.894 1.984) 2.587 2.471 ( 3.103 -2.282 2.491) 4.587 2.485 ( 4.831 0.081 1.022) 4.938 2.563 ( 1.853 2.365 -0.343) 3.024 2.717 ( 3.129 1.822 -0.097) 3.622 2.901 ( 3.018 -5.529 -2.173) 6.664 2.964 ( -4.239 1.398 -4.387) 6.259 3.016 ( 4.193 1.071 -4.063) 5.936 3.164 ( -4.378 -0.778 -5.648) 7.188 3.329 ( 1.692 -1.375 0.462) 2.229 3.418 ( 2.219 -0.775 -1.591) 2.838 3.666 ( 1.690 0.232 5.415) 5.677 3.722 ( 2.072 -0.773 3.189) 3.881 3.765 ( -1.565 1.418 1.187) 2.422 3.941 ( 0.153 -0.835 -3.966) 4.056 3.970 ( -1.530 0.167 1.831) 2.392 3.997 ( 1.963 0.251 0.743) 2.114 4.063 ( -0.892 -0.333 -0.260) 0.987 4.119 ( -0.298 0.473 -0.674) 0.876 4.174 ( 0.202 -2.816 -2.317) 3.652 4.238 ( 1.963 0.730 -0.254) 2.109 4.278 ( 1.686 0.683 -0.084) 1.822 4.451 ( 1.006 0.868 -0.861) 1.584 4.506 ( 0.027 -1.084 3.909) 4.057 4.979 ( -0.229 -0.029 -2.585) 2.596 4.997 ( 0.335 0.504 -2.516) 2.588 5.405 ( -2.160 -0.006 -1.765) 2.789 5.675 ( 1.166 -0.319 2.127) 2.447 6.819 ( -3.599 -1.716 -4.576) 6.070 7.142 ( 0.999 1.817 0.122) 2.077 8.597 ( 0.772 0.091 -1.172) 1.407 8.640 ( 0.369 0.177 0.517) 0.659 10.125 ( -0.995 2.934 -1.261) 3.345 10.322 ( -0.399 0.544 3.344) 3.412 10.348 ( -1.639 -2.467 -0.368) 2.984 10.415 ( 2.864 2.343 0.279) 3.711 10.971 ( 0.661 -0.374 0.839) 1.131 11.113 ( -2.846 1.153 4.433) 5.392 13.027 ( 0.128 0.176 -0.380) 0.438 13.051 ( -0.407 0.039 -0.821) 0.917 ======================= Grid point 108 (50/116) ======================= q-point: (-0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -19.575 -2.063 5.683) 20.487 0.895 ( -11.069 2.838 19.182) 22.328 1.201 ( -0.881 -1.975 5.927) 6.310 1.357 ( -2.530 3.955 3.730) 5.996 1.470 ( -22.697 17.001 6.343) 29.058 1.544 ( -5.634 1.489 -1.266) 5.964 1.699 ( -3.474 8.189 -4.090) 9.791 1.788 ( -1.366 2.462 -1.342) 3.119 1.929 ( 4.955 -0.827 1.029) 5.128 1.965 ( 6.872 -9.452 0.225) 11.688 2.017 ( 2.131 -2.247 3.508) 4.679 2.118 ( 3.864 -0.109 2.984) 4.883 2.189 ( 5.604 2.264 8.823) 10.695 2.313 ( -2.722 -3.151 0.238) 4.171 2.343 ( -1.143 -2.713 -0.040) 2.944 2.461 ( -2.799 -1.127 -1.457) 3.351 2.575 ( 4.332 -1.201 -2.069) 4.948 2.656 ( 4.984 0.005 1.074) 5.098 2.733 ( 0.660 -1.176 -11.553) 11.631 2.835 ( 6.295 -2.201 -2.724) 7.204 2.883 ( -3.748 -0.482 -7.751) 8.623 3.042 ( 0.330 1.761 -3.250) 3.711 3.168 ( 6.685 -2.270 2.084) 7.361 3.283 ( -5.041 1.223 -2.732) 5.863 3.450 ( 4.718 -2.141 -4.996) 7.198 3.693 ( -4.034 -0.133 1.768) 4.407 3.765 ( 1.770 -1.576 3.489) 4.218 3.816 ( -3.376 -0.195 -5.435) 6.401 3.847 ( 0.078 0.560 -0.095) 0.574 3.971 ( -0.272 2.048 2.273) 3.071 4.013 ( -3.524 0.886 0.105) 3.635 4.037 ( -0.715 -1.454 1.376) 2.126 4.086 ( -1.135 1.200 0.196) 1.663 4.195 ( 1.524 -0.740 0.189) 1.705 4.229 ( 0.607 -0.394 -3.770) 3.839 4.320 ( 4.942 3.021 -1.831) 6.075 4.448 ( 0.868 1.250 -0.942) 1.789 4.595 ( 1.739 -5.195 6.189) 8.265 4.923 ( -2.756 0.254 -3.849) 4.741 4.944 ( -2.514 1.540 -2.412) 3.809 5.389 ( 0.876 0.020 0.159) 0.890 5.707 ( 0.686 0.135 1.121) 1.321 6.747 ( -2.410 0.176 -0.947) 2.595 7.126 ( -0.636 2.038 -0.499) 2.192 8.601 ( 1.169 -0.144 -1.124) 1.629 8.648 ( 0.122 -0.007 0.320) 0.343 10.098 ( 0.192 1.045 0.683) 1.263 10.312 ( -2.111 0.265 0.774) 2.264 10.384 ( 2.070 -1.394 2.162) 3.302 10.443 ( 3.759 3.646 -0.164) 5.239 10.991 ( 0.560 -0.211 0.643) 0.878 11.084 ( -4.031 2.644 3.604) 6.019 13.028 ( 0.579 0.373 0.038) 0.690 13.037 ( -0.072 0.405 -0.625) 0.748 ======================= Grid point 109 (51/116) ======================= q-point: (-0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( -17.023 -1.954 11.655) 20.723 0.799 ( -17.792 15.988 9.785) 25.844 1.179 ( -9.262 4.041 15.956) 18.887 1.235 ( -10.583 2.427 6.313) 12.560 1.335 ( 0.129 1.645 15.202) 15.291 1.467 ( -1.183 0.117 -1.165) 1.664 1.528 ( -2.361 6.348 -2.011) 7.065 1.780 ( 5.513 2.154 -4.752) 7.590 1.976 ( 3.530 -0.751 -5.133) 6.275 2.084 ( -0.357 -3.788 -2.486) 4.545 2.155 ( 4.094 -1.105 -0.118) 4.242 2.266 ( -4.425 -4.691 0.360) 6.459 2.269 ( 4.620 -7.469 7.424) 11.500 2.303 ( -3.454 1.130 -1.453) 3.913 2.362 ( 4.587 1.406 11.339) 12.312 2.407 ( -3.356 -0.222 -1.864) 3.845 2.500 ( -0.455 0.271 -17.617) 17.625 2.612 ( 0.112 -0.197 -9.191) 9.194 2.704 ( -2.961 -0.154 -5.810) 6.523 2.842 ( 8.084 -0.160 1.422) 8.210 2.966 ( 5.042 -4.002 -0.707) 6.476 3.070 ( 3.517 0.753 -0.014) 3.597 3.179 ( -2.029 0.985 -0.628) 2.341 3.206 ( -2.006 1.633 -4.339) 5.052 3.484 ( 1.739 -2.152 -4.110) 4.955 3.630 ( -6.391 0.556 -0.113) 6.416 3.648 ( 0.138 1.734 0.629) 1.849 3.826 ( -0.530 -2.000 2.193) 3.015 3.881 ( -6.000 1.418 -6.069) 8.651 3.896 ( -0.083 -0.990 1.307) 1.642 4.006 ( 1.107 0.827 2.881) 3.195 4.039 ( -1.895 1.189 2.753) 3.547 4.101 ( 0.964 0.035 3.417) 3.551 4.202 ( 0.762 -0.780 -4.213) 4.351 4.229 ( 1.309 -0.122 1.012) 1.659 4.323 ( 3.477 2.940 -5.277) 6.970 4.442 ( 0.559 0.573 -0.770) 1.111 4.658 ( -5.386 -3.546 -2.176) 6.806 4.874 ( -1.031 -0.165 -0.339) 1.098 4.906 ( 3.306 0.144 1.725) 3.731 5.422 ( 1.950 0.072 1.787) 2.646 5.710 ( -0.700 0.303 -0.263) 0.807 6.769 ( 4.752 0.319 3.855) 6.128 7.086 ( -1.324 1.416 -1.400) 2.392 8.611 ( 1.193 -0.201 -0.922) 1.521 8.649 ( -0.210 -0.059 -0.018) 0.218 10.123 ( 0.893 -0.553 2.232) 2.467 10.291 ( -0.951 0.537 0.941) 1.442 10.427 ( -0.094 2.368 -0.638) 2.454 10.453 ( 1.504 -0.183 -0.363) 1.558 10.996 ( -2.627 -0.154 1.716) 3.141 11.029 ( -1.875 2.765 1.046) 3.500 13.032 ( 0.360 0.350 -0.206) 0.543 13.038 ( 0.674 0.335 0.350) 0.830 ======================= Grid point 111 (52/116) ======================= q-point: ( 0.14 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -3.883 -0.000 -3.201) 5.032 1.102 ( 10.974 0.000 4.959) 12.043 1.311 ( -2.332 -0.000 -4.515) 5.082 1.312 ( 18.322 0.000 4.941) 18.976 1.389 ( -8.415 -0.000 -7.223) 11.090 1.476 ( 9.751 0.000 -2.402) 10.042 1.604 ( 1.299 0.000 -6.678) 6.804 1.731 ( 5.974 0.000 -9.465) 11.192 1.774 ( -3.879 -0.000 -4.661) 6.064 1.884 ( 7.405 0.000 -5.944) 9.496 2.055 ( -0.988 -0.000 -0.860) 1.310 2.067 ( -0.007 -0.000 3.632) 3.632 2.168 ( 0.079 0.000 0.802) 0.806 2.208 ( -5.322 -0.000 1.757) 5.605 2.453 ( 4.259 0.000 1.245) 4.437 2.477 ( -4.956 -0.000 6.376) 8.076 2.541 ( 2.527 0.000 -5.256) 5.832 2.561 ( 11.391 0.000 16.607) 20.138 2.711 ( -1.422 -0.000 -2.100) 2.536 2.771 ( -2.764 -0.000 -0.613) 2.831 2.969 ( -6.499 -0.000 2.408) 6.930 3.194 ( -8.217 -0.000 4.484) 9.361 3.314 ( -5.164 -0.000 -0.723) 5.214 3.360 ( -0.145 -0.000 4.120) 4.123 3.365 ( 0.126 0.000 3.017) 3.019 3.488 ( -2.035 -0.000 1.020) 2.276 3.723 ( 4.764 0.000 -0.695) 4.814 3.831 ( 3.298 0.000 -4.367) 5.473 3.859 ( 5.673 0.000 -1.856) 5.969 3.918 ( 3.323 0.000 3.067) 4.522 4.006 ( -3.630 -0.000 0.232) 3.637 4.069 ( -1.731 -0.000 -2.873) 3.354 4.084 ( 1.493 0.000 0.368) 1.537 4.093 ( -0.582 -0.000 -5.061) 5.094 4.222 ( 0.158 0.000 1.621) 1.628 4.284 ( 0.502 0.000 -0.658) 0.828 4.457 ( -0.361 -0.000 -0.876) 0.947 4.460 ( 0.286 0.000 1.728) 1.751 4.952 ( 2.895 0.000 -0.360) 2.917 5.019 ( 2.165 0.000 -4.066) 4.606 5.552 ( -3.661 -0.000 -2.552) 4.462 5.573 ( 0.963 0.000 3.487) 3.618 6.939 ( -1.945 -0.000 -3.861) 4.324 7.094 ( 4.922 0.000 -1.712) 5.212 8.617 ( -0.353 -0.000 -0.785) 0.861 8.632 ( 0.279 0.000 0.104) 0.298 10.184 ( -0.826 -0.000 1.813) 1.992 10.291 ( -3.403 -0.000 3.821) 5.116 10.382 ( 3.884 0.000 -1.615) 4.206 10.427 ( -3.231 -0.000 0.226) 3.239 10.918 ( -0.151 -0.000 1.828) 1.834 11.053 ( 0.271 0.000 2.632) 2.646 13.041 ( -0.448 -0.000 -0.431) 0.621 13.058 ( 0.360 0.000 -0.223) 0.423 ======================= Grid point 112 (53/116) ======================= q-point: (-0.71 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -3.940 -3.417 -0.337) 5.226 1.129 ( -3.795 -0.198 -3.742) 5.334 1.160 ( -8.895 -2.037 -5.844) 10.837 1.337 ( 1.914 -2.729 1.413) 3.620 1.469 ( 4.002 3.102 1.561) 5.299 1.551 ( 4.529 -3.235 -1.083) 5.670 1.688 ( 2.103 3.114 -3.063) 4.848 1.746 ( 8.436 1.860 -7.220) 11.258 1.851 ( 17.665 -2.847 3.670) 18.266 2.015 ( 2.759 -2.175 -0.138) 3.516 2.040 ( -4.883 -1.752 1.565) 5.419 2.043 ( 2.477 -1.349 0.016) 2.820 2.131 ( -1.561 3.335 0.595) 3.730 2.224 ( 1.922 -3.892 0.722) 4.400 2.417 ( -3.454 4.195 2.837) 6.130 2.495 ( 1.275 1.684 -2.947) 3.625 2.606 ( 1.530 -0.171 1.110) 1.898 2.645 ( -2.997 -1.399 0.690) 3.378 2.708 ( 1.193 4.164 -1.058) 4.459 2.805 ( -2.902 2.335 0.761) 3.802 2.958 ( 4.025 -2.853 12.959) 13.867 3.096 ( -4.711 -0.366 -3.018) 5.607 3.186 ( -6.916 1.566 -2.745) 7.604 3.334 ( -2.919 -0.142 -1.720) 3.391 3.407 ( -1.219 0.643 5.024) 5.210 3.529 ( 0.880 -2.773 4.786) 5.601 3.751 ( 1.923 1.840 -1.932) 3.289 3.845 ( 2.399 2.882 -3.579) 5.183 3.902 ( 2.123 -1.169 -1.318) 2.759 3.961 ( -2.587 -1.167 2.474) 3.765 3.971 ( 4.012 0.251 -2.795) 4.896 4.030 ( -2.142 -2.150 -0.853) 3.152 4.095 ( 2.727 -0.771 -0.689) 2.916 4.122 ( 2.353 -0.147 0.858) 2.509 4.234 ( 0.034 0.158 0.877) 0.892 4.280 ( 0.055 -0.100 -1.003) 1.009 4.451 ( 0.731 -0.012 -0.992) 1.232 4.485 ( 0.198 0.281 2.515) 2.538 4.981 ( 1.716 -0.093 -1.066) 2.022 5.012 ( 1.928 0.398 -3.079) 3.655 5.472 ( -3.582 -0.110 -2.646) 4.455 5.621 ( 1.202 -0.277 2.952) 3.200 6.870 ( -2.674 -0.933 -3.981) 4.885 7.142 ( 3.656 0.647 -1.154) 3.888 8.605 ( 0.001 0.108 -1.000) 1.006 8.637 ( 0.221 0.176 0.390) 0.481 10.194 ( -1.671 -1.245 1.742) 2.716 10.273 ( -2.059 -0.228 1.812) 2.752 10.374 ( -2.478 1.399 0.276) 2.860 10.418 ( 3.497 0.350 -2.571) 4.355 10.945 ( 1.402 0.036 1.385) 1.971 11.092 ( -0.216 -0.553 4.342) 4.382 13.032 ( -0.125 -0.069 -0.574) 0.591 13.058 ( 0.084 -0.154 -0.657) 0.680 ======================= Grid point 113 (54/116) ======================= q-point: (-0.57 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -6.938 -0.601 7.104) 9.949 0.996 ( -7.223 3.711 2.395) 8.466 1.116 ( -2.081 -2.161 3.533) 4.635 1.414 ( 2.095 -5.569 1.098) 6.051 1.507 ( 3.583 -1.453 1.302) 4.079 1.633 ( 2.273 -3.756 0.477) 4.417 1.706 ( 1.913 1.323 1.027) 2.543 1.799 ( 10.433 4.335 -5.993) 12.789 1.938 ( -5.683 -0.028 -1.458) 5.867 1.980 ( -3.563 0.689 0.526) 3.667 2.084 ( 6.462 4.837 4.285) 9.139 2.119 ( 0.714 3.860 2.340) 4.570 2.182 ( 4.753 -3.017 0.684) 5.671 2.293 ( -2.383 -3.210 0.293) 4.008 2.348 ( -2.528 3.433 0.579) 4.302 2.459 ( 1.272 0.899 1.423) 2.110 2.502 ( -5.807 2.620 0.799) 6.421 2.596 ( -4.747 2.609 -1.160) 5.539 2.719 ( -0.731 -2.257 1.097) 2.613 2.821 ( 4.330 -3.202 -4.430) 6.974 3.002 ( -4.122 3.196 -2.821) 5.930 3.036 ( 4.313 1.108 -3.250) 5.513 3.131 ( -2.928 -3.186 -3.290) 5.436 3.317 ( 2.811 -0.025 0.540) 2.863 3.406 ( -0.953 -0.280 -0.676) 1.201 3.629 ( 1.306 -4.678 5.545) 7.371 3.737 ( 0.452 2.539 0.393) 2.609 3.803 ( -0.743 2.903 0.349) 3.017 3.911 ( -1.627 -2.593 -3.095) 4.353 3.972 ( -0.454 -1.092 3.643) 3.830 3.990 ( -0.082 -0.425 -1.053) 1.138 4.051 ( 3.892 -0.965 -0.727) 4.075 4.112 ( -0.529 -0.689 -2.293) 2.452 4.162 ( 2.208 0.879 0.589) 2.449 4.245 ( 0.835 0.327 -0.427) 0.993 4.278 ( 0.579 -0.637 0.822) 1.190 4.461 ( 1.704 0.198 -0.721) 1.861 4.505 ( -0.124 0.704 2.314) 2.422 4.979 ( -0.189 0.052 -2.114) 2.123 5.006 ( 0.736 0.528 -2.207) 2.386 5.406 ( -1.995 0.019 -1.758) 2.659 5.669 ( 1.511 -0.324 2.137) 2.637 6.801 ( -2.697 -0.564 -2.792) 3.923 7.168 ( 2.004 1.289 -0.790) 2.510 8.598 ( 0.478 0.017 -1.165) 1.259 8.643 ( 0.196 0.147 0.452) 0.514 10.169 ( -1.723 2.259 0.131) 2.844 10.286 ( -0.589 -3.134 1.818) 3.671 10.339 ( -1.967 0.566 1.048) 2.300 10.446 ( 4.499 0.823 -2.781) 5.353 10.979 ( 2.154 1.105 0.931) 2.594 11.125 ( -1.725 0.319 4.865) 5.171 13.029 ( 0.431 0.124 -0.336) 0.561 13.052 ( 0.101 0.083 -0.826) 0.836 ======================= Grid point 114 (55/116) ======================= q-point: (-0.43 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -7.295 9.168 5.038) 12.754 0.967 ( -5.797 5.212 16.375) 18.136 1.175 ( -0.889 -1.030 9.535) 9.632 1.424 ( -2.236 4.046 3.756) 5.957 1.595 ( -2.497 3.994 -1.184) 4.857 1.691 ( -3.200 5.419 0.417) 6.307 1.730 ( 3.073 -12.753 1.811) 13.243 1.826 ( -2.505 5.348 -2.506) 6.415 1.889 ( -4.040 0.955 2.931) 5.082 1.908 ( 8.398 4.949 -0.448) 9.758 2.076 ( -6.657 9.209 0.554) 11.377 2.115 ( 0.693 0.153 1.170) 1.368 2.188 ( 0.141 -2.727 4.501) 5.265 2.263 ( 0.697 -0.771 2.826) 3.011 2.330 ( 0.356 0.260 -0.248) 0.506 2.433 ( -3.933 -1.701 -1.943) 4.705 2.541 ( 2.470 -3.447 -1.060) 4.371 2.641 ( 6.993 -1.627 2.612) 7.640 2.703 ( -0.743 -2.588 -10.327) 10.672 2.776 ( -0.989 -4.635 -1.954) 5.127 2.880 ( -4.072 0.239 -10.128) 10.918 3.072 ( 1.356 1.412 -1.059) 2.226 3.147 ( 7.499 -0.001 1.129) 7.584 3.309 ( -3.425 1.715 -1.250) 4.030 3.402 ( 3.016 -3.104 -5.320) 6.858 3.688 ( -2.697 -2.407 1.307) 3.844 3.747 ( 0.673 0.356 2.255) 2.380 3.804 ( -1.747 -0.377 -2.100) 2.758 3.843 ( -2.915 -0.966 -0.945) 3.213 3.990 ( -0.248 -0.358 1.625) 1.683 4.019 ( 0.278 -0.065 5.441) 5.448 4.041 ( -3.429 1.722 -1.913) 4.287 4.106 ( 2.953 1.122 -2.067) 3.775 4.188 ( 1.671 0.154 0.185) 1.688 4.228 ( 0.126 0.305 -2.987) 3.005 4.332 ( 2.796 -1.633 0.663) 3.305 4.478 ( 2.437 1.818 -1.350) 3.327 4.526 ( -0.502 -2.083 3.306) 3.940 4.932 ( -2.326 0.705 -2.770) 3.685 4.971 ( -1.387 1.594 -1.975) 2.893 5.389 ( 0.756 0.000 0.247) 0.795 5.708 ( 1.174 0.055 1.151) 1.644 6.756 ( -1.118 0.797 0.324) 1.410 7.163 ( 0.267 2.195 -0.972) 2.416 8.598 ( 0.880 -0.235 -1.168) 1.481 8.647 ( 0.015 0.001 0.232) 0.232 10.131 ( -0.378 2.786 0.368) 2.836 10.316 ( -1.372 -0.226 0.979) 1.700 10.337 ( 0.170 -3.099 2.295) 3.860 10.486 ( 5.199 0.830 -3.334) 6.231 11.008 ( 2.226 1.956 0.536) 3.012 11.122 ( -3.256 1.863 4.086) 5.547 13.035 ( 0.775 0.447 0.099) 0.900 13.046 ( 0.397 0.531 -0.616) 0.905 ======================= Grid point 115 (56/116) ======================= q-point: (-0.29 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -1.442 16.733 9.192) 19.146 1.004 ( -4.034 7.376 11.681) 14.392 1.254 ( -4.176 3.464 8.135) 9.778 1.367 ( -6.567 7.309 4.068) 10.634 1.405 ( -10.863 12.642 12.220) 20.668 1.521 ( -2.097 7.144 3.247) 8.123 1.685 ( -3.934 11.539 -4.125) 12.870 1.813 ( 2.900 -0.105 -1.475) 3.255 1.951 ( 2.674 -4.723 -2.194) 5.854 1.989 ( 3.379 -3.496 -0.123) 4.863 2.091 ( 4.147 -5.579 6.870) 9.773 2.154 ( -1.174 -4.597 -0.562) 4.777 2.202 ( -1.761 -3.434 -2.091) 4.389 2.312 ( -1.496 0.142 -2.377) 2.812 2.348 ( -1.007 -2.480 2.912) 3.955 2.398 ( 1.698 -0.690 2.085) 2.776 2.503 ( -0.001 0.116 -15.546) 15.546 2.596 ( -0.957 -2.150 -4.763) 5.313 2.692 ( -5.195 -1.440 -7.355) 9.120 2.829 ( 8.987 -3.105 2.803) 9.913 2.872 ( 4.209 -5.089 1.678) 6.814 3.102 ( 1.943 2.933 -0.747) 3.596 3.199 ( -3.064 0.664 -2.149) 3.801 3.231 ( 2.022 1.278 -0.185) 2.399 3.435 ( 2.813 -3.124 -4.065) 5.848 3.638 ( -7.538 -0.428 -2.047) 7.823 3.679 ( -0.620 1.935 0.223) 2.044 3.779 ( -0.959 -2.870 1.523) 3.387 3.866 ( 0.343 -1.992 0.072) 2.023 3.917 ( -6.659 2.225 -4.194) 8.179 4.017 ( 0.685 0.411 2.853) 2.963 4.080 ( 1.244 2.981 4.263) 5.348 4.107 ( 0.872 0.915 0.425) 1.334 4.188 ( 0.125 -0.796 -4.018) 4.098 4.226 ( 1.943 -0.022 0.332) 1.972 4.362 ( 1.404 0.130 -3.001) 3.316 4.470 ( 1.469 3.004 -1.785) 3.790 4.573 ( -2.738 -5.183 1.290) 6.002 4.874 ( -0.986 0.532 -0.422) 1.197 4.927 ( 0.440 2.151 -0.409) 2.233 5.423 ( 1.914 -0.007 1.982) 2.755 5.718 ( -0.332 0.633 -0.171) 0.735 6.780 ( 3.139 0.891 3.735) 4.960 7.124 ( -0.774 2.925 -1.624) 3.434 8.605 ( 1.025 -0.481 -0.976) 1.495 8.647 ( -0.253 -0.151 -0.123) 0.319 10.128 ( 0.831 1.427 1.960) 2.563 10.304 ( -1.050 0.937 1.696) 2.204 10.394 ( 0.476 -4.051 1.462) 4.333 10.497 ( 2.397 2.261 -5.391) 6.318 11.018 ( 0.739 2.553 0.362) 2.682 11.079 ( -3.633 2.848 2.162) 5.097 13.042 ( 0.527 0.791 0.005) 0.950 13.047 ( 0.810 0.727 0.204) 1.107 ======================= Grid point 116 (57/116) ======================= q-point: (-0.14 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 9.085 16.818 10.970) 22.039 0.844 ( -7.088 20.954 9.643) 24.131 1.196 ( 1.640 6.270 1.765) 6.717 1.235 ( -3.894 3.452 2.008) 5.578 1.438 ( -1.186 -0.879 -0.376) 1.523 1.515 ( -1.464 6.575 0.522) 6.756 1.635 ( 4.742 3.182 19.396) 20.219 1.836 ( 3.703 1.778 -4.792) 6.311 1.924 ( 0.911 2.445 -6.977) 7.449 2.043 ( -2.113 -3.651 2.808) 5.068 2.102 ( -3.689 -1.758 -7.017) 8.120 2.165 ( -0.474 -3.315 -6.610) 7.410 2.239 ( -1.872 -0.457 -2.820) 3.415 2.266 ( -3.677 -4.876 -3.486) 7.032 2.305 ( -3.114 -4.814 2.980) 6.461 2.321 ( -3.264 0.913 -10.976) 11.488 2.504 ( 4.884 -1.939 -4.396) 6.850 2.550 ( 0.841 1.308 7.373) 7.535 2.682 ( 0.296 -3.857 -0.515) 3.903 2.880 ( -2.563 4.744 -3.554) 6.458 3.016 ( 2.257 -5.008 2.920) 6.221 3.069 ( 0.053 0.243 2.045) 2.060 3.157 ( 2.710 -0.899 3.645) 4.630 3.291 ( 3.547 1.625 2.178) 4.469 3.468 ( 0.872 -3.357 -0.429) 3.495 3.569 ( -2.126 0.500 1.192) 2.488 3.704 ( 0.687 0.299 -2.551) 2.658 3.720 ( -3.131 0.912 -3.967) 5.135 3.809 ( -1.923 -2.352 1.406) 3.348 3.882 ( -0.257 -0.853 -0.952) 1.303 4.045 ( 0.076 0.997 2.078) 2.306 4.069 ( 0.786 2.640 -0.836) 2.878 4.139 ( -0.029 -0.528 0.031) 0.530 4.168 ( 0.760 -0.874 -0.713) 1.360 4.258 ( 1.307 0.184 0.759) 1.523 4.312 ( -1.374 2.442 -5.013) 5.743 4.451 ( 0.325 1.464 -0.708) 1.659 4.533 ( -4.771 -1.220 -0.242) 4.930 4.879 ( 1.624 0.613 -0.022) 1.736 4.966 ( 4.174 -1.966 -0.939) 4.709 5.474 ( 1.634 0.170 2.980) 3.402 5.686 ( -1.976 0.821 -1.260) 2.483 6.897 ( 7.140 -1.463 2.093) 7.583 7.067 ( -1.017 2.792 -2.416) 3.830 8.616 ( 0.855 -0.520 -0.650) 1.193 8.640 ( -0.447 -0.220 -0.408) 0.644 10.165 ( 1.561 0.665 2.904) 3.363 10.306 ( 0.367 0.766 1.134) 1.417 10.390 ( -4.649 2.673 -1.417) 5.547 10.454 ( 0.035 -1.603 -0.120) 1.607 10.978 ( -3.874 3.269 1.959) 5.435 11.040 ( -0.069 1.824 0.187) 1.835 13.044 ( 0.619 0.748 0.181) 0.988 13.053 ( 0.337 0.665 0.333) 0.816 ======================= Grid point 119 (58/116) ======================= q-point: ( 0.29 -0.71 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 0.263 0.000 5.407) 5.413 1.056 ( -3.689 -0.000 1.773) 4.093 1.085 ( -0.564 -0.000 6.352) 6.377 1.315 ( -0.840 -0.000 1.084) 1.371 1.553 ( -0.039 -0.000 -1.234) 1.235 1.569 ( 2.880 0.000 3.808) 4.774 1.722 ( 1.574 0.000 0.644) 1.700 1.839 ( 9.782 0.000 -6.772) 11.898 1.937 ( -6.119 -0.000 -0.546) 6.143 1.983 ( -1.347 -0.000 0.407) 1.407 2.140 ( 5.307 0.000 1.431) 5.497 2.150 ( 14.216 0.000 3.020) 14.533 2.183 ( 3.088 0.000 2.176) 3.777 2.209 ( -1.550 -0.000 1.376) 2.073 2.413 ( -7.315 -0.000 -3.440) 8.084 2.434 ( 0.950 0.000 3.420) 3.550 2.537 ( -6.631 -0.000 -0.515) 6.651 2.655 ( -0.232 -0.000 3.772) 3.779 2.667 ( -10.690 -0.000 -2.435) 10.964 2.796 ( 4.243 0.000 -6.421) 7.697 3.046 ( 5.026 0.000 -2.657) 5.685 3.057 ( -2.958 -0.000 -2.526) 3.890 3.075 ( -4.107 -0.000 -1.086) 4.249 3.320 ( 3.037 0.000 0.753) 3.129 3.408 ( -1.942 -0.000 -0.644) 2.047 3.576 ( 1.187 0.000 5.157) 5.292 3.764 ( 0.032 0.000 0.080) 0.087 3.843 ( -3.734 -0.000 0.762) 3.811 3.874 ( 1.361 0.000 -3.959) 4.187 3.954 ( -0.698 -0.000 3.018) 3.098 3.988 ( -1.741 -0.000 0.653) 1.860 4.042 ( 6.645 0.000 -2.000) 6.940 4.107 ( 0.032 0.000 -1.573) 1.573 4.173 ( 2.681 0.000 0.574) 2.742 4.250 ( 0.997 0.000 0.720) 1.229 4.269 ( -0.651 -0.000 -0.289) 0.712 4.462 ( 1.789 0.000 -0.761) 1.944 4.513 ( 0.169 0.000 2.118) 2.124 4.980 ( -0.244 -0.000 -1.691) 1.708 5.011 ( 1.010 0.000 -2.372) 2.578 5.406 ( -1.933 -0.000 -1.759) 2.613 5.666 ( 1.653 0.000 2.135) 2.700 6.797 ( -2.224 -0.000 -2.212) 3.137 7.179 ( 2.453 0.000 -1.244) 2.750 8.598 ( 0.358 0.000 -1.182) 1.235 8.644 ( 0.129 0.000 0.416) 0.435 10.192 ( -1.859 -0.000 3.352) 3.833 10.254 ( -0.886 -0.000 0.009) 0.886 10.347 ( -2.269 -0.000 1.103) 2.523 10.449 ( 4.981 0.000 -4.718) 6.861 10.992 ( 2.949 0.000 0.746) 3.042 11.127 ( -1.347 -0.000 5.306) 5.474 13.030 ( 0.563 0.000 -0.313) 0.644 13.053 ( 0.327 0.000 -0.840) 0.901 ======================= Grid point 121 (59/116) ======================= q-point: (-0.57 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -1.262 6.421 9.182) 11.275 1.050 ( 3.105 5.538 4.828) 7.977 1.182 ( -0.283 3.633 14.916) 15.355 1.428 ( 5.370 -9.208 3.774) 11.307 1.544 ( -0.329 -1.437 2.904) 3.256 1.652 ( 0.477 -0.127 2.460) 2.509 1.700 ( -1.344 0.387 0.377) 1.448 1.824 ( -4.810 -1.634 -2.255) 5.558 1.924 ( 6.136 1.796 -2.922) 7.029 2.023 ( 5.243 2.755 0.336) 5.933 2.130 ( -6.531 1.444 -2.977) 7.321 2.173 ( -2.502 0.642 1.186) 2.843 2.223 ( -0.105 5.287 0.627) 5.325 2.276 ( 3.284 3.321 3.210) 5.667 2.342 ( -2.110 1.470 2.817) 3.814 2.424 ( -5.264 -2.353 0.683) 5.807 2.472 ( -5.162 -0.977 -2.297) 5.733 2.621 ( 10.170 -0.600 4.913) 11.310 2.638 ( -5.699 -5.036 -4.855) 9.023 2.710 ( -2.075 -2.338 -7.731) 8.339 2.888 ( -5.668 0.526 -12.866) 14.069 3.079 ( 2.048 -0.248 3.031) 3.666 3.160 ( 7.783 0.893 -0.699) 7.866 3.330 ( -2.970 0.658 0.295) 3.056 3.365 ( 1.600 -1.106 -5.508) 5.841 3.632 ( -1.259 -2.595 0.893) 3.019 3.752 ( -1.711 -0.189 -0.007) 1.721 3.816 ( -1.277 1.045 0.372) 1.692 3.829 ( -2.542 -0.437 -1.007) 2.769 3.986 ( 0.054 0.430 2.860) 2.893 4.009 ( 1.208 -1.219 5.173) 5.450 4.061 ( -3.192 0.626 -2.182) 3.916 4.118 ( 5.644 0.302 -2.291) 6.098 4.197 ( 1.159 0.488 -0.936) 1.567 4.242 ( -0.693 1.425 -0.943) 1.844 4.291 ( 1.481 -2.503 0.532) 2.957 4.487 ( 2.087 -0.087 -0.245) 2.103 4.527 ( 0.602 0.821 0.404) 1.095 4.942 ( -2.021 0.370 -2.038) 2.894 4.991 ( -0.543 0.661 -1.884) 2.069 5.389 ( 0.618 -0.001 0.320) 0.696 5.708 ( 1.575 -0.012 1.182) 1.969 6.767 ( -0.492 0.433 0.798) 1.033 7.190 ( 1.064 0.918 -1.398) 1.982 8.594 ( 0.688 -0.129 -1.244) 1.427 8.648 ( -0.061 0.005 0.137) 0.150 10.181 ( -1.502 2.905 2.487) 4.108 10.267 ( 0.234 -3.344 0.685) 3.422 10.332 ( -1.443 0.457 1.895) 2.425 10.482 ( 5.701 -0.582 -5.517) 7.955 11.038 ( 3.125 1.211 -0.016) 3.351 11.142 ( -3.051 0.586 4.822) 5.736 13.041 ( 0.962 0.200 0.161) 0.995 13.052 ( 0.724 0.240 -0.629) 0.988 ======================= Grid point 122 (60/116) ======================= q-point: (-0.43 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 2.468 12.174 7.557) 14.540 1.094 ( 3.950 9.568 5.718) 11.826 1.302 ( -1.467 2.623 15.398) 15.689 1.483 ( -2.408 7.869 6.095) 10.240 1.560 ( -4.162 4.917 -0.655) 6.475 1.681 ( -0.338 -0.001 -0.657) 0.739 1.720 ( 1.889 -3.312 0.245) 3.821 1.821 ( 1.065 -3.233 1.785) 3.844 1.886 ( -3.944 5.127 1.887) 6.738 2.009 ( -5.630 -0.243 1.936) 5.958 2.062 ( 6.381 3.518 -1.049) 7.361 2.124 ( -3.414 6.108 1.705) 7.202 2.173 ( 0.699 -0.182 -1.806) 1.945 2.304 ( -1.778 -1.861 -4.222) 4.944 2.313 ( -0.164 -0.054 -3.003) 3.008 2.383 ( 1.902 -1.473 0.948) 2.586 2.490 ( 0.625 -3.099 -6.254) 7.008 2.548 ( -2.494 -2.598 -3.356) 4.923 2.657 ( -5.632 -2.514 -10.342) 12.041 2.687 ( -0.942 -11.157 2.921) 11.571 2.860 ( 10.516 0.863 3.042) 10.981 3.152 ( 3.353 2.648 1.372) 4.488 3.185 ( -2.860 -1.908 -1.146) 3.624 3.254 ( -3.262 1.307 -0.051) 3.514 3.397 ( 5.612 -1.345 -5.004) 7.638 3.608 ( -4.696 -2.368 0.192) 5.263 3.696 ( -3.123 -0.235 -0.836) 3.242 3.766 ( -0.701 1.270 -0.526) 1.543 3.837 ( 0.037 -1.451 0.075) 1.454 3.945 ( -7.180 1.150 -3.570) 8.101 4.027 ( 1.477 0.906 3.145) 3.590 4.093 ( 1.699 -0.845 3.980) 4.409 4.145 ( 1.642 2.560 -0.891) 3.169 4.182 ( -0.677 0.039 -3.241) 3.311 4.232 ( 2.155 0.692 -0.057) 2.265 4.328 ( -0.007 -3.279 -1.081) 3.453 4.514 ( 1.915 0.283 -1.525) 2.464 4.526 ( 0.071 0.729 -0.090) 0.738 4.888 ( -1.713 0.902 -0.964) 2.163 4.962 ( 0.393 1.722 -0.990) 2.025 5.422 ( 1.767 -0.054 2.252) 2.863 5.727 ( 0.175 0.463 -0.023) 0.495 6.794 ( 2.046 0.765 3.560) 4.177 7.169 ( 0.087 2.243 -1.881) 2.929 8.597 ( 0.857 -0.419 -1.091) 1.450 8.644 ( -0.312 -0.125 -0.286) 0.442 10.164 ( -0.508 2.668 2.352) 3.593 10.307 ( -0.134 -2.362 0.967) 2.556 10.335 ( -0.800 -1.122 2.598) 2.941 10.512 ( 4.741 -0.030 -6.383) 7.951 11.061 ( 1.943 2.205 -0.353) 2.960 11.115 ( -4.438 1.519 3.217) 5.688 13.054 ( 0.731 0.642 0.332) 1.028 13.058 ( 0.968 0.569 -0.028) 1.123 ======================= Grid point 123 (61/116) ======================= q-point: (-0.29 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 8.112 18.509 7.294) 21.484 1.096 ( -1.698 6.843 4.772) 8.513 1.336 ( 0.224 8.278 3.866) 9.139 1.376 ( -5.310 16.430 2.833) 17.498 1.438 ( -1.700 1.647 0.034) 2.367 1.654 ( -4.167 8.024 -3.061) 9.546 1.699 ( 4.491 3.074 7.397) 9.184 1.848 ( 3.818 -0.383 0.395) 3.858 1.961 ( 1.936 -0.551 -0.840) 2.181 1.980 ( -1.869 -1.344 0.794) 2.435 2.065 ( -2.046 -2.865 -3.432) 4.916 2.111 ( -0.398 -1.510 -7.020) 7.191 2.143 ( -0.204 -5.503 1.512) 5.711 2.233 ( -1.052 -0.272 -5.833) 5.933 2.281 ( -1.116 -0.877 -0.017) 1.419 2.361 ( -2.688 3.878 -9.768) 10.848 2.435 ( 3.334 -5.739 -6.279) 9.137 2.557 ( 0.093 -0.805 5.596) 5.655 2.622 ( -0.953 -3.592 2.850) 4.683 2.869 ( 2.519 -10.913 7.365) 13.404 2.967 ( 1.010 3.548 -2.113) 4.251 3.069 ( -5.203 -0.475 -0.272) 5.232 3.168 ( 1.003 1.661 2.572) 3.222 3.290 ( 2.858 -1.483 1.562) 3.579 3.426 ( 1.747 -1.372 -0.823) 2.369 3.569 ( -1.864 -0.402 1.482) 2.415 3.709 ( 2.060 -0.261 1.192) 2.394 3.724 ( -5.613 0.279 -4.636) 7.286 3.783 ( -2.602 -0.557 -1.835) 3.232 3.859 ( 0.849 -1.628 -1.195) 2.191 4.064 ( 1.272 1.217 0.992) 2.021 4.109 ( -0.258 1.462 -1.724) 2.275 4.131 ( -0.943 -0.351 -3.911) 4.038 4.163 ( 0.801 0.586 3.889) 4.013 4.264 ( 1.629 0.525 0.435) 1.766 4.321 ( -1.173 -1.247 -2.286) 2.856 4.491 ( 0.300 2.868 -2.363) 3.728 4.516 ( -1.736 -0.486 -0.173) 1.811 4.880 ( 1.602 -0.260 0.048) 1.624 4.962 ( 2.383 1.163 -1.023) 2.842 5.476 ( 1.583 0.068 3.360) 3.715 5.703 ( -1.811 1.065 -1.125) 2.383 6.880 ( 4.316 -0.564 3.792) 5.773 7.121 ( -0.393 3.435 -2.698) 4.386 8.605 ( 0.792 -0.676 -0.749) 1.283 8.636 ( -0.459 -0.307 -0.605) 0.820 10.174 ( 0.246 0.505 3.034) 3.086 10.318 ( -0.404 0.347 1.545) 1.634 10.367 ( -1.317 -3.422 1.471) 3.951 10.484 ( 1.382 3.315 -5.985) 6.980 11.035 ( -3.972 3.228 1.976) 5.486 11.072 ( -0.451 1.861 0.317) 1.941 13.059 ( 0.411 0.940 0.348) 1.083 13.066 ( 0.544 0.818 0.272) 1.019 ======================= Grid point 124 (62/116) ======================= q-point: (-0.14 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 1.850 13.410 7.610) 15.529 1.165 ( 5.775 7.273 5.073) 10.582 1.254 ( 3.264 10.090 -0.339) 10.610 1.357 ( 7.706 5.624 -4.160) 10.407 1.406 ( 2.101 5.306 1.602) 5.927 1.505 ( -1.573 4.678 -4.864) 6.930 1.809 ( -0.417 0.334 -5.797) 5.822 1.822 ( -3.416 -0.583 -13.441) 13.880 1.865 ( 3.850 0.315 -4.209) 5.713 1.977 ( -6.070 0.109 -3.398) 6.957 2.003 ( 4.479 4.157 0.282) 6.117 2.113 ( 0.265 -3.566 1.132) 3.750 2.177 ( -2.657 1.983 -4.040) 5.226 2.211 ( 0.390 -2.438 0.381) 2.498 2.244 ( 1.606 -2.228 4.642) 5.394 2.348 ( 0.255 1.546 11.418) 11.525 2.469 ( 3.469 -6.183 -7.278) 10.161 2.590 ( -0.426 1.654 2.085) 2.695 2.680 ( -0.146 -3.199 2.532) 4.083 2.836 ( -5.004 3.172 -1.433) 6.096 2.976 ( -4.209 -3.018 2.357) 5.690 3.121 ( -0.583 -6.302 11.865) 13.447 3.254 ( 2.876 -0.822 3.771) 4.813 3.323 ( -0.855 -0.026 1.198) 1.472 3.457 ( -0.580 0.293 -0.116) 0.660 3.493 ( -5.852 -1.415 -3.204) 6.819 3.648 ( 2.780 -1.165 -1.125) 3.218 3.769 ( 4.163 -1.093 -1.044) 4.429 3.810 ( 2.853 -1.200 1.619) 3.493 3.867 ( 1.162 -0.140 -2.057) 2.367 4.051 ( -1.106 0.055 -2.695) 2.914 4.076 ( -0.342 1.164 -1.195) 1.703 4.097 ( -0.039 -0.034 -1.743) 1.743 4.200 ( 0.027 0.153 2.197) 2.203 4.251 ( -2.175 1.996 -1.928) 3.526 4.289 ( 1.002 1.600 -0.975) 2.125 4.458 ( -0.247 1.330 -0.222) 1.371 4.487 ( -1.319 0.402 -0.696) 1.545 4.920 ( 3.181 0.163 -0.486) 3.222 4.986 ( 2.656 -1.152 -2.457) 3.797 5.529 ( 1.063 0.315 3.640) 3.805 5.641 ( -3.146 1.111 -1.820) 3.800 6.986 ( 4.377 -1.642 1.298) 4.852 7.054 ( -0.423 3.463 -3.471) 4.921 8.616 ( 0.545 -0.718 -0.312) 0.954 8.625 ( -0.418 -0.388 -0.752) 0.944 10.219 ( 0.766 -1.616 3.285) 3.740 10.314 ( -0.967 1.694 -1.493) 2.457 10.350 ( -1.906 1.778 1.487) 3.001 10.432 ( -1.060 -0.312 -0.775) 1.350 10.968 ( -3.391 2.982 2.049) 4.958 11.062 ( 0.032 1.938 1.154) 2.256 13.056 ( -0.274 0.643 0.109) 0.708 13.067 ( 0.336 0.997 0.120) 1.059 ======================= Grid point 128 (63/116) ======================= q-point: ( 0.43 -0.57 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -0.504 -0.000 5.302) 5.326 1.278 ( 5.465 0.000 13.581) 14.639 1.361 ( 3.770 0.000 5.187) 6.412 1.477 ( 0.014 0.000 4.608) 4.608 1.577 ( 1.672 0.000 7.654) 7.835 1.672 ( -1.031 -0.000 -2.422) 2.633 1.721 ( 6.446 0.000 -2.292) 6.841 1.745 ( -4.719 -0.000 5.066) 6.923 1.960 ( -7.212 -0.000 -5.787) 9.247 1.962 ( -0.212 -0.000 0.305) 0.372 2.128 ( 5.043 0.000 0.199) 5.046 2.171 ( 0.733 0.000 -0.229) 0.768 2.296 ( -2.227 -0.000 2.210) 3.138 2.311 ( 3.050 0.000 -7.220) 7.838 2.328 ( -2.390 -0.000 -2.398) 3.385 2.349 ( -1.827 -0.000 -2.876) 3.407 2.390 ( -5.379 -0.000 1.084) 5.487 2.499 ( -0.353 -0.000 7.779) 7.787 2.585 ( -4.025 -0.000 -4.884) 6.328 2.631 ( -6.995 -0.000 -12.473) 14.301 2.870 ( 11.701 0.000 3.197) 12.130 3.162 ( -3.858 -0.000 1.133) 4.021 3.177 ( 3.742 0.000 0.624) 3.793 3.265 ( -5.423 -0.000 -0.181) 5.426 3.387 ( 7.336 0.000 -5.409) 9.114 3.587 ( -3.112 -0.000 0.499) 3.151 3.690 ( -3.018 -0.000 -1.036) 3.191 3.783 ( -1.103 -0.000 -0.960) 1.462 3.823 ( -0.507 -0.000 -0.021) 0.508 3.955 ( -7.267 -0.000 -3.542) 8.085 4.039 ( 1.541 0.000 4.298) 4.566 4.079 ( 2.410 0.000 1.634) 2.912 4.168 ( 1.447 0.000 0.103) 1.451 4.183 ( -0.552 -0.000 -2.747) 2.802 4.243 ( 1.543 0.000 0.040) 1.543 4.291 ( 0.413 0.000 -1.320) 1.383 4.509 ( 0.975 0.000 -0.193) 0.994 4.543 ( 1.678 0.000 -1.877) 2.518 4.896 ( -1.886 -0.000 -1.030) 2.149 4.977 ( 0.518 0.000 -1.141) 1.253 5.422 ( 1.690 0.000 2.376) 2.916 5.731 ( 0.416 0.000 0.051) 0.419 6.801 ( 1.710 0.000 3.488) 3.885 7.189 ( 0.504 0.000 -2.003) 2.065 8.593 ( 0.803 0.000 -1.158) 1.409 8.643 ( -0.338 -0.000 -0.374) 0.504 10.196 ( -2.722 -0.000 3.764) 4.645 10.267 ( 1.396 0.000 0.138) 1.403 10.336 ( -1.070 -0.000 2.397) 2.625 10.509 ( 5.969 0.000 -6.615) 8.910 11.081 ( 2.258 0.000 -0.696) 2.363 11.128 ( -4.858 -0.000 3.806) 6.172 13.060 ( 0.820 0.000 0.537) 0.980 13.063 ( 1.038 0.000 -0.189) 1.055 ======================= Grid point 130 (64/116) ======================= q-point: (-0.43 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 0.842 0.392 3.705) 3.820 1.360 ( 2.846 13.645 2.433) 14.149 1.401 ( -1.577 2.480 6.403) 7.045 1.504 ( -0.707 2.421 -0.926) 2.687 1.631 ( -2.946 8.595 6.880) 11.396 1.667 ( 2.253 -2.946 0.208) 3.715 1.728 ( 1.153 1.754 -1.853) 2.800 1.842 ( 5.987 -0.730 -2.247) 6.436 1.881 ( 1.338 -7.592 3.549) 8.487 1.957 ( -0.415 -0.502 -3.743) 3.799 2.082 ( -6.078 1.128 -6.807) 9.195 2.122 ( -3.140 2.170 -8.957) 9.736 2.153 ( 0.884 5.220 -3.975) 6.620 2.254 ( -1.272 -2.163 -5.453) 6.003 2.276 ( 0.654 4.112 3.383) 5.365 2.346 ( 0.599 0.647 -1.796) 2.001 2.448 ( 0.634 5.595 -5.788) 8.075 2.511 ( 0.076 -6.778 4.928) 8.380 2.546 ( 1.121 -6.401 2.077) 6.822 2.673 ( 2.197 -8.634 13.409) 16.099 3.011 ( 1.622 1.497 -0.078) 2.209 3.056 ( -7.765 -0.880 -0.822) 7.858 3.199 ( 0.341 1.736 2.254) 2.865 3.262 ( 2.287 -1.389 1.376) 3.009 3.417 ( 1.854 -0.091 -0.971) 2.095 3.561 ( -2.284 -0.322 1.711) 2.872 3.698 ( 3.349 -0.487 0.702) 3.456 3.742 ( -6.869 1.310 -5.084) 8.645 3.774 ( -1.641 -0.838 -2.201) 2.871 3.839 ( -0.099 -0.611 -1.247) 1.392 4.083 ( 0.967 1.018 -1.392) 1.977 4.108 ( 1.122 -0.824 0.707) 1.561 4.132 ( -1.381 0.134 -4.019) 4.252 4.180 ( -0.417 0.902 3.244) 3.393 4.271 ( -0.083 0.189 -0.451) 0.496 4.296 ( 2.332 -1.024 -0.389) 2.577 4.508 ( -0.554 -0.013 -0.757) 0.938 4.533 ( 0.403 1.210 -2.605) 2.901 4.879 ( 0.649 0.059 -0.086) 0.657 4.982 ( 1.933 0.785 -1.458) 2.545 5.477 ( 1.558 0.021 3.707) 4.022 5.716 ( -1.646 0.472 -0.989) 1.977 6.876 ( 2.976 -0.035 4.327) 5.251 7.165 ( 0.141 1.517 -2.920) 3.294 8.597 ( 0.779 -0.305 -0.863) 1.202 8.632 ( -0.471 -0.150 -0.793) 0.934 10.182 ( -2.579 0.423 2.898) 3.903 10.297 ( 0.197 -1.810 1.060) 2.106 10.344 ( -0.946 0.098 2.508) 2.682 10.523 ( 4.580 1.263 -6.791) 8.288 11.073 ( -5.392 1.191 2.763) 6.175 11.095 ( 0.431 0.751 -0.031) 0.866 13.071 ( 0.168 0.422 0.521) 0.691 13.077 ( 0.796 0.360 0.191) 0.894 ======================= Grid point 131 (65/116) ======================= q-point: (-0.29 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 1.032 1.474 1.083) 2.100 1.298 ( -2.007 13.152 5.746) 14.492 1.347 ( -2.539 1.503 -2.155) 3.654 1.453 ( 2.761 7.670 -1.657) 8.318 1.595 ( -0.667 5.500 -7.461) 9.293 1.619 ( 5.129 12.173 4.763) 14.042 1.756 ( -1.116 -3.534 -8.941) 9.679 1.838 ( -1.651 -1.760 -12.328) 12.562 1.886 ( 4.019 4.581 -7.842) 9.931 1.947 ( 0.699 -2.805 2.690) 3.949 2.011 ( 0.621 -3.421 3.201) 4.726 2.091 ( -0.500 -3.232 2.544) 4.143 2.114 ( 3.099 0.710 -4.477) 5.491 2.228 ( -1.648 -1.568 0.766) 2.400 2.303 ( 1.112 7.165 -3.369) 7.995 2.315 ( 0.673 -4.293 0.617) 4.389 2.414 ( 3.690 0.250 0.660) 3.757 2.587 ( 0.940 -4.149 2.699) 5.038 2.658 ( 1.718 2.990 8.129) 8.830 2.874 ( -7.995 0.036 1.540) 8.142 2.917 ( -1.115 -3.830 1.240) 4.178 3.010 ( -2.898 -5.628 11.681) 13.286 3.252 ( 0.634 0.680 2.738) 2.891 3.309 ( 0.240 -1.592 1.603) 2.272 3.460 ( 2.373 0.059 2.414) 3.385 3.475 ( -8.606 -0.776 -4.224) 9.618 3.628 ( 0.847 -0.867 -1.351) 1.816 3.754 ( 2.283 -0.596 -0.735) 2.471 3.797 ( 4.175 -0.472 0.594) 4.243 3.853 ( 2.299 -1.201 -2.226) 3.418 4.048 ( -0.534 0.314 -4.376) 4.419 4.086 ( -0.069 -0.807 -2.547) 2.673 4.114 ( -0.621 1.889 0.051) 1.989 4.201 ( -0.166 0.003 1.726) 1.734 4.261 ( -0.544 -0.087 0.254) 0.607 4.321 ( 1.489 1.679 -0.999) 2.456 4.482 ( -0.960 0.973 -0.893) 1.633 4.496 ( -0.975 0.898 -1.394) 1.924 4.910 ( 2.905 -0.798 -0.244) 3.023 4.988 ( 2.118 0.791 -2.370) 3.276 5.534 ( 1.133 0.309 4.035) 4.202 5.658 ( -3.388 0.893 -1.702) 3.895 6.966 ( 3.360 -0.740 3.370) 4.816 7.110 ( -0.507 2.899 -4.138) 5.078 8.605 ( 0.644 -0.569 -0.405) 0.950 8.619 ( -0.355 -0.363 -0.975) 1.099 10.178 ( -2.088 -2.363 2.006) 3.738 10.314 ( -1.293 -1.388 1.446) 2.385 10.354 ( -0.892 -0.187 2.134) 2.321 10.487 ( 1.794 4.516 -5.478) 7.322 11.009 ( -4.349 1.777 2.387) 5.270 11.091 ( -0.384 1.423 1.321) 1.979 13.067 ( -0.569 0.572 0.174) 0.825 13.082 ( 0.270 0.762 0.163) 0.824 ======================= Grid point 132 (66/116) ======================= q-point: (-0.14 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 2.669 2.165 -2.773) 4.416 1.218 ( -4.613 5.910 -0.433) 7.509 1.298 ( 1.194 2.897 1.969) 3.701 1.415 ( 0.564 4.122 -3.215) 5.258 1.507 ( 5.360 3.969 -4.292) 7.931 1.556 ( -4.849 3.818 -10.070) 11.810 1.682 ( 7.607 6.344 -6.047) 11.605 1.763 ( 2.343 -0.509 -1.905) 3.062 1.836 ( -6.156 2.969 -2.573) 7.303 1.991 ( 7.460 4.419 -1.872) 8.871 2.042 ( -0.619 -3.357 0.767) 3.498 2.117 ( -1.280 -0.241 0.101) 1.306 2.152 ( 0.110 0.857 3.501) 3.606 2.230 ( 1.063 0.374 1.834) 2.152 2.293 ( 6.140 2.256 -1.012) 6.619 2.379 ( 4.374 -8.226 -4.806) 10.483 2.512 ( 1.626 -2.794 3.719) 4.927 2.650 ( -0.278 -2.090 2.379) 3.179 2.684 ( -7.775 -0.185 2.597) 8.200 2.724 ( -2.784 1.577 3.284) 4.585 2.939 ( -1.157 1.114 8.164) 8.321 3.175 ( -5.084 -1.674 8.230) 9.817 3.238 ( -1.618 -3.269 1.245) 3.854 3.281 ( -3.165 -2.418 -0.574) 4.024 3.398 ( 0.220 0.325 -0.982) 1.058 3.519 ( 1.964 0.630 3.044) 3.677 3.662 ( 2.626 -2.551 -1.711) 4.041 3.788 ( 2.267 -2.555 -1.805) 3.863 3.868 ( 3.816 1.245 -1.441) 4.265 3.894 ( 3.656 -1.745 1.221) 4.231 4.007 ( 0.433 0.258 -2.092) 2.152 4.067 ( -1.657 1.192 0.252) 2.057 4.097 ( 1.161 -0.133 -0.981) 1.526 4.187 ( -1.415 1.034 -1.358) 2.218 4.257 ( 0.034 2.138 0.322) 2.162 4.300 ( 0.247 1.611 -1.968) 2.556 4.461 ( -0.606 0.574 0.069) 0.838 4.470 ( -0.491 0.182 -0.178) 0.553 4.958 ( 3.059 -0.601 -1.027) 3.282 4.991 ( 2.146 0.032 -2.601) 3.372 5.564 ( -3.089 0.898 -0.880) 3.335 5.591 ( -0.281 0.514 2.271) 2.346 7.009 ( -1.347 3.001 -3.817) 5.039 7.062 ( 2.861 -0.835 0.254) 2.991 8.608 ( -0.105 -0.438 -0.969) 1.069 8.618 ( 0.522 -0.606 0.042) 0.801 10.194 ( -1.615 -4.959 0.052) 5.215 10.308 ( -2.168 0.502 2.158) 3.100 10.363 ( 0.001 0.053 1.397) 1.398 10.417 ( -0.573 3.987 -2.457) 4.718 10.965 ( -2.043 1.895 1.655) 3.241 11.091 ( -0.807 1.289 2.898) 3.273 13.051 ( -0.829 0.454 -0.332) 1.002 13.076 ( -0.200 0.776 -0.196) 0.825 ======================= Grid point 137 (67/116) ======================= q-point: (-0.43 0.57 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 1.015 0.000 0.623) 1.191 1.357 ( -2.338 -0.000 -2.398) 3.349 1.459 ( -4.412 -0.000 0.935) 4.510 1.538 ( 3.608 0.000 2.280) 4.268 1.616 ( 0.822 0.000 -2.496) 2.628 1.650 ( -3.473 -0.000 -1.116) 3.648 1.804 ( -7.625 -0.000 -16.305) 18.000 1.804 ( 0.187 0.000 -8.553) 8.555 1.914 ( 7.151 0.000 10.850) 12.995 1.940 ( 9.046 0.000 -3.096) 9.561 1.991 ( 2.018 0.000 -3.331) 3.895 2.042 ( 0.546 0.000 -2.326) 2.389 2.139 ( 0.059 0.000 -4.779) 4.780 2.180 ( 0.085 0.000 0.197) 0.214 2.266 ( -1.607 -0.000 -0.496) 1.682 2.406 ( 0.966 0.000 -1.664) 1.924 2.449 ( -2.086 -0.000 -3.242) 3.855 2.494 ( 4.516 0.000 2.620) 5.221 2.729 ( 6.111 0.000 18.045) 19.052 2.801 ( 2.741 0.000 7.647) 8.124 2.908 ( -9.577 -0.000 -3.592) 10.229 2.968 ( -6.108 -0.000 8.662) 10.598 3.268 ( -1.745 -0.000 1.524) 2.316 3.285 ( 1.843 0.000 2.444) 3.061 3.460 ( 2.546 0.000 2.759) 3.754 3.468 ( -8.787 -0.000 -3.563) 9.482 3.622 ( -0.063 -0.000 -1.497) 1.498 3.750 ( 1.756 0.000 -1.015) 2.028 3.794 ( 4.792 0.000 -0.490) 4.817 3.841 ( 2.235 0.000 -1.782) 2.858 4.060 ( 0.505 0.000 -2.687) 2.734 4.069 ( -0.894 -0.000 -4.445) 4.534 4.131 ( -0.381 -0.000 -0.154) 0.411 4.201 ( -0.344 -0.000 1.363) 1.406 4.259 ( -0.073 -0.000 0.761) 0.765 4.336 ( 2.102 0.000 -0.566) 2.177 4.488 ( -1.017 -0.000 -0.713) 1.242 4.507 ( -1.177 -0.000 -2.051) 2.365 4.903 ( 2.479 0.000 -0.028) 2.480 4.996 ( 2.053 0.000 -2.570) 3.289 5.537 ( 1.207 0.000 4.244) 4.413 5.666 ( -3.521 -0.000 -1.665) 3.895 6.961 ( 2.877 0.000 3.968) 4.901 7.135 ( -0.380 -0.000 -4.395) 4.411 8.600 ( 0.714 0.000 -0.458) 0.849 8.615 ( -0.336 -0.000 -1.088) 1.139 10.157 ( -3.308 -0.000 1.669) 3.706 10.298 ( -1.394 -0.000 2.004) 2.441 10.354 ( -0.678 -0.000 2.014) 2.125 10.527 ( 3.135 0.000 -6.210) 6.956 11.024 ( -4.683 -0.000 2.602) 5.357 11.103 ( -0.656 -0.000 1.384) 1.531 13.072 ( -0.689 -0.000 0.202) 0.718 13.089 ( 0.238 0.000 0.182) 0.300 ======================= Grid point 139 (68/116) ======================= q-point: (-0.29 -0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 1.971 0.119 -1.853) 2.708 1.268 ( -6.016 0.963 -4.120) 7.355 1.370 ( -2.275 3.534 -2.302) 4.792 1.517 ( -3.007 7.098 -3.165) 8.333 1.543 ( -0.940 3.475 -5.644) 6.694 1.626 ( 1.263 0.293 -1.924) 2.320 1.676 ( 0.060 -6.886 -3.015) 7.517 1.757 ( 5.381 1.156 -4.016) 6.813 1.917 ( -3.585 7.962 -3.224) 9.308 1.995 ( -1.022 -1.786 0.007) 2.058 2.063 ( 3.251 0.810 2.015) 3.910 2.120 ( 2.321 -3.909 -2.212) 5.056 2.146 ( 11.476 2.539 -1.214) 11.816 2.228 ( 2.838 -0.269 2.558) 3.830 2.251 ( -1.591 -2.611 2.383) 3.876 2.373 ( 1.705 3.093 -3.439) 4.929 2.439 ( 1.668 -4.585 -0.611) 4.917 2.619 ( 1.368 -1.449 3.107) 3.691 2.667 ( -11.804 -0.481 -0.166) 11.815 2.760 ( -6.692 1.187 0.078) 6.797 2.991 ( 4.280 4.348 15.527) 16.683 3.125 ( 2.588 -4.186 14.443) 15.258 3.200 ( -5.581 -0.874 -3.535) 6.664 3.248 ( -3.266 -1.367 -0.677) 3.604 3.401 ( 0.197 0.097 -2.571) 2.580 3.527 ( 2.051 0.313 3.382) 3.968 3.631 ( 1.604 -1.040 -1.327) 2.327 3.759 ( 1.390 -0.942 -1.516) 2.262 3.868 ( 4.009 -0.873 0.943) 4.210 3.878 ( 4.126 -0.100 -0.376) 4.144 4.022 ( 0.327 1.459 -2.400) 2.828 4.068 ( 1.383 -1.313 -1.250) 2.280 4.098 ( -1.880 0.510 -0.777) 2.097 4.194 ( -0.925 0.171 -0.778) 1.221 4.274 ( 0.967 0.291 0.063) 1.012 4.333 ( -0.091 1.488 -2.143) 2.611 4.469 ( -1.241 0.338 -0.660) 1.446 4.472 ( -0.694 0.064 0.117) 0.706 4.946 ( 2.830 -0.498 -0.233) 2.883 4.998 ( 2.254 0.413 -3.005) 3.779 5.580 ( -3.883 0.817 -1.286) 4.171 5.594 ( 0.106 -0.154 2.942) 2.948 7.034 ( 2.072 0.155 2.347) 3.135 7.067 ( -1.088 1.033 -5.412) 5.616 8.602 ( 0.044 -0.177 -1.157) 1.172 8.610 ( 0.689 -0.308 0.024) 0.755 10.130 ( -2.603 -2.258 0.473) 3.479 10.291 ( -3.038 -1.110 2.738) 4.238 10.363 ( -0.130 0.116 1.362) 1.373 10.490 ( 0.530 2.918 -4.698) 5.556 10.988 ( -2.508 0.793 1.940) 3.268 11.105 ( -1.719 0.412 3.093) 3.562 13.057 ( -1.084 0.216 -0.291) 1.143 13.086 ( -0.443 0.348 -0.180) 0.591 ======================= Grid point 140 (69/116) ======================= q-point: (-0.14 -0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -11.550 0.636 -3.281) 12.024 1.169 ( 1.253 2.565 -2.646) 3.892 1.330 ( -1.417 -1.554 -2.260) 3.087 1.390 ( -9.534 5.084 -0.982) 10.850 1.501 ( 2.804 0.701 2.803) 4.026 1.650 ( 7.106 6.736 -0.735) 9.819 1.687 ( 3.987 1.769 -2.165) 4.870 1.747 ( -3.478 3.491 -4.847) 6.912 1.854 ( 6.465 -2.466 0.927) 6.981 1.997 ( -1.798 -4.532 0.276) 4.884 2.048 ( -1.834 1.978 -2.582) 3.734 2.101 ( -3.669 1.758 -0.406) 4.088 2.252 ( -0.486 4.487 4.226) 6.183 2.306 ( 1.350 0.606 2.885) 3.243 2.332 ( 3.405 -5.770 -2.327) 7.092 2.384 ( 2.743 -0.205 -0.951) 2.910 2.437 ( -6.163 -3.185 1.699) 7.142 2.490 ( -0.775 -5.394 1.102) 5.560 2.690 ( -2.536 -3.610 -0.292) 4.422 2.780 ( 9.028 3.483 4.790) 10.797 3.036 ( -6.249 -0.524 1.872) 6.544 3.143 ( -4.364 0.822 -6.386) 7.778 3.191 ( 5.060 4.370 4.819) 8.242 3.314 ( 0.340 -1.293 2.099) 2.489 3.374 ( 1.607 -1.577 -0.621) 2.336 3.586 ( 1.312 0.312 5.276) 5.446 3.662 ( 2.216 -2.252 -0.732) 3.243 3.776 ( -0.295 -1.299 0.254) 1.356 3.930 ( 3.049 1.836 -0.057) 3.560 3.940 ( 3.188 -1.068 0.156) 3.365 4.009 ( -1.292 -0.037 0.336) 1.335 4.063 ( 0.586 0.042 0.613) 0.849 4.106 ( 0.824 -0.767 -0.290) 1.162 4.174 ( 1.261 -0.117 -0.940) 1.577 4.264 ( -1.420 2.771 -1.996) 3.698 4.285 ( 0.074 0.351 -2.457) 2.483 4.449 ( -0.355 -0.241 -0.579) 0.720 4.479 ( 0.032 0.302 2.237) 2.257 4.982 ( 1.756 -0.397 -0.859) 1.995 5.001 ( 2.254 0.335 -3.010) 3.776 5.482 ( -4.555 0.355 -2.540) 5.228 5.638 ( 0.962 0.414 3.044) 3.219 6.948 ( -2.887 2.901 -6.531) 7.707 7.100 ( 1.833 -1.298 1.365) 2.628 8.597 ( 0.463 -0.265 -1.181) 1.296 8.625 ( 0.622 -0.335 0.443) 0.833 10.125 ( -1.364 -3.944 -0.947) 4.279 10.290 ( -2.703 -2.214 4.009) 5.318 10.376 ( 0.602 -0.114 0.685) 0.920 10.416 ( -1.369 3.917 -2.511) 4.850 10.971 ( -0.679 1.275 1.140) 1.840 11.106 ( -2.456 -0.073 4.179) 4.847 13.036 ( -0.730 0.127 -0.557) 0.927 13.069 ( -0.744 0.354 -0.638) 1.042 ======================= Grid point 146 (70/116) ======================= q-point: (-0.29 -0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -12.731 -0.000 -3.831) 13.295 1.201 ( 3.031 0.000 -0.607) 3.091 1.298 ( -1.218 -0.000 -4.883) 5.033 1.439 ( -10.272 -0.000 -2.125) 10.489 1.516 ( -0.982 -0.000 3.499) 3.634 1.682 ( 5.230 0.000 -1.213) 5.369 1.697 ( 4.898 0.000 1.783) 5.212 1.828 ( 2.633 0.000 0.495) 2.679 1.850 ( -2.030 -0.000 -2.146) 2.954 1.933 ( -3.516 -0.000 -3.015) 4.631 2.073 ( -1.361 -0.000 -3.716) 3.958 2.132 ( -0.401 -0.000 -1.719) 1.766 2.187 ( -6.141 -0.000 0.708) 6.182 2.319 ( 3.793 0.000 3.837) 5.395 2.346 ( 4.426 0.000 -1.472) 4.664 2.382 ( 2.734 0.000 -0.910) 2.882 2.424 ( -6.987 -0.000 8.346) 10.885 2.431 ( 1.742 0.000 -0.275) 1.764 2.652 ( -2.961 -0.000 -1.433) 3.290 2.812 ( 10.213 0.000 4.694) 11.240 3.030 ( -6.642 -0.000 0.039) 6.642 3.146 ( -4.143 -0.000 -7.702) 8.745 3.245 ( 2.397 0.000 4.115) 4.762 3.294 ( 4.626 0.000 7.538) 8.844 3.357 ( 1.279 0.000 -3.183) 3.430 3.593 ( 1.711 0.000 5.199) 5.474 3.638 ( 1.744 0.000 -0.439) 1.799 3.764 ( -0.120 -0.000 1.137) 1.144 3.925 ( 2.759 0.000 1.754) 3.269 3.957 ( 4.618 0.000 0.491) 4.644 4.001 ( -2.361 -0.000 -0.604) 2.437 4.072 ( -0.312 -0.000 -0.552) 0.634 4.087 ( 1.957 0.000 -0.046) 1.957 4.171 ( 0.075 0.000 -1.545) 1.547 4.282 ( 0.861 0.000 -1.763) 1.962 4.297 ( -1.938 -0.000 -3.373) 3.890 4.446 ( -0.800 -0.000 -0.407) 0.898 4.483 ( 0.306 0.000 2.401) 2.421 4.978 ( 1.626 0.000 -0.217) 1.641 5.005 ( 2.432 0.000 -3.603) 4.347 5.485 ( -4.850 -0.000 -2.539) 5.475 5.641 ( 0.907 0.000 3.081) 3.212 6.976 ( -2.491 -0.000 -7.538) 7.939 7.088 ( 1.317 0.000 2.066) 2.450 8.595 ( 0.588 0.000 -1.263) 1.393 8.622 ( 0.734 0.000 0.455) 0.864 10.089 ( -1.633 -0.000 0.081) 1.635 10.267 ( -3.488 -0.000 4.164) 5.433 10.378 ( 0.728 0.000 0.558) 0.917 10.452 ( -1.750 -0.000 -3.545) 3.954 10.983 ( -0.716 -0.000 1.201) 1.398 11.105 ( -3.231 -0.000 4.342) 5.412 13.037 ( -0.898 -0.000 -0.553) 1.054 13.072 ( -0.922 -0.000 -0.643) 1.124 ======================= Grid point 147 (71/116) ======================= q-point: (-0.14 -0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( -13.819 -1.129 8.519) 16.273 1.172 ( -19.072 6.806 0.813) 20.266 1.211 ( -0.517 3.899 0.427) 3.956 1.301 ( -0.116 -5.773 1.170) 5.891 1.550 ( -0.791 -1.280 2.579) 2.986 1.659 ( -9.965 -0.939 -0.782) 10.039 1.730 ( 0.089 -2.771 -3.954) 4.829 1.830 ( 2.175 2.616 1.416) 3.685 1.871 ( -0.711 -1.589 3.191) 3.635 1.955 ( 3.421 -0.502 4.737) 5.865 1.978 ( -9.420 1.147 -0.486) 9.502 2.036 ( 2.119 -0.476 -0.338) 2.198 2.096 ( -4.798 -3.574 0.046) 5.983 2.337 ( 0.962 4.047 0.391) 4.179 2.385 ( -1.115 2.071 2.206) 3.225 2.464 ( 5.383 -3.351 -0.410) 6.354 2.496 ( 4.903 1.885 2.714) 5.912 2.530 ( 5.596 -1.415 3.582) 6.793 2.685 ( 6.817 -1.402 -1.034) 7.036 2.949 ( -1.575 -0.050 -1.853) 2.433 2.966 ( -3.167 1.195 -13.381) 13.802 3.012 ( 8.186 0.659 2.797) 8.676 3.165 ( -5.235 -0.169 -6.476) 8.328 3.351 ( -0.941 0.891 -0.010) 1.296 3.421 ( 5.165 -0.240 -2.695) 5.831 3.680 ( 2.762 1.888 5.429) 6.377 3.712 ( 4.056 -1.533 6.015) 7.415 3.757 ( -3.349 -0.173 2.023) 3.916 3.953 ( -0.664 1.188 -2.498) 2.845 3.971 ( -1.619 -0.368 -2.628) 3.109 3.987 ( 0.980 -0.607 3.544) 3.727 4.064 ( -0.637 0.005 -0.910) 1.111 4.109 ( -0.049 -0.464 0.449) 0.647 4.211 ( 5.007 -1.129 -1.841) 5.453 4.219 ( -2.452 1.009 -1.176) 2.901 4.268 ( 0.577 -0.278 -2.927) 2.996 4.440 ( 0.178 -0.429 -0.462) 0.655 4.529 ( 1.444 1.164 5.422) 5.731 4.978 ( -1.094 -0.098 -1.183) 1.614 4.993 ( 0.985 -0.018 -4.801) 4.901 5.406 ( -2.332 0.005 -1.759) 2.921 5.679 ( 0.872 0.112 2.093) 2.270 6.850 ( -3.748 1.436 -6.896) 7.979 7.116 ( 0.142 -0.987 0.813) 1.286 8.595 ( 1.031 -0.057 -1.227) 1.604 8.638 ( 0.527 -0.079 0.559) 0.772 10.084 ( -0.240 -1.584 0.083) 1.605 10.286 ( -1.162 -2.340 5.749) 6.315 10.382 ( -2.375 1.254 -1.567) 3.109 10.398 ( 1.264 -0.068 0.052) 1.267 10.986 ( 0.300 0.882 0.595) 1.105 11.093 ( -4.317 -0.939 4.541) 6.335 13.024 ( -0.137 -0.087 -0.400) 0.432 13.050 ( -0.799 0.009 -0.852) 1.168 ======================= Grid point 154 (72/116) ======================= q-point: (-0.14 -0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -11.708 -0.000 17.222) 20.825 0.898 ( -23.696 -0.000 4.839) 24.185 1.215 ( -7.525 -0.000 8.610) 11.435 1.299 ( -23.400 -0.000 7.657) 24.621 1.313 ( -1.285 -0.000 3.689) 3.907 1.550 ( -3.174 -0.000 0.009) 3.174 1.603 ( -10.861 -0.000 -4.243) 11.660 1.766 ( -2.318 -0.000 -2.412) 3.345 1.933 ( 7.392 0.000 -2.994) 7.975 2.038 ( 8.633 0.000 2.544) 9.000 2.086 ( 5.505 0.000 0.102) 5.506 2.126 ( 4.534 0.000 6.870) 8.231 2.135 ( 6.100 0.000 10.650) 12.273 2.338 ( -3.344 -0.000 1.357) 3.609 2.381 ( -3.425 -0.000 -0.628) 3.482 2.468 ( -1.532 -0.000 -0.748) 1.705 2.586 ( 3.934 0.000 -1.256) 4.130 2.651 ( 5.669 0.000 -0.829) 5.729 2.742 ( 1.177 0.000 -12.472) 12.528 2.851 ( 11.063 0.000 -2.998) 11.462 2.888 ( -4.108 -0.000 -7.161) 8.255 3.026 ( -0.544 -0.000 -3.697) 3.737 3.194 ( 6.734 0.000 1.896) 6.996 3.273 ( -6.016 -0.000 -3.338) 6.880 3.466 ( 6.322 0.000 -4.527) 7.775 3.703 ( -5.808 -0.000 1.825) 6.088 3.778 ( 0.954 0.000 2.170) 2.371 3.815 ( -6.643 -0.000 -9.236) 11.377 3.837 ( 4.817 0.000 4.353) 6.493 3.951 ( -1.171 -0.000 1.592) 1.976 4.007 ( -3.704 -0.000 1.176) 3.886 4.054 ( 1.426 0.000 1.011) 1.748 4.072 ( -4.364 -0.000 0.788) 4.434 4.202 ( 1.087 0.000 0.135) 1.095 4.237 ( 0.425 0.000 -4.002) 4.024 4.278 ( 5.738 0.000 -2.934) 6.444 4.438 ( 0.531 0.000 -0.615) 0.813 4.647 ( 4.355 0.000 6.847) 8.114 4.926 ( -2.592 -0.000 -5.958) 6.498 4.926 ( -3.368 -0.000 -1.431) 3.659 5.388 ( 0.886 0.000 0.138) 0.897 5.705 ( 0.472 0.000 1.107) 1.203 6.747 ( -3.238 -0.000 -2.116) 3.868 7.107 ( -1.033 -0.000 -0.260) 1.065 8.602 ( 1.315 0.000 -1.125) 1.730 8.648 ( 0.171 0.000 0.351) 0.391 10.093 ( 0.865 0.000 1.464) 1.701 10.308 ( -1.980 -0.000 1.580) 2.533 10.367 ( 1.714 0.000 3.563) 3.953 10.425 ( 2.060 0.000 0.018) 2.060 11.002 ( 0.846 0.000 0.044) 0.847 11.053 ( -5.668 -0.000 4.021) 6.950 13.025 ( 0.495 0.000 0.027) 0.495 13.034 ( -0.297 -0.000 -0.649) 0.714 ======================= Grid point 155 (73/116) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 0.614 0.000 9.452) 9.472 0.856 ( -0.340 -0.000 11.024) 11.029 1.135 ( 0.621 0.000 -2.048) 2.140 1.171 ( -5.380 -0.000 -2.626) 5.987 1.429 ( -2.137 -0.000 -0.786) 2.276 1.438 ( 1.857 0.000 -2.438) 3.065 1.668 ( 4.968 0.000 -9.292) 10.537 1.697 ( -3.204 -0.000 -10.378) 10.861 1.877 ( 8.277 0.000 -10.536) 13.398 1.895 ( 1.268 0.000 -0.419) 1.336 1.970 ( -8.776 -0.000 -6.352) 10.833 2.077 ( -6.105 -0.000 -4.915) 7.838 2.229 ( -2.076 -0.000 1.887) 2.806 2.302 ( 1.526 0.000 -0.874) 1.758 2.317 ( 4.878 0.000 11.498) 12.490 2.438 ( -3.885 -0.000 1.742) 4.258 2.572 ( -3.656 -0.000 -1.543) 3.968 2.576 ( -0.671 -0.000 8.653) 8.679 2.655 ( 3.782 0.000 -3.686) 5.281 2.825 ( -1.554 -0.000 1.125) 1.918 3.099 ( -2.259 -0.000 4.871) 5.370 3.189 ( 6.992 0.000 4.822) 8.493 3.265 ( 4.914 0.000 3.720) 6.163 3.378 ( 3.446 0.000 9.077) 9.710 3.517 ( -9.124 -0.000 -6.826) 11.395 3.526 ( 1.137 0.000 1.253) 1.691 3.632 ( -1.451 -0.000 0.867) 1.691 3.686 ( 4.367 0.000 -0.758) 4.432 3.844 ( -3.731 -0.000 -3.592) 5.179 3.850 ( 0.103 0.000 -0.495) 0.505 4.016 ( 2.740 0.000 -1.638) 3.193 4.072 ( -0.606 -0.000 1.355) 1.484 4.113 ( -0.454 -0.000 -1.283) 1.361 4.146 ( -0.856 -0.000 -7.269) 7.319 4.219 ( -0.078 -0.000 2.489) 2.490 4.266 ( 0.740 0.000 -0.222) 0.773 4.442 ( 0.965 0.000 0.677) 1.179 4.517 ( -3.660 -0.000 -2.182) 4.261 4.879 ( 1.173 0.000 0.784) 1.411 4.947 ( 1.958 0.000 -2.585) 3.243 5.533 ( 2.087 0.000 3.284) 3.891 5.645 ( -2.247 -0.000 -2.218) 3.157 6.926 ( 5.475 0.000 0.941) 5.555 6.995 ( -2.157 -0.000 -2.454) 3.267 8.614 ( 0.901 0.000 0.015) 0.902 8.633 ( -0.577 -0.000 -0.631) 0.855 10.200 ( -0.486 -0.000 2.275) 2.326 10.280 ( 1.639 0.000 -1.595) 2.287 10.418 ( -2.684 -0.000 3.117) 4.113 10.481 ( 0.293 0.000 -0.132) 0.321 10.987 ( -4.169 -0.000 1.779) 4.533 11.023 ( 1.430 0.000 -0.163) 1.439 13.042 ( 0.699 0.000 0.315) 0.767 13.052 ( -0.015 -0.000 0.021) 0.026 ======================= Grid point 156 (74/116) ======================= q-point: ( 0.14 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 6.835 -1.174 3.959) 7.985 1.091 ( 4.989 -7.554 0.489) 9.066 1.125 ( 8.202 -4.718 5.300) 10.845 1.231 ( 9.172 -2.971 -1.611) 9.775 1.372 ( -1.473 0.366 -1.008) 1.822 1.434 ( -0.291 0.792 -0.822) 1.178 1.563 ( -3.772 -0.064 -10.207) 10.882 1.654 ( -7.549 -2.240 -4.691) 9.166 1.704 ( 7.705 -3.346 -4.687) 9.620 1.864 ( -5.577 -0.936 -3.313) 6.554 1.999 ( 3.779 1.528 -1.537) 4.357 2.067 ( 5.179 -2.838 2.662) 6.478 2.200 ( -3.046 2.555 1.408) 4.218 2.295 ( -1.354 1.293 0.818) 2.043 2.382 ( -0.060 3.035 -1.799) 3.528 2.446 ( 1.682 6.073 -0.075) 6.302 2.554 ( 0.468 -5.878 1.896) 6.194 2.652 ( 1.184 0.471 8.765) 8.858 2.694 ( 1.557 -1.291 3.895) 4.389 2.794 ( -2.109 0.564 -2.555) 3.360 3.079 ( -5.269 0.898 3.753) 6.530 3.293 ( -3.862 -0.639 -3.158) 5.029 3.320 ( -0.563 1.032 -3.028) 3.248 3.368 ( 2.821 1.273 4.414) 5.391 3.464 ( -3.614 1.501 4.868) 6.246 3.518 ( -0.705 0.029 0.754) 1.032 3.655 ( 2.869 0.137 0.849) 2.995 3.753 ( 4.592 0.550 -1.365) 4.822 3.769 ( -0.174 -0.372 -2.610) 2.642 3.876 ( 4.035 0.542 0.258) 4.079 4.020 ( -1.408 2.679 -2.946) 4.224 4.055 ( 1.483 -0.471 -1.232) 1.985 4.081 ( -1.360 -1.052 1.106) 2.045 4.109 ( -1.763 -3.726 -2.133) 4.642 4.236 ( -0.114 -0.259 1.215) 1.247 4.270 ( 0.550 0.093 -0.768) 0.949 4.461 ( -1.474 -0.028 -1.318) 1.977 4.472 ( 0.909 -0.122 2.061) 2.256 4.911 ( 2.121 -0.054 0.258) 2.137 4.943 ( 2.029 0.410 -3.371) 3.956 5.581 ( -2.862 -0.205 -2.017) 3.507 5.593 ( 0.908 -0.571 2.686) 2.892 6.940 ( -2.236 -1.180 -3.179) 4.062 7.008 ( 4.767 -0.251 0.022) 4.774 8.616 ( -0.606 0.252 -0.826) 1.055 8.625 ( 0.607 0.302 0.281) 0.734 10.220 ( -0.421 -2.372 1.421) 2.797 10.287 ( 1.846 1.326 -2.057) 3.065 10.403 ( -3.044 0.482 3.267) 4.491 10.463 ( -1.650 1.146 -0.154) 2.015 10.964 ( -2.419 -1.395 1.900) 3.378 11.057 ( 2.055 -1.169 1.031) 2.579 13.046 ( -0.563 -0.293 -0.396) 0.748 13.054 ( 0.287 -0.476 0.016) 0.556 ======================= Grid point 157 (75/116) ======================= q-point: ( 0.29 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 1.512 -1.136 2.109) 2.832 1.157 ( -2.246 -2.986 1.724) 4.115 1.296 ( -4.483 -4.338 -0.964) 6.312 1.329 ( 1.221 -2.609 2.941) 4.117 1.410 ( 5.484 -0.354 1.862) 5.803 1.474 ( 5.159 -0.237 1.033) 5.267 1.533 ( 8.255 -3.004 -0.034) 8.785 1.686 ( 4.247 -5.593 0.773) 7.065 1.749 ( -2.730 -2.004 -1.318) 3.634 1.879 ( 11.966 -7.017 -1.303) 13.933 2.046 ( 3.419 1.883 1.051) 4.042 2.118 ( -4.975 2.382 -0.396) 5.530 2.167 ( 0.766 -1.993 2.040) 2.953 2.267 ( -1.934 -1.752 1.732) 3.132 2.372 ( 3.764 6.565 0.093) 7.568 2.418 ( 2.960 4.880 -0.572) 5.736 2.581 ( -0.964 -0.003 0.672) 1.175 2.679 ( 0.085 -0.714 -0.721) 1.018 2.713 ( -3.314 0.726 -2.732) 4.356 2.815 ( 0.252 1.753 2.935) 3.427 3.061 ( -0.897 -2.600 6.809) 7.344 3.114 ( -6.544 0.234 -8.737) 10.919 3.250 ( -7.577 3.453 -2.640) 8.735 3.351 ( -3.652 1.002 -5.082) 6.338 3.423 ( 1.079 3.381 -0.036) 3.549 3.588 ( 2.035 -3.314 5.746) 6.938 3.696 ( 2.072 2.637 1.627) 3.727 3.763 ( 2.639 -0.519 -2.081) 3.400 3.825 ( 5.209 0.954 -0.279) 5.303 3.917 ( 1.169 -0.001 -1.040) 1.565 3.997 ( 1.994 -0.750 0.565) 2.204 4.075 ( 0.808 -1.185 -0.755) 1.621 4.093 ( -2.019 -2.806 2.063) 4.026 4.099 ( 0.219 -0.805 0.545) 0.996 4.241 ( -0.455 -0.146 0.148) 0.500 4.265 ( 0.396 0.512 -1.274) 1.429 4.437 ( -0.319 -0.503 -1.240) 1.375 4.509 ( 0.471 0.650 3.426) 3.519 4.939 ( 2.030 0.331 -1.227) 2.395 4.946 ( 2.461 -0.037 -2.325) 3.386 5.505 ( -3.868 -0.595 -2.813) 4.820 5.641 ( 0.713 -0.594 2.938) 3.082 6.883 ( -2.612 -1.695 -3.724) 4.854 7.076 ( 3.787 -0.332 0.143) 3.805 8.596 ( -0.399 0.405 -0.978) 1.131 8.634 ( 0.441 0.426 0.512) 0.799 10.217 ( -1.317 1.516 -2.079) 2.891 10.296 ( 0.997 -1.910 0.791) 2.295 10.387 ( -1.805 0.229 1.688) 2.482 10.423 ( -2.118 1.111 0.493) 2.442 10.964 ( -1.231 -1.117 1.428) 2.192 11.120 ( 1.998 -1.647 2.487) 3.590 13.034 ( -0.686 -0.400 -0.533) 0.956 13.057 ( -0.262 -0.595 -0.491) 0.815 ======================= Grid point 158 (76/116) ======================= q-point: (-0.57 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -3.760 -1.075 -0.206) 3.916 1.190 ( -1.263 -0.424 13.333) 13.399 1.249 ( -8.169 -8.189 3.594) 12.112 1.429 ( 2.339 1.384 3.153) 4.163 1.506 ( 4.237 -5.288 2.163) 7.113 1.559 ( 4.316 0.880 2.115) 4.886 1.640 ( 3.097 -2.448 1.583) 4.253 1.675 ( 0.928 0.118 -0.304) 0.983 1.938 ( 9.128 1.781 2.886) 9.738 2.004 ( -0.941 -0.263 -0.486) 1.091 2.037 ( 1.714 -0.272 -0.333) 1.767 2.103 ( 1.183 -0.227 1.536) 1.952 2.198 ( 0.052 -6.474 1.663) 6.684 2.341 ( 1.598 -2.606 2.867) 4.191 2.369 ( 0.060 3.753 2.083) 4.293 2.405 ( 2.210 3.508 -2.490) 4.836 2.530 ( -0.797 5.133 -0.919) 5.275 2.628 ( -6.458 4.225 2.232) 8.033 2.715 ( -0.741 1.508 -4.108) 4.438 2.770 ( 5.345 -4.364 0.758) 6.942 2.917 ( -4.919 1.571 -11.943) 13.011 3.049 ( -6.997 2.703 -4.752) 8.879 3.148 ( -2.166 -0.955 -4.376) 4.975 3.275 ( 2.382 -1.053 -0.819) 2.731 3.390 ( -0.159 1.509 -3.337) 3.666 3.702 ( 0.636 -1.202 5.463) 5.630 3.728 ( 2.186 0.031 4.839) 5.310 3.786 ( 1.486 -0.134 -0.678) 1.639 3.879 ( 3.445 1.369 -1.947) 4.187 3.924 ( 0.970 -0.970 -1.406) 1.964 4.034 ( 0.238 -1.095 2.175) 2.447 4.091 ( -1.294 -1.306 1.162) 2.175 4.102 ( -0.121 -3.224 -0.843) 3.334 4.132 ( 1.515 0.724 2.085) 2.677 4.227 ( -0.606 0.470 -1.067) 1.314 4.255 ( 1.363 1.333 -1.361) 2.343 4.432 ( 0.472 -0.319 -1.056) 1.200 4.540 ( -0.041 0.513 3.660) 3.696 4.944 ( 1.274 0.513 -2.294) 2.674 4.966 ( 1.857 -0.336 -1.314) 2.299 5.427 ( -3.301 -0.278 -2.295) 4.030 5.680 ( 0.542 -0.563 2.180) 2.316 6.820 ( -2.669 -1.159 -3.076) 4.234 7.126 ( 2.239 0.094 0.214) 2.251 8.581 ( 0.082 0.314 -1.005) 1.056 8.642 ( 0.352 0.300 0.566) 0.731 10.149 ( -1.291 3.066 -2.223) 4.001 10.337 ( -0.143 -2.752 0.891) 2.896 10.372 ( -1.518 0.328 0.972) 1.832 10.406 ( 0.006 0.456 1.055) 1.149 10.971 ( -0.188 -0.523 0.853) 1.018 11.175 ( 0.244 -0.532 3.033) 3.089 13.025 ( -0.281 -0.153 -0.288) 0.431 13.048 ( -0.503 -0.366 -0.820) 1.029 ======================= Grid point 159 (77/116) ======================= q-point: (-0.43 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -8.026 -1.824 3.532) 8.956 1.180 ( -11.468 -2.941 5.658) 13.122 1.308 ( 0.523 2.528 11.414) 11.702 1.453 ( -0.854 3.970 5.243) 6.632 1.591 ( -1.087 2.325 1.327) 2.889 1.632 ( 3.174 -0.160 -1.346) 3.451 1.705 ( 2.667 -0.731 -1.467) 3.130 1.748 ( 7.330 -6.197 0.451) 9.609 1.942 ( -1.312 -1.378 -1.039) 2.167 2.007 ( -8.940 2.272 4.335) 10.192 2.055 ( 0.783 4.236 3.552) 5.583 2.176 ( -2.940 2.903 4.876) 6.391 2.218 ( 1.002 3.150 5.541) 6.452 2.274 ( 1.052 -3.028 -2.043) 3.801 2.360 ( -2.165 -1.117 1.586) 2.907 2.433 ( 1.182 -0.819 -9.985) 10.088 2.492 ( -2.687 0.960 0.168) 2.859 2.610 ( 5.192 -1.878 5.079) 7.502 2.648 ( -0.337 -0.987 -5.726) 5.820 2.761 ( 0.169 4.679 -3.158) 5.648 2.845 ( -2.908 -0.553 -8.811) 9.295 2.972 ( 6.156 -2.645 -5.153) 8.453 3.084 ( 1.880 -0.298 0.701) 2.028 3.301 ( 0.524 -0.457 -3.060) 3.138 3.350 ( -0.099 -0.126 -2.943) 2.948 3.741 ( -0.361 -1.057 1.967) 2.262 3.784 ( -1.240 -0.341 1.253) 1.795 3.812 ( -2.109 -1.779 -1.497) 3.139 3.858 ( 0.946 2.424 1.827) 3.179 3.947 ( 3.118 0.049 -1.303) 3.379 4.049 ( -1.204 1.011 -1.385) 2.095 4.086 ( -1.787 -1.601 2.014) 3.133 4.114 ( -1.150 -0.960 2.841) 3.212 4.170 ( 1.250 -0.265 1.036) 1.645 4.195 ( -0.479 0.302 -2.408) 2.473 4.262 ( 3.535 2.738 -2.082) 4.932 4.432 ( 0.877 0.459 -1.010) 1.414 4.583 ( 0.858 -2.425 2.913) 3.886 4.921 ( -0.653 0.638 -2.261) 2.438 4.964 ( -0.855 0.513 -1.209) 1.567 5.384 ( -0.394 0.037 -0.368) 0.540 5.707 ( 0.541 -0.172 0.996) 1.146 6.772 ( -1.633 0.019 -0.675) 1.767 7.139 ( 0.135 1.038 -0.290) 1.086 8.576 ( 0.663 0.040 -0.854) 1.082 8.649 ( 0.145 0.060 0.324) 0.360 10.107 ( 0.041 1.336 -0.389) 1.392 10.345 ( -1.116 -0.348 0.119) 1.175 10.372 ( 0.172 -0.981 1.361) 1.686 10.423 ( 1.440 0.980 0.546) 1.825 10.982 ( 0.566 -0.130 0.274) 0.642 11.185 ( -2.353 1.137 2.699) 3.757 13.024 ( 0.363 0.225 0.150) 0.452 13.035 ( -0.251 0.079 -0.718) 0.764 ======================= Grid point 160 (78/116) ======================= q-point: (-0.29 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -15.346 -1.757 8.303) 17.536 1.108 ( -5.609 2.915 4.850) 7.968 1.369 ( 1.124 2.588 2.720) 3.919 1.444 ( -4.129 4.580 4.230) 7.478 1.493 ( -9.636 3.408 -1.731) 10.366 1.596 ( -1.362 5.032 -2.875) 5.953 1.661 ( -6.190 5.935 6.917) 11.017 1.776 ( -6.335 4.340 0.141) 7.680 1.917 ( -3.613 5.089 1.194) 6.354 1.960 ( 5.784 -8.613 -0.529) 10.388 2.043 ( 5.393 0.165 -6.731) 8.627 2.221 ( 3.784 -1.613 -2.449) 4.787 2.246 ( 1.560 -1.980 -2.753) 3.733 2.289 ( -3.587 -4.213 -4.668) 7.239 2.347 ( -3.808 -2.412 1.267) 4.683 2.412 ( 2.091 -2.999 4.428) 5.742 2.498 ( 1.223 -0.438 5.229) 5.388 2.563 ( -4.615 1.714 -8.339) 9.684 2.693 ( -2.038 0.270 -4.464) 4.915 2.753 ( 6.243 -0.850 3.256) 7.092 2.857 ( 7.239 -1.952 4.761) 8.881 3.001 ( 5.203 1.794 -2.218) 5.934 3.186 ( 3.249 -1.466 0.491) 3.598 3.230 ( -4.037 1.995 -1.964) 4.913 3.371 ( 4.206 -2.913 -1.986) 5.488 3.690 ( -4.438 1.686 -1.615) 5.015 3.731 ( -5.264 -0.828 0.758) 5.383 3.809 ( 1.659 -1.543 0.115) 2.268 3.874 ( -1.094 0.575 -1.834) 2.212 3.962 ( -3.216 0.542 0.492) 3.298 3.993 ( 0.982 0.406 -2.032) 2.293 4.083 ( -0.784 0.504 0.407) 1.017 4.134 ( -0.096 0.755 0.115) 0.770 4.159 ( -0.713 -1.039 1.308) 1.817 4.216 ( 1.326 -0.814 1.350) 2.059 4.259 ( 3.382 4.179 -3.855) 6.616 4.430 ( 0.795 0.833 -0.854) 1.434 4.639 ( 0.068 -4.093 -1.256) 4.282 4.889 ( -1.215 -0.118 0.315) 1.261 4.918 ( -1.873 1.472 -0.585) 2.453 5.407 ( 2.269 0.149 1.714) 2.847 5.714 ( -0.023 0.294 -0.480) 0.563 6.769 ( 1.035 0.872 2.279) 2.650 7.109 ( -1.554 1.645 -1.115) 2.522 8.583 ( 1.082 -0.221 -0.574) 1.245 8.650 ( -0.162 -0.121 -0.077) 0.216 10.122 ( 1.046 -0.872 1.851) 2.298 10.323 ( -1.205 1.395 0.143) 1.848 10.410 ( 1.891 -1.591 0.609) 2.546 10.434 ( 1.163 1.594 -0.411) 2.016 10.994 ( 0.883 -0.001 -0.169) 0.899 11.140 ( -4.520 2.429 1.886) 5.467 13.028 ( 0.280 0.434 -0.317) 0.605 13.034 ( 0.746 0.428 0.498) 0.994 ======================= Grid point 161 (79/116) ======================= q-point: (-0.14 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( -11.596 -1.119 11.037) 16.048 0.964 ( -13.219 12.397 7.454) 19.596 1.250 ( -11.323 0.362 -0.103) 11.330 1.309 ( -9.182 5.270 1.620) 10.710 1.429 ( 3.011 0.414 -1.676) 3.471 1.457 ( -0.618 3.960 -4.538) 6.055 1.691 ( 1.923 1.889 -3.574) 4.477 1.742 ( 3.916 1.025 8.854) 9.735 1.852 ( -1.844 0.433 -7.101) 7.349 1.939 ( 4.770 0.375 -21.545) 22.070 2.102 ( 2.433 -1.478 6.583) 7.172 2.183 ( -5.055 -4.655 -5.315) 8.688 2.245 ( 3.912 -2.887 -4.357) 6.529 2.283 ( -5.166 -0.248 0.403) 5.187 2.316 ( -5.980 2.426 -7.934) 10.227 2.447 ( -1.931 -5.900 5.314) 8.172 2.474 ( 0.976 -2.975 3.227) 4.497 2.589 ( 0.828 1.962 5.902) 6.274 2.647 ( 2.515 3.081 -2.175) 4.533 2.847 ( 0.697 0.870 -0.114) 1.121 3.032 ( 4.917 -1.421 7.252) 8.877 3.059 ( 3.749 -0.707 1.057) 3.959 3.190 ( -1.600 0.414 3.443) 3.820 3.225 ( 5.518 1.155 4.404) 7.154 3.456 ( 4.273 -2.749 0.438) 5.100 3.649 ( -0.786 -0.077 1.261) 1.488 3.669 ( -3.954 0.565 1.383) 4.227 3.732 ( -6.426 1.625 -8.578) 10.840 3.850 ( -0.073 -1.920 -0.139) 1.927 3.916 ( -3.640 -0.621 0.131) 3.695 4.000 ( 2.595 0.887 -2.483) 3.700 4.072 ( -0.652 0.769 0.970) 1.399 4.120 ( 0.545 -1.568 -2.871) 3.316 4.190 ( -0.256 -0.041 3.816) 3.825 4.220 ( 1.720 3.827 -5.364) 6.810 4.249 ( 1.077 -0.304 0.666) 1.302 4.430 ( 0.798 0.505 -0.395) 1.024 4.602 ( -3.925 -1.411 -3.416) 5.392 4.871 ( -0.901 0.421 0.359) 1.058 4.925 ( 1.976 -0.801 0.131) 2.136 5.468 ( 2.699 0.216 2.811) 3.902 5.691 ( -1.173 0.380 -1.617) 2.034 6.832 ( 4.407 0.509 2.739) 5.213 7.053 ( -2.171 1.199 -1.822) 3.078 8.598 ( 1.140 -0.244 -0.266) 1.196 8.645 ( -0.417 -0.150 -0.403) 0.599 10.171 ( 0.701 -1.192 2.769) 3.095 10.291 ( -0.215 2.136 -1.040) 2.385 10.427 ( -1.116 0.334 0.969) 1.515 10.457 ( 1.986 -1.173 0.145) 2.311 11.006 ( 0.800 -0.224 -0.226) 0.861 11.058 ( -5.063 2.514 1.317) 5.805 13.031 ( 0.662 0.404 0.139) 0.788 13.046 ( 0.586 0.327 0.437) 0.801 ======================= Grid point 163 (80/116) ======================= q-point: ( 0.14 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -1.757 -0.000 6.496) 6.729 1.133 ( 1.774 0.000 -1.140) 2.109 1.253 ( -9.204 -0.000 -2.393) 9.510 1.311 ( 3.977 0.000 4.660) 6.126 1.417 ( 10.657 0.000 3.682) 11.275 1.441 ( 7.058 0.000 -0.008) 7.058 1.537 ( 6.624 0.000 -3.379) 7.436 1.634 ( 9.784 0.000 1.602) 9.914 1.731 ( -5.706 -0.000 -1.328) 5.858 1.808 ( 11.883 0.000 -1.202) 11.944 2.066 ( 1.464 0.000 2.814) 3.172 2.126 ( -3.043 -0.000 2.478) 3.924 2.175 ( 0.824 0.000 0.510) 0.969 2.237 ( -6.223 -0.000 0.478) 6.242 2.418 ( 5.833 0.000 -1.758) 6.092 2.516 ( -2.396 -0.000 1.259) 2.706 2.534 ( 4.017 0.000 1.356) 4.240 2.673 ( -0.285 -0.000 -1.989) 2.009 2.721 ( -2.638 -0.000 -4.720) 5.408 2.828 ( 2.801 0.000 4.957) 5.694 3.043 ( -2.949 -0.000 5.679) 6.399 3.115 ( -6.978 -0.000 -8.353) 10.884 3.285 ( -5.418 -0.000 -2.248) 5.866 3.358 ( -4.749 -0.000 -5.054) 6.935 3.465 ( -1.367 -0.000 -0.126) 1.373 3.542 ( 2.394 0.000 5.094) 5.629 3.719 ( 4.310 0.000 0.101) 4.311 3.766 ( 1.196 0.000 0.900) 1.496 3.833 ( 6.035 0.000 -0.907) 6.103 3.915 ( -0.162 -0.000 -2.616) 2.621 3.991 ( 1.916 0.000 -0.014) 1.916 4.054 ( -2.004 -0.000 0.633) 2.102 4.062 ( -1.159 -0.000 0.925) 1.483 4.101 ( 2.070 0.000 1.424) 2.513 4.241 ( -0.146 -0.000 0.370) 0.398 4.270 ( 0.408 0.000 -0.879) 0.970 4.433 ( -0.223 -0.000 -1.420) 1.438 4.515 ( 0.545 0.000 3.899) 3.937 4.943 ( 1.986 0.000 -0.618) 2.080 4.946 ( 2.526 0.000 -3.144) 4.033 5.500 ( -3.698 -0.000 -2.798) 4.637 5.635 ( 0.769 0.000 2.923) 3.022 6.868 ( -2.410 -0.000 -3.366) 4.140 7.073 ( 4.242 0.000 -0.422) 4.262 8.600 ( -0.487 -0.000 -0.971) 1.086 8.637 ( 0.370 0.000 0.463) 0.593 10.222 ( -0.365 -0.000 2.141) 2.171 10.290 ( 0.709 0.000 -3.392) 3.465 10.389 ( -2.110 -0.000 1.988) 2.899 10.431 ( -2.740 -0.000 0.117) 2.742 10.956 ( -0.629 -0.000 1.862) 1.965 11.104 ( 2.535 0.000 2.353) 3.459 13.031 ( -0.532 -0.000 -0.568) 0.778 13.051 ( -0.118 -0.000 -0.456) 0.471 ======================= Grid point 164 (81/116) ======================= q-point: (-0.71 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -7.104 -2.100 4.345) 8.588 1.128 ( -2.268 -2.721 3.502) 4.981 1.210 ( 0.043 0.400 12.764) 12.770 1.392 ( -1.784 -2.701 4.011) 5.154 1.505 ( 3.360 2.807 2.682) 5.134 1.575 ( 4.754 -2.165 4.008) 6.584 1.611 ( 8.645 1.110 -3.893) 9.546 1.692 ( 1.847 1.194 0.670) 2.299 1.929 ( 17.599 -1.567 3.981) 18.111 2.000 ( 7.666 -1.348 -0.607) 7.807 2.035 ( -4.436 0.461 -1.869) 4.836 2.071 ( -3.720 -2.657 1.004) 4.680 2.171 ( 0.548 3.926 3.965) 5.607 2.264 ( 1.494 -5.711 3.929) 7.091 2.447 ( -2.791 2.225 -1.450) 3.853 2.461 ( -0.642 4.193 0.795) 4.316 2.595 ( -2.029 3.036 -1.682) 4.020 2.663 ( 1.459 -0.020 -2.954) 3.295 2.676 ( 5.563 -4.571 -0.386) 7.211 2.767 ( -7.129 2.113 -3.472) 8.206 2.937 ( -3.685 0.700 -9.527) 10.239 3.071 ( -4.136 -0.098 -5.663) 7.013 3.160 ( -5.433 2.006 -0.537) 5.817 3.265 ( 2.467 -0.429 -1.736) 3.047 3.412 ( -1.888 0.932 -4.047) 4.561 3.642 ( 0.582 -3.187 6.514) 7.275 3.769 ( 1.941 2.343 1.812) 3.541 3.789 ( 2.172 0.369 -1.268) 2.542 3.888 ( -1.019 -0.780 0.988) 1.620 3.916 ( 5.958 0.481 -2.404) 6.443 4.012 ( -1.301 -0.789 2.665) 3.069 4.044 ( -2.007 -2.788 1.999) 3.975 4.075 ( 1.654 -0.632 -1.399) 2.256 4.145 ( 1.891 0.459 1.286) 2.332 4.237 ( -0.001 0.496 -0.592) 0.773 4.268 ( 0.688 0.286 -0.680) 1.009 4.427 ( 1.017 -0.187 -1.248) 1.621 4.551 ( -0.801 0.555 3.992) 4.109 4.952 ( 1.113 0.377 -1.920) 2.252 4.962 ( 2.455 -0.178 -1.892) 3.105 5.424 ( -2.957 -0.106 -2.197) 3.685 5.672 ( 0.683 -0.268 2.265) 2.381 6.807 ( -1.950 -0.379 -2.427) 3.137 7.126 ( 3.162 -0.041 -0.463) 3.196 8.584 ( -0.142 0.095 -1.070) 1.083 8.646 ( 0.203 0.122 0.461) 0.518 10.211 ( -0.731 4.231 -1.075) 4.426 10.282 ( -0.299 -3.905 0.376) 3.935 10.380 ( -0.860 0.596 0.433) 1.133 10.399 ( -1.481 -0.917 0.354) 1.777 10.971 ( 0.745 0.285 1.186) 1.429 11.167 ( 1.578 -0.387 3.037) 3.445 13.023 ( 0.036 -0.067 -0.273) 0.284 13.043 ( -0.163 -0.153 -0.793) 0.824 ======================= Grid point 165 (82/116) ======================= q-point: (-0.57 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -4.487 1.817 5.017) 6.971 1.149 ( -4.626 -1.419 4.563) 6.651 1.351 ( -0.310 2.079 15.624) 15.765 1.464 ( 2.224 -5.510 3.468) 6.880 1.554 ( 2.320 -0.682 3.250) 4.051 1.668 ( 1.728 3.286 3.064) 4.814 1.708 ( 7.609 1.129 -1.965) 7.940 1.727 ( 0.729 1.297 0.663) 1.629 1.925 ( -1.628 -0.576 0.009) 1.727 1.996 ( -2.567 -1.621 2.230) 3.767 2.135 ( 2.343 3.090 0.183) 3.882 2.166 ( 2.398 -2.582 -1.663) 3.897 2.226 ( 5.721 0.205 5.953) 8.259 2.273 ( -7.282 0.641 -1.586) 7.480 2.385 ( -2.025 2.659 3.008) 4.496 2.452 ( 0.875 1.949 -6.981) 7.301 2.526 ( -3.807 3.389 1.626) 5.350 2.570 ( -1.527 -2.148 0.797) 2.754 2.623 ( -2.820 -2.054 -6.880) 7.714 2.785 ( -1.745 -2.593 2.462) 3.979 2.844 ( -3.971 1.551 -12.197) 12.920 2.943 ( 9.889 -0.550 -6.195) 11.682 3.093 ( -0.067 1.085 0.493) 1.194 3.306 ( 1.223 1.161 -2.653) 3.144 3.345 ( -1.090 -0.428 -2.501) 2.762 3.710 ( -1.843 -3.945 2.689) 5.117 3.779 ( -1.041 0.839 2.178) 2.555 3.797 ( 0.325 0.238 -2.549) 2.581 3.881 ( -1.941 0.263 2.372) 3.077 3.963 ( 4.525 1.775 -1.871) 5.209 4.051 ( 1.018 -1.478 2.598) 3.157 4.064 ( -1.125 -0.075 -1.264) 1.694 4.077 ( -0.712 -3.033 2.916) 4.267 4.171 ( 1.116 0.303 0.193) 1.172 4.214 ( -0.162 1.875 -1.763) 2.579 4.280 ( 2.040 -0.490 -1.191) 2.413 4.439 ( 2.067 0.288 -1.221) 2.418 4.560 ( -1.688 -0.290 2.639) 3.146 4.933 ( -0.364 0.677 -2.223) 2.352 4.972 ( 0.431 0.372 -1.187) 1.316 5.385 ( -0.260 0.050 -0.322) 0.417 5.703 ( 0.822 -0.220 1.244) 1.507 6.775 ( -0.579 0.309 -0.125) 0.668 7.153 ( 1.340 0.569 -0.763) 1.644 8.575 ( 0.364 -0.078 -0.994) 1.062 8.650 ( -0.013 0.033 0.186) 0.189 10.153 ( 0.382 4.224 -1.553) 4.517 10.318 ( -0.597 -3.125 1.508) 3.521 10.365 ( -1.074 0.257 1.288) 1.696 10.412 ( 1.246 -1.895 -0.700) 2.374 10.992 ( 1.646 1.055 0.400) 1.995 11.201 ( -0.760 0.707 2.648) 2.845 13.028 ( 0.704 0.190 0.211) 0.759 13.036 ( 0.225 0.070 -0.695) 0.733 ======================= Grid point 166 (83/116) ======================= q-point: (-0.43 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -5.383 8.026 8.171) 12.656 1.131 ( -2.266 0.484 3.797) 4.448 1.420 ( -1.677 3.023 5.272) 6.304 1.507 ( -1.630 4.368 0.756) 4.724 1.589 ( -4.069 5.986 4.606) 8.580 1.660 ( 0.274 2.840 -2.654) 3.897 1.739 ( 2.701 -1.352 -1.549) 3.394 1.780 ( 3.913 -6.511 0.415) 7.608 1.907 ( -3.398 9.741 1.547) 10.432 1.996 ( -1.384 0.702 -1.223) 1.976 2.102 ( -1.444 6.619 -3.100) 7.450 2.156 ( -1.287 -5.558 8.412) 10.164 2.177 ( -3.903 -3.469 -4.472) 6.876 2.264 ( -2.473 1.512 -11.897) 12.245 2.320 ( -2.023 -0.830 1.125) 2.459 2.354 ( -0.819 -3.838 -0.222) 3.931 2.498 ( -0.148 0.050 4.553) 4.555 2.583 ( -3.211 1.101 -7.070) 7.843 2.668 ( -0.998 -3.433 -0.528) 3.614 2.730 ( 6.100 -1.634 3.261) 7.108 2.810 ( 2.031 -3.725 4.124) 5.917 3.044 ( 7.111 3.110 -2.584) 8.180 3.165 ( 5.977 -0.922 0.531) 6.071 3.269 ( -1.640 2.062 -2.313) 3.506 3.316 ( 0.609 -2.772 -1.689) 3.303 3.703 ( -4.558 -2.418 -0.430) 5.178 3.730 ( -2.801 2.573 -0.357) 3.820 3.781 ( -1.188 -1.884 0.908) 2.406 3.868 ( -2.439 -0.918 -0.924) 2.765 3.980 ( -1.579 1.694 -2.565) 3.456 4.010 ( 0.680 1.191 -0.524) 1.468 4.094 ( 0.848 0.421 0.840) 1.266 4.134 ( 0.292 -1.536 4.354) 4.627 4.153 ( -0.510 1.099 -3.168) 3.392 4.207 ( 1.221 0.180 1.083) 1.642 4.300 ( 2.535 0.093 -3.231) 4.107 4.451 ( 1.874 1.584 -1.298) 2.776 4.569 ( -1.355 -3.438 0.490) 3.728 4.895 ( -1.439 0.805 -0.743) 1.809 4.945 ( -1.123 1.578 -0.787) 2.091 5.410 ( 2.332 0.176 1.918) 3.024 5.719 ( 0.374 0.280 -0.182) 0.501 6.787 ( 1.557 1.164 2.411) 3.097 7.139 ( -0.514 1.728 -1.448) 2.312 8.578 ( 0.812 -0.391 -0.723) 1.156 8.648 ( -0.283 -0.176 -0.242) 0.412 10.135 ( 1.762 2.557 0.293) 3.119 10.335 ( -0.705 -0.359 0.877) 1.181 10.378 ( 0.263 -1.777 1.639) 2.431 10.437 ( 1.263 -1.377 -1.653) 2.494 11.009 ( 1.916 1.650 -0.145) 2.533 11.180 ( -3.151 2.237 1.695) 4.219 13.036 ( 0.726 0.537 -0.298) 0.951 13.042 ( 0.962 0.544 0.577) 1.247 ======================= Grid point 167 (84/116) ======================= q-point: (-0.29 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -1.633 12.519 9.325) 15.695 1.124 ( -2.708 4.719 3.735) 6.599 1.325 ( -8.319 7.605 -0.592) 11.287 1.419 ( -6.437 6.271 -0.910) 9.033 1.456 ( -2.701 5.993 1.871) 6.834 1.579 ( -3.087 8.826 -6.113) 11.171 1.719 ( -0.183 1.082 2.202) 2.460 1.780 ( 2.274 2.821 -3.889) 5.315 1.878 ( -0.178 2.702 -5.001) 5.687 1.956 ( 4.411 1.800 -15.344) 16.067 2.050 ( 4.056 -3.954 5.391) 7.820 2.081 ( -6.659 -6.396 -6.239) 11.144 2.212 ( 1.866 -0.998 -3.334) 3.949 2.245 ( -3.562 -4.302 -1.357) 5.748 2.340 ( -0.240 -4.998 10.320) 11.469 2.350 ( -6.408 1.061 -2.648) 7.015 2.412 ( 0.025 -3.712 -2.845) 4.677 2.604 ( 1.042 -0.879 3.977) 4.204 2.685 ( -0.698 0.636 3.078) 3.220 2.875 ( 5.399 1.887 -0.027) 5.720 2.963 ( 4.205 -5.816 7.316) 10.248 3.075 ( 2.165 2.244 2.395) 3.931 3.206 ( -1.506 1.240 2.634) 3.278 3.247 ( 4.146 1.256 2.180) 4.849 3.388 ( 4.392 -4.777 -0.851) 6.544 3.644 ( -4.084 -0.583 2.027) 4.596 3.692 ( -0.682 2.111 0.256) 2.233 3.764 ( -5.982 1.169 -6.992) 9.276 3.800 ( 0.303 -3.285 -0.692) 3.371 3.897 ( -4.826 -1.324 -0.219) 5.009 4.023 ( 2.173 1.571 -2.018) 3.356 4.094 ( -0.186 1.744 0.831) 1.941 4.104 ( -0.251 -0.340 -3.731) 3.755 4.189 ( 0.362 0.022 3.843) 3.861 4.242 ( 1.497 -0.331 0.859) 1.757 4.281 ( 1.273 2.164 -4.942) 5.544 4.447 ( 0.980 1.694 -0.734) 2.090 4.561 ( -2.735 -3.028 -1.916) 4.508 4.876 ( -0.589 0.037 0.555) 0.810 4.922 ( 0.698 0.906 -0.331) 1.191 5.473 ( 2.727 0.407 3.105) 4.153 5.702 ( -0.908 0.863 -1.488) 1.945 6.846 ( 3.780 1.144 3.130) 5.039 7.087 ( -1.565 2.551 -2.171) 3.697 8.591 ( 1.000 -0.620 -0.352) 1.228 8.640 ( -0.479 -0.373 -0.561) 0.827 10.165 ( 2.201 0.858 1.980) 3.083 10.325 ( -0.608 1.384 -0.015) 1.512 10.420 ( 0.052 -2.756 1.042) 2.947 10.433 ( 0.053 -0.160 -1.331) 1.342 11.020 ( 1.570 1.907 -0.018) 2.470 11.110 ( -4.387 3.288 0.893) 5.555 13.042 ( 0.882 0.905 0.152) 1.273 13.055 ( 0.671 0.735 0.502) 1.115 ======================= Grid point 168 (85/116) ======================= q-point: (-0.14 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 5.735 11.727 7.983) 15.301 1.009 ( -3.410 14.246 6.716) 16.115 1.193 ( 1.552 6.227 -1.550) 6.602 1.237 ( -7.055 7.216 -0.912) 10.133 1.422 ( -2.348 0.161 -1.234) 2.657 1.447 ( 0.247 1.689 -3.959) 4.312 1.688 ( 1.976 2.271 -9.194) 9.674 1.724 ( 0.899 2.498 -9.153) 9.531 1.852 ( 5.241 -2.000 -6.102) 8.288 1.885 ( -5.946 -2.520 -9.676) 11.633 1.975 ( 2.702 2.098 0.078) 3.421 2.117 ( -5.583 4.005 -5.438) 8.763 2.181 ( -1.272 -5.370 2.726) 6.155 2.255 ( 1.878 -4.709 -0.275) 5.077 2.306 ( 0.957 -1.503 5.833) 6.099 2.423 ( -0.055 -3.220 -1.283) 3.466 2.503 ( -0.822 -3.072 12.133) 12.542 2.611 ( -2.009 1.181 0.906) 2.501 2.695 ( 0.995 2.225 -0.528) 2.494 2.837 ( -1.708 2.249 -1.305) 3.111 3.082 ( -2.051 -2.105 5.325) 6.082 3.195 ( 6.694 0.579 5.548) 8.713 3.249 ( 3.048 -1.730 5.356) 6.401 3.366 ( 3.059 -1.485 6.720) 7.531 3.461 ( -0.185 -3.567 -1.733) 3.969 3.562 ( -6.744 1.792 -3.656) 7.878 3.631 ( -1.095 -0.099 0.844) 1.386 3.698 ( 3.202 1.301 -0.755) 3.537 3.821 ( -1.339 -2.399 -1.140) 2.974 3.842 ( -0.841 -1.215 -2.802) 3.167 4.017 ( 1.529 -0.151 -2.487) 2.923 4.072 ( -0.712 -0.612 -1.794) 2.025 4.092 ( -0.198 0.812 0.536) 0.993 4.207 ( -0.837 3.722 -5.163) 6.420 4.222 ( 0.196 0.680 2.261) 2.369 4.265 ( 0.863 0.039 -0.178) 0.882 4.448 ( 0.777 0.763 0.487) 1.193 4.510 ( -2.957 -0.697 -1.849) 3.556 4.883 ( 1.132 0.392 0.532) 1.310 4.935 ( 1.810 -0.907 -1.946) 2.808 5.537 ( 2.021 0.502 3.423) 4.007 5.653 ( -2.187 0.905 -2.208) 3.237 6.930 ( 4.833 0.520 1.606) 5.120 7.016 ( -1.896 2.349 -2.730) 4.070 8.609 ( 0.879 -0.583 0.002) 1.054 8.629 ( -0.584 -0.414 -0.713) 1.011 10.212 ( 1.832 1.045 2.172) 3.027 10.292 ( -0.430 1.481 -1.855) 2.412 10.410 ( -2.555 -0.728 2.346) 3.545 10.459 ( 0.146 -2.372 0.086) 2.378 11.013 ( -2.819 2.768 1.553) 4.245 11.042 ( 0.270 2.124 -0.035) 2.141 13.049 ( 0.649 0.820 0.318) 1.093 13.058 ( 0.033 0.688 0.054) 0.691 ======================= Grid point 171 (86/116) ======================= q-point: ( 0.29 -0.71 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 0.954 0.000 6.576) 6.645 1.126 ( -1.093 -0.000 2.966) 3.161 1.370 ( -0.180 -0.000 15.033) 15.034 1.381 ( -0.798 -0.000 5.097) 5.159 1.577 ( 1.088 0.000 3.387) 3.557 1.681 ( 1.934 0.000 8.940) 9.147 1.731 ( 9.962 0.000 -3.693) 10.624 1.737 ( -0.584 -0.000 0.847) 1.029 1.925 ( -5.137 -0.000 1.036) 5.241 1.978 ( 0.070 0.000 -1.746) 1.748 2.143 ( 7.808 0.000 -1.531) 7.957 2.158 ( 5.613 0.000 -1.446) 5.796 2.222 ( -6.375 -0.000 -1.464) 6.541 2.278 ( 2.668 0.000 4.173) 4.953 2.426 ( 0.354 0.000 6.079) 6.089 2.467 ( -4.371 -0.000 -2.302) 4.940 2.530 ( 3.045 0.000 1.419) 3.359 2.575 ( -3.624 -0.000 -11.357) 11.921 2.607 ( -9.879 -0.000 -3.089) 10.351 2.751 ( -0.296 -0.000 4.056) 4.067 2.861 ( -7.454 -0.000 -14.533) 16.333 2.940 ( 11.840 0.000 -4.623) 12.711 3.106 ( -1.278 -0.000 0.948) 1.592 3.330 ( 2.903 0.000 -0.008) 2.903 3.333 ( -2.590 -0.000 -4.747) 5.407 3.664 ( -2.284 -0.000 3.493) 4.173 3.785 ( -1.870 -0.000 -0.160) 1.877 3.808 ( 1.153 0.000 -1.241) 1.694 3.881 ( -2.275 -0.000 2.833) 3.633 3.990 ( 5.439 0.000 -2.240) 5.882 4.031 ( -0.913 -0.000 3.261) 3.387 4.040 ( 1.527 0.000 4.352) 4.612 4.067 ( -0.250 -0.000 -2.480) 2.493 4.174 ( 0.983 0.000 -0.525) 1.114 4.240 ( 1.294 0.000 -1.338) 1.862 4.265 ( -0.355 -0.000 -0.650) 0.740 4.441 ( 2.424 0.000 -1.195) 2.702 4.561 ( -2.191 -0.000 2.385) 3.239 4.939 ( -0.275 -0.000 -2.159) 2.177 4.975 ( 0.978 0.000 -1.168) 1.523 5.385 ( -0.205 -0.000 -0.303) 0.366 5.701 ( 0.941 0.000 1.352) 1.647 6.778 ( -0.154 -0.000 0.059) 0.165 7.158 ( 1.893 0.000 -0.997) 2.140 8.574 ( 0.239 0.000 -1.068) 1.095 8.650 ( -0.079 -0.000 0.119) 0.142 10.220 ( 0.907 0.000 -3.343) 3.464 10.261 ( -1.215 -0.000 3.663) 3.859 10.372 ( -1.503 -0.000 1.231) 1.943 10.389 ( 1.505 0.000 -1.322) 2.003 11.003 ( 2.023 0.000 0.390) 2.061 11.207 ( -0.101 -0.000 2.714) 2.716 13.029 ( 0.851 0.000 0.260) 0.890 13.037 ( 0.438 0.000 -0.708) 0.833 ======================= Grid point 173 (87/116) ======================= q-point: (-0.57 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -0.578 0.343 2.861) 2.939 1.159 ( 4.166 9.740 6.372) 12.362 1.456 ( -1.046 1.232 5.680) 5.905 1.516 ( 6.488 -8.541 3.940) 11.427 1.608 ( -1.837 1.492 0.654) 2.455 1.680 ( -2.853 3.115 4.735) 6.345 1.693 ( -3.291 0.688 -2.839) 4.400 1.808 ( 3.501 1.293 -0.367) 3.750 1.989 ( 1.732 0.283 4.856) 5.164 2.032 ( 2.771 -1.667 3.872) 5.044 2.055 ( -7.042 1.248 -1.638) 7.337 2.131 ( -0.276 1.643 -8.309) 8.474 2.178 ( 0.981 -3.117 -8.669) 9.265 2.305 ( -6.085 -0.793 -7.113) 9.395 2.328 ( 0.943 1.233 -0.141) 1.559 2.365 ( -4.787 8.025 0.709) 9.371 2.478 ( -4.151 -2.905 0.960) 5.156 2.591 ( -0.689 -1.128 8.094) 8.201 2.613 ( -5.115 -1.316 -10.274) 11.552 2.711 ( 0.904 -0.370 4.058) 4.174 2.747 ( 4.671 -3.205 5.061) 7.596 3.083 ( 9.566 1.265 -3.124) 10.143 3.156 ( 6.289 -0.246 0.126) 6.295 3.265 ( -0.663 -0.871 -2.673) 2.888 3.319 ( -2.837 1.242 -0.775) 3.192 3.654 ( -3.340 -2.463 1.482) 4.406 3.740 ( -3.579 -0.629 -0.187) 3.638 3.788 ( -1.316 1.542 -0.624) 2.121 3.855 ( -3.157 -0.460 -0.000) 3.190 4.004 ( -3.417 0.736 -3.625) 5.036 4.031 ( 2.512 1.640 -0.189) 3.006 4.077 ( 0.893 -2.192 2.081) 3.152 4.125 ( 3.486 0.360 3.489) 4.946 4.162 ( -0.145 -0.083 -2.943) 2.947 4.228 ( 0.211 2.248 -0.188) 2.266 4.272 ( 0.970 -2.715 -1.873) 3.438 4.469 ( 2.708 0.397 -1.412) 3.080 4.542 ( -1.875 -0.247 0.480) 1.951 4.908 ( -1.317 0.495 -1.177) 1.834 4.964 ( -0.523 0.668 -0.857) 1.206 5.412 ( 2.347 0.079 2.088) 3.143 5.722 ( 0.721 0.095 0.075) 0.731 6.802 ( 1.786 0.532 2.506) 3.123 7.160 ( 0.411 0.688 -1.704) 1.883 8.572 ( 0.632 -0.217 -0.862) 1.091 8.645 ( -0.381 -0.088 -0.395) 0.555 10.197 ( 2.140 4.337 -1.024) 4.944 10.294 ( -1.209 -3.910 2.207) 4.650 10.370 ( -0.581 0.198 1.671) 1.780 10.408 ( 2.201 -1.342 -2.012) 3.270 11.034 ( 2.426 0.961 -0.255) 2.622 11.207 ( -2.443 0.882 1.738) 3.125 13.043 ( 1.069 0.237 -0.292) 1.133 13.049 ( 1.139 0.247 0.652) 1.336 ======================= Grid point 174 (88/116) ======================= q-point: (-0.43 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -0.191 1.670 4.234) 4.555 1.179 ( 5.160 14.731 4.077) 16.132 1.443 ( -1.528 4.071 0.890) 4.438 1.471 ( -4.156 5.492 -4.326) 8.133 1.613 ( -1.318 5.417 -4.179) 6.967 1.655 ( -1.275 0.039 -2.199) 2.542 1.747 ( -0.206 -1.131 3.944) 4.108 1.771 ( -0.419 -0.262 -3.294) 3.331 1.919 ( 2.043 1.641 -6.758) 7.249 1.961 ( -4.395 -3.475 -8.484) 10.167 2.024 ( -1.105 3.859 -3.441) 5.287 2.062 ( -1.159 3.137 -1.223) 3.561 2.165 ( -5.599 -4.499 -2.529) 7.614 2.193 ( 4.144 -1.680 -3.605) 5.744 2.308 ( 0.342 0.314 3.947) 3.974 2.359 ( -3.779 0.712 1.965) 4.319 2.396 ( -2.995 3.982 1.868) 5.322 2.555 ( 0.451 -4.953 0.543) 5.003 2.663 ( -1.480 -3.613 6.240) 7.361 2.824 ( 3.183 -6.885 8.379) 11.302 2.934 ( 7.451 1.676 3.835) 8.546 3.118 ( 0.071 2.215 0.994) 2.429 3.223 ( -0.340 0.869 2.415) 2.589 3.260 ( 0.009 0.237 1.049) 1.075 3.323 ( 7.171 -2.608 -2.192) 7.939 3.631 ( -3.448 -0.882 2.208) 4.188 3.714 ( -1.732 -1.701 1.746) 2.990 3.745 ( -1.669 1.081 -2.103) 2.894 3.789 ( -2.964 -0.037 -5.150) 5.942 3.883 ( -6.435 -0.267 -1.953) 6.730 4.043 ( 1.215 0.909 -2.037) 2.541 4.104 ( -0.694 0.251 -3.716) 3.788 4.113 ( 0.382 0.139 0.549) 0.683 4.198 ( 1.139 1.054 3.020) 3.396 4.239 ( 2.022 -0.130 0.750) 2.160 4.280 ( 0.671 -1.632 -3.186) 3.642 4.478 ( 1.419 1.531 -1.579) 2.618 4.525 ( -1.224 -1.052 -0.673) 1.749 4.880 ( -0.836 0.422 0.202) 0.958 4.943 ( 0.212 1.264 -0.989) 1.619 5.479 ( 2.711 0.299 3.520) 4.453 5.716 ( -0.511 0.683 -1.282) 1.540 6.864 ( 3.139 0.913 3.578) 4.846 7.126 ( -0.673 1.952 -2.555) 3.285 8.580 ( 0.860 -0.568 -0.480) 1.137 8.634 ( -0.564 -0.339 -0.782) 1.022 10.199 ( 2.004 3.174 1.301) 3.973 10.320 ( -0.692 -2.530 0.250) 2.635 10.383 ( -0.461 -0.944 1.951) 2.216 10.426 ( 1.551 -0.607 -2.381) 2.906 11.055 ( 2.182 1.877 -0.167) 2.883 11.156 ( -4.173 2.072 0.925) 4.750 13.056 ( 1.191 0.721 0.141) 1.399 13.067 ( 0.734 0.595 0.618) 1.129 ======================= Grid point 175 (89/116) ======================= q-point: (-0.29 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -0.664 6.390 1.652) 6.634 1.195 ( 6.569 11.516 5.112) 14.209 1.317 ( -1.068 8.335 -3.967) 9.292 1.371 ( -3.722 6.385 -0.826) 7.437 1.471 ( -3.064 7.085 -1.876) 7.943 1.528 ( -3.403 8.172 -6.583) 11.032 1.726 ( 5.146 0.375 -6.232) 8.091 1.746 ( 0.282 1.026 -3.961) 4.102 1.804 ( -8.305 -2.983 -9.012) 12.613 1.889 ( 4.771 3.919 -7.285) 9.550 2.019 ( 3.544 2.409 2.743) 5.088 2.077 ( -0.873 -6.320 1.868) 6.648 2.154 ( 0.575 -5.502 -1.285) 5.680 2.206 ( -1.092 4.481 -3.461) 5.766 2.276 ( -1.268 -1.291 0.468) 1.869 2.339 ( -0.120 -5.826 -3.227) 6.661 2.473 ( 0.146 -1.504 13.770) 13.852 2.611 ( 0.893 -2.182 1.768) 2.947 2.707 ( -1.042 0.950 3.896) 4.143 2.900 ( -1.649 4.012 -3.757) 5.738 3.028 ( -0.611 -4.300 7.930) 9.041 3.185 ( 1.580 -2.379 9.200) 9.633 3.235 ( 1.984 0.765 3.989) 4.520 3.332 ( 1.989 -2.480 2.929) 4.323 3.421 ( 4.558 -1.236 -0.152) 4.725 3.585 ( -8.876 1.020 -3.596) 9.631 3.629 ( -1.436 -0.010 0.198) 1.450 3.720 ( 1.102 1.144 -0.575) 1.689 3.770 ( 1.522 -3.445 -0.734) 3.837 3.817 ( -0.947 -1.464 -3.198) 3.643 4.013 ( -0.284 -0.042 -3.275) 3.287 4.065 ( -0.017 -0.588 -3.121) 3.176 4.117 ( -0.369 1.647 1.590) 2.319 4.220 ( -0.384 -0.144 0.624) 0.746 4.254 ( 0.047 1.034 -2.161) 2.396 4.273 ( 1.713 0.981 -0.674) 2.086 4.467 ( 0.432 1.447 -0.305) 1.541 4.501 ( -1.508 -0.309 -1.203) 1.954 4.885 ( 1.006 -0.145 0.530) 1.146 4.933 ( 1.255 0.646 -1.753) 2.250 5.547 ( 1.921 0.610 3.823) 4.322 5.671 ( -2.041 1.194 -2.196) 3.227 6.942 ( 3.706 0.800 2.848) 4.742 7.062 ( -1.345 2.894 -3.340) 4.619 8.597 ( 0.846 -0.800 -0.043) 1.165 8.621 ( -0.594 -0.583 -0.917) 1.238 10.225 ( 0.911 0.562 2.362) 2.593 10.316 ( 0.044 0.633 -1.921) 2.023 10.397 ( -1.511 -1.010 1.538) 2.381 10.426 ( 0.228 -0.854 -0.589) 1.062 11.063 ( -0.565 2.976 1.113) 3.228 11.082 ( -2.007 2.333 0.346) 3.097 13.066 ( 0.520 1.045 0.317) 1.210 13.071 ( 0.164 0.838 0.136) 0.865 ======================= Grid point 176 (90/116) ======================= q-point: (-0.14 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 0.431 6.103 -0.579) 6.145 1.223 ( -3.328 8.270 1.324) 9.012 1.249 ( 6.409 6.319 -0.683) 9.026 1.316 ( 6.015 5.549 1.878) 8.396 1.388 ( 1.968 2.803 -1.649) 3.802 1.433 ( 2.504 4.465 -1.513) 5.338 1.578 ( -6.904 1.923 -7.496) 10.371 1.702 ( -0.516 3.031 -1.447) 3.398 1.794 ( 8.962 5.536 -3.179) 11.003 1.882 ( -0.330 0.903 -3.729) 3.851 2.007 ( -0.977 4.118 -2.679) 5.009 2.121 ( 4.173 3.000 1.027) 5.241 2.135 ( -1.299 -4.197 1.087) 4.526 2.231 ( 2.014 -6.700 0.191) 6.999 2.312 ( -1.440 -4.109 1.489) 4.601 2.357 ( 1.106 -5.135 -2.632) 5.875 2.588 ( -1.955 -2.884 3.885) 5.218 2.659 ( 2.413 0.156 2.709) 3.631 2.726 ( 0.964 3.639 7.284) 8.199 2.797 ( -3.205 1.665 -2.994) 4.691 3.059 ( -5.065 -1.091 6.218) 8.094 3.287 ( -5.752 -1.658 -4.617) 7.560 3.314 ( 1.152 0.753 -0.569) 1.489 3.325 ( 1.345 -3.978 5.326) 6.782 3.431 ( -5.253 -2.081 -0.856) 5.714 3.515 ( 2.389 -0.260 4.628) 5.215 3.644 ( 0.865 -1.107 1.231) 1.869 3.743 ( 3.330 -0.786 -1.219) 3.633 3.780 ( 1.755 1.084 -3.393) 3.970 3.853 ( 4.838 -2.255 -0.129) 5.340 3.993 ( -0.507 -0.659 -0.704) 1.089 4.053 ( 1.583 -0.557 -2.018) 2.624 4.107 ( -1.656 1.747 2.312) 3.338 4.171 ( -1.528 2.790 -3.423) 4.672 4.247 ( 0.006 1.053 0.791) 1.317 4.271 ( 0.403 0.479 -1.170) 1.327 4.464 ( -0.967 0.441 -0.610) 1.225 4.475 ( 0.327 0.268 0.983) 1.070 4.913 ( 2.081 0.012 -0.181) 2.089 4.936 ( 1.899 -0.281 -2.467) 3.126 5.590 ( -1.974 0.878 -0.233) 2.173 5.607 ( -0.195 0.987 1.067) 1.466 6.974 ( -2.024 2.666 -3.458) 4.813 7.016 ( 3.789 0.694 0.915) 3.959 8.608 ( -0.537 -0.629 -0.918) 1.236 8.616 ( 0.668 -0.727 0.306) 1.034 10.249 ( -1.309 -2.831 -1.108) 3.310 10.285 ( 1.538 4.465 0.222) 4.728 10.393 ( -1.936 -0.502 2.223) 2.990 10.432 ( -1.272 -2.188 0.244) 2.542 11.001 ( -3.167 2.749 1.270) 4.382 11.089 ( 1.789 2.353 1.482) 3.307 13.055 ( -0.736 0.738 -0.269) 1.076 13.067 ( 0.156 1.003 -0.074) 1.018 ======================= Grid point 180 (91/116) ======================= q-point: ( 0.43 -0.57 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -0.123 -0.000 3.029) 3.032 1.362 ( 6.207 0.000 -0.297) 6.214 1.483 ( -0.248 -0.000 2.622) 2.634 1.533 ( -2.865 -0.000 0.736) 2.958 1.598 ( 7.369 0.000 -6.161) 9.605 1.601 ( -2.031 -0.000 -3.519) 4.062 1.762 ( -0.453 -0.000 3.668) 3.696 1.795 ( -3.056 -0.000 -4.393) 5.352 1.880 ( -3.825 -0.000 -0.990) 3.951 1.977 ( 0.271 0.000 -17.283) 17.285 2.038 ( -6.480 -0.000 7.321) 9.777 2.112 ( -4.859 -0.000 -5.143) 7.076 2.131 ( 4.214 0.000 0.070) 4.215 2.181 ( 3.214 0.000 -5.889) 6.709 2.278 ( -5.460 -0.000 -3.912) 6.717 2.439 ( -0.392 -0.000 -4.628) 4.645 2.445 ( 2.048 0.000 2.139) 2.961 2.541 ( -9.006 -0.000 0.974) 9.058 2.544 ( 3.193 0.000 17.189) 17.483 2.760 ( 0.286 0.000 10.481) 10.485 2.951 ( 8.842 0.000 3.876) 9.655 3.134 ( -1.393 -0.000 1.389) 1.967 3.234 ( 2.467 0.000 2.281) 3.360 3.259 ( -4.181 -0.000 0.191) 4.186 3.304 ( 9.177 0.000 -2.674) 9.559 3.622 ( -2.552 -0.000 2.767) 3.764 3.691 ( -1.834 -0.000 0.622) 1.936 3.767 ( -1.296 -0.000 -0.713) 1.480 3.785 ( -3.671 -0.000 -4.621) 5.901 3.883 ( -7.148 -0.000 -3.074) 7.781 4.052 ( 0.802 0.000 -2.582) 2.704 4.107 ( -1.088 -0.000 -4.342) 4.476 4.110 ( 0.928 0.000 1.689) 1.927 4.210 ( 1.662 0.000 2.022) 2.618 4.237 ( 2.107 0.000 -0.709) 2.223 4.260 ( 0.648 0.000 -0.573) 0.865 4.489 ( 1.471 0.000 -1.514) 2.111 4.521 ( -0.645 -0.000 -0.803) 1.030 4.885 ( -1.009 -0.000 -0.025) 1.009 4.954 ( 0.180 0.000 -1.219) 1.233 5.482 ( 2.696 0.000 3.713) 4.588 5.722 ( -0.316 -0.000 -1.178) 1.220 6.872 ( 2.890 0.000 3.768) 4.749 7.143 ( -0.239 -0.000 -2.719) 2.729 8.575 ( 0.813 0.000 -0.545) 0.978 8.631 ( -0.605 -0.000 -0.890) 1.076 10.257 ( 3.906 0.000 -1.369) 4.139 10.264 ( -3.248 -0.000 3.158) 4.530 10.379 ( -0.549 -0.000 1.758) 1.842 10.420 ( 2.654 0.000 -2.511) 3.654 11.071 ( 2.290 0.000 -0.218) 2.301 11.173 ( -4.130 -0.000 0.993) 4.247 13.063 ( 1.347 0.000 0.122) 1.352 13.072 ( 0.742 0.000 0.685) 1.010 ======================= Grid point 182 (92/116) ======================= q-point: (-0.43 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -0.936 -0.073 1.489) 1.760 1.338 ( 0.213 1.793 -5.101) 5.411 1.444 ( -0.670 9.127 0.121) 9.153 1.478 ( -0.053 5.599 -3.074) 6.387 1.576 ( -0.104 4.415 -8.099) 9.225 1.613 ( 2.995 -1.800 -6.723) 7.577 1.702 ( 1.450 -0.510 -5.767) 5.968 1.725 ( -2.977 -2.299 -2.632) 4.591 1.869 ( -2.564 8.358 -0.409) 8.752 1.913 ( 3.828 -1.605 -2.067) 4.637 1.997 ( -0.830 -5.440 -0.673) 5.544 2.060 ( -3.028 1.732 3.654) 5.052 2.081 ( 0.069 0.401 -1.562) 1.614 2.199 ( 1.322 -4.262 -1.160) 4.610 2.267 ( 1.777 -1.493 -0.954) 2.509 2.363 ( -0.744 9.250 -2.865) 9.713 2.445 ( -3.897 -1.395 3.622) 5.500 2.523 ( 1.368 -8.057 -0.447) 8.184 2.764 ( 3.277 5.722 12.140) 13.815 2.884 ( 2.985 -6.344 6.182) 9.348 2.998 ( -4.464 1.106 1.966) 5.002 3.145 ( -3.684 -1.633 9.154) 10.002 3.258 ( 2.567 1.555 3.055) 4.283 3.296 ( 1.764 -1.769 1.953) 3.171 3.412 ( 6.276 -0.103 0.269) 6.283 3.595 ( -9.077 0.260 -1.670) 9.233 3.634 ( -3.269 0.437 -1.733) 3.726 3.714 ( 2.890 -1.715 0.253) 3.371 3.741 ( -0.005 0.209 -1.835) 1.846 3.800 ( -0.429 -0.544 -2.918) 2.999 4.020 ( -0.405 0.876 -3.379) 3.514 4.047 ( -0.486 -1.435 -4.030) 4.305 4.137 ( 0.067 0.622 1.383) 1.518 4.215 ( -0.394 -0.269 -0.347) 0.590 4.261 ( -0.115 0.153 -0.079) 0.207 4.286 ( 3.075 0.456 -0.585) 3.164 4.485 ( 0.175 0.578 -0.889) 1.075 4.502 ( -0.687 0.259 -1.076) 1.303 4.884 ( 0.607 0.026 0.690) 0.920 4.945 ( 0.996 0.492 -2.142) 2.413 5.555 ( 1.898 0.278 4.181) 4.600 5.686 ( -1.936 0.539 -2.180) 2.965 6.952 ( 3.001 0.393 3.668) 4.755 7.098 ( -0.891 1.279 -3.819) 4.125 8.586 ( 0.845 -0.379 -0.101) 0.931 8.613 ( -0.606 -0.287 -1.096) 1.285 10.233 ( -3.241 0.336 2.364) 4.026 10.307 ( 2.334 -0.925 -0.477) 2.556 10.386 ( -0.825 -0.195 1.622) 1.831 10.429 ( 1.944 0.498 -2.745) 3.400 11.099 ( 1.405 1.186 0.748) 1.985 11.110 ( -4.223 0.964 0.811) 4.407 13.079 ( 0.307 0.530 0.301) 0.682 13.081 ( 0.384 0.309 0.218) 0.540 ======================= Grid point 183 (93/116) ======================= q-point: (-0.29 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -1.604 1.753 -0.192) 2.384 1.278 ( -0.753 0.623 -3.867) 3.989 1.346 ( -2.352 3.618 -1.751) 4.657 1.423 ( 2.750 6.889 -2.270) 7.757 1.459 ( -0.383 9.291 -1.431) 9.408 1.565 ( 4.167 5.307 -3.086) 7.420 1.625 ( -3.846 3.475 -4.602) 6.932 1.729 ( -1.165 -2.099 0.784) 2.525 1.830 ( 7.734 2.504 -0.428) 8.141 1.948 ( 3.676 6.651 -3.134) 8.220 2.030 ( 0.644 -4.530 1.114) 4.709 2.090 ( 1.044 -2.371 -0.190) 2.598 2.129 ( 0.855 -3.477 2.204) 4.204 2.215 ( 0.284 8.672 -4.245) 9.660 2.240 ( 0.976 -3.998 -0.064) 4.116 2.300 ( 1.170 -0.733 0.383) 1.433 2.500 ( -0.721 -7.154 3.942) 8.200 2.607 ( 2.788 -5.208 0.043) 5.907 2.812 ( -1.375 5.063 4.311) 6.790 2.835 ( -6.549 2.254 -1.906) 7.183 3.056 ( -1.260 0.988 10.852) 10.970 3.245 ( 1.534 -5.272 7.471) 9.272 3.268 ( -4.250 -0.505 -3.979) 5.844 3.314 ( -2.202 -1.014 -1.268) 2.736 3.405 ( -6.600 -0.886 -2.965) 7.290 3.514 ( 4.076 0.147 4.919) 6.390 3.628 ( -0.448 -0.653 1.374) 1.586 3.729 ( 1.536 -0.713 -1.309) 2.141 3.797 ( 3.544 0.730 -2.874) 4.621 3.813 ( 5.998 -2.197 0.468) 6.405 3.991 ( 0.173 0.377 -0.478) 0.633 4.035 ( 1.400 -1.587 -2.611) 3.361 4.131 ( -1.841 1.041 1.990) 2.904 4.193 ( -0.916 0.371 -2.322) 2.524 4.258 ( 0.186 0.245 -0.398) 0.503 4.295 ( 0.731 1.847 -1.528) 2.506 4.474 ( -0.949 0.660 -0.694) 1.348 4.480 ( -0.047 0.331 0.543) 0.637 4.911 ( 1.979 -0.095 0.352) 2.012 4.938 ( 1.604 0.370 -2.524) 3.014 5.607 ( -1.070 1.050 1.215) 1.930 5.620 ( -1.337 0.529 -0.190) 1.450 7.015 ( -0.254 1.869 -1.373) 2.333 7.030 ( 1.222 0.943 -0.678) 1.685 8.598 ( -0.437 -0.557 -1.051) 1.268 8.604 ( 0.763 -0.642 0.310) 1.044 10.205 ( -3.544 -2.130 0.875) 4.226 10.334 ( 1.493 0.731 0.099) 1.665 10.388 ( -1.068 -0.272 1.295) 1.700 10.416 ( 0.178 0.955 -1.662) 1.925 11.042 ( -3.723 1.942 1.053) 4.329 11.124 ( 1.274 1.674 1.854) 2.804 13.067 ( -0.977 0.625 -0.194) 1.176 13.083 ( 0.036 0.782 -0.108) 0.791 ======================= Grid point 184 (94/116) ======================= q-point: (-0.14 -0.57 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 0.732 3.547 0.760) 3.701 1.200 ( -5.437 1.625 0.858) 5.739 1.342 ( 1.626 -1.439 2.253) 3.129 1.389 ( 0.214 5.342 -1.553) 5.568 1.456 ( 4.744 3.944 2.014) 6.490 1.498 ( -0.143 7.331 2.960) 7.907 1.611 ( 4.012 3.578 -0.144) 5.378 1.774 ( 6.408 0.879 1.489) 6.637 1.787 ( -8.725 4.649 -1.994) 10.085 1.973 ( 7.745 4.651 0.675) 9.060 2.029 ( 1.426 -0.430 -2.511) 2.919 2.096 ( -0.650 -0.637 -1.426) 1.692 2.203 ( 3.258 -0.202 1.463) 3.577 2.251 ( 7.185 -1.671 0.501) 7.394 2.299 ( 2.017 -0.460 1.756) 2.713 2.340 ( 2.315 -4.208 -0.015) 4.803 2.543 ( -3.811 -4.244 0.479) 5.724 2.683 ( 3.909 0.030 -0.445) 3.934 2.699 ( -8.184 -1.200 2.202) 8.560 2.779 ( -4.230 -2.057 0.701) 4.756 3.105 ( -5.667 -0.271 -9.638) 11.184 3.134 ( 2.306 5.450 7.380) 9.459 3.191 ( -8.874 -3.578 -4.356) 10.513 3.329 ( -2.530 -1.438 -5.005) 5.789 3.370 ( 2.291 -3.067 0.377) 3.847 3.621 ( 2.520 0.641 7.122) 7.582 3.657 ( 0.923 -1.641 2.213) 2.905 3.768 ( 2.670 -0.798 -0.659) 2.863 3.825 ( 5.161 1.686 -2.381) 5.928 3.911 ( 2.824 -0.619 1.123) 3.101 4.006 ( 1.666 0.048 0.929) 1.909 4.068 ( 3.297 -1.476 -0.968) 3.740 4.112 ( -2.643 0.930 3.332) 4.353 4.146 ( -1.092 1.953 -1.573) 2.735 4.250 ( -0.254 0.428 -1.013) 1.129 4.261 ( -0.542 0.938 -1.873) 2.164 4.447 ( -0.655 0.615 -0.875) 1.254 4.500 ( 0.463 -0.383 2.478) 2.550 4.936 ( 1.975 0.061 -1.854) 2.709 4.947 ( 2.326 0.077 -1.111) 2.579 5.518 ( -4.262 0.855 -2.944) 5.250 5.652 ( 0.569 0.720 3.010) 3.147 6.918 ( -2.886 2.359 -4.611) 5.930 7.082 ( 2.721 0.322 1.287) 3.027 8.587 ( -0.204 -0.595 -1.023) 1.201 8.625 ( 0.621 -0.582 0.611) 1.048 10.176 ( -2.655 -2.813 -1.486) 4.144 10.345 ( 0.935 2.461 0.899) 2.782 10.383 ( -1.021 0.092 0.760) 1.276 10.398 ( -1.510 -1.306 0.558) 2.073 10.991 ( -2.131 1.909 1.004) 3.032 11.148 ( 0.813 1.587 2.757) 3.283 13.042 ( -1.040 0.516 -0.479) 1.255 13.068 ( -0.567 0.752 -0.555) 1.093 ======================= Grid point 189 (95/116) ======================= q-point: (-0.43 0.57 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( -0.750 -0.000 1.262) 1.468 1.280 ( -0.335 -0.000 -5.039) 5.050 1.374 ( -4.839 -0.000 -5.751) 7.516 1.521 ( 3.146 0.000 -4.322) 5.346 1.558 ( 0.742 0.000 -2.034) 2.165 1.594 ( 1.834 0.000 -1.617) 2.445 1.667 ( -5.960 -0.000 0.809) 6.014 1.669 ( 2.023 0.000 -1.982) 2.832 1.867 ( 3.858 0.000 -5.365) 6.608 1.963 ( 3.429 0.000 2.986) 4.547 2.036 ( 4.286 0.000 1.347) 4.492 2.062 ( 2.119 0.000 -3.757) 4.313 2.100 ( -0.947 -0.000 4.115) 4.223 2.184 ( 0.785 0.000 0.486) 0.923 2.309 ( 1.042 0.000 5.422) 5.521 2.343 ( -1.105 -0.000 -6.460) 6.554 2.407 ( -1.839 -0.000 -0.241) 1.855 2.538 ( 7.069 0.000 2.139) 7.386 2.854 ( -9.269 -0.000 -1.885) 9.459 2.858 ( -3.739 -0.000 1.157) 3.914 3.078 ( 4.626 0.000 15.106) 15.798 3.185 ( 0.373 0.000 7.821) 7.830 3.269 ( -3.254 -0.000 -3.958) 5.124 3.297 ( -4.960 -0.000 -1.242) 5.113 3.400 ( -6.391 -0.000 -3.565) 7.318 3.516 ( 4.351 0.000 4.760) 6.449 3.623 ( -0.762 -0.000 1.358) 1.557 3.723 ( 0.733 0.000 -1.463) 1.637 3.792 ( 6.531 0.000 0.708) 6.569 3.803 ( 4.006 0.000 -2.120) 4.533 4.005 ( 0.272 0.000 -1.552) 1.575 4.010 ( 1.526 0.000 -2.087) 2.585 4.139 ( -1.830 -0.000 1.469) 2.347 4.195 ( -0.677 -0.000 -1.892) 2.009 4.259 ( 0.012 0.000 -0.582) 0.582 4.312 ( 1.255 0.000 -1.671) 2.090 4.480 ( -1.068 -0.000 -0.881) 1.384 4.484 ( -0.176 -0.000 0.494) 0.524 4.911 ( 1.850 0.000 0.756) 1.998 4.942 ( 1.518 0.000 -2.745) 3.137 5.618 ( 1.016 0.000 3.951) 4.079 5.623 ( -3.521 -0.000 -2.847) 4.528 7.028 ( 2.422 0.000 3.151) 3.975 7.041 ( -1.756 -0.000 -5.061) 5.357 8.593 ( -0.407 -0.000 -1.163) 1.232 8.598 ( 0.830 0.000 0.348) 0.900 10.187 ( -4.471 -0.000 1.543) 4.729 10.333 ( 0.423 0.000 1.051) 1.133 10.385 ( -0.893 -0.000 1.105) 1.420 10.432 ( 1.930 0.000 -3.455) 3.957 11.058 ( -3.891 -0.000 1.073) 4.036 11.138 ( 1.002 0.000 1.989) 2.227 13.072 ( -1.083 -0.000 -0.171) 1.097 13.090 ( -0.013 -0.000 -0.115) 0.115 ======================= Grid point 191 (96/116) ======================= q-point: (-0.29 -0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 0.195 3.145 2.915) 4.292 1.213 ( -5.844 0.082 -0.406) 5.859 1.298 ( -1.402 -2.539 1.632) 3.328 1.469 ( -0.933 4.769 -2.979) 5.700 1.561 ( -0.448 6.372 4.197) 7.644 1.604 ( 3.545 -0.649 -0.163) 3.607 1.620 ( 2.340 0.871 -0.976) 2.681 1.760 ( 6.493 -0.673 2.740) 7.080 1.863 ( -2.819 5.286 -1.992) 6.313 1.995 ( -5.442 -3.567 -0.409) 6.519 2.058 ( 1.117 2.127 -0.132) 2.406 2.073 ( 3.221 -0.313 -3.418) 4.707 2.124 ( 7.179 -4.725 0.064) 8.595 2.277 ( 6.822 0.849 2.448) 7.298 2.303 ( 4.678 1.757 -1.551) 5.232 2.345 ( 0.257 3.930 2.181) 4.502 2.447 ( -1.505 -7.017 1.201) 7.277 2.679 ( -7.631 -0.727 4.354) 8.816 2.691 ( 3.212 0.704 1.433) 3.587 2.754 ( -7.868 -0.947 -0.891) 7.975 3.106 ( -6.150 0.729 -10.079) 11.829 3.137 ( -7.749 -2.701 -5.951) 10.137 3.226 ( 2.753 4.954 5.402) 7.829 3.304 ( 0.701 -2.139 0.240) 2.264 3.326 ( 0.708 -1.586 -2.164) 2.774 3.620 ( 1.911 -0.237 6.317) 6.604 3.643 ( 0.665 -0.302 3.459) 3.535 3.752 ( 3.349 -0.635 0.526) 3.449 3.858 ( 5.772 1.523 -2.329) 6.408 3.899 ( 4.007 -0.745 2.276) 4.668 4.003 ( 0.557 -0.074 0.210) 0.600 4.041 ( 3.231 -1.412 -0.797) 3.615 4.120 ( -3.084 0.202 3.123) 4.394 4.160 ( -0.987 0.149 -2.173) 2.392 4.249 ( 0.329 -0.111 -2.283) 2.309 4.289 ( -0.931 1.343 -2.051) 2.622 4.455 ( -1.076 0.267 -0.614) 1.267 4.497 ( 0.587 0.008 1.961) 2.047 4.940 ( 1.872 0.273 -2.426) 3.077 4.948 ( 2.164 -0.035 0.011) 2.164 5.529 ( -4.588 0.416 -3.135) 5.572 5.661 ( 0.439 0.306 3.105) 3.150 6.949 ( -2.882 1.166 -5.477) 6.298 7.085 ( 1.797 0.084 2.158) 2.810 8.579 ( -0.045 -0.295 -1.090) 1.130 8.617 ( 0.786 -0.278 0.683) 1.078 10.141 ( -3.633 -1.184 0.819) 3.908 10.343 ( -1.238 -0.957 2.115) 2.631 10.383 ( -0.546 -0.174 0.584) 0.819 10.414 ( 0.656 1.526 -3.036) 3.460 11.016 ( -2.497 0.923 0.986) 2.839 11.167 ( -0.141 0.604 3.031) 3.094 13.049 ( -1.327 0.235 -0.453) 1.421 13.078 ( -0.794 0.339 -0.598) 1.050 ======================= Grid point 192 (97/116) ======================= q-point: (-0.14 -0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -5.514 0.602 1.561) 5.763 1.203 ( -0.261 2.119 8.328) 8.598 1.353 ( -4.228 -0.133 5.278) 6.764 1.382 ( -3.704 -0.014 1.064) 3.854 1.569 ( 0.103 0.572 3.310) 3.360 1.644 ( 3.411 10.482 -0.781) 11.051 1.672 ( 3.655 2.686 2.673) 5.265 1.697 ( -1.137 2.044 -0.740) 2.453 1.904 ( 5.726 -1.428 2.188) 6.294 2.012 ( 2.903 -3.017 2.408) 4.830 2.017 ( -2.263 -0.515 0.357) 2.348 2.097 ( -0.518 0.581 0.556) 0.957 2.279 ( -5.533 -5.909 -0.943) 8.150 2.305 ( 2.337 3.323 1.048) 4.196 2.360 ( 3.402 -0.036 -1.130) 3.585 2.376 ( 3.232 -0.578 1.316) 3.537 2.468 ( 5.190 -0.962 2.650) 5.906 2.567 ( -10.064 -1.613 4.650) 11.203 2.679 ( -1.429 -3.292 -0.988) 3.723 2.835 ( 9.382 3.107 -0.658) 9.905 2.891 ( -5.529 -1.432 -14.823) 15.885 3.010 ( -5.205 -1.616 -2.927) 6.187 3.162 ( -3.767 0.338 -7.826) 8.692 3.306 ( 2.797 2.424 -0.496) 3.734 3.367 ( 1.165 -1.236 -2.359) 2.907 3.692 ( 1.457 -0.043 4.591) 4.816 3.734 ( 2.861 -1.427 6.338) 7.098 3.806 ( 0.485 1.748 2.350) 2.969 3.875 ( 3.001 1.453 -4.619) 5.697 3.934 ( 0.371 0.217 -0.776) 0.887 4.035 ( 1.101 -0.955 1.217) 1.899 4.099 ( 1.655 -0.679 0.440) 1.842 4.112 ( -2.091 -0.323 3.531) 4.116 4.141 ( 1.201 -0.207 -0.896) 1.513 4.229 ( -0.079 -0.199 -2.936) 2.944 4.238 ( -1.086 0.705 -1.194) 1.761 4.436 ( -0.284 0.141 -0.749) 0.813 4.540 ( 1.588 0.373 3.358) 3.733 4.939 ( 1.157 -0.101 -2.625) 2.870 4.971 ( 1.160 0.242 -0.639) 1.346 5.432 ( -3.751 0.262 -2.449) 4.487 5.688 ( 0.328 0.399 2.051) 2.115 6.842 ( -3.315 1.312 -4.088) 5.424 7.122 ( 1.023 -0.297 0.954) 1.430 8.575 ( 0.362 -0.344 -0.967) 1.088 8.637 ( 0.562 -0.266 0.686) 0.926 10.113 ( -1.843 -1.324 -0.135) 2.273 10.359 ( -0.889 -1.145 2.478) 2.870 10.375 ( -0.902 1.377 -1.358) 2.134 10.390 ( 0.498 -0.743 0.449) 1.001 10.988 ( -0.986 1.265 0.635) 1.725 11.182 ( -1.405 0.220 3.261) 3.557 13.027 ( -0.682 0.126 -0.302) 0.757 13.054 ( -0.916 0.315 -0.873) 1.304 ======================= Grid point 198 (98/116) ======================= q-point: (-0.29 -0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -6.954 -0.000 3.624) 7.841 1.245 ( 1.633 0.000 2.825) 3.263 1.300 ( -2.906 -0.000 8.765) 9.234 1.410 ( -7.117 -0.000 0.049) 7.117 1.564 ( 0.458 0.000 0.662) 0.805 1.699 ( 3.293 0.000 3.260) 4.634 1.714 ( 0.982 0.000 0.001) 0.982 1.795 ( -1.709 -0.000 -1.166) 2.069 1.891 ( 0.520 0.000 -1.859) 1.930 1.935 ( 6.150 0.000 8.331) 10.355 2.018 ( -1.838 -0.000 -1.079) 2.131 2.138 ( -2.178 -0.000 2.359) 3.211 2.174 ( -0.231 -0.000 -1.379) 1.398 2.342 ( -2.146 -0.000 1.120) 2.421 2.360 ( 4.911 0.000 -2.227) 5.392 2.367 ( -0.265 -0.000 0.695) 0.744 2.467 ( 7.976 0.000 4.372) 9.095 2.587 ( -7.022 -0.000 7.299) 10.129 2.622 ( -3.281 -0.000 -1.826) 3.755 2.864 ( 9.603 0.000 -0.278) 9.607 2.875 ( -5.829 -0.000 -17.659) 18.597 2.998 ( -3.355 -0.000 -1.808) 3.811 3.163 ( -4.259 -0.000 -8.109) 9.160 3.333 ( 2.476 0.000 -2.634) 3.615 3.354 ( 1.227 0.000 -0.228) 1.248 3.699 ( 2.978 0.000 3.565) 4.646 3.712 ( 1.960 0.000 6.164) 6.468 3.820 ( 1.186 0.000 4.607) 4.758 3.902 ( 2.492 0.000 -5.656) 6.181 3.934 ( -0.077 -0.000 -0.373) 0.381 4.019 ( 1.708 0.000 0.829) 1.898 4.087 ( 3.144 0.000 0.874) 3.263 4.110 ( -3.522 -0.000 4.865) 6.006 4.132 ( 0.662 0.000 -2.237) 2.333 4.224 ( 0.421 0.000 -3.789) 3.812 4.253 ( -2.109 -0.000 -1.223) 2.438 4.437 ( -0.626 -0.000 -0.600) 0.867 4.544 ( 2.438 0.000 3.282) 4.089 4.939 ( 1.021 0.000 -2.752) 2.935 4.973 ( 0.843 0.000 -0.326) 0.904 5.435 ( -3.958 -0.000 -2.526) 4.696 5.691 ( 0.219 0.000 1.987) 1.999 6.855 ( -3.464 -0.000 -4.654) 5.802 7.119 ( 0.436 0.000 1.268) 1.341 8.572 ( 0.489 0.000 -0.968) 1.084 8.635 ( 0.663 0.000 0.737) 0.992 10.103 ( -2.086 -0.000 1.564) 2.608 10.343 ( -1.068 -0.000 3.082) 3.262 10.383 ( 0.394 0.000 0.023) 0.394 10.390 ( -0.790 -0.000 -2.885) 2.991 11.001 ( -1.129 -0.000 0.602) 1.279 11.183 ( -2.184 -0.000 3.449) 4.082 13.028 ( -0.863 -0.000 -0.307) 0.915 13.057 ( -1.096 -0.000 -0.903) 1.420 ======================= Grid point 199 (99/116) ======================= q-point: (-0.14 -0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -6.051 0.896 4.564) 7.632 1.235 ( -15.307 2.355 3.758) 15.937 1.293 ( 1.604 1.077 3.235) 3.768 1.376 ( -2.498 -4.179 9.821) 10.962 1.581 ( -1.882 0.252 0.934) 2.116 1.617 ( -2.084 0.105 -2.508) 3.262 1.702 ( -5.017 -1.829 0.302) 5.348 1.854 ( 2.211 5.034 1.510) 5.701 1.933 ( 0.337 -3.564 3.008) 4.676 1.976 ( -6.023 0.989 -1.753) 6.350 2.004 ( -6.189 -1.634 1.720) 6.628 2.135 ( 0.797 -1.124 5.642) 5.808 2.151 ( 5.033 -3.501 7.444) 9.644 2.343 ( 2.895 5.083 1.069) 5.946 2.391 ( 1.944 1.015 -3.461) 4.097 2.453 ( 1.130 -3.973 -0.269) 4.139 2.505 ( -1.141 6.996 -3.673) 7.983 2.610 ( 0.587 -3.347 1.495) 3.712 2.656 ( 0.467 0.036 -4.300) 4.325 2.687 ( 7.623 -2.514 -1.228) 8.120 2.847 ( -2.108 -0.063 -9.931) 10.153 2.996 ( 0.258 0.263 -5.645) 5.657 3.105 ( 5.386 1.457 2.468) 6.101 3.313 ( -2.743 0.689 -2.926) 4.070 3.348 ( 3.008 -0.286 -3.172) 4.381 3.769 ( 2.929 0.338 1.561) 3.336 3.786 ( -2.142 1.491 1.987) 3.280 3.817 ( -3.069 -0.436 -6.149) 6.887 3.837 ( -1.089 -0.352 3.925) 4.089 3.951 ( 2.180 0.146 0.435) 2.228 4.034 ( -0.662 -0.453 -1.669) 1.852 4.102 ( -2.065 0.603 1.658) 2.716 4.113 ( -1.285 -0.627 2.645) 3.007 4.165 ( 3.083 -1.173 -0.168) 3.303 4.194 ( 0.337 -0.567 -3.277) 3.342 4.225 ( 0.275 -0.282 -0.613) 0.729 4.427 ( 0.170 -0.186 -0.803) 0.842 4.621 ( 3.670 1.538 2.734) 4.828 4.915 ( -0.967 -0.190 -2.127) 2.345 4.957 ( -1.972 -0.255 -1.200) 2.322 5.384 ( -0.513 -0.008 -0.404) 0.653 5.708 ( 0.304 0.037 0.794) 0.851 6.774 ( -2.520 0.185 -1.364) 2.872 7.124 ( -0.844 -0.620 0.071) 1.050 8.575 ( 0.925 -0.061 -0.774) 1.208 8.648 ( 0.283 -0.034 0.422) 0.509 10.104 ( -0.189 0.474 1.967) 2.032 10.345 ( -1.909 -0.099 -0.952) 2.135 10.378 ( 1.254 -0.900 1.930) 2.471 10.398 ( 1.372 -0.606 0.024) 1.500 10.993 ( -0.008 0.670 0.085) 0.675 11.169 ( -3.971 -0.661 2.961) 4.997 13.021 ( 0.080 -0.098 0.128) 0.180 13.034 ( -0.631 -0.030 -0.771) 0.997 ======================= Grid point 206 (100/116) ======================= q-point: (-0.14 -0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -19.460 -0.000 7.339) 20.797 1.023 ( -9.033 -0.000 5.531) 10.592 1.353 ( 4.224 0.000 -0.916) 4.322 1.377 ( -8.707 -0.000 5.909) 10.523 1.505 ( -9.608 -0.000 -4.105) 10.448 1.517 ( -5.064 -0.000 -3.059) 5.916 1.607 ( -7.338 -0.000 15.992) 17.595 1.741 ( -8.652 -0.000 -1.468) 8.776 1.881 ( 2.056 0.000 -0.317) 2.080 2.035 ( 6.883 0.000 -7.288) 10.024 2.046 ( 4.143 0.000 -2.025) 4.611 2.216 ( 6.218 0.000 -10.023) 11.795 2.289 ( 5.952 0.000 8.672) 10.518 2.310 ( -2.773 -0.000 -8.254) 8.707 2.375 ( -5.823 -0.000 0.534) 5.847 2.447 ( 0.788 0.000 9.952) 9.983 2.513 ( 0.692 0.000 -7.683) 7.714 2.529 ( -2.528 -0.000 2.905) 3.851 2.685 ( -4.383 -0.000 -9.405) 10.376 2.758 ( 6.747 0.000 3.973) 7.830 2.873 ( 9.848 0.000 5.240) 11.155 2.987 ( 4.818 0.000 -1.835) 5.156 3.201 ( 1.478 0.000 0.106) 1.482 3.213 ( -5.084 -0.000 -2.075) 5.491 3.396 ( 5.384 0.000 -1.626) 5.624 3.677 ( -5.177 -0.000 -1.750) 5.465 3.733 ( -5.135 -0.000 1.044) 5.240 3.846 ( 0.783 0.000 -3.688) 3.770 3.847 ( 0.948 0.000 1.559) 1.824 3.956 ( -3.913 -0.000 1.326) 4.132 3.995 ( 0.644 0.000 -2.393) 2.479 4.081 ( -1.452 -0.000 -0.150) 1.460 4.129 ( 0.821 0.000 0.774) 1.129 4.170 ( -0.800 -0.000 0.830) 1.153 4.204 ( 3.292 0.000 -2.296) 4.014 4.229 ( 0.883 0.000 0.065) 0.885 4.423 ( 0.556 0.000 -0.810) 0.982 4.675 ( 0.659 0.000 -2.652) 2.732 4.895 ( 0.094 0.000 1.386) 1.390 4.902 ( -2.958 -0.000 -0.785) 3.061 5.406 ( 2.214 0.000 1.628) 2.748 5.711 ( -0.186 -0.000 -0.600) 0.629 6.762 ( 0.690 0.000 2.196) 2.302 7.094 ( -1.985 -0.000 -0.933) 2.194 8.585 ( 1.216 0.000 -0.520) 1.323 8.651 ( -0.109 -0.000 -0.011) 0.109 10.140 ( 0.625 0.000 3.226) 3.286 10.304 ( -1.362 -0.000 -1.328) 1.902 10.412 ( 1.264 0.000 1.245) 1.774 10.425 ( 2.421 0.000 -0.084) 2.422 10.999 ( 0.708 0.000 -0.413) 0.820 11.115 ( -5.671 -0.000 2.212) 6.087 13.024 ( 0.078 0.000 -0.331) 0.340 13.030 ( 0.649 0.000 0.471) 0.802 ======================= Grid point 207 (101/116) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -0.247 -0.000 -1.528) 1.548 0.967 ( 0.247 0.000 1.528) 1.548 1.116 ( -2.460 -0.000 -2.022) 3.185 1.116 ( 2.460 0.000 2.022) 3.185 1.412 ( -2.983 -0.000 -0.223) 2.991 1.412 ( 2.983 0.000 0.223) 2.991 1.566 ( -5.976 -0.000 -1.179) 6.092 1.566 ( 5.976 0.000 1.179) 6.092 1.797 ( -11.924 -0.000 -1.473) 12.015 1.797 ( 11.924 0.000 1.473) 12.015 1.998 ( -5.726 -0.000 -3.193) 6.556 1.998 ( 5.726 0.000 3.193) 6.556 2.270 ( 2.426 0.000 -2.185) 3.265 2.270 ( -2.426 -0.000 2.185) 3.265 2.432 ( -5.680 -0.000 -2.285) 6.122 2.432 ( 5.680 0.000 2.285) 6.122 2.587 ( 4.656 0.000 -2.724) 5.394 2.587 ( -4.656 -0.000 2.724) 5.394 2.774 ( -0.761 -0.000 -7.272) 7.312 2.774 ( 0.761 0.000 7.272) 7.312 3.205 ( 6.410 0.000 -3.487) 7.297 3.205 ( -6.410 -0.000 3.487) 7.297 3.353 ( -6.921 -0.000 -7.050) 9.879 3.353 ( 6.921 0.000 7.050) 9.879 3.522 ( -1.773 -0.000 -2.938) 3.431 3.522 ( 1.773 0.000 2.938) 3.431 3.676 ( -3.863 -0.000 1.218) 4.050 3.676 ( 3.863 0.000 -1.218) 4.050 3.811 ( 3.564 0.000 -2.086) 4.130 3.811 ( -3.564 -0.000 2.086) 4.130 4.028 ( -2.480 -0.000 -3.444) 4.244 4.028 ( 2.480 0.000 3.444) 4.244 4.096 ( -0.075 -0.000 -0.857) 0.860 4.096 ( 0.075 0.000 0.857) 0.860 4.252 ( 0.592 0.000 -1.129) 1.275 4.252 ( -0.592 -0.000 1.129) 1.275 4.471 ( -1.962 -0.000 -2.245) 2.982 4.471 ( 1.962 0.000 2.245) 2.982 4.903 ( -0.096 -0.000 -1.794) 1.797 4.903 ( 0.096 0.000 1.794) 1.797 5.594 ( -2.259 -0.000 -2.969) 3.731 5.594 ( 2.259 0.000 2.969) 3.731 6.952 ( -3.446 -0.000 -1.831) 3.902 6.952 ( 3.446 0.000 1.831) 3.902 8.620 ( -0.738 -0.000 -0.579) 0.938 8.620 ( 0.738 0.000 0.579) 0.938 10.243 ( 1.336 0.000 -2.129) 2.514 10.243 ( -1.336 -0.000 2.129) 2.514 10.465 ( 1.038 0.000 -1.665) 1.962 10.465 ( -1.038 -0.000 1.665) 1.962 11.014 ( -2.866 -0.000 0.895) 3.003 11.014 ( 2.866 0.000 -0.895) 3.003 13.049 ( -0.421 -0.000 -0.297) 0.515 13.049 ( 0.421 0.000 0.297) 0.515 ======================= Grid point 209 (102/116) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 7.240 0.863 -5.085) 8.890 1.075 ( 8.150 -8.526 -3.500) 12.304 1.208 ( 10.464 -0.677 3.275) 10.986 1.291 ( 10.672 -7.001 4.276) 13.461 1.381 ( -1.561 0.166 2.275) 2.764 1.425 ( -3.562 -1.384 -0.859) 3.917 1.540 ( -0.445 -0.526 9.499) 9.523 1.648 ( -7.004 -1.972 4.340) 8.473 1.696 ( 5.290 -2.284 3.923) 6.971 1.834 ( -6.655 -1.038 -0.478) 6.752 2.027 ( 7.508 3.532 5.575) 9.996 2.131 ( 4.786 -2.221 3.923) 6.575 2.220 ( -4.665 3.684 0.232) 5.949 2.283 ( 1.673 0.949 -1.526) 2.455 2.330 ( -0.494 0.308 -2.989) 3.045 2.468 ( 0.822 7.296 1.134) 7.429 2.589 ( -1.671 -3.821 1.004) 4.289 2.631 ( 2.901 -1.636 -2.465) 4.144 2.679 ( -0.917 -0.690 -8.275) 8.354 2.837 ( 1.290 0.352 2.707) 3.019 3.129 ( -4.695 -0.703 -0.269) 4.754 3.145 ( -6.288 1.079 -8.288) 10.459 3.266 ( 1.699 -0.320 -3.477) 3.883 3.375 ( -6.375 1.023 -8.003) 10.283 3.469 ( -2.733 5.041 0.358) 5.745 3.565 ( 3.845 -3.652 5.769) 7.836 3.664 ( 1.397 -0.904 -0.323) 1.695 3.719 ( 5.385 0.971 -2.760) 6.128 3.809 ( -0.986 1.564 4.114) 4.511 3.884 ( 4.755 0.455 2.162) 5.243 3.975 ( -1.668 -0.913 -0.650) 2.010 4.075 ( 0.596 2.225 2.233) 3.208 4.087 ( -0.536 -1.271 -0.797) 1.593 4.125 ( -0.685 -3.652 3.725) 5.261 4.246 ( 0.522 0.208 -1.816) 1.901 4.251 ( -0.605 -0.047 0.322) 0.687 4.434 ( -1.124 -0.380 -0.952) 1.521 4.531 ( 2.209 0.601 3.677) 4.331 4.892 ( 1.138 -0.234 -1.853) 2.187 4.919 ( 0.518 0.433 0.481) 0.829 5.526 ( -3.133 -0.384 -3.070) 4.404 5.650 ( 1.272 -0.404 2.624) 2.944 6.883 ( -3.285 -0.824 -2.728) 4.348 7.022 ( 3.300 -0.854 1.293) 3.645 8.601 ( -0.861 0.280 -0.537) 1.053 8.634 ( 0.546 0.245 0.588) 0.839 10.223 ( -0.280 1.867 -2.139) 2.853 10.266 ( 0.636 -2.809 0.959) 3.036 10.445 ( -2.022 1.133 0.610) 2.397 10.453 ( -0.971 0.446 -0.382) 1.135 10.993 ( -1.792 -0.626 1.097) 2.192 11.070 ( 4.082 -1.691 0.125) 4.420 13.037 ( -0.747 -0.386 -0.466) 0.961 13.053 ( -0.196 -0.385 -0.211) 0.481 ======================= Grid point 210 (103/116) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 8.332 0.505 -4.083) 9.292 1.180 ( 5.147 -1.906 -2.487) 6.026 1.328 ( -7.083 -5.107 3.987) 9.599 1.406 ( 6.083 -0.242 3.847) 7.201 1.487 ( 3.936 -2.138 5.498) 7.092 1.536 ( 8.368 -7.452 1.306) 11.281 1.663 ( -2.304 -0.324 14.551) 14.736 1.704 ( -5.402 -2.716 1.829) 6.317 1.769 ( 11.364 -4.505 4.356) 12.977 1.889 ( 8.108 -4.790 2.090) 9.646 2.072 ( -5.870 5.690 -3.995) 9.099 2.126 ( 1.295 2.811 5.090) 5.957 2.187 ( -0.646 -0.901 0.139) 1.117 2.319 ( 3.098 -1.326 3.503) 4.861 2.368 ( 2.981 2.812 0.943) 4.205 2.436 ( 2.700 6.316 2.012) 7.157 2.524 ( 1.801 1.692 -10.309) 10.601 2.607 ( -2.859 -0.248 -4.166) 5.059 2.681 ( 0.686 -4.849 -0.506) 4.924 2.810 ( -4.775 1.817 -2.031) 5.497 2.959 ( -7.289 2.459 -3.993) 8.667 3.066 ( -4.385 -1.221 -9.066) 10.144 3.200 ( -4.013 2.100 -1.357) 4.728 3.234 ( -0.554 -0.664 -2.909) 3.035 3.383 ( -1.612 2.985 -2.534) 4.235 3.700 ( 2.983 -1.897 -1.201) 3.733 3.715 ( 3.399 -2.961 5.895) 7.421 3.758 ( 2.533 3.338 0.973) 4.302 3.834 ( 2.632 1.457 1.333) 3.290 3.939 ( -1.495 -0.762 2.794) 3.259 3.993 ( 3.800 -0.926 -1.188) 4.088 4.074 ( -0.911 -0.917 0.833) 1.538 4.099 ( 0.909 -0.476 0.690) 1.236 4.176 ( -2.067 -3.180 4.605) 5.966 4.229 ( 0.790 0.941 -2.730) 2.994 4.236 ( -0.908 0.414 -0.627) 1.179 4.421 ( -0.604 -0.733 -0.176) 0.966 4.583 ( 0.822 1.956 3.830) 4.378 4.906 ( 1.993 0.162 -1.319) 2.395 4.923 ( 1.131 -0.380 -0.858) 1.470 5.451 ( -3.337 -0.397 -2.680) 4.298 5.689 ( 0.452 -0.550 1.986) 2.110 6.819 ( -2.423 -1.086 -2.878) 3.916 7.088 ( 2.681 -1.198 0.987) 3.098 8.582 ( -0.734 0.356 -0.411) 0.913 8.644 ( 0.368 0.285 0.504) 0.686 10.168 ( -1.115 2.646 -2.707) 3.946 10.314 ( 0.834 -3.068 0.919) 3.310 10.409 ( -2.178 0.881 0.598) 2.424 10.431 ( -1.143 0.060 0.183) 1.159 10.985 ( -1.076 -0.414 0.775) 1.389 11.152 ( 3.700 -1.981 0.635) 4.245 13.026 ( -0.581 -0.443 -0.196) 0.756 13.045 ( -0.625 -0.509 -0.647) 1.034 ======================= Grid point 211 (104/116) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 0.639 0.217 -1.461) 1.609 1.271 ( 10.514 3.147 -3.632) 11.560 1.330 ( -6.597 -7.390 3.791) 10.606 1.497 ( 1.145 -0.943 1.656) 2.223 1.576 ( 0.448 -3.484 4.570) 5.764 1.655 ( 0.534 -1.568 1.618) 2.316 1.683 ( 1.814 1.180 0.746) 2.290 1.785 ( -5.276 1.437 10.565) 11.896 1.869 ( 0.531 3.439 -5.473) 6.486 2.037 ( 8.863 -2.963 2.704) 9.728 2.100 ( 7.284 -5.371 3.380) 9.661 2.134 ( -1.935 -1.649 2.770) 3.760 2.232 ( 2.224 -2.125 3.150) 4.403 2.315 ( 0.846 6.238 -7.677) 9.927 2.358 ( -5.869 1.547 -1.558) 6.266 2.404 ( -0.260 3.171 -3.298) 4.582 2.531 ( 3.669 -2.873 -2.021) 5.079 2.572 ( 4.868 0.534 3.730) 6.156 2.660 ( -6.311 2.313 0.496) 6.740 2.738 ( 1.862 -0.641 -4.706) 5.102 2.825 ( -2.977 -0.759 -4.638) 5.563 2.893 ( -7.242 1.141 -0.963) 7.394 3.103 ( -3.535 1.813 -0.591) 4.016 3.266 ( 1.180 0.011 -0.148) 1.189 3.334 ( 0.364 0.197 -1.243) 1.310 3.745 ( 1.251 -0.664 0.085) 1.419 3.770 ( 1.990 1.356 0.263) 2.422 3.816 ( 1.306 -2.661 0.650) 3.035 3.872 ( 1.549 1.283 1.699) 2.632 3.931 ( -1.745 0.261 1.715) 2.460 4.031 ( 1.779 -0.382 -1.694) 2.485 4.087 ( -0.280 -1.474 0.707) 1.658 4.133 ( 1.223 -0.764 2.110) 2.555 4.193 ( -0.477 1.628 -2.529) 3.045 4.203 ( -2.812 -2.540 3.619) 5.240 4.218 ( 1.359 1.271 -2.277) 2.941 4.420 ( -0.237 -0.384 0.044) 0.453 4.596 ( -0.238 1.466 1.556) 2.151 4.909 ( 0.699 0.211 -0.925) 1.178 4.952 ( 1.402 -0.674 -0.064) 1.556 5.392 ( -1.688 -0.114 -1.205) 2.077 5.709 ( 0.035 -0.250 0.767) 0.807 6.779 ( -0.888 -0.496 -1.265) 1.623 7.132 ( 1.084 -0.579 0.407) 1.295 8.568 ( -0.289 0.156 -0.157) 0.364 8.650 ( 0.144 0.120 0.212) 0.283 10.114 ( -0.706 1.220 -1.200) 1.851 10.345 ( 0.266 -0.972 0.150) 1.019 10.382 ( -0.863 0.406 0.051) 0.955 10.426 ( -0.458 -0.457 0.557) 0.853 10.982 ( -0.358 -0.139 0.290) 0.481 11.209 ( 1.466 -0.798 0.306) 1.697 13.024 ( -0.053 -0.120 0.261) 0.292 13.033 ( -0.494 -0.301 -0.638) 0.861 ======================= Grid point 216 (105/116) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 4.633 0.000 -2.602) 5.313 1.143 ( 13.078 0.000 -3.079) 13.436 1.282 ( -9.113 -0.000 4.307) 10.079 1.415 ( 2.449 0.000 4.478) 5.104 1.461 ( 10.985 0.000 0.455) 10.994 1.464 ( 11.653 0.000 1.437) 11.741 1.640 ( -2.128 -0.000 14.112) 14.272 1.705 ( -3.694 -0.000 -0.230) 3.701 1.722 ( 10.568 0.000 8.607) 13.629 1.847 ( 6.104 0.000 3.989) 7.292 2.119 ( -3.409 -0.000 -2.993) 4.536 2.145 ( -7.414 -0.000 0.169) 7.416 2.221 ( 2.775 0.000 3.865) 4.758 2.266 ( 0.476 0.000 6.828) 6.845 2.400 ( 7.012 0.000 -0.489) 7.029 2.528 ( -1.239 -0.000 -0.564) 1.362 2.537 ( 0.215 0.000 -8.604) 8.606 2.590 ( 1.646 0.000 -0.612) 1.756 2.621 ( -0.291 -0.000 -3.658) 3.670 2.826 ( -3.976 -0.000 -2.739) 4.828 2.980 ( -7.788 -0.000 -3.058) 8.367 3.055 ( -3.717 -0.000 -8.378) 9.165 3.217 ( -0.862 -0.000 -4.203) 4.290 3.232 ( -2.300 -0.000 -2.833) 3.649 3.412 ( -3.391 -0.000 -2.705) 4.338 3.678 ( 2.235 0.000 7.487) 7.814 3.689 ( 3.673 0.000 -1.909) 4.140 3.803 ( 6.460 0.000 -1.226) 6.576 3.835 ( -1.070 -0.000 2.853) 3.047 3.930 ( -1.823 -0.000 3.360) 3.823 3.985 ( 4.202 0.000 -0.876) 4.292 4.070 ( -0.865 -0.000 0.822) 1.193 4.089 ( -1.946 -0.000 1.813) 2.660 4.145 ( 0.351 0.000 2.969) 2.989 4.237 ( 1.254 0.000 -2.819) 3.085 4.241 ( -0.787 -0.000 -0.353) 0.863 4.415 ( -0.468 -0.000 -0.187) 0.504 4.600 ( 0.640 0.000 4.530) 4.575 4.904 ( 2.603 0.000 -1.104) 2.827 4.925 ( 0.434 0.000 -1.292) 1.363 5.448 ( -3.203 -0.000 -2.561) 4.101 5.684 ( 0.554 0.000 2.058) 2.131 6.810 ( -2.158 -0.000 -2.713) 3.466 7.077 ( 3.109 0.000 0.703) 3.188 8.584 ( -0.846 -0.000 -0.463) 0.965 8.647 ( 0.303 0.000 0.430) 0.526 10.212 ( 0.161 0.000 -4.137) 4.141 10.266 ( 0.347 0.000 2.352) 2.378 10.418 ( -2.819 -0.000 0.862) 2.948 10.428 ( -1.596 -0.000 -0.473) 1.665 10.985 ( -0.710 -0.000 1.123) 1.329 11.133 ( 4.553 0.000 0.415) 4.572 13.023 ( -0.389 -0.000 -0.203) 0.439 13.041 ( -0.517 -0.000 -0.606) 0.797 ======================= Grid point 217 (106/116) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 1.009 1.706 -0.748) 2.118 1.212 ( -4.631 -4.982 5.117) 8.512 1.337 ( 12.469 2.825 -2.383) 13.005 1.468 ( -0.822 -1.691 2.394) 3.044 1.560 ( 1.873 1.496 2.867) 3.737 1.609 ( 4.661 -3.448 0.552) 5.824 1.708 ( 4.283 1.298 0.396) 4.493 1.804 ( -1.135 1.015 15.995) 16.067 1.951 ( -2.528 4.287 -3.459) 6.061 1.990 ( 10.787 -1.833 -0.903) 10.979 2.013 ( 8.049 -3.619 0.766) 8.859 2.069 ( -3.540 -4.159 3.015) 6.238 2.254 ( -0.816 3.348 1.707) 3.846 2.315 ( -2.001 -3.411 -2.674) 4.774 2.427 ( -1.590 4.020 -1.866) 4.709 2.479 ( -1.918 3.525 -0.757) 4.083 2.500 ( 4.620 0.561 -4.778) 6.670 2.565 ( 0.361 -2.014 0.391) 2.083 2.678 ( 2.048 -1.278 1.571) 2.880 2.699 ( -4.298 -1.032 -2.726) 5.193 2.830 ( -7.401 0.689 -12.468) 14.515 2.902 ( -3.017 -0.076 3.108) 4.332 3.145 ( -4.820 2.131 -1.138) 5.391 3.272 ( 4.288 0.395 1.168) 4.461 3.337 ( -2.421 0.055 -2.316) 3.351 3.738 ( 2.055 -0.125 1.559) 2.582 3.754 ( 0.192 -2.383 1.892) 3.049 3.819 ( 0.107 2.559 0.430) 2.597 3.878 ( 3.685 -0.841 -1.311) 4.001 3.944 ( -1.536 0.909 3.207) 3.670 4.024 ( 2.431 -0.360 -2.004) 3.171 4.069 ( -0.558 -0.015 2.381) 2.446 4.102 ( -0.863 -2.810 3.066) 4.248 4.167 ( -0.707 -1.058 0.668) 1.437 4.219 ( -0.135 1.283 -1.261) 1.804 4.232 ( 1.797 0.153 -2.938) 3.448 4.415 ( 0.269 -0.183 0.161) 0.363 4.619 ( -2.215 0.964 2.470) 3.455 4.915 ( 0.692 0.316 -1.596) 1.768 4.943 ( 2.436 -0.337 0.008) 2.460 5.391 ( -1.493 -0.042 -1.127) 1.871 5.706 ( 0.213 -0.144 1.053) 1.084 6.775 ( -0.068 -0.116 -1.016) 1.025 7.123 ( 2.060 -0.392 0.075) 2.098 8.570 ( -0.536 0.014 -0.297) 0.613 8.652 ( 0.009 0.041 0.087) 0.097 10.157 ( 0.042 3.036 -3.329) 4.505 10.312 ( 0.516 -2.635 2.044) 3.375 10.389 ( -1.521 0.329 0.332) 1.592 10.405 ( -1.363 -1.154 -0.138) 1.791 10.988 ( 0.307 0.501 0.540) 0.798 11.198 ( 3.034 -0.433 0.071) 3.066 13.023 ( 0.327 -0.038 0.312) 0.453 13.029 ( -0.215 -0.143 -0.613) 0.665 ======================= Grid point 218 (107/116) ======================= q-point: ( 0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 0.780 2.211 1.756) 2.929 1.227 ( -4.915 -1.963 4.209) 6.762 1.431 ( 5.999 3.519 -3.032) 7.587 1.500 ( 2.236 -1.449 -2.791) 3.859 1.594 ( 1.705 -1.081 1.010) 2.258 1.687 ( 4.763 1.739 -1.361) 5.250 1.707 ( -5.652 5.687 -2.774) 8.484 1.766 ( 1.958 0.269 -2.832) 3.453 1.871 ( -0.922 1.929 -0.147) 2.143 2.066 ( -2.468 0.194 -5.339) 5.885 2.101 ( -0.244 -2.150 -1.155) 2.453 2.169 ( -6.866 -0.818 -5.504) 8.837 2.216 ( -0.476 -3.319 10.196) 10.733 2.278 ( 2.475 0.191 -0.953) 2.659 2.344 ( 2.206 2.211 -0.692) 3.198 2.378 ( -5.131 -0.615 -0.810) 5.231 2.568 ( -4.934 0.003 -4.396) 6.608 2.582 ( -0.411 2.887 5.246) 6.003 2.622 ( 3.066 -1.502 -4.288) 5.482 2.705 ( 3.184 -3.739 6.757) 8.353 2.815 ( 1.214 -2.113 0.542) 2.496 2.905 ( 3.795 2.188 4.392) 6.203 3.095 ( 2.067 0.370 -0.345) 2.128 3.274 ( -0.923 0.898 0.859) 1.548 3.334 ( -0.492 0.159 0.690) 0.862 3.735 ( -2.926 -1.863 -0.162) 3.472 3.783 ( -0.365 2.256 1.777) 2.894 3.804 ( -2.231 -2.269 0.403) 3.208 3.891 ( -1.939 2.247 -3.987) 4.971 3.931 ( 3.084 0.323 -0.547) 3.149 4.032 ( -1.016 -0.391 0.396) 1.158 4.096 ( 0.428 -0.306 1.827) 1.902 4.139 ( -1.326 -0.160 -3.031) 3.313 4.156 ( -0.351 -2.705 3.677) 4.578 4.211 ( 1.080 0.813 0.151) 1.360 4.231 ( 2.198 0.559 -3.146) 3.878 4.426 ( 0.990 0.281 0.018) 1.030 4.583 ( -2.463 -0.112 -0.633) 2.545 4.910 ( -0.326 0.233 0.122) 0.418 4.963 ( -0.240 0.505 0.138) 0.576 5.394 ( 1.924 0.114 1.307) 2.328 5.712 ( 0.204 0.123 -0.387) 0.455 6.789 ( 1.789 0.618 1.591) 2.473 7.139 ( 0.170 0.185 -0.773) 0.812 8.565 ( -0.003 -0.250 -0.012) 0.250 8.648 ( -0.317 -0.124 -0.373) 0.505 10.124 ( 1.559 2.012 -1.188) 2.809 10.346 ( -0.224 -0.878 1.397) 1.665 10.378 ( 0.076 -0.079 0.098) 0.147 10.406 ( -0.216 -2.234 -0.518) 2.304 10.995 ( 1.199 1.142 -0.094) 1.658 11.221 ( 0.275 0.573 -0.614) 0.883 13.026 ( 0.476 0.113 -0.248) 0.548 13.038 ( 0.890 0.239 0.722) 1.171 ======================= Grid point 219 (108/116) ======================= q-point: (-0.43 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -1.847 5.274 2.996) 6.341 1.198 ( -2.454 0.814 3.298) 4.191 1.416 ( 1.446 3.427 -3.376) 5.024 1.431 ( -3.342 3.234 -5.903) 7.515 1.538 ( -1.233 4.808 -6.353) 8.062 1.641 ( -0.908 2.337 -2.315) 3.412 1.671 ( 0.897 2.201 -11.632) 11.872 1.762 ( 4.786 2.763 -3.852) 6.736 1.830 ( -4.498 2.212 -1.021) 5.115 1.958 ( -3.648 2.834 3.722) 5.932 2.027 ( -3.185 2.186 -4.945) 6.276 2.076 ( -2.421 -3.326 -0.526) 4.147 2.212 ( -4.704 0.861 0.846) 4.857 2.264 ( -4.881 -4.532 -0.781) 6.706 2.329 ( 0.058 -3.613 0.578) 3.659 2.384 ( -4.752 0.445 -6.849) 8.348 2.496 ( 1.989 -1.600 8.482) 8.858 2.608 ( -2.090 -0.196 5.895) 6.257 2.734 ( 0.228 1.424 1.304) 1.945 2.777 ( 7.173 -1.705 0.455) 7.387 2.908 ( 6.657 -3.386 6.018) 9.591 3.085 ( 7.501 0.477 8.572) 11.400 3.164 ( 5.248 -1.604 0.375) 5.501 3.256 ( -0.922 1.868 0.589) 2.165 3.335 ( -1.017 -2.332 2.764) 3.756 3.707 ( -2.369 -2.092 -0.282) 3.173 3.740 ( -2.763 2.485 -0.224) 3.723 3.770 ( -3.459 2.338 -6.695) 7.890 3.793 ( -3.367 -2.472 0.859) 4.265 3.947 ( -1.094 0.102 -1.930) 2.221 4.008 ( -1.512 0.672 0.548) 1.743 4.082 ( -1.561 -0.209 -2.705) 3.130 4.112 ( 0.303 0.952 0.933) 1.367 4.207 ( 1.133 -0.887 0.702) 1.601 4.219 ( 1.818 0.338 -3.104) 3.613 4.234 ( 0.976 0.734 1.274) 1.765 4.437 ( 1.106 1.006 -0.018) 1.495 4.549 ( -1.445 -1.755 -2.191) 3.157 4.902 ( -1.402 -0.056 1.249) 1.879 4.939 ( -1.494 1.163 0.078) 1.895 5.459 ( 3.607 0.514 2.982) 4.708 5.700 ( -0.181 0.650 -1.789) 1.912 6.842 ( 2.862 1.471 3.297) 4.607 7.109 ( -1.639 1.266 -1.541) 2.581 8.574 ( 0.503 -0.570 0.301) 0.818 8.638 ( -0.525 -0.406 -0.681) 0.950 10.148 ( 2.708 0.275 1.124) 2.944 10.347 ( -1.011 0.863 0.298) 1.362 10.393 ( 1.235 -0.928 -0.012) 1.544 10.416 ( 0.360 -1.692 -0.899) 1.950 11.004 ( 1.901 1.690 -0.435) 2.580 11.186 ( -2.283 1.980 -0.985) 3.179 13.035 ( 0.998 0.545 0.186) 1.152 13.056 ( 0.873 0.656 0.739) 1.319 ======================= Grid point 220 (109/116) ======================= q-point: (-0.29 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -0.529 7.954 3.007) 8.519 1.192 ( -1.705 4.098 3.194) 5.468 1.275 ( -6.272 6.734 -2.419) 9.515 1.368 ( -2.974 1.610 -3.866) 5.136 1.443 ( -0.266 3.630 -5.328) 6.453 1.472 ( -5.563 7.618 -3.659) 10.118 1.566 ( 3.738 2.849 -8.002) 9.280 1.711 ( 0.001 4.834 -0.891) 4.916 1.768 ( -5.451 6.527 -1.527) 8.640 1.873 ( 2.075 2.596 -2.148) 3.957 1.962 ( -2.955 -1.956 -0.425) 3.569 2.139 ( 2.878 -5.524 1.319) 6.367 2.166 ( -3.229 1.286 -2.670) 4.383 2.229 ( -3.156 -5.326 0.007) 6.191 2.308 ( -1.379 -2.232 -0.068) 2.624 2.364 ( 0.492 -5.153 -1.473) 5.382 2.593 ( 1.208 -0.691 6.476) 6.624 2.642 ( -0.602 -2.770 1.707) 3.309 2.725 ( -0.071 3.738 2.231) 4.354 2.842 ( 0.576 1.468 -2.930) 3.327 3.113 ( 5.545 -2.521 9.705) 11.458 3.152 ( 3.599 2.044 -0.161) 4.143 3.274 ( 0.218 0.453 3.197) 3.236 3.346 ( 6.857 -2.252 7.414) 10.347 3.380 ( 1.437 -5.185 -0.789) 5.438 3.612 ( -4.646 2.031 -5.973) 7.834 3.694 ( -0.600 0.936 -1.593) 1.943 3.696 ( -3.133 -0.020 3.134) 4.432 3.770 ( -0.889 -2.771 -2.210) 3.654 3.869 ( -5.712 -1.364 -2.171) 6.261 3.995 ( 0.465 1.140 -0.097) 1.235 4.048 ( -1.191 -1.326 -2.062) 2.726 4.119 ( 0.616 2.023 1.750) 2.745 4.180 ( 1.218 2.432 -4.890) 5.596 4.242 ( 0.157 -0.058 1.832) 1.840 4.253 ( 0.731 0.282 0.153) 0.798 4.446 ( 1.042 0.994 0.626) 1.570 4.515 ( -1.635 -1.080 -2.543) 3.210 4.896 ( -1.083 0.025 1.500) 1.850 4.915 ( -0.722 0.255 -0.281) 0.815 5.537 ( 3.207 0.877 3.299) 4.684 5.661 ( -1.113 0.953 -2.668) 3.044 6.906 ( 3.177 1.866 3.271) 4.927 7.046 ( -2.679 1.855 -1.933) 3.789 8.593 ( 0.763 -0.707 0.527) 1.166 8.627 ( -0.620 -0.609 -0.713) 1.124 10.207 ( 2.292 -0.167 2.382) 3.310 10.307 ( -1.594 2.006 -1.399) 2.920 10.422 ( 1.524 -1.461 -0.657) 2.211 10.432 ( 0.213 -1.837 0.256) 1.867 11.017 ( 2.429 2.138 -0.418) 3.262 11.111 ( -3.484 2.919 -0.689) 4.597 13.048 ( 0.972 0.860 0.396) 1.357 13.064 ( 0.276 0.878 0.317) 0.973 ======================= Grid point 221 (110/116) ======================= q-point: (-0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -4.539 8.743 -2.536) 10.172 1.048 ( 4.539 8.743 2.536) 10.172 1.201 ( -4.192 8.634 -2.417) 9.897 1.201 ( 4.192 8.634 2.417) 9.897 1.398 ( -2.070 -0.810 -1.027) 2.449 1.398 ( 2.070 -0.810 1.027) 2.449 1.600 ( -5.614 4.075 -1.233) 7.045 1.600 ( 5.614 4.075 1.233) 7.045 1.784 ( -9.889 -1.400 -0.428) 9.997 1.784 ( 9.889 -1.400 0.428) 9.997 2.026 ( -6.603 3.262 -3.758) 8.268 2.026 ( 6.603 3.262 3.758) 8.268 2.228 ( 0.931 -4.845 -1.874) 5.278 2.228 ( -0.931 -4.845 1.874) 5.278 2.378 ( -2.215 -4.912 -2.464) 5.925 2.378 ( 2.215 -4.912 2.464) 5.925 2.633 ( 1.519 2.790 -1.734) 3.620 2.633 ( -1.519 2.790 1.734) 3.620 2.766 ( -1.040 0.113 -7.095) 7.172 2.766 ( 1.040 0.113 7.095) 7.172 3.206 ( 5.863 0.050 -4.724) 7.529 3.206 ( -5.863 0.050 4.724) 7.529 3.341 ( -5.560 -1.337 -6.120) 8.376 3.341 ( 5.560 -1.337 6.120) 8.376 3.510 ( -3.401 -1.246 -3.592) 5.101 3.510 ( 3.401 -1.246 3.592) 5.101 3.681 ( 2.538 0.556 -2.009) 3.284 3.681 ( -2.538 0.556 2.009) 3.284 3.793 ( -1.069 -1.978 -0.356) 2.276 3.793 ( 1.069 -1.978 0.356) 2.276 4.017 ( -1.049 -0.721 -2.375) 2.695 4.017 ( 1.049 -0.721 2.375) 2.695 4.127 ( -0.073 2.784 -2.719) 3.892 4.127 ( 0.073 2.784 2.719) 3.892 4.253 ( 0.350 0.222 -1.001) 1.083 4.253 ( -0.350 0.222 1.001) 1.083 4.472 ( -1.640 0.130 -1.875) 2.495 4.472 ( 1.640 0.130 1.875) 2.495 4.902 ( -0.000 -0.106 -1.392) 1.396 4.902 ( 0.000 -0.106 1.392) 1.396 5.601 ( -2.191 0.800 -3.059) 3.847 5.601 ( 2.191 0.800 3.059) 3.847 6.967 ( -3.186 1.604 -2.234) 4.209 6.967 ( 3.186 1.604 2.234) 4.209 8.615 ( -0.736 -0.558 -0.618) 1.111 8.615 ( 0.736 -0.558 0.618) 1.111 10.253 ( -1.205 1.058 -2.100) 2.642 10.253 ( 1.205 1.058 2.100) 2.642 10.448 ( 0.850 -1.761 -1.322) 2.360 10.448 ( -0.850 -1.761 1.322) 2.360 11.035 ( -2.163 2.402 -0.251) 3.242 11.035 ( 2.163 2.402 0.251) 3.242 13.055 ( -0.428 0.775 -0.254) 0.921 13.055 ( 0.428 0.775 0.254) 0.921 ======================= Grid point 225 (111/116) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 1.659 0.000 -0.185) 1.669 1.206 ( 0.112 0.000 5.813) 5.815 1.460 ( -0.061 -0.000 0.541) 0.544 1.461 ( 4.966 0.000 -2.612) 5.611 1.595 ( 1.556 0.000 -3.577) 3.901 1.702 ( 6.652 0.000 0.622) 6.681 1.764 ( -0.175 -0.000 0.292) 0.340 1.793 ( -5.665 -0.000 0.129) 5.667 1.888 ( 0.958 0.000 -5.366) 5.451 2.061 ( 0.062 0.000 -5.464) 5.464 2.071 ( -1.990 -0.000 -0.030) 1.990 2.161 ( 5.213 0.000 9.172) 10.550 2.165 ( -4.525 -0.000 -1.332) 4.717 2.290 ( -3.391 -0.000 -5.060) 6.091 2.370 ( -4.824 -0.000 -0.990) 4.925 2.378 ( -0.445 -0.000 -3.089) 3.121 2.568 ( -5.876 -0.000 -1.319) 6.022 2.612 ( -0.134 -0.000 2.810) 2.813 2.622 ( 2.573 0.000 -3.280) 4.168 2.653 ( 6.451 0.000 4.891) 8.096 2.794 ( 2.341 0.000 2.915) 3.738 2.926 ( 0.805 0.000 3.909) 3.991 3.101 ( 1.202 0.000 -1.066) 1.607 3.286 ( -2.068 -0.000 0.643) 2.166 3.335 ( 0.993 0.000 0.857) 1.312 3.711 ( -3.701 -0.000 1.379) 3.950 3.784 ( -2.468 -0.000 0.035) 2.468 3.810 ( 0.223 0.000 1.456) 1.473 3.908 ( -4.267 -0.000 -1.733) 4.606 3.939 ( 5.356 0.000 -2.097) 5.752 4.026 ( -0.705 -0.000 -0.783) 1.053 4.089 ( -0.033 -0.000 2.449) 2.449 4.131 ( 1.318 0.000 4.406) 4.599 4.134 ( -1.159 -0.000 -3.315) 3.512 4.222 ( 1.471 0.000 -4.021) 4.281 4.233 ( 0.899 0.000 0.803) 1.205 4.428 ( 1.332 0.000 0.027) 1.333 4.584 ( -3.443 -0.000 -0.429) 3.470 4.913 ( -0.114 -0.000 -0.199) 0.230 4.967 ( 0.262 0.000 0.170) 0.312 5.395 ( 2.027 0.000 1.354) 2.438 5.713 ( 0.316 0.000 -0.214) 0.382 6.795 ( 2.130 0.000 1.761) 2.764 7.140 ( 0.760 0.000 -0.933) 1.203 8.562 ( -0.129 -0.000 -0.082) 0.153 8.647 ( -0.396 -0.000 -0.446) 0.596 10.151 ( 1.991 0.000 -3.265) 3.824 10.328 ( -0.705 -0.000 3.182) 3.259 10.381 ( -0.119 -0.000 0.089) 0.149 10.382 ( -0.060 -0.000 -0.470) 0.473 11.007 ( 1.419 0.000 -0.052) 1.420 11.226 ( 1.030 0.000 -0.749) 1.273 13.027 ( 0.657 0.000 -0.247) 0.702 13.040 ( 1.071 0.000 0.767) 1.318 ======================= Grid point 226 (112/116) ======================= q-point: ( 0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 1.561 0.783 1.627) 2.387 1.251 ( 1.938 5.165 1.245) 5.656 1.443 ( 1.437 1.355 -5.914) 6.235 1.476 ( 1.465 0.810 -6.491) 6.704 1.592 ( 0.674 -5.342 -0.179) 5.387 1.622 ( -5.946 3.770 -2.847) 7.595 1.718 ( 1.163 2.923 -8.270) 8.848 1.803 ( -1.276 2.584 -1.057) 3.069 1.856 ( -1.139 0.067 -1.059) 1.557 2.015 ( -2.097 -1.119 -1.250) 2.685 2.025 ( -1.121 0.781 -3.386) 3.651 2.060 ( 1.474 2.536 -0.585) 2.991 2.164 ( -5.801 -5.719 -4.331) 9.225 2.223 ( -6.762 0.389 5.950) 9.015 2.344 ( -2.837 3.521 0.294) 4.531 2.393 ( -5.084 0.797 -6.460) 8.259 2.449 ( 4.614 -4.625 1.914) 6.807 2.628 ( -1.333 3.038 9.910) 10.451 2.718 ( -5.123 -2.704 2.336) 6.246 2.773 ( 6.743 0.634 -1.624) 6.964 2.862 ( 9.124 -1.784 8.495) 12.593 3.075 ( 10.700 -0.969 3.627) 11.340 3.157 ( 3.709 0.197 3.337) 4.993 3.281 ( -1.084 0.718 2.009) 2.393 3.317 ( -3.022 0.030 0.700) 3.102 3.681 ( -2.132 -1.060 0.532) 2.440 3.731 ( -2.552 -1.556 -2.891) 4.158 3.799 ( -3.517 1.980 2.573) 4.786 3.802 ( -4.797 0.852 -4.617) 6.713 3.945 ( -3.196 -0.233 -2.357) 3.979 4.012 ( 0.941 -0.064 -0.796) 1.234 4.075 ( -1.650 -0.378 -4.248) 4.573 4.119 ( 0.768 -0.009 1.880) 2.031 4.194 ( 1.946 -0.381 2.010) 2.824 4.207 ( 1.305 -0.909 -3.010) 3.404 4.254 ( 0.773 0.898 1.401) 1.835 4.449 ( 1.654 0.424 -0.268) 1.728 4.533 ( -1.881 -0.266 -1.391) 2.354 4.904 ( -1.229 0.192 0.898) 1.534 4.954 ( -1.258 0.521 -0.374) 1.412 5.466 ( 3.801 0.238 3.250) 5.007 5.708 ( 0.075 0.272 -1.603) 1.628 6.861 ( 3.057 0.694 3.698) 4.847 7.124 ( -0.711 0.491 -1.934) 2.118 8.566 ( 0.337 -0.297 0.225) 0.502 8.633 ( -0.661 -0.199 -0.831) 1.080 10.165 ( 3.888 1.123 -1.695) 4.388 10.340 ( -1.888 -1.123 2.189) 3.101 10.386 ( 0.731 0.023 0.175) 0.752 10.391 ( 0.739 -0.837 -0.315) 1.160 11.028 ( 2.272 0.929 -0.383) 2.484 11.210 ( -1.370 0.813 -1.239) 2.018 13.042 ( 1.318 0.240 0.185) 1.353 13.064 ( 1.078 0.299 0.812) 1.383 ======================= Grid point 227 (113/116) ======================= q-point: (-0.43 0.29 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 1.775 4.691 -1.107) 5.136 1.234 ( 0.837 2.821 0.761) 3.039 1.383 ( 0.892 3.393 -5.322) 6.374 1.398 ( -2.030 5.163 -1.488) 5.744 1.495 ( -2.035 3.839 -4.945) 6.582 1.580 ( -3.347 2.669 -3.291) 5.400 1.626 ( 0.467 4.525 -5.203) 6.911 1.759 ( 3.724 0.318 -1.672) 4.094 1.830 ( -5.546 -3.765 -0.953) 6.771 1.909 ( -6.379 8.234 0.564) 10.431 2.037 ( 1.584 3.390 1.628) 4.080 2.068 ( -0.042 -1.262 1.230) 1.763 2.137 ( -2.707 -1.212 0.385) 2.991 2.169 ( 0.084 -1.719 -0.193) 1.732 2.268 ( -1.650 -4.256 -2.792) 5.351 2.321 ( -1.907 2.266 -1.252) 3.216 2.550 ( 1.559 -7.388 -1.189) 7.643 2.581 ( -4.641 -1.640 4.374) 6.585 2.775 ( 1.891 3.132 4.121) 5.511 2.867 ( 4.949 0.257 -1.320) 5.129 3.075 ( 4.145 -1.565 11.521) 12.344 3.195 ( 0.880 3.034 -0.305) 3.174 3.268 ( 5.647 -1.307 2.301) 6.236 3.310 ( -1.099 -3.171 0.213) 3.363 3.316 ( 5.848 -1.193 5.649) 8.218 3.638 ( -4.516 1.217 -6.924) 8.356 3.674 ( -0.365 -0.837 0.244) 0.946 3.712 ( -1.956 -1.738 -1.844) 3.201 3.749 ( -3.145 1.455 1.522) 3.785 3.844 ( -6.676 -1.402 -2.354) 7.216 4.005 ( -0.680 0.190 -0.670) 0.974 4.027 ( -0.703 -1.249 -3.106) 3.420 4.143 ( 0.658 0.954 2.025) 2.333 4.195 ( 1.155 -0.261 -3.879) 4.056 4.244 ( 1.624 0.055 1.040) 1.929 4.265 ( 0.010 1.165 1.396) 1.818 4.463 ( 1.101 0.933 0.110) 1.447 4.503 ( -0.925 -0.311 -1.396) 1.703 4.897 ( -0.960 0.169 1.518) 1.804 4.924 ( -0.941 0.645 -0.876) 1.438 5.551 ( 3.264 0.719 3.665) 4.960 5.677 ( -0.864 0.785 -2.727) 2.966 6.936 ( 2.972 1.510 4.000) 5.207 7.074 ( -1.825 1.434 -2.680) 3.545 8.581 ( 0.653 -0.646 0.522) 1.057 8.617 ( -0.725 -0.547 -0.878) 1.263 10.213 ( 4.174 0.694 0.094) 4.232 10.324 ( -2.863 -0.095 0.508) 2.909 10.402 ( 0.908 -0.737 -0.087) 1.173 10.407 ( 0.452 -0.967 -0.048) 1.069 11.053 ( 2.854 1.869 -0.202) 3.417 11.154 ( -2.941 1.971 -1.009) 3.681 13.061 ( 1.245 0.682 0.330) 1.458 13.078 ( 0.373 0.718 0.433) 0.917 ======================= Grid point 228 (114/116) ======================= q-point: (-0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -1.669 5.453 -2.681) 6.302 1.187 ( 1.669 5.453 2.681) 6.302 1.322 ( -1.182 6.372 -2.949) 7.120 1.322 ( 1.182 6.372 2.949) 7.120 1.432 ( -1.409 5.029 -0.497) 5.246 1.432 ( 1.409 5.029 0.497) 5.246 1.683 ( -8.998 3.520 -1.308) 9.750 1.683 ( 8.998 3.520 1.308) 9.750 1.781 ( 2.306 3.603 -3.590) 5.585 1.781 ( -2.306 3.603 3.590) 5.585 2.083 ( -3.133 0.299 -2.664) 4.123 2.083 ( 3.133 0.299 2.664) 4.123 2.145 ( -2.388 -1.660 -1.727) 3.382 2.145 ( 2.388 -1.660 1.727) 3.382 2.296 ( -1.415 -4.537 -1.383) 4.949 2.296 ( 1.415 -4.537 1.383) 4.949 2.609 ( 1.413 -5.257 -2.567) 6.018 2.609 ( -1.413 -5.257 2.567) 6.018 2.815 ( -1.578 4.962 -5.678) 7.703 2.815 ( 1.578 4.962 5.678) 7.703 3.201 ( 4.048 -0.813 -7.328) 8.411 3.201 ( -4.048 -0.813 7.328) 8.411 3.315 ( -1.816 -1.651 -3.820) 4.541 3.315 ( 1.816 -1.651 3.820) 4.541 3.492 ( -6.080 -0.711 -5.334) 8.120 3.492 ( 6.080 -0.711 5.334) 8.120 3.688 ( 1.709 0.064 -3.557) 3.947 3.688 ( -1.709 0.064 3.557) 3.947 3.758 ( -3.203 -1.942 -1.457) 4.020 3.758 ( 3.203 -1.942 1.457) 4.020 4.006 ( 0.356 -0.768 -2.257) 2.410 4.006 ( -0.356 -0.768 2.257) 2.410 4.164 ( 0.103 1.402 -3.346) 3.630 4.164 ( -0.103 1.402 3.346) 3.630 4.261 ( 0.281 0.712 -0.823) 1.124 4.261 ( -0.281 0.712 0.823) 1.124 4.477 ( -1.000 0.481 -1.115) 1.573 4.477 ( 1.000 0.481 1.115) 1.573 4.903 ( -0.019 0.221 -1.313) 1.331 4.903 ( 0.019 0.221 1.313) 1.331 5.617 ( -2.062 1.047 -3.303) 4.032 5.617 ( 2.062 1.047 3.303) 4.032 6.998 ( -2.623 1.997 -3.112) 4.533 6.998 ( 2.623 1.997 3.112) 4.533 8.604 ( -0.735 -0.781 -0.711) 1.287 8.604 ( 0.735 -0.781 0.711) 1.287 10.270 ( -1.767 0.805 -2.216) 2.946 10.270 ( 1.767 0.805 2.216) 2.946 10.419 ( 0.560 -1.459 -0.640) 1.688 10.419 ( -0.560 -1.459 0.640) 1.688 11.080 ( -3.016 2.665 -0.393) 4.044 11.080 ( 3.016 2.665 0.393) 4.044 13.071 ( -0.478 0.968 -0.146) 1.090 13.071 ( 0.478 0.968 0.146) 1.090 ======================= Grid point 234 (115/116) ======================= q-point: ( 0.43 -0.57 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -0.621 -0.000 2.574) 2.647 1.264 ( 1.285 0.000 -8.391) 8.489 1.406 ( 4.087 0.000 -8.894) 9.788 1.488 ( -1.469 -0.000 -0.718) 1.635 1.538 ( -1.778 -0.000 -0.072) 1.779 1.565 ( -0.130 -0.000 0.802) 0.812 1.693 ( -5.671 -0.000 -3.633) 6.735 1.733 ( 6.510 0.000 -6.010) 8.860 1.793 ( -4.632 -0.000 2.077) 5.076 1.975 ( -2.057 -0.000 5.245) 5.634 2.022 ( -3.770 -0.000 -3.336) 5.034 2.090 ( -1.127 -0.000 -3.725) 3.892 2.130 ( 3.435 0.000 -0.298) 3.448 2.191 ( -5.689 -0.000 4.567) 7.295 2.218 ( 0.658 0.000 0.796) 1.032 2.405 ( 1.428 0.000 -0.194) 1.441 2.421 ( -1.391 -0.000 -4.443) 4.655 2.562 ( -8.155 -0.000 0.136) 8.156 2.832 ( 6.147 0.000 6.990) 9.308 2.836 ( 4.171 0.000 0.257) 4.179 3.065 ( 3.662 0.000 10.896) 11.494 3.233 ( 1.793 0.000 -0.391) 1.835 3.257 ( 5.457 0.000 3.746) 6.619 3.267 ( -1.408 -0.000 -0.311) 1.441 3.310 ( 4.653 0.000 3.928) 6.090 3.648 ( -2.765 -0.000 -5.952) 6.563 3.671 ( -0.213 -0.000 -2.939) 2.946 3.689 ( -3.763 -0.000 0.948) 3.881 3.768 ( -3.693 -0.000 1.074) 3.846 3.830 ( -6.883 -0.000 -2.703) 7.395 4.009 ( -0.241 -0.000 -1.569) 1.588 4.012 ( -1.246 -0.000 -2.978) 3.229 4.151 ( 0.621 0.000 2.133) 2.222 4.190 ( 1.365 0.000 -3.138) 3.422 4.244 ( 2.200 0.000 0.943) 2.393 4.277 ( -0.431 -0.000 1.728) 1.781 4.471 ( 1.173 0.000 -0.092) 1.177 4.502 ( -0.657 -0.000 -1.130) 1.307 4.899 ( -0.973 -0.000 1.533) 1.816 4.930 ( -0.951 -0.000 -1.216) 1.543 5.557 ( 3.278 0.000 3.846) 5.054 5.684 ( -0.738 -0.000 -2.753) 2.850 6.949 ( 2.854 0.000 4.345) 5.198 7.087 ( -1.416 -0.000 -3.001) 3.319 8.575 ( 0.609 0.000 0.522) 0.802 8.612 ( -0.777 -0.000 -0.954) 1.230 10.221 ( 5.114 0.000 -2.005) 5.493 10.318 ( -3.411 -0.000 2.310) 4.120 10.398 ( 0.952 0.000 -0.413) 1.038 10.400 ( 0.226 0.000 0.587) 0.629 11.069 ( 2.948 0.000 -0.179) 2.954 11.170 ( -2.732 -0.000 -1.118) 2.952 13.067 ( 1.363 0.000 0.309) 1.398 13.084 ( 0.417 0.000 0.478) 0.634 ======================= Grid point 236 (116/116) ======================= q-point: (-0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 1.382 -0.075 -4.712) 4.911 1.215 ( -1.382 -0.075 4.712) 4.911 1.415 ( -1.055 2.964 -0.161) 3.150 1.415 ( 1.055 2.964 0.161) 3.150 1.527 ( -2.885 5.519 -2.379) 6.667 1.527 ( 2.885 5.519 2.379) 6.667 1.682 ( -5.112 -1.442 -1.687) 5.574 1.682 ( 5.112 -1.442 1.687) 5.574 1.880 ( -6.728 4.074 -1.759) 8.059 1.880 ( 6.728 4.074 1.759) 8.059 2.017 ( 0.820 -2.903 -2.828) 4.135 2.017 ( -0.820 -2.903 2.828) 4.135 2.170 ( 2.217 -1.042 -2.916) 3.809 2.170 ( -2.217 -1.042 2.916) 3.809 2.290 ( -3.743 5.343 -3.603) 7.453 2.290 ( 3.743 5.343 3.603) 7.453 2.496 ( -0.845 -7.304 -1.676) 7.541 2.496 ( 0.845 -7.304 1.676) 7.541 2.886 ( -1.348 2.789 -3.171) 4.433 2.886 ( 1.348 2.789 3.171) 4.433 3.181 ( 0.469 -1.152 -8.933) 9.019 3.181 ( -0.469 -1.152 8.933) 9.019 3.296 ( -0.612 -0.555 -1.210) 1.465 3.296 ( 0.612 -0.555 1.210) 1.465 3.486 ( -7.912 -0.084 -6.567) 10.283 3.486 ( 7.912 -0.084 6.567) 10.283 3.682 ( 3.051 -0.478 -3.184) 4.436 3.682 ( -3.051 -0.478 3.184) 4.436 3.739 ( -0.196 -0.377 -2.364) 2.402 3.739 ( 0.196 -0.377 2.364) 2.402 3.994 ( 0.180 -0.552 -1.032) 1.184 3.994 ( -0.180 -0.552 1.032) 1.184 4.175 ( 0.290 0.208 -2.654) 2.678 4.175 ( -0.290 0.208 2.654) 2.678 4.272 ( 1.275 0.470 -0.783) 1.569 4.272 ( -1.275 0.470 0.783) 1.569 4.484 ( -0.605 0.334 -0.627) 0.933 4.484 ( 0.605 0.334 0.627) 0.933 4.907 ( -0.051 0.206 -1.669) 1.682 4.907 ( 0.051 0.206 1.669) 1.682 5.631 ( -1.984 0.477 -3.512) 4.062 5.631 ( 1.984 0.477 3.512) 4.062 7.023 ( -2.183 0.887 -3.792) 4.465 7.023 ( 2.183 0.887 3.792) 4.465 8.593 ( -0.741 -0.379 -0.785) 1.145 8.593 ( 0.741 -0.379 0.785) 1.145 10.277 ( 0.910 0.087 -1.597) 1.840 10.277 ( -0.910 0.087 1.597) 1.840 10.405 ( 0.389 -0.322 -0.545) 0.743 10.405 ( -0.389 -0.322 0.545) 0.743 11.112 ( -3.187 1.099 -0.445) 3.400 11.112 ( 3.187 1.099 0.445) 3.400 13.083 ( -0.587 0.431 -0.036) 0.729 13.083 ( 0.587 0.431 0.036) 0.729 =================== 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 3/21168 10.0 216.876 229.609 152.806 -0.000 14.201 -0.000 3/21168 20.0 35.890 35.426 25.874 -0.000 3.000 -0.000 3/21168 30.0 16.436 15.331 12.618 -0.000 1.501 -0.000 3/21168 40.0 10.376 9.364 8.334 -0.000 1.022 -0.000 3/21168 50.0 7.585 6.697 6.282 -0.000 0.791 -0.000 3/21168 60.0 6.004 5.220 5.076 -0.000 0.652 -0.000 3/21168 70.0 4.987 4.287 4.276 -0.000 0.558 -0.000 3/21168 80.0 4.275 3.646 3.704 -0.000 0.489 -0.000 3/21168 90.0 3.748 3.177 3.271 -0.000 0.436 -0.000 3/21168 100.0 3.341 2.820 2.932 -0.000 0.393 -0.000 3/21168 110.0 3.017 2.537 2.658 -0.000 0.358 -0.000 3/21168 120.0 2.751 2.308 2.432 -0.000 0.328 -0.000 3/21168 130.0 2.530 2.118 2.242 -0.000 0.303 -0.000 3/21168 140.0 2.343 1.958 2.081 -0.000 0.282 -0.000 3/21168 150.0 2.182 1.821 1.941 -0.000 0.263 -0.000 3/21168 160.0 2.042 1.703 1.819 -0.000 0.247 -0.000 3/21168 170.0 1.919 1.600 1.712 -0.000 0.232 -0.000 3/21168 180.0 1.811 1.508 1.617 -0.000 0.219 -0.000 3/21168 190.0 1.714 1.427 1.532 -0.000 0.208 -0.000 3/21168 200.0 1.628 1.355 1.455 -0.000 0.197 -0.000 3/21168 210.0 1.549 1.289 1.386 -0.000 0.188 -0.000 3/21168 220.0 1.478 1.230 1.323 -0.000 0.179 -0.000 3/21168 230.0 1.414 1.176 1.266 -0.000 0.171 -0.000 3/21168 240.0 1.355 1.126 1.213 -0.000 0.164 -0.000 3/21168 250.0 1.300 1.081 1.165 -0.000 0.158 -0.000 3/21168 260.0 1.250 1.039 1.120 -0.000 0.152 -0.000 3/21168 270.0 1.204 1.001 1.079 -0.000 0.146 -0.000 3/21168 280.0 1.161 0.965 1.041 -0.000 0.141 -0.000 3/21168 290.0 1.120 0.931 1.005 -0.000 0.136 -0.000 3/21168 300.0 1.083 0.900 0.972 -0.000 0.131 -0.000 3/21168 310.0 1.048 0.871 0.940 -0.000 0.127 -0.000 3/21168 320.0 1.015 0.844 0.911 -0.000 0.123 -0.000 3/21168 330.0 0.985 0.819 0.884 -0.000 0.119 -0.000 3/21168 340.0 0.956 0.795 0.858 -0.000 0.116 -0.000 3/21168 350.0 0.929 0.772 0.834 -0.000 0.112 -0.000 3/21168 360.0 0.903 0.750 0.811 -0.000 0.109 -0.000 3/21168 370.0 0.878 0.730 0.789 -0.000 0.106 -0.000 3/21168 380.0 0.855 0.711 0.768 -0.000 0.103 -0.000 3/21168 390.0 0.833 0.693 0.748 -0.000 0.101 -0.000 3/21168 400.0 0.813 0.676 0.730 -0.000 0.098 -0.000 3/21168 410.0 0.793 0.659 0.712 -0.000 0.096 -0.000 3/21168 420.0 0.774 0.644 0.695 -0.000 0.093 -0.000 3/21168 430.0 0.756 0.629 0.679 -0.000 0.091 -0.000 3/21168 440.0 0.739 0.614 0.664 -0.000 0.089 -0.000 3/21168 450.0 0.723 0.601 0.649 -0.000 0.087 -0.000 3/21168 460.0 0.707 0.588 0.635 -0.000 0.085 -0.000 3/21168 470.0 0.692 0.575 0.622 -0.000 0.083 -0.000 3/21168 480.0 0.678 0.564 0.609 -0.000 0.082 -0.000 3/21168 490.0 0.664 0.552 0.596 -0.000 0.080 -0.000 3/21168 500.0 0.651 0.541 0.585 -0.000 0.078 -0.000 3/21168 510.0 0.638 0.531 0.573 -0.000 0.077 -0.000 3/21168 520.0 0.626 0.520 0.562 -0.000 0.075 -0.000 3/21168 530.0 0.614 0.511 0.552 -0.000 0.074 -0.000 3/21168 540.0 0.603 0.501 0.541 -0.000 0.073 -0.000 3/21168 550.0 0.592 0.492 0.532 -0.000 0.071 -0.000 3/21168 560.0 0.581 0.483 0.522 -0.000 0.070 -0.000 3/21168 570.0 0.571 0.475 0.513 -0.000 0.069 -0.000 3/21168 580.0 0.561 0.467 0.504 -0.000 0.068 -0.000 3/21168 590.0 0.552 0.459 0.496 -0.000 0.066 -0.000 3/21168 600.0 0.542 0.451 0.488 -0.000 0.065 -0.000 3/21168 610.0 0.534 0.444 0.480 -0.000 0.064 -0.000 3/21168 620.0 0.525 0.437 0.472 -0.000 0.063 -0.000 3/21168 630.0 0.517 0.430 0.464 -0.000 0.062 -0.000 3/21168 640.0 0.509 0.423 0.457 -0.000 0.061 -0.000 3/21168 650.0 0.501 0.417 0.450 -0.000 0.060 -0.000 3/21168 660.0 0.493 0.411 0.443 -0.000 0.059 -0.000 3/21168 670.0 0.486 0.404 0.437 -0.000 0.058 -0.000 3/21168 680.0 0.479 0.399 0.430 -0.000 0.058 -0.000 3/21168 690.0 0.472 0.393 0.424 -0.000 0.057 -0.000 3/21168 700.0 0.465 0.387 0.418 -0.000 0.056 -0.000 3/21168 710.0 0.459 0.382 0.412 -0.000 0.055 -0.000 3/21168 720.0 0.452 0.376 0.407 -0.000 0.054 -0.000 3/21168 730.0 0.446 0.371 0.401 -0.000 0.054 -0.000 3/21168 740.0 0.440 0.366 0.396 -0.000 0.053 -0.000 3/21168 750.0 0.434 0.362 0.390 -0.000 0.052 -0.000 3/21168 760.0 0.429 0.357 0.385 -0.000 0.052 -0.000 3/21168 770.0 0.423 0.352 0.380 -0.000 0.051 -0.000 3/21168 780.0 0.418 0.348 0.375 -0.000 0.050 -0.000 3/21168 790.0 0.412 0.343 0.371 -0.000 0.050 -0.000 3/21168 800.0 0.407 0.339 0.366 -0.000 0.049 -0.000 3/21168 810.0 0.402 0.335 0.362 -0.000 0.048 -0.000 3/21168 820.0 0.397 0.331 0.357 -0.000 0.048 -0.000 3/21168 830.0 0.393 0.327 0.353 -0.000 0.047 -0.000 3/21168 840.0 0.388 0.323 0.349 -0.000 0.047 -0.000 3/21168 850.0 0.383 0.319 0.345 -0.000 0.046 -0.000 3/21168 860.0 0.379 0.315 0.341 -0.000 0.046 -0.000 3/21168 870.0 0.375 0.312 0.337 -0.000 0.045 -0.000 3/21168 880.0 0.370 0.308 0.333 -0.000 0.044 -0.000 3/21168 890.0 0.366 0.305 0.329 -0.000 0.044 -0.000 3/21168 900.0 0.362 0.302 0.326 -0.000 0.043 -0.000 3/21168 910.0 0.358 0.298 0.322 -0.000 0.043 -0.000 3/21168 920.0 0.354 0.295 0.319 -0.000 0.043 -0.000 3/21168 930.0 0.350 0.292 0.315 -0.000 0.042 -0.000 3/21168 940.0 0.347 0.289 0.312 -0.000 0.042 -0.000 3/21168 950.0 0.343 0.286 0.308 -0.000 0.041 -0.000 3/21168 960.0 0.340 0.283 0.305 -0.000 0.041 -0.000 3/21168 970.0 0.336 0.280 0.302 -0.000 0.040 -0.000 3/21168 980.0 0.333 0.277 0.299 -0.000 0.040 -0.000 3/21168 990.0 0.329 0.274 0.296 -0.000 0.040 -0.000 3/21168 1000.0 0.326 0.272 0.293 -0.000 0.039 -0.000 3/21168 Thermal conductivity related properties were written into "kappa-m778.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:59:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|